A0A087Y7L0_POEFO Loading...

Thrombospondin-2

AlphaFold DB , UniProt , Accession A0A087Y7L0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,185 aa.

						>A0A087Y7L0_POEFO|A0A087Y7L0
MILRRSLLFLLFISTFHQVTPQDGEQEDETSFDLFEISHITRKTLGAKQFRGQYSDLPAYRFIRFDHLPPVSAPILKQILQQIQNNEGFVFIASIRQDRSSRGTLIGLEGPDGRRQFEIVSNGRANTLDLVYWVDGSQNVVSFEDVDLADSQWKNITLHIHGENANLFVGCSLIDSFILDEPFYEHLQADGSRMYVAKGSIRENHFRGLIQNVRFIFDTSVEDVLLSRDCEVTRLDDDNGLRESAEIVDVSPSITTNIIGPKTDDLGADMCERSCEELSTMFQELKGLRVVVSNLIDGLQKVTEENTVMKEALGRMKDTKEKNMCWQDGRLFDDKEDWVVDSCTKCKCQESKIVCHQITCPPVACASPSLIDGECCPVCMPKDSEDGWSPWSEWTECTVTCGIGTQQRGRSCDATSNPCTGPSIQTRKCSLGKCDSRVRQDGGWSLWSPWSSCSVTCGEGQITRIRHCNAPVPQLGGKDCEGSGRETQSCTAKPCPIDGGWGPWSPWATCSATCGGGIKSRSRECNSPQPQYGGKKCIGEATDSDSCNKEDCPIDGCLSNPCFGGVDCSSSADGSWECGPCPAGFRGNGTHCEDINECDMVSDVCYKVGGAQRCVNTDPGFHCLPCPKRYKGTQPFGMGVEAARKNKQVCEPENPCKEKTHNCHKYAECIYISHFSDPMYKCECRTGYAGDGFLCGEDSDLDGWPNQNLVCSANSTYHCKKDNCPNLPNSGQEDFDKDGQGDACDKDDDNDGIMDERDNCPLLYNPRQFDFDKDEVGDRCDNCPYEHNPAQIDTDHNGEGDACAVDIDGDEIQNENDNCPYVYNTDQKDTDMDGVGDQCDNCPLLHNPDQTDVDNDLVGDQCDNNQDIDEDGHQNNLDNCPYVANANQADHDKDGKGDACDYDDDNDGIADDKDNCRLTPNPDQEDADGDGRGDACKDDFDNDSIPDILDVCPENNAISITDFRKFQMVHLDPKGTTQIDPNWVVRHQGKELVQTANSDPGIAVGFDEFNAVDFSGTMYVNTDRDDDYAGFVFGYQSSGRFYVVMWKQITQTYWEDKPSKAFGISGVSLKVVNSTTGTGENLRNALWHTGNTAGQVRTLWHDPKNIGWKDYTAYRWHLIHRPKTGFIRVVVYEGKQIMADSGPVYDKTFAGGRLGLFVFSQELVFFSDLKYECRDKPEFPTVFIR
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	33.3	Very low	30.1	Very low	226 Å²	226	152.9 Å²	152.9	100%	1.113	74%	0.737	S	S	*	*				0	132.3	0	-83.1	162.3	160.8	0	0	107.5
2	I	30.2	Very low	29.8	Very low	148 Å²	148	157.4 Å²	157.4	76%	0.759	75%	0.751	S	S	*	*				66.7	115.1	66.6	-65.7	172.9	0	0	0	109
3	L	28.5	Very low	29.8	Very low	137 Å²	137	155.4 Å²	155.4	72%	0.717	75%	0.745	S	S	*	*			cis	-157.3	151.2	3.2	-149.5	77.2	0	0	0	112.5
4	R	27.4	Very low	29.5	Very low	200 Å²	200	152.7 Å²	152.7	76%	0.755	75%	0.751	S	S	*	*			trans	33.7	133.1	140.7	-75.8	178.2	178.4	-173.7	-1.3	121.4
5	R	33.6	Very low	29.3	Very low	221 Å²	221	150.2 Å²	150.2	83%	0.834	75%	0.748	S	S	*	*				57.2	145.6	78.1	-76.8	-168.2	-177.9	-172.1	-0.6	113.5
6	S	32.8	Very low	29	Very low	82 Å²	82	151.6 Å²	151.6	57%	0.573	75%	0.748	S	S	*	*			cis	-159	-167.7	0.7	-100	0	0	0	0	106.9
7	L	32.3	Very low	28.6	Very low	136 Å²	136	151.2 Å²	151.2	71%	0.712	74%	0.744	S	S	*	*			cis	-141.6	158.9	30.4	-94.6	89.2	0	0	0	109.8
8	L	31.3	Very low	28.7	Very low	125 Å²	125	152.1 Å²	152.1	65%	0.654	75%	0.746	S	S	*	*				53.2	142.5	79.3	-69.5	80.1	0	0	0	114.1
9	F	27.4	Very low	28.4	Very low	172 Å²	172	151.4 Å²	151.4	75%	0.754	75%	0.751	S	S	*	*			cis	-129.6	171.5	30.6	-96.2	-125.2	0	0	0	112.2
10	L	26.7	Very low	28.4	Very low	111 Å²	111	150.3 Å²	150.3	58%	0.581	75%	0.753	S	S	*	*			cis	164	104.1	-18.9	-167.2	151.1	0	0	0	103.1
11	L	28	Very low	29	Very low	124 Å²	124	148.8 Å²	148.8	65%	0.649	75%	0.754	S	S	*	*				64.9	125.7	99.8	-110.3	169.1	0	0	0	116.1	I13	L11-I13 HydrophobicContact CD2-CD1 3.96Å; L11-I13 HydrophobicContact CD2-CG1 3.7Å
12	F	26.4	Very low	28.7	Very low	207 Å²	207	146.9 Å²	146.9	91%	0.908	74%	0.742	S	S	*	*			trans	-141.5	153.8	151.7	-125.3	-86.9	0	0	0	109.5
13	I	29.8	Very low	28.8	Very low	131 Å²	131	147.6 Å²	147.6	67%	0.672	75%	0.747	S	S	*	*			trans	-137.7	134.8	-169.8	-60.8	169.6	0	0	0	109.8	L11	L11-I13 HydrophobicContact CD2-CD1 3.96Å; L11-I13 HydrophobicContact CD2-CG1 3.7Å
14	S	24.9	Very low	28.8	Very low	118 Å²	118	144.2 Å²	144.2	83%	0.825	75%	0.746	S	S	*	*			trans	-161.6	169.9	152.2	51.1	0	0	0	0	109.9
15	T	26.4	Very low	29	Very low	115 Å²	115	143.9 Å²	143.9	71%	0.706	75%	0.753	S	S	*	*			trans	-143.4	165.2	-157.6	47.7	0	0	0	0	114.7
16	F	24.5	Very low	29.2	Very low	173 Å²	173	139.9 Å²	139.9	76%	0.759	74%	0.744	S	S	*	*			trans	94	131.7	157.2	-83.8	-75.6	0	0	0	122.8
17	H	22.9	Very low	29.6	Very low	145 Å²	145	144.7 Å²	144.7	67%	0.671	76%	0.757	S	S	*	*			trans	72.9	104.9	154.9	-72.6	-55.3	0	0	0	123.1
18	Q	30.7	Very low	30.5	Very low	167 Å²	167	143.5 Å²	143.5	78%	0.78	75%	0.751	S	S	*	*				44.2	112.7	129.7	-71.4	176.7	-78	0	0	120.7
19	V	22.4	Very low	32	Very low	139 Å²	139	143.6 Å²	143.6	84%	0.842	75%	0.748	S	S	*	*			trans	-135.6	144.7	132.9	179.9	0	0	0	0	108.2
20	T	27.7	Very low	34.4	Very low	128 Å²	128	138 Å²	138	79%	0.785	73%	0.729	S	S	*	*			trans	-147.4	149.7	165.1	48.6	0	0	0	0	108.7
21	P	42.5	Very low	37.3	Very low	119 Å²	119	134.6 Å²	134.6	77%	0.773	71%	0.714	S	S	*	*			cis	-108.5	-177.6	-27.1	39.6	-28.2	0	0	0	110.3
22	Q	25.5	Very low	40.3	Very low	187 Å²	187	129 Å²	129	87%	0.874	68%	0.684	S	S	*	*			trans	-151.3	137.7	152.2	-155.3	166.8	4.2	0	0	108.4
23	D	33.4	Very low	43.4	Very low	162 Å²	162	120.6 Å²	120.6	87%	0.866	65%	0.649	S	S	*	*			trans	-65.1	140.1	-174.7	-52.4	-75.2	0	0	0	111.7
24	G	27.2	Very low	46.2	Very low	67 Å²	67	114.4 Å²	114.4	69%	0.691	62%	0.617	S	S	*	*			trans	-130.9	128.2	161.4	0	0	0	0	0	106.2	Q26	G24-Q26 PolarHBondContact O-N 3.41Å
25	E	33	Very low	49.3	Very low	193 Å²	193	109.2 Å²	109.2	90%	0.902	58%	0.58	S	S	*	*			trans	-57.7	125.2	-172.7	-69.7	144.1	135.2	0	0	110.4	E27	E25-E27 PolarHBondContact O-N 3.31Å
26	Q	36.6	Very low	52.2	Low	136 Å²	136	110.9 Å²	110.9	64%	0.636	58%	0.58	S	S	*	*			trans	-84.7	105.3	170.4	-175.4	178.3	-55.8	0	0	106.1	G24 D28	G24-Q26 PolarHBondContact O-N 3.41Å; Q26-D28 PolarHBondContact O-N 2.98Å
27	E	41.4	Very low	55.2	Low	184 Å²	184	103.6 Å²	103.6	86%	0.86	55%	0.548	S	S	*	.			trans	-61.2	120.4	171.9	-66.1	177.8	138.6	0	0	108.3	E25 E29	E25-E27 PolarHBondContact O-N 3.31Å; E27-E29 PolarHBondContact O-N 3.25Å
28	D	51.3	Low	58.3	Low	110 Å²	110	96.9 Å²	96.9	59%	0.588	52%	0.518	S	S	*	.			trans	-72.3	100.8	178.4	-75	-53.6	0	0	0	109.6	Q26 T30	Q26-D28 PolarHBondContact O-N 2.98Å; D28-T30 WeakPolarHBondContact O-CG2 3.11Å; D28-T30 PolarHBondContact O-N 3.09Å; D28-T30 VanDerWaalsContact O-N 3.1Å
29	E	62.9	Low	60.9	Low	127 Å²	127	95.8 Å²	95.8	59%	0.593	51%	0.512	S	S	*	.			trans	-75.9	94.9	-176.5	-170.4	169.8	-134.5	0	0	110.1	E27 S31 F32	E27-E29 PolarHBondContact O-N 3.25Å; E29-S31 PolarHBondContact O-N 3.43Å; E29-S31 VanDerWaalsContact O-N 3.14Å; E29-F32 WeakPolarHBondContact O-CE2 3.01Å; E29-F32 WeakPolarHBondContact O-CZ 3.02Å
30	T	78.4	Confident	64.1	Low	56 Å²	56	89.4 Å²	89.4	34%	0.344	47%	0.473	S	S	.	.			trans	-72.6	-2.2	-170.8	67.3	0	0	0	0	115.1	D28 F217 D218	D28-T30 WeakPolarHBondContact O-CG2 3.11Å; D28-T30 PolarHBondContact O-N 3.09Å; D28-T30 VanDerWaalsContact O-N 3.1Å; T30-F217 PolarHBondContact O-N 2.84Å; T30-D218 HydrophobicContact CG2-CB 3.93Å; T30-D218 WeakPolarHBondContact CG2-OD2 3.34Å
31	S	87	Confident	66.8	Low	39 Å²	39	86.2 Å²	86.2	27%	0.273	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	131.8	177.2	-173.6	0	0	0	0	113.3	E29 F215	E29-S31 PolarHBondContact O-N 3.43Å; E29-S31 VanDerWaalsContact O-N 3.14Å; S31-F215 WeakPolarHBondContact CA-O 3.33Å; S31-F215 PolarHBondContact OG-O 3.46Å
32	F	91.7	Very high	68.7	Low	6 Å²	6	89.8 Å²	89.8	3%	0.026	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	104.1	-171.1	-65	-87	0	0	0	111.6	E29 L34 I37 I75 I79 R214 F215 F217	E29-F32 WeakPolarHBondContact O-CE2 3.01Å; E29-F32 WeakPolarHBondContact O-CZ 3.02Å; F32-L34 PolarHBondContact O-N 3.29Å; F32-I37 HydrophobicContact CB-CD1 3.57Å; F32-I37 HydrophobicContact CD1-CD1 3.79Å; F32-I37 HydrophobicContact CG-CD1 4.18Å; F32-I75 HydrophobicContact CD1-CG2 3.76Å; F32-I75 HydrophobicContact CE1-CG2 3.91Å; F32-I79 HydrophobicContact CB-CD1 3.93Å; F32-I79 HydrophobicContact CB-CG1 4.1Å; F32-I79 HydrophobicContact CD1-CD1 4.06Å; F32-I79 HydrophobicContact CD1-CG1 3.75Å; F32-I79 HydrophobicContact CD2-CG1 3.84Å; F32-I79 HydrophobicContact CE1-CG1 4.08Å; F32-I79 HydrophobicContact CE2-CG1 4.14Å; F32-I79 HydrophobicContact CG-CD1 3.95Å; F32-I79 HydrophobicContact CG-CG1 3.61Å; F32-I79 HydrophobicContact CZ-CG1 4.26Å; F32-R214 VanDerWaalsContact O-CA 3.24Å; F32-R214 WeakPolarHBondContact O-CA 3.42Å; F32-R214 WeakPolarHBondContact O-CB 3.44Å; F32-F215 PolarHBondContact N-O 3.48Å; F32-F215 PolarHBondContact O-N 2.99Å; F32-F217 AromaticContact CD2-CD2 3.85Å; F32-F217 HydrophobicContact CD2-CD2 3.85Å; F32-F217 AromaticContact CD2-CE2 3.63Å; F32-F217 HydrophobicContact CD2-CE2 3.63Å; F32-F217 AromaticContact CE2-CD2 3.77Å; F32-F217 HydrophobicContact CE2-CD2 3.77Å; F32-F217 AromaticContact CE2-CE2 3.77Å; F32-F217 HydrophobicContact CE2-CE2 3.77Å
33	D	90.3	Very high	71.3	Confident	31 Å²	31	89.5 Å²	89.5	17%	0.166	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	114.8	173	-173.9	-64.9	0	0	0	111.4	F35 E36 I37 R214	D33-F35 VanDerWaalsContact C-N 3.31Å; D33-F35 PolarHBondContact O-N 3Å; D33-F35 WeakPolarHBondContact OD1-CA 3.06Å; D33-F35 WeakPolarHBondContact OD1-CB 3.38Å; D33-F35 PolarHBondContact OD1-N 3.19Å; D33-E36 HydrophobicContact CB-CB 4.31Å; D33-E36 PolarHBondContact O-N 3.41Å; D33-E36 PolarHBondContact OD1-N 3.45Å; D33-I37 WeakPolarHBondContact O-CD1 3.01Å; D33-I37 VanDerWaalsContact O-CG1 3.26Å; D33-I37 WeakPolarHBondContact O-CG1 3.32Å; D33-I37 PolarHBondContact O-N 2.8Å; D33-R214 HydrophobicContact CB-CG 4.34Å
34	L	89.8	Confident	73.8	Confident	0 Å²	0	82.9 Å²	82.9	0%	0	41%	0.413	C	S	.	.	H	α-helix	trans	-75.4	-16.5	-172	-58.9	-173.8	0	0	0	113.6	F32 S38 V71 I79 I106 M194 V196 V213 F215	F32-L34 PolarHBondContact O-N 3.29Å; L34-S38 VanDerWaalsContact O-CB 3.28Å; L34-S38 WeakPolarHBondContact O-CB 3.4Å; L34-S38 PolarHBondContact O-N 3.45Å; L34-S38 PolarHBondContact O-OG 2.61Å; L34-V71 HydrophobicContact CD2-CG2 4.22Å; L34-I79 HydrophobicContact CD2-CD1 4.11Å; L34-I106 HydrophobicContact CD1-CD1 3.37Å; L34-I106 HydrophobicContact CD1-CG1 4.21Å; L34-M194 HydrophobicContact CD1-SD 4.14Å; L34-M194 HydrophobicContact CD2-SD 4.47Å; L34-V196 HydrophobicContact CB-CG2 3.71Å; L34-V196 HydrophobicContact CD1-CG2 4.14Å; L34-V213 HydrophobicContact CB-CG1 4.34Å; L34-V213 HydrophobicContact CD1-CG1 4.05Å; L34-V213 HydrophobicContact CG-CG1 4.48Å; L34-V213 PolarHBondContact N-O 2.99Å; L34-F215 HydrophobicContact CD1-CD2 4.02Å; L34-F215 HydrophobicContact CD1-CE2 3.74Å; L34-F215 HydrophobicContact CD2-CD2 4.16Å; L34-F215 HydrophobicContact CD2-CE2 4.46Å; L34-F215 HydrophobicContact CG-CD2 4.41Å
35	F	90.1	Very high	76.3	Confident	9 Å²	9	84.3 Å²	84.3	4%	0.039	40%	0.404	C	S	.	.	H	α-helix	trans	-78.7	-37.3	171.6	-65.5	-37.5	0	0	0	111.6	D33 H39 I40 Y60 F62 V196 I210 V213	D33-F35 VanDerWaalsContact C-N 3.31Å; D33-F35 PolarHBondContact O-N 3Å; D33-F35 WeakPolarHBondContact OD1-CA 3.06Å; D33-F35 WeakPolarHBondContact OD1-CB 3.38Å; D33-F35 PolarHBondContact OD1-N 3.19Å; F35-H39 PolarHBondContact O-N 3.33Å; F35-I40 HydrophobicContact CB-CB 4.34Å; F35-I40 HydrophobicContact CD1-CB 4.11Å; F35-I40 HydrophobicContact CD1-CD1 4.02Å; F35-I40 HydrophobicContact CD1-CG2 4.04Å; F35-I40 HydrophobicContact CE1-CD1 4.48Å; F35-I40 PolarHBondContact O-N 3.27Å; F35-Y60 HydrophobicContact CB-CE2 4.49Å; F35-Y60 HydrophobicContact CD1-CD2 4.36Å; F35-Y60 HydrophobicContact CD2-CD2 4.01Å; F35-Y60 HydrophobicContact CD2-CE2 4.16Å; F35-Y60 HydrophobicContact CE1-CD2 4.34Å; F35-Y60 AromaticContact CE2-CD2 3.98Å; F35-Y60 HydrophobicContact CE2-CD2 3.98Å; F35-Y60 HydrophobicContact CG-CD2 4.2Å; F35-Y60 HydrophobicContact CG-CE2 4.24Å; F35-Y60 HydrophobicContact CZ-CD2 4.14Å; F35-F62 HydrophobicContact CE1-CE2 4.3Å; F35-F62 AromaticContact CE1-CZ 3.76Å; F35-F62 HydrophobicContact CE1-CZ 3.76Å; F35-F62 HydrophobicContact CZ-CZ 4.33Å; F35-V196 HydrophobicContact CE1-CB 4.47Å; F35-V196 HydrophobicContact CE1-CG1 3.77Å; F35-V196 HydrophobicContact CZ-CG1 4.49Å; F35-I210 HydrophobicContact CZ-CB 4.15Å; F35-I210 HydrophobicContact CZ-CG2 3.87Å; F35-V213 HydrophobicContact CE1-CG2 4.2Å; F35-V213 HydrophobicContact CE2-CB 4.4Å; F35-V213 HydrophobicContact CE2-CG2 3.77Å; F35-V213 HydrophobicContact CZ-CB 4.37Å; F35-V213 HydrophobicContact CZ-CG2 3.56Å
36	E	86.3	Confident	78.5	Confident	151 Å²	151	75.7 Å²	75.7	71%	0.706	37%	0.367	S	S	*	.	H	α-helix	trans	-67.3	-50.2	174.2	-178.1	137.2	-143.4	0	0	111.2	D33 S38 H39	D33-E36 HydrophobicContact CB-CB 4.31Å; D33-E36 PolarHBondContact O-N 3.41Å; D33-E36 PolarHBondContact OD1-N 3.45Å; E36-S38 VanDerWaalsContact C-N 3.34Å; E36-S38 PolarHBondContact O-N 2.95Å; E36-H39 WeakPolarHBondContact O-CA 3.2Å; E36-H39 PolarHBondContact O-N 2.88Å; E36-H39 PolarHBondContact O-ND1 3.42Å
37	I	88.6	Confident	80.9	Confident	19 Å²	19	69.8 Å²	69.8	10%	0.097	34%	0.342	C	S	.	.	H	α-helix	trans	-68.2	-29.6	-175.5	-62.9	160.8	0	0	0	112.9	F32 D33 V71 I75	F32-I37 HydrophobicContact CB-CD1 3.57Å; F32-I37 HydrophobicContact CD1-CD1 3.79Å; F32-I37 HydrophobicContact CG-CD1 4.18Å; D33-I37 WeakPolarHBondContact O-CD1 3.01Å; D33-I37 VanDerWaalsContact O-CG1 3.26Å; D33-I37 WeakPolarHBondContact O-CG1 3.32Å; D33-I37 PolarHBondContact O-N 2.8Å; I37-V71 HydrophobicContact CG2-CG1 3.67Å; I37-I75 HydrophobicContact CD1-CG2 3.96Å; I37-I75 HydrophobicContact CG1-CG2 4.32Å; I37-I75 HydrophobicContact CG2-CB 3.9Å; I37-I75 HydrophobicContact CG2-CD1 3.94Å; I37-I75 HydrophobicContact CG2-CG2 3.69Å
38	S	86.6	Confident	83.1	Confident	5 Å²	5	66.5 Å²	66.5	4%	0.035	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-2.7	171	65.7	0	0	0	0	113.6	L34 E36 I40 P69	L34-S38 VanDerWaalsContact O-CB 3.28Å; L34-S38 WeakPolarHBondContact O-CB 3.4Å; L34-S38 PolarHBondContact O-N 3.45Å; L34-S38 PolarHBondContact O-OG 2.61Å; E36-S38 VanDerWaalsContact C-N 3.34Å; E36-S38 PolarHBondContact O-N 2.95Å; S38-I40 VanDerWaalsContact C-N 3.31Å; S38-I40 PolarHBondContact O-N 3.45Å; S38-I40 VanDerWaalsContact OG-CD1 3.29Å; S38-I40 WeakPolarHBondContact OG-CD1 3.26Å; S38-I40 VanDerWaalsContact OG-CG1 3.31Å; S38-I40 WeakPolarHBondContact OG-CG1 3.39Å; S38-P69 WeakPolarHBondContact O-CB 3.44Å; S38-P69 WeakPolarHBondContact O-CG 3.47Å
39	H	86.9	Confident	84.9	Confident	143 Å²	143	65.2 Å²	65.2	66%	0.662	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	39.2	-175.2	-52.6	-22.4	0	0	0	113.7	F35 E36 T41 T44	F35-H39 PolarHBondContact O-N 3.33Å; E36-H39 WeakPolarHBondContact O-CA 3.2Å; E36-H39 PolarHBondContact O-N 2.88Å; E36-H39 PolarHBondContact O-ND1 3.42Å; H39-T41 PolarHBondContact O-N 3.49Å; H39-T44 PolarHBondContact O-OG1 2.81Å
40	I	88.4	Confident	86	Confident	5 Å²	5	63 Å²	63	3%	0.026	30%	0.304	C	S	.	.			trans	-74.6	110.7	172.4	-73	170.9	0	0	0	109.4	F35 S38 T44 A47 Y60 F62 P69	F35-I40 HydrophobicContact CB-CB 4.34Å; F35-I40 HydrophobicContact CD1-CB 4.11Å; F35-I40 HydrophobicContact CD1-CD1 4.02Å; F35-I40 HydrophobicContact CD1-CG2 4.04Å; F35-I40 HydrophobicContact CE1-CD1 4.48Å; F35-I40 PolarHBondContact O-N 3.27Å; S38-I40 VanDerWaalsContact C-N 3.31Å; S38-I40 PolarHBondContact O-N 3.45Å; S38-I40 VanDerWaalsContact OG-CD1 3.29Å; S38-I40 WeakPolarHBondContact OG-CD1 3.26Å; S38-I40 VanDerWaalsContact OG-CG1 3.31Å; S38-I40 WeakPolarHBondContact OG-CG1 3.39Å; I40-T44 HydrophobicContact CG1-CG2 4.41Å; I40-A47 HydrophobicContact CG2-CB 4.19Å; I40-Y60 HydrophobicContact CG2-CD1 4.2Å; I40-Y60 HydrophobicContact CG2-CD2 3.89Å; I40-Y60 HydrophobicContact CG2-CE1 4.26Å; I40-Y60 HydrophobicContact CG2-CE2 3.93Å; I40-Y60 HydrophobicContact CG2-CG 4.03Å; I40-Y60 PolarHBondContact O-OH 3.04Å; I40-Y60 VanDerWaalsContact O-OH 3.1Å; I40-F62 HydrophobicContact CD1-CE1 4.16Å; I40-F62 HydrophobicContact CD1-CZ 4.39Å; I40-F62 HydrophobicContact CG2-CE1 4.08Å; I40-F62 HydrophobicContact CG2-CZ 4.29Å; I40-P69 HydrophobicContact CG1-CG 3.96Å
41	T	85.4	Confident	86.1	Confident	61 Å²	61	70 Å²	70	37%	0.374	32%	0.324	S	S	.	.			trans	-132.1	171.7	-178.4	70.3	0	0	0	0	110.8	H39 K43 T44 Y60	H39-T41 PolarHBondContact O-N 3.49Å; T41-K43 PolarHBondContact O-N 2.73Å; T41-K43 PolarHBondContact OG1-N 3.21Å; T41-T44 PolarHBondContact N-OG1 2.8Å; T41-T44 WeakPolarHBondContact O-CB 3.29Å; T41-T44 PolarHBondContact O-N 3.32Å; T41-T44 PolarHBondContact O-OG1 2.8Å; T41-T44 PolarHBondContact OG1-OG1 2.67Å; T41-Y60 WeakPolarHBondContact CA-OH 3.47Å
42	R	81.9	Confident	85.6	Confident	194 Å²	194	68.8 Å²	68.8	73%	0.732	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-6.7	168.1	64.1	177.4	177.4	164	-3.2	116.4	Q49	R42-Q49 HydrophobicContact CB-CB 4.04Å
43	K	80.5	Confident	85.1	Confident	182 Å²	182	72.3 Å²	72.3	79%	0.791	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.7	-12	174.4	-64.3	-179.2	-178.3	173.4	0	113.1	T41 L45	T41-K43 PolarHBondContact O-N 2.73Å; T41-K43 PolarHBondContact OG1-N 3.21Å; K43-L45 PolarHBondContact O-N 2.67Å
44	T	85.9	Confident	84.4	Confident	22 Å²	22	74.6 Å²	74.6	14%	0.135	34%	0.341	C	S	.	.	S	Bend	trans	-70.9	123.7	-173.3	-56.6	0	0	0	0	110.2	H39 I40 T41 G46 A47 P69	H39-T44 PolarHBondContact O-OG1 2.81Å; I40-T44 HydrophobicContact CG1-CG2 4.41Å; T41-T44 PolarHBondContact N-OG1 2.8Å; T41-T44 WeakPolarHBondContact O-CB 3.29Å; T41-T44 PolarHBondContact O-N 3.32Å; T41-T44 PolarHBondContact O-OG1 2.8Å; T41-T44 PolarHBondContact OG1-OG1 2.67Å; T44-G46 PolarHBondContact O-N 3.39Å; T44-A47 PolarHBondContact O-N 2.87Å; T44-A47 VanDerWaalsContact O-N 3.1Å; T44-P69 HydrophobicContact CG2-CG 4.04Å
45	L	79.3	Confident	83.4	Confident	97 Å²	97	78 Å²	78	51%	0.508	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	102.5	-168.6	-174.9	65.2	0	0	0	110.7	K43 H67	K43-L45 PolarHBondContact O-N 2.67Å; L45-H67 WeakPolarHBondContact O-CB 3.32Å
46	G	78.9	Confident	82.7	Confident	12 Å²	12	84.7 Å²	84.7	12%	0.124	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	118.7	-12.1	-177.1	0	0	0	0	0	114	T44 F62 I63 R64	T44-G46 PolarHBondContact O-N 3.39Å; G46-F62 CarbonylContact O-C 3.49Å; G46-F62 WeakPolarHBondContact O-CA 3.08Å; G46-I63 PolarHBondContact O-N 3.26Å; G46-R64 PolarHBondContact O-N 3.26Å
47	A	87.9	Confident	82.5	Confident	13 Å²	13	80.2 Å²	80.2	11%	0.107	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	145.4	167.6	0	0	0	0	0	110.7	I40 T44 Y60 F62	I40-A47 HydrophobicContact CG2-CB 4.19Å; T44-A47 PolarHBondContact O-N 2.87Å; T44-A47 VanDerWaalsContact O-N 3.1Å; A47-Y60 HydrophobicContact CB-CD1 4.3Å; A47-F62 HydrophobicContact CB-CD1 3.79Å; A47-F62 HydrophobicContact CB-CE1 3.66Å
48	K	87.6	Confident	82.2	Confident	114 Å²	114	81.4 Å²	81.4	50%	0.496	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	123	171.9	-176.8	177.1	175	-177.3	0	109.4	F50 Y60 R61 I63	K48-F50 HydrophobicContact CB-CE2 4.08Å; K48-F50 HydrophobicContact CD-CE2 3.72Å; K48-F50 HydrophobicContact CD-CZ 3.89Å; K48-F50 HydrophobicContact CG-CD2 4.32Å; K48-F50 HydrophobicContact CG-CE2 3.7Å; K48-F50 HydrophobicContact CG-CZ 4.32Å; K48-F50 WeakPolarHBondContact O-CD2 3.21Å; K48-Y60 WeakPolarHBondContact O-CA 3.22Å; K48-R61 PolarHBondContact N-O 3.46Å; K48-R61 PolarHBondContact O-N 3Å; K48-I63 HydrophobicContact CB-CD1 4Å; K48-I63 HydrophobicContact CD-CD1 4.36Å
49	Q	88.4	Confident	82.4	Confident	84 Å²	84	81.1 Å²	81.1	39%	0.393	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	140.3	179	-164.1	-176.6	-7.4	0	0	111.3	R42 P58 A59 Y60	R42-Q49 HydrophobicContact CB-CB 4.04Å; Q49-P58 HydrophobicContact CG-CB 4.2Å; Q49-A59 CarbonylContact C-O 3.42Å; Q49-A59 WeakPolarHBondContact CA-O 3.28Å; Q49-Y60 HydrophobicContact CB-CD1 4.02Å; Q49-Y60 HydrophobicContact CB-CE1 3.7Å; Q49-Y60 HydrophobicContact CG-CD1 4.34Å; Q49-Y60 HydrophobicContact CG-CE1 3.85Å
50	F	86.9	Confident	82.6	Confident	81 Å²	81	74.9 Å²	74.9	36%	0.355	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	172.7	171.5	-73.3	-97.1	0	0	0	109.6	K48 A59 R61 L209	K48-F50 HydrophobicContact CB-CE2 4.08Å; K48-F50 HydrophobicContact CD-CE2 3.72Å; K48-F50 HydrophobicContact CD-CZ 3.89Å; K48-F50 HydrophobicContact CG-CD2 4.32Å; K48-F50 HydrophobicContact CG-CE2 3.7Å; K48-F50 HydrophobicContact CG-CZ 4.32Å; K48-F50 WeakPolarHBondContact O-CD2 3.21Å; F50-A59 PolarHBondContact N-O 3.26Å; F50-A59 PolarHBondContact O-N 3.19Å; F50-R61 HydrophobicContact CD2-CB 4.07Å; F50-R61 HydrophobicContact CE2-CB 3.82Å; F50-L209 HydrophobicContact CB-CD2 3.78Å; F50-L209 HydrophobicContact CD2-CD2 3.7Å; F50-L209 HydrophobicContact CG-CD2 3.87Å
51	R	79.5	Confident	82.8	Confident	203 Å²	203	78.5 Å²	78.5	77%	0.766	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	130	167.9	-171.1	176.3	-175	175.8	1.3	108.6
52	G	77.8	Confident	82.9	Confident	13 Å²	13	76.1 Å²	76.1	13%	0.134	36%	0.357	C	S	.	.			trans	-88.4	-164.6	-178.9	0	0	0	0	0	114.2
53	Q	79.8	Confident	82.9	Confident	80 Å²	80	71.8 Å²	71.8	37%	0.374	35%	0.347	S	S	.	.	S	Bend	trans	-65.3	-56.4	168	178.4	179	1.7	0	0	109.7	W153	Q53-W153 HydrophobicContact CB-CB 4.37Å; Q53-W153 HydrophobicContact CB-CD2 3.78Å; Q53-W153 HydrophobicContact CB-CE3 4.21Å; Q53-W153 HydrophobicContact CB-CG 3.85Å; Q53-W153 HydrophobicContact CG-CB 4.36Å; Q53-W153 HydrophobicContact CG-CG 4.33Å
54	Y	76	Confident	83	Confident	78 Å²	78	69.4 Å²	69.4	31%	0.306	33%	0.334	S	S	.	.	S	Bend	trans	-76.1	134.1	170.9	-57.1	-84	0	0	0	109.2	D56 N155 Q211	Y54-D56 VanDerWaalsContact C-N 3.3Å; Y54-D56 PolarHBondContact O-N 3.12Å; Y54-N155 PolarHBondContact OH-ND2 2.03Å; Y54-Q211 PolarHBondContact O-NE2 2.97Å
55	S	68.8	Low	82.8	Confident	72 Å²	72	69.8 Å²	69.8	50%	0.503	33%	0.334	S	S	.	.	S	Bend	trans	-70.7	-27.4	-175.6	47.4	0	0	0	0	113.9
56	D	75.7	Confident	82.8	Confident	149 Å²	149	70.8 Å²	70.8	80%	0.797	34%	0.339	S	S	*	.	S	Bend	trans	-102.8	-14.1	-161.5	-55.2	-9.6	0	0	0	112.1	Y54	Y54-D56 VanDerWaalsContact C-N 3.3Å; Y54-D56 PolarHBondContact O-N 3.12Å
57	L	81.6	Confident	82.9	Confident	57 Å²	57	74.9 Å²	74.9	30%	0.298	36%	0.355	S	S	.	.	S	Bend	trans	-99.8	144.4	173.3	-63.8	177.4	0	0	0	111.1	Q211 N212	L57-Q211 HydrophobicContact CB-CG 4.13Å; L57-Q211 PolarHBondContact O-NE2 3.15Å; L57-N212 HydrophobicContact CD1-CB 3.94Å
58	P	83.3	Confident	82.8	Confident	44 Å²	44	74.7 Å²	74.7	29%	0.286	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	135.3	176.8	32	-35.1	0	0	0	112	Q49 Y60	Q49-P58 HydrophobicContact CG-CB 4.2Å; P58-Y60 HydrophobicContact CB-CE2 3.74Å; P58-Y60 HydrophobicContact CG-CE2 3.85Å
59	A	90.2	Very high	82.8	Confident	0 Å²	0	71 Å²	71	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	145.1	166.3	0	0	0	0	0	110.7	Q49 F50 W153 I210 Q211	Q49-A59 CarbonylContact C-O 3.42Å; Q49-A59 WeakPolarHBondContact CA-O 3.28Å; F50-A59 PolarHBondContact N-O 3.26Å; F50-A59 PolarHBondContact O-N 3.19Å; A59-W153 HydrophobicContact CB-CH2 3.98Å; A59-W153 HydrophobicContact CB-CZ2 4.42Å; A59-I210 CarbonylContact C-O 3.5Å; A59-I210 WeakPolarHBondContact CA-O 3.31Å; A59-Q211 HydrophobicContact CB-CB 4.05Å; A59-Q211 HydrophobicContact CB-CG 4.37Å
60	Y	91.9	Very high	82.9	Confident	12 Å²	12	69.2 Å²	69.2	5%	0.047	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	136.6	-177.8	-65.6	-75	0	0	0	112.3	F35 I40 T41 A47 K48 Q49 P58 F62 L209 I210	F35-Y60 HydrophobicContact CB-CE2 4.49Å; F35-Y60 HydrophobicContact CD1-CD2 4.36Å; F35-Y60 HydrophobicContact CD2-CD2 4.01Å; F35-Y60 HydrophobicContact CD2-CE2 4.16Å; F35-Y60 HydrophobicContact CE1-CD2 4.34Å; F35-Y60 AromaticContact CE2-CD2 3.98Å; F35-Y60 HydrophobicContact CE2-CD2 3.98Å; F35-Y60 HydrophobicContact CG-CD2 4.2Å; F35-Y60 HydrophobicContact CG-CE2 4.24Å; F35-Y60 HydrophobicContact CZ-CD2 4.14Å; I40-Y60 HydrophobicContact CG2-CD1 4.2Å; I40-Y60 HydrophobicContact CG2-CD2 3.89Å; I40-Y60 HydrophobicContact CG2-CE1 4.26Å; I40-Y60 HydrophobicContact CG2-CE2 3.93Å; I40-Y60 HydrophobicContact CG2-CG 4.03Å; I40-Y60 PolarHBondContact O-OH 3.04Å; I40-Y60 VanDerWaalsContact O-OH 3.1Å; T41-Y60 WeakPolarHBondContact CA-OH 3.47Å; A47-Y60 HydrophobicContact CB-CD1 4.3Å; K48-Y60 WeakPolarHBondContact O-CA 3.22Å; Q49-Y60 HydrophobicContact CB-CD1 4.02Å; Q49-Y60 HydrophobicContact CB-CE1 3.7Å; Q49-Y60 HydrophobicContact CG-CD1 4.34Å; Q49-Y60 HydrophobicContact CG-CE1 3.85Å; P58-Y60 HydrophobicContact CB-CE2 3.74Å; P58-Y60 HydrophobicContact CG-CE2 3.85Å; Y60-F62 HydrophobicContact CG-CZ 4.43Å; Y60-L209 WeakPolarHBondContact O-CA 3.1Å; Y60-I210 PolarHBondContact N-O 2.79Å; Y60-I210 PolarHBondContact O-N 3.41Å
61	R	90.6	Very high	83.1	Confident	81 Å²	81	65.6 Å²	65.6	31%	0.306	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129	162.7	169.5	164.5	-83.6	-174.4	-14.5	108.5	K48 F50 I63 D98 G208 L209	K48-R61 PolarHBondContact N-O 3.46Å; K48-R61 PolarHBondContact O-N 3Å; F50-R61 HydrophobicContact CD2-CB 4.07Å; F50-R61 HydrophobicContact CE2-CB 3.82Å; R61-I63 HydrophobicContact CG-CG1 4.32Å; R61-D98 IonicContact CZ-OD1 2.67Å; R61-D98 IonicContact CZ-OD2 2.87Å; R61-D98 IonicContact NH2-OD1 2.67Å; R61-D98 PolarHBondContact NH2-OD1 3.41Å; R61-D98 IonicContact NH2-OD2 2.8Å; R61-D98 PolarHBondContact NH2-OD2 2.93Å; R61-G208 WeakPolarHBondContact CB-O 3.04Å; R61-G208 WeakPolarHBondContact CG-O 3.4Å; R61-G208 PolarHBondContact NE-O 2.85Å; R61-L209 HydrophobicContact CB-CD2 3.76Å
62	F	88.9	Confident	83.3	Confident	11 Å²	11	57.8 Å²	57.8	5%	0.048	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	142.5	-179.2	-59.6	-76.9	0	0	0	110.7	F35 I40 G46 A47 Y60 F65 L68 A197 I210	F35-F62 HydrophobicContact CE1-CE2 4.3Å; F35-F62 AromaticContact CE1-CZ 3.76Å; F35-F62 HydrophobicContact CE1-CZ 3.76Å; F35-F62 HydrophobicContact CZ-CZ 4.33Å; I40-F62 HydrophobicContact CD1-CE1 4.16Å; I40-F62 HydrophobicContact CD1-CZ 4.39Å; I40-F62 HydrophobicContact CG2-CE1 4.08Å; I40-F62 HydrophobicContact CG2-CZ 4.29Å; G46-F62 CarbonylContact O-C 3.49Å; G46-F62 WeakPolarHBondContact O-CA 3.08Å; A47-F62 HydrophobicContact CB-CD1 3.79Å; A47-F62 HydrophobicContact CB-CE1 3.66Å; Y60-F62 HydrophobicContact CG-CZ 4.43Å; F62-F65 HydrophobicContact CB-CD1 3.87Å; F62-F65 HydrophobicContact CB-CE1 3.38Å; F62-F65 HydrophobicContact CB-CZ 4.12Å; F62-L68 HydrophobicContact CB-CD1 4.43Å; F62-L68 HydrophobicContact CD1-CD1 3.75Å; F62-L68 HydrophobicContact CD1-CD2 3.64Å; F62-L68 HydrophobicContact CD1-CG 4.38Å; F62-L68 HydrophobicContact CE1-CD1 4.33Å; F62-L68 HydrophobicContact CE1-CD2 4.09Å; F62-L68 HydrophobicContact CG-CD1 4.22Å; F62-A197 HydrophobicContact CB-CB 4.33Å; F62-A197 HydrophobicContact CD1-CB 4.48Å; F62-A197 HydrophobicContact CD2-CB 3.28Å; F62-A197 HydrophobicContact CE2-CB 3.62Å; F62-A197 HydrophobicContact CG-CB 3.77Å; F62-A197 HydrophobicContact CZ-CB 4.35Å; F62-I210 HydrophobicContact CE2-CB 4.47Å; F62-I210 HydrophobicContact CE2-CD1 4.36Å
63	I	82.1	Confident	83.6	Confident	102 Å²	102	60.7 Å²	60.7	52%	0.523	32%	0.319	S	S	.	.	S	Bend	trans	-139.6	-30.1	-166.1	-49.9	179.3	0	0	0	111.7	G46 K48 R61	G46-I63 PolarHBondContact O-N 3.26Å; K48-I63 HydrophobicContact CB-CD1 4Å; K48-I63 HydrophobicContact CD-CD1 4.36Å; R61-I63 HydrophobicContact CG-CG1 4.32Å
64	R	81.5	Confident	83.9	Confident	133 Å²	133	61.1 Å²	61.1	50%	0.502	33%	0.329	S	S	.	.			trans	-135.8	92.8	172.6	-71.9	-162.8	-75.9	-172.8	-5.3	110.2	G46 H67	G46-R64 PolarHBondContact O-N 3.26Å; R64-H67 PolarHBondContact O-N 3.02Å
65	F	82.1	Confident	84.4	Confident	30 Å²	30	59.4 Å²	59.4	13%	0.132	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-73.1	-27.9	-168.3	-52.4	-89.2	0	0	0	112.9	F62 H67 L68 A197 K198 H205 F206	F62-F65 HydrophobicContact CB-CD1 3.87Å; F62-F65 HydrophobicContact CB-CE1 3.38Å; F62-F65 HydrophobicContact CB-CZ 4.12Å; F65-H67 PolarHBondContact O-N 2.93Å; F65-H67 VanDerWaalsContact O-N 3.09Å; F65-L68 HydrophobicContact CB-CD1 4.42Å; F65-L68 HydrophobicContact CD1-CD1 4.15Å; F65-L68 WeakPolarHBondContact O-CG 3.25Å; F65-L68 PolarHBondContact O-N 3.39Å; F65-A197 WeakPolarHBondContact CD1-O 3.44Å; F65-K198 HydrophobicContact CB-CG 4.47Å; F65-H205 HydrophobicContact CB-CB 4.41Å; F65-H205 VanDerWaalsContact CB-CD2 3.46Å; F65-H205 WeakPolarHBondContact CB-CD2 3.25Å; F65-H205 WeakPolarHBondContact CB-NE2 3.38Å; F65-H205 HydrophobicContact CD1-CB 3.62Å; F65-H205 AromaticContact CD1-CG 3.92Å; F65-H205 HydrophobicContact CD2-CB 3.69Å; F65-H205 AromaticContact CD2-CD2 3.21Å; F65-H205 WeakPolarHBondContact CD2-CD2 3.33Å; F65-H205 AromaticContact CD2-CG 3.67Å; F65-H205 HydrophobicContact CE1-CB 3.64Å; F65-H205 HydrophobicContact CE2-CB 3.74Å; F65-H205 AromaticContact CE2-CD2 3.98Å; F65-H205 HydrophobicContact CG-CB 3.63Å; F65-H205 AromaticContact CG-CD2 3.36Å; F65-H205 WeakPolarHBondContact CG-CD2 3.38Å; F65-H205 AromaticContact CG-CG 3.49Å; F65-H205 VanDerWaalsContact CG-CG 3.49Å; F65-H205 AromaticContact CG-NE2 3.97Å; F65-H205 HydrophobicContact CZ-CB 3.71Å; F65-F206 WeakPolarHBondContact CE1-O 3.34Å
66	D	80	Confident	85.4	Confident	118 Å²	118	56 Å²	56	63%	0.631	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-65.3	-12.6	177.5	-23.6	-93.3	0	0	0	113.6
67	H	81	Confident	86.1	Confident	97 Å²	97	52.5 Å²	52.5	45%	0.449	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-113.5	7.9	-175.1	-65.4	68.5	0	0	0	112.6	L45 R64 F65	L45-H67 WeakPolarHBondContact O-CB 3.32Å; R64-H67 PolarHBondContact O-N 3.02Å; F65-H67 PolarHBondContact O-N 2.93Å; F65-H67 VanDerWaalsContact O-N 3.09Å
68	L	85.9	Confident	86.5	Confident	9 Å²	9	53 Å²	53	5%	0.047	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-76.5	132.5	176.8	-57.6	-179.8	0	0	0	110.1	F62 F65 Y195 K198	F62-L68 HydrophobicContact CB-CD1 4.43Å; F62-L68 HydrophobicContact CD1-CD1 3.75Å; F62-L68 HydrophobicContact CD1-CD2 3.64Å; F62-L68 HydrophobicContact CD1-CG 4.38Å; F62-L68 HydrophobicContact CE1-CD1 4.33Å; F62-L68 HydrophobicContact CE1-CD2 4.09Å; F62-L68 HydrophobicContact CG-CD1 4.22Å; F65-L68 HydrophobicContact CB-CD1 4.42Å; F65-L68 HydrophobicContact CD1-CD1 4.15Å; F65-L68 WeakPolarHBondContact O-CG 3.25Å; F65-L68 PolarHBondContact O-N 3.39Å; L68-Y195 WeakPolarHBondContact O-CE1 3.25Å; L68-K198 HydrophobicContact CD1-CB 4.46Å
69	P	87.6	Confident	86.8	Confident	37 Å²	37	51 Å²	51	24%	0.24	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-68.1	143.1	176.5	28.9	-34.3	0	0	0	110.5	S38 I40 T44	S38-P69 WeakPolarHBondContact O-CB 3.44Å; S38-P69 WeakPolarHBondContact O-CG 3.47Å; I40-P69 HydrophobicContact CG1-CG 3.96Å; T44-P69 HydrophobicContact CG2-CG 4.04Å
70	P	90	Very high	86.8	Confident	47 Å²	47	51 Å²	51	31%	0.305	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-72.4	163.4	166.5	32.1	-33.6	0	0	0	111	R193 M194 Y195	P70-R193 HydrophobicContact CB-CB 4.1Å; P70-M194 CarbonylContact C-O 3.52Å; P70-M194 VanDerWaalsContact CA-O 3.22Å; P70-M194 WeakPolarHBondContact CA-O 3.37Å; P70-M194 WeakPolarHBondContact CB-O 3.45Å; P70-Y195 HydrophobicContact CB-CD1 4.08Å; P70-Y195 HydrophobicContact CB-CE1 3.7Å; P70-Y195 HydrophobicContact CB-CE2 4.31Å; P70-Y195 HydrophobicContact CG-CE1 4.2Å
71	V	89.8	Confident	86.7	Confident	5 Å²	5	55 Å²	55	3%	0.03	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-53.3	140.3	162	178	0	0	0	0	109.2	L34 I37 A73 L76 I79 M194	L34-V71 HydrophobicContact CD2-CG2 4.22Å; I37-V71 HydrophobicContact CG2-CG1 3.67Å; V71-A73 PolarHBondContact O-N 3.33Å; V71-L76 HydrophobicContact CG1-CB 4.03Å; V71-I79 HydrophobicContact CG1-CD1 4.28Å; V71-M194 HydrophobicContact CB-CB 4.08Å; V71-M194 HydrophobicContact CG2-CB 3.82Å; V71-M194 HydrophobicContact CG2-CG 3.99Å; V71-M194 HydrophobicContact CG2-SD 4Å; V71-M194 PolarHBondContact N-O 2.83Å
72	S	85.1	Confident	86.7	Confident	39 Å²	39	52.4 Å²	52.4	27%	0.273	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-63.6	135.7	-178.1	91.4	0	0	0	0	111.5	I75 L76	S72-I75 PolarHBondContact O-N 3.32Å; S72-L76 WeakPolarHBondContact O-CB 3.22Å; S72-L76 PolarHBondContact O-N 2.79Å
73	A	84.4	Confident	86.8	Confident	73 Å²	73	51.9 Å²	51.9	60%	0.603	28%	0.275	S	S	*	.	H	α-helix	trans	-53.8	-42.6	-174.7	0	0	0	0	0	116.1	V71 K77	V71-A73 PolarHBondContact O-N 3.33Å; A73-K77 PolarHBondContact O-N 2.92Å; A73-K77 VanDerWaalsContact O-N 3.16Å
74	P	85.4	Confident	87.2	Confident	90 Å²	90	50.5 Å²	50.5	58%	0.584	27%	0.266	S	S	*	.	H	α-helix	trans	-66.5	-40.5	177.8	25.4	-33.3	0	0	0	112.3	K77 Q78	P74-K77 WeakPolarHBondContact O-CB 3.42Å; P74-K77 PolarHBondContact O-N 3.27Å; P74-Q78 PolarHBondContact O-N 3.1Å; P74-Q78 VanDerWaalsContact O-N 3.16Å
75	I	86.5	Confident	87.6	Confident	41 Å²	41	49.6 Å²	49.6	21%	0.21	27%	0.271	C	S	.	.	H	α-helix	trans	-74.5	-32.7	-179.7	-58.6	171.9	0	0	0	110.9	F32 I37 S72 K77 Q78 I79	F32-I75 HydrophobicContact CD1-CG2 3.76Å; F32-I75 HydrophobicContact CE1-CG2 3.91Å; I37-I75 HydrophobicContact CD1-CG2 3.96Å; I37-I75 HydrophobicContact CG1-CG2 4.32Å; I37-I75 HydrophobicContact CG2-CB 3.9Å; I37-I75 HydrophobicContact CG2-CD1 3.94Å; I37-I75 HydrophobicContact CG2-CG2 3.69Å; S72-I75 PolarHBondContact O-N 3.32Å; I75-K77 VanDerWaalsContact C-N 3.26Å; I75-K77 PolarHBondContact O-N 3.2Å; I75-Q78 PolarHBondContact O-N 2.87Å; I75-I79 HydrophobicContact CG2-CD1 4.07Å; I75-I79 HydrophobicContact CG2-CG1 4.38Å; I75-I79 WeakPolarHBondContact O-CG1 3.49Å; I75-I79 PolarHBondContact O-N 3.25Å
76	L	90.4	Very high	87.8	Confident	2 Å²	2	50.8 Å²	50.8	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-59.9	-36.9	169.7	179.5	58.2	0	0	0	111.8	V71 S72 L80 L108 M194	V71-L76 HydrophobicContact CG1-CB 4.03Å; S72-L76 WeakPolarHBondContact O-CB 3.22Å; S72-L76 PolarHBondContact O-N 2.79Å; L76-L80 HydrophobicContact CD1-CD1 4.17Å; L76-L80 HydrophobicContact CD1-CG 4.2Å; L76-L80 HydrophobicContact CG-CD1 4.29Å; L76-L80 WeakPolarHBondContact O-CG 2.97Å; L76-L80 PolarHBondContact O-N 2.81Å; L76-L108 HydrophobicContact CD1-CD1 4.24Å; L76-L108 HydrophobicContact CD2-CD1 4.24Å; L76-M194 HydrophobicContact CD1-CB 3.69Å; L76-M194 HydrophobicContact CD1-CE 3.82Å; L76-M194 HydrophobicContact CD1-SD 4.44Å; L76-M194 HydrophobicContact CD2-CB 4.31Å
77	K	89	Confident	88.3	Confident	75 Å²	75	50.3 Å²	50.3	33%	0.326	27%	0.273	S	S	.	.	H	α-helix	trans	-67.5	-41.2	174.9	-167.4	158	-167.4	161.5	0	111.7	A73 P74 I75 L80 Q81 A189 D190	A73-K77 PolarHBondContact O-N 2.92Å; A73-K77 VanDerWaalsContact O-N 3.16Å; P74-K77 WeakPolarHBondContact O-CB 3.42Å; P74-K77 PolarHBondContact O-N 3.27Å; I75-K77 VanDerWaalsContact C-N 3.26Å; I75-K77 PolarHBondContact O-N 3.2Å; K77-L80 PolarHBondContact O-N 2.89Å; K77-Q81 WeakPolarHBondContact O-CB 3.35Å; K77-Q81 VanDerWaalsContact O-CG 3.25Å; K77-Q81 WeakPolarHBondContact O-CG 3.47Å; K77-Q81 PolarHBondContact O-N 2.73Å; K77-Q81 PolarHBondContact O-OE1 3.2Å; K77-A189 HydrophobicContact CB-CB 4.22Å; K77-A189 HydrophobicContact CD-CB 4.28Å; K77-A189 HydrophobicContact CG-CB 3.88Å; K77-D190 IonicContact NZ-OD1 3.89Å; K77-D190 PolarHBondContact NZ-OD1 3.23Å; K77-D190 IonicContact NZ-OD2 2.95Å; K77-D190 PolarHBondContact NZ-OD2 2.95Å
78	Q	89.7	Confident	88.7	Confident	68 Å²	68	45.8 Å²	45.8	32%	0.318	25%	0.252	S	S	.	.	H	α-helix	trans	-61.6	-46.6	173.5	-67.5	169.1	-67.4	0	0	112.2	P74 I75 L80 Q81 Q82	P74-Q78 PolarHBondContact O-N 3.1Å; P74-Q78 VanDerWaalsContact O-N 3.16Å; I75-Q78 PolarHBondContact O-N 2.87Å; Q78-L80 PolarHBondContact O-N 2.67Å; Q78-Q81 PolarHBondContact O-N 3.27Å; Q78-Q82 PolarHBondContact O-N 3.2Å
79	I	90.7	Very high	89.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.3	-47.1	177.7	-69.1	165.6	0	0	0	111.2	F32 L34 V71 I75 Q81 Q82 I83 M194 F215 F217	F32-I79 HydrophobicContact CB-CD1 3.93Å; F32-I79 HydrophobicContact CB-CG1 4.1Å; F32-I79 HydrophobicContact CD1-CD1 4.06Å; F32-I79 HydrophobicContact CD1-CG1 3.75Å; F32-I79 HydrophobicContact CD2-CG1 3.84Å; F32-I79 HydrophobicContact CE1-CG1 4.08Å; F32-I79 HydrophobicContact CE2-CG1 4.14Å; F32-I79 HydrophobicContact CG-CD1 3.95Å; F32-I79 HydrophobicContact CG-CG1 3.61Å; F32-I79 HydrophobicContact CZ-CG1 4.26Å; L34-I79 HydrophobicContact CD2-CD1 4.11Å; V71-I79 HydrophobicContact CG1-CD1 4.28Å; I75-I79 HydrophobicContact CG2-CD1 4.07Å; I75-I79 HydrophobicContact CG2-CG1 4.38Å; I75-I79 WeakPolarHBondContact O-CG1 3.49Å; I75-I79 PolarHBondContact O-N 3.25Å; I79-Q81 VanDerWaalsContact C-N 3.32Å; I79-Q81 PolarHBondContact O-N 2.62Å; I79-Q82 PolarHBondContact O-N 3.39Å; I79-I83 HydrophobicContact CG2-CD1 4Å; I79-I83 WeakPolarHBondContact O-CG1 3.49Å; I79-I83 PolarHBondContact O-N 3.23Å; I79-M194 HydrophobicContact CG2-CE 4.49Å; I79-F215 HydrophobicContact CG2-CD2 4.12Å; I79-F217 HydrophobicContact CG2-CZ 4.34Å
80	L	91	Very high	89.4	Confident	1 Å²	1	44.1 Å²	44.1	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-68.1	-31.6	179.2	-68.2	175.7	0	0	0	112.6	L76 K77 Q78 I83 Q84 L108 L187 A189	L76-L80 HydrophobicContact CD1-CD1 4.17Å; L76-L80 HydrophobicContact CD1-CG 4.2Å; L76-L80 HydrophobicContact CG-CD1 4.29Å; L76-L80 WeakPolarHBondContact O-CG 2.97Å; L76-L80 PolarHBondContact O-N 2.81Å; K77-L80 PolarHBondContact O-N 2.89Å; Q78-L80 PolarHBondContact O-N 2.67Å; L80-I83 HydrophobicContact CD2-CD1 4.22Å; L80-I83 PolarHBondContact O-N 3.25Å; L80-Q84 WeakPolarHBondContact O-CG 3.46Å; L80-Q84 PolarHBondContact O-N 2.82Å; L80-Q84 VanDerWaalsContact O-N 3.14Å; L80-L108 HydrophobicContact CD1-CD2 4.32Å; L80-L108 HydrophobicContact CD2-CD2 4.1Å; L80-L187 HydrophobicContact CD2-CB 4.13Å; L80-L187 HydrophobicContact CD2-CD1 3.96Å; L80-A189 HydrophobicContact CB-CB 4.44Å; L80-A189 HydrophobicContact CD1-CB 3.76Å
81	Q	89.1	Confident	89.7	Confident	96 Å²	96	42 Å²	42	45%	0.449	23%	0.227	S	C	.	.	H	α-helix	trans	-67.4	-41.6	171.8	-73.1	178.8	-79.2	0	0	112	K77 Q78 I79 I83 Q84 N85	K77-Q81 WeakPolarHBondContact O-CB 3.35Å; K77-Q81 VanDerWaalsContact O-CG 3.25Å; K77-Q81 WeakPolarHBondContact O-CG 3.47Å; K77-Q81 PolarHBondContact O-N 2.73Å; K77-Q81 PolarHBondContact O-OE1 3.2Å; Q78-Q81 PolarHBondContact O-N 3.27Å; I79-Q81 VanDerWaalsContact C-N 3.32Å; I79-Q81 PolarHBondContact O-N 2.62Å; Q81-I83 VanDerWaalsContact C-N 3.34Å; Q81-Q84 PolarHBondContact O-N 3.37Å; Q81-N85 WeakPolarHBondContact O-CB 3.49Å; Q81-N85 PolarHBondContact O-N 3.42Å; Q81-N85 PolarHBondContact O-ND2 2.69Å; Q81-N85 PolarHBondContact O-OD1 2.94Å
82	Q	89.9	Confident	89.9	Confident	27 Å²	27	42 Å²	42	13%	0.126	23%	0.227	C	C	.	.	H	α-helix	trans	-68.5	-33	175.3	-64.3	-62.6	40.4	0	0	112.8	Q78 I79 Q84 N85 N86 F217	Q78-Q82 PolarHBondContact O-N 3.2Å; I79-Q82 PolarHBondContact O-N 3.39Å; Q82-Q84 VanDerWaalsContact C-N 3.28Å; Q82-Q84 PolarHBondContact O-N 3.14Å; Q82-N85 PolarHBondContact O-N 2.76Å; Q82-N85 PolarHBondContact OE1-ND2 2.88Å; Q82-N86 WeakPolarHBondContact O-CB 3.21Å; Q82-N86 PolarHBondContact O-N 3.05Å; Q82-N86 VanDerWaalsContact O-N 3.09Å; Q82-F217 HydrophobicContact CB-CD1 3.81Å; Q82-F217 HydrophobicContact CB-CD2 3.93Å; Q82-F217 HydrophobicContact CB-CE1 3.93Å; Q82-F217 HydrophobicContact CB-CE2 4.04Å; Q82-F217 HydrophobicContact CB-CG 3.82Å; Q82-F217 HydrophobicContact CB-CZ 4.05Å
83	I	91.9	Very high	90.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59	-40.1	170.7	-74.8	174.9	0	0	0	111.7	I79 L80 Q81 E87 G88 F89 Y184 L187 F217	I79-I83 HydrophobicContact CG2-CD1 4Å; I79-I83 WeakPolarHBondContact O-CG1 3.49Å; I79-I83 PolarHBondContact O-N 3.23Å; L80-I83 HydrophobicContact CD2-CD1 4.22Å; L80-I83 PolarHBondContact O-N 3.25Å; Q81-I83 VanDerWaalsContact C-N 3.34Å; I83-E87 PolarHBondContact O-N 2.94Å; I83-G88 WeakPolarHBondContact CA-O 3.36Å; I83-G88 PolarHBondContact O-N 2.77Å; I83-F89 HydrophobicContact CD1-CD1 3.77Å; I83-F89 HydrophobicContact CD1-CE1 4.28Å; I83-F89 HydrophobicContact CD1-CG 4.43Å; I83-F89 HydrophobicContact CG1-CB 4.11Å; I83-F89 HydrophobicContact CG1-CD1 3.81Å; I83-F89 HydrophobicContact CG1-CG 4.35Å; I83-F89 HydrophobicContact CG2-CD1 4.15Å; I83-Y184 HydrophobicContact CG2-CG 4.42Å; I83-L187 HydrophobicContact CG2-CD1 4.32Å; I83-F217 HydrophobicContact CB-CE1 4.41Å; I83-F217 HydrophobicContact CD1-CZ 4.4Å; I83-F217 HydrophobicContact CG1-CE1 3.6Å; I83-F217 HydrophobicContact CG1-CZ 3.63Å
84	Q	90.6	Very high	90.7	Very high	73 Å²	73	36.8 Å²	36.8	34%	0.341	19%	0.186	S	C	.	.	H	α-helix	trans	-81.6	-34.7	-179	-72.9	169.7	-16.7	0	0	112.7	L80 Q81 Q82 Y184 E185 L187	L80-Q84 WeakPolarHBondContact O-CG 3.46Å; L80-Q84 PolarHBondContact O-N 2.82Å; L80-Q84 VanDerWaalsContact O-N 3.14Å; Q81-Q84 PolarHBondContact O-N 3.37Å; Q82-Q84 VanDerWaalsContact C-N 3.28Å; Q82-Q84 PolarHBondContact O-N 3.14Å; Q84-Y184 WeakPolarHBondContact CG-O 3.45Å; Q84-Y184 PolarHBondContact NE2-O 3.34Å; Q84-E185 PolarHBondContact NE2-O 3.2Å; Q84-L187 PolarHBondContact NE2-O 2.77Å
85	N	88.6	Confident	91.2	Very high	113 Å²	113	32.5 Å²	32.5	60%	0.604	16%	0.158	S	C	*	.	H	α-helix	trans	-69.4	-34.8	177.9	-68.8	-18.5	0	0	0	113.2	Q81 Q82	Q81-N85 WeakPolarHBondContact O-CB 3.49Å; Q81-N85 PolarHBondContact O-N 3.42Å; Q81-N85 PolarHBondContact O-ND2 2.69Å; Q81-N85 PolarHBondContact O-OD1 2.94Å; Q82-N85 PolarHBondContact O-N 2.76Å; Q82-N85 PolarHBondContact OE1-ND2 2.88Å
86	N	87.4	Confident	91.5	Very high	55 Å²	55	35.5 Å²	35.5	29%	0.294	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	14.8	-176.9	-73.8	-36.4	0	0	0	113.1	Q82 G88 H161 D218	Q82-N86 WeakPolarHBondContact O-CB 3.21Å; Q82-N86 PolarHBondContact O-N 3.05Å; Q82-N86 VanDerWaalsContact O-N 3.09Å; N86-G88 PolarHBondContact O-N 2.77Å; N86-G88 VanDerWaalsContact O-N 3.12Å; N86-H161 PolarHBondContact O-ND1 3.12Å; N86-D218 PolarHBondContact ND2-OD1 2.81Å; N86-D218 PolarHBondContact OD1-OD1 3.05Å
87	E	90.2	Very high	91.7	Very high	109 Å²	109	35.4 Å²	35.4	51%	0.509	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	39.5	175.9	-60.3	173.2	176.6	0	0	112.4	I83 H161 G162 Y184	I83-E87 PolarHBondContact O-N 2.94Å; E87-H161 CarbonylContact O-C 3.53Å; E87-H161 WeakPolarHBondContact O-CA 3.48Å; E87-G162 PolarHBondContact O-N 3.11Å; E87-Y184 VanDerWaalsContact C-CZ 3.5Å; E87-Y184 HydrophobicContact CB-CE2 4.21Å; E87-Y184 VanDerWaalsContact O-CZ 3.28Å; E87-Y184 PolarHBondContact O-OH 3.11Å
88	G	90	Very high	91.8	Very high	2 Å²	2	34.7 Å²	34.7	2%	0.021	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	147.2	-162.5	-173.6	0	0	0	0	0	115.6	I83 N86 I160	I83-G88 WeakPolarHBondContact CA-O 3.36Å; I83-G88 PolarHBondContact O-N 2.77Å; N86-G88 PolarHBondContact O-N 2.77Å; N86-G88 VanDerWaalsContact O-N 3.12Å; G88-I160 CarbonylContact C-O 3.42Å; G88-I160 VanDerWaalsContact CA-O 3.24Å; G88-I160 WeakPolarHBondContact CA-O 3.38Å
89	F	93.6	Very high	91.6	Very high	6 Å²	6	40.3 Å²	40.3	3%	0.026	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	155.3	176.4	54.5	-98.1	0	0	0	113.6	I83 F91 I160 F183 F215 F217	I83-F89 HydrophobicContact CD1-CD1 3.77Å; I83-F89 HydrophobicContact CD1-CE1 4.28Å; I83-F89 HydrophobicContact CD1-CG 4.43Å; I83-F89 HydrophobicContact CG1-CB 4.11Å; I83-F89 HydrophobicContact CG1-CD1 3.81Å; I83-F89 HydrophobicContact CG1-CG 4.35Å; I83-F89 HydrophobicContact CG2-CD1 4.15Å; F89-F91 HydrophobicContact CD2-CB 3.78Å; F89-F91 HydrophobicContact CE2-CB 3.76Å; F89-I160 HydrophobicContact CE1-CD1 4.1Å; F89-I160 HydrophobicContact CE2-CD1 3.93Å; F89-I160 HydrophobicContact CE2-CG1 4.21Å; F89-I160 HydrophobicContact CZ-CD1 3.55Å; F89-I160 HydrophobicContact CZ-CG1 4.27Å; F89-I160 PolarHBondContact N-O 3.49Å; F89-I160 PolarHBondContact O-N 3.05Å; F89-F183 HydrophobicContact CE1-CZ 4.25Å; F89-F183 HydrophobicContact CZ-CZ 4.46Å; F89-F215 HydrophobicContact CB-CD1 4.06Å; F89-F215 HydrophobicContact CD1-CE1 4.43Å; F89-F215 AromaticContact CD2-CD1 3.73Å; F89-F215 HydrophobicContact CD2-CD1 3.73Å; F89-F215 AromaticContact CD2-CE1 3.61Å; F89-F215 HydrophobicContact CD2-CE1 3.61Å; F89-F215 HydrophobicContact CE2-CD1 4.33Å; F89-F215 AromaticContact CE2-CE1 3.74Å; F89-F215 HydrophobicContact CE2-CE1 3.74Å; F89-F215 AromaticContact CG-CD1 3.92Å; F89-F215 HydrophobicContact CG-CD1 3.92Å; F89-F215 AromaticContact CG-CE1 3.98Å; F89-F215 HydrophobicContact CG-CE1 3.98Å; F89-F215 HydrophobicContact CZ-CE1 4.19Å; F89-F217 HydrophobicContact CB-CE1 3.76Å; F89-F217 HydrophobicContact CB-CZ 4.26Å
90	V	94.2	Very high	91.2	Very high	5 Å²	5	43.9 Å²	43.9	3%	0.03	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	115.1	159.3	179.5	0	0	0	0	109.3	I92 T157 H159 F215 I216 V224	V90-I92 HydrophobicContact CG1-CG2 4.23Å; V90-T157 HydrophobicContact CG1-CG2 3.66Å; V90-H159 HydrophobicContact CG2-CB 4.45Å; V90-H159 VanDerWaalsContact CG2-CD2 3.46Å; V90-H159 WeakPolarHBondContact CG2-CD2 3.34Å; V90-F215 CarbonylContact O-C 3.53Å; V90-F215 WeakPolarHBondContact O-CA 3.37Å; V90-I216 HydrophobicContact CB-CB 4.2Å; V90-I216 PolarHBondContact N-O 2.84Å; V90-I216 VanDerWaalsContact N-O 3.14Å; V90-I216 PolarHBondContact O-N 2.92Å; V90-V224 HydrophobicContact CG1-CG1 4.12Å; V90-V224 HydrophobicContact CG1-CG2 4.27Å
91	F	95.5	Very high	91.1	Very high	1 Å²	1	44.5 Å²	44.5	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	128.8	172.9	171.3	-115.9	0	0	0	110.9	F89 A93 L105 I106 I119 T157 L158 V213 R214 F215	F89-F91 HydrophobicContact CD2-CB 3.78Å; F89-F91 HydrophobicContact CE2-CB 3.76Å; F91-A93 HydrophobicContact CE1-CB 4.23Å; F91-A93 HydrophobicContact CZ-CB 3.8Å; F91-L105 HydrophobicContact CE1-CD1 4.43Å; F91-I106 HydrophobicContact CD2-CD1 3.78Å; F91-I106 HydrophobicContact CE2-CD1 3.23Å; F91-I106 HydrophobicContact CE2-CG1 4.19Å; F91-I106 HydrophobicContact CZ-CD1 3.71Å; F91-I106 HydrophobicContact CZ-CG1 4.2Å; F91-I119 HydrophobicContact CD1-CD1 3.61Å; F91-I119 HydrophobicContact CE1-CD1 4.01Å; F91-I119 HydrophobicContact CE1-CG2 4.42Å; F91-I119 HydrophobicContact CG-CD1 4.07Å; F91-T157 CarbonylContact O-C 3.52Å; F91-T157 WeakPolarHBondContact O-CA 3.15Å; F91-L158 HydrophobicContact CB-CB 4.43Å; F91-L158 HydrophobicContact CD1-CB 4.38Å; F91-L158 PolarHBondContact N-O 3.24Å; F91-L158 PolarHBondContact O-N 3.04Å; F91-V213 HydrophobicContact CE2-CG1 3.75Å; F91-V213 HydrophobicContact CZ-CG1 4.13Å; F91-R214 VanDerWaalsContact CD2-O 3.27Å; F91-R214 WeakPolarHBondContact CD2-O 3.48Å; F91-F215 HydrophobicContact CB-CD1 4.1Å; F91-F215 HydrophobicContact CB-CE1 3.96Å; F91-F215 HydrophobicContact CD2-CD1 4.28Å; F91-F215 HydrophobicContact CD2-CE1 4.04Å; F91-F215 HydrophobicContact CD2-CZ 4.28Å; F91-F215 HydrophobicContact CG-CE1 4.29Å
92	I	94.2	Very high	91.2	Very high	7 Å²	7	43.2 Å²	43.2	4%	0.036	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	142.9	175.9	57.8	158.5	0	0	0	113.1	V90 I156 T157 V213 R214 I216 V224	V90-I92 HydrophobicContact CG1-CG2 4.23Å; I92-I156 WeakPolarHBondContact CA-O 3.09Å; I92-T157 HydrophobicContact CG2-CG2 3.92Å; I92-V213 WeakPolarHBondContact O-CA 3.35Å; I92-R214 HydrophobicContact CD1-CB 4.12Å; I92-R214 HydrophobicContact CD1-CG 4Å; I92-R214 HydrophobicContact CG1-CB 3.79Å; I92-R214 HydrophobicContact CG1-CG 4.13Å; I92-R214 PolarHBondContact N-O 2.89Å; I92-R214 PolarHBondContact O-N 3.05Å; I92-I216 HydrophobicContact CD1-CD1 3.82Å; I92-I216 HydrophobicContact CG1-CD1 4.11Å; I92-I216 HydrophobicContact CG2-CD1 4.47Å; I92-V224 HydrophobicContact CG2-CG1 4Å
93	A	93.9	Very high	91.1	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	147.4	169.6	0	0	0	0	0	111.6	F91 I95 I156 N212 V213	F91-A93 HydrophobicContact CE1-CB 4.23Å; F91-A93 HydrophobicContact CZ-CB 3.8Å; A93-I95 HydrophobicContact CB-CG2 4.05Å; A93-I156 PolarHBondContact N-O 2.85Å; A93-I156 PolarHBondContact O-N 3.44Å; A93-N212 WeakPolarHBondContact CA-O 3.38Å; A93-V213 HydrophobicContact CB-CG2 4.44Å
94	S	93.5	Very high	91.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	118.3	164.3	-58.6	0	0	0	0	108.2	K154 N155 Q211	S94-K154 WeakPolarHBondContact CA-O 3.27Å; S94-N155 WeakPolarHBondContact CB-OD1 3.17Å; S94-N155 PolarHBondContact OG-OD1 3.18Å; S94-Q211 PolarHBondContact N-O 3.03Å; S94-Q211 PolarHBondContact O-N 3.38Å
95	I	94.6	Very high	91.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	153.2	-173.1	69.8	164.8	0	0	0	112.6	A93 L105 L148 W153 K154 I156 F206 I210	A93-I95 HydrophobicContact CB-CG2 4.05Å; I95-L105 HydrophobicContact CD1-CD2 4.49Å; I95-L105 HydrophobicContact CG2-CD2 3.92Å; I95-L148 HydrophobicContact CD1-CB 4.24Å; I95-L148 HydrophobicContact CD1-CD1 4.34Å; I95-L148 HydrophobicContact CD1-CD2 4.47Å; I95-W153 VanDerWaalsContact C-CE3 3.49Å; I95-W153 CarbonylContact O-C 3.56Å; I95-W153 WeakPolarHBondContact O-CA 3.29Å; I95-K154 HydrophobicContact CG1-CB 4.43Å; I95-K154 PolarHBondContact N-O 3.26Å; I95-K154 PolarHBondContact O-N 3.42Å; I95-I156 HydrophobicContact CD1-CD1 3.62Å; I95-I156 HydrophobicContact CG1-CD1 3.91Å; I95-F206 HydrophobicContact CB-CZ 4.14Å; I95-F206 HydrophobicContact CD1-CE2 4.31Å; I95-F206 HydrophobicContact CG2-CZ 4.5Å; I95-I210 HydrophobicContact CG2-CG1 4.37Å; I95-I210 HydrophobicContact CG2-CG2 4.24Å
96	R	94.2	Very high	91.6	Very high	104 Å²	104	33.2 Å²	33.2	39%	0.392	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	95.3	168.5	169.6	161.8	-162.6	-164.3	7.8	109.1	S151 Q152 W153 G208 L209	R96-S151 VanDerWaalsContact CZ-O 3.22Å; R96-S151 PolarHBondContact NE-O 3.06Å; R96-S151 PolarHBondContact NH2-O 2.82Å; R96-Q152 VanDerWaalsContact CA-O 3.23Å; R96-Q152 WeakPolarHBondContact CA-O 3.39Å; R96-Q152 WeakPolarHBondContact CB-O 3.06Å; R96-Q152 WeakPolarHBondContact CG-O 3.25Å; R96-W153 HydrophobicContact CB-CD2 3.65Å; R96-W153 HydrophobicContact CB-CE3 3.72Å; R96-W153 HydrophobicContact CB-CG 4.14Å; R96-W153 HydrophobicContact CB-CH2 4.32Å; R96-W153 HydrophobicContact CB-CZ2 4.26Å; R96-W153 HydrophobicContact CB-CZ3 4.06Å; R96-G208 CarbonylContact O-C 3.51Å; R96-G208 WeakPolarHBondContact O-CA 3.45Å; R96-L209 HydrophobicContact CB-CB 4.32Å; R96-L209 PolarHBondContact N-O 2.81Å; R96-L209 PolarHBondContact O-N 3.29Å
97	Q	93.9	Very high	91.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	141.8	-169.4	-174.8	158.9	-18.7	0	0	111.7	S101 S121 A149 S151 F206	Q97-S101 WeakPolarHBondContact CG-OG 3.18Å; Q97-S101 PolarHBondContact NE2-O 3.11Å; Q97-S121 VanDerWaalsContact CD-OG 3.31Å; Q97-S121 PolarHBondContact NE2-O 3.43Å; Q97-S121 PolarHBondContact NE2-OG 2.77Å; Q97-S121 PolarHBondContact OE1-OG 2.85Å; Q97-A149 HydrophobicContact CG-CB 4.22Å; Q97-S151 VanDerWaalsContact O-CA 3.26Å; Q97-S151 WeakPolarHBondContact O-CA 3.21Å; Q97-S151 PolarHBondContact O-N 3.37Å; Q97-S151 PolarHBondContact O-OG 3.14Å; Q97-S151 VanDerWaalsContact O-OG 3.11Å; Q97-F206 HydrophobicContact CB-CE2 4.03Å; Q97-F206 HydrophobicContact CB-CZ 3.87Å; Q97-F206 HydrophobicContact CG-CE2 3.99Å; Q97-F206 HydrophobicContact CG-CZ 4.2Å; Q97-F206 VanDerWaalsContact OE1-CE2 3.23Å
98	D	90.7	Very high	92	Very high	61 Å²	61	25.4 Å²	25.4	33%	0.326	12%	0.116	S	C	.	.	P	Polyproline II helix	trans	-70.6	137.4	177	-63.4	-45.9	0	0	0	109.6	R61 S100 S101 R207 G208	R61-D98 IonicContact CZ-OD1 2.67Å; R61-D98 IonicContact CZ-OD2 2.87Å; R61-D98 IonicContact NH2-OD1 2.67Å; R61-D98 PolarHBondContact NH2-OD1 3.41Å; R61-D98 IonicContact NH2-OD2 2.8Å; R61-D98 PolarHBondContact NH2-OD2 2.93Å; D98-S100 PolarHBondContact O-N 2.84Å; D98-S101 VanDerWaalsContact O-CB 3.3Å; D98-S101 WeakPolarHBondContact O-CB 3.38Å; D98-S101 PolarHBondContact O-N 2.61Å; D98-S101 PolarHBondContact O-OG 2.96Å; D98-R207 HydrophobicContact CB-CB 4.32Å; D98-R207 PolarHBondContact N-O 2.87Å; D98-G208 PolarHBondContact OD2-N 2.81Å
99	R	86.7	Confident	92	Very high	185 Å²	185	26.8 Å²	26.8	70%	0.698	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50	136.8	-173.2	-70.9	-173.2	178.9	-174.6	-5.2	114.7	S101 A149 D150 S151	R99-S101 PolarHBondContact O-N 3.11Å; R99-S101 VanDerWaalsContact O-N 3.14Å; R99-A149 VanDerWaalsContact CA-O 3.31Å; R99-A149 WeakPolarHBondContact CA-O 3.15Å; R99-A149 WeakPolarHBondContact CG-O 2.92Å; R99-D150 PolarHBondContact NE-O 3.13Å; R99-D150 PolarHBondContact NH2-O 3.22Å; R99-S151 PolarHBondContact N-OG 2.8Å
100	S	80.8	Confident	91.6	Very high	76 Å²	76	27 Å²	27	53%	0.531	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	29.4	176.8	-47.9	0	0	0	0	115	D98 G123 R124	D98-S100 PolarHBondContact O-N 2.84Å; S100-G123 WeakPolarHBondContact CA-O 3.19Å; S100-R124 WeakPolarHBondContact O-CG 3.43Å; S100-R124 PolarHBondContact O-NE 2.97Å
101	S	89	Confident	90.9	Very high	13 Å²	13	30 Å²	30	9%	0.091	15%	0.146	C	C	.	.			trans	-100.3	148.6	173.1	71.1	0	0	0	0	111.8	Q97 D98 R99 G123	Q97-S101 WeakPolarHBondContact CG-OG 3.18Å; Q97-S101 PolarHBondContact NE2-O 3.11Å; D98-S101 VanDerWaalsContact O-CB 3.3Å; D98-S101 WeakPolarHBondContact O-CB 3.38Å; D98-S101 PolarHBondContact O-N 2.61Å; D98-S101 PolarHBondContact O-OG 2.96Å; R99-S101 PolarHBondContact O-N 3.11Å; R99-S101 VanDerWaalsContact O-N 3.14Å; S101-G123 WeakPolarHBondContact O-CA 3.06Å; S101-G123 PolarHBondContact O-N 3.03Å
102	R	91.3	Very high	90.1	Very high	69 Å²	69	37.1 Å²	37.1	26%	0.26	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	141.7	169.1	-172.8	168.7	-169.1	-102.1	1.5	109.5	V120 S121 N122 D129 N204	R102-V120 HydrophobicContact CG-CG1 3.8Å; R102-S121 CarbonylContact C-O 3.42Å; R102-S121 WeakPolarHBondContact CA-O 3.45Å; R102-N122 WeakPolarHBondContact CD-OD1 3.47Å; R102-N122 HydrophobicContact CG-CB 3.93Å; R102-D129 IonicContact CZ-OD2 3.81Å; R102-D129 IonicContact NE-OD2 3.23Å; R102-D129 PolarHBondContact NE-OD2 3.22Å; R102-D129 IonicContact NH2-OD2 3.96Å; R102-D129 PolarHBondContact NH2-OD2 2.9Å; R102-N204 VanDerWaalsContact NH1-CG 3.33Å; R102-N204 PolarHBondContact NH1-ND2 3.04Å; R102-N204 PolarHBondContact NH1-OD1 3.16Å
103	G	89.6	Confident	89.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.4	115.7	-170.4	0	0	0	0	0	114.8	L105 S121 N204	G103-L105 PolarHBondContact O-N 3.16Å; G103-S121 PolarHBondContact N-O 3.23Å; G103-S121 PolarHBondContact O-N 2.87Å; G103-N204 WeakPolarHBondContact CA-O 3.42Å
104	T	93.6	Very high	88.7	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	121.2	171.3	-53.3	0	0	0	0	110.8	I106 E118 I119 V120 A197 G199 N204	T104-I106 WeakPolarHBondContact CG2-O 3.4Å; T104-E118 HydrophobicContact CG2-CB 4.06Å; T104-E118 HydrophobicContact CG2-CG 4.22Å; T104-I119 CarbonylContact C-O 3.31Å; T104-I119 WeakPolarHBondContact CA-O 3.27Å; T104-V120 HydrophobicContact CG2-CG2 4.29Å; T104-A197 CarbonylContact O-C 3.6Å; T104-A197 VanDerWaalsContact O-CA 3.26Å; T104-A197 WeakPolarHBondContact O-CA 3.32Å; T104-G199 WeakPolarHBondContact OG1-CA 3.44Å; T104-N204 PolarHBondContact N-O 3.31Å; T104-N204 PolarHBondContact OG1-O 3.5Å
105	L	93.1	Very high	88.4	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	-48.7	175.3	-59.9	-179	0	0	0	111	F91 I95 G103 I119 L128 I156 V196 A197 F206 I210	F91-L105 HydrophobicContact CE1-CD1 4.43Å; I95-L105 HydrophobicContact CD1-CD2 4.49Å; I95-L105 HydrophobicContact CG2-CD2 3.92Å; G103-L105 PolarHBondContact O-N 3.16Å; L105-I119 HydrophobicContact CD1-CG2 4.28Å; L105-I119 PolarHBondContact N-O 3.3Å; L105-L128 HydrophobicContact CD1-CD1 4.17Å; L105-I156 HydrophobicContact CD1-CD1 4.21Å; L105-V196 WeakPolarHBondContact O-CA 3.45Å; L105-A197 PolarHBondContact O-N 3.3Å; L105-F206 HydrophobicContact CD2-CD2 3.51Å; L105-F206 HydrophobicContact CD2-CE2 3.54Å; L105-F206 HydrophobicContact CD2-CG 4.42Å; L105-F206 HydrophobicContact CD2-CZ 4.47Å; L105-I210 HydrophobicContact CD2-CD1 4.13Å
106	I	93.8	Very high	88.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	143.7	175.4	-69.6	-179.2	0	0	0	109	L34 F91 T104 F117 E118 I119 M194 Y195 V213 F215	L34-I106 HydrophobicContact CD1-CD1 3.37Å; L34-I106 HydrophobicContact CD1-CG1 4.21Å; F91-I106 HydrophobicContact CD2-CD1 3.78Å; F91-I106 HydrophobicContact CE2-CD1 3.23Å; F91-I106 HydrophobicContact CE2-CG1 4.19Å; F91-I106 HydrophobicContact CZ-CD1 3.71Å; F91-I106 HydrophobicContact CZ-CG1 4.2Å; T104-I106 WeakPolarHBondContact CG2-O 3.4Å; I106-F117 HydrophobicContact CG2-CE2 4.24Å; I106-F117 HydrophobicContact CG2-CZ 4.49Å; I106-E118 CarbonylContact O-C 3.58Å; I106-E118 VanDerWaalsContact O-CA 3.31Å; I106-E118 WeakPolarHBondContact O-CA 3.45Å; I106-I119 PolarHBondContact O-N 3.41Å; I106-M194 HydrophobicContact CG2-CG 3.9Å; I106-M194 HydrophobicContact CG2-SD 4.13Å; I106-Y195 WeakPolarHBondContact CA-O 3.37Å; I106-V213 HydrophobicContact CD1-CG1 4.22Å; I106-F215 HydrophobicContact CD1-CE2 3.86Å; I106-F215 HydrophobicContact CD1-CZ 3.81Å
107	G	92.1	Very high	88.1	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	138.1	165.6	0	0	0	0	0	112.5	R115 F117 M194 Y195	G107-R115 PolarHBondContact O-NH1 2.77Å; G107-F117 WeakPolarHBondContact CA-O 3.26Å; G107-M194 WeakPolarHBondContact O-CA 3.22Å; G107-Y195 PolarHBondContact N-O 3.01Å; G107-Y195 PolarHBondContact O-N 3.37Å
108	L	92.8	Very high	88	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	109.2	173.3	-178.8	61.4	0	0	0	109.7	L76 L80 R115 Q116 F117 L187 M194	L76-L108 HydrophobicContact CD1-CD1 4.24Å; L76-L108 HydrophobicContact CD2-CD1 4.24Å; L80-L108 HydrophobicContact CD1-CD2 4.32Å; L80-L108 HydrophobicContact CD2-CD2 4.1Å; L108-R115 WeakPolarHBondContact O-CA 3.3Å; L108-R115 VanDerWaalsContact O-CD 3.27Å; L108-R115 WeakPolarHBondContact O-CD 3.32Å; L108-Q116 HydrophobicContact CD2-CB 4.01Å; L108-Q116 HydrophobicContact CG-CB 4.2Å; L108-Q116 PolarHBondContact O-N 3.18Å; L108-F117 HydrophobicContact CB-CD1 3.83Å; L108-F117 HydrophobicContact CB-CE1 3.85Å; L108-F117 HydrophobicContact CD2-CD1 3.9Å; L108-F117 HydrophobicContact CD2-CE1 3.77Å; L108-F117 HydrophobicContact CG-CE1 4.46Å; L108-F117 PolarHBondContact N-O 2.87Å; L108-L187 HydrophobicContact CD2-CD2 4.22Å; L108-M194 HydrophobicContact CD1-CB 4.05Å
109	E	90.4	Very high	88.2	Confident	31 Å²	31	42.6 Å²	42.6	15%	0.145	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	131	163.1	-90.9	139.1	-101.4	0	0	109.6	R114 R115 S192 R193 Y195 K198	E109-R114 CarbonylContact C-O 3.55Å; E109-R114 WeakPolarHBondContact CA-O 3.28Å; E109-R115 IonicContact OE1-CZ 3.73Å; E109-R115 IonicContact OE1-NH1 2.7Å; E109-R115 PolarHBondContact OE1-NH1 3.45Å; E109-R115 IonicContact OE1-NH2 3.65Å; E109-S192 CarbonylContact O-C 3.57Å; E109-S192 VanDerWaalsContact O-CA 3.25Å; E109-S192 WeakPolarHBondContact O-CA 3.25Å; E109-S192 VanDerWaalsContact O-CB 3.3Å; E109-S192 WeakPolarHBondContact O-CB 3.04Å; E109-R193 HydrophobicContact CB-CB 4.42Å; E109-R193 PolarHBondContact N-O 2.96Å; E109-R193 PolarHBondContact O-N 3.37Å; E109-Y195 VanDerWaalsContact OE1-CD2 3.25Å; E109-Y195 WeakPolarHBondContact OE1-CD2 3.01Å; E109-Y195 VanDerWaalsContact OE1-CE2 3.32Å; E109-Y195 WeakPolarHBondContact OE1-CE2 3.31Å; E109-Y195 WeakPolarHBondContact OE2-CE2 3.49Å; E109-K198 IonicContact OE1-NZ 3.53Å; E109-K198 PolarHBondContact OE1-NZ 2.87Å; E109-K198 IonicContact OE2-NZ 3.53Å; E109-K198 PolarHBondContact OE2-NZ 2.89Å
110	G	85.1	Confident	88.6	Confident	9 Å²	9	33.8 Å²	33.8	9%	0.093	18%	0.183	C	C	.	.			trans	-79.7	179.8	166.4	0	0	0	0	0	112.9	D112 G113 R114	G110-D112 VanDerWaalsContact C-N 3.29Å; G110-D112 PolarHBondContact O-N 2.75Å; G110-G113 PolarHBondContact O-N 2.76Å; G110-R114 PolarHBondContact N-O 3.27Å
111	P	79.4	Confident	89.2	Confident	70 Å²	70	30.2 Å²	30.2	46%	0.455	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-35.1	-175.1	21.3	-32.9	0	0	0	114.1	G113	P111-G113 VanDerWaalsContact C-N 3.27Å; P111-G113 PolarHBondContact O-N 2.71Å
112	D	79.7	Confident	89.4	Confident	149 Å²	149	30.9 Å²	30.9	80%	0.797	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.6	3.7	177.5	-67.6	-33.6	0	0	0	114	G110 R114	G110-D112 VanDerWaalsContact C-N 3.29Å; G110-D112 PolarHBondContact O-N 2.75Å; D112-R114 PolarHBondContact O-N 3.46Å
113	G	73.9	Confident	89.3	Confident	50 Å²	50	28.2 Å²	28.2	52%	0.515	15%	0.154	S	C	.	.	S	Bend	trans	76.3	0.8	-177.5	0	0	0	0	0	115.2	G110 P111	G110-G113 PolarHBondContact O-N 2.76Å; P111-G113 VanDerWaalsContact C-N 3.27Å; P111-G113 PolarHBondContact O-N 2.71Å
114	R	83.6	Confident	89.1	Confident	189 Å²	189	38 Å²	38	71%	0.713	19%	0.191	S	C	*	.			trans	-68.2	162.1	163.4	-66	-173.9	177.7	-159.1	-0.6	110.4	E109 G110 D112	E109-R114 CarbonylContact C-O 3.55Å; E109-R114 WeakPolarHBondContact CA-O 3.28Å; G110-R114 PolarHBondContact N-O 3.27Å; D112-R114 PolarHBondContact O-N 3.46Å
115	R	88.2	Confident	88.8	Confident	23 Å²	23	40.8 Å²	40.8	9%	0.087	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	153.5	172.1	-72.5	-62.1	-163.2	-155.8	-0.3	111.9	G107 L108 E109 E118 W133 K198	G107-R115 PolarHBondContact O-NH1 2.77Å; L108-R115 WeakPolarHBondContact O-CA 3.3Å; L108-R115 VanDerWaalsContact O-CD 3.27Å; L108-R115 WeakPolarHBondContact O-CD 3.32Å; E109-R115 IonicContact OE1-CZ 3.73Å; E109-R115 IonicContact OE1-NH1 2.7Å; E109-R115 PolarHBondContact OE1-NH1 3.45Å; E109-R115 IonicContact OE1-NH2 3.65Å; R115-E118 HydrophobicContact CG-CG 3.88Å; R115-E118 IonicContact CZ-OE1 3.36Å; R115-E118 VanDerWaalsContact NE-CD 3.25Å; R115-E118 IonicContact NE-OE1 3.19Å; R115-E118 PolarHBondContact NE-OE1 2.84Å; R115-E118 IonicContact NH2-OE1 2.67Å; R115-E118 PolarHBondContact NH2-OE1 2.91Å; R115-W133 HydrophobicContact CB-CD2 4.16Å; R115-W133 HydrophobicContact CB-CE3 3.57Å; R115-W133 HydrophobicContact CB-CH2 3.48Å; R115-W133 VanDerWaalsContact CB-CH2 3.48Å; R115-W133 HydrophobicContact CB-CZ2 4.05Å; R115-W133 HydrophobicContact CB-CZ3 3.22Å; R115-W133 HydrophobicContact CG-CH2 4.02Å; R115-W133 HydrophobicContact CG-CZ3 4.1Å; R115-K198 PolarHBondContact NH2-O 3.07Å
116	Q	89.6	Confident	88.8	Confident	20 Å²	20	42.5 Å²	42.5	9%	0.093	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-41.7	168.2	-63.2	-174.7	79.4	0	0	110.6	L108 Y132 W133 L187 Q188 S192	L108-Q116 HydrophobicContact CD2-CB 4.01Å; L108-Q116 HydrophobicContact CG-CB 4.2Å; L108-Q116 PolarHBondContact O-N 3.18Å; Q116-Y132 WeakPolarHBondContact O-CA 3.38Å; Q116-W133 PolarHBondContact O-N 3.35Å; Q116-W133 VanDerWaalsContact O-N 3.08Å; Q116-L187 HydrophobicContact CB-CD2 3.85Å; Q116-Q188 PolarHBondContact NE2-O 2.67Å; Q116-Q188 VanDerWaalsContact NE2-O 3.11Å; Q116-S192 PolarHBondContact NE2-OG 3.28Å; Q116-S192 VanDerWaalsContact NE2-OG 3.11Å
117	F	91.9	Very high	88.8	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	156.8	160.5	77.1	-85.4	0	0	0	112.6	I106 G107 L108 I119 V131 F183 L187 M194 F215	I106-F117 HydrophobicContact CG2-CE2 4.24Å; I106-F117 HydrophobicContact CG2-CZ 4.49Å; G107-F117 WeakPolarHBondContact CA-O 3.26Å; L108-F117 HydrophobicContact CB-CD1 3.83Å; L108-F117 HydrophobicContact CB-CE1 3.85Å; L108-F117 HydrophobicContact CD2-CD1 3.9Å; L108-F117 HydrophobicContact CD2-CE1 3.77Å; L108-F117 HydrophobicContact CG-CE1 4.46Å; L108-F117 PolarHBondContact N-O 2.87Å; F117-I119 HydrophobicContact CD2-CG1 4.39Å; F117-I119 HydrophobicContact CE2-CD1 4.38Å; F117-I119 HydrophobicContact CE2-CG1 4.39Å; F117-V131 CarbonylContact C-O 3.51Å; F117-V131 WeakPolarHBondContact CA-O 3.29Å; F117-V131 WeakPolarHBondContact CB-O 3.48Å; F117-F183 HydrophobicContact CB-CE2 4.15Å; F117-F183 HydrophobicContact CD1-CE2 4.5Å; F117-F183 HydrophobicContact CG-CE2 4.28Å; F117-L187 HydrophobicContact CD1-CD1 4.1Å; F117-L187 HydrophobicContact CD1-CD2 3.91Å; F117-L187 HydrophobicContact CE1-CD1 4.05Å; F117-M194 HydrophobicContact CZ-CE 4.19Å; F117-F215 HydrophobicContact CZ-CZ 4.34Å
118	E	92.8	Very high	88.9	Confident	6 Å²	6	42.9 Å²	42.9	3%	0.028	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142.5	166.5	-64.1	-162	122.7	0	0	109.6	T104 I106 R115 V120 V131 W133 S200	T104-E118 HydrophobicContact CG2-CB 4.06Å; T104-E118 HydrophobicContact CG2-CG 4.22Å; I106-E118 CarbonylContact O-C 3.58Å; I106-E118 VanDerWaalsContact O-CA 3.31Å; I106-E118 WeakPolarHBondContact O-CA 3.45Å; R115-E118 HydrophobicContact CG-CG 3.88Å; R115-E118 IonicContact CZ-OE1 3.36Å; R115-E118 VanDerWaalsContact NE-CD 3.25Å; R115-E118 IonicContact NE-OE1 3.19Å; R115-E118 PolarHBondContact NE-OE1 2.84Å; R115-E118 IonicContact NH2-OE1 2.67Å; R115-E118 PolarHBondContact NH2-OE1 2.91Å; E118-V120 HydrophobicContact CB-CG2 3.83Å; E118-V131 PolarHBondContact N-O 2.93Å; E118-V131 PolarHBondContact O-N 3.1Å; E118-W133 HydrophobicContact CG-CZ3 4.47Å; E118-S200 WeakPolarHBondContact OE1-CB 3.43Å; E118-S200 PolarHBondContact OE1-N 2.62Å; E118-S200 PolarHBondContact OE1-OG 3.01Å; E118-S200 WeakPolarHBondContact OE2-CB 3.15Å; E118-S200 PolarHBondContact OE2-OG 2.63Å
119	I	95	Very high	89	Confident	1 Å²	1	43.1 Å²	43.1	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	122.5	165.5	-59.9	171.7	0	0	0	107.1	F91 T104 L105 I106 F117 L128 L130 L158	F91-I119 HydrophobicContact CD1-CD1 3.61Å; F91-I119 HydrophobicContact CE1-CD1 4.01Å; F91-I119 HydrophobicContact CE1-CG2 4.42Å; F91-I119 HydrophobicContact CG-CD1 4.07Å; T104-I119 CarbonylContact C-O 3.31Å; T104-I119 WeakPolarHBondContact CA-O 3.27Å; L105-I119 HydrophobicContact CD1-CG2 4.28Å; L105-I119 PolarHBondContact N-O 3.3Å; I106-I119 PolarHBondContact O-N 3.41Å; F117-I119 HydrophobicContact CD2-CG1 4.39Å; F117-I119 HydrophobicContact CE2-CD1 4.38Å; F117-I119 HydrophobicContact CE2-CG1 4.39Å; I119-L128 HydrophobicContact CG2-CD1 4.08Å; I119-L128 HydrophobicContact CG2-CD2 4.49Å; I119-L128 HydrophobicContact CG2-CG 4.41Å; I119-L130 HydrophobicContact CG1-CD1 4Å; I119-L158 HydrophobicContact CD1-CD2 4.04Å; I119-L158 HydrophobicContact CG1-CD2 4.5Å
120	V	94.8	Very high	89.1	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	119.6	-167.5	-168.6	0	0	0	0	111.7	R102 T104 E118 L128 D129	R102-V120 HydrophobicContact CG-CG1 3.8Å; T104-V120 HydrophobicContact CG2-CG2 4.29Å; E118-V120 HydrophobicContact CB-CG2 3.83Å; V120-L128 CarbonylContact O-C 3.5Å; V120-D129 HydrophobicContact CB-CB 4.23Å; V120-D129 PolarHBondContact N-O 2.85Å; V120-D129 PolarHBondContact O-N 3.17Å
121	S	94.4	Very high	89.5	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.007	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	122	172.5	171.6	0	0	0	0	110.1	Q97 R102 G103	Q97-S121 VanDerWaalsContact CD-OG 3.31Å; Q97-S121 PolarHBondContact NE2-O 3.43Å; Q97-S121 PolarHBondContact NE2-OG 2.77Å; Q97-S121 PolarHBondContact OE1-OG 2.85Å; R102-S121 CarbonylContact C-O 3.42Å; R102-S121 WeakPolarHBondContact CA-O 3.45Å; G103-S121 PolarHBondContact N-O 3.23Å; G103-S121 PolarHBondContact O-N 2.87Å
122	N	92.9	Very high	90.1	Very high	26 Å²	26	38.3 Å²	38.3	14%	0.139	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	77.5	-168.6	-178.7	14.3	0	0	0	111.9	R102 R124 A125 N126 T127	R102-N122 WeakPolarHBondContact CD-OD1 3.47Å; R102-N122 HydrophobicContact CG-CB 3.93Å; N122-R124 PolarHBondContact O-N 2.59Å; N122-A125 PolarHBondContact O-N 3.37Å; N122-N126 PolarHBondContact O-N 3.27Å; N122-T127 WeakPolarHBondContact CB-OG1 3.12Å; N122-T127 PolarHBondContact N-O 2.85Å; N122-T127 PolarHBondContact O-N 2.85Å
123	G	88.1	Confident	90.5	Very high	13 Å²	13	34.3 Å²	34.3	13%	0.134	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	6	-177.7	0	0	0	0	0	117.2	S100 S101	S100-G123 WeakPolarHBondContact CA-O 3.19Å; S101-G123 WeakPolarHBondContact O-CA 3.06Å; S101-G123 PolarHBondContact O-N 3.03Å
124	R	85.8	Confident	90.9	Very high	207 Å²	207	32.4 Å²	32.4	78%	0.781	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-37.1	169.3	-70.1	-172.7	175.5	-171.8	-4.8	112.9	S100 N122	S100-R124 WeakPolarHBondContact O-CG 3.43Å; S100-R124 PolarHBondContact O-NE 2.97Å; N122-R124 PolarHBondContact O-N 2.59Å
125	A	88.3	Confident	90.6	Very high	57 Å²	57	31.3 Å²	31.3	47%	0.471	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-4.7	173.2	0	0	0	0	0	112.4	N122 T127	N122-A125 PolarHBondContact O-N 3.37Å; A125-T127 HydrophobicContact CB-CG2 3.99Å; A125-T127 PolarHBondContact O-N 3.43Å
126	N	91.4	Very high	89.8	Confident	41 Å²	41	33 Å²	33	22%	0.219	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	15.9	-170.6	-146.9	24.6	0	0	0	115.3	N122 V146 D147	N122-N126 PolarHBondContact O-N 3.27Å; N126-V146 PolarHBondContact O-N 2.94Å; N126-D147 PolarHBondContact ND2-OD1 3.23Å; N126-D147 VanDerWaalsContact OD1-CA 3.3Å; N126-D147 WeakPolarHBondContact OD1-CA 3.08Å; N126-D147 PolarHBondContact OD1-N 2.76Å; N126-D147 VanDerWaalsContact OD1-N 3.17Å
127	T	94.4	Very high	89.3	Confident	7 Å²	7	35.7 Å²	35.7	4%	0.043	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	159.6	-173.9	56.2	0	0	0	0	114.3	N122 A125 D129 F143 E144	N122-T127 WeakPolarHBondContact CB-OG1 3.12Å; N122-T127 PolarHBondContact N-O 2.85Å; N122-T127 PolarHBondContact O-N 2.85Å; A125-T127 HydrophobicContact CB-CG2 3.99Å; A125-T127 PolarHBondContact O-N 3.43Å; T127-D129 WeakPolarHBondContact CB-OD1 3.4Å; T127-D129 PolarHBondContact OG1-OD1 2.84Å; T127-F143 CarbonylContact C-O 3.55Å; T127-F143 WeakPolarHBondContact CA-O 3.35Å; T127-F143 VanDerWaalsContact CB-O 3.31Å; T127-F143 WeakPolarHBondContact CB-O 3.12Å; T127-E144 HydrophobicContact CG2-CG 4.24Å
128	L	94.9	Very high	89.1	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	111.6	154.1	-175.1	75.4	0	0	0	108.5	L105 I119 V120 F143 V146 L148 I156 L167	L105-L128 HydrophobicContact CD1-CD1 4.17Å; I119-L128 HydrophobicContact CG2-CD1 4.08Å; I119-L128 HydrophobicContact CG2-CD2 4.49Å; I119-L128 HydrophobicContact CG2-CG 4.41Å; V120-L128 CarbonylContact O-C 3.5Å; L128-F143 HydrophobicContact CB-CB 4.43Å; L128-F143 HydrophobicContact CB-CD2 4.39Å; L128-F143 HydrophobicContact CD2-CD2 4.42Å; L128-F143 PolarHBondContact N-O 2.95Å; L128-F143 WeakPolarHBondContact O-CD2 3.26Å; L128-F143 PolarHBondContact O-N 2.95Å; L128-V146 HydrophobicContact CB-CG2 4.28Å; L128-L148 HydrophobicContact CB-CD1 4.17Å; L128-L148 HydrophobicContact CD1-CD1 3.89Å; L128-L148 HydrophobicContact CG-CD1 4.5Å; L128-I156 HydrophobicContact CD2-CG2 4.43Å; L128-L167 HydrophobicContact CB-CD2 3.95Å; L128-L167 HydrophobicContact CD2-CD1 3.52Å; L128-L167 HydrophobicContact CD2-CD2 3.69Å; L128-L167 HydrophobicContact CD2-CG 4.27Å; L128-L167 HydrophobicContact CG-CD2 4.46Å
129	D	94.2	Very high	88.9	Confident	5 Å²	5	42.8 Å²	42.8	3%	0.027	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	117.2	-178.9	-26.7	-39.5	0	0	0	109.9	R102 V120 T127 V131 V140	R102-D129 IonicContact CZ-OD2 3.81Å; R102-D129 IonicContact NE-OD2 3.23Å; R102-D129 PolarHBondContact NE-OD2 3.22Å; R102-D129 IonicContact NH2-OD2 3.96Å; R102-D129 PolarHBondContact NH2-OD2 2.9Å; V120-D129 HydrophobicContact CB-CB 4.23Å; V120-D129 PolarHBondContact N-O 2.85Å; V120-D129 PolarHBondContact O-N 3.17Å; T127-D129 WeakPolarHBondContact CB-OD1 3.4Å; T127-D129 PolarHBondContact OG1-OD1 2.84Å; D129-V131 HydrophobicContact CB-CG2 3.99Å; D129-V140 HydrophobicContact CB-CG1 4.36Å
130	L	93.6	Very high	88.7	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	106.9	159.6	174.1	66.8	0	0	0	107.9	I119 Y132 V141 I160 L179 F183	I119-L130 HydrophobicContact CG1-CD1 4Å; L130-Y132 HydrophobicContact CG-CD1 4.35Å; L130-V141 HydrophobicContact CB-CB 4.36Å; L130-V141 PolarHBondContact N-O 2.94Å; L130-V141 PolarHBondContact O-N 2.9Å; L130-I160 HydrophobicContact CD1-CD1 4.42Å; L130-I160 HydrophobicContact CD2-CD1 3.62Å; L130-L179 HydrophobicContact CD2-CD2 4.38Å; L130-F183 HydrophobicContact CD1-CZ 4.36Å; L130-F183 HydrophobicContact CD2-CE1 4.16Å; L130-F183 HydrophobicContact CD2-CZ 4.45Å
131	V	92.1	Very high	88.6	Confident	6 Å²	6	46.8 Å²	46.8	4%	0.036	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.2	-178.8	-173.3	0	0	0	0	109.1	F117 E118 D129 W133 Q138 N139 V140	F117-V131 CarbonylContact C-O 3.51Å; F117-V131 WeakPolarHBondContact CA-O 3.29Å; F117-V131 WeakPolarHBondContact CB-O 3.48Å; E118-V131 PolarHBondContact N-O 2.93Å; E118-V131 PolarHBondContact O-N 3.1Å; D129-V131 HydrophobicContact CB-CG2 3.99Å; V131-W133 HydrophobicContact CB-CH2 4.27Å; V131-W133 HydrophobicContact CB-CZ3 4.28Å; V131-W133 HydrophobicContact CG1-CE3 4.41Å; V131-W133 HydrophobicContact CG1-CH2 3.38Å; V131-W133 HydrophobicContact CG1-CZ2 3.91Å; V131-W133 HydrophobicContact CG1-CZ3 3.66Å; V131-Q138 HydrophobicContact CG1-CG 3.83Å; V131-N139 WeakPolarHBondContact CA-O 3.31Å; V131-V140 HydrophobicContact CG1-CG2 4.13Å; V131-V140 HydrophobicContact CG2-CG1 4.3Å; V131-V140 HydrophobicContact CG2-CG2 4.27Å
132	Y	92.1	Very high	88.6	Confident	1 Å²	1	48.5 Å²	48.5	0%	0.004	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	167.5	179.3	64.7	-91.2	0	0	0	111.9	Q116 L130 V134 N139 V141 L179 F183	Q116-Y132 WeakPolarHBondContact O-CA 3.38Å; L130-Y132 HydrophobicContact CG-CD1 4.35Å; Y132-V134 HydrophobicContact CD2-CG2 3.9Å; Y132-V134 HydrophobicContact CE2-CG2 3.91Å; Y132-N139 HydrophobicContact CD1-CB 4.27Å; Y132-N139 HydrophobicContact CD2-CB 3.93Å; Y132-N139 HydrophobicContact CE1-CB 3.86Å; Y132-N139 HydrophobicContact CE2-CB 3.49Å; Y132-N139 VanDerWaalsContact CE2-CB 3.49Å; Y132-N139 VanDerWaalsContact CE2-ND2 3.29Å; Y132-N139 WeakPolarHBondContact CE2-ND2 3.48Å; Y132-N139 HydrophobicContact CG-CB 4.31Å; Y132-N139 VanDerWaalsContact CZ-CB 3.44Å; Y132-N139 PolarHBondContact N-O 2.72Å; Y132-N139 PolarHBondContact O-N 2.98Å; Y132-N139 PolarHBondContact OH-ND2 2.76Å; Y132-V141 HydrophobicContact CE1-CG2 4.11Å; Y132-L179 HydrophobicContact CE1-CD2 4.39Å; Y132-F183 HydrophobicContact CD1-CD1 4.2Å; Y132-F183 HydrophobicContact CD1-CG 4.22Å; Y132-F183 HydrophobicContact CD2-CB 3.24Å; Y132-F183 HydrophobicContact CD2-CD1 4.37Å; Y132-F183 HydrophobicContact CD2-CD2 4.34Å; Y132-F183 AromaticContact CD2-CG 3.75Å; Y132-F183 HydrophobicContact CD2-CG 3.75Å; Y132-F183 HydrophobicContact CE1-CD1 4.4Å; Y132-F183 HydrophobicContact CE2-CB 3.53Å; Y132-F183 HydrophobicContact CE2-CG 4.23Å; Y132-F183 HydrophobicContact CG-CB 3.79Å; Y132-F183 HydrophobicContact CG-CD1 4.18Å; Y132-F183 HydrophobicContact CG-CD2 4.06Å; Y132-F183 AromaticContact CG-CG 3.74Å; Y132-F183 HydrophobicContact CG-CG 3.74Å
133	W	89.2	Confident	88.6	Confident	66 Å²	66	47.3 Å²	47.3	25%	0.25	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	118	-176	-71.6	-96.2	0	0	0	111.2	R115 Q116 E118 V131 S137 Q138	R115-W133 HydrophobicContact CB-CD2 4.16Å; R115-W133 HydrophobicContact CB-CE3 3.57Å; R115-W133 HydrophobicContact CB-CH2 3.48Å; R115-W133 VanDerWaalsContact CB-CH2 3.48Å; R115-W133 HydrophobicContact CB-CZ2 4.05Å; R115-W133 HydrophobicContact CB-CZ3 3.22Å; R115-W133 HydrophobicContact CG-CH2 4.02Å; R115-W133 HydrophobicContact CG-CZ3 4.1Å; Q116-W133 PolarHBondContact O-N 3.35Å; Q116-W133 VanDerWaalsContact O-N 3.08Å; E118-W133 HydrophobicContact CG-CZ3 4.47Å; V131-W133 HydrophobicContact CB-CH2 4.27Å; V131-W133 HydrophobicContact CB-CZ3 4.28Å; V131-W133 HydrophobicContact CG1-CE3 4.41Å; V131-W133 HydrophobicContact CG1-CH2 3.38Å; V131-W133 HydrophobicContact CG1-CZ2 3.91Å; V131-W133 HydrophobicContact CG1-CZ3 3.66Å; W133-S137 VanDerWaalsContact CA-O 3.25Å; W133-S137 WeakPolarHBondContact CA-O 3.48Å; W133-S137 WeakPolarHBondContact CB-O 3.28Å; W133-Q138 HydrophobicContact CD2-CG 4.38Å; W133-Q138 HydrophobicContact CZ2-CG 3.83Å
134	V	82.4	Confident	88.8	Confident	9 Å²	9	51 Å²	51	6%	0.055	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	135.7	172.1	-172	0	0	0	0	108.3	Y132 G136 S137 F183	Y132-V134 HydrophobicContact CD2-CG2 3.9Å; Y132-V134 HydrophobicContact CE2-CG2 3.91Å; V134-G136 PolarHBondContact O-N 2.65Å; V134-S137 PolarHBondContact N-O 2.65Å; V134-S137 PolarHBondContact O-N 2.9Å; V134-F183 HydrophobicContact CG2-CB 4.12Å
135	D	77.4	Confident	88.7	Confident	167 Å²	167	46.1 Å²	46.1	89%	0.893	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	17.5	-177.1	-84.5	5	0	0	0	117.5
136	G	70.6	Confident	88.6	Confident	58 Å²	58	43.6 Å²	43.6	60%	0.598	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	95.9	-8.5	-179.8	0	0	0	0	0	114.8	V134	V134-G136 PolarHBondContact O-N 2.65Å
137	S	79.6	Confident	88.5	Confident	77 Å²	77	46 Å²	46	54%	0.538	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	156.7	164.6	-67	0	0	0	0	110.6	W133 V134	W133-S137 VanDerWaalsContact CA-O 3.25Å; W133-S137 WeakPolarHBondContact CA-O 3.48Å; W133-S137 WeakPolarHBondContact CB-O 3.28Å; V134-S137 PolarHBondContact N-O 2.65Å; V134-S137 PolarHBondContact O-N 2.9Å
138	Q	87.6	Confident	88.2	Confident	114 Å²	114	45.8 Å²	45.8	53%	0.533	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	120.7	173.2	-177.2	-176.6	-44.9	0	0	109.3	V131 W133 V140	V131-Q138 HydrophobicContact CG1-CG 3.83Å; W133-Q138 HydrophobicContact CD2-CG 4.38Å; W133-Q138 HydrophobicContact CZ2-CG 3.83Å; Q138-V140 HydrophobicContact CG-CG2 4.39Å
139	N	88.8	Confident	88	Confident	41 Å²	41	46.3 Å²	46.3	22%	0.219	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	146.4	175.8	-59.9	5.5	0	0	0	108.7	V131 Y132	V131-N139 WeakPolarHBondContact CA-O 3.31Å; Y132-N139 HydrophobicContact CD1-CB 4.27Å; Y132-N139 HydrophobicContact CD2-CB 3.93Å; Y132-N139 HydrophobicContact CE1-CB 3.86Å; Y132-N139 HydrophobicContact CE2-CB 3.49Å; Y132-N139 VanDerWaalsContact CE2-CB 3.49Å; Y132-N139 VanDerWaalsContact CE2-ND2 3.29Å; Y132-N139 WeakPolarHBondContact CE2-ND2 3.48Å; Y132-N139 HydrophobicContact CG-CB 4.31Å; Y132-N139 VanDerWaalsContact CZ-CB 3.44Å; Y132-N139 PolarHBondContact N-O 2.72Å; Y132-N139 PolarHBondContact O-N 2.98Å; Y132-N139 PolarHBondContact OH-ND2 2.76Å
140	V	91.1	Very high	87.7	Confident	73 Å²	73	47.5 Å²	47.5	44%	0.442	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	116.6	-177.5	-178.2	0	0	0	0	108.6	D129 V131 Q138	D129-V140 HydrophobicContact CB-CG1 4.36Å; V131-V140 HydrophobicContact CG1-CG2 4.13Å; V131-V140 HydrophobicContact CG2-CG1 4.3Å; V131-V140 HydrophobicContact CG2-CG2 4.27Å; Q138-V140 HydrophobicContact CG-CG2 4.39Å
141	V	91.6	Very high	87.4	Confident	12 Å²	12	49 Å²	49	7%	0.073	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	112.7	170.7	174	0	0	0	0	107.2	L130 Y132 F143 F177 L179	L130-V141 HydrophobicContact CB-CB 4.36Å; L130-V141 PolarHBondContact N-O 2.94Å; L130-V141 PolarHBondContact O-N 2.9Å; Y132-V141 HydrophobicContact CE1-CG2 4.11Å; V141-F143 HydrophobicContact CG1-CE2 4.5Å; V141-F143 HydrophobicContact CG1-CZ 4.37Å; V141-F177 HydrophobicContact CG1-CB 3.75Å; V141-F177 HydrophobicContact CG1-CD1 4.18Å; V141-F177 HydrophobicContact CG1-CD2 3.76Å; V141-F177 HydrophobicContact CG1-CE2 4.4Å; V141-F177 HydrophobicContact CG1-CG 3.62Å; V141-L179 HydrophobicContact CG2-CD2 3.84Å
142	S	94.3	Very high	87.3	Confident	37 Å²	37	54.6 Å²	54.6	26%	0.259	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	105.2	-176	-67.6	0	0	0	0	109.7	E144	S142-E144 PolarHBondContact O-N 3.44Å
143	F	94.1	Very high	87.3	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	126.5	167.5	-56.1	-79.6	0	0	0	108.7	T127 L128 V141 V146 L158 A165 L167 D175 F177	T127-F143 CarbonylContact C-O 3.55Å; T127-F143 WeakPolarHBondContact CA-O 3.35Å; T127-F143 VanDerWaalsContact CB-O 3.31Å; T127-F143 WeakPolarHBondContact CB-O 3.12Å; L128-F143 HydrophobicContact CB-CB 4.43Å; L128-F143 HydrophobicContact CB-CD2 4.39Å; L128-F143 HydrophobicContact CD2-CD2 4.42Å; L128-F143 PolarHBondContact N-O 2.95Å; L128-F143 WeakPolarHBondContact O-CD2 3.26Å; L128-F143 PolarHBondContact O-N 2.95Å; V141-F143 HydrophobicContact CG1-CE2 4.5Å; V141-F143 HydrophobicContact CG1-CZ 4.37Å; F143-V146 HydrophobicContact CB-CG2 4.08Å; F143-V146 WeakPolarHBondContact O-CG2 3.35Å; F143-L158 HydrophobicContact CE2-CD1 3.56Å; F143-L158 HydrophobicContact CZ-CD1 3.6Å; F143-A165 VanDerWaalsContact CE1-O 3.26Å; F143-A165 WeakPolarHBondContact CE1-O 3.41Å; F143-A165 HydrophobicContact CZ-CB 4.11Å; F143-A165 WeakPolarHBondContact CZ-O 3.47Å; F143-L167 HydrophobicContact CB-CB 4.44Å; F143-L167 HydrophobicContact CB-CD2 3.41Å; F143-L167 VanDerWaalsContact CB-CD2 3.41Å; F143-L167 HydrophobicContact CD1-CB 3.68Å; F143-L167 HydrophobicContact CD1-CD2 4.24Å; F143-L167 HydrophobicContact CD2-CB 4.11Å; F143-L167 HydrophobicContact CD2-CD2 3.79Å; F143-L167 HydrophobicContact CD2-CG 4.48Å; F143-L167 HydrophobicContact CE1-CB 3.82Å; F143-L167 HydrophobicContact CE2-CB 4.27Å; F143-L167 HydrophobicContact CG-CB 3.82Å; F143-L167 HydrophobicContact CG-CD2 3.56Å; F143-L167 HydrophobicContact CG-CG 4.32Å; F143-L167 HydrophobicContact CZ-CB 4.13Å; F143-D175 WeakPolarHBondContact CA-OD2 3.47Å; F143-D175 HydrophobicContact CB-CB 4.37Å; F143-D175 HydrophobicContact CD1-CB 3.85Å; F143-F177 AromaticContact CD1-CD2 3.68Å; F143-F177 HydrophobicContact CD1-CD2 3.68Å; F143-F177 HydrophobicContact CD1-CE2 4.08Å; F143-F177 HydrophobicContact CE1-CB 4.5Å; F143-F177 AromaticContact CE1-CD2 3.71Å; F143-F177 HydrophobicContact CE1-CD2 3.71Å
144	E	90.5	Very high	87.4	Confident	92 Å²	92	56 Å²	56	43%	0.43	31%	0.313	S	S	.	.			trans	-92.9	166.7	-175.5	-62.3	-153.1	145.8	0	0	113.6	T127 S142 V146 D175 K665	T127-E144 HydrophobicContact CG2-CG 4.24Å; S142-E144 PolarHBondContact O-N 3.44Å; E144-V146 WeakPolarHBondContact O-CG2 3.36Å; E144-V146 PolarHBondContact O-N 2.8Å; E144-D175 PolarHBondContact N-OD2 2.03Å; E144-K665 IonicContact OE2-NZ 3.78Å; E144-K665 PolarHBondContact OE2-NZ 3.26Å
145	D	84	Confident	87.8	Confident	103 Å²	103	56.5 Å²	56.5	55%	0.551	32%	0.315	S	S	*	.	S	Bend	trans	52.5	33.1	169.1	-66.5	-49.4	0	0	0	115.7	D147 K665	D145-D147 PolarHBondContact O-N 3.27Å; D145-K665 IonicContact OD2-NZ 3.83Å; D145-K665 PolarHBondContact OD2-NZ 2.84Å
146	V	86.6	Confident	88.6	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.03	27%	0.273	C	S	.	.			trans	-82.9	-12.3	-168.6	-159.5	0	0	0	0	113.9	N126 L128 F143 E144 L148 L167 V169	N126-V146 PolarHBondContact O-N 2.94Å; L128-V146 HydrophobicContact CB-CG2 4.28Å; F143-V146 HydrophobicContact CB-CG2 4.08Å; F143-V146 WeakPolarHBondContact O-CG2 3.35Å; E144-V146 WeakPolarHBondContact O-CG2 3.36Å; E144-V146 PolarHBondContact O-N 2.8Å; V146-L148 HydrophobicContact CB-CD1 4.34Å; V146-L148 HydrophobicContact CB-CG 3.99Å; V146-L148 HydrophobicContact CG1-CD1 3.83Å; V146-L148 HydrophobicContact CG1-CD2 3.86Å; V146-L148 HydrophobicContact CG1-CG 3.58Å; V146-L148 PolarHBondContact O-N 2.83Å; V146-L167 HydrophobicContact CG1-CD2 3.7Å; V146-L167 HydrophobicContact CG2-CD2 4.04Å; V146-V169 HydrophobicContact CG1-CG2 3.69Å
147	D	88.6	Confident	89.8	Confident	91 Å²	91	45.8 Å²	45.8	49%	0.487	24%	0.244	S	C	.	.			trans	54.7	29.1	173.6	-97.1	12.4	0	0	0	115.7	N126 D145 A149 K154	N126-D147 PolarHBondContact ND2-OD1 3.23Å; N126-D147 VanDerWaalsContact OD1-CA 3.3Å; N126-D147 WeakPolarHBondContact OD1-CA 3.08Å; N126-D147 PolarHBondContact OD1-N 2.76Å; N126-D147 VanDerWaalsContact OD1-N 3.17Å; D145-D147 PolarHBondContact O-N 3.27Å; D147-A149 VanDerWaalsContact C-N 3.34Å; D147-A149 PolarHBondContact O-N 3.22Å; D147-K154 VanDerWaalsContact O-CE 3.22Å; D147-K154 WeakPolarHBondContact O-CE 3.18Å; D147-K154 PolarHBondContact O-NZ 2.96Å
148	L	89.6	Confident	90.5	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.016	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-19.9	-173.8	-65.5	-177.5	0	0	0	114.9	I95 L128 V146 K154 I156 V169	I95-L148 HydrophobicContact CD1-CB 4.24Å; I95-L148 HydrophobicContact CD1-CD1 4.34Å; I95-L148 HydrophobicContact CD1-CD2 4.47Å; L128-L148 HydrophobicContact CB-CD1 4.17Å; L128-L148 HydrophobicContact CD1-CD1 3.89Å; L128-L148 HydrophobicContact CG-CD1 4.5Å; V146-L148 HydrophobicContact CB-CD1 4.34Å; V146-L148 HydrophobicContact CB-CG 3.99Å; V146-L148 HydrophobicContact CG1-CD1 3.83Å; V146-L148 HydrophobicContact CG1-CD2 3.86Å; V146-L148 HydrophobicContact CG1-CG 3.58Å; V146-L148 PolarHBondContact O-N 2.83Å; L148-K154 HydrophobicContact CD2-CB 4.04Å; L148-K154 HydrophobicContact CD2-CG 4.28Å; L148-I156 HydrophobicContact CD1-CD1 3.69Å; L148-I156 HydrophobicContact CD2-CD1 3.78Å; L148-I156 HydrophobicContact CD2-CG1 3.92Å; L148-I156 HydrophobicContact CG-CD1 4.38Å; L148-V169 HydrophobicContact CD2-CG1 4.42Å; L148-V169 HydrophobicContact CD2-CG2 4.14Å
149	A	89.4	Confident	90.8	Very high	11 Å²	11	38.6 Å²	38.6	9%	0.091	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.9	34.2	-169.8	0	0	0	0	0	113.9	Q97 R99 D147 S151	Q97-A149 HydrophobicContact CG-CB 4.22Å; R99-A149 VanDerWaalsContact CA-O 3.31Å; R99-A149 WeakPolarHBondContact CA-O 3.15Å; R99-A149 WeakPolarHBondContact CG-O 2.92Å; D147-A149 VanDerWaalsContact C-N 3.34Å; D147-A149 PolarHBondContact O-N 3.22Å; A149-S151 VanDerWaalsContact C-N 3.33Å
150	D	88.4	Confident	91	Very high	30 Å²	30	36.7 Å²	36.7	16%	0.16	19%	0.192	C	C	.	.	S	Bend	trans	-81.6	-9.1	177.7	67.9	-7.7	0	0	0	114.3	R99 Q152 K154	R99-D150 PolarHBondContact NE-O 3.13Å; R99-D150 PolarHBondContact NH2-O 3.22Å; D150-Q152 WeakPolarHBondContact OD1-CA 3.33Å; D150-Q152 VanDerWaalsContact OD1-CB 3.32Å; D150-Q152 WeakPolarHBondContact OD1-CB 3.25Å; D150-Q152 PolarHBondContact OD1-N 2.95Å; D150-Q152 WeakPolarHBondContact OD2-CB 2.97Å; D150-Q152 WeakPolarHBondContact OD2-CG 3.44Å; D150-Q152 PolarHBondContact OD2-NE2 2.83Å; D150-K154 VanDerWaalsContact OD1-CE 3.3Å; D150-K154 WeakPolarHBondContact OD1-CE 3.34Å; D150-K154 IonicContact OD1-NZ 3.85Å; D150-K154 WeakPolarHBondContact OD2-CE 3.44Å; D150-K154 IonicContact OD2-NZ 2.84Å; D150-K154 PolarHBondContact OD2-NZ 2.81Å
151	S	88	Confident	91	Very high	32 Å²	32	37.7 Å²	37.7	22%	0.224	19%	0.192	C	C	.	.	S	Bend	trans	69.1	24.7	-167.6	-66.3	0	0	0	0	115.7	R96 Q97 R99 A149	R96-S151 VanDerWaalsContact CZ-O 3.22Å; R96-S151 PolarHBondContact NE-O 3.06Å; R96-S151 PolarHBondContact NH2-O 2.82Å; Q97-S151 VanDerWaalsContact O-CA 3.26Å; Q97-S151 WeakPolarHBondContact O-CA 3.21Å; Q97-S151 PolarHBondContact O-N 3.37Å; Q97-S151 PolarHBondContact O-OG 3.14Å; Q97-S151 VanDerWaalsContact O-OG 3.11Å; R99-S151 PolarHBondContact N-OG 2.8Å; A149-S151 VanDerWaalsContact C-N 3.33Å
152	Q	89.8	Confident	90.8	Very high	125 Å²	125	38 Å²	38	58%	0.584	20%	0.197	S	C	*	.	S	Bend	trans	-96.1	-174.5	163	-56.4	-168.4	67.9	0	0	110.9	R96 D150	R96-Q152 VanDerWaalsContact CA-O 3.23Å; R96-Q152 WeakPolarHBondContact CA-O 3.39Å; R96-Q152 WeakPolarHBondContact CB-O 3.06Å; R96-Q152 WeakPolarHBondContact CG-O 3.25Å; D150-Q152 WeakPolarHBondContact OD1-CA 3.33Å; D150-Q152 VanDerWaalsContact OD1-CB 3.32Å; D150-Q152 WeakPolarHBondContact OD1-CB 3.25Å; D150-Q152 PolarHBondContact OD1-N 2.95Å; D150-Q152 WeakPolarHBondContact OD2-CB 2.97Å; D150-Q152 WeakPolarHBondContact OD2-CG 3.44Å; D150-Q152 PolarHBondContact OD2-NE2 2.83Å
153	W	91.3	Very high	90.4	Very high	57 Å²	57	41.8 Å²	41.8	22%	0.216	21%	0.211	C	C	.	.			trans	-95.5	132.5	170.4	-80.4	108	0	0	0	109.8	Q53 A59 I95 R96 L209 Q211	Q53-W153 HydrophobicContact CB-CB 4.37Å; Q53-W153 HydrophobicContact CB-CD2 3.78Å; Q53-W153 HydrophobicContact CB-CE3 4.21Å; Q53-W153 HydrophobicContact CB-CG 3.85Å; Q53-W153 HydrophobicContact CG-CB 4.36Å; Q53-W153 HydrophobicContact CG-CG 4.33Å; A59-W153 HydrophobicContact CB-CH2 3.98Å; A59-W153 HydrophobicContact CB-CZ2 4.42Å; I95-W153 VanDerWaalsContact C-CE3 3.49Å; I95-W153 CarbonylContact O-C 3.56Å; I95-W153 WeakPolarHBondContact O-CA 3.29Å; R96-W153 HydrophobicContact CB-CD2 3.65Å; R96-W153 HydrophobicContact CB-CE3 3.72Å; R96-W153 HydrophobicContact CB-CG 4.14Å; R96-W153 HydrophobicContact CB-CH2 4.32Å; R96-W153 HydrophobicContact CB-CZ2 4.26Å; R96-W153 HydrophobicContact CB-CZ3 4.06Å; W153-L209 HydrophobicContact CH2-CB 3.76Å; W153-L209 HydrophobicContact CZ2-CB 4.11Å; W153-L209 HydrophobicContact CZ2-CD1 4.16Å; W153-Q211 HydrophobicContact CH2-CB 4.08Å; W153-Q211 HydrophobicContact CZ3-CB 4.01Å
154	K	91.6	Very high	90.1	Very high	38 Å²	38	45.7 Å²	45.7	17%	0.165	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	134.6	177.8	-53.9	-84.1	169.3	144.7	0	108.2	S94 I95 D147 L148 D150 V169	S94-K154 WeakPolarHBondContact CA-O 3.27Å; I95-K154 HydrophobicContact CG1-CB 4.43Å; I95-K154 PolarHBondContact N-O 3.26Å; I95-K154 PolarHBondContact O-N 3.42Å; D147-K154 VanDerWaalsContact O-CE 3.22Å; D147-K154 WeakPolarHBondContact O-CE 3.18Å; D147-K154 PolarHBondContact O-NZ 2.96Å; L148-K154 HydrophobicContact CD2-CB 4.04Å; L148-K154 HydrophobicContact CD2-CG 4.28Å; D150-K154 VanDerWaalsContact OD1-CE 3.3Å; D150-K154 WeakPolarHBondContact OD1-CE 3.34Å; D150-K154 IonicContact OD1-NZ 3.85Å; D150-K154 WeakPolarHBondContact OD2-CE 3.44Å; D150-K154 IonicContact OD2-NZ 2.84Å; D150-K154 PolarHBondContact OD2-NZ 2.81Å; K154-V169 HydrophobicContact CB-CG1 4.4Å; K154-V169 HydrophobicContact CD-CG1 4.36Å
155	N	91.9	Very high	90.2	Very high	20 Å²	20	41.3 Å²	41.3	11%	0.107	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	130.6	168.5	-77.8	-27.5	0	0	0	108.2	Y54 S94 V169 G170	Y54-N155 PolarHBondContact OH-ND2 2.03Å; S94-N155 WeakPolarHBondContact CB-OD1 3.17Å; S94-N155 PolarHBondContact OG-OD1 3.18Å; N155-V169 CarbonylContact O-C 3.58Å; N155-V169 VanDerWaalsContact O-CA 3.31Å; N155-V169 WeakPolarHBondContact O-CA 3.45Å; N155-G170 PolarHBondContact O-N 2.8Å
156	I	94.1	Very high	90.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	139.7	176.7	-58.7	172.7	0	0	0	108.3	I92 A93 I95 L105 L128 L148 L167 R228	I92-I156 WeakPolarHBondContact CA-O 3.09Å; A93-I156 PolarHBondContact N-O 2.85Å; A93-I156 PolarHBondContact O-N 3.44Å; I95-I156 HydrophobicContact CD1-CD1 3.62Å; I95-I156 HydrophobicContact CG1-CD1 3.91Å; L105-I156 HydrophobicContact CD1-CD1 4.21Å; L128-I156 HydrophobicContact CD2-CG2 4.43Å; L148-I156 HydrophobicContact CD1-CD1 3.69Å; L148-I156 HydrophobicContact CD2-CD1 3.78Å; L148-I156 HydrophobicContact CD2-CG1 3.92Å; L148-I156 HydrophobicContact CG-CD1 4.38Å; I156-L167 HydrophobicContact CG2-CD1 3.7Å; I156-R228 PolarHBondContact O-NH1 3.06Å
157	T	94.8	Very high	91.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	112.8	161.9	-51.7	0	0	0	0	107	V90 F91 I92 F168 V221 V224 R228	V90-T157 HydrophobicContact CG1-CG2 3.66Å; F91-T157 CarbonylContact O-C 3.52Å; F91-T157 WeakPolarHBondContact O-CA 3.15Å; I92-T157 HydrophobicContact CG2-CG2 3.92Å; T157-F168 PolarHBondContact N-O 3.04Å; T157-F168 PolarHBondContact O-N 2.77Å; T157-V221 HydrophobicContact CG2-CG2 4.34Å; T157-V224 HydrophobicContact CG2-CG1 4.2Å; T157-R228 PolarHBondContact OG1-NH1 3.41Å
158	L	94.6	Very high	91.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	116.7	170.3	174.4	64.7	0	0	0	107.3	F91 I119 F143 I160 L167	F91-L158 HydrophobicContact CB-CB 4.43Å; F91-L158 HydrophobicContact CD1-CB 4.38Å; F91-L158 PolarHBondContact N-O 3.24Å; F91-L158 PolarHBondContact O-N 3.04Å; I119-L158 HydrophobicContact CD1-CD2 4.04Å; I119-L158 HydrophobicContact CG1-CD2 4.5Å; F143-L158 HydrophobicContact CE2-CD1 3.56Å; F143-L158 HydrophobicContact CZ-CD1 3.6Å; L158-I160 HydrophobicContact CD2-CD1 4.39Å; L158-I160 HydrophobicContact CG-CG1 4.23Å; L158-L167 HydrophobicContact CB-CD1 4.28Å; L158-L167 HydrophobicContact CD1-CB 4.39Å; L158-L167 HydrophobicContact CD1-CD1 4.4Å
159	H	94.8	Very high	91.4	Very high	40 Å²	40	35.8 Å²	35.8	19%	0.185	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.6	177.7	177.5	-142.4	0	0	0	108.9	V90 A165 N166 F168 V221	V90-H159 HydrophobicContact CG2-CB 4.45Å; V90-H159 VanDerWaalsContact CG2-CD2 3.46Å; V90-H159 WeakPolarHBondContact CG2-CD2 3.34Å; H159-A165 CarbonylContact O-C 3.56Å; H159-A165 WeakPolarHBondContact O-CA 3.29Å; H159-N166 PolarHBondContact N-O 3.33Å; H159-N166 PolarHBondContact O-N 3.34Å; H159-F168 HydrophobicContact CB-CE2 4.5Å; H159-V221 HydrophobicContact CB-CB 4.49Å; H159-V221 HydrophobicContact CB-CG2 4Å
160	I	92.8	Very high	91.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.7	171.1	-53.5	-173.4	0	0	0	106.9	G88 F89 L130 L158 N164 A165 L179 F183 Y184	G88-I160 CarbonylContact C-O 3.42Å; G88-I160 VanDerWaalsContact CA-O 3.24Å; G88-I160 WeakPolarHBondContact CA-O 3.38Å; F89-I160 HydrophobicContact CE1-CD1 4.1Å; F89-I160 HydrophobicContact CE2-CD1 3.93Å; F89-I160 HydrophobicContact CE2-CG1 4.21Å; F89-I160 HydrophobicContact CZ-CD1 3.55Å; F89-I160 HydrophobicContact CZ-CG1 4.27Å; F89-I160 PolarHBondContact N-O 3.49Å; F89-I160 PolarHBondContact O-N 3.05Å; L130-I160 HydrophobicContact CD1-CD1 4.42Å; L130-I160 HydrophobicContact CD2-CD1 3.62Å; L158-I160 HydrophobicContact CD2-CD1 4.39Å; L158-I160 HydrophobicContact CG-CG1 4.23Å; I160-N164 CarbonylContact C-O 3.6Å; I160-N164 VanDerWaalsContact CA-O 3.31Å; I160-N164 WeakPolarHBondContact CA-O 3.47Å; I160-A165 HydrophobicContact CG1-CB 4.17Å; I160-L179 HydrophobicContact CG2-CD1 3.89Å; I160-F183 HydrophobicContact CD1-CE1 3.92Å; I160-F183 HydrophobicContact CD1-CZ 3.95Å; I160-F183 HydrophobicContact CG2-CE1 4.47Å; I160-Y184 HydrophobicContact CG2-CD1 4.31Å; I160-Y184 HydrophobicContact CG2-CE1 4.28Å
161	H	90.1	Very high	91.1	Very high	95 Å²	95	38.6 Å²	38.6	44%	0.44	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	126.3	173.8	178.7	55.1	0	0	0	110.6	N86 E87 N164	N86-H161 PolarHBondContact O-ND1 3.12Å; E87-H161 CarbonylContact O-C 3.53Å; E87-H161 WeakPolarHBondContact O-CA 3.48Å; H161-N164 PolarHBondContact N-O 3.45Å; H161-N164 PolarHBondContact O-N 3.23Å; H161-N164 VanDerWaalsContact O-N 3.12Å
162	G	86.8	Confident	90.8	Very high	19 Å²	19	40.5 Å²	40.5	20%	0.196	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	-139.8	-165.6	0	0	0	0	0	110.4	E87 N164 Y184	E87-G162 PolarHBondContact O-N 3.11Å; G162-N164 PolarHBondContact O-N 3.36Å; G162-Y184 VanDerWaalsContact CA-OH 3.26Å; G162-Y184 WeakPolarHBondContact CA-OH 3.39Å; G162-Y184 WeakPolarHBondContact O-CE1 3.39Å; G162-Y184 PolarHBondContact O-OH 3Å
163	E	86.4	Confident	90.7	Very high	116 Å²	116	38.8 Å²	38.8	54%	0.542	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-9.6	174.1	-64.1	168.1	-179.6	0	0	112.9	I178 L179	E163-I178 HydrophobicContact CB-CG2 3.94Å; E163-I178 CarbonylContact O-C 3.52Å; E163-I178 WeakPolarHBondContact O-CA 3.24Å; E163-L179 WeakPolarHBondContact O-CB 3.46Å; E163-L179 WeakPolarHBondContact O-CG 3.43Å; E163-L179 PolarHBondContact O-N 2.78Å
164	N	88.6	Confident	90.5	Very high	82 Å²	82	39.5 Å²	39.5	44%	0.439	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	134.5	-173.6	-67.8	-16.2	0	0	0	112.8	I160 H161 G162	I160-N164 CarbonylContact C-O 3.6Å; I160-N164 VanDerWaalsContact CA-O 3.31Å; I160-N164 WeakPolarHBondContact CA-O 3.47Å; H161-N164 PolarHBondContact N-O 3.45Å; H161-N164 PolarHBondContact O-N 3.23Å; H161-N164 VanDerWaalsContact O-N 3.12Å; G162-N164 PolarHBondContact O-N 3.36Å
165	A	92.3	Very high	90.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	105.3	173.4	0	0	0	0	0	110.6	F143 H159 I160 F177 L179	F143-A165 VanDerWaalsContact CE1-O 3.26Å; F143-A165 WeakPolarHBondContact CE1-O 3.41Å; F143-A165 HydrophobicContact CZ-CB 4.11Å; F143-A165 WeakPolarHBondContact CZ-O 3.47Å; H159-A165 CarbonylContact O-C 3.56Å; H159-A165 WeakPolarHBondContact O-CA 3.29Å; I160-A165 HydrophobicContact CG1-CB 4.17Å; A165-F177 PolarHBondContact N-O 3Å; A165-F177 PolarHBondContact O-N 2.99Å; A165-L179 HydrophobicContact CB-CD1 4.25Å; A165-L179 HydrophobicContact CB-CD2 3.96Å; A165-L179 HydrophobicContact CB-CG 4.07Å
166	N	93.7	Very high	90.3	Very high	38 Å²	38	41.4 Å²	41.4	20%	0.203	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.1	-172.4	-61	-1.5	0	0	0	110.9	H159 F168 L173 S176	H159-N166 PolarHBondContact N-O 3.33Å; H159-N166 PolarHBondContact O-N 3.34Å; N166-F168 HydrophobicContact CB-CE2 3.96Å; N166-L173 HydrophobicContact CB-CD1 3.99Å; N166-S176 VanDerWaalsContact CG-OG 3.28Å; N166-S176 WeakPolarHBondContact OD1-CB 3.13Å; N166-S176 PolarHBondContact OD1-OG 3.08Å; N166-S176 VanDerWaalsContact OD1-OG 3.13Å
167	L	95.4	Very high	90	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.2	-179.3	-179.8	61.4	0	0	0	112.3	L128 F143 V146 I156 L158 I174 D175	L128-L167 HydrophobicContact CB-CD2 3.95Å; L128-L167 HydrophobicContact CD2-CD1 3.52Å; L128-L167 HydrophobicContact CD2-CD2 3.69Å; L128-L167 HydrophobicContact CD2-CG 4.27Å; L128-L167 HydrophobicContact CG-CD2 4.46Å; F143-L167 HydrophobicContact CB-CB 4.44Å; F143-L167 HydrophobicContact CB-CD2 3.41Å; F143-L167 VanDerWaalsContact CB-CD2 3.41Å; F143-L167 HydrophobicContact CD1-CB 3.68Å; F143-L167 HydrophobicContact CD1-CD2 4.24Å; F143-L167 HydrophobicContact CD2-CB 4.11Å; F143-L167 HydrophobicContact CD2-CD2 3.79Å; F143-L167 HydrophobicContact CD2-CG 4.48Å; F143-L167 HydrophobicContact CE1-CB 3.82Å; F143-L167 HydrophobicContact CE2-CB 4.27Å; F143-L167 HydrophobicContact CG-CB 3.82Å; F143-L167 HydrophobicContact CG-CD2 3.56Å; F143-L167 HydrophobicContact CG-CG 4.32Å; F143-L167 HydrophobicContact CZ-CB 4.13Å; V146-L167 HydrophobicContact CG1-CD2 3.7Å; V146-L167 HydrophobicContact CG2-CD2 4.04Å; I156-L167 HydrophobicContact CG2-CD1 3.7Å; L158-L167 HydrophobicContact CB-CD1 4.28Å; L158-L167 HydrophobicContact CD1-CB 4.39Å; L158-L167 HydrophobicContact CD1-CD1 4.4Å; L167-I174 PolarHBondContact O-N 2.7Å; L167-D175 PolarHBondContact N-O 2.87Å; L167-D175 PolarHBondContact O-N 3.23Å
168	F	93.1	Very high	89.6	Confident	26 Å²	26	50.8 Å²	50.8	11%	0.114	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.1	172.7	-54.7	-107.1	0	0	0	111.4	T157 H159 N166 S172 L173 V221 L225	T157-F168 PolarHBondContact N-O 3.04Å; T157-F168 PolarHBondContact O-N 2.77Å; H159-F168 HydrophobicContact CB-CE2 4.5Å; N166-F168 HydrophobicContact CB-CE2 3.96Å; F168-S172 CarbonylContact C-O 3.55Å; F168-S172 WeakPolarHBondContact CA-O 3.37Å; F168-S172 WeakPolarHBondContact CB-O 3.23Å; F168-L173 HydrophobicContact CD1-CB 3.87Å; F168-L173 HydrophobicContact CD1-CD1 4.1Å; F168-L173 HydrophobicContact CD2-CD1 4.13Å; F168-L173 HydrophobicContact CE1-CB 3.79Å; F168-L173 HydrophobicContact CE1-CD1 3.86Å; F168-L173 HydrophobicContact CE1-CG 4.4Å; F168-L173 HydrophobicContact CE2-CD1 3.88Å; F168-L173 HydrophobicContact CG-CD1 4.23Å; F168-L173 HydrophobicContact CZ-CD1 3.75Å; F168-V221 HydrophobicContact CD2-CG2 4.3Å; F168-V221 HydrophobicContact CE2-CG2 3.75Å; F168-V221 HydrophobicContact CZ-CG2 4.11Å; F168-L225 HydrophobicContact CB-CD2 4.45Å; F168-L225 HydrophobicContact CD1-CD1 3.79Å; F168-L225 HydrophobicContact CD1-CD2 4.46Å; F168-L225 HydrophobicContact CE1-CD1 3.75Å; F168-L225 HydrophobicContact CG-CD1 4.4Å; F168-L225 HydrophobicContact CZ-CD1 4.31Å
169	V	91.1	Very high	89	Confident	21 Å²	21	50.9 Å²	50.9	13%	0.127	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	121.5	171	179.9	0	0	0	0	109.7	V146 L148 K154 N155 C171 S172 I174	V146-V169 HydrophobicContact CG1-CG2 3.69Å; L148-V169 HydrophobicContact CD2-CG1 4.42Å; L148-V169 HydrophobicContact CD2-CG2 4.14Å; K154-V169 HydrophobicContact CB-CG1 4.4Å; K154-V169 HydrophobicContact CD-CG1 4.36Å; N155-V169 CarbonylContact O-C 3.58Å; N155-V169 VanDerWaalsContact O-CA 3.31Å; N155-V169 WeakPolarHBondContact O-CA 3.45Å; V169-C171 PolarHBondContact O-N 2.8Å; V169-S172 PolarHBondContact N-O 3.04Å; V169-S172 PolarHBondContact O-N 3.42Å; V169-I174 HydrophobicContact CB-CD1 4.07Å; V169-I174 HydrophobicContact CB-CG1 3.71Å; V169-I174 HydrophobicContact CG2-CG1 3.69Å
170	G	87.1	Confident	88	Confident	30 Å²	30	55.6 Å²	55.6	31%	0.309	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.4	-113	-166	0	0	0	0	0	110.4	N155	N155-G170 PolarHBondContact O-N 2.8Å
171	C	84.3	Confident	87.2	Confident	70 Å²	70	60.2 Å²	60.2	47%	0.473	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-8.2	174.9	-58.6	0	0	0	0	113.1	V169 C230	V169-C171 PolarHBondContact O-N 2.8Å; C171-C230 VanDerWaalsContact CA-SG 3.52Å; C171-C230 HydrophobicContact CB-CB 3.72Å; C171-C230 WeakPolarHBondContact CB-SG 3.35Å; C171-C230 VanDerWaalsContact SG-CA 3.51Å; C171-C230 WeakPolarHBondContact SG-CB 3.11Å; C171-C230 CovalentContact SG-SG 2.03Å; C171-C230 PolarHBondContact SG-SG 2.84Å
172	S	81.9	Confident	86.9	Confident	73 Å²	73	57.1 Å²	57.1	51%	0.51	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	133.6	-177.9	-56.3	0	0	0	0	110.2	F168 V169 I174	F168-S172 CarbonylContact C-O 3.55Å; F168-S172 WeakPolarHBondContact CA-O 3.37Å; F168-S172 WeakPolarHBondContact CB-O 3.23Å; V169-S172 PolarHBondContact N-O 3.04Å; V169-S172 PolarHBondContact O-N 3.42Å; S172-I174 PolarHBondContact O-N 3.46Å
173	L	89.1	Confident	86.9	Confident	88 Å²	88	56.4 Å²	56.4	46%	0.461	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	127.5	155.3	-176.4	67.8	0	0	0	107.1	N166 F168	N166-L173 HydrophobicContact CB-CD1 3.99Å; F168-L173 HydrophobicContact CD1-CB 3.87Å; F168-L173 HydrophobicContact CD1-CD1 4.1Å; F168-L173 HydrophobicContact CD2-CD1 4.13Å; F168-L173 HydrophobicContact CE1-CB 3.79Å; F168-L173 HydrophobicContact CE1-CD1 3.86Å; F168-L173 HydrophobicContact CE1-CG 4.4Å; F168-L173 HydrophobicContact CE2-CD1 3.88Å; F168-L173 HydrophobicContact CG-CD1 4.23Å; F168-L173 HydrophobicContact CZ-CD1 3.75Å
174	I	87.1	Confident	87	Confident	72 Å²	72	51.3 Å²	51.3	37%	0.369	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-47	175.3	-58.7	-54.4	0	0	0	109.2	L167 V169 S172	L167-I174 PolarHBondContact O-N 2.7Å; V169-I174 HydrophobicContact CB-CD1 4.07Å; V169-I174 HydrophobicContact CB-CG1 3.71Å; V169-I174 HydrophobicContact CG2-CG1 3.69Å; S172-I174 PolarHBondContact O-N 3.46Å
175	D	86.9	Confident	86.8	Confident	44 Å²	44	53.4 Å²	53.4	24%	0.235	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	155.5	-167	-167.9	4.8	0	0	0	110.6	F143 E144 L167 F177	F143-D175 WeakPolarHBondContact CA-OD2 3.47Å; F143-D175 HydrophobicContact CB-CB 4.37Å; F143-D175 HydrophobicContact CD1-CB 3.85Å; E144-D175 PolarHBondContact N-OD2 2.03Å; L167-D175 PolarHBondContact N-O 2.87Å; L167-D175 PolarHBondContact O-N 3.23Å; D175-F177 WeakPolarHBondContact OD2-CE2 3.19Å
176	S	90.7	Very high	86.5	Confident	54 Å²	54	57.3 Å²	57.3	38%	0.378	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	122.1	-177.6	-71.6	0	0	0	0	111.3	N166	N166-S176 VanDerWaalsContact CG-OG 3.28Å; N166-S176 WeakPolarHBondContact OD1-CB 3.13Å; N166-S176 PolarHBondContact OD1-OG 3.08Å; N166-S176 VanDerWaalsContact OD1-OG 3.13Å
177	F	88.1	Confident	86.2	Confident	79 Å²	79	56 Å²	56	35%	0.346	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	152.5	175.8	-83.3	-89.9	0	0	0	112	V141 F143 A165 D175	V141-F177 HydrophobicContact CG1-CB 3.75Å; V141-F177 HydrophobicContact CG1-CD1 4.18Å; V141-F177 HydrophobicContact CG1-CD2 3.76Å; V141-F177 HydrophobicContact CG1-CE2 4.4Å; V141-F177 HydrophobicContact CG1-CG 3.62Å; F143-F177 AromaticContact CD1-CD2 3.68Å; F143-F177 HydrophobicContact CD1-CD2 3.68Å; F143-F177 HydrophobicContact CD1-CE2 4.08Å; F143-F177 HydrophobicContact CE1-CB 4.5Å; F143-F177 AromaticContact CE1-CD2 3.71Å; F143-F177 HydrophobicContact CE1-CD2 3.71Å; A165-F177 PolarHBondContact N-O 3Å; A165-F177 PolarHBondContact O-N 2.99Å; D175-F177 WeakPolarHBondContact OD2-CE2 3.19Å
178	I	86.4	Confident	85.7	Confident	119 Å²	119	61.7 Å²	61.7	61%	0.61	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.9	136	159.6	-55.6	177.9	0	0	0	107	E163	E163-I178 HydrophobicContact CB-CG2 3.94Å; E163-I178 CarbonylContact O-C 3.52Å; E163-I178 WeakPolarHBondContact O-CA 3.24Å
179	L	81.4	Confident	85.1	Confident	2 Å²	2	61.6 Å²	61.6	1%	0.01	34%	0.336	C	S	.	.			trans	-90.4	131.2	177.9	-58.5	174.6	0	0	0	109.1	L130 Y132 V141 I160 E163 A165 E181 F183	L130-L179 HydrophobicContact CD2-CD2 4.38Å; Y132-L179 HydrophobicContact CE1-CD2 4.39Å; V141-L179 HydrophobicContact CG2-CD2 3.84Å; I160-L179 HydrophobicContact CG2-CD1 3.89Å; E163-L179 WeakPolarHBondContact O-CB 3.46Å; E163-L179 WeakPolarHBondContact O-CG 3.43Å; E163-L179 PolarHBondContact O-N 2.78Å; A165-L179 HydrophobicContact CB-CD1 4.25Å; A165-L179 HydrophobicContact CB-CD2 3.96Å; A165-L179 HydrophobicContact CB-CG 4.07Å; L179-E181 PolarHBondContact O-N 2.88Å; L179-F183 HydrophobicContact CD1-CD1 4.03Å; L179-F183 HydrophobicContact CD1-CE1 4.02Å
180	D	74.9	Confident	84.7	Confident	139 Å²	139	66 Å²	66	74%	0.743	36%	0.359	S	S	*	.	S	Bend	trans	-58	-32.2	-179.5	-51.4	-71.7	0	0	0	113.2
181	E	75.5	Confident	84.4	Confident	98 Å²	98	67.2 Å²	67.2	46%	0.458	37%	0.372	S	S	.	.	S	Bend	trans	-148.2	150.1	175.1	-67.2	-174.4	159	0	0	111.1	L179 F183	L179-E181 PolarHBondContact O-N 2.88Å; E181-F183 VanDerWaalsContact C-N 3.33Å; E181-F183 PolarHBondContact O-N 3.43Å
182	P	83.2	Confident	84.7	Confident	30 Å²	30	64.3 Å²	64.3	20%	0.195	35%	0.352	C	S	.	.			trans	-72	80.2	177.3	30.2	-36.2	0	0	0	112.2	Y184 E185	P182-Y184 HydrophobicContact CB-CD1 4.49Å; P182-Y184 HydrophobicContact CB-CE1 3.81Å; P182-Y184 HydrophobicContact CB-CE2 3.85Å; P182-Y184 VanDerWaalsContact CB-CZ 3.44Å; P182-Y184 WeakPolarHBondContact CB-OH 3.06Å; P182-Y184 PolarHBondContact O-N 3.24Å; P182-E185 HydrophobicContact CB-CG 4.32Å; P182-E185 HydrophobicContact CG-CG 4.33Å; P182-E185 PolarHBondContact O-N 2.92Å; P182-E185 VanDerWaalsContact O-N 3.13Å
183	F	88.6	Confident	85.1	Confident	3 Å²	3	67.3 Å²	67.3	1%	0.013	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-22.3	-175.4	79.2	-86.7	0	0	0	115	F89 F117 L130 Y132 V134 I160 L179 E181 E185 H186 L187	F89-F183 HydrophobicContact CE1-CZ 4.25Å; F89-F183 HydrophobicContact CZ-CZ 4.46Å; F117-F183 HydrophobicContact CB-CE2 4.15Å; F117-F183 HydrophobicContact CD1-CE2 4.5Å; F117-F183 HydrophobicContact CG-CE2 4.28Å; L130-F183 HydrophobicContact CD1-CZ 4.36Å; L130-F183 HydrophobicContact CD2-CE1 4.16Å; L130-F183 HydrophobicContact CD2-CZ 4.45Å; Y132-F183 HydrophobicContact CD1-CD1 4.2Å; Y132-F183 HydrophobicContact CD1-CG 4.22Å; Y132-F183 HydrophobicContact CD2-CB 3.24Å; Y132-F183 HydrophobicContact CD2-CD1 4.37Å; Y132-F183 HydrophobicContact CD2-CD2 4.34Å; Y132-F183 AromaticContact CD2-CG 3.75Å; Y132-F183 HydrophobicContact CD2-CG 3.75Å; Y132-F183 HydrophobicContact CE1-CD1 4.4Å; Y132-F183 HydrophobicContact CE2-CB 3.53Å; Y132-F183 HydrophobicContact CE2-CG 4.23Å; Y132-F183 HydrophobicContact CG-CB 3.79Å; Y132-F183 HydrophobicContact CG-CD1 4.18Å; Y132-F183 HydrophobicContact CG-CD2 4.06Å; Y132-F183 AromaticContact CG-CG 3.74Å; Y132-F183 HydrophobicContact CG-CG 3.74Å; V134-F183 HydrophobicContact CG2-CB 4.12Å; I160-F183 HydrophobicContact CD1-CE1 3.92Å; I160-F183 HydrophobicContact CD1-CZ 3.95Å; I160-F183 HydrophobicContact CG2-CE1 4.47Å; L179-F183 HydrophobicContact CD1-CD1 4.03Å; L179-F183 HydrophobicContact CD1-CE1 4.02Å; E181-F183 VanDerWaalsContact C-N 3.33Å; E181-F183 PolarHBondContact O-N 3.43Å; F183-E185 VanDerWaalsContact C-N 3.31Å; F183-E185 PolarHBondContact O-N 3.46Å; F183-H186 PolarHBondContact O-N 3.2Å; F183-L187 HydrophobicContact CD2-CD2 4.46Å; F183-L187 HydrophobicContact CE2-CD1 4.42Å
184	Y	87.3	Confident	85.3	Confident	10 Å²	10	63.1 Å²	63.1	4%	0.039	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-26.2	-178.5	48.7	-101.1	0	0	0	113.5	I83 Q84 E87 I160 G162 P182 H186 L187	I83-Y184 HydrophobicContact CG2-CG 4.42Å; Q84-Y184 WeakPolarHBondContact CG-O 3.45Å; Q84-Y184 PolarHBondContact NE2-O 3.34Å; E87-Y184 VanDerWaalsContact C-CZ 3.5Å; E87-Y184 HydrophobicContact CB-CE2 4.21Å; E87-Y184 VanDerWaalsContact O-CZ 3.28Å; E87-Y184 PolarHBondContact O-OH 3.11Å; I160-Y184 HydrophobicContact CG2-CD1 4.31Å; I160-Y184 HydrophobicContact CG2-CE1 4.28Å; G162-Y184 VanDerWaalsContact CA-OH 3.26Å; G162-Y184 WeakPolarHBondContact CA-OH 3.39Å; G162-Y184 WeakPolarHBondContact O-CE1 3.39Å; G162-Y184 PolarHBondContact O-OH 3Å; P182-Y184 HydrophobicContact CB-CD1 4.49Å; P182-Y184 HydrophobicContact CB-CE1 3.81Å; P182-Y184 HydrophobicContact CB-CE2 3.85Å; P182-Y184 VanDerWaalsContact CB-CZ 3.44Å; P182-Y184 WeakPolarHBondContact CB-OH 3.06Å; P182-Y184 PolarHBondContact O-N 3.24Å; Y184-H186 PolarHBondContact O-N 3.48Å; Y184-L187 WeakPolarHBondContact O-CB 2.98Å; Y184-L187 WeakPolarHBondContact O-CG 3.02Å; Y184-L187 PolarHBondContact O-N 2.87Å
185	E	85.6	Confident	85.5	Confident	125 Å²	125	60.7 Å²	60.7	58%	0.584	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-34	172.2	-62.3	-165.7	161.8	0	0	112	Q84 P182 F183 L187	Q84-E185 PolarHBondContact NE2-O 3.2Å; P182-E185 HydrophobicContact CB-CG 4.32Å; P182-E185 HydrophobicContact CG-CG 4.33Å; P182-E185 PolarHBondContact O-N 2.92Å; P182-E185 VanDerWaalsContact O-N 3.13Å; F183-E185 VanDerWaalsContact C-N 3.31Å; F183-E185 PolarHBondContact O-N 3.46Å; E185-L187 VanDerWaalsContact C-N 3.26Å; E185-L187 PolarHBondContact O-N 2.89Å
186	H	85.2	Confident	85.7	Confident	83 Å²	83	58.8 Å²	58.8	38%	0.384	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-3.3	-175.6	-63.9	88.5	0	0	0	113.6	F183 Y184 Q188	F183-H186 PolarHBondContact O-N 3.2Å; Y184-H186 PolarHBondContact O-N 3.48Å; H186-Q188 PolarHBondContact O-N 3.05Å
187	L	87.8	Confident	85.6	Confident	11 Å²	11	56.2 Å²	56.2	6%	0.058	29%	0.288	C	S	.	.			trans	-76	124.4	-175.4	-61.1	178.7	0	0	0	113.1	L80 I83 Q84 L108 Q116 F117 F183 Y184 E185	L80-L187 HydrophobicContact CD2-CB 4.13Å; L80-L187 HydrophobicContact CD2-CD1 3.96Å; I83-L187 HydrophobicContact CG2-CD1 4.32Å; Q84-L187 PolarHBondContact NE2-O 2.77Å; L108-L187 HydrophobicContact CD2-CD2 4.22Å; Q116-L187 HydrophobicContact CB-CD2 3.85Å; F117-L187 HydrophobicContact CD1-CD1 4.1Å; F117-L187 HydrophobicContact CD1-CD2 3.91Å; F117-L187 HydrophobicContact CE1-CD1 4.05Å; F183-L187 HydrophobicContact CD2-CD2 4.46Å; F183-L187 HydrophobicContact CE2-CD1 4.42Å; Y184-L187 WeakPolarHBondContact O-CB 2.98Å; Y184-L187 WeakPolarHBondContact O-CG 3.02Å; Y184-L187 PolarHBondContact O-N 2.87Å; E185-L187 VanDerWaalsContact C-N 3.26Å; E185-L187 PolarHBondContact O-N 2.89Å
188	Q	84.8	Confident	85.6	Confident	119 Å²	119	54 Å²	54	56%	0.556	28%	0.279	S	S	*	.			trans	-99.3	127.1	-179	-58.3	-177.2	8.6	0	0	111.5	Q116 H186 S192	Q116-Q188 PolarHBondContact NE2-O 2.67Å; Q116-Q188 VanDerWaalsContact NE2-O 3.11Å; H186-Q188 PolarHBondContact O-N 3.05Å; Q188-S192 VanDerWaalsContact O-CB 3.28Å; Q188-S192 WeakPolarHBondContact O-CB 3.32Å; Q188-S192 PolarHBondContact O-OG 2.77Å
189	A	80.4	Confident	85.3	Confident	24 Å²	24	48.4 Å²	48.4	20%	0.198	25%	0.25	C	S	.	.			trans	-86.1	-35.5	177.1	0	0	0	0	0	114.4	K77 L80 G191 S192	K77-A189 HydrophobicContact CB-CB 4.22Å; K77-A189 HydrophobicContact CD-CB 4.28Å; K77-A189 HydrophobicContact CG-CB 3.88Å; L80-A189 HydrophobicContact CB-CB 4.44Å; L80-A189 HydrophobicContact CD1-CB 3.76Å; A189-G191 PolarHBondContact O-N 3.07Å; A189-S192 PolarHBondContact O-N 2.76Å
190	D	83.2	Confident	85.1	Confident	113 Å²	113	51.3 Å²	51.3	60%	0.604	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	110.3	-167.4	-74.1	-30.8	0	0	0	112.4	K77	K77-D190 IonicContact NZ-OD1 3.89Å; K77-D190 PolarHBondContact NZ-OD1 3.23Å; K77-D190 IonicContact NZ-OD2 2.95Å; K77-D190 PolarHBondContact NZ-OD2 2.95Å
191	G	80.9	Confident	85.1	Confident	56 Å²	56	49.6 Å²	49.6	58%	0.577	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.5	-13.5	-176.8	0	0	0	0	0	114.6	A189	A189-G191 PolarHBondContact O-N 3.07Å
192	S	90.3	Very high	84.8	Confident	8 Å²	8	54.9 Å²	54.9	6%	0.056	28%	0.276	C	S	.	.			trans	-73.2	163.7	-176.4	-58.2	0	0	0	0	114.2	E109 Q116 Q188 A189	E109-S192 CarbonylContact O-C 3.57Å; E109-S192 VanDerWaalsContact O-CA 3.25Å; E109-S192 WeakPolarHBondContact O-CA 3.25Å; E109-S192 VanDerWaalsContact O-CB 3.3Å; E109-S192 WeakPolarHBondContact O-CB 3.04Å; Q116-S192 PolarHBondContact NE2-OG 3.28Å; Q116-S192 VanDerWaalsContact NE2-OG 3.11Å; Q188-S192 VanDerWaalsContact O-CB 3.28Å; Q188-S192 WeakPolarHBondContact O-CB 3.32Å; Q188-S192 PolarHBondContact O-OG 2.77Å; A189-S192 PolarHBondContact O-N 2.76Å
193	R	90.9	Very high	84.2	Confident	137 Å²	137	60.2 Å²	60.2	52%	0.517	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	116	-178	-60.8	-177.4	-170	158.6	6.8	111.6	P70 E109 Y195	P70-R193 HydrophobicContact CB-CB 4.1Å; E109-R193 HydrophobicContact CB-CB 4.42Å; E109-R193 PolarHBondContact N-O 2.96Å; E109-R193 PolarHBondContact O-N 3.37Å; R193-Y195 HydrophobicContact CB-CD2 4.31Å; R193-Y195 HydrophobicContact CB-CE2 3.58Å; R193-Y195 WeakPolarHBondContact CD-OH 3.46Å
194	M	92.4	Very high	83.7	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	138.4	171.1	-173.9	-175.2	-72.2	0	0	110.7	L34 P70 V71 L76 I79 I106 G107 L108 F117 F215	L34-M194 HydrophobicContact CD1-SD 4.14Å; L34-M194 HydrophobicContact CD2-SD 4.47Å; P70-M194 CarbonylContact C-O 3.52Å; P70-M194 VanDerWaalsContact CA-O 3.22Å; P70-M194 WeakPolarHBondContact CA-O 3.37Å; P70-M194 WeakPolarHBondContact CB-O 3.45Å; V71-M194 HydrophobicContact CB-CB 4.08Å; V71-M194 HydrophobicContact CG2-CB 3.82Å; V71-M194 HydrophobicContact CG2-CG 3.99Å; V71-M194 HydrophobicContact CG2-SD 4Å; V71-M194 PolarHBondContact N-O 2.83Å; L76-M194 HydrophobicContact CD1-CB 3.69Å; L76-M194 HydrophobicContact CD1-CE 3.82Å; L76-M194 HydrophobicContact CD1-SD 4.44Å; L76-M194 HydrophobicContact CD2-CB 4.31Å; I79-M194 HydrophobicContact CG2-CE 4.49Å; I106-M194 HydrophobicContact CG2-CG 3.9Å; I106-M194 HydrophobicContact CG2-SD 4.13Å; G107-M194 WeakPolarHBondContact O-CA 3.22Å; L108-M194 HydrophobicContact CD1-CB 4.05Å; F117-M194 HydrophobicContact CZ-CE 4.19Å; M194-F215 HydrophobicContact CE-CE2 3.82Å; M194-F215 HydrophobicContact CE-CZ 4.21Å; M194-F215 HydrophobicContact SD-CE2 3.73Å; M194-F215 HydrophobicContact SD-CZ 4.47Å
195	Y	91.8	Very high	83.6	Confident	21 Å²	21	61.4 Å²	61.4	8%	0.082	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	142	177.4	-65.1	-91	0	0	0	111.6	L68 P70 I106 G107 E109 R193 K198	L68-Y195 WeakPolarHBondContact O-CE1 3.25Å; P70-Y195 HydrophobicContact CB-CD1 4.08Å; P70-Y195 HydrophobicContact CB-CE1 3.7Å; P70-Y195 HydrophobicContact CB-CE2 4.31Å; P70-Y195 HydrophobicContact CG-CE1 4.2Å; I106-Y195 WeakPolarHBondContact CA-O 3.37Å; G107-Y195 PolarHBondContact N-O 3.01Å; G107-Y195 PolarHBondContact O-N 3.37Å; E109-Y195 VanDerWaalsContact OE1-CD2 3.25Å; E109-Y195 WeakPolarHBondContact OE1-CD2 3.01Å; E109-Y195 VanDerWaalsContact OE1-CE2 3.32Å; E109-Y195 WeakPolarHBondContact OE1-CE2 3.31Å; E109-Y195 WeakPolarHBondContact OE2-CE2 3.49Å; R193-Y195 HydrophobicContact CB-CD2 4.31Å; R193-Y195 HydrophobicContact CB-CE2 3.58Å; R193-Y195 WeakPolarHBondContact CD-OH 3.46Å; Y195-K198 HydrophobicContact CD1-CD 3.72Å; Y195-K198 HydrophobicContact CD2-CD 3.88Å; Y195-K198 HydrophobicContact CE1-CD 4.17Å; Y195-K198 HydrophobicContact CE2-CD 4.32Å; Y195-K198 VanDerWaalsContact CE2-NZ 3.33Å; Y195-K198 HydrophobicContact CG-CB 4.5Å; Y195-K198 HydrophobicContact CG-CD 3.56Å
196	V	91.1	Very high	83.8	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.024	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	141.9	170.4	-171.3	0	0	0	0	109.8	L34 F35 L105 K198 V213	L34-V196 HydrophobicContact CB-CG2 3.71Å; L34-V196 HydrophobicContact CD1-CG2 4.14Å; F35-V196 HydrophobicContact CE1-CB 4.47Å; F35-V196 HydrophobicContact CE1-CG1 3.77Å; F35-V196 HydrophobicContact CZ-CG1 4.49Å; L105-V196 WeakPolarHBondContact O-CA 3.45Å; V196-K198 PolarHBondContact O-N 2.82Å; V196-V213 HydrophobicContact CG1-CG1 4.32Å; V196-V213 HydrophobicContact CG1-CG2 4.49Å
197	A	88.5	Confident	84	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.283	C	S	.	.	S	Bend	trans	61.1	-2	177.4	0	0	0	0	0	117.5	F62 F65 T104 L105 F206 I210	F62-A197 HydrophobicContact CB-CB 4.33Å; F62-A197 HydrophobicContact CD1-CB 4.48Å; F62-A197 HydrophobicContact CD2-CB 3.28Å; F62-A197 HydrophobicContact CE2-CB 3.62Å; F62-A197 HydrophobicContact CG-CB 3.77Å; F62-A197 HydrophobicContact CZ-CB 4.35Å; F65-A197 WeakPolarHBondContact CD1-O 3.44Å; T104-A197 CarbonylContact O-C 3.6Å; T104-A197 VanDerWaalsContact O-CA 3.26Å; T104-A197 WeakPolarHBondContact O-CA 3.32Å; L105-A197 PolarHBondContact O-N 3.3Å; A197-F206 HydrophobicContact CB-CB 4.19Å; A197-F206 PolarHBondContact O-N 3.35Å; A197-I210 HydrophobicContact CB-CD1 4.04Å
198	K	87.3	Confident	84.1	Confident	33 Å²	33	57.3 Å²	57.3	14%	0.143	28%	0.281	C	S	.	.			trans	-103.8	92.2	-175.8	-179.2	-143.7	172.5	-167	0	110.7	F65 L68 E109 R115 Y195 V196	F65-K198 HydrophobicContact CB-CG 4.47Å; L68-K198 HydrophobicContact CD1-CB 4.46Å; E109-K198 IonicContact OE1-NZ 3.53Å; E109-K198 PolarHBondContact OE1-NZ 2.87Å; E109-K198 IonicContact OE2-NZ 3.53Å; E109-K198 PolarHBondContact OE2-NZ 2.89Å; R115-K198 PolarHBondContact NH2-O 3.07Å; Y195-K198 HydrophobicContact CD1-CD 3.72Å; Y195-K198 HydrophobicContact CD2-CD 3.88Å; Y195-K198 HydrophobicContact CE1-CD 4.17Å; Y195-K198 HydrophobicContact CE2-CD 4.32Å; Y195-K198 VanDerWaalsContact CE2-NZ 3.33Å; Y195-K198 HydrophobicContact CG-CB 4.5Å; Y195-K198 HydrophobicContact CG-CD 3.56Å; V196-K198 PolarHBondContact O-N 2.82Å
199	G	81.4	Confident	84.5	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.01	26%	0.261	C	S	.	.			trans	-65.6	161.6	169.3	0	0	0	0	0	114.8	T104 I201 H205	T104-G199 WeakPolarHBondContact OG1-CA 3.44Å; G199-I201 PolarHBondContact O-N 2.8Å; G199-H205 PolarHBondContact N-ND1 2.85Å; G199-H205 PolarHBondContact O-CE1 3.4Å; G199-H205 PolarHBondContact O-ND1 2.96Å
200	S	75.3	Confident	85.2	Confident	63 Å²	63	51.7 Å²	51.7	44%	0.441	25%	0.252	S	S	.	.	S	Bend	trans	-54.3	-39	-178.4	40	0	0	0	0	115.2	E118	E118-S200 WeakPolarHBondContact OE1-CB 3.43Å; E118-S200 PolarHBondContact OE1-N 2.62Å; E118-S200 PolarHBondContact OE1-OG 3.01Å; E118-S200 WeakPolarHBondContact OE2-CB 3.15Å; E118-S200 PolarHBondContact OE2-OG 2.63Å
201	I	76.3	Confident	85.6	Confident	102 Å²	102	46.3 Å²	46.3	52%	0.523	22%	0.223	S	C	.	.	S	Bend	trans	-123.3	160.4	173.9	58.3	166.6	0	0	0	111.5	G199 E203 N204	G199-I201 PolarHBondContact O-N 2.8Å; I201-E203 PolarHBondContact O-N 3.31Å; I201-N204 HydrophobicContact CG1-CB 4.1Å; I201-N204 WeakPolarHBondContact CG1-ND2 3.47Å; I201-N204 PolarHBondContact O-N 3.14Å
202	R	68	Low	86	Confident	209 Å²	209	44.5 Å²	44.5	79%	0.789	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-24	-171.8	-167.3	174.5	178.4	-158.7	-3	114.9	H205	R202-H205 WeakPolarHBondContact CA-NE2 3.47Å; R202-H205 PolarHBondContact O-CD2 2.82Å; R202-H205 VanDerWaalsContact O-CD2 3.26Å
203	E	71.3	Confident	86.1	Confident	143 Å²	143	44.2 Å²	44.2	67%	0.668	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-25.2	-177.8	-53.7	-160.5	155	0	0	113.1	I201 H205	I201-E203 PolarHBondContact O-N 3.31Å; E203-H205 VanDerWaalsContact C-N 3.28Å; E203-H205 PolarHBondContact O-N 2.85Å
204	N	78.6	Confident	86.2	Confident	25 Å²	25	41.1 Å²	41.1	13%	0.134	19%	0.186	C	C	.	.	S	Bend	trans	-81.8	3.2	177.6	-72	-16.3	0	0	0	113.7	R102 G103 T104 I201	R102-N204 VanDerWaalsContact NH1-CG 3.33Å; R102-N204 PolarHBondContact NH1-ND2 3.04Å; R102-N204 PolarHBondContact NH1-OD1 3.16Å; G103-N204 WeakPolarHBondContact CA-O 3.42Å; T104-N204 PolarHBondContact N-O 3.31Å; T104-N204 PolarHBondContact OG1-O 3.5Å; I201-N204 HydrophobicContact CG1-CB 4.1Å; I201-N204 WeakPolarHBondContact CG1-ND2 3.47Å; I201-N204 PolarHBondContact O-N 3.14Å
205	H	84	Confident	86.3	Confident	13 Å²	13	41.1 Å²	41.1	6%	0.06	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-73.2	137.8	178.3	-62.1	-29.5	0	0	0	112.2	F65 G199 R202 E203 R207	F65-H205 HydrophobicContact CB-CB 4.41Å; F65-H205 VanDerWaalsContact CB-CD2 3.46Å; F65-H205 WeakPolarHBondContact CB-CD2 3.25Å; F65-H205 WeakPolarHBondContact CB-NE2 3.38Å; F65-H205 HydrophobicContact CD1-CB 3.62Å; F65-H205 AromaticContact CD1-CG 3.92Å; F65-H205 HydrophobicContact CD2-CB 3.69Å; F65-H205 AromaticContact CD2-CD2 3.21Å; F65-H205 WeakPolarHBondContact CD2-CD2 3.33Å; F65-H205 AromaticContact CD2-CG 3.67Å; F65-H205 HydrophobicContact CE1-CB 3.64Å; F65-H205 HydrophobicContact CE2-CB 3.74Å; F65-H205 AromaticContact CE2-CD2 3.98Å; F65-H205 HydrophobicContact CG-CB 3.63Å; F65-H205 AromaticContact CG-CD2 3.36Å; F65-H205 WeakPolarHBondContact CG-CD2 3.38Å; F65-H205 AromaticContact CG-CG 3.49Å; F65-H205 VanDerWaalsContact CG-CG 3.49Å; F65-H205 AromaticContact CG-NE2 3.97Å; F65-H205 HydrophobicContact CZ-CB 3.71Å; G199-H205 PolarHBondContact N-ND1 2.85Å; G199-H205 PolarHBondContact O-CE1 3.4Å; G199-H205 PolarHBondContact O-ND1 2.96Å; R202-H205 WeakPolarHBondContact CA-NE2 3.47Å; R202-H205 PolarHBondContact O-CD2 2.82Å; R202-H205 VanDerWaalsContact O-CD2 3.26Å; E203-H205 VanDerWaalsContact C-N 3.28Å; E203-H205 PolarHBondContact O-N 2.85Å; H205-R207 WeakPolarHBondContact O-CG 3.45Å; H205-R207 PolarHBondContact O-N 2.96Å
206	F	90.6	Very high	86.3	Confident	2 Å²	2	41 Å²	41	1%	0.009	19%	0.186	C	C	.	.			trans	-63.8	130.8	-172.4	-175.9	-87.7	0	0	0	114.1	F65 I95 Q97 L105 A197 I210	F65-F206 WeakPolarHBondContact CE1-O 3.34Å; I95-F206 HydrophobicContact CB-CZ 4.14Å; I95-F206 HydrophobicContact CD1-CE2 4.31Å; I95-F206 HydrophobicContact CG2-CZ 4.5Å; Q97-F206 HydrophobicContact CB-CE2 4.03Å; Q97-F206 HydrophobicContact CB-CZ 3.87Å; Q97-F206 HydrophobicContact CG-CE2 3.99Å; Q97-F206 HydrophobicContact CG-CZ 4.2Å; Q97-F206 VanDerWaalsContact OE1-CE2 3.23Å; L105-F206 HydrophobicContact CD2-CD2 3.51Å; L105-F206 HydrophobicContact CD2-CE2 3.54Å; L105-F206 HydrophobicContact CD2-CG 4.42Å; L105-F206 HydrophobicContact CD2-CZ 4.47Å; A197-F206 HydrophobicContact CB-CB 4.19Å; A197-F206 PolarHBondContact O-N 3.35Å; F206-I210 HydrophobicContact CB-CD1 4.29Å; F206-I210 HydrophobicContact CD1-CD1 3.58Å; F206-I210 HydrophobicContact CD1-CG1 3.57Å; F206-I210 HydrophobicContact CD2-CD1 4.22Å; F206-I210 HydrophobicContact CE1-CD1 3.87Å; F206-I210 HydrophobicContact CE1-CG1 3.34Å; F206-I210 HydrophobicContact CE2-CD1 4.45Å; F206-I210 HydrophobicContact CE2-CG1 4.43Å; F206-I210 HydrophobicContact CG-CD1 3.77Å; F206-I210 HydrophobicContact CG-CG1 4.22Å; F206-I210 HydrophobicContact CZ-CD1 4.3Å; F206-I210 HydrophobicContact CZ-CG1 3.83Å
207	R	88.9	Confident	86.2	Confident	128 Å²	128	41 Å²	41	48%	0.483	19%	0.187	S	C	.	.			trans	-115.1	108.9	179.9	-53	-172.3	-167.6	-172.4	5.4	109.9	D98 H205	D98-R207 HydrophobicContact CB-CB 4.32Å; D98-R207 PolarHBondContact N-O 2.87Å; H205-R207 WeakPolarHBondContact O-CG 3.45Å; H205-R207 PolarHBondContact O-N 2.96Å
208	G	90.8	Very high	85.9	Confident	3 Å²	3	45.4 Å²	45.4	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.1	-145.8	-174.1	0	0	0	0	0	112.8	R61 R96 D98	R61-G208 WeakPolarHBondContact CB-O 3.04Å; R61-G208 WeakPolarHBondContact CG-O 3.4Å; R61-G208 PolarHBondContact NE-O 2.85Å; R96-G208 CarbonylContact O-C 3.51Å; R96-G208 WeakPolarHBondContact O-CA 3.45Å; D98-G208 PolarHBondContact OD2-N 2.81Å
209	L	93.2	Very high	85.5	Confident	23 Å²	23	46.5 Å²	46.5	12%	0.12	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	143.1	165.9	-71.7	161.7	0	0	0	109.1	F50 Y60 R61 R96 W153	F50-L209 HydrophobicContact CB-CD2 3.78Å; F50-L209 HydrophobicContact CD2-CD2 3.7Å; F50-L209 HydrophobicContact CG-CD2 3.87Å; Y60-L209 WeakPolarHBondContact O-CA 3.1Å; R61-L209 HydrophobicContact CB-CD2 3.76Å; R96-L209 HydrophobicContact CB-CB 4.32Å; R96-L209 PolarHBondContact N-O 2.81Å; R96-L209 PolarHBondContact O-N 3.29Å; W153-L209 HydrophobicContact CH2-CB 3.76Å; W153-L209 HydrophobicContact CZ2-CB 4.11Å; W153-L209 HydrophobicContact CZ2-CD1 4.16Å
210	I	93.6	Very high	85.5	Confident	2 Å²	2	49 Å²	49	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	143.1	171.7	-52.5	-177.7	0	0	0	109.2	F35 A59 Y60 F62 I95 L105 A197 F206 V213	F35-I210 HydrophobicContact CZ-CB 4.15Å; F35-I210 HydrophobicContact CZ-CG2 3.87Å; A59-I210 CarbonylContact C-O 3.5Å; A59-I210 WeakPolarHBondContact CA-O 3.31Å; Y60-I210 PolarHBondContact N-O 2.79Å; Y60-I210 PolarHBondContact O-N 3.41Å; F62-I210 HydrophobicContact CE2-CB 4.47Å; F62-I210 HydrophobicContact CE2-CD1 4.36Å; I95-I210 HydrophobicContact CG2-CG1 4.37Å; I95-I210 HydrophobicContact CG2-CG2 4.24Å; L105-I210 HydrophobicContact CD2-CD1 4.13Å; A197-I210 HydrophobicContact CB-CD1 4.04Å; F206-I210 HydrophobicContact CB-CD1 4.29Å; F206-I210 HydrophobicContact CD1-CD1 3.58Å; F206-I210 HydrophobicContact CD1-CG1 3.57Å; F206-I210 HydrophobicContact CD2-CD1 4.22Å; F206-I210 HydrophobicContact CE1-CD1 3.87Å; F206-I210 HydrophobicContact CE1-CG1 3.34Å; F206-I210 HydrophobicContact CE2-CD1 4.45Å; F206-I210 HydrophobicContact CE2-CG1 4.43Å; F206-I210 HydrophobicContact CG-CD1 3.77Å; F206-I210 HydrophobicContact CG-CG1 4.22Å; F206-I210 HydrophobicContact CZ-CD1 4.3Å; F206-I210 HydrophobicContact CZ-CG1 3.83Å; I210-V213 HydrophobicContact CG2-CG2 3.22Å
211	Q	91.6	Very high	85.9	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	157.1	177.4	-173.5	174.3	31.2	0	0	109	Y54 L57 A59 S94 W153 V213	Y54-Q211 PolarHBondContact O-NE2 2.97Å; L57-Q211 HydrophobicContact CB-CG 4.13Å; L57-Q211 PolarHBondContact O-NE2 3.15Å; A59-Q211 HydrophobicContact CB-CB 4.05Å; A59-Q211 HydrophobicContact CB-CG 4.37Å; S94-Q211 PolarHBondContact N-O 3.03Å; S94-Q211 PolarHBondContact O-N 3.38Å; W153-Q211 HydrophobicContact CH2-CB 4.08Å; W153-Q211 HydrophobicContact CZ3-CB 4.01Å; Q211-V213 PolarHBondContact O-N 3.1Å
212	N	89.8	Confident	86.1	Confident	18 Å²	18	46 Å²	46	10%	0.096	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	52.5	59.2	167.1	-164.3	31.6	0	0	0	114.9	L57 A93 R214	L57-N212 HydrophobicContact CD1-CB 3.94Å; A93-N212 WeakPolarHBondContact CA-O 3.38Å; N212-R214 PolarHBondContact OD1-NE 3.19Å; N212-R214 PolarHBondContact OD1-NH2 3.42Å
213	V	92.8	Very high	86.6	Confident	2 Å²	2	38.8 Å²	38.8	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	112.4	-175.6	-173.5	0	0	0	0	110.3	L34 F35 F91 I92 A93 I106 V196 I210 Q211	L34-V213 HydrophobicContact CB-CG1 4.34Å; L34-V213 HydrophobicContact CD1-CG1 4.05Å; L34-V213 HydrophobicContact CG-CG1 4.48Å; L34-V213 PolarHBondContact N-O 2.99Å; F35-V213 HydrophobicContact CE1-CG2 4.2Å; F35-V213 HydrophobicContact CE2-CB 4.4Å; F35-V213 HydrophobicContact CE2-CG2 3.77Å; F35-V213 HydrophobicContact CZ-CB 4.37Å; F35-V213 HydrophobicContact CZ-CG2 3.56Å; F91-V213 HydrophobicContact CE2-CG1 3.75Å; F91-V213 HydrophobicContact CZ-CG1 4.13Å; I92-V213 WeakPolarHBondContact O-CA 3.35Å; A93-V213 HydrophobicContact CB-CG2 4.44Å; I106-V213 HydrophobicContact CD1-CG1 4.22Å; V196-V213 HydrophobicContact CG1-CG1 4.32Å; V196-V213 HydrophobicContact CG1-CG2 4.49Å; I210-V213 HydrophobicContact CG2-CG2 3.22Å; Q211-V213 PolarHBondContact O-N 3.1Å
214	R	92.6	Very high	87.1	Confident	71 Å²	71	32.1 Å²	32.1	27%	0.268	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	155.8	-176.4	-37.9	-172.7	-164.4	-139.6	-2.2	113.3	F32 D33 F91 I92 N212	F32-R214 VanDerWaalsContact O-CA 3.24Å; F32-R214 WeakPolarHBondContact O-CA 3.42Å; F32-R214 WeakPolarHBondContact O-CB 3.44Å; D33-R214 HydrophobicContact CB-CG 4.34Å; F91-R214 VanDerWaalsContact CD2-O 3.27Å; F91-R214 WeakPolarHBondContact CD2-O 3.48Å; I92-R214 HydrophobicContact CD1-CB 4.12Å; I92-R214 HydrophobicContact CD1-CG 4Å; I92-R214 HydrophobicContact CG1-CB 3.79Å; I92-R214 HydrophobicContact CG1-CG 4.13Å; I92-R214 PolarHBondContact N-O 2.89Å; I92-R214 PolarHBondContact O-N 3.05Å; N212-R214 PolarHBondContact OD1-NE 3.19Å; N212-R214 PolarHBondContact OD1-NH2 3.42Å
215	F	94.1	Very high	87.2	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	147.3	151.3	-67.3	-79.1	0	0	0	109.5	S31 F32 L34 I79 F89 V90 F91 I106 F117 M194 F217	S31-F215 WeakPolarHBondContact CA-O 3.33Å; S31-F215 PolarHBondContact OG-O 3.46Å; F32-F215 PolarHBondContact N-O 3.48Å; F32-F215 PolarHBondContact O-N 2.99Å; L34-F215 HydrophobicContact CD1-CD2 4.02Å; L34-F215 HydrophobicContact CD1-CE2 3.74Å; L34-F215 HydrophobicContact CD2-CD2 4.16Å; L34-F215 HydrophobicContact CD2-CE2 4.46Å; L34-F215 HydrophobicContact CG-CD2 4.41Å; I79-F215 HydrophobicContact CG2-CD2 4.12Å; F89-F215 HydrophobicContact CB-CD1 4.06Å; F89-F215 HydrophobicContact CD1-CE1 4.43Å; F89-F215 AromaticContact CD2-CD1 3.73Å; F89-F215 HydrophobicContact CD2-CD1 3.73Å; F89-F215 AromaticContact CD2-CE1 3.61Å; F89-F215 HydrophobicContact CD2-CE1 3.61Å; F89-F215 HydrophobicContact CE2-CD1 4.33Å; F89-F215 AromaticContact CE2-CE1 3.74Å; F89-F215 HydrophobicContact CE2-CE1 3.74Å; F89-F215 AromaticContact CG-CD1 3.92Å; F89-F215 HydrophobicContact CG-CD1 3.92Å; F89-F215 AromaticContact CG-CE1 3.98Å; F89-F215 HydrophobicContact CG-CE1 3.98Å; F89-F215 HydrophobicContact CZ-CE1 4.19Å; V90-F215 CarbonylContact O-C 3.53Å; V90-F215 WeakPolarHBondContact O-CA 3.37Å; F91-F215 HydrophobicContact CB-CD1 4.1Å; F91-F215 HydrophobicContact CB-CE1 3.96Å; F91-F215 HydrophobicContact CD2-CD1 4.28Å; F91-F215 HydrophobicContact CD2-CE1 4.04Å; F91-F215 HydrophobicContact CD2-CZ 4.28Å; F91-F215 HydrophobicContact CG-CE1 4.29Å; I106-F215 HydrophobicContact CD1-CE2 3.86Å; I106-F215 HydrophobicContact CD1-CZ 3.81Å; F117-F215 HydrophobicContact CZ-CZ 4.34Å; M194-F215 HydrophobicContact CE-CE2 3.82Å; M194-F215 HydrophobicContact CE-CZ 4.21Å; M194-F215 HydrophobicContact SD-CE2 3.73Å; M194-F215 HydrophobicContact SD-CZ 4.47Å; F215-F217 HydrophobicContact CB-CE2 3.72Å; F215-F217 HydrophobicContact CB-CZ 3.89Å
216	I	91.9	Very high	86.8	Confident	18 Å²	18	33.7 Å²	33.7	9%	0.092	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	138.5	175.2	-57.2	173.6	0	0	0	107.5	V90 I92 T219 V224	V90-I216 HydrophobicContact CB-CB 4.2Å; V90-I216 PolarHBondContact N-O 2.84Å; V90-I216 VanDerWaalsContact N-O 3.14Å; V90-I216 PolarHBondContact O-N 2.92Å; I92-I216 HydrophobicContact CD1-CD1 3.82Å; I92-I216 HydrophobicContact CG1-CD1 4.11Å; I92-I216 HydrophobicContact CG2-CD1 4.47Å; I216-T219 HydrophobicContact CG2-CG2 4.44Å; I216-V224 HydrophobicContact CD1-CG1 4.09Å; I216-V224 HydrophobicContact CD1-CG2 3.93Å; I216-V224 HydrophobicContact CG2-CG2 4.13Å
217	F	90.6	Very high	85.8	Confident	6 Å²	6	38 Å²	38	3%	0.026	20%	0.199	C	C	.	.			trans	-128.5	167.1	178.8	-58.1	-76.8	0	0	0	109.1	T30 F32 I79 Q82 I83 F89 F215 T219	T30-F217 PolarHBondContact O-N 2.84Å; F32-F217 AromaticContact CD2-CD2 3.85Å; F32-F217 HydrophobicContact CD2-CD2 3.85Å; F32-F217 AromaticContact CD2-CE2 3.63Å; F32-F217 HydrophobicContact CD2-CE2 3.63Å; F32-F217 AromaticContact CE2-CD2 3.77Å; F32-F217 HydrophobicContact CE2-CD2 3.77Å; F32-F217 AromaticContact CE2-CE2 3.77Å; F32-F217 HydrophobicContact CE2-CE2 3.77Å; I79-F217 HydrophobicContact CG2-CZ 4.34Å; Q82-F217 HydrophobicContact CB-CD1 3.81Å; Q82-F217 HydrophobicContact CB-CD2 3.93Å; Q82-F217 HydrophobicContact CB-CE1 3.93Å; Q82-F217 HydrophobicContact CB-CE2 4.04Å; Q82-F217 HydrophobicContact CB-CG 3.82Å; Q82-F217 HydrophobicContact CB-CZ 4.05Å; I83-F217 HydrophobicContact CB-CE1 4.41Å; I83-F217 HydrophobicContact CD1-CZ 4.4Å; I83-F217 HydrophobicContact CG1-CE1 3.6Å; I83-F217 HydrophobicContact CG1-CZ 3.63Å; F89-F217 HydrophobicContact CB-CE1 3.76Å; F89-F217 HydrophobicContact CB-CZ 4.26Å; F215-F217 HydrophobicContact CB-CE2 3.72Å; F215-F217 HydrophobicContact CB-CZ 3.89Å; F217-T219 PolarHBondContact O-N 2.83Å; F217-T219 PolarHBondContact O-OG1 3.44Å
218	D	80.6	Confident	84.7	Confident	92 Å²	92	33.2 Å²	33.2	49%	0.492	18%	0.181	S	C	.	.	S	Bend	trans	54.4	21.1	171.2	-42.3	-55	0	0	0	115	T30 N86	T30-D218 HydrophobicContact CG2-CB 3.93Å; T30-D218 WeakPolarHBondContact CG2-OD2 3.34Å; N86-D218 PolarHBondContact ND2-OD1 2.81Å; N86-D218 PolarHBondContact OD1-OD1 3.05Å
219	T	79.9	Confident	83.2	Confident	56 Å²	56	40.6 Å²	40.6	34%	0.344	22%	0.22	S	C	.	.	S	Bend	trans	-139.5	128.2	-174.1	-47.8	0	0	0	0	107.9	I216 F217 D223 V224	I216-T219 HydrophobicContact CG2-CG2 4.44Å; F217-T219 PolarHBondContact O-N 2.83Å; F217-T219 PolarHBondContact O-OG1 3.44Å; T219-D223 HydrophobicContact CG2-CB 4.03Å; T219-V224 HydrophobicContact CG2-CG2 3.96Å
220	S	80.5	Confident	82	Confident	52 Å²	52	40 Å²	40	36%	0.364	22%	0.217	S	C	.	.			trans	-69.9	157.2	-177.6	94.8	0	0	0	0	112.1	E222 D223 V224	S220-E222 VanDerWaalsContact C-N 3.27Å; S220-E222 WeakPolarHBondContact CB-OE2 3.4Å; S220-E222 PolarHBondContact O-N 3.28Å; S220-E222 PolarHBondContact OG-N 2.89Å; S220-E222 PolarHBondContact OG-OE2 3.13Å; S220-D223 PolarHBondContact O-N 3.35Å; S220-D223 PolarHBondContact OG-N 3.3Å; S220-V224 WeakPolarHBondContact O-CG2 3.26Å; S220-V224 PolarHBondContact O-N 2.81Å; S220-V224 VanDerWaalsContact O-N 3.07Å
221	V	83.5	Confident	79.8	Confident	11 Å²	11	49.5 Å²	49.5	7%	0.067	26%	0.262	C	S	.	.	H	α-helix	trans	-66.9	-31.7	-178.8	68.5	0	0	0	0	111.7	T157 H159 F168 D223 V224 L225	T157-V221 HydrophobicContact CG2-CG2 4.34Å; H159-V221 HydrophobicContact CB-CB 4.49Å; H159-V221 HydrophobicContact CB-CG2 4Å; F168-V221 HydrophobicContact CD2-CG2 4.3Å; F168-V221 HydrophobicContact CE2-CG2 3.75Å; F168-V221 HydrophobicContact CZ-CG2 4.11Å; V221-D223 VanDerWaalsContact C-N 3.34Å; V221-D223 PolarHBondContact O-N 2.99Å; V221-V224 PolarHBondContact O-N 3.3Å; V221-L225 HydrophobicContact CG2-CD1 4.31Å; V221-L225 WeakPolarHBondContact O-CB 3.4Å; V221-L225 VanDerWaalsContact O-CG 3.26Å; V221-L225 WeakPolarHBondContact O-CG 3.49Å; V221-L225 PolarHBondContact O-N 3.01Å
222	E	80.6	Confident	77.7	Confident	91 Å²	91	52 Å²	52	43%	0.425	28%	0.277	S	S	.	.	H	α-helix	trans	-60	-43.6	172.7	-57.2	70.5	-152.6	0	0	111	S220 L225 L226 V232	S220-E222 VanDerWaalsContact C-N 3.27Å; S220-E222 WeakPolarHBondContact CB-OE2 3.4Å; S220-E222 PolarHBondContact O-N 3.28Å; S220-E222 PolarHBondContact OG-N 2.89Å; S220-E222 PolarHBondContact OG-OE2 3.13Å; E222-L225 PolarHBondContact O-N 3.46Å; E222-L226 WeakPolarHBondContact O-CB 3.3Å; E222-L226 WeakPolarHBondContact O-CG 3.35Å; E222-L226 PolarHBondContact O-N 3.46Å; E222-V232 HydrophobicContact CB-CG1 4.33Å; E222-V232 HydrophobicContact CG-CG1 4.48Å
223	D	79.7	Confident	75.2	Confident	59 Å²	59	57.9 Å²	57.9	32%	0.316	31%	0.314	S	S	.	.	H	α-helix	trans	-72.1	-35.2	-180	-81.9	23.4	0	0	0	112	T219 S220 V221 L225 S227 R234	T219-D223 HydrophobicContact CG2-CB 4.03Å; S220-D223 PolarHBondContact O-N 3.35Å; S220-D223 PolarHBondContact OG-N 3.3Å; V221-D223 VanDerWaalsContact C-N 3.34Å; V221-D223 PolarHBondContact O-N 2.99Å; D223-L225 VanDerWaalsContact C-N 3.32Å; D223-L225 PolarHBondContact O-N 2.94Å; D223-S227 WeakPolarHBondContact O-CB 3.43Å; D223-S227 PolarHBondContact O-N 2.84Å; D223-R234 IonicContact OD1-CZ 2.76Å; D223-R234 IonicContact OD1-NE 3.93Å; D223-R234 IonicContact OD1-NH2 2.68Å; D223-R234 PolarHBondContact OD1-NH2 3.42Å; D223-R234 IonicContact OD2-NH2 3.7Å; D223-R234 PolarHBondContact OD2-NH2 3.03Å
224	V	81.4	Confident	72.3	Confident	3 Å²	3	64.6 Å²	64.6	2%	0.018	34%	0.339	C	S	.	.	H	α-helix	trans	-64.6	-36.2	170.7	175.1	0	0	0	0	111.4	V90 I92 T157 I216 T219 S220 V221 S227	V90-V224 HydrophobicContact CG1-CG1 4.12Å; V90-V224 HydrophobicContact CG1-CG2 4.27Å; I92-V224 HydrophobicContact CG2-CG1 4Å; T157-V224 HydrophobicContact CG2-CG1 4.2Å; I216-V224 HydrophobicContact CD1-CG1 4.09Å; I216-V224 HydrophobicContact CD1-CG2 3.93Å; I216-V224 HydrophobicContact CG2-CG2 4.13Å; T219-V224 HydrophobicContact CG2-CG2 3.96Å; S220-V224 WeakPolarHBondContact O-CG2 3.26Å; S220-V224 PolarHBondContact O-N 2.81Å; S220-V224 VanDerWaalsContact O-N 3.07Å; V221-V224 PolarHBondContact O-N 3.3Å; V224-S227 PolarHBondContact O-OG 2.85Å
225	L	80.7	Confident	69.4	Low	12 Å²	12	68.9 Å²	68.9	6%	0.063	37%	0.366	C	S	.	.	H	α-helix	trans	-74.7	-44	175.3	-68.7	168.3	0	0	0	112.3	F168 V221 E222 D223 S227 R228 C230	F168-L225 HydrophobicContact CB-CD2 4.45Å; F168-L225 HydrophobicContact CD1-CD1 3.79Å; F168-L225 HydrophobicContact CD1-CD2 4.46Å; F168-L225 HydrophobicContact CE1-CD1 3.75Å; F168-L225 HydrophobicContact CG-CD1 4.4Å; F168-L225 HydrophobicContact CZ-CD1 4.31Å; V221-L225 HydrophobicContact CG2-CD1 4.31Å; V221-L225 WeakPolarHBondContact O-CB 3.4Å; V221-L225 VanDerWaalsContact O-CG 3.26Å; V221-L225 WeakPolarHBondContact O-CG 3.49Å; V221-L225 PolarHBondContact O-N 3.01Å; E222-L225 PolarHBondContact O-N 3.46Å; D223-L225 VanDerWaalsContact C-N 3.32Å; D223-L225 PolarHBondContact O-N 2.94Å; L225-S227 PolarHBondContact O-N 2.93Å; L225-R228 WeakPolarHBondContact O-CA 3.35Å; L225-R228 WeakPolarHBondContact O-CB 3.42Å; L225-R228 PolarHBondContact O-N 2.79Å; L225-C230 HydrophobicContact CB-CB 4.24Å; L225-C230 VanDerWaalsContact O-CB 3.29Å; L225-C230 WeakPolarHBondContact O-CB 3.31Å; L225-C230 PolarHBondContact O-N 3.06Å; L225-C230 PolarHBondContact O-SG 3.49Å; L225-C230 VanDerWaalsContact O-SG 3.35Å
226	L	75.8	Confident	66.4	Low	59 Å²	59	75.5 Å²	75.5	31%	0.309	40%	0.402	S	S	.	.	H	α-helix	trans	-54.8	-40	172.4	-80.9	162.3	0	0	0	111.6	E222 R228 D229 V232	E222-L226 WeakPolarHBondContact O-CB 3.3Å; E222-L226 WeakPolarHBondContact O-CG 3.35Å; E222-L226 PolarHBondContact O-N 3.46Å; L226-R228 PolarHBondContact O-N 2.98Å; L226-D229 PolarHBondContact O-N 2.83Å; L226-V232 HydrophobicContact CD1-CB 4.24Å; L226-V232 HydrophobicContact CD2-CB 3.88Å; L226-V232 HydrophobicContact CD2-CG2 4.21Å; L226-V232 HydrophobicContact CG-CB 3.85Å; L226-V232 HydrophobicContact CG-CG2 3.92Å
227	S	68.9	Low	63.5	Low	92 Å²	92	82.6 Å²	82.6	64%	0.643	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-6	176.1	82	0	0	0	0	114.9	D223 V224 L225	D223-S227 WeakPolarHBondContact O-CB 3.43Å; D223-S227 PolarHBondContact O-N 2.84Å; V224-S227 PolarHBondContact O-OG 2.85Å; L225-S227 PolarHBondContact O-N 2.93Å
228	R	66.6	Low	60.7	Low	27 Å²	27	89.1 Å²	89.1	10%	0.102	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	23.1	-178.4	-69.5	177.3	148.7	-166.8	-12.2	113.1	I156 T157 L225 L226 C230	I156-R228 PolarHBondContact O-NH1 3.06Å; T157-R228 PolarHBondContact OG1-NH1 3.41Å; L225-R228 WeakPolarHBondContact O-CA 3.35Å; L225-R228 WeakPolarHBondContact O-CB 3.42Å; L225-R228 PolarHBondContact O-N 2.79Å; L226-R228 PolarHBondContact O-N 2.98Å; R228-C230 VanDerWaalsContact C-N 3.3Å; R228-C230 PolarHBondContact O-N 3.34Å
229	D	59.8	Low	58.4	Low	158 Å²	158	91.6 Å²	91.6	85%	0.845	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	25.5	-178.3	-55.3	-53.4	0	0	0	114.3	L226	L226-D229 PolarHBondContact O-N 2.83Å
230	C	66.4	Low	55.8	Low	11 Å²	11	92.5 Å²	92.5	7%	0.074	51%	0.509	C	S	.	.			trans	-85.7	127.4	171.7	-54.7	0	0	0	0	110.8	C171 L225 R228 V232	C171-C230 VanDerWaalsContact CA-SG 3.52Å; C171-C230 HydrophobicContact CB-CB 3.72Å; C171-C230 WeakPolarHBondContact CB-SG 3.35Å; C171-C230 VanDerWaalsContact SG-CA 3.51Å; C171-C230 WeakPolarHBondContact SG-CB 3.11Å; C171-C230 CovalentContact SG-SG 2.03Å; C171-C230 PolarHBondContact SG-SG 2.84Å; L225-C230 HydrophobicContact CB-CB 4.24Å; L225-C230 VanDerWaalsContact O-CB 3.29Å; L225-C230 WeakPolarHBondContact O-CB 3.31Å; L225-C230 PolarHBondContact O-N 3.06Å; L225-C230 PolarHBondContact O-SG 3.49Å; L225-C230 VanDerWaalsContact O-SG 3.35Å; R228-C230 VanDerWaalsContact C-N 3.3Å; R228-C230 PolarHBondContact O-N 3.34Å; C230-V232 PolarHBondContact O-N 3.21Å
231	E	48.3	Very low	53.3	Low	201 Å²	201	97.7 Å²	97.7	94%	0.939	53%	0.531	S	S	*	.			trans	-73.3	106.1	173.5	-67.9	-171.4	154.9	0	0	110.7
232	V	47.3	Very low	50.4	Low	53 Å²	53	106.7 Å²	106.7	32%	0.321	56%	0.564	S	S	.	*			trans	-112.3	118.3	172.1	-173	0	0	0	0	109.2	E222 L226 C230 R234	E222-V232 HydrophobicContact CB-CG1 4.33Å; E222-V232 HydrophobicContact CG-CG1 4.48Å; L226-V232 HydrophobicContact CD1-CB 4.24Å; L226-V232 HydrophobicContact CD2-CB 3.88Å; L226-V232 HydrophobicContact CD2-CG2 4.21Å; L226-V232 HydrophobicContact CG-CB 3.85Å; L226-V232 HydrophobicContact CG-CG2 3.92Å; C230-V232 PolarHBondContact O-N 3.21Å; V232-R234 PolarHBondContact O-N 3.14Å
233	T	36.8	Very low	47.8	Very low	142 Å²	142	109.4 Å²	109.4	87%	0.871	58%	0.577	S	S	*	*			trans	-74.5	91.5	178.5	21.7	0	0	0	0	111.5
234	R	32.5	Very low	45.3	Very low	142 Å²	142	112 Å²	112	54%	0.536	60%	0.6	S	S	.	*			trans	-64.6	136.5	167.8	-71.6	-172.2	176.6	-171.4	-0.1	111.3	D223 V232	D223-R234 IonicContact OD1-CZ 2.76Å; D223-R234 IonicContact OD1-NE 3.93Å; D223-R234 IonicContact OD1-NH2 2.68Å; D223-R234 PolarHBondContact OD1-NH2 3.42Å; D223-R234 IonicContact OD2-NH2 3.7Å; D223-R234 PolarHBondContact OD2-NH2 3.03Å; V232-R234 PolarHBondContact O-N 3.14Å
235	L	32.6	Very low	42.7	Very low	162 Å²	162	116.1 Å²	116.1	85%	0.848	63%	0.634	S	S	*	*			trans	-106.8	105	160	-71.6	167.7	0	0	0	106.4
236	D	30	Very low	40.1	Very low	139 Å²	139	124 Å²	124	74%	0.743	67%	0.67	S	S	*	*			trans	-87.2	139.8	174	-66.4	-39.2	0	0	0	109.8
237	D	31.2	Very low	37.8	Very low	166 Å²	166	128.3 Å²	128.3	89%	0.888	69%	0.693	S	S	*	*			trans	-91.7	137.4	-171.6	-100	-39.1	0	0	0	115.6
238	D	30.9	Very low	35.7	Very low	144 Å²	144	130 Å²	130	77%	0.77	70%	0.698	S	S	*	*			trans	64.7	173.3	153	-152.3	25.4	0	0	0	121.8
239	N	32.2	Very low	33.7	Very low	144 Å²	144	135.7 Å²	135.7	77%	0.77	73%	0.731	S	S	*	*			trans	-77.1	140.1	-152.6	-86	-93.7	0	0	0	117.1
240	G	26	Very low	32.1	Very low	75 Å²	75	133.7 Å²	133.7	77%	0.773	72%	0.724	S	S	*	*			trans	-124.5	130.3	161.4	0	0	0	0	0	112.2
241	L	27.2	Very low	30.2	Very low	160 Å²	160	138.2 Å²	138.2	84%	0.838	76%	0.756	S	S	*	*			trans	-86	140	-170.8	-82.1	166.7	0	0	0	115.4
242	R	24.6	Very low	30.2	Very low	201 Å²	201	133.9 Å²	133.9	76%	0.758	75%	0.746	S	S	*	*			trans	84.2	129.9	147	-79.5	179.5	175.5	-129	7.4	122.9
243	E	25.6	Very low	29.2	Very low	147 Å²	147	135.8 Å²	135.8	69%	0.687	76%	0.761	S	S	*	*			trans	89.5	136.2	134	-76.6	172.2	-142.7	0	0	122.7
244	S	26	Very low	28.9	Very low	114 Å²	114	135.9 Å²	135.9	80%	0.797	76%	0.755	S	S	*	*			trans	82.8	91.1	157.8	60.4	0	0	0	0	122.9
245	A	26.8	Very low	28.5	Very low	90 Å²	90	136 Å²	136	74%	0.744	77%	0.771	S	S	*	*				84	125.8	109.8	0	0	0	0	0	123.8
246	E	27	Very low	28.5	Very low	176 Å²	176	133.4 Å²	133.4	82%	0.822	76%	0.762	S	S	*	*			trans	68.2	113.3	146.4	-59.8	-169.4	164.3	0	0	119.6
247	I	27.6	Very low	28.5	Very low	151 Å²	151	133.6 Å²	133.6	77%	0.774	76%	0.764	S	S	*	*				97.9	148.4	63.9	-75.7	168.6	0	0	0	113.2
248	V	24.9	Very low	28.3	Very low	126 Å²	126	133.1 Å²	133.1	76%	0.764	76%	0.759	S	S	*	*			trans	83.1	113.5	-178.1	-163.7	0	0	0	0	114.4
249	D	24.8	Very low	28.2	Very low	148 Å²	148	133.6 Å²	133.6	79%	0.791	76%	0.76	S	S	*	*			cis	107.4	159.3	22.1	-170.4	34.2	0	0	0	114.1
250	V	24.8	Very low	28	Very low	115 Å²	115	129.7 Å²	129.7	70%	0.697	75%	0.754	S	S	*	*			trans	90.9	91.8	165.6	-164.5	0	0	0	0	119.2
251	S	26.8	Very low	28.7	Very low	107 Å²	107	131.7 Å²	131.7	75%	0.748	75%	0.753	S	S	*	*			trans	-82.7	-176.9	147.3	-43	0	0	0	0	110.3
252	P	48.1	Very low	28.7	Very low	110 Å²	110	132.9 Å²	132.9	71%	0.714	75%	0.752	S	S	*	*			cis	-143.3	-168.1	-1.4	43.6	-23.4	0	0	0	116.1
253	S	26.3	Very low	29	Very low	92 Å²	92	128 Å²	128	64%	0.643	74%	0.744	S	S	*	*			trans	77.5	110.1	141	-66.3	0	0	0	0	124.6
254	I	30.8	Very low	29.2	Very low	144 Å²	144	128 Å²	128	74%	0.738	75%	0.749	S	S	*	*				55.7	121.9	117.7	-57.7	158.7	0	0	0	120.4
255	T	25.1	Very low	29.5	Very low	144 Å²	144	130 Å²	130	88%	0.883	75%	0.751	S	S	*	*				-165.6	158	121.9	9.1	0	0	0	0	113.2
256	T	32.7	Very low	29.6	Very low	108 Å²	108	133.7 Å²	133.7	66%	0.663	76%	0.757	S	S	*	*			trans	-116.2	170.1	-168.7	52.2	0	0	0	0	113.5
257	N	29.3	Very low	29.8	Very low	144 Å²	144	128.9 Å²	128.9	77%	0.77	76%	0.755	S	S	*	*				161.8	167.2	118.4	-79.2	-29.9	0	0	0	114.8
258	I	26.7	Very low	30	Very low	156 Å²	156	126.4 Å²	126.4	80%	0.8	76%	0.757	S	S	*	*			trans	85.3	125.8	161.9	-55.5	-172.6	0	0	0	116.4
259	I	28.1	Very low	30.4	Very low	154 Å²	154	128.5 Å²	128.5	79%	0.79	76%	0.764	S	S	*	*			cis	-159.5	153.5	-19.4	-115.5	168.1	0	0	0	107.2
260	G	28.2	Very low	30.8	Very low	62 Å²	62	129.5 Å²	129.5	64%	0.639	77%	0.766	S	S	*	*			trans	-80.4	-151.6	174.4	0	0	0	0	0	114.6
261	P	40.6	Very low	31.4	Very low	116 Å²	116	129.2 Å²	129.2	75%	0.753	77%	0.768	S	S	*	*			cis	-145.2	-177.8	14.5	42.4	-22.8	0	0	0	117.3
262	K	27.5	Very low	32	Very low	185 Å²	185	133.7 Å²	133.7	80%	0.804	78%	0.777	S	S	*	*			trans	75.3	144.8	159.6	-63.2	-160.1	169.8	-145.5	0	117.9
263	T	30.9	Very low	31.8	Very low	99 Å²	99	137.5 Å²	137.5	61%	0.607	78%	0.777	S	S	*	*			cis	-171.5	157.7	-15.2	34	0	0	0	0	107.1
264	D	31	Very low	32.9	Very low	147 Å²	147	135.8 Å²	135.8	79%	0.786	77%	0.765	S	S	*	*			cis	-174.8	156.3	-18	-80.8	-15.2	0	0	0	104
265	D	31.7	Very low	33.6	Very low	155 Å²	155	134.2 Å²	134.2	83%	0.829	77%	0.766	S	S	*	*			cis	-168.5	145.8	-31.7	-168.5	10.8	0	0	0	107.9
266	L	29	Very low	34.7	Very low	168 Å²	168	135.2 Å²	135.2	88%	0.88	76%	0.76	S	S	*	*			trans	-168.7	119.8	176.8	-122.2	171.8	0	0	0	116
267	G	30.2	Very low	35.3	Very low	76 Å²	76	134 Å²	134	78%	0.784	75%	0.747	S	S	*	*			trans	77.1	107.9	140.1	0	0	0	0	0	120.2
268	A	32.7	Very low	36.4	Very low	98 Å²	98	131.3 Å²	131.3	81%	0.81	73%	0.732	S	S	*	*			trans	-147.6	139.1	159.9	0	0	0	0	0	110.2
269	D	32.8	Very low	37.3	Very low	170 Å²	170	127.4 Å²	127.4	91%	0.909	72%	0.719	S	S	*	*			trans	-155.8	136.3	160.8	-105.6	-37.2	0	0	0	109.5
270	M	33.5	Very low	38.4	Very low	169 Å²	169	123.5 Å²	123.5	83%	0.833	70%	0.703	S	S	*	*			trans	-166.6	149.6	178.4	-110.9	-166.2	80.6	0	0	112
271	C	36.8	Very low	39.2	Very low	110 Å²	110	124.2 Å²	124.2	74%	0.743	69%	0.69	S	S	*	*			trans	68.1	100.8	170.3	-71.1	0	0	0	0	118.5
272	E	40.6	Very low	39.4	Very low	201 Å²	201	125.5 Å²	125.5	94%	0.939	68%	0.684	S	S	*	*			trans	-117	43.7	165.4	-66.1	-161.4	127.5	0	0	113.4
273	R	43	Very low	40.4	Very low	189 Å²	189	123.5 Å²	123.5	71%	0.713	68%	0.678	S	S	*	*			trans	-139	150.5	165	-78.3	-161.3	171.8	-173.9	-3.6	112.2
274	S	50.7	Low	41.3	Very low	56 Å²	56	124.8 Å²	124.8	39%	0.392	68%	0.677	S	S	.	*			trans	-97	157.4	-172.4	75.6	0	0	0	0	113.1	E276 E277	S274-E276 PolarHBondContact O-N 3.42Å; S274-E277 WeakPolarHBondContact CA-OE2 3.45Å; S274-E277 VanDerWaalsContact CB-OE2 3.27Å; S274-E277 WeakPolarHBondContact CB-OE2 3.35Å; S274-E277 PolarHBondContact N-OE2 2.99Å; S274-E277 PolarHBondContact O-N 3.44Å; S274-E277 PolarHBondContact OG-OE2 3.49Å
275	C	44.5	Very low	42.1	Very low	112 Å²	112	122.9 Å²	122.9	76%	0.757	67%	0.666	S	S	*	*	H	α-helix	trans	-68.8	-17.7	-177.8	-58.9	0	0	0	0	114.1
276	E	48.6	Very low	42.6	Very low	164 Å²	164	122.9 Å²	122.9	77%	0.766	66%	0.658	S	S	*	*	H	α-helix	trans	-77.4	-36.4	178.7	-63.5	-172.9	143.4	0	0	111.3	S274 L278 S279 T280	S274-E276 PolarHBondContact O-N 3.42Å; E276-L278 VanDerWaalsContact C-N 3.31Å; E276-L278 PolarHBondContact O-N 2.79Å; E276-S279 WeakPolarHBondContact O-CB 3.44Å; E276-S279 PolarHBondContact O-N 2.89Å; E276-S279 VanDerWaalsContact O-N 3.14Å; E276-T280 PolarHBondContact O-N 2.65Å
277	E	45.3	Very low	43.6	Very low	82 Å²	82	116.8 Å²	116.8	38%	0.383	64%	0.637	S	S	.	*	H	α-helix	trans	-66.2	-30.5	176.1	-64	162.6	104.1	0	0	113	S274 T280 M281	S274-E277 WeakPolarHBondContact CA-OE2 3.45Å; S274-E277 VanDerWaalsContact CB-OE2 3.27Å; S274-E277 WeakPolarHBondContact CB-OE2 3.35Å; S274-E277 PolarHBondContact N-OE2 2.99Å; S274-E277 PolarHBondContact O-N 3.44Å; S274-E277 PolarHBondContact OG-OE2 3.49Å; E277-T280 PolarHBondContact O-OG1 2.94Å; E277-M281 WeakPolarHBondContact O-CE 3.44Å; E277-M281 PolarHBondContact O-N 2.96Å
278	L	51.8	Low	44.3	Very low	88 Å²	88	118.6 Å²	118.6	46%	0.461	63%	0.628	S	S	.	*	H	α-helix	trans	-69.7	-35	172.5	-80.7	161.7	0	0	0	112.2	E276 M281 F282	E276-L278 VanDerWaalsContact C-N 3.31Å; E276-L278 PolarHBondContact O-N 2.79Å; L278-M281 HydrophobicContact CD2-CE 4.21Å; L278-M281 PolarHBondContact O-N 3.34Å; L278-F282 VanDerWaalsContact O-CD2 3.28Å; L278-F282 WeakPolarHBondContact O-CD2 3.03Å; L278-F282 PolarHBondContact O-N 3.3Å
279	S	45.7	Very low	44.9	Very low	74 Å²	74	123.3 Å²	123.3	52%	0.517	62%	0.624	S	S	.	*	H	α-helix	trans	-66	-39.2	-179.5	-164.8	0	0	0	0	112	E276 F282 Q283	E276-S279 WeakPolarHBondContact O-CB 3.44Å; E276-S279 PolarHBondContact O-N 2.89Å; E276-S279 VanDerWaalsContact O-N 3.14Å; S279-F282 PolarHBondContact O-N 2.88Å; S279-Q283 PolarHBondContact O-N 2.95Å
280	T	50.4	Low	45.7	Very low	73 Å²	73	119.4 Å²	119.4	45%	0.448	61%	0.607	S	S	.	*	H	α-helix	trans	-68.5	-42.2	176.1	43.8	0	0	0	0	112.4	E276 E277 F282 Q283 E284	E276-T280 PolarHBondContact O-N 2.65Å; E277-T280 PolarHBondContact O-OG1 2.94Å; T280-F282 VanDerWaalsContact C-N 3.28Å; T280-F282 PolarHBondContact O-N 2.92Å; T280-Q283 PolarHBondContact O-N 3.29Å; T280-E284 PolarHBondContact O-N 2.75Å
281	M	45.6	Very low	46.7	Very low	77 Å²	77	115.8 Å²	115.8	38%	0.379	59%	0.594	S	S	.	*	H	α-helix	trans	-55.5	-40.8	174.1	-95.1	-178.4	-82	0	0	112.6	E277 L278 Q283 E284 L285	E277-M281 WeakPolarHBondContact O-CE 3.44Å; E277-M281 PolarHBondContact O-N 2.96Å; L278-M281 HydrophobicContact CD2-CE 4.21Å; L278-M281 PolarHBondContact O-N 3.34Å; M281-Q283 VanDerWaalsContact C-N 3.28Å; M281-Q283 PolarHBondContact O-N 2.81Å; M281-E284 PolarHBondContact O-N 3Å; M281-L285 WeakPolarHBondContact O-CB 3.5Å; M281-L285 WeakPolarHBondContact O-CG 3.14Å; M281-L285 PolarHBondContact O-N 3.49Å
282	F	45.3	Very low	47.5	Very low	143 Å²	143	113.9 Å²	113.9	63%	0.627	58%	0.578	S	S	*	*	H	α-helix	trans	-70.1	-19.2	176.9	-82.5	-66	0	0	0	114.4	L278 S279 T280	L278-F282 VanDerWaalsContact O-CD2 3.28Å; L278-F282 WeakPolarHBondContact O-CD2 3.03Å; L278-F282 PolarHBondContact O-N 3.3Å; S279-F282 PolarHBondContact O-N 2.88Å; T280-F282 VanDerWaalsContact C-N 3.28Å; T280-F282 PolarHBondContact O-N 2.92Å
283	Q	48.6	Very low	47.7	Very low	143 Å²	143	107.2 Å²	107.2	67%	0.668	55%	0.554	S	S	*	*	H	α-helix	trans	-81.6	-42	171.3	-68.9	-172.1	-38.3	0	0	111.5	S279 T280 M281 K286 G287	S279-Q283 PolarHBondContact O-N 2.95Å; T280-Q283 PolarHBondContact O-N 3.29Å; M281-Q283 VanDerWaalsContact C-N 3.28Å; M281-Q283 PolarHBondContact O-N 2.81Å; Q283-K286 WeakPolarHBondContact O-CB 3.4Å; Q283-K286 PolarHBondContact O-N 3.44Å; Q283-G287 PolarHBondContact O-N 3.24Å; Q283-G287 VanDerWaalsContact O-N 3.08Å
284	E	49.1	Very low	48	Very low	125 Å²	125	103.2 Å²	103.2	58%	0.584	55%	0.547	S	S	*	.	H	α-helix	trans	-66.1	-41.3	177.8	-67.8	-179	161.6	0	0	111.9	T280 M281 K286 G287 L288	T280-E284 PolarHBondContact O-N 2.75Å; M281-E284 PolarHBondContact O-N 3Å; E284-K286 PolarHBondContact O-N 2.59Å; E284-G287 PolarHBondContact O-N 3.06Å; E284-L288 PolarHBondContact O-N 3.28Å
285	L	47.9	Very low	47.9	Very low	107 Å²	107	106.2 Å²	106.2	56%	0.56	56%	0.558	S	S	*	*	H	α-helix	trans	-59	-32.7	172	-78	166.9	0	0	0	113.2	M281 R289	M281-L285 WeakPolarHBondContact O-CB 3.5Å; M281-L285 WeakPolarHBondContact O-CG 3.14Å; M281-L285 PolarHBondContact O-N 3.49Å; L285-R289 WeakPolarHBondContact O-CB 3.42Å; L285-R289 PolarHBondContact O-N 2.95Å; L285-R289 VanDerWaalsContact O-N 3.16Å
286	K	42.4	Very low	48.5	Very low	155 Å²	155	105 Å²	105	67%	0.674	54%	0.543	S	S	*	.	H	α-helix	trans	-71.7	-39	173	-83	-172.5	173.4	-172.5	0	112.2	Q283 E284 V290	Q283-K286 WeakPolarHBondContact O-CB 3.4Å; Q283-K286 PolarHBondContact O-N 3.44Å; E284-K286 PolarHBondContact O-N 2.59Å; K286-V290 PolarHBondContact O-N 3.28Å
287	G	50.2	Low	48.6	Very low	41 Å²	41	101.6 Å²	101.6	42%	0.423	53%	0.53	S	S	.	.	H	α-helix	trans	-61.1	-49.1	173.7	0	0	0	0	0	111.9	Q283 E284 R289 V290 V291	Q283-G287 PolarHBondContact O-N 3.24Å; Q283-G287 VanDerWaalsContact O-N 3.08Å; E284-G287 PolarHBondContact O-N 3.06Å; G287-R289 VanDerWaalsContact C-N 3.32Å; G287-R289 PolarHBondContact O-N 3.14Å; G287-V290 PolarHBondContact O-N 2.85Å; G287-V291 PolarHBondContact O-N 3.34Å
288	L	45.4	Very low	49.1	Very low	113 Å²	113	99.3 Å²	99.3	59%	0.592	53%	0.529	S	S	*	.	H	α-helix	trans	-60.6	-40.4	179.7	-156.9	75.7	0	0	0	112	E284 V290 V291 V292	E284-L288 PolarHBondContact O-N 3.28Å; L288-V290 VanDerWaalsContact C-N 3.3Å; L288-V290 PolarHBondContact O-N 3.36Å; L288-V291 PolarHBondContact O-N 3.01Å; L288-V292 WeakPolarHBondContact O-CG2 3.46Å; L288-V292 PolarHBondContact O-N 3.01Å
289	R	45.2	Very low	49.2	Very low	197 Å²	197	100.8 Å²	100.8	74%	0.743	54%	0.537	S	S	*	.	H	α-helix	trans	-61.1	-34.5	177.9	-164.9	176.1	-171.7	-177.7	2.8	113.2	L285 G287 S293	L285-R289 WeakPolarHBondContact O-CB 3.42Å; L285-R289 PolarHBondContact O-N 2.95Å; L285-R289 VanDerWaalsContact O-N 3.16Å; G287-R289 VanDerWaalsContact C-N 3.32Å; G287-R289 PolarHBondContact O-N 3.14Å; R289-S293 PolarHBondContact O-N 2.66Å
290	V	49.2	Very low	49.6	Very low	89 Å²	89	102.9 Å²	102.9	54%	0.539	54%	0.538	S	S	.	.	H	α-helix	trans	-70.6	-41.7	175.3	174.8	0	0	0	0	111.1	K286 G287 L288 S293 N294	K286-V290 PolarHBondContact O-N 3.28Å; G287-V290 PolarHBondContact O-N 2.85Å; L288-V290 VanDerWaalsContact C-N 3.3Å; L288-V290 PolarHBondContact O-N 3.36Å; V290-S293 PolarHBondContact O-N 2.68Å; V290-N294 PolarHBondContact O-N 2.64Å; V290-N294 PolarHBondContact O-ND2 3.14Å
291	V	53.6	Low	49.6	Very low	92 Å²	92	105.3 Å²	105.3	56%	0.558	54%	0.542	S	S	*	.	H	α-helix	trans	-63.7	-42.9	175.7	179.2	0	0	0	0	110.9	G287 L288 N294 L295	G287-V291 PolarHBondContact O-N 3.34Å; L288-V291 PolarHBondContact O-N 3.01Å; V291-N294 PolarHBondContact O-N 2.88Å; V291-L295 WeakPolarHBondContact O-CB 3.48Å; V291-L295 PolarHBondContact O-N 2.93Å
292	V	54	Low	50	Low	70 Å²	70	105.4 Å²	105.4	42%	0.424	55%	0.547	S	S	.	.	H	α-helix	trans	-64.3	-43.3	177.3	170.8	0	0	0	0	111.9	L288 L295 I296	L288-V292 WeakPolarHBondContact O-CG2 3.46Å; L288-V292 PolarHBondContact O-N 3.01Å; V292-L295 PolarHBondContact O-N 3.06Å; V292-I296 HydrophobicContact CG1-CD1 3.71Å; V292-I296 HydrophobicContact CG1-CG1 4.38Å; V292-I296 WeakPolarHBondContact O-CB 3.06Å; V292-I296 VanDerWaalsContact O-CG1 3.3Å; V292-I296 WeakPolarHBondContact O-CG1 3.33Å; V292-I296 PolarHBondContact O-N 2.99Å
293	S	45.2	Very low	50.7	Low	62 Å²	62	102.3 Å²	102.3	43%	0.434	54%	0.54	S	S	.	.	H	α-helix	trans	-58.1	-50.7	171.9	-93.3	0	0	0	0	111.9	R289 V290 L295 I296 D297	R289-S293 PolarHBondContact O-N 2.66Å; V290-S293 PolarHBondContact O-N 2.68Å; S293-L295 PolarHBondContact O-N 3.11Å; S293-I296 PolarHBondContact O-N 3.28Å; S293-I296 VanDerWaalsContact O-N 3.14Å; S293-D297 VanDerWaalsContact O-CG 3.28Å; S293-D297 PolarHBondContact O-N 3.19Å
294	N	49	Very low	51.1	Low	105 Å²	105	101.9 Å²	101.9	56%	0.561	54%	0.538	S	S	*	.	H	α-helix	trans	-60.2	-31.6	179.7	-67.3	-20	0	0	0	112.7	V290 V291 G298	V290-N294 PolarHBondContact O-N 2.64Å; V290-N294 PolarHBondContact O-ND2 3.14Å; V291-N294 PolarHBondContact O-N 2.88Å; N294-G298 PolarHBondContact O-N 3.39Å
295	L	48.3	Very low	51.3	Low	119 Å²	119	100.8 Å²	100.8	62%	0.623	53%	0.533	S	S	*	.	H	α-helix	trans	-76.9	-38.7	177.2	-161.4	73.7	0	0	0	112.1	V291 V292 S293 G298 L299	V291-L295 WeakPolarHBondContact O-CB 3.48Å; V291-L295 PolarHBondContact O-N 2.93Å; V292-L295 PolarHBondContact O-N 3.06Å; S293-L295 PolarHBondContact O-N 3.11Å; L295-G298 PolarHBondContact O-N 2.95Å; L295-L299 WeakPolarHBondContact O-CB 3.37Å; L295-L299 PolarHBondContact O-N 3.47Å
296	I	56.8	Low	51.5	Low	86 Å²	86	99.9 Å²	99.9	44%	0.441	53%	0.529	S	S	.	.	H	α-helix	trans	-64.2	-47.6	174	-71.9	168.5	0	0	0	110.5	V292 S293 G298 L299 Q300	V292-I296 HydrophobicContact CG1-CD1 3.71Å; V292-I296 HydrophobicContact CG1-CG1 4.38Å; V292-I296 WeakPolarHBondContact O-CB 3.06Å; V292-I296 VanDerWaalsContact O-CG1 3.3Å; V292-I296 WeakPolarHBondContact O-CG1 3.33Å; V292-I296 PolarHBondContact O-N 2.99Å; S293-I296 PolarHBondContact O-N 3.28Å; S293-I296 VanDerWaalsContact O-N 3.14Å; I296-G298 PolarHBondContact O-N 2.94Å; I296-L299 PolarHBondContact O-N 2.91Å; I296-L299 VanDerWaalsContact O-N 3.09Å; I296-Q300 HydrophobicContact CG2-CG 4.35Å; I296-Q300 WeakPolarHBondContact O-CB 3.22Å; I296-Q300 WeakPolarHBondContact O-CG 3.3Å; I296-Q300 PolarHBondContact O-N 2.87Å
297	D	52.2	Low	52.5	Low	92 Å²	92	96.2 Å²	96.2	49%	0.492	52%	0.519	S	S	.	.	H	α-helix	trans	-57.7	-39.5	175.5	-66.5	-9.4	0	0	0	110.9	S293 K301	S293-D297 VanDerWaalsContact O-CG 3.28Å; S293-D297 PolarHBondContact O-N 3.19Å; D297-K301 VanDerWaalsContact O-CB 3.27Å; D297-K301 WeakPolarHBondContact O-CB 3.18Å; D297-K301 PolarHBondContact O-N 2.86Å; D297-K301 VanDerWaalsContact O-N 3.1Å
298	G	55.5	Low	52.7	Low	34 Å²	34	97.3 Å²	97.3	35%	0.351	52%	0.518	S	S	.	.	H	α-helix	trans	-64.3	-44.8	173.3	0	0	0	0	0	113.5	N294 L295 I296 V302	N294-G298 PolarHBondContact O-N 3.39Å; L295-G298 PolarHBondContact O-N 2.95Å; I296-G298 PolarHBondContact O-N 2.94Å; G298-V302 WeakPolarHBondContact O-CG2 3.5Å; G298-V302 PolarHBondContact O-N 3.11Å
299	L	52.8	Low	52.9	Low	120 Å²	120	95.8 Å²	95.8	63%	0.628	51%	0.509	S	S	*	.	H	α-helix	trans	-71.2	-40.3	-178.4	-136.1	95.6	0	0	0	112.2	L295 I296 V302 T303	L295-L299 WeakPolarHBondContact O-CB 3.37Å; L295-L299 PolarHBondContact O-N 3.47Å; I296-L299 PolarHBondContact O-N 2.91Å; I296-L299 VanDerWaalsContact O-N 3.09Å; L299-V302 PolarHBondContact O-N 2.81Å; L299-T303 WeakPolarHBondContact O-CB 3.47Å; L299-T303 PolarHBondContact O-N 2.77Å; L299-T303 PolarHBondContact O-OG1 3.34Å
300	Q	54.7	Low	53.2	Low	118 Å²	118	94.5 Å²	94.5	55%	0.551	51%	0.508	S	S	*	.	H	α-helix	trans	-59.8	-49.6	173.4	-76.2	-175.7	-27.4	0	0	110.1	I296 V302 T303 E304	I296-Q300 HydrophobicContact CG2-CG 4.35Å; I296-Q300 WeakPolarHBondContact O-CB 3.22Å; I296-Q300 WeakPolarHBondContact O-CG 3.3Å; I296-Q300 PolarHBondContact O-N 2.87Å; Q300-V302 PolarHBondContact O-N 2.85Å; Q300-T303 CarbonylContact O-C 3.53Å; Q300-T303 WeakPolarHBondContact O-CA 3.49Å; Q300-T303 WeakPolarHBondContact O-CB 3.29Å; Q300-T303 PolarHBondContact O-N 2.83Å; Q300-E304 PolarHBondContact O-N 2.96Å
301	K	51.7	Low	53.5	Low	123 Å²	123	96 Å²	96	54%	0.535	51%	0.51	S	S	.	.	H	α-helix	trans	-58.4	-44.7	177.5	-177.3	175.3	175.4	-179.4	0	113.2	D297 T303 E304 E305	D297-K301 VanDerWaalsContact O-CB 3.27Å; D297-K301 WeakPolarHBondContact O-CB 3.18Å; D297-K301 PolarHBondContact O-N 2.86Å; D297-K301 VanDerWaalsContact O-N 3.1Å; K301-T303 VanDerWaalsContact C-N 3.26Å; K301-T303 PolarHBondContact O-N 3.36Å; K301-E304 PolarHBondContact O-N 3.44Å; K301-E305 WeakPolarHBondContact CE-OE1 3.42Å; K301-E305 WeakPolarHBondContact O-CB 3.44Å; K301-E305 WeakPolarHBondContact O-CG 3.16Å; K301-E305 PolarHBondContact O-N 3.49Å
302	V	52.8	Low	53.1	Low	79 Å²	79	92.1 Å²	92.1	48%	0.479	49%	0.487	S	S	.	.	H	α-helix	trans	-65.2	-31.6	175.5	170.2	0	0	0	0	111.5	G298 L299 Q300 N306	G298-V302 WeakPolarHBondContact O-CG2 3.5Å; G298-V302 PolarHBondContact O-N 3.11Å; L299-V302 PolarHBondContact O-N 2.81Å; Q300-V302 PolarHBondContact O-N 2.85Å; V302-N306 WeakPolarHBondContact O-CB 3.42Å; V302-N306 PolarHBondContact O-N 3.34Å; V302-N306 VanDerWaalsContact O-N 3.11Å; V302-N306 PolarHBondContact O-ND2 2.95Å
303	T	60.9	Low	52.9	Low	79 Å²	79	94.2 Å²	94.2	49%	0.485	50%	0.495	S	S	.	.	H	α-helix	trans	-70.9	-42.9	175.9	-55.3	0	0	0	0	111.4	L299 Q300 K301 N306 T307	L299-T303 WeakPolarHBondContact O-CB 3.47Å; L299-T303 PolarHBondContact O-N 2.77Å; L299-T303 PolarHBondContact O-OG1 3.34Å; Q300-T303 CarbonylContact O-C 3.53Å; Q300-T303 WeakPolarHBondContact O-CA 3.49Å; Q300-T303 WeakPolarHBondContact O-CB 3.29Å; Q300-T303 PolarHBondContact O-N 2.83Å; K301-T303 VanDerWaalsContact C-N 3.26Å; K301-T303 PolarHBondContact O-N 3.36Å; T303-N306 PolarHBondContact O-N 2.85Å; T303-T307 PolarHBondContact O-N 2.98Å; T303-T307 PolarHBondContact O-OG1 3.02Å
304	E	56.6	Low	53.1	Low	133 Å²	133	93.8 Å²	93.8	62%	0.621	50%	0.5	S	S	*	.	H	α-helix	trans	-63.3	-43.8	173.3	-68.8	-171.6	150	0	0	112.6	Q300 K301 N306 T307 V308	Q300-E304 PolarHBondContact O-N 2.96Å; K301-E304 PolarHBondContact O-N 3.44Å; E304-N306 PolarHBondContact O-N 3.15Å; E304-T307 PolarHBondContact O-N 3.43Å; E304-T307 PolarHBondContact O-OG1 3.5Å; E304-V308 WeakPolarHBondContact O-CB 3.38Å; E304-V308 WeakPolarHBondContact O-CG2 3.4Å; E304-V308 PolarHBondContact O-N 3.18Å
305	E	52.6	Low	53	Low	103 Å²	103	97 Å²	97	48%	0.481	51%	0.505	S	S	.	.	H	α-helix	trans	-62.1	-34.5	176.2	-73.4	176.9	-171.5	0	0	111.6	K301 M309	K301-E305 WeakPolarHBondContact CE-OE1 3.42Å; K301-E305 WeakPolarHBondContact O-CB 3.44Å; K301-E305 WeakPolarHBondContact O-CG 3.16Å; K301-E305 PolarHBondContact O-N 3.49Å; E305-M309 PolarHBondContact O-N 2.04Å; E305-M309 VanDerWaalsContact O-N 3.09Å
306	N	51.4	Low	52.7	Low	88 Å²	88	96.4 Å²	96.4	47%	0.471	50%	0.5	S	S	.	.	H	α-helix	trans	-72.5	-39.7	174.5	-83.6	-56.5	0	0	0	113.9	V302 T303 E304 M309 K310	V302-N306 WeakPolarHBondContact O-CB 3.42Å; V302-N306 PolarHBondContact O-N 3.34Å; V302-N306 VanDerWaalsContact O-N 3.11Å; V302-N306 PolarHBondContact O-ND2 2.95Å; T303-N306 PolarHBondContact O-N 2.85Å; E304-N306 PolarHBondContact O-N 3.15Å; N306-M309 PolarHBondContact O-N 3.23Å; N306-K310 WeakPolarHBondContact O-CB 3.34Å; N306-K310 PolarHBondContact O-N 3.48Å
307	T	63.5	Low	52.3	Low	77 Å²	77	101.4 Å²	101.4	47%	0.472	52%	0.518	S	S	.	.	H	α-helix	trans	-68	-38.7	176.2	55.9	0	0	0	0	111.6	T303 E304 K310 E311	T303-T307 PolarHBondContact O-N 2.98Å; T303-T307 PolarHBondContact O-OG1 3.02Å; E304-T307 PolarHBondContact O-N 3.43Å; E304-T307 PolarHBondContact O-OG1 3.5Å; T307-K310 WeakPolarHBondContact O-CB 3.32Å; T307-K310 PolarHBondContact O-N 3.08Å; T307-K310 VanDerWaalsContact O-N 3.15Å; T307-E311 PolarHBondContact O-N 3.06Å
308	V	55.5	Low	52.1	Low	64 Å²	64	104 Å²	104	39%	0.388	53%	0.532	S	S	.	.	H	α-helix	trans	-61.7	-42.4	172.7	172	0	0	0	0	111.7	E304 K310 E311 A312 G329	E304-V308 WeakPolarHBondContact O-CB 3.38Å; E304-V308 WeakPolarHBondContact O-CG2 3.4Å; E304-V308 PolarHBondContact O-N 3.18Å; V308-K310 VanDerWaalsContact C-N 3.33Å; V308-K310 PolarHBondContact O-N 2.96Å; V308-E311 PolarHBondContact O-N 2.81Å; V308-A312 WeakPolarHBondContact O-CB 3.37Å; V308-A312 PolarHBondContact O-N 3.22Å; V308-G329 WeakPolarHBondContact CG1-O 3.28Å
309	M	48.8	Very low	51.4	Low	82 Å²	82	107.5 Å²	107.5	40%	0.404	55%	0.547	S	S	.	.	H	α-helix	trans	-60.8	-40	172.1	-88.7	-168.8	-74.6	0	0	112.7	E305 N306 A312 L313	E305-M309 PolarHBondContact O-N 2.04Å; E305-M309 VanDerWaalsContact O-N 3.09Å; N306-M309 PolarHBondContact O-N 3.23Å; M309-A312 PolarHBondContact O-N 3.07Å; M309-L313 WeakPolarHBondContact O-CB 3.37Å; M309-L313 WeakPolarHBondContact O-CG 3.42Å; M309-L313 PolarHBondContact O-N 3.16Å
310	K	53.1	Low	51.3	Low	170 Å²	170	111.3 Å²	111.3	74%	0.739	56%	0.559	S	S	*	*	H	α-helix	trans	-64.2	-41.7	179.7	-158	172.3	-175.3	176.7	0	111.8	N306 T307 V308 G314	N306-K310 WeakPolarHBondContact O-CB 3.34Å; N306-K310 PolarHBondContact O-N 3.48Å; T307-K310 WeakPolarHBondContact O-CB 3.32Å; T307-K310 PolarHBondContact O-N 3.08Å; T307-K310 VanDerWaalsContact O-N 3.15Å; V308-K310 VanDerWaalsContact C-N 3.33Å; V308-K310 PolarHBondContact O-N 2.96Å; K310-G314 PolarHBondContact O-N 2.7Å
311	E	54.3	Low	51.2	Low	121 Å²	121	115.1 Å²	115.1	57%	0.565	58%	0.576	S	S	*	*	H	α-helix	trans	-63.2	-46.6	170.6	-80.1	-146	169.3	0	0	112.7	T307 V308 L313 G314 R315	T307-E311 PolarHBondContact O-N 3.06Å; V308-E311 PolarHBondContact O-N 2.81Å; E311-L313 VanDerWaalsContact C-N 3.33Å; E311-L313 PolarHBondContact O-N 2.83Å; E311-G314 WeakPolarHBondContact O-CA 3.31Å; E311-G314 PolarHBondContact O-N 2.91Å; E311-R315 PolarHBondContact O-N 2.85Å; E311-R315 VanDerWaalsContact O-N 3.16Å; E311-R315 IonicContact OE2-CZ 3.12Å; E311-R315 IonicContact OE2-NH2 2.71Å; E311-R315 PolarHBondContact OE2-NH2 3.24Å
312	A	45.3	Very low	51.2	Low	10 Å²	10	114.8 Å²	114.8	8%	0.083	58%	0.575	C	S	.	*	H	α-helix	trans	-64.7	-37.9	-175.2	0	0	0	0	0	112	V308 M309 G314 R315 W326	V308-A312 WeakPolarHBondContact O-CB 3.37Å; V308-A312 PolarHBondContact O-N 3.22Å; M309-A312 PolarHBondContact O-N 3.07Å; A312-G314 VanDerWaalsContact C-N 3.34Å; A312-R315 PolarHBondContact O-N 2.81Å; A312-W326 HydrophobicContact CB-CH2 3.53Å; A312-W326 HydrophobicContact CB-CZ3 3.8Å
313	L	49.8	Very low	51.9	Low	113 Å²	113	114.9 Å²	114.9	59%	0.592	57%	0.573	S	S	*	*	H	α-helix	trans	-63.3	-37.3	169.9	-75.2	166.5	0	0	0	112.3	M309 E311 R315 M316	M309-L313 WeakPolarHBondContact O-CB 3.37Å; M309-L313 WeakPolarHBondContact O-CG 3.42Å; M309-L313 PolarHBondContact O-N 3.16Å; E311-L313 VanDerWaalsContact C-N 3.33Å; E311-L313 PolarHBondContact O-N 2.83Å; L313-R315 VanDerWaalsContact C-N 3.29Å; L313-R315 PolarHBondContact O-N 3.17Å; L313-M316 HydrophobicContact CD2-SD 4.43Å; L313-M316 PolarHBondContact O-N 2.88Å
314	G	50.3	Low	52.1	Low	53 Å²	53	114 Å²	114	55%	0.546	56%	0.564	S	S	.	*	H	α-helix	trans	-58.3	-39.2	174.3	0	0	0	0	0	113.2	K310 E311 A312 M316	K310-G314 PolarHBondContact O-N 2.7Å; E311-G314 WeakPolarHBondContact O-CA 3.31Å; E311-G314 PolarHBondContact O-N 2.91Å; A312-G314 VanDerWaalsContact C-N 3.34Å; G314-M316 VanDerWaalsContact C-N 3.28Å; G314-M316 PolarHBondContact O-N 2.81Å
315	R	45.5	Very low	52.8	Low	174 Å²	174	107.9 Å²	107.9	66%	0.657	54%	0.536	S	S	*	.	H	α-helix	trans	-71.7	-16	-179.5	-61.2	177.9	-161.9	-163.4	6	113.9	E311 A312 L313 K317	E311-R315 PolarHBondContact O-N 2.85Å; E311-R315 VanDerWaalsContact O-N 3.16Å; E311-R315 IonicContact OE2-CZ 3.12Å; E311-R315 IonicContact OE2-NH2 2.71Å; E311-R315 PolarHBondContact OE2-NH2 3.24Å; A312-R315 PolarHBondContact O-N 2.81Å; L313-R315 VanDerWaalsContact C-N 3.29Å; L313-R315 PolarHBondContact O-N 3.17Å; R315-K317 VanDerWaalsContact C-N 3.31Å; R315-K317 PolarHBondContact O-N 2.79Å
316	M	43.6	Very low	53.4	Low	106 Å²	106	108.1 Å²	108.1	52%	0.522	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-9.1	-179.6	-61.7	-169.1	-170.7	0	0	114.6	L313 G314 D318 W326	L313-M316 HydrophobicContact CD2-SD 4.43Å; L313-M316 PolarHBondContact O-N 2.88Å; G314-M316 VanDerWaalsContact C-N 3.28Å; G314-M316 PolarHBondContact O-N 2.81Å; M316-D318 PolarHBondContact O-N 2.85Å; M316-W326 HydrophobicContact CE-CE3 4.08Å; M316-W326 HydrophobicContact CE-CH2 4.3Å; M316-W326 HydrophobicContact CE-CZ3 3.53Å
317	K	46.7	Very low	53.9	Low	190 Å²	190	105.4 Å²	105.4	83%	0.826	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-21.7	-174.4	-110.8	174.3	-179.5	171.5	0	115	R315	R315-K317 VanDerWaalsContact C-N 3.31Å; R315-K317 PolarHBondContact O-N 2.79Å
318	D	49.7	Very low	53.2	Low	147 Å²	147	107.4 Å²	107.4	79%	0.786	53%	0.525	S	S	*	.	S	Bend	trans	-135.4	72.5	-175.3	-96.6	-50.2	0	0	0	113.4	M316	M316-D318 PolarHBondContact O-N 2.85Å
319	T	39.6	Very low	53.1	Low	108 Å²	108	105.7 Å²	105.7	66%	0.663	52%	0.521	S	S	*	.			trans	-170.2	134.1	137.4	11.1	0	0	0	0	112.2
320	K	50.4	Low	53.5	Low	199 Å²	199	110 Å²	110	87%	0.865	53%	0.532	S	S	*	.	S	Bend	trans	-93.9	147.2	158.2	-74.3	-179.9	176.9	175.5	0	108.9
321	E	53.2	Low	54.1	Low	198 Å²	198	104.8 Å²	104.8	93%	0.925	51%	0.512	S	S	*	.	S	Bend	trans	67.4	61.3	176.6	-55.7	-170.9	167.9	0	0	116.2
322	K	52.3	Low	55	Low	117 Å²	117	100.2 Å²	100.2	51%	0.509	49%	0.49	S	S	.	.			trans	-128.6	142.8	149.1	-86.4	-174.5	159.8	-161.1	0	110.3	M324 D333	K322-M324 HydrophobicContact CB-CG 4.02Å; K322-M324 HydrophobicContact CB-SD 4.35Å; K322-D333 WeakPolarHBondContact CD-OD1 3.42Å; K322-D333 WeakPolarHBondContact CE-OD1 3.43Å; K322-D333 IonicContact NZ-OD1 2.74Å; K322-D333 PolarHBondContact NZ-OD1 2.83Å; K322-D333 IonicContact NZ-OD2 3.7Å; K322-D333 PolarHBondContact NZ-OD2 2.55Å
323	N	66.2	Low	56.2	Low	80 Å²	80	102.5 Å²	102.5	43%	0.428	50%	0.501	S	S	.	.			trans	-81.5	134.7	161.7	-70.3	-13.1	0	0	0	107.5	D334 S351	N323-D334 HydrophobicContact CB-CB 3.82Å; N323-D334 VanDerWaalsContact O-CB 3.3Å; N323-D334 WeakPolarHBondContact O-CB 3.27Å; N323-D334 PolarHBondContact O-N 3.1Å; N323-S351 WeakPolarHBondContact CA-OG 3.38Å; N323-S351 WeakPolarHBondContact CB-OG 3.34Å
324	M	66.7	Low	57.2	Low	60 Å²	60	99.1 Å²	99.1	30%	0.296	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	158.6	-177.9	-57.6	-171.8	85.2	0	0	109.6	K322 L331 F332 S351	K322-M324 HydrophobicContact CB-CG 4.02Å; K322-M324 HydrophobicContact CB-SD 4.35Å; M324-L331 HydrophobicContact CB-CD1 3.96Å; M324-L331 HydrophobicContact CE-CD1 4.3Å; M324-L331 HydrophobicContact CE-CD2 3.74Å; M324-L331 HydrophobicContact CE-CG 3.76Å; M324-L331 HydrophobicContact SD-CD1 4.37Å; M324-L331 HydrophobicContact SD-CD2 4.12Å; M324-L331 HydrophobicContact SD-CG 4.36Å; M324-F332 CarbonylContact C-O 3.34Å; M324-F332 VanDerWaalsContact CA-O 3.28Å; M324-F332 WeakPolarHBondContact CA-O 3.43Å; M324-F332 WeakPolarHBondContact CB-O 3.17Å; M324-S351 PolarHBondContact N-OG 2.89Å
325	C	70.4	Confident	58	Low	6 Å²	6	102.9 Å²	102.9	4%	0.041	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	150.3	-179.4	-61.5	0	0	0	0	111.1	F332 W338 C348 K352 I353	C325-F332 PolarHBondContact N-O 2.8Å; C325-F332 PolarHBondContact O-N 3.13Å; C325-W338 HydrophobicContact CB-CH2 4.12Å; C325-C348 HydrophobicContact CB-CB 3.61Å; C325-C348 WeakPolarHBondContact CB-SG 3.19Å; C325-C348 PolarHBondContact N-SG 3.41Å; C325-C348 VanDerWaalsContact N-SG 3.37Å; C325-C348 WeakPolarHBondContact SG-CA 3.21Å; C325-C348 WeakPolarHBondContact SG-CB 3.4Å; C325-C348 CovalentContact SG-SG 2.04Å; C325-C348 PolarHBondContact SG-SG 3.04Å; C325-K352 VanDerWaalsContact SG-C 3.58Å; C325-K352 PolarHBondContact SG-O 2.81Å; C325-K352 VanDerWaalsContact SG-O 3.4Å; C325-I353 HydrophobicContact CB-CD1 4.44Å; C325-I353 HydrophobicContact CB-CG1 3.77Å
326	W	65.2	Low	59.2	Low	107 Å²	107	98.8 Å²	98.8	41%	0.405	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	120.1	-178.4	-175.1	-79.9	0	0	0	110.6	A312 M316 L331 I353	A312-W326 HydrophobicContact CB-CH2 3.53Å; A312-W326 HydrophobicContact CB-CZ3 3.8Å; M316-W326 HydrophobicContact CE-CE3 4.08Å; M316-W326 HydrophobicContact CE-CH2 4.3Å; M316-W326 HydrophobicContact CE-CZ3 3.53Å; W326-L331 HydrophobicContact CE3-CB 4Å; W326-L331 HydrophobicContact CE3-CD1 3.94Å; W326-L331 HydrophobicContact CZ3-CB 4.14Å; W326-I353 VanDerWaalsContact O-CD1 3.29Å; W326-I353 WeakPolarHBondContact O-CD1 3.42Å
327	Q	60.8	Low	60.7	Low	32 Å²	32	97.8 Å²	97.8	15%	0.15	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	138.2	177	-149.6	-167.9	-43.9	0	0	109.9	G329 R330 F332 W338 I353	Q327-G329 VanDerWaalsContact C-N 3.34Å; Q327-G329 PolarHBondContact O-N 3.17Å; Q327-R330 PolarHBondContact N-O 2.86Å; Q327-R330 PolarHBondContact O-N 3.16Å; Q327-R330 VanDerWaalsContact O-O 3.1Å; Q327-F332 HydrophobicContact CB-CE2 4.17Å; Q327-W338 HydrophobicContact CB-CZ2 4.21Å; Q327-I353 HydrophobicContact CB-CD1 3.74Å; Q327-I353 HydrophobicContact CG-CD1 3.89Å
328	D	49.6	Very low	62	Low	118 Å²	118	89.9 Å²	89.9	63%	0.631	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.3	53.1	166.9	-47.2	-30.7	0	0	0	113.2	R330	D328-R330 PolarHBondContact O-N 2.76Å
329	G	52.8	Low	62.7	Low	29 Å²	29	87.3 Å²	87.3	30%	0.299	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	-6.1	179.2	0	0	0	0	0	116.1	V308 Q327	V308-G329 WeakPolarHBondContact CG1-O 3.28Å; Q327-G329 VanDerWaalsContact C-N 3.34Å; Q327-G329 PolarHBondContact O-N 3.17Å
330	R	58.2	Low	64	Low	173 Å²	173	84.9 Å²	84.9	65%	0.653	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.5	148.3	-175.8	-70.4	-176.8	173.8	175.4	0.1	113.8	Q327 D328 F332	Q327-R330 PolarHBondContact N-O 2.86Å; Q327-R330 PolarHBondContact O-N 3.16Å; Q327-R330 VanDerWaalsContact O-O 3.1Å; D328-R330 PolarHBondContact O-N 2.76Å; R330-F332 HydrophobicContact CB-CE1 4.43Å; R330-F332 HydrophobicContact CB-CE2 3.78Å; R330-F332 HydrophobicContact CB-CZ 3.69Å; R330-F332 WeakPolarHBondContact O-CE2 3.48Å
331	L	65.8	Low	64.4	Low	59 Å²	59	79.2 Å²	79.2	31%	0.309	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	125.7	179.6	178.5	73.2	0	0	0	109.4	M324 W326	M324-L331 HydrophobicContact CB-CD1 3.96Å; M324-L331 HydrophobicContact CE-CD1 4.3Å; M324-L331 HydrophobicContact CE-CD2 3.74Å; M324-L331 HydrophobicContact CE-CG 3.76Å; M324-L331 HydrophobicContact SD-CD1 4.37Å; M324-L331 HydrophobicContact SD-CD2 4.12Å; M324-L331 HydrophobicContact SD-CG 4.36Å; W326-L331 HydrophobicContact CE3-CB 4Å; W326-L331 HydrophobicContact CE3-CD1 3.94Å; W326-L331 HydrophobicContact CZ3-CB 4.14Å
332	F	73.3	Confident	64.6	Low	25 Å²	25	73 Å²	73	11%	0.11	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	141.4	-173.8	-58.7	-82.9	0	0	0	112	M324 C325 Q327 R330 E336 W338	M324-F332 CarbonylContact C-O 3.34Å; M324-F332 VanDerWaalsContact CA-O 3.28Å; M324-F332 WeakPolarHBondContact CA-O 3.43Å; M324-F332 WeakPolarHBondContact CB-O 3.17Å; C325-F332 PolarHBondContact N-O 2.8Å; C325-F332 PolarHBondContact O-N 3.13Å; Q327-F332 HydrophobicContact CB-CE2 4.17Å; R330-F332 HydrophobicContact CB-CE1 4.43Å; R330-F332 HydrophobicContact CB-CE2 3.78Å; R330-F332 HydrophobicContact CB-CZ 3.69Å; R330-F332 WeakPolarHBondContact O-CE2 3.48Å; F332-E336 VanDerWaalsContact CA-OE2 3.31Å; F332-E336 WeakPolarHBondContact CA-OE2 3.32Å; F332-E336 HydrophobicContact CB-CB 4.44Å; F332-E336 HydrophobicContact CD1-CG 4.39Å; F332-W338 HydrophobicContact CB-CE3 3.85Å; F332-W338 HydrophobicContact CB-CH2 3.96Å; F332-W338 HydrophobicContact CB-CZ3 3.47Å; F332-W338 VanDerWaalsContact CB-CZ3 3.47Å; F332-W338 HydrophobicContact CD1-CB 4.2Å; F332-W338 AromaticContact CD1-CD2 3.69Å; F332-W338 HydrophobicContact CD1-CD2 3.69Å; F332-W338 AromaticContact CD1-CE3 3.48Å; F332-W338 HydrophobicContact CD1-CE3 3.48Å; F332-W338 VanDerWaalsContact CD1-CE3 3.48Å; F332-W338 HydrophobicContact CD1-CG 4.03Å; F332-W338 HydrophobicContact CD1-CZ3 4.03Å; F332-W338 AromaticContact CD2-CD2 3.91Å; F332-W338 HydrophobicContact CD2-CD2 3.91Å; F332-W338 AromaticContact CD2-CE2 3.77Å; F332-W338 AromaticContact CD2-CE3 3.99Å; F332-W338 HydrophobicContact CD2-CE3 3.99Å; F332-W338 AromaticContact CD2-CH2 3.86Å; F332-W338 HydrophobicContact CD2-CH2 3.86Å; F332-W338 AromaticContact CD2-CZ2 3.77Å; F332-W338 HydrophobicContact CD2-CZ2 3.77Å; F332-W338 AromaticContact CD2-CZ3 3.96Å; F332-W338 HydrophobicContact CD2-CZ3 3.96Å; F332-W338 HydrophobicContact CE1-CB 3.61Å; F332-W338 AromaticContact CE1-CD2 3.66Å; F332-W338 HydrophobicContact CE1-CD2 3.66Å; F332-W338 AromaticContact CE1-CE3 3.95Å; F332-W338 HydrophobicContact CE1-CE3 3.95Å; F332-W338 AromaticContact CE1-CG 3.52Å; F332-W338 HydrophobicContact CE1-CG 3.52Å; F332-W338 AromaticContact CE2-CD2 3.88Å; F332-W338 HydrophobicContact CE2-CD2 3.88Å; F332-W338 AromaticContact CE2-CE2 3.67Å; F332-W338 HydrophobicContact CE2-CE3 4.42Å; F332-W338 HydrophobicContact CE2-CG 4.16Å; F332-W338 HydrophobicContact CE2-CZ2 4.05Å; F332-W338 AromaticContact CE2-NE1 3.81Å; F332-W338 AromaticContact CG-CD2 3.81Å; F332-W338 HydrophobicContact CG-CD2 3.81Å; F332-W338 AromaticContact CG-CE3 3.49Å; F332-W338 HydrophobicContact CG-CE3 3.49Å; F332-W338 VanDerWaalsContact CG-CE3 3.49Å; F332-W338 AromaticContact CG-CH2 3.94Å; F332-W338 HydrophobicContact CG-CH2 3.94Å; F332-W338 HydrophobicContact CG-CZ2 4.22Å; F332-W338 AromaticContact CG-CZ3 3.55Å; F332-W338 HydrophobicContact CG-CZ3 3.55Å; F332-W338 HydrophobicContact CZ-CB 4.08Å; F332-W338 AromaticContact CZ-CD1 3.67Å; F332-W338 AromaticContact CZ-CD2 3.75Å; F332-W338 HydrophobicContact CZ-CD2 3.75Å; F332-W338 AromaticContact CZ-CE2 3.94Å; F332-W338 HydrophobicContact CZ-CE3 4.39Å; F332-W338 AromaticContact CZ-CG 3.59Å; F332-W338 HydrophobicContact CZ-CG 3.59Å; F332-W338 AromaticContact CZ-NE1 3.88Å
333	D	70.9	Confident	64.9	Low	59 Å²	59	69.4 Å²	69.4	32%	0.316	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	154.9	179.3	-114.7	-30.8	0	0	0	112.1	K322 K335 E336 C348	K322-D333 WeakPolarHBondContact CD-OD1 3.42Å; K322-D333 WeakPolarHBondContact CE-OD1 3.43Å; K322-D333 IonicContact NZ-OD1 2.74Å; K322-D333 PolarHBondContact NZ-OD1 2.83Å; K322-D333 IonicContact NZ-OD2 3.7Å; K322-D333 PolarHBondContact NZ-OD2 2.55Å; D333-K335 PolarHBondContact O-N 3.17Å; D333-E336 HydrophobicContact CB-CB 4.4Å; D333-E336 PolarHBondContact N-OE2 3.33Å; D333-E336 WeakPolarHBondContact O-CB 3.17Å; D333-E336 PolarHBondContact O-N 3.03Å; D333-C348 WeakPolarHBondContact O-CB 3.1Å
334	D	69.9	Low	65.2	Low	41 Å²	41	66.3 Å²	66.3	22%	0.219	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	126.7	177.7	-178.7	57.6	0	0	0	112.5	N323 E336 E350	N323-D334 HydrophobicContact CB-CB 3.82Å; N323-D334 VanDerWaalsContact O-CB 3.3Å; N323-D334 WeakPolarHBondContact O-CB 3.27Å; N323-D334 PolarHBondContact O-N 3.1Å; D334-E336 VanDerWaalsContact C-N 3.3Å; D334-E350 PolarHBondContact OD1-N 2.88Å
335	K	67.7	Low	65.5	Low	133 Å²	133	68 Å²	68	58%	0.578	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	11.2	-171.7	-46.9	170.5	-169.2	74	0	115.2	D333 K347 C348	D333-K335 PolarHBondContact O-N 3.17Å; K335-K347 PolarHBondContact O-NZ 2.88Å; K335-C348 WeakPolarHBondContact CA-O 3.37Å; K335-C348 PolarHBondContact N-O 2.85Å
336	E	70.4	Confident	66	Low	88 Å²	88	67.7 Å²	67.7	41%	0.411	34%	0.344	S	S	.	.			trans	-66.6	149	165.2	-169.1	157.8	-142.2	0	0	111.4	F332 D333 D334 K347 C348	F332-E336 VanDerWaalsContact CA-OE2 3.31Å; F332-E336 WeakPolarHBondContact CA-OE2 3.32Å; F332-E336 HydrophobicContact CB-CB 4.44Å; F332-E336 HydrophobicContact CD1-CG 4.39Å; D333-E336 HydrophobicContact CB-CB 4.4Å; D333-E336 PolarHBondContact N-OE2 3.33Å; D333-E336 WeakPolarHBondContact O-CB 3.17Å; D333-E336 PolarHBondContact O-N 3.03Å; D334-E336 VanDerWaalsContact C-N 3.3Å; E336-K347 WeakPolarHBondContact O-CA 3.4Å; E336-C348 PolarHBondContact O-N 2.83Å
337	D	74.3	Confident	66.6	Low	84 Å²	84	64.9 Å²	64.9	45%	0.449	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	117	-177.1	-78.1	-43.1	0	0	0	109.8	C346 K347	D337-C346 CarbonylContact C-O 3.55Å; D337-C346 WeakPolarHBondContact CA-O 3.39Å; D337-K347 WeakPolarHBondContact OD1-CB 3.26Å; D337-K347 VanDerWaalsContact OD1-CD 3.26Å; D337-K347 WeakPolarHBondContact OD1-CD 3.15Å; D337-K347 VanDerWaalsContact OD1-CG 3.27Å; D337-K347 WeakPolarHBondContact OD1-CG 3.45Å; D337-K347 IonicContact OD1-NZ 2.78Å; D337-K347 PolarHBondContact OD1-NZ 3.03Å; D337-K347 IonicContact OD2-NZ 3.36Å; D337-K347 PolarHBondContact OD2-NZ 2.81Å
338	W	75.6	Confident	67.4	Low	25 Å²	25	63.4 Å²	63.4	10%	0.095	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	165.6	177.1	64.7	100.7	0	0	0	112.3	C325 Q327 F332 K345 C346 C348 I353	C325-W338 HydrophobicContact CB-CH2 4.12Å; Q327-W338 HydrophobicContact CB-CZ2 4.21Å; F332-W338 HydrophobicContact CB-CE3 3.85Å; F332-W338 HydrophobicContact CB-CH2 3.96Å; F332-W338 HydrophobicContact CB-CZ3 3.47Å; F332-W338 VanDerWaalsContact CB-CZ3 3.47Å; F332-W338 HydrophobicContact CD1-CB 4.2Å; F332-W338 AromaticContact CD1-CD2 3.69Å; F332-W338 HydrophobicContact CD1-CD2 3.69Å; F332-W338 AromaticContact CD1-CE3 3.48Å; F332-W338 HydrophobicContact CD1-CE3 3.48Å; F332-W338 VanDerWaalsContact CD1-CE3 3.48Å; F332-W338 HydrophobicContact CD1-CG 4.03Å; F332-W338 HydrophobicContact CD1-CZ3 4.03Å; F332-W338 AromaticContact CD2-CD2 3.91Å; F332-W338 HydrophobicContact CD2-CD2 3.91Å; F332-W338 AromaticContact CD2-CE2 3.77Å; F332-W338 AromaticContact CD2-CE3 3.99Å; F332-W338 HydrophobicContact CD2-CE3 3.99Å; F332-W338 AromaticContact CD2-CH2 3.86Å; F332-W338 HydrophobicContact CD2-CH2 3.86Å; F332-W338 AromaticContact CD2-CZ2 3.77Å; F332-W338 HydrophobicContact CD2-CZ2 3.77Å; F332-W338 AromaticContact CD2-CZ3 3.96Å; F332-W338 HydrophobicContact CD2-CZ3 3.96Å; F332-W338 HydrophobicContact CE1-CB 3.61Å; F332-W338 AromaticContact CE1-CD2 3.66Å; F332-W338 HydrophobicContact CE1-CD2 3.66Å; F332-W338 AromaticContact CE1-CE3 3.95Å; F332-W338 HydrophobicContact CE1-CE3 3.95Å; F332-W338 AromaticContact CE1-CG 3.52Å; F332-W338 HydrophobicContact CE1-CG 3.52Å; F332-W338 AromaticContact CE2-CD2 3.88Å; F332-W338 HydrophobicContact CE2-CD2 3.88Å; F332-W338 AromaticContact CE2-CE2 3.67Å; F332-W338 HydrophobicContact CE2-CE3 4.42Å; F332-W338 HydrophobicContact CE2-CG 4.16Å; F332-W338 HydrophobicContact CE2-CZ2 4.05Å; F332-W338 AromaticContact CE2-NE1 3.81Å; F332-W338 AromaticContact CG-CD2 3.81Å; F332-W338 HydrophobicContact CG-CD2 3.81Å; F332-W338 AromaticContact CG-CE3 3.49Å; F332-W338 HydrophobicContact CG-CE3 3.49Å; F332-W338 VanDerWaalsContact CG-CE3 3.49Å; F332-W338 AromaticContact CG-CH2 3.94Å; F332-W338 HydrophobicContact CG-CH2 3.94Å; F332-W338 HydrophobicContact CG-CZ2 4.22Å; F332-W338 AromaticContact CG-CZ3 3.55Å; F332-W338 HydrophobicContact CG-CZ3 3.55Å; F332-W338 HydrophobicContact CZ-CB 4.08Å; F332-W338 AromaticContact CZ-CD1 3.67Å; F332-W338 AromaticContact CZ-CD2 3.75Å; F332-W338 HydrophobicContact CZ-CD2 3.75Å; F332-W338 AromaticContact CZ-CE2 3.94Å; F332-W338 HydrophobicContact CZ-CE3 4.39Å; F332-W338 AromaticContact CZ-CG 3.59Å; F332-W338 HydrophobicContact CZ-CG 3.59Å; F332-W338 AromaticContact CZ-NE1 3.88Å; W338-K345 CarbonylContact O-C 3.59Å; W338-K345 WeakPolarHBondContact O-CA 3.42Å; W338-K345 WeakPolarHBondContact O-CG 3.36Å; W338-C346 HydrophobicContact CD2-CB 4.17Å; W338-C346 HydrophobicContact CZ2-CB 3.88Å; W338-C346 PolarHBondContact N-O 2.86Å; W338-C346 PolarHBondContact O-N 2.72Å; W338-C348 HydrophobicContact CH2-CB 3.87Å; W338-C348 HydrophobicContact CZ3-CB 3.69Å; W338-I353 HydrophobicContact CH2-CG1 4.17Å; W338-I353 HydrophobicContact CH2-CG2 4.47Å; W338-I353 HydrophobicContact CZ2-CD1 4.47Å; W338-I353 HydrophobicContact CZ2-CG1 4.08Å; W338-I353 HydrophobicContact CZ2-CG2 4Å
339	V	64.2	Low	68.4	Low	92 Å²	92	62.5 Å²	62.5	56%	0.558	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114	131.9	177.1	177.7	0	0	0	0	107.1	D341 T344 K345	V339-D341 WeakPolarHBondContact CG1-O 3.45Å; V339-T344 WeakPolarHBondContact CA-O 3.35Å; V339-K345 HydrophobicContact CG2-CD 4.43Å; V339-K345 HydrophobicContact CG2-CG 4.21Å
340	V	66.4	Low	69.3	Low	58 Å²	58	68.5 Å²	68.5	35%	0.352	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-41.9	-175.2	175.9	0	0	0	0	110.7	T344 C346	V340-T344 HydrophobicContact CB-CG2 4.42Å; V340-T344 PolarHBondContact N-O 3.31Å; V340-C346 HydrophobicContact CG2-CB 4.32Å; V340-C346 WeakPolarHBondContact CG2-SG 3.49Å
341	D	59.3	Low	69.5	Low	79 Å²	79	63.2 Å²	63.2	42%	0.422	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	172.9	172.8	61.2	49.9	0	0	0	108.2	V339 C343 T344	V339-D341 WeakPolarHBondContact CG1-O 3.45Å; D341-C343 PolarHBondContact O-N 3.24Å; D341-C343 WeakPolarHBondContact OD1-CA 3.47Å; D341-C343 VanDerWaalsContact OD1-CB 3.27Å; D341-C343 WeakPolarHBondContact OD1-CB 3.44Å; D341-C343 PolarHBondContact OD1-N 3.18Å; D341-T344 PolarHBondContact O-N 3.37Å; D341-T344 VanDerWaalsContact O-N 3.09Å; D341-T344 VanDerWaalsContact OD1-CB 3.29Å; D341-T344 WeakPolarHBondContact OD1-CB 3.24Å; D341-T344 PolarHBondContact OD1-N 2.73Å; D341-T344 PolarHBondContact OD1-OG1 3.22Å; D341-T344 PolarHBondContact OD2-OG1 2.83Å
342	S	56.8	Low	69.3	Low	67 Å²	67	67.9 Å²	67.9	47%	0.469	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-19.4	179.4	-57.6	0	0	0	0	114.4	I358 G373 C375	S342-I358 WeakPolarHBondContact O-CD1 3.16Å; S342-G373 VanDerWaalsContact CB-O 3.31Å; S342-G373 WeakPolarHBondContact CB-O 3.14Å; S342-G373 PolarHBondContact OG-O 2.6Å; S342-C375 VanDerWaalsContact O-CB 3.25Å; S342-C375 WeakPolarHBondContact O-CB 3.2Å
343	C	58.3	Low	69.4	Low	43 Å²	43	69.8 Å²	69.8	29%	0.291	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-3.3	-178.2	-70.9	0	0	0	0	115.2	D341 Q357 I358 C375	D341-C343 PolarHBondContact O-N 3.24Å; D341-C343 WeakPolarHBondContact OD1-CA 3.47Å; D341-C343 VanDerWaalsContact OD1-CB 3.27Å; D341-C343 WeakPolarHBondContact OD1-CB 3.44Å; D341-C343 PolarHBondContact OD1-N 3.18Å; C343-Q357 CarbonylContact O-C 3.56Å; C343-Q357 WeakPolarHBondContact O-CA 3.3Å; C343-I358 WeakPolarHBondContact O-CB 3.32Å; C343-I358 WeakPolarHBondContact O-CG1 3.05Å; C343-I358 PolarHBondContact O-N 2.91Å; C343-C375 WeakPolarHBondContact CA-SG 3.42Å; C343-C375 HydrophobicContact CB-CB 4.01Å; C343-C375 WeakPolarHBondContact CB-SG 3.23Å; C343-C375 VanDerWaalsContact SG-CA 3.56Å; C343-C375 WeakPolarHBondContact SG-CB 3.33Å; C343-C375 CovalentContact SG-SG 2.03Å; C343-C375 PolarHBondContact SG-SG 2.79Å
344	T	72.1	Confident	69.6	Low	14 Å²	14	69.4 Å²	69.4	9%	0.086	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	118.5	-166.9	-54.5	0	0	0	0	112.4	V339 V340 D341 C355	V339-T344 WeakPolarHBondContact CA-O 3.35Å; V340-T344 HydrophobicContact CB-CG2 4.42Å; V340-T344 PolarHBondContact N-O 3.31Å; D341-T344 PolarHBondContact O-N 3.37Å; D341-T344 VanDerWaalsContact O-N 3.09Å; D341-T344 VanDerWaalsContact OD1-CB 3.29Å; D341-T344 WeakPolarHBondContact OD1-CB 3.24Å; D341-T344 PolarHBondContact OD1-N 2.73Å; D341-T344 PolarHBondContact OD1-OG1 3.22Å; D341-T344 PolarHBondContact OD2-OG1 2.83Å; T344-C355 HydrophobicContact CG2-CB 4.35Å
345	K	74.1	Confident	69.7	Low	95 Å²	95	70.5 Å²	70.5	41%	0.413	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.9	176.3	-171.4	170.1	-178.6	167	0	111.4	W338 V339 H356	W338-K345 CarbonylContact O-C 3.59Å; W338-K345 WeakPolarHBondContact O-CA 3.42Å; W338-K345 WeakPolarHBondContact O-CG 3.36Å; V339-K345 HydrophobicContact CG2-CD 4.43Å; V339-K345 HydrophobicContact CG2-CG 4.21Å; K345-H356 PolarHBondContact N-O 3.46Å; K345-H356 PolarHBondContact O-N 3.07Å
346	C	79.7	Confident	69.4	Low	1 Å²	1	69.8 Å²	69.8	1%	0.007	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	153.7	-177.2	-56.4	0	0	0	0	112.2	D337 W338 V340 I353 C355	D337-C346 CarbonylContact C-O 3.55Å; D337-C346 WeakPolarHBondContact CA-O 3.39Å; W338-C346 HydrophobicContact CD2-CB 4.17Å; W338-C346 HydrophobicContact CZ2-CB 3.88Å; W338-C346 PolarHBondContact N-O 2.86Å; W338-C346 PolarHBondContact O-N 2.72Å; V340-C346 HydrophobicContact CG2-CB 4.32Å; V340-C346 WeakPolarHBondContact CG2-SG 3.49Å; C346-I353 HydrophobicContact CB-CG2 4.18Å; C346-C355 HydrophobicContact CB-CB 4.09Å; C346-C355 WeakPolarHBondContact CB-SG 3.26Å; C346-C355 WeakPolarHBondContact SG-CB 3.23Å; C346-C355 CovalentContact SG-SG 2.04Å; C346-C355 PolarHBondContact SG-SG 2.85Å
347	K	79.3	Confident	68.6	Low	48 Å²	48	73.1 Å²	73.1	21%	0.209	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	135.1	178.9	-176.5	164.4	-153.9	67.6	0	110.4	K335 E336 D337 V354	K335-K347 PolarHBondContact O-NZ 2.88Å; E336-K347 WeakPolarHBondContact O-CA 3.4Å; D337-K347 WeakPolarHBondContact OD1-CB 3.26Å; D337-K347 VanDerWaalsContact OD1-CD 3.26Å; D337-K347 WeakPolarHBondContact OD1-CD 3.15Å; D337-K347 VanDerWaalsContact OD1-CG 3.27Å; D337-K347 WeakPolarHBondContact OD1-CG 3.45Å; D337-K347 IonicContact OD1-NZ 2.78Å; D337-K347 PolarHBondContact OD1-NZ 3.03Å; D337-K347 IonicContact OD2-NZ 3.36Å; D337-K347 PolarHBondContact OD2-NZ 2.81Å; K347-V354 PolarHBondContact N-O 3.09Å; K347-V354 VanDerWaalsContact N-O 3.14Å; K347-V354 PolarHBondContact O-N 3.12Å
348	C	77.6	Confident	67.9	Low	0 Å²	0	73 Å²	73	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	130.7	167.1	-175.1	0	0	0	0	109.3	C325 D333 K335 E336 W338	C325-C348 HydrophobicContact CB-CB 3.61Å; C325-C348 WeakPolarHBondContact CB-SG 3.19Å; C325-C348 PolarHBondContact N-SG 3.41Å; C325-C348 VanDerWaalsContact N-SG 3.37Å; C325-C348 WeakPolarHBondContact SG-CA 3.21Å; C325-C348 WeakPolarHBondContact SG-CB 3.4Å; C325-C348 CovalentContact SG-SG 2.04Å; C325-C348 PolarHBondContact SG-SG 3.04Å; D333-C348 WeakPolarHBondContact O-CB 3.1Å; K335-C348 WeakPolarHBondContact CA-O 3.37Å; K335-C348 PolarHBondContact N-O 2.85Å; E336-C348 PolarHBondContact O-N 2.83Å; W338-C348 HydrophobicContact CH2-CB 3.87Å; W338-C348 HydrophobicContact CZ3-CB 3.69Å
349	Q	70.1	Confident	66.7	Low	99 Å²	99	78.3 Å²	78.3	46%	0.463	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	109.7	-179.1	-156.4	168.8	1.4	0	0	110.1	S351 K352 V354	Q349-S351 VanDerWaalsContact C-N 3.35Å; Q349-S351 PolarHBondContact O-N 2.77Å; Q349-K352 PolarHBondContact N-O 3.33Å; Q349-K352 PolarHBondContact O-N 2.92Å; Q349-K352 VanDerWaalsContact O-N 3.08Å; Q349-V354 HydrophobicContact CB-CG2 4.02Å
350	E	71	Confident	66	Low	155 Å²	155	76 Å²	76	72%	0.724	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	46.3	-179.7	-58.1	-177.1	175.4	0	0	112.9	D334 K352	D334-E350 PolarHBondContact OD1-N 2.88Å; E350-K352 PolarHBondContact O-N 3.23Å
351	S	63.1	Low	65.2	Low	63 Å²	63	77.8 Å²	77.8	44%	0.441	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	23.8	-176.3	-50.6	0	0	0	0	114.4	N323 M324 Q349	N323-S351 WeakPolarHBondContact CA-OG 3.38Å; N323-S351 WeakPolarHBondContact CB-OG 3.34Å; M324-S351 PolarHBondContact N-OG 2.89Å; Q349-S351 VanDerWaalsContact C-N 3.35Å; Q349-S351 PolarHBondContact O-N 2.77Å
352	K	61.3	Low	64.5	Low	157 Å²	157	79.7 Å²	79.7	68%	0.683	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.5	145.2	167.5	-70.7	-175.1	177.1	-179	0	111	C325 Q349 E350	C325-K352 VanDerWaalsContact SG-C 3.58Å; C325-K352 PolarHBondContact SG-O 2.81Å; C325-K352 VanDerWaalsContact SG-O 3.4Å; Q349-K352 PolarHBondContact N-O 3.33Å; Q349-K352 PolarHBondContact O-N 2.92Å; Q349-K352 VanDerWaalsContact O-N 3.08Å; E350-K352 PolarHBondContact O-N 3.23Å
353	I	76.1	Confident	64.1	Low	64 Å²	64	79.9 Å²	79.9	33%	0.328	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	130.5	175.6	-63.7	164	0	0	0	108.7	C325 W326 Q327 W338 C346 C355	C325-I353 HydrophobicContact CB-CD1 4.44Å; C325-I353 HydrophobicContact CB-CG1 3.77Å; W326-I353 VanDerWaalsContact O-CD1 3.29Å; W326-I353 WeakPolarHBondContact O-CD1 3.42Å; Q327-I353 HydrophobicContact CB-CD1 3.74Å; Q327-I353 HydrophobicContact CG-CD1 3.89Å; W338-I353 HydrophobicContact CH2-CG1 4.17Å; W338-I353 HydrophobicContact CH2-CG2 4.47Å; W338-I353 HydrophobicContact CZ2-CD1 4.47Å; W338-I353 HydrophobicContact CZ2-CG1 4.08Å; W338-I353 HydrophobicContact CZ2-CG2 4Å; C346-I353 HydrophobicContact CB-CG2 4.18Å; I353-C355 WeakPolarHBondContact CG2-SG 3.06Å
354	V	73.2	Confident	63.4	Low	52 Å²	52	82.2 Å²	82.2	32%	0.315	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	87.3	177.6	-165.6	0	0	0	0	109.2	K347 Q349 H356	K347-V354 PolarHBondContact N-O 3.09Å; K347-V354 VanDerWaalsContact N-O 3.14Å; K347-V354 PolarHBondContact O-N 3.12Å; Q349-V354 HydrophobicContact CB-CG2 4.02Å; V354-H356 PolarHBondContact O-ND1 3.33Å; V354-H356 VanDerWaalsContact O-ND1 3.17Å
355	C	72.2	Confident	62.2	Low	63 Å²	63	83.8 Å²	83.8	43%	0.426	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	140.6	177.9	-66.7	0	0	0	0	112.8	T344 C346 I353	T344-C355 HydrophobicContact CG2-CB 4.35Å; C346-C355 HydrophobicContact CB-CB 4.09Å; C346-C355 WeakPolarHBondContact CB-SG 3.26Å; C346-C355 WeakPolarHBondContact SG-CB 3.23Å; C346-C355 CovalentContact SG-SG 2.04Å; C346-C355 PolarHBondContact SG-SG 2.85Å; I353-C355 WeakPolarHBondContact CG2-SG 3.06Å
356	H	62.8	Low	61	Low	118 Å²	118	82.4 Å²	82.4	55%	0.546	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	119.7	176.9	-61.4	79	0	0	0	108.8	K345 V354	K345-H356 PolarHBondContact N-O 3.46Å; K345-H356 PolarHBondContact O-N 3.07Å; V354-H356 PolarHBondContact O-ND1 3.33Å; V354-H356 VanDerWaalsContact O-ND1 3.17Å
357	Q	53.8	Low	59.3	Low	158 Å²	158	86 Å²	86	74%	0.738	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	135	170.9	-74.3	178.6	-37.5	0	0	110.6	C343 T359	C343-Q357 CarbonylContact O-C 3.56Å; C343-Q357 WeakPolarHBondContact O-CA 3.3Å; Q357-T359 PolarHBondContact O-N 2.91Å
358	I	58.4	Low	57.8	Low	81 Å²	81	87.2 Å²	87.2	42%	0.415	51%	0.508	S	S	.	.			trans	-67.8	108.6	175.6	-64.6	172	0	0	0	107.4	S342 C343 C360	S342-I358 WeakPolarHBondContact O-CD1 3.16Å; C343-I358 WeakPolarHBondContact O-CB 3.32Å; C343-I358 WeakPolarHBondContact O-CG1 3.05Å; C343-I358 PolarHBondContact O-N 2.91Å; I358-C360 PolarHBondContact O-N 3.41Å
359	T	51.6	Low	56.7	Low	137 Å²	137	90 Å²	90	84%	0.84	53%	0.528	S	S	*	.			trans	-84.8	100.7	178.2	13.1	0	0	0	0	109	Q357	Q357-T359 PolarHBondContact O-N 2.91Å
360	C	49.3	Very low	55.9	Low	45 Å²	45	91.2 Å²	91.2	30%	0.304	54%	0.537	S	S	.	.			trans	-56.4	144.6	-178.5	-69.2	0	0	0	0	113	I358 C376	I358-C360 PolarHBondContact O-N 3.41Å; C360-C376 VanDerWaalsContact CA-SG 3.55Å; C360-C376 HydrophobicContact CB-CB 3.8Å; C360-C376 WeakPolarHBondContact CB-SG 3.36Å; C360-C376 WeakPolarHBondContact SG-CA 3.32Å; C360-C376 WeakPolarHBondContact SG-CB 3.4Å; C360-C376 CovalentContact SG-SG 2.04Å; C360-C376 PolarHBondContact SG-SG 2.88Å
361	P	49.3	Very low	55.1	Low	94 Å²	94	88.4 Å²	88.4	61%	0.61	53%	0.526	S	S	*	.			trans	-57.2	142	167.5	-21.4	33	0	0	0	110.8	V363	P361-V363 VanDerWaalsContact O-CG2 3.22Å; P361-V363 WeakPolarHBondContact O-CG2 3.34Å; P361-V363 PolarHBondContact O-N 2.92Å; P361-V363 VanDerWaalsContact O-N 3.12Å
362	P	44	Very low	54.3	Low	120 Å²	120	93.6 Å²	93.6	78%	0.779	55%	0.549	S	S	*	.			trans	-69.2	111	177.3	27.9	-33.6	0	0	0	110.4
363	V	48.8	Very low	54	Low	70 Å²	70	88.9 Å²	88.9	42%	0.424	54%	0.544	S	S	.	.			trans	-92.4	137	-176.7	-154.5	0	0	0	0	110.2	P361 P377 C379	P361-V363 VanDerWaalsContact O-CG2 3.22Å; P361-V363 WeakPolarHBondContact O-CG2 3.34Å; P361-V363 PolarHBondContact O-N 2.92Å; P361-V363 VanDerWaalsContact O-N 3.12Å; V363-P377 HydrophobicContact CG2-CG 4.14Å; V363-P377 WeakPolarHBondContact CG2-O 3.32Å; V363-C379 HydrophobicContact CG1-CB 4.45Å; V363-C379 WeakPolarHBondContact CG1-SG 3.37Å
364	A	43.9	Very low	53.1	Low	92 Å²	92	91.8 Å²	91.8	76%	0.76	56%	0.557	S	S	*	*			trans	-120.1	82.8	-167.3	0	0	0	0	0	112.9
365	C	46.9	Very low	52.6	Low	48 Å²	48	90.4 Å²	90.4	32%	0.324	55%	0.549	S	S	.	.	S	Bend	trans	-142.8	170	165.5	62.6	0	0	0	0	110.6	C379	C365-C379 HydrophobicContact CB-CB 3.62Å; C365-C379 WeakPolarHBondContact CB-SG 3.47Å; C365-C379 WeakPolarHBondContact SG-CB 3.3Å; C365-C379 CovalentContact SG-SG 2.03Å; C365-C379 PolarHBondContact SG-SG 3.41Å
366	A	48.8	Very low	52	Low	65 Å²	65	89 Å²	89	54%	0.537	54%	0.54	S	S	.	.	S	Bend	trans	-73.5	-27.7	-176.4	0	0	0	0	0	114.2	S384	A366-S384 WeakPolarHBondContact CB-OG 3.38Å
367	S	43.6	Very low	51.7	Low	76 Å²	76	85.5 Å²	85.5	53%	0.531	53%	0.528	S	S	.	.	S	Bend	trans	-143.4	76.6	-173.7	40.5	0	0	0	0	110.7
368	P	48.7	Very low	51.7	Low	75 Å²	75	81 Å²	81	49%	0.487	51%	0.511	S	S	.	.			trans	-64	137.9	172.3	24.7	-31.5	0	0	0	111.3	P377	P368-P377 HydrophobicContact CB-CB 3.7Å; P368-P377 HydrophobicContact CB-CG 4.48Å
369	S	54	Low	51.3	Low	59 Å²	59	79.2 Å²	79.2	41%	0.413	51%	0.505	S	S	.	.	B	Isolated β-bridge	trans	-109.8	144.6	172.4	-9.4	0	0	0	0	109.7	P377 V378	S369-P377 WeakPolarHBondContact O-CA 3.16Å; S369-V378 PolarHBondContact N-O 3.46Å; S369-V378 PolarHBondContact O-N 2.88Å
370	L	52.2	Low	51.1	Low	123 Å²	123	80 Å²	80	64%	0.644	50%	0.501	S	S	*	.			trans	-91	149.3	166	-147.2	71.5	0	0	0	108.6
371	I	54.7	Low	50.9	Low	96 Å²	96	83.5 Å²	83.5	49%	0.492	52%	0.523	S	S	.	.			trans	-124.4	131.3	177.3	-56.7	176	0	0	0	106.2	G373 E374 V378	I371-G373 PolarHBondContact O-N 2.8Å; I371-E374 PolarHBondContact O-N 3.45Å; I371-E374 VanDerWaalsContact O-N 3.12Å; I371-V378 HydrophobicContact CD1-CB 4.4Å; I371-V378 HydrophobicContact CD1-CG2 4.04Å
372	D	45.8	Very low	50.2	Low	172 Å²	172	87 Å²	87	92%	0.92	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	130.7	-177.8	-80.3	-45.5	0	0	0	111.6
373	G	55.6	Low	50	Low	58 Å²	58	87.6 Å²	87.6	60%	0.598	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.9	-28.1	-175	0	0	0	0	0	115.4	S342 I371	S342-G373 VanDerWaalsContact CB-O 3.31Å; S342-G373 WeakPolarHBondContact CB-O 3.14Å; S342-G373 PolarHBondContact OG-O 2.6Å; I371-G373 PolarHBondContact O-N 2.8Å
374	E	56.5	Low	49.4	Very low	125 Å²	125	88.8 Å²	88.8	58%	0.584	54%	0.537	S	S	*	.			trans	-104	134.4	-178.9	-69.3	-158.5	163.9	0	0	113.9	I371 C376	I371-E374 PolarHBondContact O-N 3.45Å; I371-E374 VanDerWaalsContact O-N 3.12Å; E374-C376 PolarHBondContact O-N 2.77Å
375	C	63.8	Low	49.6	Very low	24 Å²	24	92.7 Å²	92.7	16%	0.162	54%	0.539	C	S	.	.	S	Bend	trans	-70.9	-27.6	-177.9	179.8	0	0	0	0	114.8	S342 C343	S342-C375 VanDerWaalsContact O-CB 3.25Å; S342-C375 WeakPolarHBondContact O-CB 3.2Å; C343-C375 WeakPolarHBondContact CA-SG 3.42Å; C343-C375 HydrophobicContact CB-CB 4.01Å; C343-C375 WeakPolarHBondContact CB-SG 3.23Å; C343-C375 VanDerWaalsContact SG-CA 3.56Å; C343-C375 WeakPolarHBondContact SG-CB 3.33Å; C343-C375 CovalentContact SG-SG 2.03Å; C343-C375 PolarHBondContact SG-SG 2.79Å
376	C	58.7	Low	49.9	Very low	33 Å²	33	96.2 Å²	96.2	22%	0.223	56%	0.555	C	S	.	*	S	Bend	trans	-110.7	133.5	-167.1	-59.8	0	0	0	0	111.7	C360 E374	C360-C376 VanDerWaalsContact CA-SG 3.55Å; C360-C376 HydrophobicContact CB-CB 3.8Å; C360-C376 WeakPolarHBondContact CB-SG 3.36Å; C360-C376 WeakPolarHBondContact SG-CA 3.32Å; C360-C376 WeakPolarHBondContact SG-CB 3.4Å; C360-C376 CovalentContact SG-SG 2.04Å; C360-C376 PolarHBondContact SG-SG 2.88Å; E374-C376 PolarHBondContact O-N 2.77Å
377	P	56.3	Low	50.1	Low	45 Å²	45	94.2 Å²	94.2	29%	0.292	54%	0.54	S	S	.	.			trans	-64	146.3	-176.6	22.6	-32.2	0	0	0	112.9	V363 P368 S369	V363-P377 HydrophobicContact CG2-CG 4.14Å; V363-P377 WeakPolarHBondContact CG2-O 3.32Å; P368-P377 HydrophobicContact CB-CB 3.7Å; P368-P377 HydrophobicContact CB-CG 4.48Å; S369-P377 WeakPolarHBondContact O-CA 3.16Å
378	V	54.7	Low	50.9	Low	63 Å²	63	92.6 Å²	92.6	38%	0.382	52%	0.523	S	S	.	.	B	Isolated β-bridge	trans	-115.6	147.4	-180	-158	0	0	0	0	110.1	S369 I371	S369-V378 PolarHBondContact N-O 3.46Å; S369-V378 PolarHBondContact O-N 2.88Å; I371-V378 HydrophobicContact CD1-CB 4.4Å; I371-V378 HydrophobicContact CD1-CG2 4.04Å
379	C	50.8	Low	51.3	Low	44 Å²	44	91 Å²	91	30%	0.297	51%	0.514	S	S	.	.			trans	-109.2	104.5	-175.1	-74.9	0	0	0	0	112	V363 C365	V363-C379 HydrophobicContact CG1-CB 4.45Å; V363-C379 WeakPolarHBondContact CG1-SG 3.37Å; C365-C379 HydrophobicContact CB-CB 3.62Å; C365-C379 WeakPolarHBondContact CB-SG 3.47Å; C365-C379 WeakPolarHBondContact SG-CB 3.3Å; C365-C379 CovalentContact SG-SG 2.03Å; C365-C379 PolarHBondContact SG-SG 3.41Å
380	M	47.3	Very low	51.5	Low	153 Å²	153	93.3 Å²	93.3	75%	0.754	53%	0.527	S	S	*	.			trans	-78.4	139.4	163.8	-76.9	-66.6	-168.8	0	0	110.5	K382	M380-K382 PolarHBondContact O-N 2.95Å
381	P	44.3	Very low	52	Low	118 Å²	118	90.4 Å²	90.4	77%	0.766	51%	0.508	S	S	*	.			trans	-86.5	112.8	-169.4	31.7	-34	0	0	0	113.1
382	K	35.3	Very low	52.2	Low	167 Å²	167	88.6 Å²	88.6	73%	0.726	50%	0.504	S	S	*	.			trans	-162.4	139.3	136	-110.6	-177.8	175.8	-175.5	0	114.7	M380	M380-K382 PolarHBondContact O-N 2.95Å
383	D	39.6	Very low	53	Low	134 Å²	134	87.1 Å²	87.1	72%	0.717	49%	0.491	S	S	*	.			trans	46.6	103.4	145.8	-48.2	-26.1	0	0	0	119.8
384	S	35	Very low	53.5	Low	95 Å²	95	86.3 Å²	86.3	66%	0.664	47%	0.47	S	S	*	.			trans	-142.4	155	145.6	84.4	0	0	0	0	111.7	A366	A366-S384 WeakPolarHBondContact CB-OG 3.38Å
385	E	49.2	Very low	53.8	Low	174 Å²	174	82.9 Å²	82.9	81%	0.813	46%	0.458	S	S	*	.			trans	-88.3	141.1	-169.7	-49.2	-174.3	130.5	0	0	112.7
386	D	53	Low	53.9	Low	121 Å²	121	90.1 Å²	90.1	65%	0.647	49%	0.489	S	S	*	.			trans	179.7	-9.8	146.3	-122.7	-1.5	0	0	0	115	W388	D386-W388 PolarHBondContact O-N 2.67Å
387	G	53.7	Low	54.5	Low	23 Å²	23	89.8 Å²	89.8	24%	0.237	49%	0.487	C	S	.	.	S	Bend	trans	73.9	-10.5	174.7	0	0	0	0	0	116.6	D413	G387-D413 PolarHBondContact O-N 3.28Å
388	W	60.3	Low	54.6	Low	43 Å²	43	89 Å²	89	16%	0.163	48%	0.482	C	S	.	.	B	Isolated β-bridge	trans	-76.5	140.5	163.9	-77.9	111.1	0	0	0	111.1	D386 R410 C412 C419 T420 G421	D386-W388 PolarHBondContact O-N 2.67Å; W388-R410 HydrophobicContact CD2-CG 4.3Å; W388-R410 VanDerWaalsContact CD2-CZ 3.45Å; W388-R410 VanDerWaalsContact CE2-NH2 3.34Å; W388-R410 HydrophobicContact CE3-CB 4.43Å; W388-R410 HydrophobicContact CE3-CG 3.58Å; W388-R410 HydrophobicContact CZ3-CG 3.82Å; W388-C412 HydrophobicContact CE3-CB 4.03Å; W388-C412 HydrophobicContact CH2-CB 4.39Å; W388-C412 HydrophobicContact CZ3-CB 3.85Å; W388-C419 HydrophobicContact CD2-CB 3.87Å; W388-C419 HydrophobicContact CE3-CB 4.3Å; W388-C419 HydrophobicContact CG-CB 4.38Å; W388-C419 HydrophobicContact CH2-CB 4.14Å; W388-C419 HydrophobicContact CZ2-CB 3.68Å; W388-C419 HydrophobicContact CZ3-CB 4.43Å; W388-T420 PolarHBondContact NE1-O 3.08Å; W388-G421 VanDerWaalsContact CZ2-O 3.32Å; W388-G421 WeakPolarHBondContact CZ2-O 3.44Å
389	S	56	Low	54.8	Low	42 Å²	42	87.7 Å²	87.7	29%	0.294	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-64.9	158.9	160.9	82.3	0	0	0	0	110.4	S411	S389-S411 WeakPolarHBondContact CB-O 3.01Å; S389-S411 PolarHBondContact N-O 2.83Å; S389-S411 PolarHBondContact OG-N 3.05Å; S389-S411 PolarHBondContact OG-O 2.82Å
390	P	57.9	Low	55.3	Low	107 Å²	107	91.4 Å²	91.4	70%	0.695	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-49.5	150.9	160.7	-26.3	35.4	0	0	0	111.5
391	W	63.1	Low	56.2	Low	62 Å²	62	86.1 Å²	86.1	24%	0.235	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-67.8	140.4	168.5	-73.2	100.5	0	0	0	110.1	R408 G409 R410 P422 S423 Q425	W391-R408 HydrophobicContact CD2-CG 4.48Å; W391-R408 HydrophobicContact CE3-CG 3.91Å; W391-G409 VanDerWaalsContact CE3-C 3.48Å; W391-R410 HydrophobicContact CD2-CB 4.01Å; W391-R410 HydrophobicContact CD2-CG 3.87Å; W391-R410 VanDerWaalsContact CE2-CD 3.45Å; W391-R410 HydrophobicContact CE3-CB 3.87Å; W391-R410 HydrophobicContact CE3-CG 3.77Å; W391-R410 HydrophobicContact CG-CB 4.4Å; W391-R410 HydrophobicContact CH2-CG 3.85Å; W391-R410 HydrophobicContact CZ2-CG 3.95Å; W391-R410 VanDerWaalsContact CZ2-NE 3.26Å; W391-R410 HydrophobicContact CZ3-CB 4.28Å; W391-R410 HydrophobicContact CZ3-CG 3.76Å; W391-P422 WeakPolarHBondContact CH2-O 3.38Å; W391-S423 WeakPolarHBondContact CZ3-O 3.26Å; W391-Q425 HydrophobicContact CE3-CB 4.3Å; W391-Q425 HydrophobicContact CH2-CB 3.8Å; W391-Q425 HydrophobicContact CZ2-CB 4.3Å; W391-Q425 HydrophobicContact CZ3-CB 3.8Å
392	S	58.6	Low	57.1	Low	58 Å²	58	81.4 Å²	81.4	41%	0.406	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-60.3	163.8	166.1	76.8	0	0	0	0	110.8	R408 G409	S392-R408 WeakPolarHBondContact O-CB 3.34Å; S392-R408 VanDerWaalsContact O-CD 3.24Å; S392-R408 WeakPolarHBondContact O-CD 2.78Å; S392-R408 WeakPolarHBondContact OG-CB 3.33Å; S392-G409 WeakPolarHBondContact CB-O 3.34Å; S392-G409 PolarHBondContact N-O 3.02Å; S392-G409 PolarHBondContact OG-N 2.84Å; S392-G409 PolarHBondContact OG-O 3.04Å
393	E	63.4	Low	58.6	Low	140 Å²	140	79.6 Å²	79.6	65%	0.654	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-60	157.7	164.6	-82.2	-49.9	129	0	0	112.7	R408	E393-R408 WeakPolarHBondContact O-CB 3.32Å
394	W	66.3	Low	60	Low	42 Å²	42	73.6 Å²	73.6	16%	0.159	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-71.6	133.5	174.2	-70.6	99	0	0	0	110.5	Q406 R408 Q425 R427	W394-Q406 HydrophobicContact CB-CB 4.35Å; W394-Q406 HydrophobicContact CE3-CB 3.87Å; W394-Q406 WeakPolarHBondContact CZ3-O 3.26Å; W394-R408 HydrophobicContact CD2-CB 4.23Å; W394-R408 HydrophobicContact CD2-CG 3.85Å; W394-R408 VanDerWaalsContact CE2-CD 3.41Å; W394-R408 VanDerWaalsContact CE2-NE 3.34Å; W394-R408 HydrophobicContact CE3-CB 4.08Å; W394-R408 HydrophobicContact CE3-CG 3.79Å; W394-R408 HydrophobicContact CH2-CG 3.96Å; W394-R408 HydrophobicContact CZ2-CG 4Å; W394-R408 VanDerWaalsContact CZ2-NE 3.29Å; W394-R408 HydrophobicContact CZ3-CB 4.48Å; W394-R408 HydrophobicContact CZ3-CG 3.84Å; W394-Q425 HydrophobicContact CH2-CB 3.88Å; W394-Q425 HydrophobicContact CH2-CG 3.87Å; W394-Q425 HydrophobicContact CZ2-CG 4.46Å; W394-Q425 HydrophobicContact CZ3-CB 4.42Å; W394-R427 VanDerWaalsContact CD1-CZ 3.45Å; W394-R427 HydrophobicContact CD2-CG 4.09Å; W394-R427 HydrophobicContact CE3-CG 3.81Å; W394-R427 HydrophobicContact CH2-CB 3.73Å; W394-R427 HydrophobicContact CH2-CG 3.78Å; W394-R427 HydrophobicContact CZ2-CB 4.23Å; W394-R427 HydrophobicContact CZ2-CG 4.06Å; W394-R427 HydrophobicContact CZ3-CB 3.96Å; W394-R427 HydrophobicContact CZ3-CG 3.66Å
395	T	62.7	Low	61.4	Low	53 Å²	53	71.2 Å²	71.2	33%	0.325	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-57.1	158	168.9	62.4	0	0	0	0	111.2	Q406 Q407	T395-Q406 WeakPolarHBondContact O-CB 3.21Å; T395-Q406 WeakPolarHBondContact O-CG 3.24Å; T395-Q406 PolarHBondContact O-NE2 2.84Å; T395-Q407 WeakPolarHBondContact CG2-O 3.26Å; T395-Q407 PolarHBondContact N-O 3.14Å; T395-Q407 PolarHBondContact OG1-N 3.3Å
396	E	65.5	Low	62.3	Low	175 Å²	175	64.4 Å²	64.4	82%	0.818	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-53.3	159	163.9	-65.1	-173	167.3	0	0	111.9	T398	E396-T398 PolarHBondContact O-N 2.65Å
397	C	71.4	Confident	62.9	Low	27 Å²	27	62.1 Å²	62.1	18%	0.182	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-65.8	131.1	179.7	-167.2	0	0	0	0	110	V399 Q406 C429 L431	C397-V399 PolarHBondContact O-N 3.1Å; C397-Q406 HydrophobicContact CB-CG 4.42Å; C397-C429 WeakPolarHBondContact CA-SG 3.43Å; C397-C429 HydrophobicContact CB-CB 3.9Å; C397-C429 WeakPolarHBondContact CB-SG 3.42Å; C397-C429 WeakPolarHBondContact SG-CB 3.39Å; C397-C429 CovalentContact SG-SG 2.03Å; C397-C429 PolarHBondContact SG-SG 3.2Å; C397-L431 HydrophobicContact CB-CD1 4.33Å
398	T	58.8	Low	63.5	Low	29 Å²	29	64 Å²	64	18%	0.178	35%	0.347	C	S	.	.	S	Bend	trans	-64	-2.9	-178.4	46.8	0	0	0	0	115	E396 T405 A470	E396-T398 PolarHBondContact O-N 2.65Å; T398-T405 WeakPolarHBondContact CG2-O 3.2Å; T398-T405 PolarHBondContact N-O 2.77Å; T398-T405 PolarHBondContact OG1-N 3.36Å; T398-T405 PolarHBondContact OG1-O 2.78Å; T398-T405 VanDerWaalsContact OG1-O 3.06Å; T398-T405 PolarHBondContact OG1-OG1 2.87Å; T398-A470 HydrophobicContact CG2-CB 4.28Å
399	V	59.7	Low	63.5	Low	35 Å²	35	63.3 Å²	63.3	21%	0.212	35%	0.353	C	S	.	.			trans	-133.9	146.4	174.1	-55	0	0	0	0	109.8	C397 C401	C397-V399 PolarHBondContact O-N 3.1Å; V399-C401 WeakPolarHBondContact CB-O 3.1Å; V399-C401 WeakPolarHBondContact CG2-O 3.3Å
400	T	61	Low	64	Low	122 Å²	122	63.9 Å²	63.9	75%	0.748	35%	0.349	S	S	*	.	S	Bend	trans	-84.9	-12.5	174	49.7	0	0	0	0	113.3
401	C	64.9	Low	63.8	Low	41 Å²	41	62.8 Å²	62.8	28%	0.277	34%	0.344	S	S	.	.	S	Bend	trans	-151.9	154.3	178	63.9	0	0	0	0	109.4	V399 G432 C434	V399-C401 WeakPolarHBondContact CB-O 3.1Å; V399-C401 WeakPolarHBondContact CG2-O 3.3Å; C401-G432 CarbonylContact C-O 3.53Å; C401-G432 WeakPolarHBondContact CA-O 3.11Å; C401-G432 VanDerWaalsContact CB-O 3.25Å; C401-G432 WeakPolarHBondContact CB-O 3.27Å; C401-C434 HydrophobicContact CB-CB 4.02Å; C401-C434 WeakPolarHBondContact CB-SG 3.21Å; C401-C434 PolarHBondContact O-SG 3.08Å; C401-C434 VanDerWaalsContact SG-CA 3.57Å; C401-C434 WeakPolarHBondContact SG-CB 3.49Å; C401-C434 CovalentContact SG-SG 2.04Å; C401-C434 PolarHBondContact SG-SG 2.88Å
402	G	64.8	Low	63.4	Low	20 Å²	20	62.4 Å²	62.4	21%	0.206	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	73.3	-160.2	-177.6	0	0	0	0	0	113.9	S430 L431 G432	G402-S430 WeakPolarHBondContact O-CA 3.11Å; G402-L431 WeakPolarHBondContact CA-O 3.21Å; G402-L431 PolarHBondContact N-O 3.41Å; G402-L431 PolarHBondContact O-N 2.9Å; G402-G432 PolarHBondContact N-O 2.86Å
403	I	66.6	Low	63.1	Low	128 Å²	128	64 Å²	64	66%	0.656	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	121	-176.1	-50.1	177.4	0	0	0	109.7	C429	I403-C429 CarbonylContact C-O 3.58Å; I403-C429 WeakPolarHBondContact CA-O 3.43Å
404	G	68.1	Low	62.5	Low	8 Å²	8	61.3 Å²	61.3	8%	0.082	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	-159	172.9	0	0	0	0	0	112.4	K428 C429	G404-K428 WeakPolarHBondContact O-CA 3.46Å; G404-C429 PolarHBondContact N-O 2.87Å; G404-C429 PolarHBondContact O-N 2.88Å
405	T	64.6	Low	61.7	Low	46 Å²	46	65.5 Å²	65.5	28%	0.282	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	157	176.6	50.2	0	0	0	0	112.1	T398 T426 R427 K428 C429	T398-T405 WeakPolarHBondContact CG2-O 3.2Å; T398-T405 PolarHBondContact N-O 2.77Å; T398-T405 PolarHBondContact OG1-N 3.36Å; T398-T405 PolarHBondContact OG1-O 2.78Å; T398-T405 VanDerWaalsContact OG1-O 3.06Å; T398-T405 PolarHBondContact OG1-OG1 2.87Å; T405-T426 HydrophobicContact CG2-CG2 4.19Å; T405-R427 CarbonylContact C-O 3.56Å; T405-R427 WeakPolarHBondContact CA-O 3.42Å; T405-R427 WeakPolarHBondContact CB-O 3.46Å; T405-K428 HydrophobicContact CG2-CG 4.5Å; T405-C429 PolarHBondContact N-SG 3.38Å
406	Q	67	Low	61	Low	30 Å²	30	67 Å²	67	14%	0.14	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	150.2	167.5	-61.9	-178.4	-57.6	0	0	108.4	W394 T395 C397 T426 R427 C429	W394-Q406 HydrophobicContact CB-CB 4.35Å; W394-Q406 HydrophobicContact CE3-CB 3.87Å; W394-Q406 WeakPolarHBondContact CZ3-O 3.26Å; T395-Q406 WeakPolarHBondContact O-CB 3.21Å; T395-Q406 WeakPolarHBondContact O-CG 3.24Å; T395-Q406 PolarHBondContact O-NE2 2.84Å; C397-Q406 HydrophobicContact CB-CG 4.42Å; Q406-T426 WeakPolarHBondContact O-CA 3.25Å; Q406-R427 HydrophobicContact CB-CG 4.08Å; Q406-R427 PolarHBondContact N-O 3.17Å; Q406-R427 PolarHBondContact O-N 3.14Å; Q406-R427 VanDerWaalsContact OE1-CZ 3.25Å; Q406-C429 HydrophobicContact CG-CB 4.09Å
407	Q	66.5	Low	60.2	Low	74 Å²	74	62.5 Å²	62.5	35%	0.346	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	156	177.2	-56.7	-164.3	-64.6	0	0	111.1	T395 Q425 T426	T395-Q407 WeakPolarHBondContact CG2-O 3.26Å; T395-Q407 PolarHBondContact N-O 3.14Å; T395-Q407 PolarHBondContact OG1-N 3.3Å; Q407-Q425 WeakPolarHBondContact CA-O 3.24Å; Q407-T426 HydrophobicContact CG-CG2 4.11Å; Q407-T426 PolarHBondContact NE2-OG1 2.77Å
408	R	66.6	Low	59.4	Low	63 Å²	63	66.3 Å²	66.3	24%	0.238	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	156.3	168.3	62.8	177.9	-176.5	172	1	111.1	W391 S392 E393 W394 I424 Q425	W391-R408 HydrophobicContact CD2-CG 4.48Å; W391-R408 HydrophobicContact CE3-CG 3.91Å; S392-R408 WeakPolarHBondContact O-CB 3.34Å; S392-R408 VanDerWaalsContact O-CD 3.24Å; S392-R408 WeakPolarHBondContact O-CD 2.78Å; S392-R408 WeakPolarHBondContact OG-CB 3.33Å; E393-R408 WeakPolarHBondContact O-CB 3.32Å; W394-R408 HydrophobicContact CD2-CB 4.23Å; W394-R408 HydrophobicContact CD2-CG 3.85Å; W394-R408 VanDerWaalsContact CE2-CD 3.41Å; W394-R408 VanDerWaalsContact CE2-NE 3.34Å; W394-R408 HydrophobicContact CE3-CB 4.08Å; W394-R408 HydrophobicContact CE3-CG 3.79Å; W394-R408 HydrophobicContact CH2-CG 3.96Å; W394-R408 HydrophobicContact CZ2-CG 4Å; W394-R408 VanDerWaalsContact CZ2-NE 3.29Å; W394-R408 HydrophobicContact CZ3-CB 4.48Å; W394-R408 HydrophobicContact CZ3-CG 3.84Å; R408-I424 WeakPolarHBondContact O-CA 3.34Å; R408-Q425 HydrophobicContact CG-CB 3.98Å; R408-Q425 PolarHBondContact N-O 2.8Å; R408-Q425 PolarHBondContact O-N 3.06Å
409	G	59.7	Low	59.4	Low	27 Å²	27	66.2 Å²	66.2	28%	0.278	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	157.4	-176.2	0	0	0	0	0	113.2	W391 S392 S423	W391-G409 VanDerWaalsContact CE3-C 3.48Å; S392-G409 WeakPolarHBondContact CB-O 3.34Å; S392-G409 PolarHBondContact N-O 3.02Å; S392-G409 PolarHBondContact OG-N 2.84Å; S392-G409 PolarHBondContact OG-O 3.04Å; G409-S423 CarbonylContact C-O 3.58Å; G409-S423 VanDerWaalsContact CA-O 3.28Å; G409-S423 WeakPolarHBondContact CA-O 3.35Å
410	R	66.5	Low	59.1	Low	54 Å²	54	70.2 Å²	70.2	20%	0.204	43%	0.43	C	S	.	.			trans	-138.5	152	167.9	63.4	174.5	177.1	173.9	4.9	111.4	W388 W391 P422 S423	W388-R410 HydrophobicContact CD2-CG 4.3Å; W388-R410 VanDerWaalsContact CD2-CZ 3.45Å; W388-R410 VanDerWaalsContact CE2-NH2 3.34Å; W388-R410 HydrophobicContact CE3-CB 4.43Å; W388-R410 HydrophobicContact CE3-CG 3.58Å; W388-R410 HydrophobicContact CZ3-CG 3.82Å; W391-R410 HydrophobicContact CD2-CB 4.01Å; W391-R410 HydrophobicContact CD2-CG 3.87Å; W391-R410 VanDerWaalsContact CE2-CD 3.45Å; W391-R410 HydrophobicContact CE3-CB 3.87Å; W391-R410 HydrophobicContact CE3-CG 3.77Å; W391-R410 HydrophobicContact CG-CB 4.4Å; W391-R410 HydrophobicContact CH2-CG 3.85Å; W391-R410 HydrophobicContact CZ2-CG 3.95Å; W391-R410 VanDerWaalsContact CZ2-NE 3.26Å; W391-R410 HydrophobicContact CZ3-CB 4.28Å; W391-R410 HydrophobicContact CZ3-CG 3.76Å; R410-P422 PolarHBondContact NE-O 2.82Å; R410-S423 PolarHBondContact N-O 2.87Å; R410-S423 WeakPolarHBondContact O-CB 3.47Å
411	S	53.8	Low	59.1	Low	84 Å²	84	66.7 Å²	66.7	59%	0.587	42%	0.418	S	S	*	.			trans	-99.6	145.2	179.8	-61.7	0	0	0	0	110.3	S389	S389-S411 WeakPolarHBondContact CB-O 3.01Å; S389-S411 PolarHBondContact N-O 2.83Å; S389-S411 PolarHBondContact OG-N 3.05Å; S389-S411 PolarHBondContact OG-O 2.82Å
412	C	54.2	Low	58.7	Low	55 Å²	55	69.1 Å²	69.1	37%	0.372	43%	0.433	S	S	.	.	B	Isolated β-bridge	trans	-97.9	129.7	170	167.3	0	0	0	0	109.1	W388 A414 C419	W388-C412 HydrophobicContact CE3-CB 4.03Å; W388-C412 HydrophobicContact CH2-CB 4.39Å; W388-C412 HydrophobicContact CZ3-CB 3.85Å; C412-A414 PolarHBondContact O-N 2.81Å; C412-A414 PolarHBondContact SG-N 2.73Å; C412-C419 VanDerWaalsContact CA-SG 3.52Å; C412-C419 HydrophobicContact CB-CB 3.54Å; C412-C419 WeakPolarHBondContact CB-SG 3.21Å; C412-C419 WeakPolarHBondContact SG-CB 3.34Å; C412-C419 CovalentContact SG-SG 2.02Å; C412-C419 PolarHBondContact SG-SG 3.08Å
413	D	53.4	Low	58.5	Low	90 Å²	90	71 Å²	71	48%	0.481	44%	0.443	S	S	.	.			trans	-89.6	90.9	160.7	-165.8	-21	0	0	0	109.2	G387 T415	G387-D413 PolarHBondContact O-N 3.28Å; D413-T415 PolarHBondContact O-N 3.2Å; D413-T415 WeakPolarHBondContact OD1-CB 3.32Å; D413-T415 PolarHBondContact OD1-N 2.61Å; D413-T415 VanDerWaalsContact OD1-N 3.12Å; D413-T415 PolarHBondContact OD1-OG1 3.33Å
414	A	50.3	Low	58.2	Low	85 Å²	85	70 Å²	70	70%	0.702	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	10	-177.5	0	0	0	0	0	113.9	C412	C412-A414 PolarHBondContact O-N 2.81Å; C412-A414 PolarHBondContact SG-N 2.73Å
415	T	49.1	Very low	57.8	Low	129 Å²	129	73.2 Å²	73.2	79%	0.791	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-16.8	-177.1	-32.8	0	0	0	0	113	D413	D413-T415 PolarHBondContact O-N 3.2Å; D413-T415 WeakPolarHBondContact OD1-CB 3.32Å; D413-T415 PolarHBondContact OD1-N 2.61Å; D413-T415 VanDerWaalsContact OD1-N 3.12Å; D413-T415 PolarHBondContact OD1-OG1 3.33Å
416	S	49.5	Very low	58	Low	86 Å²	86	74.6 Å²	74.6	60%	0.601	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.9	-30.3	-175	51.3	0	0	0	0	115.7
417	N	48.3	Very low	58.1	Low	80 Å²	80	78.8 Å²	78.8	43%	0.428	47%	0.474	S	S	.	.	S	Bend	trans	-150.2	155.7	175.3	-102	-29.4	0	0	0	113.7	C419	N417-C419 PolarHBondContact O-N 2.87Å; N417-C419 VanDerWaalsContact O-N 3.14Å
418	P	53.6	Low	58.1	Low	106 Å²	106	83.4 Å²	83.4	69%	0.688	49%	0.493	S	S	*	.			trans	-79.7	93.6	180	32	-33.7	0	0	0	112.3	T420	P418-T420 PolarHBondContact O-N 2.97Å; P418-T420 PolarHBondContact O-OG1 2.91Å
419	C	58.7	Low	58.3	Low	27 Å²	27	81.3 Å²	81.3	18%	0.182	49%	0.487	C	S	.	.			trans	-57.9	104.1	-178.1	-51.1	0	0	0	0	113.7	W388 C412 N417	W388-C419 HydrophobicContact CD2-CB 3.87Å; W388-C419 HydrophobicContact CE3-CB 4.3Å; W388-C419 HydrophobicContact CG-CB 4.38Å; W388-C419 HydrophobicContact CH2-CB 4.14Å; W388-C419 HydrophobicContact CZ2-CB 3.68Å; W388-C419 HydrophobicContact CZ3-CB 4.43Å; C412-C419 VanDerWaalsContact CA-SG 3.52Å; C412-C419 HydrophobicContact CB-CB 3.54Å; C412-C419 WeakPolarHBondContact CB-SG 3.21Å; C412-C419 WeakPolarHBondContact SG-CB 3.34Å; C412-C419 CovalentContact SG-SG 2.02Å; C412-C419 PolarHBondContact SG-SG 3.08Å; N417-C419 PolarHBondContact O-N 2.87Å; N417-C419 VanDerWaalsContact O-N 3.14Å
420	T	54.3	Low	58.6	Low	120 Å²	120	84.1 Å²	84.1	74%	0.736	50%	0.503	S	S	*	.			trans	-92.7	135.5	-177.8	-52.3	0	0	0	0	111.8	W388 P418	W388-T420 PolarHBondContact NE1-O 3.08Å; P418-T420 PolarHBondContact O-N 2.97Å; P418-T420 PolarHBondContact O-OG1 2.91Å
421	G	60.3	Low	58.3	Low	48 Å²	48	86 Å²	86	50%	0.495	52%	0.516	S	S	.	.	S	Bend	trans	107.6	178.7	178	0	0	0	0	0	115.1	W388	W388-G421 VanDerWaalsContact CZ2-O 3.32Å; W388-G421 WeakPolarHBondContact CZ2-O 3.44Å
422	P	57.8	Low	58.7	Low	91 Å²	91	84.7 Å²	84.7	59%	0.591	52%	0.517	S	S	*	.			trans	-75.6	149	-179.9	30.9	-34.7	0	0	0	112.5	W391 R410	W391-P422 WeakPolarHBondContact CH2-O 3.38Å; R410-P422 PolarHBondContact NE-O 2.82Å
423	S	59.3	Low	58.8	Low	60 Å²	60	92.5 Å²	92.5	42%	0.42	54%	0.544	S	S	.	.	S	Bend	trans	-90.8	-5.2	174.8	53.4	0	0	0	0	114.2	W391 G409 R410	W391-S423 WeakPolarHBondContact CZ3-O 3.26Å; G409-S423 CarbonylContact C-O 3.58Å; G409-S423 VanDerWaalsContact CA-O 3.28Å; G409-S423 WeakPolarHBondContact CA-O 3.35Å; R410-S423 PolarHBondContact N-O 2.87Å; R410-S423 WeakPolarHBondContact O-CB 3.47Å
424	I	61.1	Low	59	Low	106 Å²	106	91.5 Å²	91.5	54%	0.544	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	131.8	177	-60.5	178.3	0	0	0	109.1	R408	R408-I424 WeakPolarHBondContact O-CA 3.34Å
425	Q	59.8	Low	59.4	Low	76 Å²	76	92.2 Å²	92.2	36%	0.355	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	146.5	173.8	-149.3	179	27.2	0	0	109.5	W391 W394 Q407 R408	W391-Q425 HydrophobicContact CE3-CB 4.3Å; W391-Q425 HydrophobicContact CH2-CB 3.8Å; W391-Q425 HydrophobicContact CZ2-CB 4.3Å; W391-Q425 HydrophobicContact CZ3-CB 3.8Å; W394-Q425 HydrophobicContact CH2-CB 3.88Å; W394-Q425 HydrophobicContact CH2-CG 3.87Å; W394-Q425 HydrophobicContact CZ2-CG 4.46Å; W394-Q425 HydrophobicContact CZ3-CB 4.42Å; Q407-Q425 WeakPolarHBondContact CA-O 3.24Å; R408-Q425 HydrophobicContact CG-CB 3.98Å; R408-Q425 PolarHBondContact N-O 2.8Å; R408-Q425 PolarHBondContact O-N 3.06Å
426	T	68.3	Low	59.6	Low	76 Å²	76	91 Å²	91	47%	0.466	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	130.4	177.3	-60.6	0	0	0	0	109.5	T405 Q406 Q407	T405-T426 HydrophobicContact CG2-CG2 4.19Å; Q406-T426 WeakPolarHBondContact O-CA 3.25Å; Q407-T426 HydrophobicContact CG-CG2 4.11Å; Q407-T426 PolarHBondContact NE2-OG1 2.77Å
427	R	68.3	Low	60.1	Low	117 Å²	117	96 Å²	96	44%	0.442	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	159.2	172.6	72.9	179.8	-178.2	-170.4	-2.1	110.9	W394 T405 Q406	W394-R427 VanDerWaalsContact CD1-CZ 3.45Å; W394-R427 HydrophobicContact CD2-CG 4.09Å; W394-R427 HydrophobicContact CE3-CG 3.81Å; W394-R427 HydrophobicContact CH2-CB 3.73Å; W394-R427 HydrophobicContact CH2-CG 3.78Å; W394-R427 HydrophobicContact CZ2-CB 4.23Å; W394-R427 HydrophobicContact CZ2-CG 4.06Å; W394-R427 HydrophobicContact CZ3-CB 3.96Å; W394-R427 HydrophobicContact CZ3-CG 3.66Å; T405-R427 CarbonylContact C-O 3.56Å; T405-R427 WeakPolarHBondContact CA-O 3.42Å; T405-R427 WeakPolarHBondContact CB-O 3.46Å; Q406-R427 HydrophobicContact CB-CG 4.08Å; Q406-R427 PolarHBondContact N-O 3.17Å; Q406-R427 PolarHBondContact O-N 3.14Å; Q406-R427 VanDerWaalsContact OE1-CZ 3.25Å
428	K	66.6	Low	60.6	Low	172 Å²	172	97.4 Å²	97.4	75%	0.748	55%	0.549	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84	147.8	169.7	-67.4	179.1	-178.4	175.3	0	109.9	G404 T405	G404-K428 WeakPolarHBondContact O-CA 3.46Å; T405-K428 HydrophobicContact CG2-CG 4.5Å
429	C	71.3	Confident	60.8	Low	18 Å²	18	100.2 Å²	100.2	12%	0.122	55%	0.546	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	152.8	171.6	49.4	0	0	0	0	108.7	C397 I403 G404 T405 Q406	C397-C429 WeakPolarHBondContact CA-SG 3.43Å; C397-C429 HydrophobicContact CB-CB 3.9Å; C397-C429 WeakPolarHBondContact CB-SG 3.42Å; C397-C429 WeakPolarHBondContact SG-CB 3.39Å; C397-C429 CovalentContact SG-SG 2.03Å; C397-C429 PolarHBondContact SG-SG 3.2Å; I403-C429 CarbonylContact C-O 3.58Å; I403-C429 WeakPolarHBondContact CA-O 3.43Å; G404-C429 PolarHBondContact N-O 2.87Å; G404-C429 PolarHBondContact O-N 2.88Å; T405-C429 PolarHBondContact N-SG 3.38Å; Q406-C429 HydrophobicContact CG-CB 4.09Å
430	S	65.8	Low	60.9	Low	86 Å²	86	102.3 Å²	102.3	60%	0.601	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-136.9	117.6	-179.4	-63.5	0	0	0	0	109.9	G402	G402-S430 WeakPolarHBondContact O-CA 3.11Å
431	L	61.1	Low	61.6	Low	93 Å²	93	100.4 Å²	100.4	49%	0.487	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	172.6	169.7	-62.7	178	0	0	0	109.4	C397 G402	C397-L431 HydrophobicContact CB-CD1 4.33Å; G402-L431 WeakPolarHBondContact CA-O 3.21Å; G402-L431 PolarHBondContact N-O 3.41Å; G402-L431 PolarHBondContact O-N 2.9Å
432	G	61	Low	61.9	Low	58 Å²	58	99 Å²	99	60%	0.598	53%	0.525	S	S	*	.	S	Bend	trans	-53.4	156.7	-170.5	0	0	0	0	0	114.9	C401 G402 C434	C401-G432 CarbonylContact C-O 3.53Å; C401-G432 WeakPolarHBondContact CA-O 3.11Å; C401-G432 VanDerWaalsContact CB-O 3.25Å; C401-G432 WeakPolarHBondContact CB-O 3.27Å; G402-G432 PolarHBondContact N-O 2.86Å; G432-C434 PolarHBondContact O-N 3.07Å
433	K	57.7	Low	62.5	Low	218 Å²	218	95.5 Å²	95.5	95%	0.948	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-57.3	125.4	-177.3	-68.5	179.2	178.9	174.5	0	111.8
434	C	57.7	Low	63.2	Low	69 Å²	69	95.8 Å²	95.8	47%	0.466	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-66.6	149.5	175.4	-58.7	0	0	0	0	113.4	C401 G432	C401-C434 HydrophobicContact CB-CB 4.02Å; C401-C434 WeakPolarHBondContact CB-SG 3.21Å; C401-C434 PolarHBondContact O-SG 3.08Å; C401-C434 VanDerWaalsContact SG-CA 3.57Å; C401-C434 WeakPolarHBondContact SG-CB 3.49Å; C401-C434 CovalentContact SG-SG 2.04Å; C401-C434 PolarHBondContact SG-SG 2.88Å; G432-C434 PolarHBondContact O-N 3.07Å
435	D	57.8	Low	63.4	Low	100 Å²	100	92 Å²	92	54%	0.535	48%	0.479	S	S	.	.	P	Polyproline II helix	trans	-77.6	130.3	160.9	-169.6	-9.2	0	0	0	109.8	R437	D435-R437 VanDerWaalsContact C-N 3.29Å; D435-R437 VanDerWaalsContact CG-NH2 3.32Å; D435-R437 PolarHBondContact O-N 2.91Å; D435-R437 IonicContact OD1-CZ 2.98Å; D435-R437 IonicContact OD1-NE 2.71Å; D435-R437 PolarHBondContact OD1-NE 2.58Å; D435-R437 IonicContact OD1-NH2 3.86Å; D435-R437 PolarHBondContact OD1-NH2 3.19Å; D435-R437 IonicContact OD2-CZ 2.93Å; D435-R437 IonicContact OD2-NE 3.69Å; D435-R437 IonicContact OD2-NH2 3.01Å; D435-R437 PolarHBondContact OD2-NH2 2.97Å
436	S	54.3	Low	63.5	Low	104 Å²	104	95.3 Å²	95.3	73%	0.727	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	25.1	-163.1	54.1	0	0	0	0	114.9
437	R	59.9	Low	63.5	Low	192 Å²	192	94.9 Å²	94.9	73%	0.725	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.6	7.6	-165.4	-73	174.1	-70.7	-177.1	3.8	116.3	D435	D435-R437 VanDerWaalsContact C-N 3.29Å; D435-R437 VanDerWaalsContact CG-NH2 3.32Å; D435-R437 PolarHBondContact O-N 2.91Å; D435-R437 IonicContact OD1-CZ 2.98Å; D435-R437 IonicContact OD1-NE 2.71Å; D435-R437 PolarHBondContact OD1-NE 2.58Å; D435-R437 IonicContact OD1-NH2 3.86Å; D435-R437 PolarHBondContact OD1-NH2 3.19Å; D435-R437 IonicContact OD2-CZ 2.93Å; D435-R437 IonicContact OD2-NE 3.69Å; D435-R437 IonicContact OD2-NH2 3.01Å; D435-R437 PolarHBondContact OD2-NH2 2.97Å
438	V	57.2	Low	62.9	Low	109 Å²	109	91.3 Å²	91.3	66%	0.661	48%	0.481	S	S	*	.			trans	-110.4	134.5	-177.5	-174.4	0	0	0	0	111.2
439	R	57.9	Low	62.6	Low	165 Å²	165	88.5 Å²	88.5	62%	0.623	48%	0.481	S	S	*	.			trans	-77.7	129.9	171.6	-178.9	-175.4	-175	-172.7	2.3	109.5	G476	R439-G476 VanDerWaalsContact CZ-O 3.29Å; R439-G476 PolarHBondContact NE-O 2.91Å; R439-G476 PolarHBondContact NH2-O 3.48Å
440	Q	61.4	Low	62.4	Low	71 Å²	71	91.3 Å²	91.3	33%	0.332	49%	0.489	S	S	.	.	B	Isolated β-bridge	trans	-120.9	111.8	-173.4	-168.2	166.5	20.4	0	0	110.6	P471 P473 Q474	Q440-P471 HydrophobicContact CG-CB 4.38Å; Q440-P471 HydrophobicContact CG-CG 3.96Å; Q440-P473 WeakPolarHBondContact O-CA 3.49Å; Q440-Q474 PolarHBondContact O-N 2.65Å
441	D	68.2	Low	62	Low	79 Å²	79	89.9 Å²	89.9	42%	0.422	48%	0.479	S	S	.	.			trans	-73.8	155.6	172	-70	-13.1	0	0	0	110.4	G477 K478	D441-G477 WeakPolarHBondContact OD1-CA 3.29Å; D441-K478 HydrophobicContact CB-CB 4.43Å; D441-K478 PolarHBondContact OD1-N 2.95Å
442	G	67.8	Low	61.8	Low	20 Å²	20	90.7 Å²	90.7	21%	0.206	49%	0.492	C	S	.	.			trans	-76.5	139	-174	0	0	0	0	0	113.6	K478 C480	G442-K478 PolarHBondContact N-O 3.01Å; G442-C480 PolarHBondContact O-SG 3.34Å; G442-C480 VanDerWaalsContact O-SG 3.41Å
443	G	69.5	Low	62.1	Low	16 Å²	16	89.9 Å²	89.9	17%	0.165	48%	0.477	C	S	.	.			trans	-113.1	140	173	0	0	0	0	0	112.9	C468 N469 A470 P471	G443-C468 CarbonylContact O-C 3.58Å; G443-N469 PolarHBondContact O-N 2.9Å; G443-N469 VanDerWaalsContact O-N 3.15Å; G443-A470 CarbonylContact C-O 3.55Å; G443-A470 WeakPolarHBondContact CA-O 3.37Å; G443-A470 CarbonylContact O-C 3.56Å; G443-A470 PolarHBondContact O-N 3.01Å; G443-P471 PolarHBondContact N-O 2.87Å
444	W	74.3	Confident	62.1	Low	67 Å²	67	83.5 Å²	83.5	25%	0.254	46%	0.46	S	S	.	.	B	Isolated β-bridge	trans	-70.2	136.9	172	-77.1	117	0	0	0	111	R466 C468 C480 E481 G482	W444-R466 HydrophobicContact CD2-CG 4.21Å; W444-R466 HydrophobicContact CE3-CB 4.5Å; W444-R466 HydrophobicContact CE3-CG 3.66Å; W444-R466 HydrophobicContact CZ3-CG 4.17Å; W444-C468 HydrophobicContact CE3-CB 4.22Å; W444-C468 HydrophobicContact CH2-CB 4.49Å; W444-C468 HydrophobicContact CZ3-CB 4.08Å; W444-C480 HydrophobicContact CD2-CB 3.77Å; W444-C480 HydrophobicContact CE3-CB 4.38Å; W444-C480 HydrophobicContact CG-CB 4.11Å; W444-C480 HydrophobicContact CH2-CB 4.25Å; W444-C480 HydrophobicContact CZ2-CB 3.63Å; W444-C480 WeakPolarHBondContact CZ2-O 3.01Å; W444-E481 PolarHBondContact NE1-O 3.04Å; W444-G482 WeakPolarHBondContact CZ2-O 3.46Å
445	S	64.7	Low	61.9	Low	26 Å²	26	82.5 Å²	82.5	18%	0.182	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-59.4	161.8	163.6	77.4	0	0	0	0	111.3	R466 H467	S445-R466 WeakPolarHBondContact OG-CA 3.45Å; S445-R466 WeakPolarHBondContact OG-CB 3.3Å; S445-H467 PolarHBondContact N-O 2.77Å; S445-H467 PolarHBondContact OG-N 3.01Å
446	L	63.6	Low	61.6	Low	145 Å²	145	84 Å²	84	76%	0.759	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-53.5	149.7	159.2	-63	176.4	0	0	0	110.1
447	W	68.4	Low	61.6	Low	68 Å²	68	81 Å²	81	26%	0.258	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-70.1	146.5	174.3	-72.9	108.3	0	0	0	111.1	R464 I465 R466 E486	W447-R464 HydrophobicContact CD2-CG 4.12Å; W447-R464 HydrophobicContact CE3-CB 4.33Å; W447-R464 HydrophobicContact CE3-CG 3.71Å; W447-R464 HydrophobicContact CZ3-CG 4.21Å; W447-I465 VanDerWaalsContact CE3-C 3.44Å; W447-R466 HydrophobicContact CD2-CB 4.08Å; W447-R466 HydrophobicContact CD2-CG 3.94Å; W447-R466 VanDerWaalsContact CE2-CD 3.48Å; W447-R466 HydrophobicContact CE3-CB 3.77Å; W447-R466 HydrophobicContact CE3-CG 3.64Å; W447-R466 HydrophobicContact CH2-CG 3.85Å; W447-R466 HydrophobicContact CZ2-CG 4.15Å; W447-R466 VanDerWaalsContact CZ2-CZ 3.47Å; W447-R466 HydrophobicContact CZ3-CB 4.17Å; W447-R466 HydrophobicContact CZ3-CG 3.6Å; W447-E486 HydrophobicContact CH2-CB 3.57Å; W447-E486 HydrophobicContact CZ2-CB 4.05Å; W447-E486 HydrophobicContact CZ3-CB 3.9Å
448	S	55.6	Low	61.7	Low	42 Å²	42	72.9 Å²	72.9	29%	0.294	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-59.1	160.3	161.1	74.6	0	0	0	0	111.1	R464 I465	S448-R464 WeakPolarHBondContact O-CB 3.4Å; S448-R464 WeakPolarHBondContact OG-CA 3.36Å; S448-R464 WeakPolarHBondContact OG-CB 3.2Å; S448-I465 PolarHBondContact N-O 3.04Å; S448-I465 PolarHBondContact OG-N 2.71Å
449	P	59.1	Low	61.9	Low	113 Å²	113	74.9 Å²	74.9	73%	0.734	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-51.2	157.3	156.6	-24.3	34.9	0	0	0	111.6
450	W	67.6	Low	62.3	Low	76 Å²	76	67.5 Å²	67.5	29%	0.288	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-69.2	140.2	170.6	-71	108.5	0	0	0	110.7	I462 R464 E486 Q488	W450-I462 HydrophobicContact CB-CB 4.42Å; W450-I462 HydrophobicContact CB-CD1 4.13Å; W450-I462 HydrophobicContact CD2-CD1 3.81Å; W450-I462 HydrophobicContact CD2-CG1 4.11Å; W450-I462 HydrophobicContact CE3-CB 4.09Å; W450-I462 HydrophobicContact CE3-CD1 3.94Å; W450-I462 HydrophobicContact CE3-CG1 3.7Å; W450-I462 HydrophobicContact CG-CD1 3.92Å; W450-I462 HydrophobicContact CZ3-CG1 4.16Å; W450-R464 HydrophobicContact CD2-CB 4.14Å; W450-R464 HydrophobicContact CD2-CG 3.97Å; W450-R464 HydrophobicContact CE3-CB 3.91Å; W450-R464 HydrophobicContact CE3-CG 3.77Å; W450-R464 HydrophobicContact CH2-CG 3.89Å; W450-R464 HydrophobicContact CZ2-CG 4.09Å; W450-R464 HydrophobicContact CZ3-CB 4.31Å; W450-R464 HydrophobicContact CZ3-CG 3.73Å; W450-E486 HydrophobicContact CH2-CB 4.28Å; W450-E486 HydrophobicContact CH2-CG 3.91Å; W450-E486 WeakPolarHBondContact CZ3-O 3.3Å; W450-Q488 HydrophobicContact CH2-CB 4.01Å; W450-Q488 HydrophobicContact CH2-CG 3.64Å; W450-Q488 HydrophobicContact CZ2-CG 4.07Å; W450-Q488 HydrophobicContact CZ3-CB 4.22Å; W450-Q488 HydrophobicContact CZ3-CG 4.33Å
451	S	57.8	Low	62.3	Low	57 Å²	57	68.9 Å²	68.9	40%	0.399	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-64.2	162	169.5	73.7	0	0	0	0	112	I462 T463	S451-I462 WeakPolarHBondContact O-CB 3.49Å; S451-I462 WeakPolarHBondContact O-CG2 3.12Å; S451-T463 WeakPolarHBondContact CB-O 3.47Å; S451-T463 PolarHBondContact N-O 2.93Å; S451-T463 PolarHBondContact OG-N 2.97Å; S451-T463 PolarHBondContact OG-O 2.77Å
452	S	57.4	Low	62	Low	109 Å²	109	66.7 Å²	66.7	76%	0.762	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-52.7	156	159.7	-45.8	0	0	0	0	111.6	S454	S452-S454 PolarHBondContact O-N 2.72Å
453	C	66.7	Low	61.4	Low	42 Å²	42	67.2 Å²	67.2	28%	0.284	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-62.3	133.8	178.2	-167	0	0	0	0	111	V455 I462 C490	C453-V455 PolarHBondContact O-N 2.7Å; C453-I462 HydrophobicContact CB-CG2 4.35Å; C453-C490 WeakPolarHBondContact CA-SG 3.32Å; C453-C490 HydrophobicContact CB-CB 3.95Å; C453-C490 WeakPolarHBondContact CB-SG 3.48Å; C453-C490 WeakPolarHBondContact SG-CB 3.49Å; C453-C490 CovalentContact SG-SG 2.03Å; C453-C490 PolarHBondContact SG-SG 2.76Å
454	S	57.6	Low	61.2	Low	84 Å²	84	69.4 Å²	69.4	59%	0.587	39%	0.393	S	S	*	.	S	Bend	trans	-68.5	-4.9	-173.9	72	0	0	0	0	115.2	S452 Q461	S452-S454 PolarHBondContact O-N 2.72Å; S454-Q461 WeakPolarHBondContact CB-O 3.41Å; S454-Q461 PolarHBondContact N-O 3.32Å; S454-Q461 PolarHBondContact OG-N 3.38Å; S454-Q461 PolarHBondContact OG-O 3.16Å
455	V	52.8	Low	60.6	Low	47 Å²	47	69.1 Å²	69.1	29%	0.285	40%	0.396	S	S	.	.			trans	-133.6	149.4	172.8	-48.3	0	0	0	0	109.8	C453 C457 G458	C453-V455 PolarHBondContact O-N 2.7Å; V455-C457 WeakPolarHBondContact CG2-O 3.4Å; V455-G458 WeakPolarHBondContact CG2-O 3.04Å
456	T	52.1	Low	60.8	Low	133 Å²	133	70.3 Å²	70.3	82%	0.816	40%	0.397	S	S	*	.	S	Bend	trans	-95.1	-11.5	175.6	51.9	0	0	0	0	113.2	A492	T456-A492 WeakPolarHBondContact O-CB 3.31Å
457	C	53.2	Low	60.8	Low	41 Å²	41	68.5 Å²	68.5	28%	0.277	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-148.1	143.2	173.9	55.1	0	0	0	0	109.9	V455 K493	V455-C457 WeakPolarHBondContact CG2-O 3.4Å; C457-K493 CarbonylContact C-O 3.52Å; C457-K493 WeakPolarHBondContact CA-O 3.39Å; C457-K493 WeakPolarHBondContact CB-O 3.4Å
458	G	62.6	Low	60.7	Low	21 Å²	21	66.7 Å²	66.7	22%	0.216	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	81	-163.7	-172.8	0	0	0	0	0	114.3	V455 A492 K493	V455-G458 WeakPolarHBondContact CG2-O 3.04Å; G458-A492 PolarHBondContact N-O 2.76Å; G458-A492 PolarHBondContact O-N 3.19Å; G458-K493 PolarHBondContact N-O 3.4Å
459	E	62.7	Low	61.1	Low	151 Å²	151	66.8 Å²	66.8	71%	0.706	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	136.6	175	-53	-130.8	114.5	0	0	111	T491	E459-T491 HydrophobicContact CG-CG2 4.12Å
460	G	65	Low	61.2	Low	9 Å²	9	63 Å²	63	9%	0.093	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	-164.6	177.1	0	0	0	0	0	112.1	S489 C490	G460-S489 CarbonylContact O-C 3.56Å; G460-S489 WeakPolarHBondContact O-CA 3.32Å; G460-C490 PolarHBondContact N-O 3.25Å; G460-C490 PolarHBondContact O-N 3.24Å; G460-C490 VanDerWaalsContact O-O 3.13Å
461	Q	61.4	Low	60.8	Low	100 Å²	100	61 Å²	61	47%	0.467	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	143.7	-177.2	-64.9	-179.4	-17.6	0	0	113.3	S454 T487 Q488 C490	S454-Q461 WeakPolarHBondContact CB-O 3.41Å; S454-Q461 PolarHBondContact N-O 3.32Å; S454-Q461 PolarHBondContact OG-N 3.38Å; S454-Q461 PolarHBondContact OG-O 3.16Å; Q461-T487 HydrophobicContact CB-CG2 3.71Å; Q461-T487 HydrophobicContact CG-CG2 4.2Å; Q461-Q488 CarbonylContact C-O 3.52Å; Q461-Q488 WeakPolarHBondContact CA-O 3.05Å; Q461-Q488 WeakPolarHBondContact CB-O 3.3Å; Q461-C490 VanDerWaalsContact CA-SG 3.52Å; Q461-C490 PolarHBondContact N-SG 3.02Å
462	I	62	Low	60.9	Low	34 Å²	34	61.9 Å²	61.9	17%	0.174	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	147.6	168.1	57.3	176.6	0	0	0	109.6	W450 S451 C453 T487 Q488 C490	W450-I462 HydrophobicContact CB-CB 4.42Å; W450-I462 HydrophobicContact CB-CD1 4.13Å; W450-I462 HydrophobicContact CD2-CD1 3.81Å; W450-I462 HydrophobicContact CD2-CG1 4.11Å; W450-I462 HydrophobicContact CE3-CB 4.09Å; W450-I462 HydrophobicContact CE3-CD1 3.94Å; W450-I462 HydrophobicContact CE3-CG1 3.7Å; W450-I462 HydrophobicContact CG-CD1 3.92Å; W450-I462 HydrophobicContact CZ3-CG1 4.16Å; S451-I462 WeakPolarHBondContact O-CB 3.49Å; S451-I462 WeakPolarHBondContact O-CG2 3.12Å; C453-I462 HydrophobicContact CB-CG2 4.35Å; I462-T487 CarbonylContact O-C 3.56Å; I462-T487 VanDerWaalsContact O-CA 3.27Å; I462-T487 WeakPolarHBondContact O-CA 3.46Å; I462-T487 WeakPolarHBondContact O-CG2 3.45Å; I462-Q488 HydrophobicContact CD1-CB 4.3Å; I462-Q488 HydrophobicContact CG1-CB 3.92Å; I462-Q488 PolarHBondContact N-O 2.98Å; I462-Q488 PolarHBondContact O-N 3.04Å; I462-C490 HydrophobicContact CG2-CB 4.19Å
463	T	54.3	Low	61.3	Low	31 Å²	31	58.6 Å²	58.6	19%	0.19	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	141.7	-178	-65.2	0	0	0	0	112.1	S451 R485 E486 T487	S451-T463 WeakPolarHBondContact CB-O 3.47Å; S451-T463 PolarHBondContact N-O 2.93Å; S451-T463 PolarHBondContact OG-N 2.97Å; S451-T463 PolarHBondContact OG-O 2.77Å; T463-R485 HydrophobicContact CG2-CG 3.66Å; T463-E486 CarbonylContact C-O 3.5Å; T463-E486 WeakPolarHBondContact CA-O 3.38Å; T463-E486 WeakPolarHBondContact CG2-O 3.43Å; T463-T487 WeakPolarHBondContact OG1-CG2 3.38Å; T463-T487 PolarHBondContact OG1-OG1 3.18Å
464	R	66.6	Low	61	Low	61 Å²	61	62 Å²	62	23%	0.23	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	159.2	170.6	64.7	-178.7	-177.6	-170	-5.8	111.9	W447 S448 W450 R485 E486	W447-R464 HydrophobicContact CD2-CG 4.12Å; W447-R464 HydrophobicContact CE3-CB 4.33Å; W447-R464 HydrophobicContact CE3-CG 3.71Å; W447-R464 HydrophobicContact CZ3-CG 4.21Å; S448-R464 WeakPolarHBondContact O-CB 3.4Å; S448-R464 WeakPolarHBondContact OG-CA 3.36Å; S448-R464 WeakPolarHBondContact OG-CB 3.2Å; W450-R464 HydrophobicContact CD2-CB 4.14Å; W450-R464 HydrophobicContact CD2-CG 3.97Å; W450-R464 HydrophobicContact CE3-CB 3.91Å; W450-R464 HydrophobicContact CE3-CG 3.77Å; W450-R464 HydrophobicContact CH2-CG 3.89Å; W450-R464 HydrophobicContact CZ2-CG 4.09Å; W450-R464 HydrophobicContact CZ3-CB 4.31Å; W450-R464 HydrophobicContact CZ3-CG 3.73Å; R464-R485 WeakPolarHBondContact O-CA 3.31Å; R464-E486 HydrophobicContact CG-CB 4.11Å; R464-E486 IonicContact CZ-OE2 2.77Å; R464-E486 PolarHBondContact N-O 2.86Å; R464-E486 IonicContact NE-OE2 3.82Å; R464-E486 PolarHBondContact NE-OE2 3.27Å; R464-E486 IonicContact NH2-OE1 2.7Å; R464-E486 IonicContact NH2-OE2 2.7Å; R464-E486 PolarHBondContact NH2-OE2 3.16Å; R464-E486 PolarHBondContact O-N 2.04Å
465	I	61.5	Low	61	Low	61 Å²	61	64 Å²	64	31%	0.313	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	154.3	-174.7	51.9	172.8	0	0	0	112.9	W447 S448 G484 R485	W447-I465 VanDerWaalsContact CE3-C 3.44Å; S448-I465 PolarHBondContact N-O 3.04Å; S448-I465 PolarHBondContact OG-N 2.71Å; I465-G484 CarbonylContact C-O 3.57Å; I465-G484 VanDerWaalsContact CA-O 3.27Å; I465-G484 WeakPolarHBondContact CA-O 3.45Å; I465-R485 HydrophobicContact CG2-CB 4.02Å; I465-R485 HydrophobicContact CG2-CG 3.9Å
466	R	67.9	Low	61.3	Low	52 Å²	52	64.6 Å²	64.6	20%	0.196	36%	0.363	C	S	.	.			trans	-149.4	158.4	174.7	65.3	179	177.6	174.8	-1.7	110.2	W444 S445 W447 S483 G484	W444-R466 HydrophobicContact CD2-CG 4.21Å; W444-R466 HydrophobicContact CE3-CB 4.5Å; W444-R466 HydrophobicContact CE3-CG 3.66Å; W444-R466 HydrophobicContact CZ3-CG 4.17Å; S445-R466 WeakPolarHBondContact OG-CA 3.45Å; S445-R466 WeakPolarHBondContact OG-CB 3.3Å; W447-R466 HydrophobicContact CD2-CB 4.08Å; W447-R466 HydrophobicContact CD2-CG 3.94Å; W447-R466 VanDerWaalsContact CE2-CD 3.48Å; W447-R466 HydrophobicContact CE3-CB 3.77Å; W447-R466 HydrophobicContact CE3-CG 3.64Å; W447-R466 HydrophobicContact CH2-CG 3.85Å; W447-R466 HydrophobicContact CZ2-CG 4.15Å; W447-R466 VanDerWaalsContact CZ2-CZ 3.47Å; W447-R466 HydrophobicContact CZ3-CB 4.17Å; W447-R466 HydrophobicContact CZ3-CG 3.6Å; R466-S483 PolarHBondContact NE-O 3.22Å; R466-S483 VanDerWaalsContact NE-O 3.07Å; R466-S483 PolarHBondContact NH2-O 3.27Å; R466-S483 VanDerWaalsContact NH2-O 3.13Å; R466-G484 PolarHBondContact N-O 3.17Å; R466-G484 VanDerWaalsContact O-CA 3.26Å; R466-G484 WeakPolarHBondContact O-CA 3.12Å; R466-G484 VanDerWaalsContact O-O 3.1Å
467	H	65.1	Low	61.9	Low	106 Å²	106	59 Å²	59	49%	0.491	33%	0.333	S	S	.	.			trans	-123.6	149.1	-175.1	-63.1	-77.8	0	0	0	111.6	S445 N469	S445-H467 PolarHBondContact N-O 2.77Å; S445-H467 PolarHBondContact OG-N 3.01Å; H467-N469 VanDerWaalsContact C-N 3.3Å; H467-N469 PolarHBondContact O-N 3.43Å; H467-N469 PolarHBondContact O-OD1 3.43Å
468	C	66.9	Low	62.4	Low	30 Å²	30	64 Å²	64	20%	0.203	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-82.9	75.5	176.6	-174.5	0	0	0	0	109.7	G443 W444 D479 C480	G443-C468 CarbonylContact O-C 3.58Å; W444-C468 HydrophobicContact CE3-CB 4.22Å; W444-C468 HydrophobicContact CH2-CB 4.49Å; W444-C468 HydrophobicContact CZ3-CB 4.08Å; C468-D479 PolarHBondContact SG-OD1 2.8Å; C468-C480 VanDerWaalsContact CA-SG 3.56Å; C468-C480 HydrophobicContact CB-CB 3.69Å; C468-C480 WeakPolarHBondContact CB-SG 3.15Å; C468-C480 WeakPolarHBondContact SG-CB 3.29Å; C468-C480 PolarHBondContact SG-N 2.82Å; C468-C480 VanDerWaalsContact SG-N 3.41Å; C468-C480 CovalentContact SG-SG 2.03Å; C468-C480 PolarHBondContact SG-SG 2.88Å
469	N	62.1	Low	62.6	Low	44 Å²	44	68.7 Å²	68.7	24%	0.235	37%	0.37	C	S	.	.			trans	-146.7	14.1	-173.2	68.5	-14.2	0	0	0	114.9	G443 H467 V472	G443-N469 PolarHBondContact O-N 2.9Å; G443-N469 VanDerWaalsContact O-N 3.15Å; H467-N469 VanDerWaalsContact C-N 3.3Å; H467-N469 PolarHBondContact O-N 3.43Å; H467-N469 PolarHBondContact O-OD1 3.43Å; N469-V472 HydrophobicContact CB-CG2 3.96Å
470	A	61.7	Low	63.1	Low	34 Å²	34	62.3 Å²	62.3	28%	0.281	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.9	74.9	-177.3	0	0	0	0	0	111.5	T398 G443	T398-A470 HydrophobicContact CG2-CB 4.28Å; G443-A470 CarbonylContact C-O 3.55Å; G443-A470 WeakPolarHBondContact CA-O 3.37Å; G443-A470 CarbonylContact O-C 3.56Å; G443-A470 PolarHBondContact O-N 3.01Å
471	P	59.1	Low	63.1	Low	34 Å²	34	70.8 Å²	70.8	22%	0.221	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	cis	-83.4	164.7	-3.2	34.9	-37.3	0	0	0	113	Q440 G443	Q440-P471 HydrophobicContact CG-CB 4.38Å; Q440-P471 HydrophobicContact CG-CG 3.96Å; G443-P471 PolarHBondContact N-O 2.87Å
472	V	60.3	Low	63.4	Low	76 Å²	76	69 Å²	69	46%	0.461	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-71.7	135.1	168.6	-170.2	0	0	0	0	109.2	N469	N469-V472 HydrophobicContact CB-CG2 3.96Å
473	P	66.2	Low	63.3	Low	40 Å²	40	70.7 Å²	70.7	26%	0.26	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-63	135.9	177.5	21.8	-30.3	0	0	0	112.7	Q440 K478	Q440-P473 WeakPolarHBondContact O-CA 3.49Å; P473-K478 WeakPolarHBondContact CB-O 3.05Å
474	Q	60.8	Low	63.6	Low	112 Å²	112	70.3 Å²	70.3	52%	0.523	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-136.6	160.2	-178.4	-63.8	-169.1	30.5	0	0	112.5	Q440 G476 G477	Q440-Q474 PolarHBondContact O-N 2.65Å; Q474-G476 PolarHBondContact O-N 3.12Å; Q474-G476 VanDerWaalsContact O-N 3.16Å; Q474-G477 PolarHBondContact O-N 3.37Å
475	L	56.4	Low	63.6	Low	127 Å²	127	74.8 Å²	74.8	67%	0.665	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	37.4	178.6	-64.9	171.2	0	0	0	113.9	G477	L475-G477 VanDerWaalsContact C-N 3.35Å
476	G	59.1	Low	63.8	Low	59 Å²	59	74.7 Å²	74.7	61%	0.608	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	22.7	-178.7	0	0	0	0	0	114.1	R439 Q474	R439-G476 VanDerWaalsContact CZ-O 3.29Å; R439-G476 PolarHBondContact NE-O 2.91Å; R439-G476 PolarHBondContact NH2-O 3.48Å; Q474-G476 PolarHBondContact O-N 3.12Å; Q474-G476 VanDerWaalsContact O-N 3.16Å
477	G	64.8	Low	63.8	Low	17 Å²	17	75.2 Å²	75.2	18%	0.175	43%	0.429	C	S	.	.	P	Polyproline II helix	trans	-57.9	160	163.1	0	0	0	0	0	112.8	D441 Q474 L475	D441-G477 WeakPolarHBondContact OD1-CA 3.29Å; Q474-G477 PolarHBondContact O-N 3.37Å; L475-G477 VanDerWaalsContact C-N 3.35Å
478	K	63.3	Low	63.8	Low	145 Å²	145	74.8 Å²	74.8	63%	0.63	43%	0.427	S	S	*	.	P	Polyproline II helix	trans	-70.7	148	178	-66.4	-179.4	177.1	-177.9	0	111.7	D441 G442 P473	D441-K478 HydrophobicContact CB-CB 4.43Å; D441-K478 PolarHBondContact OD1-N 2.95Å; G442-K478 PolarHBondContact N-O 3.01Å; P473-K478 WeakPolarHBondContact CB-O 3.05Å
479	D	67.7	Low	63.3	Low	120 Å²	120	77.8 Å²	77.8	64%	0.642	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-75.1	161.4	168.4	-162.6	6.4	0	0	0	111.2	C468 E481	C468-D479 PolarHBondContact SG-OD1 2.8Å; D479-E481 PolarHBondContact O-N 3.03Å
480	C	72.8	Confident	63.2	Low	17 Å²	17	76.8 Å²	76.8	12%	0.115	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-73.6	119.3	-173.9	-58.8	0	0	0	0	112.5	G442 W444 C468	G442-C480 PolarHBondContact O-SG 3.34Å; G442-C480 VanDerWaalsContact O-SG 3.41Å; W444-C480 HydrophobicContact CD2-CB 3.77Å; W444-C480 HydrophobicContact CE3-CB 4.38Å; W444-C480 HydrophobicContact CG-CB 4.11Å; W444-C480 HydrophobicContact CH2-CB 4.25Å; W444-C480 HydrophobicContact CZ2-CB 3.63Å; W444-C480 WeakPolarHBondContact CZ2-O 3.01Å; C468-C480 VanDerWaalsContact CA-SG 3.56Å; C468-C480 HydrophobicContact CB-CB 3.69Å; C468-C480 WeakPolarHBondContact CB-SG 3.15Å; C468-C480 WeakPolarHBondContact SG-CB 3.29Å; C468-C480 PolarHBondContact SG-N 2.82Å; C468-C480 VanDerWaalsContact SG-N 3.41Å; C468-C480 CovalentContact SG-SG 2.03Å; C468-C480 PolarHBondContact SG-SG 2.88Å
481	E	66.1	Low	62.6	Low	187 Å²	187	80.1 Å²	80.1	87%	0.874	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-73.8	137.8	173.7	-69.7	-170.6	135.5	0	0	112.3	W444 D479	W444-E481 PolarHBondContact NE1-O 3.04Å; D479-E481 PolarHBondContact O-N 3.03Å
482	G	66	Low	62.5	Low	63 Å²	63	80.4 Å²	80.4	65%	0.649	47%	0.466	S	S	*	.	S	Bend	trans	116	-175.9	-178.9	0	0	0	0	0	113.3	W444	W444-G482 WeakPolarHBondContact CZ2-O 3.46Å
483	S	60.1	Low	62.1	Low	68 Å²	68	84.9 Å²	84.9	48%	0.476	48%	0.48	S	S	.	.			trans	-93.5	144.4	173.5	63.2	0	0	0	0	112.2	R466 R485	R466-S483 PolarHBondContact NE-O 3.22Å; R466-S483 VanDerWaalsContact NE-O 3.07Å; R466-S483 PolarHBondContact NH2-O 3.27Å; R466-S483 VanDerWaalsContact NH2-O 3.13Å; S483-R485 VanDerWaalsContact C-N 3.27Å; S483-R485 WeakPolarHBondContact CB-O 3.22Å; S483-R485 PolarHBondContact OG-O 3.12Å
484	G	62.3	Low	61.4	Low	24 Å²	24	87.3 Å²	87.3	25%	0.247	50%	0.496	C	S	.	.	S	Bend	trans	-86	8.5	167.6	0	0	0	0	0	113.9	I465 R466	I465-G484 CarbonylContact C-O 3.57Å; I465-G484 VanDerWaalsContact CA-O 3.27Å; I465-G484 WeakPolarHBondContact CA-O 3.45Å; R466-G484 PolarHBondContact N-O 3.17Å; R466-G484 VanDerWaalsContact O-CA 3.26Å; R466-G484 WeakPolarHBondContact O-CA 3.12Å; R466-G484 VanDerWaalsContact O-O 3.1Å
485	R	66.1	Low	60.8	Low	154 Å²	154	85.9 Å²	85.9	58%	0.581	50%	0.497	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-143.2	140	177.1	-176	173.5	-71.9	-116.3	-0.9	109.4	T463 R464 I465 S483	T463-R485 HydrophobicContact CG2-CG 3.66Å; R464-R485 WeakPolarHBondContact O-CA 3.31Å; I465-R485 HydrophobicContact CG2-CB 4.02Å; I465-R485 HydrophobicContact CG2-CG 3.9Å; S483-R485 VanDerWaalsContact C-N 3.27Å; S483-R485 WeakPolarHBondContact CB-O 3.22Å; S483-R485 PolarHBondContact OG-O 3.12Å
486	E	65.9	Low	60.7	Low	60 Å²	60	82.9 Å²	82.9	28%	0.28	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	142.6	177.9	-168.1	-173.7	179.3	0	0	109.1	W447 W450 T463 R464	W447-E486 HydrophobicContact CH2-CB 3.57Å; W447-E486 HydrophobicContact CZ2-CB 4.05Å; W447-E486 HydrophobicContact CZ3-CB 3.9Å; W450-E486 HydrophobicContact CH2-CB 4.28Å; W450-E486 HydrophobicContact CH2-CG 3.91Å; W450-E486 WeakPolarHBondContact CZ3-O 3.3Å; T463-E486 CarbonylContact C-O 3.5Å; T463-E486 WeakPolarHBondContact CA-O 3.38Å; T463-E486 WeakPolarHBondContact CG2-O 3.43Å; R464-E486 HydrophobicContact CG-CB 4.11Å; R464-E486 IonicContact CZ-OE2 2.77Å; R464-E486 PolarHBondContact N-O 2.86Å; R464-E486 IonicContact NE-OE2 3.82Å; R464-E486 PolarHBondContact NE-OE2 3.27Å; R464-E486 IonicContact NH2-OE1 2.7Å; R464-E486 IonicContact NH2-OE2 2.7Å; R464-E486 PolarHBondContact NH2-OE2 3.16Å; R464-E486 PolarHBondContact O-N 2.04Å
487	T	66.8	Low	60.6	Low	63 Å²	63	84.9 Å²	84.9	39%	0.387	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	133.5	-172.3	-62.3	0	0	0	0	109.7	Q461 I462 T463	Q461-T487 HydrophobicContact CB-CG2 3.71Å; Q461-T487 HydrophobicContact CG-CG2 4.2Å; I462-T487 CarbonylContact O-C 3.56Å; I462-T487 VanDerWaalsContact O-CA 3.27Å; I462-T487 WeakPolarHBondContact O-CA 3.46Å; I462-T487 WeakPolarHBondContact O-CG2 3.45Å; T463-T487 WeakPolarHBondContact OG1-CG2 3.38Å; T463-T487 PolarHBondContact OG1-OG1 3.18Å
488	Q	64.3	Low	60.3	Low	97 Å²	97	88 Å²	88	45%	0.453	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	158	179.4	-80.9	-175.6	-12.7	0	0	111	W450 Q461 I462	W450-Q488 HydrophobicContact CH2-CB 4.01Å; W450-Q488 HydrophobicContact CH2-CG 3.64Å; W450-Q488 HydrophobicContact CZ2-CG 4.07Å; W450-Q488 HydrophobicContact CZ3-CB 4.22Å; W450-Q488 HydrophobicContact CZ3-CG 4.33Å; Q461-Q488 CarbonylContact C-O 3.52Å; Q461-Q488 WeakPolarHBondContact CA-O 3.05Å; Q461-Q488 WeakPolarHBondContact CB-O 3.3Å; I462-Q488 HydrophobicContact CD1-CB 4.3Å; I462-Q488 HydrophobicContact CG1-CB 3.92Å; I462-Q488 PolarHBondContact N-O 2.98Å; I462-Q488 PolarHBondContact O-N 3.04Å
489	S	56.5	Low	60.3	Low	92 Å²	92	82 Å²	82	64%	0.643	47%	0.473	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	152.2	179.8	-54.5	0	0	0	0	113.4	G460	G460-S489 CarbonylContact O-C 3.56Å; G460-S489 WeakPolarHBondContact O-CA 3.32Å
490	C	60.1	Low	60	Low	23 Å²	23	77.2 Å²	77.2	16%	0.155	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	158	176.5	49.8	0	0	0	0	110.2	C453 G460 Q461 I462	C453-C490 WeakPolarHBondContact CA-SG 3.32Å; C453-C490 HydrophobicContact CB-CB 3.95Å; C453-C490 WeakPolarHBondContact CB-SG 3.48Å; C453-C490 WeakPolarHBondContact SG-CB 3.49Å; C453-C490 CovalentContact SG-SG 2.03Å; C453-C490 PolarHBondContact SG-SG 2.76Å; G460-C490 PolarHBondContact N-O 3.25Å; G460-C490 PolarHBondContact O-N 3.24Å; G460-C490 VanDerWaalsContact O-O 3.13Å; Q461-C490 VanDerWaalsContact CA-SG 3.52Å; Q461-C490 PolarHBondContact N-SG 3.02Å; I462-C490 HydrophobicContact CG2-CB 4.19Å
491	T	50.5	Low	60	Low	105 Å²	105	79.9 Å²	79.9	64%	0.644	46%	0.46	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133	133.1	-170.9	-33.9	0	0	0	0	112.2	E459	E459-T491 HydrophobicContact CG-CG2 4.12Å
492	A	56.3	Low	60.1	Low	39 Å²	39	71.6 Å²	71.6	32%	0.322	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	-180	-177.8	0	0	0	0	0	112.3	T456 G458	T456-A492 WeakPolarHBondContact O-CB 3.31Å; G458-A492 PolarHBondContact N-O 2.76Å; G458-A492 PolarHBondContact O-N 3.19Å
493	K	52.8	Low	60	Low	170 Å²	170	73.8 Å²	73.8	74%	0.739	43%	0.427	S	S	*	.	B	Isolated β-bridge	trans	-64.4	163.1	-168.9	-64.3	178.2	-178.1	175.5	0	113.7	C457 G458	C457-K493 CarbonylContact C-O 3.52Å; C457-K493 WeakPolarHBondContact CA-O 3.39Å; C457-K493 WeakPolarHBondContact CB-O 3.4Å; G458-K493 PolarHBondContact N-O 3.4Å
494	P	51.6	Low	60.7	Low	92 Å²	92	75.3 Å²	75.3	60%	0.597	42%	0.423	S	S	*	.			trans	-65.9	166.7	-175.5	-23.4	35.7	0	0	0	116.2
495	C	48.3	Very low	61	Low	81 Å²	81	76.3 Å²	76.3	55%	0.547	43%	0.426	S	S	.	.			trans	-111.1	156.4	-167.5	-53.8	0	0	0	0	116.3
496	P	53.8	Low	61	Low	64 Å²	64	74.3 Å²	74.3	42%	0.416	43%	0.433	S	S	.	.	B	Isolated β-bridge	trans	-78.3	170.6	-160	1.4	-1.5	0	0	0	131.1	Q531 Y532 G533 G534	P496-Q531 CarbonylContact C-O 3.52Å; P496-Q531 WeakPolarHBondContact CA-O 3.45Å; P496-Q531 WeakPolarHBondContact CB-O 3.44Å; P496-Y532 WeakPolarHBondContact CD-O 3.18Å; P496-Y532 WeakPolarHBondContact CG-O 3.47Å; P496-Y532 VanDerWaalsContact N-C 3.3Å; P496-G533 VanDerWaalsContact C-C 3.48Å; P496-G533 WeakPolarHBondContact CB-O 3.21Å; P496-G533 WeakPolarHBondContact CG-O 3.31Å; P496-G533 CarbonylContact O-C 3.35Å; P496-G533 WeakPolarHBondContact O-CA 3.34Å; P496-G534 VanDerWaalsContact CA-N 3.33Å; P496-G534 PolarHBondContact O-N 2.86Å
497	I	57.4	Low	61.5	Low	102 Å²	102	75.9 Å²	75.9	52%	0.523	44%	0.436	S	S	.	.			trans	-107.2	147.9	171	-56.9	167.6	0	0	0	109.5	P530 Q531 G534	I497-P530 CarbonylContact O-C 3.59Å; I497-P530 WeakPolarHBondContact O-CA 3.42Å; I497-P530 WeakPolarHBondContact O-CB 3.08Å; I497-Q531 PolarHBondContact N-O 2.92Å; I497-Q531 PolarHBondContact O-N 3.5Å; I497-G534 CarbonylContact O-C 3.4Å
498	D	58.3	Low	61.6	Low	81 Å²	81	75.5 Å²	75.5	43%	0.433	44%	0.439	S	S	.	.			trans	-78.9	161.6	178.7	-48	-97.9	0	0	0	114.6	G534 K535	D498-G534 WeakPolarHBondContact OD1-CA 3.45Å; D498-K535 WeakPolarHBondContact OD1-CB 3.41Å; D498-K535 VanDerWaalsContact OD1-CD 3.32Å; D498-K535 WeakPolarHBondContact OD1-CD 3.39Å; D498-K535 WeakPolarHBondContact OD1-CG 3.37Å; D498-K535 PolarHBondContact OD1-N 3.26Å; D498-K535 IonicContact OD1-NZ 2.7Å
499	G	62.3	Low	61.6	Low	21 Å²	21	77.1 Å²	77.1	22%	0.216	46%	0.456	C	S	.	.			trans	-138.5	169.5	-174.6	0	0	0	0	0	118.3	P528 K535 C537	G499-P528 CarbonylContact C-O 3.39Å; G499-P528 WeakPolarHBondContact CA-O 3.47Å; G499-K535 PolarHBondContact N-O 2.81Å; G499-C537 VanDerWaalsContact C-SG 3.57Å
500	G	62.8	Low	62.4	Low	19 Å²	19	74.2 Å²	74.2	20%	0.196	44%	0.435	C	S	.	.			trans	-132.8	155.5	-175.3	0	0	0	0	0	114.8	C525 N526 S527 P528 C537	G500-C525 CarbonylContact O-C 3.37Å; G500-N526 PolarHBondContact O-N 3.33Å; G500-N526 VanDerWaalsContact O-N 3.13Å; G500-S527 CarbonylContact C-O 3.58Å; G500-S527 WeakPolarHBondContact CA-O 3.48Å; G500-S527 CarbonylContact O-C 3.5Å; G500-S527 PolarHBondContact O-N 2.83Å; G500-P528 PolarHBondContact N-O 2.87Å; G500-C537 WeakPolarHBondContact CA-SG 3.39Å; G500-C537 PolarHBondContact N-SG 3.24Å; G500-C537 VanDerWaalsContact N-SG 3.39Å; G500-C537 PolarHBondContact O-SG 2.9Å; G500-C537 VanDerWaalsContact O-SG 3.35Å
501	W	72	Confident	63	Low	73 Å²	73	77.6 Å²	77.6	28%	0.277	46%	0.459	S	S	.	.			trans	-75.1	135.2	-172.6	-75.9	123.9	0	0	0	113.2	R523 C525 C537 I538 G539 A541	W501-R523 HydrophobicContact CD2-CG 4.42Å; W501-R523 HydrophobicContact CE3-CG 3.83Å; W501-R523 HydrophobicContact CZ3-CG 3.95Å; W501-R523 WeakPolarHBondContact CZ3-O 3.4Å; W501-C525 HydrophobicContact CE3-CB 4.01Å; W501-C525 HydrophobicContact CH2-CB 4.44Å; W501-C525 HydrophobicContact CZ3-CB 3.83Å; W501-C537 HydrophobicContact CD2-CB 3.4Å; W501-C537 VanDerWaalsContact CD2-CB 3.4Å; W501-C537 HydrophobicContact CE3-CB 3.95Å; W501-C537 HydrophobicContact CG-CB 3.77Å; W501-C537 HydrophobicContact CH2-CB 4Å; W501-C537 HydrophobicContact CZ2-CB 3.49Å; W501-C537 VanDerWaalsContact CZ2-CB 3.49Å; W501-C537 HydrophobicContact CZ3-CB 4.22Å; W501-C537 PolarHBondContact N-SG 2.97Å; W501-C537 VanDerWaalsContact N-SG 3.39Å; W501-I538 PolarHBondContact NE1-O 3.09Å; W501-G539 VanDerWaalsContact CZ2-O 3.27Å; W501-G539 WeakPolarHBondContact CZ2-O 3.42Å; W501-A541 HydrophobicContact CH2-CB 3.75Å; W501-A541 HydrophobicContact CZ3-CB 4.24Å
502	G	67.1	Low	63.3	Low	12 Å²	12	74 Å²	74	12%	0.124	44%	0.44	C	S	.	.			trans	-86.8	-176.3	161.4	0	0	0	0	0	113.2	E524	G502-E524 PolarHBondContact N-O 3.22Å
503	P	64.9	Low	63.6	Low	110 Å²	110	78.5 Å²	78.5	71%	0.714	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-70.2	164.6	177.8	30.2	-35.3	0	0	0	113.3
504	W	75.5	Confident	64.1	Low	100 Å²	100	72.1 Å²	72.1	38%	0.379	44%	0.44	S	S	.	.	B	Isolated β-bridge	trans	-77.9	147.9	174.3	-72.4	100	0	0	0	112.7	R521 S522 R523 A541 D543	W504-R521 HydrophobicContact CE3-CG 4.09Å; W504-R521 HydrophobicContact CZ3-CG 4.34Å; W504-S522 CarbonylContact C-O 3.6Å; W504-S522 WeakPolarHBondContact CA-O 3.43Å; W504-R523 HydrophobicContact CD2-CB 3.74Å; W504-R523 HydrophobicContact CD2-CG 3.85Å; W504-R523 HydrophobicContact CE3-CB 3.79Å; W504-R523 HydrophobicContact CE3-CG 3.86Å; W504-R523 HydrophobicContact CG-CB 4.07Å; W504-R523 HydrophobicContact CH2-CG 3.94Å; W504-R523 HydrophobicContact CZ2-CG 3.96Å; W504-R523 VanDerWaalsContact CZ2-CZ 3.42Å; W504-R523 VanDerWaalsContact CZ2-NE 3.28Å; W504-R523 HydrophobicContact CZ3-CB 4.3Å; W504-R523 HydrophobicContact CZ3-CG 3.88Å; W504-A541 WeakPolarHBondContact CZ3-O 3.2Å; W504-D543 HydrophobicContact CH2-CB 4.01Å; W504-D543 HydrophobicContact CZ3-CB 4.01Å
505	S	68.2	Low	64.7	Low	44 Å²	44	70 Å²	70	31%	0.308	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-72.3	166	170.4	76	0	0	0	0	112.5	S522	S505-S522 WeakPolarHBondContact CB-O 3.34Å; S505-S522 PolarHBondContact N-O 2.75Å; S505-S522 PolarHBondContact OG-N 3.46Å; S505-S522 PolarHBondContact OG-O 2.82Å
506	P	66.7	Low	65.7	Low	113 Å²	113	68 Å²	68	73%	0.734	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-56.5	163.3	154.3	-20.6	33.9	0	0	0	111.9
507	W	74.6	Confident	66.6	Low	93 Å²	93	65.3 Å²	65.3	35%	0.352	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-72.6	139	169.5	-69.6	95.6	0	0	0	111	K519 R521 D543 D545	W507-K519 HydrophobicContact CE3-CD 4.48Å; W507-K519 HydrophobicContact CE3-CG 3.99Å; W507-K519 HydrophobicContact CZ3-CG 4.36Å; W507-K519 WeakPolarHBondContact CZ3-O 3.32Å; W507-R521 HydrophobicContact CD2-CB 3.98Å; W507-R521 HydrophobicContact CD2-CG 3.9Å; W507-R521 HydrophobicContact CE3-CB 4.02Å; W507-R521 HydrophobicContact CE3-CG 3.96Å; W507-R521 HydrophobicContact CG-CB 4.28Å; W507-R521 HydrophobicContact CH2-CG 4.09Å; W507-R521 HydrophobicContact CZ2-CG 4.05Å; W507-R521 VanDerWaalsContact CZ2-CZ 3.49Å; W507-R521 HydrophobicContact CZ3-CG 4.05Å; W507-D543 HydrophobicContact CH2-CB 4.29Å; W507-D543 WeakPolarHBondContact CZ3-O 3.38Å; W507-D545 HydrophobicContact CH2-CB 4.03Å; W507-D545 HydrophobicContact CZ3-CB 4.19Å
508	A	69.3	Low	67.2	Low	54 Å²	54	65.3 Å²	65.3	45%	0.446	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-72.2	168.9	170.8	0	0	0	0	0	111.9	S520	A508-S520 WeakPolarHBondContact CB-O 3.32Å; A508-S520 PolarHBondContact N-O 2.58Å
509	T	65.8	Low	68	Low	132 Å²	132	64.2 Å²	64.2	81%	0.81	40%	0.403	S	S	*	.	P	Polyproline II helix	trans	-63.6	159.4	169.6	38.9	0	0	0	0	111.9
510	C	73.4	Confident	68.4	Low	31 Å²	31	65.9 Å²	65.9	21%	0.209	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-70.2	141.1	179.9	-161.2	0	0	0	0	111.2	A512 G517 C547 N548	C510-A512 PolarHBondContact O-N 2.95Å; C510-G517 VanDerWaalsContact SG-C 3.53Å; C510-G517 VanDerWaalsContact SG-CA 3.58Å; C510-C547 HydrophobicContact CB-CB 3.95Å; C510-C547 WeakPolarHBondContact CB-SG 3.36Å; C510-C547 WeakPolarHBondContact SG-CB 3.07Å; C510-C547 CovalentContact SG-SG 2.03Å; C510-C547 PolarHBondContact SG-SG 3.25Å; C510-N548 WeakPolarHBondContact CB-ND2 3.08Å
511	S	71	Confident	68.9	Low	93 Å²	93	68.9 Å²	68.9	65%	0.65	42%	0.417	S	S	*	.	S	Bend	trans	-68.2	-10	-177.6	69.6	0	0	0	0	115.5	I518	S511-I518 VanDerWaalsContact CB-O 3.32Å; S511-I518 WeakPolarHBondContact CB-O 3.35Å; S511-I518 PolarHBondContact N-O 3.12Å; S511-I518 PolarHBondContact OG-N 2.7Å; S511-I518 PolarHBondContact OG-O 3.28Å
512	A	57.5	Low	68.7	Low	30 Å²	30	67.8 Å²	67.8	25%	0.248	42%	0.42	C	S	.	.			trans	-145	146.2	177.8	0	0	0	0	0	109.8	C510 C514 N548	C510-A512 PolarHBondContact O-N 2.95Å; A512-C514 WeakPolarHBondContact CB-O 3.29Å; A512-N548 PolarHBondContact O-ND2 3.16Å
513	T	62.2	Low	68.7	Low	134 Å²	134	70.1 Å²	70.1	82%	0.822	43%	0.425	S	S	*	.	S	Bend	trans	-81.8	-35.2	178.4	42	0	0	0	0	112.5
514	C	63.5	Low	68.6	Low	36 Å²	36	70.8 Å²	70.8	24%	0.243	42%	0.419	C	S	.	.	S	Bend	trans	-140	175.3	172.8	52.1	0	0	0	0	109.5	A512 G516 E550 C552	A512-C514 WeakPolarHBondContact CB-O 3.29Å; C514-G516 VanDerWaalsContact C-N 3.32Å; C514-G516 PolarHBondContact O-N 3.37Å; C514-E550 CarbonylContact C-O 3.5Å; C514-E550 WeakPolarHBondContact CA-O 3.33Å; C514-E550 VanDerWaalsContact CB-O 3.3Å; C514-E550 WeakPolarHBondContact CB-O 3.49Å; C514-C552 HydrophobicContact CB-CB 4.13Å; C514-C552 WeakPolarHBondContact CB-SG 3.46Å; C514-C552 VanDerWaalsContact SG-CA 3.57Å; C514-C552 WeakPolarHBondContact SG-CB 3.27Å; C514-C552 CovalentContact SG-SG 2.04Å; C514-C552 PolarHBondContact SG-SG 3.32Å
515	G	63.8	Low	68.1	Low	48 Å²	48	67.2 Å²	67.2	50%	0.495	41%	0.409	S	S	.	.	S	Bend	trans	78	1.9	176.5	0	0	0	0	0	116.4	E550	G515-E550 PolarHBondContact N-O 3.32Å
516	G	70.8	Confident	67.9	Low	39 Å²	39	68.1 Å²	68.1	40%	0.402	41%	0.41	S	S	.	.			trans	92.7	118.7	-175.9	0	0	0	0	0	112.9	C514 N548	C514-G516 VanDerWaalsContact C-N 3.32Å; C514-G516 PolarHBondContact O-N 3.37Å; G516-N548 WeakPolarHBondContact CA-O 3.18Å; G516-N548 PolarHBondContact N-O 3.33Å
517	G	71.1	Confident	67.7	Low	6 Å²	6	66.1 Å²	66.1	6%	0.062	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	176.2	177.6	0	0	0	0	0	113.9	C510 C547	C510-G517 VanDerWaalsContact SG-C 3.53Å; C510-G517 VanDerWaalsContact SG-CA 3.58Å; G517-C547 PolarHBondContact N-O 3.49Å; G517-C547 PolarHBondContact O-N 2.04Å
518	I	71.2	Confident	66.6	Low	102 Å²	102	66 Å²	66	52%	0.523	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.2	177.9	-60.1	175.4	0	0	0	108.7	S511 D545 C547	S511-I518 VanDerWaalsContact CB-O 3.32Å; S511-I518 WeakPolarHBondContact CB-O 3.35Å; S511-I518 PolarHBondContact N-O 3.12Å; S511-I518 PolarHBondContact OG-N 2.7Å; S511-I518 PolarHBondContact OG-O 3.28Å; I518-D545 WeakPolarHBondContact CA-O 3.46Å; I518-C547 VanDerWaalsContact C-SG 3.56Å
519	K	73.8	Confident	66.1	Low	58 Å²	58	68.8 Å²	68.8	25%	0.252	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	147.9	168.9	62.6	-173.6	-178.5	-158	0	108.8	W507 S544 D545 C547	W507-K519 HydrophobicContact CE3-CD 4.48Å; W507-K519 HydrophobicContact CE3-CG 3.99Å; W507-K519 HydrophobicContact CZ3-CG 4.36Å; W507-K519 WeakPolarHBondContact CZ3-O 3.32Å; K519-S544 WeakPolarHBondContact O-CA 3.14Å; K519-D545 WeakPolarHBondContact CE-OD2 3.49Å; K519-D545 HydrophobicContact CG-CB 4.4Å; K519-D545 WeakPolarHBondContact CG-O 3.27Å; K519-D545 PolarHBondContact N-O 3.26Å; K519-D545 IonicContact NZ-OD2 2.72Å; K519-D545 PolarHBondContact NZ-OD2 3.18Å; K519-D545 PolarHBondContact O-N 3.45Å; K519-C547 PolarHBondContact N-SG 3.17Å; K519-C547 VanDerWaalsContact N-SG 3.45Å
520	S	70.5	Confident	65.6	Low	56 Å²	56	64.2 Å²	64.2	39%	0.392	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	158.9	-178.3	60.8	0	0	0	0	112.7	A508 D543	A508-S520 WeakPolarHBondContact CB-O 3.32Å; A508-S520 PolarHBondContact N-O 2.58Å; S520-D543 CarbonylContact C-O 3.59Å; S520-D543 WeakPolarHBondContact CA-O 3.44Å
521	R	73.9	Confident	64.8	Low	82 Å²	82	67 Å²	67	31%	0.309	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	153.9	166.5	61.8	177.1	169.1	-171.8	-6	109.6	W504 W507 T542 D543	W504-R521 HydrophobicContact CE3-CG 4.09Å; W504-R521 HydrophobicContact CZ3-CG 4.34Å; W507-R521 HydrophobicContact CD2-CB 3.98Å; W507-R521 HydrophobicContact CD2-CG 3.9Å; W507-R521 HydrophobicContact CE3-CB 4.02Å; W507-R521 HydrophobicContact CE3-CG 3.96Å; W507-R521 HydrophobicContact CG-CB 4.28Å; W507-R521 HydrophobicContact CH2-CG 4.09Å; W507-R521 HydrophobicContact CZ2-CG 4.05Å; W507-R521 VanDerWaalsContact CZ2-CZ 3.49Å; W507-R521 HydrophobicContact CZ3-CG 4.05Å; R521-T542 CarbonylContact O-C 3.52Å; R521-T542 VanDerWaalsContact O-CA 3.27Å; R521-T542 WeakPolarHBondContact O-CA 3.45Å; R521-D543 HydrophobicContact CG-CB 3.85Å; R521-D543 IonicContact CZ-OD2 3.16Å; R521-D543 PolarHBondContact N-O 2.78Å; R521-D543 IonicContact NE-OD2 2.81Å; R521-D543 PolarHBondContact NE-OD2 2.84Å; R521-D543 IonicContact NH2-OD2 2.68Å; R521-D543 PolarHBondContact NH2-OD2 3.13Å; R521-D543 PolarHBondContact O-N 2.8Å
522	S	67.2	Low	64.2	Low	50 Å²	50	70.6 Å²	70.6	35%	0.35	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	159.8	-176.5	59.9	0	0	0	0	112.2	W504 S505 A541	W504-S522 CarbonylContact C-O 3.6Å; W504-S522 WeakPolarHBondContact CA-O 3.43Å; S505-S522 WeakPolarHBondContact CB-O 3.34Å; S505-S522 PolarHBondContact N-O 2.75Å; S505-S522 PolarHBondContact OG-N 3.46Å; S505-S522 PolarHBondContact OG-O 2.82Å; S522-A541 CarbonylContact C-O 3.6Å; S522-A541 VanDerWaalsContact CA-O 3.28Å; S522-A541 WeakPolarHBondContact CA-O 3.33Å
523	R	68.6	Low	64.1	Low	62 Å²	62	71 Å²	71	23%	0.234	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-129.6	146.2	164.2	56.3	172.2	166.7	-164.6	-7.7	109.2	W501 W504 E540 A541	W501-R523 HydrophobicContact CD2-CG 4.42Å; W501-R523 HydrophobicContact CE3-CG 3.83Å; W501-R523 HydrophobicContact CZ3-CG 3.95Å; W501-R523 WeakPolarHBondContact CZ3-O 3.4Å; W504-R523 HydrophobicContact CD2-CB 3.74Å; W504-R523 HydrophobicContact CD2-CG 3.85Å; W504-R523 HydrophobicContact CE3-CB 3.79Å; W504-R523 HydrophobicContact CE3-CG 3.86Å; W504-R523 HydrophobicContact CG-CB 4.07Å; W504-R523 HydrophobicContact CH2-CG 3.94Å; W504-R523 HydrophobicContact CZ2-CG 3.96Å; W504-R523 VanDerWaalsContact CZ2-CZ 3.42Å; W504-R523 VanDerWaalsContact CZ2-NE 3.28Å; W504-R523 HydrophobicContact CZ3-CB 4.3Å; W504-R523 HydrophobicContact CZ3-CG 3.88Å; R523-E540 VanDerWaalsContact CZ-O 3.26Å; R523-E540 PolarHBondContact NE-O 3.38Å; R523-E540 PolarHBondContact NH2-O 2.91Å; R523-A541 PolarHBondContact N-O 3.08Å
524	E	62.9	Low	64	Low	123 Å²	123	65.6 Å²	65.6	58%	0.575	38%	0.375	S	S	*	.			trans	-102.9	142	-175.2	-67.8	-169.9	166.4	0	0	112.6	G502 N526	G502-E524 PolarHBondContact N-O 3.22Å; E524-N526 VanDerWaalsContact C-N 3.27Å; E524-N526 HydrophobicContact CB-CB 4.31Å; E524-N526 WeakPolarHBondContact CB-ND2 2.99Å; E524-N526 PolarHBondContact O-N 2.92Å; E524-N526 VanDerWaalsContact O-N 3.08Å; E524-N526 PolarHBondContact OE2-ND2 3.12Å
525	C	64.8	Low	63.6	Low	25 Å²	25	71.3 Å²	71.3	17%	0.169	40%	0.396	C	S	.	.	S	Bend	trans	-85.2	68.4	176.9	-177.3	0	0	0	0	109.6	G500 W501 P530 C537	G500-C525 CarbonylContact O-C 3.37Å; W501-C525 HydrophobicContact CE3-CB 4.01Å; W501-C525 HydrophobicContact CH2-CB 4.44Å; W501-C525 HydrophobicContact CZ3-CB 3.83Å; C525-P530 WeakPolarHBondContact O-CD 3.07Å; C525-C537 WeakPolarHBondContact CA-SG 3.47Å; C525-C537 HydrophobicContact CB-CB 3.87Å; C525-C537 WeakPolarHBondContact CB-SG 3.4Å; C525-C537 WeakPolarHBondContact SG-CB 3.04Å; C525-C537 PolarHBondContact SG-N 2.86Å; C525-C537 CovalentContact SG-SG 2.03Å; C525-C537 PolarHBondContact SG-SG 2.87Å
526	N	63.2	Low	63.3	Low	63 Å²	63	77.4 Å²	77.4	34%	0.337	41%	0.409	S	S	.	.			trans	-123.3	2.6	-167	67.6	17	0	0	0	115.5	G500 E524 P528 Q529	G500-N526 PolarHBondContact O-N 3.33Å; G500-N526 VanDerWaalsContact O-N 3.13Å; E524-N526 VanDerWaalsContact C-N 3.27Å; E524-N526 HydrophobicContact CB-CB 4.31Å; E524-N526 WeakPolarHBondContact CB-ND2 2.99Å; E524-N526 PolarHBondContact O-N 2.92Å; E524-N526 VanDerWaalsContact O-N 3.08Å; E524-N526 PolarHBondContact OE2-ND2 3.12Å; N526-P528 CarbonylContact C-O 3.54Å; N526-P528 CarbonylContact O-C 3.59Å; N526-Q529 VanDerWaalsContact C-N 3.34Å; N526-Q529 PolarHBondContact O-N 2.9Å
527	S	61.9	Low	62.9	Low	72 Å²	72	76.5 Å²	76.5	50%	0.503	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	78.1	-172	-67	0	0	0	0	113.2	G500	G500-S527 CarbonylContact C-O 3.58Å; G500-S527 WeakPolarHBondContact CA-O 3.48Å; G500-S527 CarbonylContact O-C 3.5Å; G500-S527 PolarHBondContact O-N 2.83Å
528	P	52.5	Low	62.3	Low	91 Å²	91	84 Å²	84	59%	0.591	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	cis	-77.1	163.7	-9.4	34	-35.5	0	0	0	111.6	G499 G500 N526	G499-P528 CarbonylContact C-O 3.39Å; G499-P528 WeakPolarHBondContact CA-O 3.47Å; G500-P528 PolarHBondContact N-O 2.87Å; N526-P528 CarbonylContact C-O 3.54Å; N526-P528 CarbonylContact O-C 3.59Å
529	Q	57.5	Low	62	Low	112 Å²	112	81.2 Å²	81.2	52%	0.523	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-80.2	135.9	176.8	-163.5	176.9	29.5	0	0	110.8	N526 Q531	N526-Q529 VanDerWaalsContact C-N 3.34Å; N526-Q529 PolarHBondContact O-N 2.9Å; Q529-Q531 PolarHBondContact O-N 3.06Å
530	P	57.2	Low	61.4	Low	35 Å²	35	85.2 Å²	85.2	23%	0.227	45%	0.449	C	S	.	.	P	Polyproline II helix	trans	-71.7	126.9	172	25.5	-23.8	0	0	0	109.6	I497 C525	I497-P530 CarbonylContact O-C 3.59Å; I497-P530 WeakPolarHBondContact O-CA 3.42Å; I497-P530 WeakPolarHBondContact O-CB 3.08Å; C525-P530 WeakPolarHBondContact O-CD 3.07Å
531	Q	55.5	Low	61	Low	89 Å²	89	84.4 Å²	84.4	42%	0.416	45%	0.446	S	S	.	.			trans	-127.5	137	-167.5	-76.8	-170.4	-6.1	0	0	113.8	P496 I497 Q529 G533	P496-Q531 CarbonylContact C-O 3.52Å; P496-Q531 WeakPolarHBondContact CA-O 3.45Å; P496-Q531 WeakPolarHBondContact CB-O 3.44Å; I497-Q531 PolarHBondContact N-O 2.92Å; I497-Q531 PolarHBondContact O-N 3.5Å; Q529-Q531 PolarHBondContact O-N 3.06Å; Q531-G533 VanDerWaalsContact C-N 3.31Å; Q531-G533 PolarHBondContact O-N 3.34Å; Q531-G533 VanDerWaalsContact O-N 3.1Å
532	Y	57.6	Low	60.4	Low	169 Å²	169	84.6 Å²	84.6	66%	0.663	46%	0.456	S	S	*	.	B	Isolated β-bridge	trans	73	-69	-175.1	-53.8	-86	0	0	0	114.2	P496	P496-Y532 WeakPolarHBondContact CD-O 3.18Å; P496-Y532 WeakPolarHBondContact CG-O 3.47Å; P496-Y532 VanDerWaalsContact N-C 3.3Å
533	G	55.5	Low	60.7	Low	39 Å²	39	85 Å²	85	40%	0.402	45%	0.454	S	S	.	.	S	Bend	trans	-98.5	-84.3	176.5	0	0	0	0	0	134	P496 Q531	P496-G533 VanDerWaalsContact C-C 3.48Å; P496-G533 WeakPolarHBondContact CB-O 3.21Å; P496-G533 WeakPolarHBondContact CG-O 3.31Å; P496-G533 CarbonylContact O-C 3.35Å; P496-G533 WeakPolarHBondContact O-CA 3.34Å; Q531-G533 VanDerWaalsContact C-N 3.31Å; Q531-G533 PolarHBondContact O-N 3.34Å; Q531-G533 VanDerWaalsContact O-N 3.1Å
534	G	60.1	Low	60.7	Low	20 Å²	20	86 Å²	86	21%	0.206	47%	0.471	C	S	.	.	S	Bend	trans	-46.5	173.7	175.9	0	0	0	0	0	117.8	P496 I497 D498	P496-G534 VanDerWaalsContact CA-N 3.33Å; P496-G534 PolarHBondContact O-N 2.86Å; I497-G534 CarbonylContact O-C 3.4Å; D498-G534 WeakPolarHBondContact OD1-CA 3.45Å
535	K	55.3	Low	61.1	Low	157 Å²	157	83.7 Å²	83.7	68%	0.683	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-79.2	147	-151.2	-62	150.3	-162.8	147.1	0	113.6	D498 G499	D498-K535 WeakPolarHBondContact OD1-CB 3.41Å; D498-K535 VanDerWaalsContact OD1-CD 3.32Å; D498-K535 WeakPolarHBondContact OD1-CD 3.39Å; D498-K535 WeakPolarHBondContact OD1-CG 3.37Å; D498-K535 PolarHBondContact OD1-N 3.26Å; D498-K535 IonicContact OD1-NZ 2.7Å; G499-K535 PolarHBondContact N-O 2.81Å
536	K	58.9	Low	61.4	Low	176 Å²	176	85 Å²	85	77%	0.765	47%	0.472	S	S	*	.	P	Polyproline II helix	trans	-69.1	154.3	164.9	-63	-175.8	179.4	-176.7	0	110.8
537	C	60.8	Low	61.5	Low	20 Å²	20	83 Å²	83	14%	0.135	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-58.7	145	171.4	-51.3	0	0	0	0	111.6	G499 G500 W501 C525	G499-C537 VanDerWaalsContact C-SG 3.57Å; G500-C537 WeakPolarHBondContact CA-SG 3.39Å; G500-C537 PolarHBondContact N-SG 3.24Å; G500-C537 VanDerWaalsContact N-SG 3.39Å; G500-C537 PolarHBondContact O-SG 2.9Å; G500-C537 VanDerWaalsContact O-SG 3.35Å; W501-C537 HydrophobicContact CD2-CB 3.4Å; W501-C537 VanDerWaalsContact CD2-CB 3.4Å; W501-C537 HydrophobicContact CE3-CB 3.95Å; W501-C537 HydrophobicContact CG-CB 3.77Å; W501-C537 HydrophobicContact CH2-CB 4Å; W501-C537 HydrophobicContact CZ2-CB 3.49Å; W501-C537 VanDerWaalsContact CZ2-CB 3.49Å; W501-C537 HydrophobicContact CZ3-CB 4.22Å; W501-C537 PolarHBondContact N-SG 2.97Å; W501-C537 VanDerWaalsContact N-SG 3.39Å; C525-C537 WeakPolarHBondContact CA-SG 3.47Å; C525-C537 HydrophobicContact CB-CB 3.87Å; C525-C537 WeakPolarHBondContact CB-SG 3.4Å; C525-C537 WeakPolarHBondContact SG-CB 3.04Å; C525-C537 PolarHBondContact SG-N 2.86Å; C525-C537 CovalentContact SG-SG 2.03Å; C525-C537 PolarHBondContact SG-SG 2.87Å
538	I	59.5	Low	61.6	Low	163 Å²	163	83.2 Å²	83.2	84%	0.836	46%	0.458	S	S	*	.	S	Bend	trans	-101.6	138.7	-175.1	-60.9	176.1	0	0	0	110.6	W501	W501-I538 PolarHBondContact NE1-O 3.09Å
539	G	64.6	Low	62	Low	43 Å²	43	86 Å²	86	44%	0.443	46%	0.461	S	S	.	.	S	Bend	trans	111.1	165.2	-173.8	0	0	0	0	0	111.8	W501 A541	W501-G539 VanDerWaalsContact CZ2-O 3.27Å; W501-G539 WeakPolarHBondContact CZ2-O 3.42Å; G539-A541 PolarHBondContact O-N 3.2Å
540	E	61.1	Low	62	Low	142 Å²	142	88.5 Å²	88.5	66%	0.664	47%	0.473	S	S	*	.			trans	-66.7	134.9	-175.3	-63.6	-48.7	131	0	0	112.8	R523	R523-E540 VanDerWaalsContact CZ-O 3.26Å; R523-E540 PolarHBondContact NE-O 3.38Å; R523-E540 PolarHBondContact NH2-O 2.91Å
541	A	61.8	Low	61.9	Low	40 Å²	40	93.9 Å²	93.9	33%	0.331	50%	0.499	S	S	.	.	S	Bend	trans	-84.2	-19.8	179.8	0	0	0	0	0	112.9	W501 W504 S522 R523 G539	W501-A541 HydrophobicContact CH2-CB 3.75Å; W501-A541 HydrophobicContact CZ3-CB 4.24Å; W504-A541 WeakPolarHBondContact CZ3-O 3.2Å; S522-A541 CarbonylContact C-O 3.6Å; S522-A541 VanDerWaalsContact CA-O 3.28Å; S522-A541 WeakPolarHBondContact CA-O 3.33Å; R523-A541 PolarHBondContact N-O 3.08Å; G539-A541 PolarHBondContact O-N 3.2Å
542	T	62.7	Low	61.8	Low	86 Å²	86	92.7 Å²	92.7	53%	0.528	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	147.7	-172.4	38.3	0	0	0	0	110.9	R521	R521-T542 CarbonylContact O-C 3.52Å; R521-T542 VanDerWaalsContact O-CA 3.27Å; R521-T542 WeakPolarHBondContact O-CA 3.45Å
543	D	71.7	Confident	61.7	Low	58 Å²	58	90.1 Å²	90.1	31%	0.31	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	144.9	179	178.9	24	0	0	0	108.3	W504 W507 S520 R521	W504-D543 HydrophobicContact CH2-CB 4.01Å; W504-D543 HydrophobicContact CZ3-CB 4.01Å; W507-D543 HydrophobicContact CH2-CB 4.29Å; W507-D543 WeakPolarHBondContact CZ3-O 3.38Å; S520-D543 CarbonylContact C-O 3.59Å; S520-D543 WeakPolarHBondContact CA-O 3.44Å; R521-D543 HydrophobicContact CG-CB 3.85Å; R521-D543 IonicContact CZ-OD2 3.16Å; R521-D543 PolarHBondContact N-O 2.78Å; R521-D543 IonicContact NE-OD2 2.81Å; R521-D543 PolarHBondContact NE-OD2 2.84Å; R521-D543 IonicContact NH2-OD2 2.68Å; R521-D543 PolarHBondContact NH2-OD2 3.13Å; R521-D543 PolarHBondContact O-N 2.8Å
544	S	68.8	Low	61.8	Low	84 Å²	84	94.1 Å²	94.1	59%	0.587	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-145.8	133.5	-163.5	61.2	0	0	0	0	113.3	K519	K519-S544 WeakPolarHBondContact O-CA 3.14Å
545	D	72.3	Confident	61.8	Low	74 Å²	74	96.8 Å²	96.8	40%	0.396	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	158.8	-177.8	177	32.6	0	0	0	111.4	W507 I518 K519	W507-D545 HydrophobicContact CH2-CB 4.03Å; W507-D545 HydrophobicContact CZ3-CB 4.19Å; I518-D545 WeakPolarHBondContact CA-O 3.46Å; K519-D545 WeakPolarHBondContact CE-OD2 3.49Å; K519-D545 HydrophobicContact CG-CB 4.4Å; K519-D545 WeakPolarHBondContact CG-O 3.27Å; K519-D545 PolarHBondContact N-O 3.26Å; K519-D545 IonicContact NZ-OD2 2.72Å; K519-D545 PolarHBondContact NZ-OD2 3.18Å; K519-D545 PolarHBondContact O-N 3.45Å
546	S	70.8	Confident	62.2	Low	53 Å²	53	89.9 Å²	89.9	37%	0.371	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	150	-174	68.4	0	0	0	0	113.9	K549	S546-K549 VanDerWaalsContact OG-CE 3.25Å; S546-K549 WeakPolarHBondContact OG-CE 3.37Å; S546-K549 PolarHBondContact OG-NZ 2.83Å
547	C	64.8	Low	63	Low	19 Å²	19	82.5 Å²	82.5	13%	0.128	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	171.6	-178.7	41.2	0	0	0	0	112.4	C510 G517 I518 K519	C510-C547 HydrophobicContact CB-CB 3.95Å; C510-C547 WeakPolarHBondContact CB-SG 3.36Å; C510-C547 WeakPolarHBondContact SG-CB 3.07Å; C510-C547 CovalentContact SG-SG 2.03Å; C510-C547 PolarHBondContact SG-SG 3.25Å; G517-C547 PolarHBondContact N-O 3.49Å; G517-C547 PolarHBondContact O-N 2.04Å; I518-C547 VanDerWaalsContact C-SG 3.56Å; K519-C547 PolarHBondContact N-SG 3.17Å; K519-C547 VanDerWaalsContact N-SG 3.45Å
548	N	64.6	Low	63.5	Low	77 Å²	77	88.4 Å²	88.4	41%	0.412	50%	0.498	S	S	.	.			trans	48.6	64.4	168.8	-59.6	4.3	0	0	0	115.8	C510 A512 G516 E550	C510-N548 WeakPolarHBondContact CB-ND2 3.08Å; A512-N548 PolarHBondContact O-ND2 3.16Å; G516-N548 WeakPolarHBondContact CA-O 3.18Å; G516-N548 PolarHBondContact N-O 3.33Å; N548-E550 PolarHBondContact O-N 2.88Å
549	K	60.9	Low	64.4	Low	151 Å²	151	84.6 Å²	84.6	66%	0.657	49%	0.486	S	S	*	.			trans	-97.9	36.6	-169.8	-58.5	-176.3	-179.9	177.6	0	115.1	S546	S546-K549 VanDerWaalsContact OG-CE 3.25Å; S546-K549 WeakPolarHBondContact OG-CE 3.37Å; S546-K549 PolarHBondContact OG-NZ 2.83Å
550	E	57.8	Low	65.1	Low	164 Å²	164	89.3 Å²	89.3	77%	0.766	50%	0.501	S	S	*	.	S	Bend	trans	-119.6	140.9	174.7	-64.4	-175.1	-176.6	0	0	109	C514 G515 N548	C514-E550 CarbonylContact C-O 3.5Å; C514-E550 WeakPolarHBondContact CA-O 3.33Å; C514-E550 VanDerWaalsContact CB-O 3.3Å; C514-E550 WeakPolarHBondContact CB-O 3.49Å; G515-E550 PolarHBondContact N-O 3.32Å; N548-E550 PolarHBondContact O-N 2.88Å
551	D	54.9	Low	66.1	Low	147 Å²	147	84 Å²	84	79%	0.786	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-73.5	161.1	-166.5	-62.5	-53.3	0	0	0	114
552	C	52.3	Low	67.2	Low	65 Å²	65	83.1 Å²	83.1	44%	0.439	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-93.8	149	-179	-56.9	0	0	0	0	112.1	C514	C514-C552 HydrophobicContact CB-CB 4.13Å; C514-C552 WeakPolarHBondContact CB-SG 3.46Å; C514-C552 VanDerWaalsContact SG-CA 3.57Å; C514-C552 WeakPolarHBondContact SG-CB 3.27Å; C514-C552 CovalentContact SG-SG 2.04Å; C514-C552 PolarHBondContact SG-SG 3.32Å
553	P	56.3	Low	68.3	Low	114 Å²	114	82.1 Å²	82.1	74%	0.74	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-71.1	160.6	177.1	30.7	-36	0	0	0	113.1
554	I	57.9	Low	68.7	Low	124 Å²	124	82.3 Å²	82.3	64%	0.636	47%	0.474	S	S	*	.			trans	-120.8	136.7	-179.2	-58.1	173.8	0	0	0	108.9
555	D	59.1	Low	69.1	Low	75 Å²	75	82 Å²	82	40%	0.401	48%	0.484	S	S	.	.			trans	-109.9	127.1	173.5	172	-12.9	0	0	0	108.9	C557 L558 S570	D555-C557 PolarHBondContact OD1-N 2.71Å; D555-L558 HydrophobicContact CB-CD1 3.96Å; D555-S570 VanDerWaalsContact OD1-CB 3.25Å; D555-S570 WeakPolarHBondContact OD1-CB 3.46Å; D555-S570 PolarHBondContact OD1-OG 2.79Å
556	G	64.8	Low	69.8	Low	12 Å²	12	79.2 Å²	79.2	12%	0.124	47%	0.469	C	S	.	.	S	Bend	trans	-85.1	-20.9	-177.7	0	0	0	0	0	115.5	L558 S559	G556-L558 VanDerWaalsContact C-N 3.32Å; G556-L558 PolarHBondContact O-N 3.38Å; G556-S559 PolarHBondContact O-N 3.4Å; G556-S559 PolarHBondContact O-OG 3.07Å
557	C	74.5	Confident	70.6	Confident	21 Å²	21	83.4 Å²	83.4	14%	0.142	49%	0.487	C	S	.	.	G	3₁₀ helix	trans	-75.7	-19	-173.4	-76.8	0	0	0	0	113.5	D555 S559 N560 C568 S569	D555-C557 PolarHBondContact OD1-N 2.71Å; C557-S559 PolarHBondContact O-N 3.19Å; C557-N560 PolarHBondContact O-N 2.84Å; C557-C568 VanDerWaalsContact CA-SG 3.52Å; C557-C568 HydrophobicContact CB-CB 3.82Å; C557-C568 WeakPolarHBondContact CB-SG 3.49Å; C557-C568 WeakPolarHBondContact SG-CB 3.16Å; C557-C568 CovalentContact SG-SG 2.04Å; C557-C568 PolarHBondContact SG-SG 3.32Å; C557-S569 VanDerWaalsContact SG-C 3.5Å; C557-S569 PolarHBondContact SG-N 3.46Å
558	L	72.6	Confident	71.6	Confident	144 Å²	144	84.6 Å²	84.6	75%	0.754	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-55.7	-10	171.3	-79.9	150.7	0	0	0	115	D555 G556	D555-L558 HydrophobicContact CB-CD1 3.96Å; G556-L558 VanDerWaalsContact C-N 3.32Å; G556-L558 PolarHBondContact O-N 3.38Å
559	S	77.6	Confident	72.5	Confident	84 Å²	84	84.1 Å²	84.1	59%	0.587	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-90.5	-1.2	175	62	0	0	0	0	114.6	G556 C557	G556-S559 PolarHBondContact O-N 3.4Å; G556-S559 PolarHBondContact O-OG 3.07Å; C557-S559 PolarHBondContact O-N 3.19Å
560	N	78.9	Confident	73.4	Confident	142 Å²	142	79.5 Å²	79.5	76%	0.759	49%	0.485	S	S	*	.			trans	46.4	59.4	-170.9	-64.8	-10.4	0	0	0	113.4	C557 C562	C557-N560 PolarHBondContact O-N 2.84Å; N560-C562 VanDerWaalsContact C-N 3.35Å; N560-C562 PolarHBondContact O-N 2.83Å
561	P	82.1	Confident	74.4	Confident	29 Å²	29	74.6 Å²	74.6	19%	0.188	47%	0.469	C	S	.	.			trans	-82.6	-8.1	-173.2	35	-36.9	0	0	0	114.8	W576	P561-W576 HydrophobicContact CB-CD2 3.72Å; P561-W576 VanDerWaalsContact CB-CE2 3.47Å; P561-W576 HydrophobicContact CB-CE3 3.89Å; P561-W576 HydrophobicContact CB-CG 4.46Å; P561-W576 HydrophobicContact CB-CH2 3.7Å; P561-W576 HydrophobicContact CB-CZ2 3.48Å; P561-W576 VanDerWaalsContact CB-CZ2 3.48Å; P561-W576 HydrophobicContact CB-CZ3 3.9Å; P561-W576 HydrophobicContact CG-CD2 3.46Å; P561-W576 VanDerWaalsContact CG-CD2 3.46Å; P561-W576 HydrophobicContact CG-CE3 3.71Å; P561-W576 HydrophobicContact CG-CG 3.81Å; P561-W576 HydrophobicContact CG-CH2 4.44Å; P561-W576 HydrophobicContact CG-CZ2 4.22Å; P561-W576 HydrophobicContact CG-CZ3 4.2Å
562	C	86.2	Confident	75	Confident	22 Å²	22	72.2 Å²	72.2	15%	0.149	47%	0.47	C	S	.	.	S	Bend	trans	-98.5	161.9	179.7	-53.5	0	0	0	0	111.5	N560 V566 C568 C578	N560-C562 VanDerWaalsContact C-N 3.35Å; N560-C562 PolarHBondContact O-N 2.83Å; C562-V566 HydrophobicContact CB-CB 4.1Å; C562-V566 HydrophobicContact CB-CG1 4.14Å; C562-C568 HydrophobicContact CB-CB 4.49Å; C562-C568 VanDerWaalsContact SG-CB 3.57Å; C562-C568 VanDerWaalsContact SG-SG 3.7Å; C562-C578 WeakPolarHBondContact CA-SG 3.4Å; C562-C578 HydrophobicContact CB-CB 3.82Å; C562-C578 WeakPolarHBondContact CB-SG 3.44Å; C562-C578 VanDerWaalsContact SG-CA 3.5Å; C562-C578 WeakPolarHBondContact SG-CB 3.06Å; C562-C578 CovalentContact SG-SG 2.03Å; C562-C578 PolarHBondContact SG-SG 2.99Å
563	F	85.9	Confident	76	Confident	66 Å²	66	75 Å²	75	29%	0.289	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-63.2	155.8	175.9	-173.6	-95.6	0	0	0	111.7	G565 V566 P582 F585 G589 C592	F563-G565 PolarHBondContact O-N 3.03Å; F563-V566 HydrophobicContact CB-CG2 3.92Å; F563-V566 HydrophobicContact CD1-CG2 4.38Å; F563-V566 WeakPolarHBondContact O-CB 3.37Å; F563-V566 PolarHBondContact O-N 3.48Å; F563-P582 HydrophobicContact CD1-CG 4.42Å; F563-F585 HydrophobicContact CE1-CD1 4.26Å; F563-F585 HydrophobicContact CE1-CD2 4.39Å; F563-F585 HydrophobicContact CE1-CE1 4.28Å; F563-F585 HydrophobicContact CE1-CE2 4.36Å; F563-F585 HydrophobicContact CE1-CG 4.33Å; F563-F585 HydrophobicContact CE1-CZ 4.32Å; F563-F585 HydrophobicContact CZ-CD1 4.13Å; F563-F585 AromaticContact CZ-CE1 3.95Å; F563-F585 HydrophobicContact CZ-CE1 3.95Å; F563-F585 HydrophobicContact CZ-CZ 4.27Å; F563-G589 WeakPolarHBondContact CB-O 3.27Å; F563-G589 PolarHBondContact N-O 3.44Å; F563-C592 HydrophobicContact CB-CB 4.19Å; F563-C592 HydrophobicContact CD1-CB 3.67Å; F563-C592 HydrophobicContact CD2-CB 3.82Å; F563-C592 HydrophobicContact CE1-CB 3.88Å; F563-C592 HydrophobicContact CE2-CB 4.01Å; F563-C592 HydrophobicContact CG-CB 3.63Å; F563-C592 HydrophobicContact CZ-CB 4.04Å
564	G	79.3	Confident	76.5	Confident	62 Å²	62	70.7 Å²	70.7	64%	0.639	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	121.6	-178.4	0	0	0	0	0	112.1
565	G	77.9	Confident	77.4	Confident	77 Å²	77	67.2 Å²	67.2	79%	0.794	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.5	4.7	-177.4	0	0	0	0	0	115.5	F563	F563-G565 PolarHBondContact O-N 3.03Å
566	V	87.6	Confident	78.5	Confident	15 Å²	15	68.5 Å²	68.5	9%	0.091	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-93.8	130.3	173.1	178.2	0	0	0	0	110.8	C562 F563 C568 C578 G579 P582	C562-V566 HydrophobicContact CB-CB 4.1Å; C562-V566 HydrophobicContact CB-CG1 4.14Å; F563-V566 HydrophobicContact CB-CG2 3.92Å; F563-V566 HydrophobicContact CD1-CG2 4.38Å; F563-V566 WeakPolarHBondContact O-CB 3.37Å; F563-V566 PolarHBondContact O-N 3.48Å; V566-C568 PolarHBondContact O-N 3.12Å; V566-C578 HydrophobicContact CG1-CB 4.01Å; V566-G579 WeakPolarHBondContact CG1-O 3.47Å; V566-P582 HydrophobicContact CG2-CG 4.16Å
567	D	86.6	Confident	79.3	Confident	141 Å²	141	74.5 Å²	74.5	75%	0.754	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-60.4	127.8	173.9	-76	-42.5	0	0	0	111.5	G579	D567-G579 PolarHBondContact O-N 2.84Å
568	C	85.3	Confident	80	Confident	45 Å²	45	74.9 Å²	74.9	30%	0.304	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	129.7	172.3	-173.3	0	0	0	0	110	C557 C562 V566	C557-C568 VanDerWaalsContact CA-SG 3.52Å; C557-C568 HydrophobicContact CB-CB 3.82Å; C557-C568 WeakPolarHBondContact CB-SG 3.49Å; C557-C568 WeakPolarHBondContact SG-CB 3.16Å; C557-C568 CovalentContact SG-SG 2.04Å; C557-C568 PolarHBondContact SG-SG 3.32Å; C562-C568 HydrophobicContact CB-CB 4.49Å; C562-C568 VanDerWaalsContact SG-CB 3.57Å; C562-C568 VanDerWaalsContact SG-SG 3.7Å; V566-C568 PolarHBondContact O-N 3.12Å
569	S	84.2	Confident	80.5	Confident	67 Å²	67	69.1 Å²	69.1	47%	0.469	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.3	175.6	65	0	0	0	0	111	C557 W576 E577	C557-S569 VanDerWaalsContact SG-C 3.5Å; C557-S569 PolarHBondContact SG-N 3.46Å; S569-W576 CarbonylContact O-C 3.54Å; S569-W576 VanDerWaalsContact O-CA 3.23Å; S569-W576 WeakPolarHBondContact O-CA 3.2Å; S569-E577 PolarHBondContact N-O 2.8Å; S569-E577 PolarHBondContact O-N 3.04Å; S569-E577 PolarHBondContact OG-O 3.04Å
570	S	80.1	Confident	81	Confident	54 Å²	54	70.7 Å²	70.7	38%	0.378	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	130.6	-178.2	62.6	0	0	0	0	111.7	D555	D555-S570 VanDerWaalsContact OD1-CB 3.25Å; D555-S570 WeakPolarHBondContact OD1-CB 3.46Å; D555-S570 PolarHBondContact OD1-OG 2.79Å
571	S	78.1	Confident	81.4	Confident	60 Å²	60	65 Å²	65	42%	0.42	42%	0.424	S	S	.	.			trans	-89.4	155	170.1	-79.7	0	0	0	0	112	D573 G574 S575	S571-D573 VanDerWaalsContact CB-OD1 3.28Å; S571-D573 WeakPolarHBondContact CB-OD1 3.18Å; S571-D573 PolarHBondContact O-N 3.1Å; S571-G574 PolarHBondContact O-N 3.19Å; S571-S575 WeakPolarHBondContact CB-OG 3.41Å; S571-S575 PolarHBondContact N-O 2.8Å
572	A	68.8	Low	81.6	Confident	98 Å²	98	65.3 Å²	65.3	81%	0.81	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-1.3	-174.6	0	0	0	0	0	115.3
573	D	72.7	Confident	81.4	Confident	124 Å²	124	67.8 Å²	67.8	66%	0.663	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-0.9	170.2	67.9	-15.3	0	0	0	113.2	S571 S575	S571-D573 VanDerWaalsContact CB-OD1 3.28Å; S571-D573 WeakPolarHBondContact CB-OD1 3.18Å; S571-D573 PolarHBondContact O-N 3.1Å; D573-S575 WeakPolarHBondContact OD1-CB 3.46Å; D573-S575 PolarHBondContact OD1-N 3.34Å; D573-S575 PolarHBondContact OD1-OG 3.34Å; D573-S575 PolarHBondContact OD2-OG 2.88Å
574	G	67.1	Low	81.2	Confident	23 Å²	23	64.7 Å²	64.7	24%	0.237	44%	0.435	C	S	.	.	S	Bend	trans	87.8	2.4	-176.3	0	0	0	0	0	114.6	S571	S571-G574 PolarHBondContact O-N 3.19Å
575	S	76	Confident	81.5	Confident	51 Å²	51	63.4 Å²	63.4	36%	0.357	41%	0.412	S	S	.	.			trans	-75.3	161.6	168.9	66.7	0	0	0	0	111.5	S571 D573	S571-S575 WeakPolarHBondContact CB-OG 3.41Å; S571-S575 PolarHBondContact N-O 2.8Å; D573-S575 WeakPolarHBondContact OD1-CB 3.46Å; D573-S575 PolarHBondContact OD1-N 3.34Å; D573-S575 PolarHBondContact OD1-OG 3.34Å; D573-S575 PolarHBondContact OD2-OG 2.88Å
576	W	81.5	Confident	81.9	Confident	102 Å²	102	66.2 Å²	66.2	39%	0.386	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	148.2	-179.1	52.7	-98.7	0	0	0	111.2	P561 S569 T590	P561-W576 HydrophobicContact CB-CD2 3.72Å; P561-W576 VanDerWaalsContact CB-CE2 3.47Å; P561-W576 HydrophobicContact CB-CE3 3.89Å; P561-W576 HydrophobicContact CB-CG 4.46Å; P561-W576 HydrophobicContact CB-CH2 3.7Å; P561-W576 HydrophobicContact CB-CZ2 3.48Å; P561-W576 VanDerWaalsContact CB-CZ2 3.48Å; P561-W576 HydrophobicContact CB-CZ3 3.9Å; P561-W576 HydrophobicContact CG-CD2 3.46Å; P561-W576 VanDerWaalsContact CG-CD2 3.46Å; P561-W576 HydrophobicContact CG-CE3 3.71Å; P561-W576 HydrophobicContact CG-CG 3.81Å; P561-W576 HydrophobicContact CG-CH2 4.44Å; P561-W576 HydrophobicContact CG-CZ2 4.22Å; P561-W576 HydrophobicContact CG-CZ3 4.2Å; S569-W576 CarbonylContact O-C 3.54Å; S569-W576 VanDerWaalsContact O-CA 3.23Å; S569-W576 WeakPolarHBondContact O-CA 3.2Å; W576-T590 HydrophobicContact CH2-CG2 4.02Å; W576-T590 HydrophobicContact CZ3-CG2 3.7Å
577	E	83.3	Confident	81.8	Confident	138 Å²	138	68.4 Å²	68.4	65%	0.645	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131	136.2	174.2	-64.5	-174.1	175	0	0	109.8	S569	S569-E577 PolarHBondContact N-O 2.8Å; S569-E577 PolarHBondContact O-N 3.04Å; S569-E577 PolarHBondContact OG-O 3.04Å
578	C	87.6	Confident	81.7	Confident	29 Å²	29	66.7 Å²	66.7	20%	0.196	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	144.7	178.9	-58.2	0	0	0	0	111.3	C562 V566 T590	C562-C578 WeakPolarHBondContact CA-SG 3.4Å; C562-C578 HydrophobicContact CB-CB 3.82Å; C562-C578 WeakPolarHBondContact CB-SG 3.44Å; C562-C578 VanDerWaalsContact SG-CA 3.5Å; C562-C578 WeakPolarHBondContact SG-CB 3.06Å; C562-C578 CovalentContact SG-SG 2.03Å; C562-C578 PolarHBondContact SG-SG 2.99Å; V566-C578 HydrophobicContact CG1-CB 4.01Å; C578-T590 HydrophobicContact CB-CG2 4.46Å
579	G	84.1	Confident	81.5	Confident	23 Å²	23	64.6 Å²	64.6	24%	0.237	40%	0.401	C	S	.	.			trans	-68.4	-174.2	170.5	0	0	0	0	0	114.2	V566 D567 G589	V566-G579 WeakPolarHBondContact CG1-O 3.47Å; D567-G579 PolarHBondContact O-N 2.84Å; G579-G589 VanDerWaalsContact O-CA 3.24Å; G579-G589 WeakPolarHBondContact O-CA 3.28Å
580	P	87.2	Confident	81.5	Confident	117 Å²	117	63.4 Å²	63.4	76%	0.76	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-63.7	158	172	29.9	-35.4	0	0	0	111.6
581	C	87.3	Confident	81.8	Confident	22 Å²	22	67.7 Å²	67.7	15%	0.149	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-62.6	156.1	171.6	-65.8	0	0	0	0	111.8	F585 G587 C592	C581-F585 HydrophobicContact CB-CB 3.96Å; C581-F585 WeakPolarHBondContact CB-O 3.38Å; C581-G587 VanDerWaalsContact SG-C 3.57Å; C581-G587 VanDerWaalsContact SG-CA 3.51Å; C581-G587 PolarHBondContact SG-N 2.75Å; C581-C592 HydrophobicContact CB-CB 3.82Å; C581-C592 WeakPolarHBondContact CB-SG 3.3Å; C581-C592 WeakPolarHBondContact SG-CB 3.45Å; C581-C592 CovalentContact SG-SG 2.04Å; C581-C592 PolarHBondContact SG-SG 3.11Å
582	P	86.6	Confident	82.2	Confident	36 Å²	36	65.5 Å²	65.5	23%	0.234	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-65.5	163	177	-17	32.5	0	0	0	112	F563 V566 G584 F585	F563-P582 HydrophobicContact CD1-CG 4.42Å; V566-P582 HydrophobicContact CG2-CG 4.16Å; P582-G584 PolarHBondContact O-N 2.92Å; P582-F585 HydrophobicContact CB-CD2 4.2Å; P582-F585 HydrophobicContact CG-CD2 4.4Å; P582-F585 PolarHBondContact O-N 3.26Å
583	A	81.9	Confident	83.1	Confident	73 Å²	73	66.7 Å²	66.7	60%	0.603	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	139.3	172.8	0	0	0	0	0	111	F585	A583-F585 VanDerWaalsContact C-N 3.33Å
584	G	81.8	Confident	83.9	Confident	1 Å²	1	62.7 Å²	62.7	1%	0.01	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	-14.1	-167.7	0	0	0	0	0	114.3	P582 I595	P582-G584 PolarHBondContact O-N 2.92Å; G584-I595 WeakPolarHBondContact O-CB 3.35Å; G584-I595 WeakPolarHBondContact O-CG1 3.41Å; G584-I595 PolarHBondContact O-N 2.95Å
585	F	86.3	Confident	84.9	Confident	36 Å²	36	62.6 Å²	62.6	16%	0.158	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	144.1	-179.4	-62.2	-88.5	0	0	0	114	F563 C581 P582 A583 C592 E593 I595 P619	F563-F585 HydrophobicContact CE1-CD1 4.26Å; F563-F585 HydrophobicContact CE1-CD2 4.39Å; F563-F585 HydrophobicContact CE1-CE1 4.28Å; F563-F585 HydrophobicContact CE1-CE2 4.36Å; F563-F585 HydrophobicContact CE1-CG 4.33Å; F563-F585 HydrophobicContact CE1-CZ 4.32Å; F563-F585 HydrophobicContact CZ-CD1 4.13Å; F563-F585 AromaticContact CZ-CE1 3.95Å; F563-F585 HydrophobicContact CZ-CE1 3.95Å; F563-F585 HydrophobicContact CZ-CZ 4.27Å; C581-F585 HydrophobicContact CB-CB 3.96Å; C581-F585 WeakPolarHBondContact CB-O 3.38Å; P582-F585 HydrophobicContact CB-CD2 4.2Å; P582-F585 HydrophobicContact CG-CD2 4.4Å; P582-F585 PolarHBondContact O-N 3.26Å; A583-F585 VanDerWaalsContact C-N 3.33Å; F585-C592 HydrophobicContact CB-CB 3.99Å; F585-C592 HydrophobicContact CD1-CB 4.46Å; F585-C592 HydrophobicContact CG-CB 4.44Å; F585-E593 CarbonylContact C-O 3.52Å; F585-E593 VanDerWaalsContact CA-O 3.28Å; F585-E593 WeakPolarHBondContact CA-O 3.3Å; F585-I595 VanDerWaalsContact C-CD1 3.49Å; F585-P619 HydrophobicContact CD2-CB 4.26Å; F585-P619 HydrophobicContact CE1-CB 4.49Å; F585-P619 HydrophobicContact CE2-CB 3.53Å; F585-P619 HydrophobicContact CE2-CG 3.88Å; F585-P619 HydrophobicContact CZ-CB 3.66Å; F585-P619 HydrophobicContact CZ-CG 4.09Å
586	R	85.5	Confident	85.5	Confident	136 Å²	136	62.3 Å²	62.3	51%	0.513	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	145.3	172.8	62.1	179.7	-164.9	-153.1	-3.4	110.7	C592 E593 I595	R586-C592 CarbonylContact O-C 3.49Å; R586-C592 WeakPolarHBondContact O-CA 3.43Å; R586-E593 HydrophobicContact CG-CB 4.4Å; R586-E593 PolarHBondContact N-O 3.46Å; R586-E593 IonicContact NE-OE2 3.74Å; R586-E593 IonicContact NH2-OE2 3.32Å; R586-E593 PolarHBondContact NH2-OE2 3.5Å; R586-E593 PolarHBondContact O-N 3.49Å; R586-I595 HydrophobicContact CB-CD1 4Å; R586-I595 HydrophobicContact CB-CG1 3.75Å; R586-I595 HydrophobicContact CG-CG1 3.88Å
587	G	85.5	Confident	85.9	Confident	61 Å²	61	57.5 Å²	57.5	63%	0.629	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	156.6	-151.8	178.3	0	0	0	0	0	113.9	C581 H591	C581-G587 VanDerWaalsContact SG-C 3.57Å; C581-G587 VanDerWaalsContact SG-CA 3.51Å; C581-G587 PolarHBondContact SG-N 2.75Å; G587-H591 WeakPolarHBondContact CA-O 3.45Å
588	N	85.5	Confident	86.1	Confident	105 Å²	105	51.6 Å²	51.6	56%	0.561	30%	0.3	S	S	*	.	S	Bend	trans	-120.3	19.9	-173.2	73.6	4	0	0	0	114	T590 H591	N588-T590 PolarHBondContact O-N 2.66Å; N588-T590 PolarHBondContact OD1-N 3.09Å; N588-T590 VanDerWaalsContact OD1-N 3.09Å; N588-T590 PolarHBondContact OD1-OG1 3.02Å; N588-H591 PolarHBondContact N-O 3.09Å; N588-H591 PolarHBondContact OD1-N 2.97Å; N588-H591 PolarHBondContact OD1-O 3.25Å
589	G	80.9	Confident	86	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.324	C	S	.	.	S	Bend	trans	77.4	-25.4	-178.9	0	0	0	0	0	115.4	F563 G579	F563-G589 WeakPolarHBondContact CB-O 3.27Å; F563-G589 PolarHBondContact N-O 3.44Å; G579-G589 VanDerWaalsContact O-CA 3.24Å; G579-G589 WeakPolarHBondContact O-CA 3.28Å
590	T	83.5	Confident	86	Confident	42 Å²	42	60 Å²	60	26%	0.258	34%	0.336	S	S	.	.	S	Bend	trans	-91.4	-38.6	170.2	66.2	0	0	0	0	112	W576 C578 N588	W576-T590 HydrophobicContact CH2-CG2 4.02Å; W576-T590 HydrophobicContact CZ3-CG2 3.7Å; C578-T590 HydrophobicContact CB-CG2 4.46Å; N588-T590 PolarHBondContact O-N 2.66Å; N588-T590 PolarHBondContact OD1-N 3.09Å; N588-T590 VanDerWaalsContact OD1-N 3.09Å; N588-T590 PolarHBondContact OD1-OG1 3.02Å
591	H	85.8	Confident	85.8	Confident	144 Å²	144	54.9 Å²	54.9	67%	0.667	30%	0.302	S	S	*	.	S	Bend	trans	-125	123.4	175.8	-62.4	67.2	0	0	0	106.5	G587 N588	G587-H591 WeakPolarHBondContact CA-O 3.45Å; N588-H591 PolarHBondContact N-O 3.09Å; N588-H591 PolarHBondContact OD1-N 2.97Å; N588-H591 PolarHBondContact OD1-O 3.25Å
592	C	87.8	Confident	85.4	Confident	15 Å²	15	57.6 Å²	57.6	10%	0.101	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	128.7	-179.7	-62.9	0	0	0	0	107.4	F563 C581 F585 R586	F563-C592 HydrophobicContact CB-CB 4.19Å; F563-C592 HydrophobicContact CD1-CB 3.67Å; F563-C592 HydrophobicContact CD2-CB 3.82Å; F563-C592 HydrophobicContact CE1-CB 3.88Å; F563-C592 HydrophobicContact CE2-CB 4.01Å; F563-C592 HydrophobicContact CG-CB 3.63Å; F563-C592 HydrophobicContact CZ-CB 4.04Å; C581-C592 HydrophobicContact CB-CB 3.82Å; C581-C592 WeakPolarHBondContact CB-SG 3.3Å; C581-C592 WeakPolarHBondContact SG-CB 3.45Å; C581-C592 CovalentContact SG-SG 2.04Å; C581-C592 PolarHBondContact SG-SG 3.11Å; F585-C592 HydrophobicContact CB-CB 3.99Å; F585-C592 HydrophobicContact CD1-CB 4.46Å; F585-C592 HydrophobicContact CG-CB 4.44Å; R586-C592 CarbonylContact O-C 3.49Å; R586-C592 WeakPolarHBondContact O-CA 3.43Å
593	E	87.1	Confident	85.2	Confident	122 Å²	122	59.6 Å²	59.6	57%	0.57	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	148.7	177.3	-65.1	177.1	175.5	0	0	108.9	F585 R586	F585-E593 CarbonylContact C-O 3.52Å; F585-E593 VanDerWaalsContact CA-O 3.28Å; F585-E593 WeakPolarHBondContact CA-O 3.3Å; R586-E593 HydrophobicContact CG-CB 4.4Å; R586-E593 PolarHBondContact N-O 3.46Å; R586-E593 IonicContact NE-OE2 3.74Å; R586-E593 IonicContact NH2-OE2 3.32Å; R586-E593 PolarHBondContact NH2-OE2 3.5Å; R586-E593 PolarHBondContact O-N 3.49Å
594	D	89.7	Confident	85.5	Confident	40 Å²	40	56.1 Å²	56.1	21%	0.214	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	150	174.4	177.5	55.6	0	0	0	112.5	N616	D594-N616 PolarHBondContact OD2-ND2 3.32Å
595	I	88.4	Confident	85.8	Confident	21 Å²	21	56.3 Å²	56.3	11%	0.108	30%	0.303	C	S	.	.			trans	-105.5	113.6	175.8	-62.4	172.1	0	0	0	108.6	G584 F585 R586 E597 M600 N616 V640	G584-I595 WeakPolarHBondContact O-CB 3.35Å; G584-I595 WeakPolarHBondContact O-CG1 3.41Å; G584-I595 PolarHBondContact O-N 2.95Å; F585-I595 VanDerWaalsContact C-CD1 3.49Å; R586-I595 HydrophobicContact CB-CD1 4Å; R586-I595 HydrophobicContact CB-CG1 3.75Å; R586-I595 HydrophobicContact CG-CG1 3.88Å; I595-E597 VanDerWaalsContact C-N 3.35Å; I595-E597 HydrophobicContact CG2-CG 4.23Å; I595-E597 PolarHBondContact O-N 2.94Å; I595-M600 HydrophobicContact CG2-SD 3.58Å; I595-M600 VanDerWaalsContact CG2-SD 3.58Å; I595-N616 PolarHBondContact O-OD1 3.09Å; I595-V640 HydrophobicContact CG2-CG2 3.78Å
596	N	88.5	Confident	85.8	Confident	46 Å²	46	57.6 Å²	57.6	25%	0.246	31%	0.307	C	S	.	.			trans	-67.8	93.2	166.4	-170.3	-4.1	0	0	0	111	C598 D599 M600 N616	N596-C598 VanDerWaalsContact C-N 3.28Å; N596-C598 PolarHBondContact O-N 2.85Å; N596-C598 VanDerWaalsContact OD1-CB 3.3Å; N596-C598 WeakPolarHBondContact OD1-CB 3.14Å; N596-C598 PolarHBondContact OD1-N 2.92Å; N596-C598 VanDerWaalsContact OD1-N 3.12Å; N596-D599 HydrophobicContact CB-CB 4.27Å; N596-D599 PolarHBondContact ND2-OD1 3.22Å; N596-D599 VanDerWaalsContact ND2-OD1 3.08Å; N596-D599 PolarHBondContact ND2-OD2 3.06Å; N596-D599 PolarHBondContact O-N 2.86Å; N596-D599 PolarHBondContact OD1-N 2.9Å; N596-M600 WeakPolarHBondContact O-CG 3.12Å; N596-M600 PolarHBondContact O-N 3.41Å; N596-N616 VanDerWaalsContact CA-OD1 3.32Å; N596-N616 WeakPolarHBondContact CA-OD1 3.37Å; N596-N616 PolarHBondContact OD1-OD1 2.88Å
597	E	90.2	Very high	85.6	Confident	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-67.7	-28.6	178.4	-81.6	111.8	-160.9	0	0	112.8	I595 D599 M600 V601 N616 G620 F621 G639 V640 A643	I595-E597 VanDerWaalsContact C-N 3.35Å; I595-E597 HydrophobicContact CG2-CG 4.23Å; I595-E597 PolarHBondContact O-N 2.94Å; E597-D599 VanDerWaalsContact C-N 3.33Å; E597-D599 PolarHBondContact O-N 2.71Å; E597-M600 PolarHBondContact O-N 2.94Å; E597-M600 VanDerWaalsContact O-N 3.16Å; E597-V601 PolarHBondContact O-N 3.27Å; E597-N616 PolarHBondContact N-OD1 3.39Å; E597-G620 VanDerWaalsContact OE2-C 3.25Å; E597-G620 WeakPolarHBondContact OE2-CA 3.32Å; E597-F621 HydrophobicContact CB-CB 4.18Å; E597-F621 HydrophobicContact CB-CD1 3.97Å; E597-F621 HydrophobicContact CB-CG 4.27Å; E597-F621 HydrophobicContact CG-CD1 4.3Å; E597-F621 WeakPolarHBondContact OE2-CD1 3.34Å; E597-F621 PolarHBondContact OE2-N 3.47Å; E597-G639 VanDerWaalsContact OE1-C 3.26Å; E597-G639 WeakPolarHBondContact OE1-CA 3.23Å; E597-G639 PolarHBondContact OE1-N 3Å; E597-V640 HydrophobicContact CG-CB 4.5Å; E597-V640 HydrophobicContact CG-CG2 3.98Å; E597-V640 PolarHBondContact OE1-N 2.93Å; E597-A643 HydrophobicContact CB-CB 4.04Å; E597-A643 HydrophobicContact CG-CB 4.19Å
598	C	86.9	Confident	84.8	Confident	14 Å²	14	54.4 Å²	54.4	10%	0.095	28%	0.283	C	S	.	.	H	α-helix	trans	-62.8	-38.7	176.1	-57.4	0	0	0	0	111.9	N596 C614	N596-C598 VanDerWaalsContact C-N 3.28Å; N596-C598 PolarHBondContact O-N 2.85Å; N596-C598 VanDerWaalsContact OD1-CB 3.3Å; N596-C598 WeakPolarHBondContact OD1-CB 3.14Å; N596-C598 PolarHBondContact OD1-N 2.92Å; N596-C598 VanDerWaalsContact OD1-N 3.12Å; C598-C614 VanDerWaalsContact CA-SG 3.54Å; C598-C614 HydrophobicContact CB-CB 3.65Å; C598-C614 WeakPolarHBondContact CB-SG 3.28Å; C598-C614 WeakPolarHBondContact SG-CB 3.38Å; C598-C614 CovalentContact SG-SG 2.04Å; C598-C614 PolarHBondContact SG-SG 3.15Å
599	D	85.6	Confident	83.8	Confident	129 Å²	129	53.6 Å²	53.6	69%	0.69	30%	0.299	S	S	*	.	H	α-helix	trans	-71.3	-33.5	173.9	-70.4	-13	0	0	0	112.2	N596 E597	N596-D599 HydrophobicContact CB-CB 4.27Å; N596-D599 PolarHBondContact ND2-OD1 3.22Å; N596-D599 VanDerWaalsContact ND2-OD1 3.08Å; N596-D599 PolarHBondContact ND2-OD2 3.06Å; N596-D599 PolarHBondContact O-N 2.86Å; N596-D599 PolarHBondContact OD1-N 2.9Å; E597-D599 VanDerWaalsContact C-N 3.33Å; E597-D599 PolarHBondContact O-N 2.71Å
600	M	83.7	Confident	83	Confident	101 Å²	101	56.7 Å²	56.7	50%	0.498	33%	0.331	S	S	.	.	H	α-helix	trans	-86.7	-15.4	-172.6	-71.4	-164.1	65	0	0	114.4	I595 N596 E597 V640	I595-M600 HydrophobicContact CG2-SD 3.58Å; I595-M600 VanDerWaalsContact CG2-SD 3.58Å; N596-M600 WeakPolarHBondContact O-CG 3.12Å; N596-M600 PolarHBondContact O-N 3.41Å; E597-M600 PolarHBondContact O-N 2.94Å; E597-M600 VanDerWaalsContact O-N 3.16Å; M600-V640 HydrophobicContact CB-CG2 4.35Å; M600-V640 HydrophobicContact CE-CG2 4.09Å; M600-V640 HydrophobicContact SD-CG2 3.99Å
601	V	83.3	Confident	82.3	Confident	8 Å²	8	57.8 Å²	57.8	5%	0.048	34%	0.344	C	S	.	.			trans	-138.9	103	177.4	-171.4	0	0	0	0	107.9	E597 D603 V604 Q612 V640 A643 R644	E597-V601 PolarHBondContact O-N 3.27Å; V601-D603 PolarHBondContact O-N 3.22Å; V601-V604 HydrophobicContact CB-CG2 3.44Å; V601-V604 VanDerWaalsContact CB-CG2 3.44Å; V601-V604 HydrophobicContact CG1-CG2 3.43Å; V601-V604 VanDerWaalsContact CG1-CG2 3.43Å; V601-V604 HydrophobicContact CG2-CG2 4.47Å; V601-V604 WeakPolarHBondContact O-CG2 3.4Å; V601-Q612 PolarHBondContact O-NE2 3.15Å; V601-V640 HydrophobicContact CG2-CG1 3.82Å; V601-A643 HydrophobicContact CB-CB 4.37Å; V601-A643 HydrophobicContact CG2-CB 4.02Å; V601-R644 HydrophobicContact CG1-CG 4.06Å; V601-R644 HydrophobicContact CG2-CG 3.75Å
602	S	78	Confident	81.9	Confident	79 Å²	79	53.3 Å²	53.3	55%	0.552	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	15.8	-169	57.7	0	0	0	0	114.7	K607 Q612	S602-K607 WeakPolarHBondContact O-CE 3.17Å; S602-K607 PolarHBondContact O-NZ 2.83Å; S602-Q612 PolarHBondContact O-OE1 2.95Å
603	D	83.6	Confident	81.7	Confident	78 Å²	78	56.2 Å²	56.2	42%	0.417	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-147.9	29.8	-176.9	71.2	-15.6	0	0	0	113.3	V601 K647	V601-D603 PolarHBondContact O-N 3.22Å; D603-K647 WeakPolarHBondContact O-CD 3.4Å; D603-K647 VanDerWaalsContact OD1-CE 3.25Å; D603-K647 WeakPolarHBondContact OD1-CE 3.28Å; D603-K647 IonicContact OD1-NZ 3.86Å; D603-K647 PolarHBondContact OD1-NZ 2.9Å; D603-K647 IonicContact OD2-NZ 2.68Å; D603-K647 PolarHBondContact OD2-NZ 2.92Å
604	V	88.1	Confident	81.8	Confident	1 Å²	1	51.5 Å²	51.5	1%	0.006	31%	0.313	C	S	.	.	S	Bend	trans	-73.8	-42.7	175.3	-174.6	0	0	0	0	111.7	V601 F621 A643 K647 Q648	V601-V604 HydrophobicContact CB-CG2 3.44Å; V601-V604 VanDerWaalsContact CB-CG2 3.44Å; V601-V604 HydrophobicContact CG1-CG2 3.43Å; V601-V604 VanDerWaalsContact CG1-CG2 3.43Å; V601-V604 HydrophobicContact CG2-CG2 4.47Å; V601-V604 WeakPolarHBondContact O-CG2 3.4Å; V604-F621 HydrophobicContact CG1-CD2 3.79Å; V604-F621 HydrophobicContact CG1-CE2 3.33Å; V604-F621 HydrophobicContact CG1-CZ 3.96Å; V604-A643 HydrophobicContact CG1-CB 4.45Å; V604-A643 HydrophobicContact CG2-CB 3.83Å; V604-K647 CarbonylContact O-C 3.43Å; V604-K647 WeakPolarHBondContact O-CA 3.31Å; V604-Q648 WeakPolarHBondContact O-CB 3.29Å; V604-Q648 PolarHBondContact O-N 2.97Å
605	C	88.5	Confident	81.8	Confident	4 Å²	4	52.1 Å²	52.1	3%	0.027	32%	0.318	C	S	.	.	S	Bend	trans	-118.7	155.4	-173.4	-52.2	0	0	0	0	110.1	Q612 C614 C623	C605-Q612 HydrophobicContact CB-CG 4.3Å; C605-C614 HydrophobicContact CB-CB 3.99Å; C605-C614 WeakPolarHBondContact SG-CB 3.17Å; C605-C614 VanDerWaalsContact SG-SG 3.66Å; C605-C623 WeakPolarHBondContact CA-SG 3.26Å; C605-C623 HydrophobicContact CB-CB 3.72Å; C605-C623 WeakPolarHBondContact CB-SG 3.48Å; C605-C623 WeakPolarHBondContact SG-CA 3.5Å; C605-C623 WeakPolarHBondContact SG-CB 3.16Å; C605-C623 CovalentContact SG-SG 2.03Å; C605-C623 PolarHBondContact SG-SG 2.84Å
606	Y	86.4	Confident	81.9	Confident	63 Å²	63	53.5 Å²	53.5	25%	0.247	33%	0.325	C	S	.	.			trans	-60.8	154	-179.4	-167.3	-100	0	0	0	111.4	V608 R613 P627 Y630 C650	Y606-V608 HydrophobicContact CD1-CG2 4.03Å; Y606-V608 HydrophobicContact CE1-CG2 4.11Å; Y606-R613 PolarHBondContact O-N 3.45Å; Y606-R613 VanDerWaalsContact O-N 3.15Å; Y606-P627 HydrophobicContact CD1-CG 4Å; Y606-P627 HydrophobicContact CE1-CG 4.02Å; Y606-Y630 WeakPolarHBondContact OH-CE1 3.44Å; Y606-C650 HydrophobicContact CD1-CB 4.39Å; Y606-C650 HydrophobicContact CD2-CB 3.67Å; Y606-C650 HydrophobicContact CE2-CB 3.99Å; Y606-C650 HydrophobicContact CG-CB 3.88Å
607	K	81.1	Confident	81.9	Confident	92 Å²	92	53.8 Å²	53.8	40%	0.4	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	133.6	-175.5	-61.9	-171	-179.4	-173.1	0	111.3	S602 A611 Q612	S602-K607 WeakPolarHBondContact O-CE 3.17Å; S602-K607 PolarHBondContact O-NZ 2.83Å; K607-A611 WeakPolarHBondContact CA-O 3.26Å; K607-Q612 HydrophobicContact CG-CB 4.47Å
608	V	69.3	Low	81.8	Confident	39 Å²	39	59.9 Å²	59.9	24%	0.236	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.9	174.6	-176.3	0	0	0	0	106.3	Y606 G610 A611 P627	Y606-V608 HydrophobicContact CD1-CG2 4.03Å; Y606-V608 HydrophobicContact CE1-CG2 4.11Å; V608-G610 PolarHBondContact O-N 3.26Å; V608-G610 VanDerWaalsContact O-N 3.1Å; V608-A611 PolarHBondContact N-O 3.31Å; V608-A611 PolarHBondContact O-N 3.1Å; V608-P627 HydrophobicContact CG2-CB 4.04Å; V608-P627 HydrophobicContact CG2-CG 3.75Å
609	G	63.5	Low	81.7	Confident	88 Å²	88	61.5 Å²	61.5	91%	0.907	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	27.5	-171.5	0	0	0	0	0	114	A611	G609-A611 PolarHBondContact O-N 3.14Å; G609-A611 VanDerWaalsContact O-N 3.11Å
610	G	64.4	Low	81.8	Confident	65 Å²	65	55.4 Å²	55.4	67%	0.67	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.9	-10.9	-172.6	0	0	0	0	0	116.2	V608	V608-G610 PolarHBondContact O-N 3.26Å; V608-G610 VanDerWaalsContact O-N 3.1Å
611	A	69	Low	82.2	Confident	64 Å²	64	50.7 Å²	50.7	53%	0.529	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	141.3	178.3	0	0	0	0	0	112.1	K607 V608 G609	K607-A611 WeakPolarHBondContact CA-O 3.26Å; V608-A611 PolarHBondContact N-O 3.31Å; V608-A611 PolarHBondContact O-N 3.1Å; G609-A611 PolarHBondContact O-N 3.14Å; G609-A611 VanDerWaalsContact O-N 3.11Å
612	Q	76.4	Confident	82.6	Confident	50 Å²	50	53.3 Å²	53.3	23%	0.234	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	120.8	-177.5	176.9	175.6	-19.5	0	0	111.7	V601 S602 C605 K607 C614	V601-Q612 PolarHBondContact O-NE2 3.15Å; S602-Q612 PolarHBondContact O-OE1 2.95Å; C605-Q612 HydrophobicContact CB-CG 4.3Å; K607-Q612 HydrophobicContact CG-CB 4.47Å; Q612-C614 HydrophobicContact CG-CB 3.76Å; Q612-C614 PolarHBondContact O-N 3.33Å
613	R	83.8	Confident	83.3	Confident	76 Å²	76	49.5 Å²	49.5	29%	0.287	30%	0.301	S	S	.	.			trans	-80.7	50.4	-177.6	-64	177.8	73.9	104.1	-9.4	113	Y606 L624	Y606-R613 PolarHBondContact O-N 3.45Å; Y606-R613 VanDerWaalsContact O-N 3.15Å; R613-L624 HydrophobicContact CB-CB 4.19Å; R613-L624 HydrophobicContact CB-CD1 4.15Å; R613-L624 HydrophobicContact CB-CG 4.42Å; R613-L624 PolarHBondContact O-N 2.98Å
614	C	89	Confident	83.5	Confident	23 Å²	23	48.8 Å²	48.8	16%	0.155	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.8	-177.7	-172.1	0	0	0	0	111.3	C598 C605 Q612	C598-C614 VanDerWaalsContact CA-SG 3.54Å; C598-C614 HydrophobicContact CB-CB 3.65Å; C598-C614 WeakPolarHBondContact CB-SG 3.28Å; C598-C614 WeakPolarHBondContact SG-CB 3.38Å; C598-C614 CovalentContact SG-SG 2.04Å; C598-C614 PolarHBondContact SG-SG 3.15Å; C605-C614 HydrophobicContact CB-CB 3.99Å; C605-C614 WeakPolarHBondContact SG-CB 3.17Å; C605-C614 VanDerWaalsContact SG-SG 3.66Å; Q612-C614 HydrophobicContact CG-CB 3.76Å; Q612-C614 PolarHBondContact O-N 3.33Å
615	V	90.4	Very high	83.6	Confident	53 Å²	53	52.1 Å²	52.1	32%	0.321	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	120.7	179.5	-177.7	0	0	0	0	109.5	H622 L624	V615-H622 VanDerWaalsContact CG1-CE1 3.44Å; V615-H622 WeakPolarHBondContact CG1-CE1 2.96Å; V615-H622 PolarHBondContact N-O 3.01Å; V615-H622 PolarHBondContact O-N 3.08Å; V615-L624 HydrophobicContact CG2-CD2 3.78Å; V615-L624 HydrophobicContact CG2-CG 4.08Å
616	N	90.2	Very high	83.6	Confident	50 Å²	50	53 Å²	53	27%	0.267	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	148.3	174.8	-163.2	63.9	0	0	0	111.8	D594 I595 N596 E597 G620	D594-N616 PolarHBondContact OD2-ND2 3.32Å; I595-N616 PolarHBondContact O-OD1 3.09Å; N596-N616 VanDerWaalsContact CA-OD1 3.32Å; N596-N616 WeakPolarHBondContact CA-OD1 3.37Å; N596-N616 PolarHBondContact OD1-OD1 2.88Å; E597-N616 PolarHBondContact N-OD1 3.39Å; N616-G620 PolarHBondContact OD1-O 3.02Å
617	T	89.1	Confident	83.4	Confident	53 Å²	53	50.3 Å²	50.3	33%	0.325	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	153.9	-177.7	45	0	0	0	0	110.2	P619 G620	T617-P619 CarbonylContact O-C 3.42Å; T617-P619 WeakPolarHBondContact O-CA 3.29Å; T617-G620 CarbonylContact C-O 3.43Å; T617-G620 WeakPolarHBondContact CA-O 3.46Å; T617-G620 PolarHBondContact N-O 3Å; T617-G620 PolarHBondContact O-N 3.29Å; T617-G620 PolarHBondContact OG1-O 2.98Å
618	D	86.6	Confident	83.4	Confident	128 Å²	128	50.5 Å²	50.5	68%	0.684	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	97.5	176.6	-176	-3.3	0	0	0	109.2
619	P	85.2	Confident	84	Confident	48 Å²	48	49.6 Å²	49.6	31%	0.312	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	cis	-99.9	155.5	-3.2	36.8	-31.7	0	0	0	114.9	F585 T617 M638	F585-P619 HydrophobicContact CD2-CB 4.26Å; F585-P619 HydrophobicContact CE1-CB 4.49Å; F585-P619 HydrophobicContact CE2-CB 3.53Å; F585-P619 HydrophobicContact CE2-CG 3.88Å; F585-P619 HydrophobicContact CZ-CB 3.66Å; F585-P619 HydrophobicContact CZ-CG 4.09Å; T617-P619 CarbonylContact O-C 3.42Å; T617-P619 WeakPolarHBondContact O-CA 3.29Å; P619-M638 HydrophobicContact CG-SD 4.05Å
620	G	88.6	Confident	85	Confident	0 Å²	0	48 Å²	48	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	102.5	-163	168.6	0	0	0	0	0	114.9	E597 N616 T617 G637	E597-G620 VanDerWaalsContact OE2-C 3.25Å; E597-G620 WeakPolarHBondContact OE2-CA 3.32Å; N616-G620 PolarHBondContact OD1-O 3.02Å; T617-G620 CarbonylContact C-O 3.43Å; T617-G620 WeakPolarHBondContact CA-O 3.46Å; T617-G620 PolarHBondContact N-O 3Å; T617-G620 PolarHBondContact O-N 3.29Å; T617-G620 PolarHBondContact OG1-O 2.98Å; G620-G637 CarbonylContact C-O 3.6Å; G620-G637 WeakPolarHBondContact CA-O 3.49Å
621	F	91.7	Very high	86.1	Confident	3 Å²	3	48.9 Å²	48.9	1%	0.013	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	160.8	179.6	76.1	-79.9	0	0	0	112.8	E597 V604 P635 F636 G637 A642 A643	E597-F621 HydrophobicContact CB-CB 4.18Å; E597-F621 HydrophobicContact CB-CD1 3.97Å; E597-F621 HydrophobicContact CB-CG 4.27Å; E597-F621 HydrophobicContact CG-CD1 4.3Å; E597-F621 WeakPolarHBondContact OE2-CD1 3.34Å; E597-F621 PolarHBondContact OE2-N 3.47Å; V604-F621 HydrophobicContact CG1-CD2 3.79Å; V604-F621 HydrophobicContact CG1-CE2 3.33Å; V604-F621 HydrophobicContact CG1-CZ 3.96Å; F621-P635 HydrophobicContact CE2-CB 4.44Å; F621-F636 WeakPolarHBondContact O-CA 3.16Å; F621-G637 WeakPolarHBondContact CD1-O 3.36Å; F621-G637 PolarHBondContact N-O 2.64Å; F621-G637 PolarHBondContact O-N 2.93Å; F621-A642 HydrophobicContact CE1-CB 4.37Å; F621-A643 HydrophobicContact CD1-CB 4.03Å; F621-A643 HydrophobicContact CE1-CB 3.61Å; F621-A643 HydrophobicContact CZ-CB 4Å
622	H	92.4	Very high	86.9	Confident	62 Å²	62	48.3 Å²	48.3	29%	0.287	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	151.8	159.1	63.8	-73.8	0	0	0	111.3	V615 F636	V615-H622 VanDerWaalsContact CG1-CE1 3.44Å; V615-H622 WeakPolarHBondContact CG1-CE1 2.96Å; V615-H622 PolarHBondContact N-O 3.01Å; V615-H622 PolarHBondContact O-N 3.08Å; H622-F636 HydrophobicContact CB-CB 3.86Å
623	C	92	Very high	87.5	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	151.8	166.4	-59.9	0	0	0	0	110.5	C605 Q634 P635	C605-C623 WeakPolarHBondContact CA-SG 3.26Å; C605-C623 HydrophobicContact CB-CB 3.72Å; C605-C623 WeakPolarHBondContact CB-SG 3.48Å; C605-C623 WeakPolarHBondContact SG-CA 3.5Å; C605-C623 WeakPolarHBondContact SG-CB 3.16Å; C605-C623 CovalentContact SG-SG 2.03Å; C605-C623 PolarHBondContact SG-SG 2.84Å; C623-Q634 VanDerWaalsContact O-CG 3.31Å; C623-Q634 WeakPolarHBondContact O-CG 3.34Å; C623-Q634 PolarHBondContact O-NE2 2.77Å; C623-P635 PolarHBondContact N-O 3.4Å
624	L	88.9	Confident	87.9	Confident	63 Å²	63	49.9 Å²	49.9	33%	0.33	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-64.5	160.5	158.1	-62.9	-178.1	0	0	0	109.6	R613 V615 Q648	R613-L624 HydrophobicContact CB-CB 4.19Å; R613-L624 HydrophobicContact CB-CD1 4.15Å; R613-L624 HydrophobicContact CB-CG 4.42Å; R613-L624 PolarHBondContact O-N 2.98Å; V615-L624 HydrophobicContact CG2-CD2 3.78Å; V615-L624 HydrophobicContact CG2-CG 4.08Å; L624-Q648 PolarHBondContact O-NE2 2.92Å
625	P	89.4	Confident	88	Confident	71 Å²	71	49.4 Å²	49.4	46%	0.461	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-56.7	162.4	166.5	27.2	-36.5	0	0	0	110.8
626	C	87.5	Confident	88.1	Confident	22 Å²	22	54.4 Å²	54.4	15%	0.149	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-53	147.9	169.4	-64.3	0	0	0	0	110.4	Y630 C650	C626-Y630 WeakPolarHBondContact CB-O 3.36Å; C626-C650 VanDerWaalsContact CA-SG 3.53Å; C626-C650 HydrophobicContact CB-CB 3.84Å; C626-C650 WeakPolarHBondContact CB-SG 3.17Å; C626-C650 WeakPolarHBondContact SG-CB 3.16Å; C626-C650 CovalentContact SG-SG 2.04Å; C626-C650 PolarHBondContact SG-SG 2.9Å
627	P	83.4	Confident	88	Confident	7 Å²	7	52.9 Å²	52.9	5%	0.045	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-59.9	167.9	172.4	26	-33.3	0	0	0	111.5	Y606 V608 Y630 G929	Y606-P627 HydrophobicContact CD1-CG 4Å; Y606-P627 HydrophobicContact CE1-CG 4.02Å; V608-P627 HydrophobicContact CG2-CB 4.04Å; V608-P627 HydrophobicContact CG2-CG 3.75Å; P627-Y630 HydrophobicContact CB-CD2 4.48Å; P627-Y630 HydrophobicContact CG-CD2 3.66Å; P627-Y630 HydrophobicContact CG-CE2 4.39Å; P627-Y630 HydrophobicContact CG-CG 4.14Å; P627-Y630 PolarHBondContact O-N 2.81Å; P627-Y630 VanDerWaalsContact O-O 3.13Å; P627-G929 WeakPolarHBondContact CB-O 3.3Å
628	K	81.2	Confident	88	Confident	96 Å²	96	55.9 Å²	55.9	42%	0.417	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	153.9	169.1	-78.2	174.7	160.1	-156.5	0	110.4	Y630 D928 D930	K628-Y630 WeakPolarHBondContact O-CD2 3.48Å; K628-Y630 PolarHBondContact O-N 3.01Å; K628-D928 WeakPolarHBondContact CD-OD1 3.27Å; K628-D928 VanDerWaalsContact CE-OD1 3.25Å; K628-D928 WeakPolarHBondContact CE-OD1 3.43Å; K628-D928 IonicContact NZ-OD1 3.22Å; K628-D928 PolarHBondContact NZ-OD1 2.82Å; K628-D928 IonicContact NZ-OD2 3.1Å; K628-D928 PolarHBondContact NZ-OD2 2.78Å; K628-D930 HydrophobicContact CB-CB 3.6Å; K628-D930 HydrophobicContact CD-CB 3.63Å; K628-D930 HydrophobicContact CG-CB 4.34Å
629	R	81.8	Confident	87.9	Confident	19 Å²	19	50.2 Å²	50.2	7%	0.072	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	-4.2	-175.7	-51.1	160.2	-178.9	-61.3	-10	114.8	E653 H674 F675 S676 D677 M679 D930	R629-E653 WeakPolarHBondContact O-CB 3.42Å; R629-E653 PolarHBondContact O-N 2.84Å; R629-H674 WeakPolarHBondContact CD-O 3.33Å; R629-H674 PolarHBondContact NH1-O 3.19Å; R629-H674 PolarHBondContact O-NE2 3.27Å; R629-F675 PolarHBondContact NH1-O 3.01Å; R629-F675 PolarHBondContact NH2-O 3.31Å; R629-S676 PolarHBondContact NH1-O 2.85Å; R629-D677 IonicContact NH2-OD2 2.79Å; R629-M679 HydrophobicContact CB-CE 3.83Å; R629-M679 HydrophobicContact CB-SD 4.02Å; R629-M679 HydrophobicContact CG-CE 4.21Å; R629-M679 HydrophobicContact CG-SD 3.9Å; R629-D930 WeakPolarHBondContact CD-O 3.44Å; R629-D930 HydrophobicContact CG-CB 4.43Å; R629-D930 IonicContact CZ-OD1 2.58Å; R629-D930 IonicContact CZ-OD2 3.23Å; R629-D930 VanDerWaalsContact CZ-OD2 3.28Å; R629-D930 IonicContact NE-OD1 3.83Å; R629-D930 PolarHBondContact NE-OD1 3.21Å; R629-D930 VanDerWaalsContact NE-OD1 3.1Å; R629-D930 IonicContact NE-OD2 2.94Å; R629-D930 PolarHBondContact NE-OD2 2.85Å; R629-D930 IonicContact NH2-OD1 2.84Å; R629-D930 IonicContact NH2-OD2 2.79Å; R629-D930 PolarHBondContact NH2-OD2 2.72Å
630	Y	84.8	Confident	87.9	Confident	56 Å²	56	49.2 Å²	49.2	22%	0.22	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	144.6	177.1	-68.5	-92.3	0	0	0	113.1	Y606 C626 P627 K628 C650 E651 P652 H674	Y606-Y630 WeakPolarHBondContact OH-CE1 3.44Å; C626-Y630 WeakPolarHBondContact CB-O 3.36Å; P627-Y630 HydrophobicContact CB-CD2 4.48Å; P627-Y630 HydrophobicContact CG-CD2 3.66Å; P627-Y630 HydrophobicContact CG-CE2 4.39Å; P627-Y630 HydrophobicContact CG-CG 4.14Å; P627-Y630 PolarHBondContact O-N 2.81Å; P627-Y630 VanDerWaalsContact O-O 3.13Å; K628-Y630 WeakPolarHBondContact O-CD2 3.48Å; K628-Y630 PolarHBondContact O-N 3.01Å; Y630-C650 HydrophobicContact CD1-CB 4.46Å; Y630-E651 CarbonylContact C-O 3.52Å; Y630-E651 WeakPolarHBondContact CA-O 3.15Å; Y630-P652 HydrophobicContact CD1-CB 4.3Å; Y630-P652 HydrophobicContact CE1-CB 4.08Å; Y630-H674 AromaticContact CE2-CE1 3.41Å; Y630-H674 VanDerWaalsContact CE2-CE1 3.41Å; Y630-H674 WeakPolarHBondContact CE2-CE1 3.47Å; Y630-H674 AromaticContact CE2-NE2 3.71Å; Y630-H674 AromaticContact CZ-CE1 3.48Å; Y630-H674 VanDerWaalsContact CZ-CE1 3.48Å; Y630-H674 AromaticContact CZ-NE2 3.63Å; Y630-H674 PolarHBondContact OH-CE1 2.99Å
631	K	85.9	Confident	87.7	Confident	82 Å²	82	57.5 Å²	57.5	36%	0.357	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	140.5	-173	-166.6	177.1	-160.3	155.1	0	110.1	C650 E651 E653 E658	K631-C650 CarbonylContact O-C 3.48Å; K631-C650 WeakPolarHBondContact O-CA 3.02Å; K631-E651 PolarHBondContact N-O 3.47Å; K631-E651 PolarHBondContact O-N 2.75Å; K631-E653 HydrophobicContact CB-CB 4.43Å; K631-E653 IonicContact NZ-OE1 2.6Å; K631-E653 PolarHBondContact NZ-OE1 2.9Å; K631-E658 WeakPolarHBondContact CD-OE2 3.5Å; K631-E658 WeakPolarHBondContact CE-OE2 2.99Å; K631-E658 IonicContact NZ-OE1 3.51Å; K631-E658 IonicContact NZ-OE2 3.48Å; K631-E658 PolarHBondContact NZ-OE2 3.07Å
632	G	87.6	Confident	87.5	Confident	52 Å²	52	58.6 Å²	58.6	54%	0.536	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	166.2	-163.8	-174.5	0	0	0	0	0	115.4	V649	G632-V649 VanDerWaalsContact CA-O 3.26Å; G632-V649 WeakPolarHBondContact CA-O 3.29Å
633	T	89.1	Confident	87.1	Confident	57 Å²	57	55.7 Å²	55.7	35%	0.35	30%	0.297	S	S	.	.			trans	-81.1	158.4	-176.2	58.4	0	0	0	0	112	Q648 V649	T633-Q648 WeakPolarHBondContact O-CG 3.41Å; T633-Q648 PolarHBondContact O-NE2 2.95Å; T633-V649 PolarHBondContact N-O 2.71Å; T633-V649 VanDerWaalsContact N-O 3.16Å; T633-V649 PolarHBondContact OG1-N 2.92Å
634	Q	91.7	Very high	86.8	Confident	102 Å²	102	63.4 Å²	63.4	48%	0.477	33%	0.326	S	S	.	.			trans	-122.8	87.2	169.1	-170.1	-179.2	2.3	0	0	109.8	C623	C623-Q634 VanDerWaalsContact O-CG 3.31Å; C623-Q634 WeakPolarHBondContact O-CG 3.34Å; C623-Q634 PolarHBondContact O-NE2 2.77Å
635	P	91	Very high	86.7	Confident	13 Å²	13	68.7 Å²	68.7	8%	0.084	35%	0.346	C	S	.	.			trans	-64.9	146.1	-178.8	-20.4	30.1	0	0	0	113.8	F621 C623 N646 Q648	F621-P635 HydrophobicContact CE2-CB 4.44Å; C623-P635 PolarHBondContact N-O 3.4Å; P635-N646 HydrophobicContact CB-CB 4.31Å; P635-N646 WeakPolarHBondContact CB-O 3.15Å; P635-Q648 HydrophobicContact CG-CB 3.83Å
636	F	91.1	Very high	86.6	Confident	159 Å²	159	68.6 Å²	68.6	70%	0.697	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.5	160.4	166.2	63.8	-85.2	0	0	0	109.4	F621 H622	F621-F636 WeakPolarHBondContact O-CA 3.16Å; H622-F636 HydrophobicContact CB-CB 3.86Å
637	G	89.2	Confident	86.6	Confident	17 Å²	17	71.6 Å²	71.6	18%	0.175	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.5	178.3	178.8	0	0	0	0	0	113.6	G620 F621	G620-G637 CarbonylContact C-O 3.6Å; G620-G637 WeakPolarHBondContact CA-O 3.49Å; F621-G637 WeakPolarHBondContact CD1-O 3.36Å; F621-G637 PolarHBondContact N-O 2.64Å; F621-G637 PolarHBondContact O-N 2.93Å
638	M	89	Confident	87	Confident	116 Å²	116	72 Å²	72	57%	0.571	35%	0.354	S	S	*	.	S	Bend	trans	-127.8	131.1	173	-67.4	172.2	-76.4	0	0	108.5	P619	P619-M638 HydrophobicContact CG-SD 4.05Å
639	G	85	Confident	87.4	Confident	10 Å²	10	71.5 Å²	71.5	10%	0.103	36%	0.359	C	S	.	.	S	Bend	trans	91.7	140.1	-179.8	0	0	0	0	0	113.9	E597 E641 A642 A643	E597-G639 VanDerWaalsContact OE1-C 3.26Å; E597-G639 WeakPolarHBondContact OE1-CA 3.23Å; E597-G639 PolarHBondContact OE1-N 3Å; G639-E641 PolarHBondContact O-N 2.89Å; G639-A642 WeakPolarHBondContact O-CB 3.12Å; G639-A642 PolarHBondContact O-N 2.78Å; G639-A643 PolarHBondContact O-N 3.14Å
640	V	84.6	Confident	87.7	Confident	26 Å²	26	71.2 Å²	71.2	16%	0.158	36%	0.359	C	S	.	.	H	α-helix	trans	-50.8	-29.6	177.9	-175.8	0	0	0	0	113.8	I595 E597 M600 V601 R644	I595-V640 HydrophobicContact CG2-CG2 3.78Å; E597-V640 HydrophobicContact CG-CB 4.5Å; E597-V640 HydrophobicContact CG-CG2 3.98Å; E597-V640 PolarHBondContact OE1-N 2.93Å; M600-V640 HydrophobicContact CB-CG2 4.35Å; M600-V640 HydrophobicContact CE-CG2 4.09Å; M600-V640 HydrophobicContact SD-CG2 3.99Å; V601-V640 HydrophobicContact CG2-CG1 3.82Å; V640-R644 VanDerWaalsContact O-CG 3.31Å; V640-R644 WeakPolarHBondContact O-CG 3.39Å; V640-R644 PolarHBondContact O-N 2.9Å
641	E	85.2	Confident	87.7	Confident	175 Å²	175	75 Å²	75	82%	0.818	38%	0.379	S	S	*	.	H	α-helix	trans	-72.3	-35.3	177.3	-62.7	-166.4	163.2	0	0	112.9	G639 K645	G639-E641 PolarHBondContact O-N 2.89Å; E641-K645 PolarHBondContact O-N 2.81Å
642	A	85.8	Confident	87.7	Confident	26 Å²	26	74.8 Å²	74.8	22%	0.215	39%	0.386	C	S	.	.	H	α-helix	trans	-67.7	-45.4	172.2	0	0	0	0	0	110.4	F621 G639 R644 K645 N646	F621-A642 HydrophobicContact CE1-CB 4.37Å; G639-A642 WeakPolarHBondContact O-CB 3.12Å; G639-A642 PolarHBondContact O-N 2.78Å; A642-R644 VanDerWaalsContact C-N 3.29Å; A642-R644 PolarHBondContact O-N 3.39Å; A642-K645 PolarHBondContact O-N 2.83Å; A642-K645 VanDerWaalsContact O-N 3.1Å; A642-N646 WeakPolarHBondContact O-CB 3.28Å; A642-N646 PolarHBondContact O-N 2.81Å
643	A	85	Confident	87.6	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-57.1	-38.7	176.6	0	0	0	0	0	113.1	E597 V601 V604 F621 G639	E597-A643 HydrophobicContact CB-CB 4.04Å; E597-A643 HydrophobicContact CG-CB 4.19Å; V601-A643 HydrophobicContact CB-CB 4.37Å; V601-A643 HydrophobicContact CG2-CB 4.02Å; V604-A643 HydrophobicContact CG1-CB 4.45Å; V604-A643 HydrophobicContact CG2-CB 3.83Å; F621-A643 HydrophobicContact CD1-CB 4.03Å; F621-A643 HydrophobicContact CE1-CB 3.61Å; F621-A643 HydrophobicContact CZ-CB 4Å; G639-A643 PolarHBondContact O-N 3.14Å
644	R	85.8	Confident	87.6	Confident	162 Å²	162	72.9 Å²	72.9	61%	0.611	36%	0.36	S	S	*	.	H	α-helix	trans	-72.1	-26	177.3	-75.6	175.6	178.1	-162.4	-2.8	114.4	V601 V640 A642	V601-R644 HydrophobicContact CG1-CG 4.06Å; V601-R644 HydrophobicContact CG2-CG 3.75Å; V640-R644 VanDerWaalsContact O-CG 3.31Å; V640-R644 WeakPolarHBondContact O-CG 3.39Å; V640-R644 PolarHBondContact O-N 2.9Å; A642-R644 VanDerWaalsContact C-N 3.29Å; A642-R644 PolarHBondContact O-N 3.39Å
645	K	86.6	Confident	87.5	Confident	174 Å²	174	68.6 Å²	68.6	76%	0.757	34%	0.341	S	S	*	.	H	α-helix	trans	-93.4	-44	-176.3	-171.2	-171.7	176.1	-166.9	0	112.1	E641 A642 K647	E641-K645 PolarHBondContact O-N 2.81Å; A642-K645 PolarHBondContact O-N 2.83Å; A642-K645 VanDerWaalsContact O-N 3.1Å; K645-K647 PolarHBondContact O-N 3.02Å
646	N	86.8	Confident	87.5	Confident	69 Å²	69	69.1 Å²	69.1	37%	0.369	34%	0.344	S	S	.	.	S	Bend	trans	-97.3	76	-172.7	-60.6	0.6	0	0	0	109.1	P635 A642	P635-N646 HydrophobicContact CB-CB 4.31Å; P635-N646 WeakPolarHBondContact CB-O 3.15Å; A642-N646 WeakPolarHBondContact O-CB 3.28Å; A642-N646 PolarHBondContact O-N 2.81Å
647	K	89	Confident	87.3	Confident	85 Å²	85	67.1 Å²	67.1	37%	0.37	34%	0.335	S	S	.	.			trans	-88.4	148.9	177.5	-64.8	-174.8	175	-176.6	0	111.6	D603 V604 K645	D603-K647 WeakPolarHBondContact O-CD 3.4Å; D603-K647 VanDerWaalsContact OD1-CE 3.25Å; D603-K647 WeakPolarHBondContact OD1-CE 3.28Å; D603-K647 IonicContact OD1-NZ 3.86Å; D603-K647 PolarHBondContact OD1-NZ 2.9Å; D603-K647 IonicContact OD2-NZ 2.68Å; D603-K647 PolarHBondContact OD2-NZ 2.92Å; V604-K647 CarbonylContact O-C 3.43Å; V604-K647 WeakPolarHBondContact O-CA 3.31Å; K645-K647 PolarHBondContact O-N 3.02Å
648	Q	90.9	Very high	87.2	Confident	17 Å²	17	70.1 Å²	70.1	8%	0.079	35%	0.345	C	S	.	.			trans	-77.8	129.2	176.2	-173.1	161.7	42	0	0	109.6	V604 L624 T633 P635	V604-Q648 WeakPolarHBondContact O-CB 3.29Å; V604-Q648 PolarHBondContact O-N 2.97Å; L624-Q648 PolarHBondContact O-NE2 2.92Å; T633-Q648 WeakPolarHBondContact O-CG 3.41Å; T633-Q648 PolarHBondContact O-NE2 2.95Å; P635-Q648 HydrophobicContact CG-CB 3.83Å
649	V	89.2	Confident	87.2	Confident	85 Å²	85	72.4 Å²	72.4	52%	0.515	35%	0.351	S	S	.	.			trans	-115.3	125.6	166.5	-177	0	0	0	0	106.1	G632 T633 E651	G632-V649 VanDerWaalsContact CA-O 3.26Å; G632-V649 WeakPolarHBondContact CA-O 3.29Å; T633-V649 PolarHBondContact N-O 2.71Å; T633-V649 VanDerWaalsContact N-O 3.16Å; T633-V649 PolarHBondContact OG1-N 2.92Å; V649-E651 HydrophobicContact CG1-CG 4.1Å
650	C	87.9	Confident	87.5	Confident	13 Å²	13	75.7 Å²	75.7	9%	0.088	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118	173	-63.9	0	0	0	0	106.7	Y606 C626 Y630 K631	Y606-C650 HydrophobicContact CD1-CB 4.39Å; Y606-C650 HydrophobicContact CD2-CB 3.67Å; Y606-C650 HydrophobicContact CE2-CB 3.99Å; Y606-C650 HydrophobicContact CG-CB 3.88Å; C626-C650 VanDerWaalsContact CA-SG 3.53Å; C626-C650 HydrophobicContact CB-CB 3.84Å; C626-C650 WeakPolarHBondContact CB-SG 3.17Å; C626-C650 WeakPolarHBondContact SG-CB 3.16Å; C626-C650 CovalentContact SG-SG 2.04Å; C626-C650 PolarHBondContact SG-SG 2.9Å; Y630-C650 HydrophobicContact CD1-CB 4.46Å; K631-C650 CarbonylContact O-C 3.48Å; K631-C650 WeakPolarHBondContact O-CA 3.02Å
651	E	85.9	Confident	87.8	Confident	135 Å²	135	77.3 Å²	77.3	63%	0.631	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	145.9	177.5	-59.8	-173.4	155.9	0	0	108.6	Y630 K631 V649 E653	Y630-E651 CarbonylContact C-O 3.52Å; Y630-E651 WeakPolarHBondContact CA-O 3.15Å; K631-E651 PolarHBondContact N-O 3.47Å; K631-E651 PolarHBondContact O-N 2.75Å; V649-E651 HydrophobicContact CG1-CG 4.1Å; E651-E653 PolarHBondContact O-N 2.84Å
652	P	84.9	Confident	88.2	Confident	77 Å²	77	73.9 Å²	73.9	50%	0.5	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	129.7	177.6	27.2	-33.8	0	0	0	110.2	Y630 H674	Y630-P652 HydrophobicContact CD1-CB 4.3Å; Y630-P652 HydrophobicContact CE1-CB 4.08Å; P652-H674 VanDerWaalsContact CB-CD2 3.48Å; P652-H674 WeakPolarHBondContact CB-CD2 3.26Å
653	E	86	Confident	88.6	Confident	55 Å²	55	73.4 Å²	73.4	26%	0.257	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-70.3	140	-179.1	-179.6	150.1	-135.7	0	0	110.6	R629 K631 E651 P655 M679	R629-E653 WeakPolarHBondContact O-CB 3.42Å; R629-E653 PolarHBondContact O-N 2.84Å; K631-E653 HydrophobicContact CB-CB 4.43Å; K631-E653 IonicContact NZ-OE1 2.6Å; K631-E653 PolarHBondContact NZ-OE1 2.9Å; E651-E653 PolarHBondContact O-N 2.84Å; E653-P655 HydrophobicContact CG-CG 4.33Å; E653-M679 HydrophobicContact CB-CE 4.38Å; E653-M679 WeakPolarHBondContact O-CE 3.29Å
654	N	88.9	Confident	89.1	Confident	14 Å²	14	75.8 Å²	75.8	8%	0.075	37%	0.369	C	S	.	.			trans	-142.5	92.4	175.4	-169.5	-64.7	0	0	0	110.4	C656 K657 E658 Y671	N654-C656 PolarHBondContact O-N 3.47Å; N654-C656 PolarHBondContact OD1-N 2.84Å; N654-K657 HydrophobicContact CB-CB 4.14Å; N654-K657 HydrophobicContact CB-CD 4.27Å; N654-K657 PolarHBondContact ND2-NZ 3.08Å; N654-K657 PolarHBondContact O-N 2.92Å; N654-K657 VanDerWaalsContact O-N 3.09Å; N654-K657 WeakPolarHBondContact OD1-CB 3.25Å; N654-K657 WeakPolarHBondContact OD1-CG 3.27Å; N654-K657 PolarHBondContact OD1-N 3.06Å; N654-E658 PolarHBondContact N-OE1 2.84Å; N654-E658 WeakPolarHBondContact O-CB 3.4Å; N654-E658 WeakPolarHBondContact O-CG 3.28Å; N654-E658 PolarHBondContact O-N 3.01Å; N654-Y671 HydrophobicContact CB-CE2 4.38Å; N654-Y671 WeakPolarHBondContact ND2-CD2 3.46Å; N654-Y671 WeakPolarHBondContact ND2-CE2 3.11Å; N654-Y671 VanDerWaalsContact ND2-CG 3.34Å; N654-Y671 VanDerWaalsContact ND2-CZ 3.28Å
655	P	89.8	Confident	89.4	Confident	12 Å²	12	73.2 Å²	73.2	8%	0.078	36%	0.362	C	S	.	.	H	α-helix	trans	-59.5	-25.6	-172.6	-29.2	38.1	0	0	0	115.1	E653 K659 T660 H661 Y680	E653-P655 HydrophobicContact CG-CG 4.33Å; P655-K659 WeakPolarHBondContact O-CA 3.38Å; P655-K659 PolarHBondContact O-N 2.95Å; P655-T660 WeakPolarHBondContact CA-OG1 3.34Å; P655-T660 PolarHBondContact O-N 3.49Å; P655-H661 HydrophobicContact CB-CB 4.43Å; P655-H661 PolarHBondContact O-CD2 2.94Å; P655-H661 PolarHBondContact O-N 3.36Å; P655-Y680 HydrophobicContact CB-CD1 3.72Å; P655-Y680 HydrophobicContact CB-CE1 3.62Å; P655-Y680 HydrophobicContact CB-CG 4.35Å; P655-Y680 HydrophobicContact CG-CD1 3.68Å; P655-Y680 HydrophobicContact CG-CE1 3.72Å
656	C	90.1	Very high	89.8	Confident	24 Å²	24	69.3 Å²	69.3	16%	0.162	34%	0.343	C	S	.	.	H	α-helix	trans	-74.6	-45.6	175.7	-54.3	0	0	0	0	112.5	N654 K659 C669	N654-C656 PolarHBondContact O-N 3.47Å; N654-C656 PolarHBondContact OD1-N 2.84Å; C656-K659 PolarHBondContact O-N 2.6Å; C656-C669 WeakPolarHBondContact CA-SG 3.33Å; C656-C669 HydrophobicContact CB-CB 3.67Å; C656-C669 WeakPolarHBondContact CB-SG 3.47Å; C656-C669 WeakPolarHBondContact SG-CB 3.47Å; C656-C669 PolarHBondContact SG-O 2.91Å; C656-C669 CovalentContact SG-SG 2.04Å; C656-C669 PolarHBondContact SG-SG 2.66Å
657	K	88.8	Confident	90.1	Very high	117 Å²	117	66.2 Å²	66.2	51%	0.509	33%	0.327	S	S	.	.	H	α-helix	trans	-73.1	-35.5	178.2	-67.9	167.6	-170.6	137	0	111.8	N654 E1178	N654-K657 HydrophobicContact CB-CB 4.14Å; N654-K657 HydrophobicContact CB-CD 4.27Å; N654-K657 PolarHBondContact ND2-NZ 3.08Å; N654-K657 PolarHBondContact O-N 2.92Å; N654-K657 VanDerWaalsContact O-N 3.09Å; N654-K657 WeakPolarHBondContact OD1-CB 3.25Å; N654-K657 WeakPolarHBondContact OD1-CG 3.27Å; N654-K657 PolarHBondContact OD1-N 3.06Å; K657-E1178 IonicContact NZ-OE1 2.71Å; K657-E1178 PolarHBondContact NZ-OE1 3.41Å; K657-E1178 IonicContact NZ-OE2 2.79Å; K657-E1178 PolarHBondContact NZ-OE2 2.77Å
658	E	87.1	Confident	90.3	Very high	80 Å²	80	66 Å²	66	37%	0.374	33%	0.327	S	S	.	.	H	α-helix	trans	-79	-16.7	175.5	-67.9	-178.2	-115.1	0	0	114	K631 N654 T660	K631-E658 WeakPolarHBondContact CD-OE2 3.5Å; K631-E658 WeakPolarHBondContact CE-OE2 2.99Å; K631-E658 IonicContact NZ-OE1 3.51Å; K631-E658 IonicContact NZ-OE2 3.48Å; K631-E658 PolarHBondContact NZ-OE2 3.07Å; N654-E658 PolarHBondContact N-OE1 2.84Å; N654-E658 WeakPolarHBondContact O-CB 3.4Å; N654-E658 WeakPolarHBondContact O-CG 3.28Å; N654-E658 PolarHBondContact O-N 3.01Å; E658-T660 VanDerWaalsContact C-N 3.3Å; E658-T660 HydrophobicContact CB-CG2 4.15Å; E658-T660 PolarHBondContact O-N 3.49Å
659	K	88.5	Confident	90.4	Very high	164 Å²	164	66.2 Å²	66.2	71%	0.713	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	37.3	-175.4	-53.1	-179.9	-177.4	179.6	0	113.5	P655 C656	P655-K659 WeakPolarHBondContact O-CA 3.38Å; P655-K659 PolarHBondContact O-N 2.95Å; C656-K659 PolarHBondContact O-N 2.6Å
660	T	90.6	Very high	90.3	Very high	79 Å²	79	63.7 Å²	63.7	49%	0.485	31%	0.314	S	S	.	.			trans	-95.1	-1.9	172.7	52	0	0	0	0	112.8	P655 E658	P655-T660 WeakPolarHBondContact CA-OG1 3.34Å; P655-T660 PolarHBondContact O-N 3.49Å; E658-T660 VanDerWaalsContact C-N 3.3Å; E658-T660 HydrophobicContact CB-CG2 4.15Å; E658-T660 PolarHBondContact O-N 3.49Å
661	H	92.1	Very high	90.3	Very high	60 Å²	60	64.9 Å²	64.9	28%	0.278	32%	0.317	S	S	.	.			trans	-64.1	154.8	174.8	67.7	77.9	0	0	0	113.6	P655 C663 C669 Y680	P655-H661 HydrophobicContact CB-CB 4.43Å; P655-H661 PolarHBondContact O-CD2 2.94Å; P655-H661 PolarHBondContact O-N 3.36Å; H661-C663 PolarHBondContact ND1-N 2.89Å; H661-C669 HydrophobicContact CB-CB 4.26Å; H661-C669 WeakPolarHBondContact CB-SG 3.42Å; H661-Y680 HydrophobicContact CB-CD2 4.23Å; H661-Y680 HydrophobicContact CB-CE2 3.58Å
662	N	93.1	Very high	90.1	Very high	104 Å²	104	59.7 Å²	59.7	56%	0.556	29%	0.293	S	S	*	.			trans	-104.2	12.5	176.5	65.4	-43.1	0	0	0	114.5	Y680 F693	N662-Y680 PolarHBondContact OD1-OH 3.37Å; N662-F693 WeakPolarHBondContact ND2-CD1 3.48Å; N662-F693 WeakPolarHBondContact ND2-CE1 3.41Å; N662-F693 WeakPolarHBondContact OD1-CE1 3.48Å
663	C	93.4	Very high	89.8	Confident	16 Å²	16	57.4 Å²	57.4	11%	0.108	28%	0.279	C	S	.	.			trans	-55.7	151.7	175	-47.4	0	0	0	0	113.6	H661 A667 C682	H661-C663 PolarHBondContact ND1-N 2.89Å; C663-A667 HydrophobicContact CB-CB 3.99Å; C663-C682 WeakPolarHBondContact CA-SG 3.11Å; C663-C682 HydrophobicContact CB-CB 3.61Å; C663-C682 WeakPolarHBondContact CB-SG 3.03Å; C663-C682 WeakPolarHBondContact SG-CB 3.26Å; C663-C682 CovalentContact SG-SG 2.03Å; C663-C682 PolarHBondContact SG-SG 3.25Å
664	H	94.9	Very high	89.6	Confident	50 Å²	50	55.7 Å²	55.7	23%	0.231	27%	0.271	C	S	.	.			trans	-60.2	158.4	-177.1	-163.8	-125.1	0	0	0	114.8	Y666 A667 G692 F693 C695	H664-Y666 AromaticContact CE1-CD2 3.7Å; H664-Y666 AromaticContact ND1-CD2 3.94Å; H664-Y666 PolarHBondContact ND1-N 3.27Å; H664-Y666 PolarHBondContact O-N 2.85Å; H664-A667 HydrophobicContact CB-CB 3.8Å; H664-A667 PolarHBondContact O-N 2.96Å; H664-G692 WeakPolarHBondContact CB-O 3.49Å; H664-G692 PolarHBondContact N-O 3.42Å; H664-F693 WeakPolarHBondContact CB-O 3.37Å; H664-F693 PolarHBondContact CD2-O 3.47Å; H664-C695 PolarHBondContact CE1-O 3.03Å; H664-C695 VanDerWaalsContact CE1-O 3.31Å; H664-C695 WeakPolarHBondContact ND1-CB 3.44Å; H664-C695 PolarHBondContact ND1-N 2.81Å
665	K	93.1	Very high	89	Confident	108 Å²	108	58.7 Å²	58.7	47%	0.47	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-27.9	174.1	-174.5	169.6	178.6	168.1	0	112.7	E144 D145	E144-K665 IonicContact OE2-NZ 3.78Å; E144-K665 PolarHBondContact OE2-NZ 3.26Å; D145-K665 IonicContact OD2-NZ 3.83Å; D145-K665 PolarHBondContact OD2-NZ 2.84Å
666	Y	94	Very high	88.4	Confident	92 Å²	92	58.1 Å²	58.1	36%	0.361	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	15	177	-51.4	-51	0	0	0	114.4	H664 R685 Y688	H664-Y666 AromaticContact CE1-CD2 3.7Å; H664-Y666 AromaticContact ND1-CD2 3.94Å; H664-Y666 PolarHBondContact ND1-N 3.27Å; H664-Y666 PolarHBondContact O-N 2.85Å; Y666-R685 WeakPolarHBondContact O-CB 3.42Å; Y666-R685 WeakPolarHBondContact O-CG 3.35Å; Y666-R685 PolarHBondContact O-N 3.28Å; Y666-Y688 HydrophobicContact CD1-CE1 4.14Å; Y666-Y688 HydrophobicContact CD1-CE2 4.31Å; Y666-Y688 AromaticContact CD1-CZ 3.83Å; Y666-Y688 AromaticContact CD2-CD1 3.82Å; Y666-Y688 HydrophobicContact CD2-CD1 3.82Å; Y666-Y688 AromaticContact CD2-CE1 3.42Å; Y666-Y688 HydrophobicContact CD2-CE1 3.42Å; Y666-Y688 VanDerWaalsContact CD2-CE1 3.42Å; Y666-Y688 AromaticContact CD2-CZ 3.99Å; Y666-Y688 AromaticContact CE2-CE1 3.91Å; Y666-Y688 HydrophobicContact CE2-CE1 3.91Å; Y666-Y688 AromaticContact CG-CD1 3.94Å; Y666-Y688 HydrophobicContact CG-CD1 3.94Å; Y666-Y688 AromaticContact CG-CE1 3.56Å; Y666-Y688 HydrophobicContact CG-CE1 3.56Å; Y666-Y688 HydrophobicContact CG-CE2 4.18Å; Y666-Y688 HydrophobicContact CG-CG 4.41Å; Y666-Y688 AromaticContact CG-CZ 3.69Å
667	A	94.1	Very high	87.6	Confident	3 Å²	3	60.3 Å²	60.3	3%	0.025	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	161.7	172.2	0	0	0	0	0	112	C663 H664 E683 R685 G692	C663-A667 HydrophobicContact CB-CB 3.99Å; H664-A667 HydrophobicContact CB-CB 3.8Å; H664-A667 PolarHBondContact O-N 2.96Å; A667-E683 CarbonylContact C-O 3.43Å; A667-E683 WeakPolarHBondContact CA-O 3.41Å; A667-E683 VanDerWaalsContact CB-O 3.23Å; A667-E683 WeakPolarHBondContact CB-O 3.35Å; A667-R685 VanDerWaalsContact O-CZ 3.23Å; A667-R685 PolarHBondContact O-NE 3.35Å; A667-R685 PolarHBondContact O-NH2 2.82Å; A667-G692 WeakPolarHBondContact CB-O 3.09Å
668	E	92.7	Very high	87.4	Confident	80 Å²	80	57 Å²	57	37%	0.374	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	144.4	167	-164.6	126	-175.7	0	0	109.3	C682 E683 R685	E668-C682 WeakPolarHBondContact O-CA 3.01Å; E668-E683 PolarHBondContact N-O 3.31Å; E668-E683 PolarHBondContact O-N 3.29Å; E668-E683 VanDerWaalsContact O-N 3.14Å; E668-R685 HydrophobicContact CB-CG 4.19Å
669	C	93.1	Very high	87.3	Confident	22 Å²	22	54.3 Å²	54.3	15%	0.149	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	109.9	171.5	-175.5	0	0	0	0	107.6	C656 H661 Y680	C656-C669 WeakPolarHBondContact CA-SG 3.33Å; C656-C669 HydrophobicContact CB-CB 3.67Å; C656-C669 WeakPolarHBondContact CB-SG 3.47Å; C656-C669 WeakPolarHBondContact SG-CB 3.47Å; C656-C669 PolarHBondContact SG-O 2.91Å; C656-C669 CovalentContact SG-SG 2.04Å; C656-C669 PolarHBondContact SG-SG 2.66Å; H661-C669 HydrophobicContact CB-CB 4.26Å; H661-C669 WeakPolarHBondContact CB-SG 3.42Å; C669-Y680 WeakPolarHBondContact SG-CD2 3.27Å
670	I	88.4	Confident	87.3	Confident	32 Å²	32	48.6 Å²	48.6	16%	0.164	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	109.5	-178	-64.2	179.1	0	0	0	107.7	Y680 K681 E683	I670-Y680 CarbonylContact O-C 3.58Å; I670-Y680 WeakPolarHBondContact O-CA 3.03Å; I670-Y680 WeakPolarHBondContact O-CB 3.26Å; I670-K681 HydrophobicContact CB-CG 4.05Å; I670-K681 HydrophobicContact CG2-CG 4.19Å; I670-K681 PolarHBondContact N-O 3.36Å; I670-K681 PolarHBondContact O-N 3.26Å; I670-E683 HydrophobicContact CD1-CB 3.71Å; I670-E683 WeakPolarHBondContact CD1-OE2 3.49Å
671	Y	87.1	Confident	87.3	Confident	38 Å²	38	46.7 Å²	46.7	15%	0.149	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	131.8	170.8	-174.1	-113.8	0	0	0	109.2	N654 H674 M679 R1174	N654-Y671 HydrophobicContact CB-CE2 4.38Å; N654-Y671 WeakPolarHBondContact ND2-CD2 3.46Å; N654-Y671 WeakPolarHBondContact ND2-CE2 3.11Å; N654-Y671 VanDerWaalsContact ND2-CG 3.34Å; N654-Y671 VanDerWaalsContact ND2-CZ 3.28Å; Y671-H674 WeakPolarHBondContact OH-CA 3.3Å; Y671-H674 WeakPolarHBondContact OH-CB 3.01Å; Y671-H674 PolarHBondContact OH-N 3.4Å; Y671-M679 VanDerWaalsContact CD2-O 3.23Å; Y671-M679 WeakPolarHBondContact CD2-O 3.28Å; Y671-M679 HydrophobicContact CE2-CB 4.41Å; Y671-R1174 PolarHBondContact O-NH1 2.86Å
672	I	82.5	Confident	87.3	Confident	27 Å²	27	44.7 Å²	44.7	14%	0.138	22%	0.219	C	C	.	.			trans	-94.3	-76.6	-179.8	-57.5	174	0	0	0	107.8	S676 M679 K681 I948	I672-S676 WeakPolarHBondContact CG2-OG 3.48Å; I672-M679 PolarHBondContact N-O 2.97Å; I672-K681 HydrophobicContact CD1-CB 4.06Å; I672-K681 HydrophobicContact CD1-CD 4.06Å; I672-K681 HydrophobicContact CD1-CG 3.99Å; I672-K681 HydrophobicContact CG1-CD 4.4Å; I672-K681 HydrophobicContact CG1-CG 4.12Å; I672-I948 HydrophobicContact CD1-CB 4.49Å; I672-I948 HydrophobicContact CD1-CG1 4.47Å
673	S	77.9	Confident	87.2	Confident	29 Å²	29	43 Å²	43	20%	0.203	21%	0.209	C	C	.	.			trans	-149.1	161.9	175.4	179.6	0	0	0	0	110	F675 S676	S673-F675 PolarHBondContact O-N 3.33Å; S673-F675 PolarHBondContact OG-N 3.4Å; S673-S676 PolarHBondContact O-N 3.37Å
674	H	80.7	Confident	87.2	Confident	18 Å²	18	43.1 Å²	43.1	8%	0.083	21%	0.209	C	C	.	.	S	Bend	trans	-60.1	-37.8	170.7	178.9	-99	0	0	0	111.3	R629 Y630 P652 Y671	R629-H674 WeakPolarHBondContact CD-O 3.33Å; R629-H674 PolarHBondContact NH1-O 3.19Å; R629-H674 PolarHBondContact O-NE2 3.27Å; Y630-H674 AromaticContact CE2-CE1 3.41Å; Y630-H674 VanDerWaalsContact CE2-CE1 3.41Å; Y630-H674 WeakPolarHBondContact CE2-CE1 3.47Å; Y630-H674 AromaticContact CE2-NE2 3.71Å; Y630-H674 AromaticContact CZ-CE1 3.48Å; Y630-H674 VanDerWaalsContact CZ-CE1 3.48Å; Y630-H674 AromaticContact CZ-NE2 3.63Å; Y630-H674 PolarHBondContact OH-CE1 2.99Å; P652-H674 VanDerWaalsContact CB-CD2 3.48Å; P652-H674 WeakPolarHBondContact CB-CD2 3.26Å; Y671-H674 WeakPolarHBondContact OH-CA 3.3Å; Y671-H674 WeakPolarHBondContact OH-CB 3.01Å; Y671-H674 PolarHBondContact OH-N 3.4Å
675	F	78.1	Confident	87.2	Confident	78 Å²	78	46.5 Å²	46.5	34%	0.342	22%	0.22	S	C	.	.	S	Bend	trans	-97.5	0.1	-175.2	-55.3	-75.5	0	0	0	113.4	R629 S673 R932	R629-F675 PolarHBondContact NH1-O 3.01Å; R629-F675 PolarHBondContact NH2-O 3.31Å; S673-F675 PolarHBondContact O-N 3.33Å; S673-F675 PolarHBondContact OG-N 3.4Å; F675-R932 HydrophobicContact CB-CB 4.39Å; F675-R932 WeakPolarHBondContact O-CD 3.2Å; F675-R932 PolarHBondContact O-NH1 3.14Å
676	S	76.9	Confident	87.3	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-76.6	141.4	175.2	-177.8	0	0	0	0	111.6	R629 I672 S673 P678 M679 D947	R629-S676 PolarHBondContact NH1-O 2.85Å; I672-S676 WeakPolarHBondContact CG2-OG 3.48Å; S673-S676 PolarHBondContact O-N 3.37Å; S676-P678 CarbonylContact C-O 3.56Å; S676-P678 CarbonylContact O-C 3.6Å; S676-P678 PolarHBondContact OG-O 2.66Å; S676-M679 WeakPolarHBondContact O-CA 3.39Å; S676-M679 WeakPolarHBondContact O-CG 3.01Å; S676-M679 PolarHBondContact O-N 2.79Å; S676-D947 WeakPolarHBondContact CA-OD2 3.38Å; S676-D947 WeakPolarHBondContact CB-OD2 3.36Å; S676-D947 WeakPolarHBondContact OG-CB 3.08Å; S676-D947 PolarHBondContact OG-OD2 3.27Å
677	D	73.6	Confident	87.3	Confident	70 Å²	70	38.8 Å²	38.8	37%	0.374	19%	0.191	S	C	.	.	S	Bend	trans	-118	105.1	175.5	-149.8	-14.2	0	0	0	110.4	R629 K937	R629-D677 IonicContact NH2-OD2 2.79Å; D677-K937 IonicContact OD2-NZ 3.18Å; D677-K937 PolarHBondContact OD2-NZ 2.94Å
678	P	84.3	Confident	87.4	Confident	48 Å²	48	40.9 Å²	40.9	31%	0.312	20%	0.199	S	C	.	.	S	Bend	cis	-78	156	2.8	33.4	-36.6	0	0	0	113.7	S676 Y680 I948	S676-P678 CarbonylContact C-O 3.56Å; S676-P678 CarbonylContact O-C 3.6Å; S676-P678 PolarHBondContact OG-O 2.66Å; P678-Y680 WeakPolarHBondContact CG-O 3.35Å; P678-Y680 PolarHBondContact O-N 3.5Å; P678-I948 HydrophobicContact CG-CD1 3.74Å
679	M	85.1	Confident	87.5	Confident	22 Å²	22	37.3 Å²	37.3	11%	0.108	18%	0.183	C	C	.	.	S	Bend	trans	-63.9	-12.2	179.4	-59.2	169.5	78.1	0	0	114.3	R629 E653 Y671 I672 S676	R629-M679 HydrophobicContact CB-CE 3.83Å; R629-M679 HydrophobicContact CB-SD 4.02Å; R629-M679 HydrophobicContact CG-CE 4.21Å; R629-M679 HydrophobicContact CG-SD 3.9Å; E653-M679 HydrophobicContact CB-CE 4.38Å; E653-M679 WeakPolarHBondContact O-CE 3.29Å; Y671-M679 VanDerWaalsContact CD2-O 3.23Å; Y671-M679 WeakPolarHBondContact CD2-O 3.28Å; Y671-M679 HydrophobicContact CE2-CB 4.41Å; I672-M679 PolarHBondContact N-O 2.97Å; S676-M679 WeakPolarHBondContact O-CA 3.39Å; S676-M679 WeakPolarHBondContact O-CG 3.01Å; S676-M679 PolarHBondContact O-N 2.79Å
680	Y	88.7	Confident	87.5	Confident	45 Å²	45	36.8 Å²	36.8	18%	0.176	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	149.8	179.6	73.5	-78.9	0	0	0	111.6	P655 H661 N662 C669 I670 P678	P655-Y680 HydrophobicContact CB-CD1 3.72Å; P655-Y680 HydrophobicContact CB-CE1 3.62Å; P655-Y680 HydrophobicContact CB-CG 4.35Å; P655-Y680 HydrophobicContact CG-CD1 3.68Å; P655-Y680 HydrophobicContact CG-CE1 3.72Å; H661-Y680 HydrophobicContact CB-CD2 4.23Å; H661-Y680 HydrophobicContact CB-CE2 3.58Å; N662-Y680 PolarHBondContact OD1-OH 3.37Å; C669-Y680 WeakPolarHBondContact SG-CD2 3.27Å; I670-Y680 CarbonylContact O-C 3.58Å; I670-Y680 WeakPolarHBondContact O-CA 3.03Å; I670-Y680 WeakPolarHBondContact O-CB 3.26Å; P678-Y680 WeakPolarHBondContact CG-O 3.35Å; P678-Y680 PolarHBondContact O-N 3.5Å
681	K	89.6	Confident	87.6	Confident	39 Å²	39	37.8 Å²	37.8	17%	0.17	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	161.8	164.8	60.6	-170.3	-178.1	-173	0	111	I670 I672 I948 E1172	I670-K681 HydrophobicContact CB-CG 4.05Å; I670-K681 HydrophobicContact CG2-CG 4.19Å; I670-K681 PolarHBondContact N-O 3.36Å; I670-K681 PolarHBondContact O-N 3.26Å; I672-K681 HydrophobicContact CD1-CB 4.06Å; I672-K681 HydrophobicContact CD1-CD 4.06Å; I672-K681 HydrophobicContact CD1-CG 3.99Å; I672-K681 HydrophobicContact CG1-CD 4.4Å; I672-K681 HydrophobicContact CG1-CG 4.12Å; K681-I948 HydrophobicContact CB-CD1 4.34Å; K681-I948 HydrophobicContact CB-CG1 4.22Å; K681-I948 HydrophobicContact CD-CG1 4.46Å; K681-E1172 WeakPolarHBondContact CE-OE1 3.33Å; K681-E1172 IonicContact NZ-OE1 2.61Å; K681-E1172 PolarHBondContact NZ-OE1 3.08Å
682	C	91.6	Very high	87.8	Confident	17 Å²	17	36 Å²	36	12%	0.115	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.4	172.1	-60.7	0	0	0	0	108	C663 E668 G692 F693	C663-C682 WeakPolarHBondContact CA-SG 3.11Å; C663-C682 HydrophobicContact CB-CB 3.61Å; C663-C682 WeakPolarHBondContact CB-SG 3.03Å; C663-C682 WeakPolarHBondContact SG-CB 3.26Å; C663-C682 CovalentContact SG-SG 2.03Å; C663-C682 PolarHBondContact SG-SG 3.25Å; E668-C682 WeakPolarHBondContact O-CA 3.01Å; C682-G692 WeakPolarHBondContact O-CA 3.38Å; C682-F693 HydrophobicContact CB-CE1 4.27Å; C682-F693 HydrophobicContact CB-CZ 4.41Å; C682-F693 WeakPolarHBondContact SG-CE1 3.35Å
683	E	91.9	Very high	88.1	Confident	70 Å²	70	39.3 Å²	39.3	33%	0.327	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	141.7	174	-171.8	172	-165.3	0	0	110.2	A667 E668 I670 K1170	A667-E683 CarbonylContact C-O 3.43Å; A667-E683 WeakPolarHBondContact CA-O 3.41Å; A667-E683 VanDerWaalsContact CB-O 3.23Å; A667-E683 WeakPolarHBondContact CB-O 3.35Å; E668-E683 PolarHBondContact N-O 3.31Å; E668-E683 PolarHBondContact O-N 3.29Å; E668-E683 VanDerWaalsContact O-N 3.14Å; I670-E683 HydrophobicContact CD1-CB 3.71Å; I670-E683 WeakPolarHBondContact CD1-OE2 3.49Å; E683-K1170 IonicContact OE1-NZ 3.32Å; E683-K1170 PolarHBondContact OE1-NZ 2.79Å
684	C	93.8	Very high	88.8	Confident	18 Å²	18	41.3 Å²	41.3	12%	0.122	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	134.2	176.5	-62.9	0	0	0	0	110.7	Y688 G690 C695	C684-Y688 WeakPolarHBondContact CB-O 3.39Å; C684-G690 PolarHBondContact SG-N 3.42Å; C684-C695 VanDerWaalsContact CA-SG 3.51Å; C684-C695 HydrophobicContact CB-CB 3.75Å; C684-C695 WeakPolarHBondContact CB-SG 3.44Å; C684-C695 WeakPolarHBondContact SG-CB 3.38Å; C684-C695 CovalentContact SG-SG 2.04Å; C684-C695 PolarHBondContact SG-SG 2.04Å
685	R	94.6	Very high	89.4	Confident	121 Å²	121	41 Å²	41	46%	0.457	20%	0.202	S	C	.	.			trans	-71.9	153.3	-179.2	-61.2	-179.3	-152.9	160.9	11.9	110.5	Y666 A667 E668 G687 Y688	Y666-R685 WeakPolarHBondContact O-CB 3.42Å; Y666-R685 WeakPolarHBondContact O-CG 3.35Å; Y666-R685 PolarHBondContact O-N 3.28Å; A667-R685 VanDerWaalsContact O-CZ 3.23Å; A667-R685 PolarHBondContact O-NE 3.35Å; A667-R685 PolarHBondContact O-NH2 2.82Å; E668-R685 HydrophobicContact CB-CG 4.19Å; R685-G687 PolarHBondContact O-N 2.03Å; R685-Y688 WeakPolarHBondContact O-CB 3.01Å; R685-Y688 WeakPolarHBondContact O-CD2 3.36Å; R685-Y688 PolarHBondContact O-N 3.47Å
686	T	94.8	Very high	90.2	Very high	38 Å²	38	38 Å²	38	23%	0.233	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-38	124.7	178.5	-41.8	0	0	0	0	114.4	L701 R1115 Y1132 G1134	T686-L701 HydrophobicContact CG2-CD1 4.22Å; T686-L701 HydrophobicContact CG2-CD2 4.13Å; T686-R1115 HydrophobicContact CG2-CB 3.4Å; T686-R1115 HydrophobicContact CG2-CG 3.87Å; T686-Y1132 HydrophobicContact CG2-CD1 4.29Å; T686-Y1132 HydrophobicContact CG2-CD2 4.32Å; T686-Y1132 HydrophobicContact CG2-CG 3.93Å; T686-G1134 WeakPolarHBondContact CG2-O 3.12Å
687	G	94.1	Very high	91.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.7	11.5	-173.4	0	0	0	0	0	113.9	R685 D698 K1135	R685-G687 PolarHBondContact O-N 2.03Å; G687-D698 CarbonylContact C-O 3.56Å; G687-D698 WeakPolarHBondContact CA-O 3.39Å; G687-D698 PolarHBondContact O-N 3.02Å; G687-K1135 WeakPolarHBondContact O-CE 3.19Å; G687-K1135 PolarHBondContact O-NZ 2.79Å
688	Y	95.8	Very high	92.2	Very high	47 Å²	47	40.9 Å²	40.9	18%	0.184	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	137.9	169.6	-57.6	-96.6	0	0	0	109.5	Y666 C684 R685 G696 K1135	Y666-Y688 HydrophobicContact CD1-CE1 4.14Å; Y666-Y688 HydrophobicContact CD1-CE2 4.31Å; Y666-Y688 AromaticContact CD1-CZ 3.83Å; Y666-Y688 AromaticContact CD2-CD1 3.82Å; Y666-Y688 HydrophobicContact CD2-CD1 3.82Å; Y666-Y688 AromaticContact CD2-CE1 3.42Å; Y666-Y688 HydrophobicContact CD2-CE1 3.42Å; Y666-Y688 VanDerWaalsContact CD2-CE1 3.42Å; Y666-Y688 AromaticContact CD2-CZ 3.99Å; Y666-Y688 AromaticContact CE2-CE1 3.91Å; Y666-Y688 HydrophobicContact CE2-CE1 3.91Å; Y666-Y688 AromaticContact CG-CD1 3.94Å; Y666-Y688 HydrophobicContact CG-CD1 3.94Å; Y666-Y688 AromaticContact CG-CE1 3.56Å; Y666-Y688 HydrophobicContact CG-CE1 3.56Å; Y666-Y688 HydrophobicContact CG-CE2 4.18Å; Y666-Y688 HydrophobicContact CG-CG 4.41Å; Y666-Y688 AromaticContact CG-CZ 3.69Å; C684-Y688 WeakPolarHBondContact CB-O 3.39Å; R685-Y688 WeakPolarHBondContact O-CB 3.01Å; R685-Y688 WeakPolarHBondContact O-CD2 3.36Å; R685-Y688 PolarHBondContact O-N 3.47Å; Y688-G696 WeakPolarHBondContact CA-O 3.46Å; Y688-G696 WeakPolarHBondContact CB-O 3.46Å; Y688-G696 VanDerWaalsContact CD1-O 3.27Å; Y688-G696 WeakPolarHBondContact CD1-O 3.33Å; Y688-K1135 HydrophobicContact CD2-CD 4.47Å; Y688-K1135 HydrophobicContact CE2-CD 3.72Å; Y688-K1135 HydrophobicContact CE2-CG 4.04Å; Y688-K1135 PolarHBondContact OH-NZ 3.02Å
689	A	95.2	Very high	92.7	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.033	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	152.4	178.3	0	0	0	0	0	110.9	C695 G696 D698 G703 P705 L709	A689-C695 CarbonylContact O-C 3.55Å; A689-C695 VanDerWaalsContact O-CA 3.3Å; A689-C695 WeakPolarHBondContact O-CA 3.44Å; A689-G696 PolarHBondContact N-O 3.4Å; A689-G696 PolarHBondContact O-N 3.37Å; A689-D698 HydrophobicContact CB-CB 3.8Å; A689-G703 VanDerWaalsContact CB-C 3.5Å; A689-G703 VanDerWaalsContact CB-O 3.23Å; A689-G703 WeakPolarHBondContact CB-O 3.45Å; A689-P705 HydrophobicContact CB-CB 4.06Å; A689-P705 HydrophobicContact CB-CG 4.38Å; A689-L709 WeakPolarHBondContact O-CD1 3.4Å
690	G	92.4	Very high	93.3	Very high	12 Å²	12	40.6 Å²	40.6	12%	0.124	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.5	-164.8	-176.3	0	0	0	0	0	113.7	C684 G692 L694 H718	C684-G690 PolarHBondContact SG-N 3.42Å; G690-G692 VanDerWaalsContact C-N 3.34Å; G690-L694 WeakPolarHBondContact CA-O 3.4Å; G690-H718 WeakPolarHBondContact CA-O 3.49Å; G690-H718 PolarHBondContact N-O 2.87Å; G690-H718 VanDerWaalsContact N-O 3.16Å; G690-H718 WeakPolarHBondContact O-CB 3.13Å
691	D	90.4	Very high	93.7	Very high	52 Å²	52	38.6 Å²	38.6	28%	0.278	20%	0.197	S	C	.	.	S	Bend	trans	-92.7	12.3	179.8	69.1	1.5	0	0	0	113.5	F693 L694 C711	D691-F693 WeakPolarHBondContact O-CD2 3.4Å; D691-F693 PolarHBondContact O-N 3.21Å; D691-F693 PolarHBondContact OD1-N 3.08Å; D691-L694 PolarHBondContact N-O 2.68Å; D691-L694 PolarHBondContact OD1-N 2.76Å; D691-C711 HydrophobicContact CB-CB 4.31Å; D691-C711 WeakPolarHBondContact OD2-CB 3.47Å
692	G	90.9	Very high	94	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.01	19%	0.189	C	C	.	.	S	Bend	trans	76.3	-21	-177.3	0	0	0	0	0	115	H664 A667 C682 G690	H664-G692 WeakPolarHBondContact CB-O 3.49Å; H664-G692 PolarHBondContact N-O 3.42Å; A667-G692 WeakPolarHBondContact CB-O 3.09Å; C682-G692 WeakPolarHBondContact O-CA 3.38Å; G690-G692 VanDerWaalsContact C-N 3.34Å
693	F	90.4	Very high	94.1	Very high	96 Å²	96	36.3 Å²	36.3	42%	0.421	19%	0.188	S	C	.	.	S	Bend	trans	-91.6	-30.1	171.2	-55.9	-71.6	0	0	0	111.3	N662 H664 C682 D691	N662-F693 WeakPolarHBondContact ND2-CD1 3.48Å; N662-F693 WeakPolarHBondContact ND2-CE1 3.41Å; N662-F693 WeakPolarHBondContact OD1-CE1 3.48Å; H664-F693 WeakPolarHBondContact CB-O 3.37Å; H664-F693 PolarHBondContact CD2-O 3.47Å; C682-F693 HydrophobicContact CB-CE1 4.27Å; C682-F693 HydrophobicContact CB-CZ 4.41Å; C682-F693 WeakPolarHBondContact SG-CE1 3.35Å; D691-F693 WeakPolarHBondContact O-CD2 3.4Å; D691-F693 PolarHBondContact O-N 3.21Å; D691-F693 PolarHBondContact OD1-N 3.08Å
694	L	91.4	Very high	94.3	Very high	72 Å²	72	33.6 Å²	33.6	38%	0.377	18%	0.175	S	C	.	.	S	Bend	trans	-125.6	134.5	166.2	-63	171.8	0	0	0	108.8	G690 D691 V710 C711	G690-L694 WeakPolarHBondContact CA-O 3.4Å; D691-L694 PolarHBondContact N-O 2.68Å; D691-L694 PolarHBondContact OD1-N 2.76Å; L694-V710 HydrophobicContact CD1-CB 4.07Å; L694-C711 HydrophobicContact CD1-CB 4.19Å
695	C	94.1	Very high	94.4	Very high	12 Å²	12	32.8 Å²	32.8	8%	0.081	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	124.6	173.1	-50.8	0	0	0	0	111.3	H664 C684 A689	H664-C695 PolarHBondContact CE1-O 3.03Å; H664-C695 VanDerWaalsContact CE1-O 3.31Å; H664-C695 WeakPolarHBondContact ND1-CB 3.44Å; H664-C695 PolarHBondContact ND1-N 2.81Å; C684-C695 VanDerWaalsContact CA-SG 3.51Å; C684-C695 HydrophobicContact CB-CB 3.75Å; C684-C695 WeakPolarHBondContact CB-SG 3.44Å; C684-C695 WeakPolarHBondContact SG-CB 3.38Å; C684-C695 CovalentContact SG-SG 2.04Å; C684-C695 PolarHBondContact SG-SG 2.04Å; A689-C695 CarbonylContact O-C 3.55Å; A689-C695 VanDerWaalsContact O-CA 3.3Å; A689-C695 WeakPolarHBondContact O-CA 3.44Å
696	G	94.1	Very high	94.4	Very high	14 Å²	14	29.2 Å²	29.2	14%	0.144	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	177.3	170.9	0	0	0	0	0	112.4	Y688 A689	Y688-G696 WeakPolarHBondContact CA-O 3.46Å; Y688-G696 WeakPolarHBondContact CB-O 3.46Å; Y688-G696 VanDerWaalsContact CD1-O 3.27Å; Y688-G696 WeakPolarHBondContact CD1-O 3.33Å; A689-G696 PolarHBondContact N-O 3.4Å; A689-G696 PolarHBondContact O-N 3.37Å
697	E	96	Very high	94.3	Very high	121 Å²	121	34.3 Å²	34.3	57%	0.565	18%	0.18	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	139.6	169	-56.7	-157.4	102.8	0	0	110.8	P705 N706 K1135	E697-P705 WeakPolarHBondContact O-CA 3.06Å; E697-N706 PolarHBondContact O-N 3.2Å; E697-N706 PolarHBondContact O-OD1 3.34Å; E697-K1135 IonicContact OE1-NZ 2.69Å; E697-K1135 PolarHBondContact OE1-NZ 2.93Å
698	D	97.1	Very high	94.2	Very high	10 Å²	10	39.8 Å²	39.8	5%	0.053	21%	0.21	C	C	.	.			trans	-127.3	136.6	172.1	151	18.3	0	0	0	105.3	G687 A689 L701 N706	G687-D698 CarbonylContact C-O 3.56Å; G687-D698 WeakPolarHBondContact CA-O 3.39Å; G687-D698 PolarHBondContact O-N 3.02Å; A689-D698 HydrophobicContact CB-CB 3.8Å; D698-L701 WeakPolarHBondContact OD1-CA 3.41Å; D698-L701 PolarHBondContact OD1-N 3.16Å; D698-N706 WeakPolarHBondContact CA-OD1 3.48Å
699	S	95	Very high	93.9	Very high	60 Å²	60	39 Å²	39	42%	0.42	21%	0.209	S	C	.	.	S	Bend	trans	-117.3	-32.8	-163.4	-57.6	0	0	0	0	114	N706	S699-N706 PolarHBondContact N-OD1 2.83Å; S699-N706 VanDerWaalsContact OG-CG 3.27Å; S699-N706 PolarHBondContact OG-ND2 2.84Å; S699-N706 PolarHBondContact OG-OD1 3.27Å
700	D	96.4	Very high	93.5	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.016	25%	0.246	C	C	.	.	S	Bend	trans	-102.1	-8.2	-179.9	13.8	29.2	0	0	0	112.4	N726 L727 P728 T1017 A1113	D700-N726 WeakPolarHBondContact OD2-CA 3.4Å; D700-N726 PolarHBondContact OD2-N 3.46Å; D700-L727 PolarHBondContact OD2-N 2.83Å; D700-P728 HydrophobicContact CB-CG 3.92Å; D700-P728 WeakPolarHBondContact O-CG 3.45Å; D700-T1017 WeakPolarHBondContact O-CG2 3.4Å; D700-A1113 VanDerWaalsContact C-CB 3.49Å; D700-A1113 WeakPolarHBondContact O-CB 3.01Å
701	L	97.4	Very high	93.1	Very high	3 Å²	3	45.1 Å²	45.1	2%	0.016	24%	0.243	C	C	.	.	S	Bend	trans	72	26.2	171.2	-44.8	178.6	0	0	0	114.3	T686 D698 T1017 A1113 R1115	T686-L701 HydrophobicContact CG2-CD1 4.22Å; T686-L701 HydrophobicContact CG2-CD2 4.13Å; D698-L701 WeakPolarHBondContact OD1-CA 3.41Å; D698-L701 PolarHBondContact OD1-N 3.16Å; L701-T1017 HydrophobicContact CB-CG2 3.91Å; L701-T1017 WeakPolarHBondContact CB-OG1 3.41Å; L701-T1017 WeakPolarHBondContact O-CB 3.2Å; L701-T1017 PolarHBondContact O-OG1 2.78Å; L701-A1113 HydrophobicContact CB-CB 4.43Å; L701-A1113 HydrophobicContact CD1-CB 4.05Å; L701-A1113 HydrophobicContact CG-CB 3.97Å; L701-R1115 HydrophobicContact CD1-CB 3.98Å; L701-R1115 PolarHBondContact O-NH1 3.02Å
702	D	96.3	Very high	91.9	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-91.8	1.6	-177.9	93	-24.7	0	0	0	113.6	W704 P728 N729 S730 D1168	D702-W704 PolarHBondContact OD1-N 2.9Å; D702-P728 HydrophobicContact CB-CB 3.84Å; D702-N729 PolarHBondContact OD2-N 3.04Å; D702-S730 WeakPolarHBondContact O-CB 3.38Å; D702-S730 WeakPolarHBondContact OD2-CA 3.39Å; D702-S730 PolarHBondContact OD2-N 2.82Å; D702-S730 VanDerWaalsContact OD2-N 3.13Å; D702-D1168 WeakPolarHBondContact O-CB 3.3Å
703	G	94.4	Very high	90.2	Very high	8 Å²	8	49.1 Å²	49.1	8%	0.082	28%	0.28	C	S	.	.	S	Bend	trans	86.2	5.3	179.4	0	0	0	0	0	115	A689 H718	A689-G703 VanDerWaalsContact CB-C 3.5Å; A689-G703 VanDerWaalsContact CB-O 3.23Å; A689-G703 WeakPolarHBondContact CB-O 3.45Å; G703-H718 WeakPolarHBondContact O-CB 3.02Å; G703-H718 PolarHBondContact O-ND1 3.2Å
704	W	95.9	Very high	88.8	Confident	13 Å²	13	52.1 Å²	52.1	5%	0.049	30%	0.301	C	S	.	.			trans	-110	139.3	171.9	-63.8	88.3	0	0	0	112.3	D702 Y717 H718 K720 D722 S730 Q732	D702-W704 PolarHBondContact OD1-N 2.9Å; W704-Y717 HydrophobicContact CH2-CD1 4.12Å; W704-Y717 HydrophobicContact CZ2-CD1 4.22Å; W704-H718 VanDerWaalsContact CZ3-N 3.3Å; W704-K720 HydrophobicContact CE3-CB 4.39Å; W704-K720 HydrophobicContact CZ3-CB 4.1Å; W704-K720 HydrophobicContact CZ3-CD 4.39Å; W704-K720 HydrophobicContact CZ3-CG 4.47Å; W704-D722 HydrophobicContact CB-CB 3.39Å; W704-D722 HydrophobicContact CG-CB 4.49Å; W704-S730 PolarHBondContact NE1-O 2.95Å; W704-Q732 HydrophobicContact CD2-CG 3.49Å; W704-Q732 VanDerWaalsContact CD2-CG 3.49Å; W704-Q732 HydrophobicContact CE3-CG 4.11Å; W704-Q732 HydrophobicContact CG-CG 3.68Å; W704-Q732 HydrophobicContact CH2-CG 4.39Å; W704-Q732 HydrophobicContact CZ2-CB 4.31Å; W704-Q732 HydrophobicContact CZ2-CG 3.83Å
705	P	95.6	Very high	87.3	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.006	29%	0.294	C	S	.	.			trans	-83.1	144	-176.7	31	-34.6	0	0	0	111	A689 E697 Q707 L709 H718 K720 K721 D722	A689-P705 HydrophobicContact CB-CB 4.06Å; A689-P705 HydrophobicContact CB-CG 4.38Å; E697-P705 WeakPolarHBondContact O-CA 3.06Å; P705-Q707 PolarHBondContact O-N 2.72Å; P705-L709 HydrophobicContact CB-CD1 4.01Å; P705-L709 HydrophobicContact CB-CD2 4.4Å; P705-L709 HydrophobicContact CB-CG 4.15Å; P705-L709 HydrophobicContact CG-CD1 3.85Å; P705-L709 HydrophobicContact CG-CG 3.89Å; P705-H718 WeakPolarHBondContact CD-O 3.46Å; P705-H718 WeakPolarHBondContact CG-O 3.48Å; P705-K720 VanDerWaalsContact CD-O 3.22Å; P705-K720 WeakPolarHBondContact CD-O 3.37Å; P705-K720 VanDerWaalsContact CG-O 3.3Å; P705-K720 WeakPolarHBondContact CG-O 3.39Å; P705-K721 WeakPolarHBondContact O-CA 3.25Å; P705-D722 PolarHBondContact O-N 3.01Å
706	N	94.3	Very high	86.1	Confident	47 Å²	47	54.5 Å²	54.5	25%	0.251	32%	0.319	S	S	.	.	S	Bend	trans	-52.8	-16.8	176.1	-64.2	39.5	0	0	0	114.6	E697 D698 S699 K721	E697-N706 PolarHBondContact O-N 3.2Å; E697-N706 PolarHBondContact O-OD1 3.34Å; D698-N706 WeakPolarHBondContact CA-OD1 3.48Å; S699-N706 PolarHBondContact N-OD1 2.83Å; S699-N706 VanDerWaalsContact OG-CG 3.27Å; S699-N706 PolarHBondContact OG-ND2 2.84Å; S699-N706 PolarHBondContact OG-OD1 3.27Å; N706-K721 WeakPolarHBondContact O-CG 3.37Å
707	Q	92.8	Very high	85.2	Confident	145 Å²	145	60.5 Å²	60.5	68%	0.678	34%	0.339	S	S	*	.	S	Bend	trans	-147.8	147.6	-172.9	-63.6	-178.8	51.9	0	0	111.3	P705 L709	P705-Q707 PolarHBondContact O-N 2.72Å; Q707-L709 WeakPolarHBondContact O-CD2 3.25Å; Q707-L709 PolarHBondContact O-N 2.79Å
708	N	91.6	Very high	84.6	Confident	114 Å²	114	57.1 Å²	57.1	61%	0.61	32%	0.323	S	S	*	.			trans	-60.8	127.5	176.4	-68.2	-66.5	0	0	0	111.6	K720 K721	N708-K720 WeakPolarHBondContact OD1-CA 3.49Å; N708-K721 PolarHBondContact OD1-N 3.4Å
709	L	90.9	Very high	84.3	Confident	32 Å²	32	56.7 Å²	56.7	17%	0.168	32%	0.32	C	S	.	.			trans	-98.8	156.9	179.6	-52.6	-176.4	0	0	0	111.5	A689 P705 Q707 C711 S712 C719	A689-L709 WeakPolarHBondContact O-CD1 3.4Å; P705-L709 HydrophobicContact CB-CD1 4.01Å; P705-L709 HydrophobicContact CB-CD2 4.4Å; P705-L709 HydrophobicContact CB-CG 4.15Å; P705-L709 HydrophobicContact CG-CD1 3.85Å; P705-L709 HydrophobicContact CG-CG 3.89Å; Q707-L709 WeakPolarHBondContact O-CD2 3.25Å; Q707-L709 PolarHBondContact O-N 2.79Å; L709-C711 VanDerWaalsContact CB-SG 3.52Å; L709-C711 PolarHBondContact O-N 3.11Å; L709-C711 VanDerWaalsContact O-N 3.16Å; L709-S712 VanDerWaalsContact O-CB 3.3Å; L709-S712 WeakPolarHBondContact O-CB 3.42Å; L709-S712 PolarHBondContact O-N 2.81Å; L709-S712 VanDerWaalsContact O-N 3.07Å; L709-S712 PolarHBondContact O-OG 3.33Å; L709-C719 HydrophobicContact CB-CB 4.25Å; L709-C719 PolarHBondContact N-O 3.04Å
710	V	87.1	Confident	84.1	Confident	136 Å²	136	59.2 Å²	59.2	82%	0.824	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-63.9	-23.8	-175.6	-174.5	0	0	0	0	112.4	L694 S712	L694-V710 HydrophobicContact CD1-CB 4.07Å; V710-S712 PolarHBondContact O-N 2.89Å
711	C	83.1	Confident	84	Confident	8 Å²	8	63 Å²	63	5%	0.054	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-63.6	-15.6	173.9	41.6	0	0	0	0	114.8	D691 L694 L709 A713 N714 S715 C719	D691-C711 HydrophobicContact CB-CB 4.31Å; D691-C711 WeakPolarHBondContact OD2-CB 3.47Å; L694-C711 HydrophobicContact CD1-CB 4.19Å; L709-C711 VanDerWaalsContact CB-SG 3.52Å; L709-C711 PolarHBondContact O-N 3.11Å; L709-C711 VanDerWaalsContact O-N 3.16Å; C711-A713 PolarHBondContact O-N 2.67Å; C711-N714 PolarHBondContact O-N 2.93Å; C711-S715 PolarHBondContact O-N 3.36Å; C711-S715 PolarHBondContact O-OG 3.3Å; C711-C719 HydrophobicContact CB-CB 3.96Å; C711-C719 WeakPolarHBondContact CB-SG 3.36Å; C711-C719 WeakPolarHBondContact SG-CB 3.44Å; C711-C719 CovalentContact SG-SG 2.04Å; C711-C719 PolarHBondContact SG-SG 3.4Å
712	S	64.1	Low	84	Confident	48 Å²	48	62.9 Å²	62.9	34%	0.336	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-53.7	-12.2	-177.4	-61.4	0	0	0	0	117	L709 V710 C719	L709-S712 VanDerWaalsContact O-CB 3.3Å; L709-S712 WeakPolarHBondContact O-CB 3.42Å; L709-S712 PolarHBondContact O-N 2.81Å; L709-S712 VanDerWaalsContact O-N 3.07Å; L709-S712 PolarHBondContact O-OG 3.33Å; V710-S712 PolarHBondContact O-N 2.89Å; S712-C719 PolarHBondContact OG-O 3.44Å
713	A	57.3	Low	84	Confident	89 Å²	89	63.5 Å²	63.5	74%	0.736	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-90.7	-19.2	175.9	0	0	0	0	0	113.9	C711	C711-A713 PolarHBondContact O-N 2.67Å
714	N	59.4	Low	84.1	Confident	159 Å²	159	63.3 Å²	63.3	85%	0.85	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.6	-23.4	-171	-70.1	0.5	0	0	0	113.8	C711	C711-N714 PolarHBondContact O-N 2.93Å
715	S	61.6	Low	84	Confident	34 Å²	34	64.2 Å²	64.2	24%	0.238	35%	0.348	C	S	.	.			trans	-100.9	150	179.8	63.5	0	0	0	0	113	C711 C719	C711-S715 PolarHBondContact O-N 3.36Å; C711-S715 PolarHBondContact O-OG 3.3Å; S715-C719 WeakPolarHBondContact OG-CB 3.37Å; S715-C719 PolarHBondContact OG-SG 2.95Å
716	T	67.6	Low	83.9	Confident	99 Å²	99	70.4 Å²	70.4	61%	0.607	38%	0.381	S	S	*	.	S	Bend	trans	-79.9	-39.7	-176.4	-40.2	0	0	0	0	112.8
717	Y	74.8	Confident	84	Confident	141 Å²	141	69 Å²	69	55%	0.553	37%	0.373	S	S	*	.	S	Bend	trans	-130.7	173.7	-171	-54.9	-67.7	0	0	0	111.6	W704 C719	W704-Y717 HydrophobicContact CH2-CD1 4.12Å; W704-Y717 HydrophobicContact CZ2-CD1 4.22Å; Y717-C719 PolarHBondContact O-N 3.39Å
718	H	84.4	Confident	84.2	Confident	49 Å²	49	62.1 Å²	62.1	23%	0.227	34%	0.341	C	S	.	.	S	Bend	trans	57.9	5.1	166.9	-46.2	-59.5	0	0	0	117.9	G690 G703 W704 P705	G690-H718 WeakPolarHBondContact CA-O 3.49Å; G690-H718 PolarHBondContact N-O 2.87Å; G690-H718 VanDerWaalsContact N-O 3.16Å; G690-H718 WeakPolarHBondContact O-CB 3.13Å; G703-H718 WeakPolarHBondContact O-CB 3.02Å; G703-H718 PolarHBondContact O-ND1 3.2Å; W704-H718 VanDerWaalsContact CZ3-N 3.3Å; P705-H718 WeakPolarHBondContact CD-O 3.46Å; P705-H718 WeakPolarHBondContact CG-O 3.48Å
719	C	90.1	Very high	84.5	Confident	1 Å²	1	56.8 Å²	56.8	1%	0.007	31%	0.312	C	S	.	.			trans	-115.2	-12.1	179.9	-74	0	0	0	0	115	L709 C711 S712 S715 Y717	L709-C719 HydrophobicContact CB-CB 4.25Å; L709-C719 PolarHBondContact N-O 3.04Å; C711-C719 HydrophobicContact CB-CB 3.96Å; C711-C719 WeakPolarHBondContact CB-SG 3.36Å; C711-C719 WeakPolarHBondContact SG-CB 3.44Å; C711-C719 CovalentContact SG-SG 2.04Å; C711-C719 PolarHBondContact SG-SG 3.4Å; S712-C719 PolarHBondContact OG-O 3.44Å; S715-C719 WeakPolarHBondContact OG-CB 3.37Å; S715-C719 PolarHBondContact OG-SG 2.95Å; Y717-C719 PolarHBondContact O-N 3.39Å
720	K	91.8	Very high	84.8	Confident	114 Å²	114	55.2 Å²	55.2	50%	0.496	30%	0.304	S	S	.	.	S	Bend	trans	-82.1	153.9	173.7	-60.2	171	-170.7	157.9	0	109.8	W704 P705 N708 D722	W704-K720 HydrophobicContact CE3-CB 4.39Å; W704-K720 HydrophobicContact CZ3-CB 4.1Å; W704-K720 HydrophobicContact CZ3-CD 4.39Å; W704-K720 HydrophobicContact CZ3-CG 4.47Å; P705-K720 VanDerWaalsContact CD-O 3.22Å; P705-K720 WeakPolarHBondContact CD-O 3.37Å; P705-K720 VanDerWaalsContact CG-O 3.3Å; P705-K720 WeakPolarHBondContact CG-O 3.39Å; N708-K720 WeakPolarHBondContact OD1-CA 3.49Å; K720-D722 PolarHBondContact O-N 3.1Å
721	K	94.2	Very high	85.2	Confident	82 Å²	82	49.7 Å²	49.7	36%	0.357	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-59.2	123.2	169.3	-177.2	-115.6	168.1	-138.4	0	109.1	P705 N706 N708	P705-K721 WeakPolarHBondContact O-CA 3.25Å; N706-K721 WeakPolarHBondContact O-CG 3.37Å; N708-K721 PolarHBondContact OD1-N 3.4Å
722	D	96.9	Very high	85.8	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-55.1	153.9	171.9	98.4	63.8	0	0	0	110.9	W704 P705 K720 C724 P725 Q732	W704-D722 HydrophobicContact CB-CB 3.39Å; W704-D722 HydrophobicContact CG-CB 4.49Å; P705-D722 PolarHBondContact O-N 3.01Å; K720-D722 PolarHBondContact O-N 3.1Å; D722-C724 WeakPolarHBondContact OD1-CA 3.43Å; D722-C724 PolarHBondContact OD1-N 2.87Å; D722-P725 WeakPolarHBondContact OD1-CA 3.47Å; D722-P725 VanDerWaalsContact OD1-CD 3.23Å; D722-P725 WeakPolarHBondContact OD1-CD 3.36Å; D722-P725 WeakPolarHBondContact OD1-CG 3.49Å; D722-P725 WeakPolarHBondContact OD2-CA 3.31Å; D722-P725 WeakPolarHBondContact OD2-CB 3.26Å; D722-P725 VanDerWaalsContact OD2-CG 3.24Å; D722-P725 WeakPolarHBondContact OD2-CG 3.42Å; D722-Q732 VanDerWaalsContact CB-OE1 3.31Å
723	N	96.3	Very high	87.3	Confident	13 Å²	13	51 Å²	51	7%	0.07	27%	0.274	C	S	.	.	S	Bend	trans	-96.3	-16.3	-176.8	63.5	-5.3	0	0	0	114.7	N729 Q732 E733 Q740 G741	N723-N729 PolarHBondContact OD1-ND2 2.84Å; N723-Q732 PolarHBondContact ND2-NE2 3.15Å; N723-Q732 PolarHBondContact OD1-NE2 2.68Å; N723-E733 PolarHBondContact ND2-O 2.73Å; N723-Q740 PolarHBondContact ND2-O 2.85Å; N723-Q740 VanDerWaalsContact ND2-O 3.13Å; N723-G741 WeakPolarHBondContact ND2-CA 3.34Å
724	C	96.3	Very high	89.1	Confident	4 Å²	4	48.7 Å²	48.7	3%	0.027	25%	0.25	C	C	.	.	S	Bend	trans	-129.9	62.4	179.1	-66.7	0	0	0	0	114.8	D722 N726 L727 N729 G741 C744	D722-C724 WeakPolarHBondContact OD1-CA 3.43Å; D722-C724 PolarHBondContact OD1-N 2.87Å; C724-N726 PolarHBondContact O-N 2.55Å; C724-L727 PolarHBondContact O-N 3.4Å; C724-N729 WeakPolarHBondContact CB-OD1 3.45Å; C724-G741 PolarHBondContact SG-O 3.32Å; C724-G741 VanDerWaalsContact SG-O 3.37Å; C724-C744 WeakPolarHBondContact CA-SG 3.44Å; C724-C744 HydrophobicContact CB-CB 3.61Å; C724-C744 WeakPolarHBondContact CB-SG 3.05Å; C724-C744 WeakPolarHBondContact SG-CB 3.33Å; C724-C744 PolarHBondContact SG-N 3.15Å; C724-C744 VanDerWaalsContact SG-N 3.44Å; C724-C744 CovalentContact SG-SG 2.03Å; C724-C744 PolarHBondContact SG-SG 2.87Å
725	P	94.7	Very high	90.8	Very high	32 Å²	32	44.9 Å²	44.9	21%	0.208	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	26.9	-157.3	-16.7	28.8	0	0	0	118.8	D722	D722-P725 WeakPolarHBondContact OD1-CA 3.47Å; D722-P725 VanDerWaalsContact OD1-CD 3.23Å; D722-P725 WeakPolarHBondContact OD1-CD 3.36Å; D722-P725 WeakPolarHBondContact OD1-CG 3.49Å; D722-P725 WeakPolarHBondContact OD2-CA 3.31Å; D722-P725 WeakPolarHBondContact OD2-CB 3.26Å; D722-P725 VanDerWaalsContact OD2-CG 3.24Å; D722-P725 WeakPolarHBondContact OD2-CG 3.42Å
726	N	93.6	Very high	92.3	Very high	132 Å²	132	45.7 Å²	45.7	71%	0.706	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-142.4	12.9	168.7	-50.8	-110.3	0	0	0	112.8	D700 C724 Y1019	D700-N726 WeakPolarHBondContact OD2-CA 3.4Å; D700-N726 PolarHBondContact OD2-N 3.46Å; C724-N726 PolarHBondContact O-N 2.55Å; N726-Y1019 PolarHBondContact O-OH 3.05Å
727	L	96.1	Very high	93.6	Very high	18 Å²	18	48.3 Å²	48.3	9%	0.094	23%	0.231	C	C	.	.	S	Bend	trans	-150.1	112.5	-174.2	174.4	62.8	0	0	0	109.4	D700 C724 N729 A743 C744 Y1019 N1021 F1165	D700-L727 PolarHBondContact OD2-N 2.83Å; C724-L727 PolarHBondContact O-N 3.4Å; L727-N729 PolarHBondContact O-N 2.7Å; L727-A743 HydrophobicContact CD2-CB 4.26Å; L727-A743 WeakPolarHBondContact CD2-O 3.45Å; L727-C744 HydrophobicContact CD2-CB 4.29Å; L727-Y1019 HydrophobicContact CD1-CD1 4.03Å; L727-Y1019 HydrophobicContact CD1-CE1 3.48Å; L727-Y1019 VanDerWaalsContact CD1-CE1 3.48Å; L727-N1021 HydrophobicContact CD1-CB 4.18Å; L727-N1021 WeakPolarHBondContact CD1-ND2 3.34Å; L727-F1165 HydrophobicContact CD1-CD1 4.37Å; L727-F1165 HydrophobicContact CD1-CE1 4.04Å; L727-F1165 HydrophobicContact CD1-CZ 4.16Å
728	P	97.8	Very high	94.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.232	C	C	.	.			trans	-57.6	126.8	-174.5	-22.8	30.7	0	0	0	113	D700 D702 T1017 Y1019 S1167	D700-P728 HydrophobicContact CB-CG 3.92Å; D700-P728 WeakPolarHBondContact O-CG 3.45Å; D702-P728 HydrophobicContact CB-CB 3.84Å; P728-T1017 HydrophobicContact CB-CG2 4.39Å; P728-T1017 HydrophobicContact CG-CG2 4.01Å; P728-Y1019 HydrophobicContact CG-CD2 3.9Å; P728-Y1019 HydrophobicContact CG-CG 3.92Å; P728-S1167 VanDerWaalsContact CB-CB 3.5Å; P728-S1167 WeakPolarHBondContact CB-OG 3.06Å
729	N	96.8	Very high	94.9	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	24%	0.241	C	C	.	.			trans	-148.7	56.8	175.8	74	-54.3	0	0	0	110.8	D702 N723 C724 L727 G731 Q732 A743 E991	D702-N729 PolarHBondContact OD2-N 3.04Å; N723-N729 PolarHBondContact OD1-ND2 2.84Å; C724-N729 WeakPolarHBondContact CB-OD1 3.45Å; L727-N729 PolarHBondContact O-N 2.7Å; N729-G731 PolarHBondContact O-N 2.87Å; N729-Q732 PolarHBondContact O-N 2.92Å; N729-A743 HydrophobicContact CB-CB 3.33Å; N729-E991 WeakPolarHBondContact CA-OE2 3.36Å
730	S	96.5	Very high	95.1	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-19.3	-167.3	58.9	0	0	0	0	116.3	D702 W704 Q732 H987 E991 S1167 D1168	D702-S730 WeakPolarHBondContact O-CB 3.38Å; D702-S730 WeakPolarHBondContact OD2-CA 3.39Å; D702-S730 PolarHBondContact OD2-N 2.82Å; D702-S730 VanDerWaalsContact OD2-N 3.13Å; W704-S730 PolarHBondContact NE1-O 2.95Å; S730-Q732 VanDerWaalsContact C-N 3.3Å; S730-H987 VanDerWaalsContact C-ND1 3.27Å; S730-H987 VanDerWaalsContact CB-ND1 3.3Å; S730-H987 WeakPolarHBondContact CB-ND1 3.32Å; S730-H987 PolarHBondContact O-CE1 3.02Å; S730-H987 PolarHBondContact O-ND1 2.87Å; S730-H987 PolarHBondContact OG-ND1 3.19Å; S730-E991 PolarHBondContact N-OE2 3.04Å; S730-E991 PolarHBondContact OG-OE2 2.78Å; S730-S1167 WeakPolarHBondContact CB-OG 3.11Å; S730-S1167 PolarHBondContact OG-OG 2.03Å; S730-D1168 PolarHBondContact OG-N 3.48Å; S730-D1168 VanDerWaalsContact OG-N 3.1Å
731	G	95.4	Very high	95.3	Very high	19 Å²	19	44.5 Å²	44.5	20%	0.196	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-13.2	173.8	0	0	0	0	0	114.5	N729 E733 H987	N729-G731 PolarHBondContact O-N 2.87Å; G731-E733 WeakPolarHBondContact CA-OE2 3.47Å; G731-E733 PolarHBondContact O-N 3Å; G731-H987 VanDerWaalsContact CA-CB 3.41Å
732	Q	95.7	Very high	95.4	Very high	38 Å²	38	41.6 Å²	41.6	18%	0.178	22%	0.222	C	C	.	.			trans	56.2	31.9	179.3	-79.1	-66.8	152.2	0	0	113.5	W704 D722 N723 N729 S730 D734	W704-Q732 HydrophobicContact CD2-CG 3.49Å; W704-Q732 VanDerWaalsContact CD2-CG 3.49Å; W704-Q732 HydrophobicContact CE3-CG 4.11Å; W704-Q732 HydrophobicContact CG-CG 3.68Å; W704-Q732 HydrophobicContact CH2-CG 4.39Å; W704-Q732 HydrophobicContact CZ2-CB 4.31Å; W704-Q732 HydrophobicContact CZ2-CG 3.83Å; D722-Q732 VanDerWaalsContact CB-OE1 3.31Å; N723-Q732 PolarHBondContact ND2-NE2 3.15Å; N723-Q732 PolarHBondContact OD1-NE2 2.68Å; N729-Q732 PolarHBondContact O-N 2.92Å; S730-Q732 VanDerWaalsContact C-N 3.3Å; Q732-D734 PolarHBondContact O-N 3.2Å
733	E	95.6	Very high	95.3	Very high	45 Å²	45	42.6 Å²	42.6	21%	0.21	23%	0.231	C	C	.	.			trans	-57	136.4	174.2	-65.3	84.6	175.8	0	0	111	N723 G731 G741 D742 H987	N723-E733 PolarHBondContact ND2-O 2.73Å; G731-E733 WeakPolarHBondContact CA-OE2 3.47Å; G731-E733 PolarHBondContact O-N 3Å; E733-G741 VanDerWaalsContact O-CA 3.29Å; E733-G741 WeakPolarHBondContact O-CA 3.47Å; E733-D742 HydrophobicContact CB-CB 4.25Å; E733-D742 WeakPolarHBondContact CB-OD2 3.38Å; E733-D742 PolarHBondContact O-N 3.35Å; E733-H987 PolarHBondContact OE1-N 3.46Å
734	D	95.3	Very high	95.2	Very high	41 Å²	41	43.8 Å²	43.8	22%	0.219	24%	0.24	C	C	.	.			trans	-160.4	84.8	-170.2	177.1	-1.5	0	0	0	105.8	Q732 K737 D742	Q732-D734 PolarHBondContact O-N 3.2Å; D734-K737 WeakPolarHBondContact O-CE 3.44Å; D734-K737 PolarHBondContact O-NZ 2.9Å; D734-K737 VanDerWaalsContact O-NZ 3.15Å; D734-K737 WeakPolarHBondContact OD1-CA 3.05Å; D734-K737 PolarHBondContact OD1-N 3.01Å; D734-D742 WeakPolarHBondContact CA-OD1 3.45Å; D734-D742 PolarHBondContact N-OD1 2.7Å
735	F	95.5	Very high	95.1	Very high	79 Å²	79	45.5 Å²	45.5	35%	0.346	25%	0.249	S	C	.	.	S	Bend	trans	-69.4	-49.8	-167.8	179.6	-97.3	0	0	0	111.9	K737 D742 D749 L762 L763	F735-K737 PolarHBondContact O-NZ 2.78Å; F735-D742 PolarHBondContact N-OD1 2.95Å; F735-D749 HydrophobicContact CD1-CB 3.82Å; F735-D749 HydrophobicContact CE1-CB 3.83Å; F735-L762 HydrophobicContact CB-CD2 4.45Å; F735-L762 HydrophobicContact CD2-CB 4.48Å; F735-L762 WeakPolarHBondContact CE1-O 3.38Å; F735-L762 VanDerWaalsContact CE2-O 3.25Å; F735-L762 WeakPolarHBondContact CE2-O 3.3Å; F735-L762 WeakPolarHBondContact CZ-O 3.24Å; F735-L763 HydrophobicContact CZ-CD1 4.21Å
736	D	93.5	Very high	95.1	Very high	52 Å²	52	50.3 Å²	50.3	28%	0.278	27%	0.266	S	S	.	.	S	Bend	trans	-83.5	-20.5	-177.5	74.5	21.2	0	0	0	115.6	D738 N750	D736-D738 WeakPolarHBondContact OD1-CB 3.29Å; D736-D738 PolarHBondContact OD1-N 2.81Å; D736-N750 VanDerWaalsContact OD2-CB 3.32Å; D736-N750 WeakPolarHBondContact OD2-CB 3.35Å; D736-N750 PolarHBondContact OD2-ND2 2.66Å
737	K	95.4	Very high	95.2	Very high	153 Å²	153	45.6 Å²	45.6	67%	0.665	24%	0.241	S	C	*	.			trans	69.4	35.5	-175.2	-65	100.4	-168.8	147.1	0	116.2	D734 F735	D734-K737 WeakPolarHBondContact O-CE 3.44Å; D734-K737 PolarHBondContact O-NZ 2.9Å; D734-K737 VanDerWaalsContact O-NZ 3.15Å; D734-K737 WeakPolarHBondContact OD1-CA 3.05Å; D734-K737 PolarHBondContact OD1-N 3.01Å; F735-K737 PolarHBondContact O-NZ 2.78Å
738	D	93.6	Very high	95.2	Very high	108 Å²	108	45.5 Å²	45.5	58%	0.578	24%	0.241	S	C	*	.	S	Bend	trans	-65.2	-39.8	160.8	163.3	-70	0	0	0	111.8	D736 Q740	D736-D738 WeakPolarHBondContact OD1-CB 3.29Å; D736-D738 PolarHBondContact OD1-N 2.81Å; D738-Q740 PolarHBondContact OD1-N 2.89Å
739	G	92.3	Very high	95.1	Very high	40 Å²	40	46 Å²	46	41%	0.412	24%	0.243	S	C	.	.	S	Bend	trans	104.6	3.8	-178.8	0	0	0	0	0	115.5
740	Q	95.1	Very high	95	Very high	76 Å²	76	50.1 Å²	50.1	36%	0.355	27%	0.266	S	S	.	.	S	Bend	trans	-78.4	-177.2	147	-157.2	158.9	-66	0	0	109	N723 D738 C744 D745	N723-Q740 PolarHBondContact ND2-O 2.85Å; N723-Q740 VanDerWaalsContact ND2-O 3.13Å; D738-Q740 PolarHBondContact OD1-N 2.89Å; Q740-C744 PolarHBondContact NE2-O 3.01Å; Q740-D745 VanDerWaalsContact CB-OD2 3.22Å; Q740-D745 WeakPolarHBondContact CB-OD2 3.07Å; Q740-D745 HydrophobicContact CG-CB 4.27Å; Q740-D745 VanDerWaalsContact CG-OD2 3.32Å; Q740-D745 WeakPolarHBondContact CG-OD2 3.16Å; Q740-D745 PolarHBondContact NE2-OD1 3.14Å; Q740-D745 PolarHBondContact NE2-OD2 2.82Å
741	G	95.8	Very high	95	Very high	1 Å²	1	51 Å²	51	1%	0.01	27%	0.27	C	S	.	.			trans	-139.6	154.3	-177.7	0	0	0	0	0	113.8	N723 C724 E733 A743 C744 D745	N723-G741 WeakPolarHBondContact ND2-CA 3.34Å; C724-G741 PolarHBondContact SG-O 3.32Å; C724-G741 VanDerWaalsContact SG-O 3.37Å; E733-G741 VanDerWaalsContact O-CA 3.29Å; E733-G741 WeakPolarHBondContact O-CA 3.47Å; G741-A743 PolarHBondContact O-N 3.14Å; G741-C744 PolarHBondContact O-N 3.4Å; G741-D745 PolarHBondContact O-N 3.21Å
742	D	95.1	Very high	95	Very high	21 Å²	21	52.9 Å²	52.9	11%	0.112	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-2	-173.4	-48.1	2.9	0	0	0	114.3	E733 D734 F735 R986	E733-D742 HydrophobicContact CB-CB 4.25Å; E733-D742 WeakPolarHBondContact CB-OD2 3.38Å; E733-D742 PolarHBondContact O-N 3.35Å; D734-D742 WeakPolarHBondContact CA-OD1 3.45Å; D734-D742 PolarHBondContact N-OD1 2.7Å; F735-D742 PolarHBondContact N-OD1 2.95Å; D742-R986 PolarHBondContact O-NH2 2.92Å
743	A	94.2	Very high	95	Very high	21 Å²	21	52.6 Å²	52.6	17%	0.174	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-26.8	171.4	0	0	0	0	0	113.5	L727 N729 G741 R986	L727-A743 HydrophobicContact CD2-CB 4.26Å; L727-A743 WeakPolarHBondContact CD2-O 3.45Å; N729-A743 HydrophobicContact CB-CB 3.33Å; G741-A743 PolarHBondContact O-N 3.14Å; A743-R986 VanDerWaalsContact CB-NH1 3.32Å
744	C	94.3	Very high	95	Very high	39 Å²	39	54.7 Å²	54.7	26%	0.264	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.4	0.3	-172.5	70.9	0	0	0	0	114.7	C724 L727 Q740 G741	C724-C744 WeakPolarHBondContact CA-SG 3.44Å; C724-C744 HydrophobicContact CB-CB 3.61Å; C724-C744 WeakPolarHBondContact CB-SG 3.05Å; C724-C744 WeakPolarHBondContact SG-CB 3.33Å; C724-C744 PolarHBondContact SG-N 3.15Å; C724-C744 VanDerWaalsContact SG-N 3.44Å; C724-C744 CovalentContact SG-SG 2.03Å; C724-C744 PolarHBondContact SG-SG 2.87Å; L727-C744 HydrophobicContact CD2-CB 4.29Å; Q740-C744 PolarHBondContact NE2-O 3.01Å; G741-C744 PolarHBondContact O-N 3.4Å
745	D	95.1	Very high	94.8	Very high	39 Å²	39	54.7 Å²	54.7	21%	0.209	30%	0.3	C	S	.	.			trans	-78.5	-172.9	163.2	-132.3	-43.3	0	0	0	113.4	Q740 G741	Q740-D745 VanDerWaalsContact CB-OD2 3.22Å; Q740-D745 WeakPolarHBondContact CB-OD2 3.07Å; Q740-D745 HydrophobicContact CG-CB 4.27Å; Q740-D745 VanDerWaalsContact CG-OD2 3.32Å; Q740-D745 WeakPolarHBondContact CG-OD2 3.16Å; Q740-D745 PolarHBondContact NE2-OD1 3.14Å; Q740-D745 PolarHBondContact NE2-OD2 2.82Å; G741-D745 PolarHBondContact O-N 3.21Å
746	K	94.7	Very high	94.5	Very high	133 Å²	133	59.7 Å²	59.7	58%	0.578	32%	0.324	S	S	*	.	S	Bend	trans	-149.1	5.6	-164.6	-55.5	-171.5	-177.7	-170.7	0	112.6	M754 D755	K746-M754 WeakPolarHBondContact O-CA 3.27Å; K746-M754 WeakPolarHBondContact O-CB 3.39Å; K746-M754 VanDerWaalsContact O-CG 3.28Å; K746-M754 WeakPolarHBondContact O-CG 3.41Å; K746-D755 WeakPolarHBondContact CA-OD2 2.99Å
747	D	95.7	Very high	94.5	Very high	33 Å²	33	64 Å²	64	18%	0.176	34%	0.337	C	S	.	.	S	Bend	trans	-172.6	54.6	-165.8	-162	-4.2	0	0	0	105.1	D749 N750 D751 G752 I753 D755	D747-D749 PolarHBondContact O-N 3.09Å; D747-N750 PolarHBondContact O-N 3.19Å; D747-D751 PolarHBondContact OD1-N 2.87Å; D747-G752 PolarHBondContact OD1-N 2.04Å; D747-G752 VanDerWaalsContact OD2-CA 3.29Å; D747-G752 WeakPolarHBondContact OD2-CA 3.44Å; D747-G752 PolarHBondContact OD2-N 2.82Å; D747-I753 PolarHBondContact OD1-N 2.87Å; D747-D755 WeakPolarHBondContact CA-OD1 3.44Å; D747-D755 PolarHBondContact N-OD1 2.87Å; D747-D755 PolarHBondContact N-OD2 3.31Å
748	D	95.7	Very high	94.6	Very high	17 Å²	17	57.6 Å²	57.6	9%	0.091	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-17.5	-162.8	-74.2	-16	0	0	0	114.7	D755 L762	D748-D755 PolarHBondContact N-OD1 2.82Å; D748-L762 HydrophobicContact CB-CD2 3.86Å
749	D	95.3	Very high	94.6	Very high	10 Å²	10	53.2 Å²	53.2	5%	0.053	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	5.5	177.9	65.9	15.1	0	0	0	114.9	F735 D747 D751 L763 Y764	F735-D749 HydrophobicContact CD1-CB 3.82Å; F735-D749 HydrophobicContact CE1-CB 3.83Å; D747-D749 PolarHBondContact O-N 3.09Å; D749-D751 PolarHBondContact O-N 3.22Å; D749-D751 WeakPolarHBondContact OD1-CB 3.36Å; D749-D751 PolarHBondContact OD1-N 3.17Å; D749-L763 VanDerWaalsContact OD2-C 3.26Å; D749-L763 PolarHBondContact OD2-N 3.05Å; D749-Y764 WeakPolarHBondContact OD2-CA 3.47Å; D749-Y764 PolarHBondContact OD2-N 2.03Å
750	N	96.2	Very high	94.8	Very high	88 Å²	88	51.4 Å²	51.4	47%	0.471	27%	0.267	S	S	.	.			trans	51.8	34.4	-175.9	-111.1	-87.4	0	0	0	114.5	D736 D747 G752	D736-N750 VanDerWaalsContact OD2-CB 3.32Å; D736-N750 WeakPolarHBondContact OD2-CB 3.35Å; D736-N750 PolarHBondContact OD2-ND2 2.66Å; D747-N750 PolarHBondContact O-N 3.19Å; N750-G752 VanDerWaalsContact C-N 3.33Å
751	D	95.9	Very high	94.8	Very high	18 Å²	18	49.9 Å²	49.9	10%	0.096	26%	0.264	C	S	.	.	S	Bend	trans	-60.4	-39	171.4	175.5	-57	0	0	0	112.8	D747 D749 I753 Y764 N765 P766	D747-D751 PolarHBondContact OD1-N 2.87Å; D749-D751 PolarHBondContact O-N 3.22Å; D749-D751 WeakPolarHBondContact OD1-CB 3.36Å; D749-D751 PolarHBondContact OD1-N 3.17Å; D751-I753 VanDerWaalsContact OD1-CD1 3.26Å; D751-I753 WeakPolarHBondContact OD1-CD1 3.05Å; D751-I753 WeakPolarHBondContact OD1-CG1 3.34Å; D751-I753 PolarHBondContact OD1-N 3.14Å; D751-Y764 HydrophobicContact CB-CD2 4.15Å; D751-N765 WeakPolarHBondContact OD2-CA 3.48Å; D751-N765 PolarHBondContact OD2-N 2.84Å; D751-N765 PolarHBondContact OD2-OD1 2.81Å; D751-P766 HydrophobicContact CB-CG 4.37Å; D751-P766 VanDerWaalsContact CG-CG 3.47Å; D751-P766 WeakPolarHBondContact OD1-CA 3.27Å; D751-P766 VanDerWaalsContact OD1-CB 3.32Å; D751-P766 WeakPolarHBondContact OD1-CB 3.34Å; D751-P766 WeakPolarHBondContact OD2-CA 3.01Å; D751-P766 WeakPolarHBondContact OD2-CB 3.33Å; D751-P766 WeakPolarHBondContact OD2-CD 3.43Å; D751-P766 WeakPolarHBondContact OD2-CG 3.29Å
752	G	94.8	Very high	94.7	Very high	59 Å²	59	54 Å²	54	61%	0.608	29%	0.285	S	S	*	.	S	Bend	trans	99.2	13.3	-170.6	0	0	0	0	0	113.8	D747 N750	D747-G752 PolarHBondContact OD1-N 2.04Å; D747-G752 VanDerWaalsContact OD2-CA 3.29Å; D747-G752 WeakPolarHBondContact OD2-CA 3.44Å; D747-G752 PolarHBondContact OD2-N 2.82Å; N750-G752 VanDerWaalsContact C-N 3.33Å
753	I	95.8	Very high	94.7	Very high	31 Å²	31	56 Å²	56	16%	0.159	30%	0.295	C	S	.	.	S	Bend	trans	-97.2	-155.7	168.2	-68	171	0	0	0	106.6	D747 D751 D758 Q768	D747-I753 PolarHBondContact OD1-N 2.87Å; D751-I753 VanDerWaalsContact OD1-CD1 3.26Å; D751-I753 WeakPolarHBondContact OD1-CD1 3.05Å; D751-I753 WeakPolarHBondContact OD1-CG1 3.34Å; D751-I753 PolarHBondContact OD1-N 3.14Å; I753-D758 WeakPolarHBondContact CB-OD2 3.49Å; I753-D758 HydrophobicContact CG2-CB 3.95Å; I753-D758 WeakPolarHBondContact CG2-OD2 2.97Å; I753-Q768 HydrophobicContact CD1-CG 3.48Å; I753-Q768 VanDerWaalsContact CD1-CG 3.48Å
754	M	95.1	Very high	94.7	Very high	90 Å²	90	61 Å²	61	44%	0.443	31%	0.311	S	S	.	.			trans	-148.5	139.9	169.6	-66.4	167.7	159.2	0	0	107.7	K746 E756 R757 D758	K746-M754 WeakPolarHBondContact O-CA 3.27Å; K746-M754 WeakPolarHBondContact O-CB 3.39Å; K746-M754 VanDerWaalsContact O-CG 3.28Å; K746-M754 WeakPolarHBondContact O-CG 3.41Å; M754-E756 VanDerWaalsContact C-N 3.28Å; M754-E756 PolarHBondContact O-N 2.92Å; M754-E756 VanDerWaalsContact O-N 3.14Å; M754-R757 VanDerWaalsContact CB-NH2 3.33Å; M754-R757 CarbonylContact O-C 3.56Å; M754-R757 VanDerWaalsContact O-C 3.31Å; M754-R757 VanDerWaalsContact O-CA 3.31Å; M754-R757 WeakPolarHBondContact O-CA 3.33Å; M754-R757 WeakPolarHBondContact O-CB 3.19Å; M754-R757 PolarHBondContact O-N 2.73Å; M754-R757 PolarHBondContact SD-NH2 3.38Å; M754-D758 PolarHBondContact O-N 2.82Å; M754-D758 VanDerWaalsContact O-N 3.11Å
755	D	91.1	Very high	94.8	Very high	40 Å²	40	59.4 Å²	59.4	21%	0.214	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-52.5	-40	-169.2	-22.3	-62.1	0	0	0	113.2	K746 D747 D748 R757 D758 P761	K746-D755 WeakPolarHBondContact CA-OD2 2.99Å; D747-D755 WeakPolarHBondContact CA-OD1 3.44Å; D747-D755 PolarHBondContact N-OD1 2.87Å; D747-D755 PolarHBondContact N-OD2 3.31Å; D748-D755 PolarHBondContact N-OD1 2.82Å; D755-R757 PolarHBondContact O-N 3.12Å; D755-D758 PolarHBondContact O-N 3.47Å; D755-D758 VanDerWaalsContact O-N 3.12Å; D755-P761 HydrophobicContact CB-CB 4.02Å; D755-P761 HydrophobicContact CB-CG 4.26Å
756	E	90.3	Very high	94.8	Very high	185 Å²	185	60.5 Å²	60.5	86%	0.864	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-54.2	-11.5	171.9	-66.6	-173.2	166.3	0	0	114.7	M754	M754-E756 VanDerWaalsContact C-N 3.28Å; M754-E756 PolarHBondContact O-N 2.92Å; M754-E756 VanDerWaalsContact O-N 3.14Å
757	R	93.8	Very high	94.9	Very high	143 Å²	143	63.1 Å²	63.1	54%	0.54	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-143.2	14.1	-172.5	-54.8	179.1	-67.1	100.5	1.6	111.8	M754 D755 Q768	M754-R757 VanDerWaalsContact CB-NH2 3.33Å; M754-R757 CarbonylContact O-C 3.56Å; M754-R757 VanDerWaalsContact O-C 3.31Å; M754-R757 VanDerWaalsContact O-CA 3.31Å; M754-R757 WeakPolarHBondContact O-CA 3.33Å; M754-R757 WeakPolarHBondContact O-CB 3.19Å; M754-R757 PolarHBondContact O-N 2.73Å; M754-R757 PolarHBondContact SD-NH2 3.38Å; D755-R757 PolarHBondContact O-N 3.12Å; R757-Q768 PolarHBondContact O-OE1 2.83Å
758	D	96	Very high	94.9	Very high	17 Å²	17	64.3 Å²	64.3	9%	0.091	32%	0.319	C	S	.	.			trans	-109.6	133.3	179.2	-152	-62.5	0	0	0	110.4	I753 M754 D755 C760 P761 N765 Q768	I753-D758 WeakPolarHBondContact CB-OD2 3.49Å; I753-D758 HydrophobicContact CG2-CB 3.95Å; I753-D758 WeakPolarHBondContact CG2-OD2 2.97Å; M754-D758 PolarHBondContact O-N 2.82Å; M754-D758 VanDerWaalsContact O-N 3.11Å; D755-D758 PolarHBondContact O-N 3.47Å; D755-D758 VanDerWaalsContact O-N 3.12Å; D758-C760 VanDerWaalsContact OD1-C 3.28Å; D758-C760 PolarHBondContact OD1-N 2.79Å; D758-P761 HydrophobicContact CB-CG 4.2Å; D758-N765 PolarHBondContact OD1-OD1 2.88Å; D758-Q768 PolarHBondContact OD1-NE2 2.74Å; D758-Q768 PolarHBondContact OD2-NE2 2.73Å
759	N	95.1	Very high	95	Very high	17 Å²	17	68.9 Å²	68.9	9%	0.091	34%	0.339	C	S	.	.	S	Bend	trans	-91	-0.2	175.6	72.8	-15.4	0	0	0	114.5	N765 Q768 F769 D770 E775 V776 G777 C780	N759-N765 PolarHBondContact OD1-ND2 3.24Å; N759-Q768 VanDerWaalsContact OD1-CD 3.25Å; N759-Q768 PolarHBondContact OD1-NE2 2.53Å; N759-Q768 PolarHBondContact OD1-OE1 2.93Å; N759-Q768 VanDerWaalsContact OD1-OE1 3.14Å; N759-F769 PolarHBondContact ND2-O 3.03Å; N759-D770 WeakPolarHBondContact ND2-CB 3.3Å; N759-E775 VanDerWaalsContact CB-O 3.26Å; N759-E775 WeakPolarHBondContact CB-O 3.42Å; N759-V776 PolarHBondContact ND2-O 3.22Å; N759-V776 CarbonylContact O-C 3.59Å; N759-V776 WeakPolarHBondContact O-CA 3.34Å; N759-G777 VanDerWaalsContact CG-CA 3.48Å; N759-G777 WeakPolarHBondContact ND2-CA 2.99Å; N759-G777 PolarHBondContact O-N 2.78Å; N759-C780 PolarHBondContact O-SG 3.05Å
760	C	95.6	Very high	95	Very high	2 Å²	2	70.9 Å²	70.9	1%	0.014	35%	0.349	C	S	.	.			trans	-143.3	67.1	163	-63.9	0	0	0	0	111.7	D758 L762 L763 N765 G777 C780	D758-C760 VanDerWaalsContact OD1-C 3.28Å; D758-C760 PolarHBondContact OD1-N 2.79Å; C760-L762 PolarHBondContact O-N 2.99Å; C760-L763 HydrophobicContact CB-CB 4.2Å; C760-L763 PolarHBondContact O-N 3.47Å; C760-N765 HydrophobicContact CB-CB 4.39Å; C760-N765 VanDerWaalsContact CB-ND2 3.29Å; C760-N765 WeakPolarHBondContact CB-ND2 3.42Å; C760-N765 PolarHBondContact SG-ND2 2.89Å; C760-N765 VanDerWaalsContact SG-ND2 3.37Å; C760-G777 PolarHBondContact SG-O 3.18Å; C760-C780 WeakPolarHBondContact CA-SG 3.13Å; C760-C780 HydrophobicContact CB-CB 3.7Å; C760-C780 WeakPolarHBondContact CB-SG 3.21Å; C760-C780 WeakPolarHBondContact SG-CB 3.28Å; C760-C780 PolarHBondContact SG-N 2.79Å; C760-C780 CovalentContact SG-SG 2.03Å; C760-C780 PolarHBondContact SG-SG 2.88Å
761	P	94.4	Very high	95.1	Very high	44 Å²	44	72.6 Å²	72.6	29%	0.286	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-31.1	-176.1	-28.7	34.6	0	0	0	115.7	D755 D758	D755-P761 HydrophobicContact CB-CB 4.02Å; D755-P761 HydrophobicContact CB-CG 4.26Å; D758-P761 HydrophobicContact CB-CG 4.2Å
762	L	94.1	Very high	95.1	Very high	88 Å²	88	73.8 Å²	73.8	46%	0.461	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	25.5	-179.6	-53	178.1	0	0	0	113	F735 D748 C760	F735-L762 HydrophobicContact CB-CD2 4.45Å; F735-L762 HydrophobicContact CD2-CB 4.48Å; F735-L762 WeakPolarHBondContact CE1-O 3.38Å; F735-L762 VanDerWaalsContact CE2-O 3.25Å; F735-L762 WeakPolarHBondContact CE2-O 3.3Å; F735-L762 WeakPolarHBondContact CZ-O 3.24Å; D748-L762 HydrophobicContact CB-CD2 3.86Å; C760-L762 PolarHBondContact O-N 2.99Å
763	L	95.1	Very high	95.1	Very high	61 Å²	61	77 Å²	77	32%	0.319	36%	0.357	S	S	.	.	S	Bend	trans	-161.6	65.9	-178.5	-159.3	66.6	0	0	0	118.5	F735 D749 C760 N765 R779 C780	F735-L763 HydrophobicContact CZ-CD1 4.21Å; D749-L763 VanDerWaalsContact OD2-C 3.26Å; D749-L763 PolarHBondContact OD2-N 3.05Å; C760-L763 HydrophobicContact CB-CB 4.2Å; C760-L763 PolarHBondContact O-N 3.47Å; L763-N765 PolarHBondContact O-N 3.4Å; L763-R779 HydrophobicContact CD2-CB 4.15Å; L763-R779 WeakPolarHBondContact CD2-O 3.5Å; L763-C780 HydrophobicContact CB-CB 4.18Å; L763-C780 HydrophobicContact CD2-CB 3.92Å
764	Y	95.4	Very high	95	Very high	126 Å²	126	75.9 Å²	75.9	49%	0.494	35%	0.351	S	S	.	.			trans	4.9	93.3	175	-172.7	-87.6	0	0	0	114.9	D749 D751 P766 R779	D749-Y764 WeakPolarHBondContact OD2-CA 3.47Å; D749-Y764 PolarHBondContact OD2-N 2.03Å; D751-Y764 HydrophobicContact CB-CD2 4.15Å; Y764-P766 HydrophobicContact CD1-CG 4.09Å; Y764-P766 HydrophobicContact CD2-CG 4.47Å; Y764-P766 HydrophobicContact CE1-CG 3.54Å; Y764-P766 HydrophobicContact CE2-CG 4.01Å; Y764-P766 VanDerWaalsContact CZ-CG 3.48Å; Y764-R779 PolarHBondContact O-NH1 3.37Å
765	N	96	Very high	95	Very high	6 Å²	6	79.8 Å²	79.8	3%	0.032	37%	0.368	C	S	.	.			trans	-135	55.7	-173.2	76.7	-10.7	0	0	0	115.8	D751 D758 N759 C760 L763 R767 Q768 R779	D751-N765 WeakPolarHBondContact OD2-CA 3.48Å; D751-N765 PolarHBondContact OD2-N 2.84Å; D751-N765 PolarHBondContact OD2-OD1 2.81Å; D758-N765 PolarHBondContact OD1-OD1 2.88Å; N759-N765 PolarHBondContact OD1-ND2 3.24Å; C760-N765 HydrophobicContact CB-CB 4.39Å; C760-N765 VanDerWaalsContact CB-ND2 3.29Å; C760-N765 WeakPolarHBondContact CB-ND2 3.42Å; C760-N765 PolarHBondContact SG-ND2 2.89Å; C760-N765 VanDerWaalsContact SG-ND2 3.37Å; L763-N765 PolarHBondContact O-N 3.4Å; N765-R767 PolarHBondContact O-N 3.37Å; N765-Q768 PolarHBondContact ND2-NE2 2.77Å; N765-Q768 PolarHBondContact O-N 2.98Å; N765-Q768 PolarHBondContact OD1-NE2 2.96Å; N765-R779 HydrophobicContact CB-CB 4.2Å; N765-R779 VanDerWaalsContact CB-CD 3.48Å; N765-R779 HydrophobicContact CB-CG 3.74Å
766	P	95.4	Very high	95.2	Very high	62 Å²	62	78.8 Å²	78.8	40%	0.403	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	22.9	-154.8	-15.4	24.1	0	0	0	118.1	D751 Y764	D751-P766 HydrophobicContact CB-CG 4.37Å; D751-P766 VanDerWaalsContact CG-CG 3.47Å; D751-P766 WeakPolarHBondContact OD1-CA 3.27Å; D751-P766 VanDerWaalsContact OD1-CB 3.32Å; D751-P766 WeakPolarHBondContact OD1-CB 3.34Å; D751-P766 WeakPolarHBondContact OD2-CA 3.01Å; D751-P766 WeakPolarHBondContact OD2-CB 3.33Å; D751-P766 WeakPolarHBondContact OD2-CD 3.43Å; D751-P766 WeakPolarHBondContact OD2-CG 3.29Å; Y764-P766 HydrophobicContact CD1-CG 4.09Å; Y764-P766 HydrophobicContact CD2-CG 4.47Å; Y764-P766 HydrophobicContact CE1-CG 3.54Å; Y764-P766 HydrophobicContact CE2-CG 4.01Å; Y764-P766 VanDerWaalsContact CZ-CG 3.48Å
767	R	95.9	Very high	95.5	Very high	189 Å²	189	70 Å²	70	71%	0.713	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	-13	173.6	-55.9	-169.8	-175.5	120.6	10.1	113	N765 F769	N765-R767 PolarHBondContact O-N 3.37Å; R767-F769 HydrophobicContact CB-CD1 3.73Å; R767-F769 HydrophobicContact CB-CD2 4.35Å; R767-F769 HydrophobicContact CB-CE1 3.61Å; R767-F769 HydrophobicContact CB-CE2 4.25Å; R767-F769 HydrophobicContact CB-CG 4.12Å; R767-F769 HydrophobicContact CB-CZ 3.89Å; R767-F769 VanDerWaalsContact CD-CZ 3.43Å; R767-F769 HydrophobicContact CG-CE1 4.45Å; R767-F769 HydrophobicContact CG-CZ 4.31Å; R767-F769 PolarHBondContact O-N 3.5Å
768	Q	96.3	Very high	95.6	Very high	57 Å²	57	66.6 Å²	66.6	27%	0.266	32%	0.315	S	S	.	.			trans	47.6	60.5	-177.1	-61.3	-77.5	-66.4	0	0	109.8	I753 R757 D758 N759 N765	I753-Q768 HydrophobicContact CD1-CG 3.48Å; I753-Q768 VanDerWaalsContact CD1-CG 3.48Å; R757-Q768 PolarHBondContact O-OE1 2.83Å; D758-Q768 PolarHBondContact OD1-NE2 2.74Å; D758-Q768 PolarHBondContact OD2-NE2 2.73Å; N759-Q768 VanDerWaalsContact OD1-CD 3.25Å; N759-Q768 PolarHBondContact OD1-NE2 2.53Å; N759-Q768 PolarHBondContact OD1-OE1 2.93Å; N759-Q768 VanDerWaalsContact OD1-OE1 3.14Å; N765-Q768 PolarHBondContact ND2-NE2 2.77Å; N765-Q768 PolarHBondContact O-N 2.98Å; N765-Q768 PolarHBondContact OD1-NE2 2.96Å
769	F	97	Very high	95.6	Very high	114 Å²	114	72.8 Å²	72.8	50%	0.5	34%	0.337	S	S	.	.			trans	-84.5	134	173.4	-69.5	-16.3	0	0	0	108.2	N759 R767 G777 D778	N759-F769 PolarHBondContact ND2-O 3.03Å; R767-F769 HydrophobicContact CB-CD1 3.73Å; R767-F769 HydrophobicContact CB-CD2 4.35Å; R767-F769 HydrophobicContact CB-CE1 3.61Å; R767-F769 HydrophobicContact CB-CE2 4.25Å; R767-F769 HydrophobicContact CB-CG 4.12Å; R767-F769 HydrophobicContact CB-CZ 3.89Å; R767-F769 VanDerWaalsContact CD-CZ 3.43Å; R767-F769 HydrophobicContact CG-CE1 4.45Å; R767-F769 HydrophobicContact CG-CZ 4.31Å; R767-F769 PolarHBondContact O-N 3.5Å; F769-G777 CarbonylContact O-C 3.5Å; F769-G777 WeakPolarHBondContact O-CA 3.26Å; F769-D778 VanDerWaalsContact C-OD1 3.32Å; F769-D778 HydrophobicContact CB-CB 3.93Å; F769-D778 WeakPolarHBondContact CB-OD2 3.46Å; F769-D778 PolarHBondContact O-N 2.78Å
770	D	96.3	Very high	95.6	Very high	51 Å²	51	74.1 Å²	74.1	27%	0.273	35%	0.347	S	S	.	.			trans	-151.6	126.6	-177.1	137.9	26.8	0	0	0	104.4	N759 D772 K773 D778	N759-D770 WeakPolarHBondContact ND2-CB 3.3Å; D770-D772 PolarHBondContact OD1-N 3.18Å; D770-K773 WeakPolarHBondContact OD1-CA 3.49Å; D770-K773 WeakPolarHBondContact OD1-CG 3.19Å; D770-K773 PolarHBondContact OD1-N 3.35Å; D770-K773 WeakPolarHBondContact OD2-CG 3.43Å; D770-D778 VanDerWaalsContact CA-OD1 3.27Å; D770-D778 WeakPolarHBondContact CA-OD1 3.34Å; D770-D778 PolarHBondContact N-OD1 3.19Å
771	F	97.1	Very high	95.6	Very high	124 Å²	124	74.7 Å²	74.7	54%	0.544	35%	0.35	S	S	.	.	S	Bend	trans	-89.7	-49.6	-171.3	-179.5	-96.1	0	0	0	112.9	K773 D778 Y785	F771-K773 PolarHBondContact O-NZ 3.33Å; F771-D778 PolarHBondContact N-OD1 3.02Å; F771-Y785 AromaticContact CD1-CD1 3.87Å; F771-Y785 HydrophobicContact CD1-CD1 3.87Å; F771-Y785 AromaticContact CE1-CD1 3.81Å; F771-Y785 HydrophobicContact CE1-CD1 3.81Å; F771-Y785 HydrophobicContact CG-CD1 4.25Å; F771-Y785 HydrophobicContact CZ-CD1 4.13Å
772	D	95.7	Very high	95.7	Very high	43 Å²	43	73.7 Å²	73.7	23%	0.23	34%	0.342	C	S	.	.	S	Bend	trans	-106.4	-25.2	-169.9	52.6	20.2	0	0	0	114.6	D770 E786 H787	D770-D772 PolarHBondContact OD1-N 3.18Å; D772-E786 PolarHBondContact OD2-N 3.35Å; D772-H787 PolarHBondContact OD2-N 3.31Å
773	K	96.3	Very high	95.8	Very high	128 Å²	128	69.6 Å²	69.6	56%	0.557	32%	0.321	S	S	*	.			trans	83.7	59.3	175.2	-58.8	146.3	-155.1	71.9	0	114.5	D770 F771	D770-K773 WeakPolarHBondContact OD1-CA 3.49Å; D770-K773 WeakPolarHBondContact OD1-CG 3.19Å; D770-K773 PolarHBondContact OD1-N 3.35Å; D770-K773 WeakPolarHBondContact OD2-CG 3.43Å; F771-K773 PolarHBondContact O-NZ 3.33Å
774	D	93.9	Very high	95.9	Very high	6 Å²	6	68.5 Å²	68.5	3%	0.032	32%	0.318	C	S	.	.	S	Bend	trans	-92.4	-3.7	166.9	88.1	-31.6	0	0	0	113.5	V776 H787 N788 P789	D774-V776 WeakPolarHBondContact OD1-CA 3.33Å; D774-V776 WeakPolarHBondContact OD1-CB 3.28Å; D774-V776 PolarHBondContact OD1-N 2.88Å; D774-H787 VanDerWaalsContact CA-CD2 3.47Å; D774-H787 WeakPolarHBondContact CA-CD2 3Å; D774-H787 HydrophobicContact CB-CB 3.85Å; D774-H787 VanDerWaalsContact CB-CD2 3.43Å; D774-H787 WeakPolarHBondContact CB-CD2 3.02Å; D774-H787 VanDerWaalsContact CB-CG 3.41Å; D774-N788 PolarHBondContact OD2-N 3.09Å; D774-P789 HydrophobicContact CB-CG 3.84Å; D774-P789 WeakPolarHBondContact O-CB 3.23Å; D774-P789 WeakPolarHBondContact O-CG 3.16Å; D774-P789 WeakPolarHBondContact OD2-CA 3.23Å; D774-P789 VanDerWaalsContact OD2-N 3.09Å
775	E	94.5	Very high	95.9	Very high	172 Å²	172	70.1 Å²	70.1	80%	0.804	32%	0.324	S	S	*	.	S	Bend	trans	81.7	7.8	-176.9	-49	-171.5	168.3	0	0	115.4	N759	N759-E775 VanDerWaalsContact CB-O 3.26Å; N759-E775 WeakPolarHBondContact CB-O 3.42Å
776	V	95.6	Very high	96	Very high	20 Å²	20	76 Å²	76	12%	0.121	35%	0.351	C	S	.	.			trans	-98	164	163.9	-166.9	0	0	0	0	109.7	N759 D774 C780 D781 Q791	N759-V776 PolarHBondContact ND2-O 3.22Å; N759-V776 CarbonylContact O-C 3.59Å; N759-V776 WeakPolarHBondContact O-CA 3.34Å; D774-V776 WeakPolarHBondContact OD1-CA 3.33Å; D774-V776 WeakPolarHBondContact OD1-CB 3.28Å; D774-V776 PolarHBondContact OD1-N 2.88Å; V776-C780 VanDerWaalsContact CG1-SG 3.55Å; V776-D781 HydrophobicContact CG1-CB 3.97Å; V776-Q791 HydrophobicContact CG1-CG 4.11Å; V776-Q791 HydrophobicContact CG2-CG 3.89Å
777	G	96.1	Very high	96	Very high	0 Å²	0	78.3 Å²	78.3	0%	0	36%	0.356	C	S	.	.			trans	-115.1	148	-175.8	0	0	0	0	0	115.9	N759 C760 F769 R779 C780 D781	N759-G777 VanDerWaalsContact CG-CA 3.48Å; N759-G777 WeakPolarHBondContact ND2-CA 2.99Å; N759-G777 PolarHBondContact O-N 2.78Å; C760-G777 PolarHBondContact SG-O 3.18Å; F769-G777 CarbonylContact O-C 3.5Å; F769-G777 WeakPolarHBondContact O-CA 3.26Å; G777-R779 PolarHBondContact O-N 3Å; G777-C780 PolarHBondContact O-N 2.93Å; G777-C780 PolarHBondContact O-SG 3.2Å; G777-D781 VanDerWaalsContact O-CB 3.25Å; G777-D781 WeakPolarHBondContact O-CB 3.5Å; G777-D781 PolarHBondContact O-N 3.14Å
778	D	95.3	Very high	95.9	Very high	71 Å²	71	70.1 Å²	70.1	38%	0.38	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-38.7	-14.5	178.1	-82.4	30.5	0	0	0	117.1	F769 D770 F771	F769-D778 VanDerWaalsContact C-OD1 3.32Å; F769-D778 HydrophobicContact CB-CB 3.93Å; F769-D778 WeakPolarHBondContact CB-OD2 3.46Å; F769-D778 PolarHBondContact O-N 2.78Å; D770-D778 VanDerWaalsContact CA-OD1 3.27Å; D770-D778 WeakPolarHBondContact CA-OD1 3.34Å; D770-D778 PolarHBondContact N-OD1 3.19Å; F771-D778 PolarHBondContact N-OD1 3.02Å
779	R	95.7	Very high	95.6	Very high	148 Å²	148	71.1 Å²	71.1	56%	0.558	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	-37.6	-176.7	-56.7	-148.4	73	-144.8	-15.1	113.9	L763 Y764 N765 G777	L763-R779 HydrophobicContact CD2-CB 4.15Å; L763-R779 WeakPolarHBondContact CD2-O 3.5Å; Y764-R779 PolarHBondContact O-NH1 3.37Å; N765-R779 HydrophobicContact CB-CB 4.2Å; N765-R779 VanDerWaalsContact CB-CD 3.48Å; N765-R779 HydrophobicContact CB-CG 3.74Å; G777-R779 PolarHBondContact O-N 3Å
780	C	95.1	Very high	95.2	Very high	45 Å²	45	69.4 Å²	69.4	30%	0.304	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-21	-176.6	58.1	0	0	0	0	112.2	N759 C760 L763 V776 G777 N782	N759-C780 PolarHBondContact O-SG 3.05Å; C760-C780 WeakPolarHBondContact CA-SG 3.13Å; C760-C780 HydrophobicContact CB-CB 3.7Å; C760-C780 WeakPolarHBondContact CB-SG 3.21Å; C760-C780 WeakPolarHBondContact SG-CB 3.28Å; C760-C780 PolarHBondContact SG-N 2.79Å; C760-C780 CovalentContact SG-SG 2.03Å; C760-C780 PolarHBondContact SG-SG 2.88Å; L763-C780 HydrophobicContact CB-CB 4.18Å; L763-C780 HydrophobicContact CD2-CB 3.92Å; V776-C780 VanDerWaalsContact CG1-SG 3.55Å; G777-C780 PolarHBondContact O-N 2.93Å; G777-C780 PolarHBondContact O-SG 3.2Å; C780-N782 PolarHBondContact O-N 2.9Å
781	D	96.7	Very high	95	Very high	14 Å²	14	69.1 Å²	69.1	8%	0.075	34%	0.342	C	S	.	.			trans	-58.4	122.9	175.2	-175.1	0.8	0	0	0	111.8	V776 G777 C783 P784 N788 Q791	V776-D781 HydrophobicContact CG1-CB 3.97Å; G777-D781 VanDerWaalsContact O-CB 3.25Å; G777-D781 WeakPolarHBondContact O-CB 3.5Å; G777-D781 PolarHBondContact O-N 3.14Å; D781-C783 WeakPolarHBondContact OD1-CA 3.33Å; D781-C783 PolarHBondContact OD1-N 2.86Å; D781-P784 HydrophobicContact CB-CG 4.39Å; D781-P784 WeakPolarHBondContact O-CD 3.41Å; D781-P784 WeakPolarHBondContact O-CG 3.4Å; D781-P784 WeakPolarHBondContact OD2-CA 3.11Å; D781-N788 PolarHBondContact OD1-OD1 3.02Å; D781-Q791 VanDerWaalsContact CA-OE1 3.29Å; D781-Q791 PolarHBondContact OD1-NE2 2.65Å
782	N	96.2	Very high	94.8	Very high	22 Å²	22	67.8 Å²	67.8	12%	0.118	34%	0.34	C	S	.	.	S	Bend	trans	-84	-9.1	176.3	69.8	5.6	0	0	0	113.5	C780 N788 Q791 G800 C803	C780-N782 PolarHBondContact O-N 2.9Å; N782-N788 PolarHBondContact OD1-ND2 3.36Å; N782-Q791 VanDerWaalsContact CG-OE1 3.29Å; N782-Q791 PolarHBondContact ND2-O 3.39Å; N782-Q791 VanDerWaalsContact ND2-O 3.08Å; N782-Q791 PolarHBondContact OD1-OE1 2.81Å; N782-Q791 VanDerWaalsContact OD1-OE1 3.1Å; N782-G800 PolarHBondContact O-N 2.81Å; N782-C803 PolarHBondContact O-SG 3.28Å
783	C	96.9	Very high	94.6	Very high	2 Å²	2	67.2 Å²	67.2	1%	0.014	34%	0.336	C	S	.	.	S	Bend	trans	-133.3	68.5	167	-70	0	0	0	0	113.4	D781 Y785 E786 N788 G800 C803	D781-C783 WeakPolarHBondContact OD1-CA 3.33Å; D781-C783 PolarHBondContact OD1-N 2.86Å; C783-Y785 PolarHBondContact O-N 2.03Å; C783-E786 PolarHBondContact O-N 2.88Å; C783-N788 WeakPolarHBondContact CB-OD1 3.3Å; C783-G800 VanDerWaalsContact SG-C 3.54Å; C783-G800 VanDerWaalsContact SG-CA 3.51Å; C783-G800 PolarHBondContact SG-N 2.95Å; C783-G800 PolarHBondContact SG-O 3.3Å; C783-C803 WeakPolarHBondContact CA-SG 3.46Å; C783-C803 HydrophobicContact CB-CB 3.7Å; C783-C803 WeakPolarHBondContact CB-SG 3.06Å; C783-C803 WeakPolarHBondContact SG-CB 3.37Å; C783-C803 PolarHBondContact SG-N 3Å; C783-C803 CovalentContact SG-SG 2.04Å; C783-C803 PolarHBondContact SG-SG 3.26Å
784	P	96.7	Very high	94.4	Very high	39 Å²	39	63 Å²	63	25%	0.253	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	11.2	-173.8	-30.3	38.1	0	0	0	121.1	D781	D781-P784 HydrophobicContact CB-CG 4.39Å; D781-P784 WeakPolarHBondContact O-CD 3.41Å; D781-P784 WeakPolarHBondContact O-CG 3.4Å; D781-P784 WeakPolarHBondContact OD2-CA 3.11Å
785	Y	96.4	Very high	94.3	Very high	160 Å²	160	65.6 Å²	65.6	63%	0.627	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-146.3	-4.8	-179.2	-49.1	-76.8	0	0	0	114.6	F771 C783	F771-Y785 AromaticContact CD1-CD1 3.87Å; F771-Y785 HydrophobicContact CD1-CD1 3.87Å; F771-Y785 AromaticContact CE1-CD1 3.81Å; F771-Y785 HydrophobicContact CE1-CD1 3.81Å; F771-Y785 HydrophobicContact CG-CD1 4.25Å; F771-Y785 HydrophobicContact CZ-CD1 4.13Å; C783-Y785 PolarHBondContact O-N 2.03Å
786	E	96.3	Very high	94.1	Very high	129 Å²	129	64.9 Å²	64.9	60%	0.603	33%	0.332	S	S	*	.	S	Bend	trans	-138.2	58.9	-170.3	-61.8	-69.2	175.1	0	0	114.2	D772 C783 N788	D772-E786 PolarHBondContact OD2-N 3.35Å; C783-E786 PolarHBondContact O-N 2.88Å; E786-N788 PolarHBondContact O-N 3.48Å
787	H	95.4	Very high	94	Very high	111 Å²	111	68.4 Å²	68.4	51%	0.514	35%	0.35	S	S	.	.			trans	13.2	96.8	167.8	178.1	-58.1	0	0	0	117.1	D772 D774	D772-H787 PolarHBondContact OD2-N 3.31Å; D774-H787 VanDerWaalsContact CA-CD2 3.47Å; D774-H787 WeakPolarHBondContact CA-CD2 3Å; D774-H787 HydrophobicContact CB-CB 3.85Å; D774-H787 VanDerWaalsContact CB-CD2 3.43Å; D774-H787 WeakPolarHBondContact CB-CD2 3.02Å; D774-H787 VanDerWaalsContact CB-CG 3.41Å
788	N	94.7	Very high	93.9	Very high	17 Å²	17	70.8 Å²	70.8	9%	0.091	38%	0.375	C	S	.	.			trans	-143.8	75.8	-179.1	65	-38.3	0	0	0	112.2	D774 D781 N782 C783 E786 A790 Q791 A802	D774-N788 PolarHBondContact OD2-N 3.09Å; D781-N788 PolarHBondContact OD1-OD1 3.02Å; N782-N788 PolarHBondContact OD1-ND2 3.36Å; C783-N788 WeakPolarHBondContact CB-OD1 3.3Å; E786-N788 PolarHBondContact O-N 3.48Å; N788-A790 PolarHBondContact O-N 2.81Å; N788-Q791 PolarHBondContact O-N 3.42Å; N788-Q791 PolarHBondContact O-NE2 3.45Å; N788-Q791 PolarHBondContact OD1-NE2 2.63Å; N788-A802 HydrophobicContact CB-CB 3.54Å
789	P	90.5	Very high	93.9	Very high	77 Å²	77	72.4 Å²	72.4	50%	0.5	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-19.3	-170.9	-17.8	25.1	0	0	0	115.2	D774	D774-P789 HydrophobicContact CB-CG 3.84Å; D774-P789 WeakPolarHBondContact O-CB 3.23Å; D774-P789 WeakPolarHBondContact O-CG 3.16Å; D774-P789 WeakPolarHBondContact OD2-CA 3.23Å; D774-P789 VanDerWaalsContact OD2-N 3.09Å
790	A	87.8	Confident	93.9	Very high	78 Å²	78	65.3 Å²	65.3	65%	0.645	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-11.7	177.8	0	0	0	0	0	113.5	N788 I792	N788-A790 PolarHBondContact O-N 2.81Å; A790-I792 HydrophobicContact CB-CD1 4.16Å; A790-I792 HydrophobicContact CB-CG1 3.89Å; A790-I792 PolarHBondContact O-N 3.02Å
791	Q	92.9	Very high	94	Very high	45 Å²	45	64.7 Å²	64.7	21%	0.21	35%	0.347	C	S	.	.			trans	50.3	35.5	174.2	-65.1	-75.2	-55.8	0	0	114	V776 D781 N782 N788	V776-Q791 HydrophobicContact CG1-CG 4.11Å; V776-Q791 HydrophobicContact CG2-CG 3.89Å; D781-Q791 VanDerWaalsContact CA-OE1 3.29Å; D781-Q791 PolarHBondContact OD1-NE2 2.65Å; N782-Q791 VanDerWaalsContact CG-OE1 3.29Å; N782-Q791 PolarHBondContact ND2-O 3.39Å; N782-Q791 VanDerWaalsContact ND2-O 3.08Å; N782-Q791 PolarHBondContact OD1-OE1 2.81Å; N782-Q791 VanDerWaalsContact OD1-OE1 3.1Å; N788-Q791 PolarHBondContact O-N 3.42Å; N788-Q791 PolarHBondContact O-NE2 3.45Å; N788-Q791 PolarHBondContact OD1-NE2 2.63Å
792	I	91.5	Very high	93.9	Very high	97 Å²	97	66.6 Å²	66.6	50%	0.497	36%	0.364	S	S	.	.			trans	-65.8	135.6	179.3	-51.1	177.8	0	0	0	109.2	A790 G800 D801	A790-I792 HydrophobicContact CB-CD1 4.16Å; A790-I792 HydrophobicContact CB-CG1 3.89Å; A790-I792 PolarHBondContact O-N 3.02Å; I792-G800 CarbonylContact O-C 3.57Å; I792-G800 VanDerWaalsContact O-CA 3.26Å; I792-G800 WeakPolarHBondContact O-CA 3.4Å; I792-D801 VanDerWaalsContact CG2-OD2 3.32Å; I792-D801 WeakPolarHBondContact CG2-OD2 3.39Å; I792-D801 PolarHBondContact O-N 3.46Å
793	D	92.7	Very high	93.9	Very high	30 Å²	30	67.5 Å²	67.5	16%	0.16	37%	0.372	C	S	.	.			trans	-145.6	93.9	-176.5	178.6	-10.6	0	0	0	105.8	H796 N797 G798 D801	D793-H796 PolarHBondContact O-CE1 2.92Å; D793-H796 PolarHBondContact O-N 3.37Å; D793-H796 PolarHBondContact O-ND1 3.24Å; D793-H796 WeakPolarHBondContact OD1-CA 3.4Å; D793-H796 PolarHBondContact OD1-N 2.04Å; D793-N797 PolarHBondContact OD1-N 2.87Å; D793-N797 VanDerWaalsContact OD1-N 3.12Å; D793-G798 WeakPolarHBondContact OD2-CA 3.3Å; D793-G798 PolarHBondContact OD2-N 2.94Å; D793-D801 WeakPolarHBondContact CA-OD1 3.46Å
794	T	91.6	Very high	93.8	Very high	40 Å²	40	68 Å²	68	25%	0.245	38%	0.376	C	S	.	.	S	Bend	trans	-70.4	-44.1	-166.3	-75.6	0	0	0	0	112.1	H796 D801 I807 D808	T794-H796 PolarHBondContact O-ND1 2.67Å; T794-D801 PolarHBondContact N-OD1 3.02Å; T794-D801 PolarHBondContact OG1-OD1 3.49Å; T794-D801 PolarHBondContact OG1-OD2 3Å; T794-I807 VanDerWaalsContact CB-O 3.29Å; T794-I807 WeakPolarHBondContact CB-O 3.33Å; T794-D808 HydrophobicContact CG2-CB 4.11Å
795	D	91.3	Very high	93.8	Very high	60 Å²	60	70.8 Å²	70.8	32%	0.321	39%	0.392	S	S	.	.	S	Bend	trans	-82.7	-10.4	175.2	86.2	-20.4	0	0	0	114.5	N797 I807 D808	D795-N797 WeakPolarHBondContact OD1-CB 3.46Å; D795-N797 PolarHBondContact OD1-N 3.04Å; D795-N797 PolarHBondContact OD1-ND2 3.07Å; D795-N797 WeakPolarHBondContact OD2-CB 3.14Å; D795-N797 PolarHBondContact OD2-ND2 3.12Å; D795-I807 PolarHBondContact N-O 2.69Å; D795-I807 VanDerWaalsContact N-O 3.08Å; D795-D808 WeakPolarHBondContact CB-O 3.49Å
796	H	91.3	Very high	93.7	Very high	158 Å²	158	65 Å²	65	73%	0.731	37%	0.372	S	S	*	.			trans	66.6	30.8	-178.3	-57.9	44.2	0	0	0	113.9	D793 T794	D793-H796 PolarHBondContact O-CE1 2.92Å; D793-H796 PolarHBondContact O-N 3.37Å; D793-H796 PolarHBondContact O-ND1 3.24Å; D793-H796 WeakPolarHBondContact OD1-CA 3.4Å; D793-H796 PolarHBondContact OD1-N 2.04Å; T794-H796 PolarHBondContact O-ND1 2.67Å
797	N	93.3	Very high	93.7	Very high	94 Å²	94	59.3 Å²	59.3	50%	0.503	35%	0.346	S	S	.	.	S	Bend	trans	-81.1	-19.3	179.2	82.1	57.5	0	0	0	114.6	D793 D795 E799	D793-N797 PolarHBondContact OD1-N 2.87Å; D793-N797 VanDerWaalsContact OD1-N 3.12Å; D795-N797 WeakPolarHBondContact OD1-CB 3.46Å; D795-N797 PolarHBondContact OD1-N 3.04Å; D795-N797 PolarHBondContact OD1-ND2 3.07Å; D795-N797 WeakPolarHBondContact OD2-CB 3.14Å; D795-N797 PolarHBondContact OD2-ND2 3.12Å; N797-E799 WeakPolarHBondContact OD1-CB 3.24Å; N797-E799 PolarHBondContact OD1-N 3.02Å
798	G	93.4	Very high	93.7	Very high	50 Å²	50	54.5 Å²	54.5	52%	0.515	32%	0.324	S	S	.	.	S	Bend	trans	102.3	7.3	-177.4	0	0	0	0	0	115.9	D793	D793-G798 WeakPolarHBondContact OD2-CA 3.3Å; D793-G798 PolarHBondContact OD2-N 2.94Å
799	E	96.3	Very high	93.7	Very high	104 Å²	104	55.1 Å²	55.1	49%	0.486	33%	0.334	S	S	.	.	S	Bend	trans	-118.5	114.9	169.5	-173.8	170.1	165.3	0	0	108.2	N797 A804	N797-E799 WeakPolarHBondContact OD1-CB 3.24Å; N797-E799 PolarHBondContact OD1-N 3.02Å; E799-A804 HydrophobicContact CG-CB 4.38Å
800	G	95.6	Very high	94	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	31%	0.311	C	S	.	.			trans	-74.8	160.1	-166.9	0	0	0	0	0	115.6	N782 C783 I792 A802 C803 A804	N782-G800 PolarHBondContact O-N 2.81Å; C783-G800 VanDerWaalsContact SG-C 3.54Å; C783-G800 VanDerWaalsContact SG-CA 3.51Å; C783-G800 PolarHBondContact SG-N 2.95Å; C783-G800 PolarHBondContact SG-O 3.3Å; I792-G800 CarbonylContact O-C 3.57Å; I792-G800 VanDerWaalsContact O-CA 3.26Å; I792-G800 WeakPolarHBondContact O-CA 3.4Å; G800-A802 PolarHBondContact O-N 2.63Å; G800-C803 PolarHBondContact O-N 2.69Å; G800-C803 PolarHBondContact O-SG 3.13Å; G800-A804 WeakPolarHBondContact O-CB 3.22Å; G800-A804 PolarHBondContact O-N 3.49Å
801	D	95.6	Very high	94.3	Very high	32 Å²	32	56.5 Å²	56.5	17%	0.171	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-25.8	-177.2	-68.1	20.3	0	0	0	114	I792 D793 T794 I807	I792-D801 VanDerWaalsContact CG2-OD2 3.32Å; I792-D801 WeakPolarHBondContact CG2-OD2 3.39Å; I792-D801 PolarHBondContact O-N 3.46Å; D793-D801 WeakPolarHBondContact CA-OD1 3.46Å; T794-D801 PolarHBondContact N-OD1 3.02Å; T794-D801 PolarHBondContact OG1-OD1 3.49Å; T794-D801 PolarHBondContact OG1-OD2 3Å; D801-I807 HydrophobicContact CB-CB 4.48Å; D801-I807 HydrophobicContact CB-CD1 4.27Å; D801-I807 HydrophobicContact CB-CG2 4.33Å
802	A	95.4	Very high	94.5	Very high	53 Å²	53	56.2 Å²	56.2	44%	0.438	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-21.1	-177.7	0	0	0	0	0	114.2	N788 G800	N788-A802 HydrophobicContact CB-CB 3.54Å; G800-A802 PolarHBondContact O-N 2.63Å
803	C	95.3	Very high	94.7	Very high	41 Å²	41	56.4 Å²	56.4	28%	0.277	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-23.7	-178.1	57.8	0	0	0	0	113.6	N782 C783 G800	N782-C803 PolarHBondContact O-SG 3.28Å; C783-C803 WeakPolarHBondContact CA-SG 3.46Å; C783-C803 HydrophobicContact CB-CB 3.7Å; C783-C803 WeakPolarHBondContact CB-SG 3.06Å; C783-C803 WeakPolarHBondContact SG-CB 3.37Å; C783-C803 PolarHBondContact SG-N 3Å; C783-C803 CovalentContact SG-SG 2.04Å; C783-C803 PolarHBondContact SG-SG 3.26Å; G800-C803 PolarHBondContact O-N 2.69Å; G800-C803 PolarHBondContact O-SG 3.13Å
804	A	95.9	Very high	94.7	Very high	14 Å²	14	57.5 Å²	57.5	12%	0.116	33%	0.325	C	S	.	.			trans	-65.2	153.3	171.9	0	0	0	0	0	112.5	E799 G800 I807	E799-A804 HydrophobicContact CG-CB 4.38Å; G800-A804 WeakPolarHBondContact O-CB 3.22Å; G800-A804 PolarHBondContact O-N 3.49Å; A804-I807 HydrophobicContact CB-CG2 3.85Å
805	V	95.7	Very high	94.9	Very high	97 Å²	97	63.4 Å²	63.4	59%	0.588	35%	0.35	S	S	*	.	S	Bend	trans	-108.9	-1.5	-175.9	-62.4	0	0	0	0	113.8	Q813 N814	V805-Q813 VanDerWaalsContact O-CA 3.28Å; V805-Q813 WeakPolarHBondContact O-CA 3.29Å; V805-N814 PolarHBondContact O-N 3.09Å; V805-N814 VanDerWaalsContact O-N 3.15Å; V805-N814 PolarHBondContact O-OD1 2.93Å
806	D	96	Very high	95.1	Very high	39 Å²	39	65.6 Å²	65.6	21%	0.209	36%	0.361	C	S	.	.	S	Bend	trans	-166.5	103	-166.6	168.6	-16.5	0	0	0	100.2	G809 D810 E811 I812 N814	D806-G809 WeakPolarHBondContact OD1-CA 3.45Å; D806-G809 PolarHBondContact OD1-N 3.44Å; D806-G809 VanDerWaalsContact OD1-N 3.1Å; D806-D810 PolarHBondContact OD1-N 2.8Å; D806-E811 VanDerWaalsContact OD2-CA 3.26Å; D806-E811 WeakPolarHBondContact OD2-CA 3.33Å; D806-E811 PolarHBondContact OD2-N 2.89Å; D806-I812 WeakPolarHBondContact CB-O 3.49Å; D806-I812 VanDerWaalsContact CG-O 3.26Å; D806-N814 WeakPolarHBondContact CA-OD1 3.36Å; D806-N814 PolarHBondContact N-OD1 3.06Å; D806-N814 VanDerWaalsContact N-OD1 3.14Å
807	I	95.9	Very high	95.4	Very high	8 Å²	8	58.9 Å²	58.9	4%	0.041	33%	0.331	C	S	.	.	S	Bend	trans	-107.2	-18.1	-164	68.7	-178.9	0	0	0	113.8	T794 D795 D801 A804 N814 P820 Y821	T794-I807 VanDerWaalsContact CB-O 3.29Å; T794-I807 WeakPolarHBondContact CB-O 3.33Å; D795-I807 PolarHBondContact N-O 2.69Å; D795-I807 VanDerWaalsContact N-O 3.08Å; D801-I807 HydrophobicContact CB-CB 4.48Å; D801-I807 HydrophobicContact CB-CD1 4.27Å; D801-I807 HydrophobicContact CB-CG2 4.33Å; A804-I807 HydrophobicContact CB-CG2 3.85Å; I807-N814 WeakPolarHBondContact CG2-ND2 3.35Å; I807-N814 PolarHBondContact N-OD1 3.13Å; I807-P820 WeakPolarHBondContact CD1-O 3.24Å; I807-P820 WeakPolarHBondContact CG1-O 3.14Å; I807-Y821 HydrophobicContact CD1-CD1 3.68Å; I807-Y821 HydrophobicContact CD1-CE1 3.51Å; I807-Y821 HydrophobicContact CD1-CG 4.42Å
808	D	94.2	Very high	95.5	Very high	11 Å²	11	55.4 Å²	55.4	6%	0.059	31%	0.312	C	S	.	.	S	Bend	trans	-102.6	-6.3	173.4	69.4	-19.3	0	0	0	113	T794 D795 V822 Y823	T794-D808 HydrophobicContact CG2-CB 4.11Å; D795-D808 WeakPolarHBondContact CB-O 3.49Å; D808-V822 PolarHBondContact OD2-N 3.08Å; D808-Y823 WeakPolarHBondContact OD2-CA 3.24Å; D808-Y823 PolarHBondContact OD2-N 2.89Å
809	G	95.5	Very high	95.6	Very high	29 Å²	29	53.1 Å²	53.1	30%	0.299	29%	0.288	S	S	.	.			trans	86.8	22	164.5	0	0	0	0	0	115	D806	D806-G809 WeakPolarHBondContact OD1-CA 3.45Å; D806-G809 PolarHBondContact OD1-N 3.44Å; D806-G809 VanDerWaalsContact OD1-N 3.1Å
810	D	95.8	Very high	95.6	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	28%	0.276	C	S	.	.	S	Bend	trans	-89	1.1	-169.2	111.3	-38.1	0	0	0	115.3	D806 I812 Y823 N824 T825	D806-D810 PolarHBondContact OD1-N 2.8Å; D810-I812 WeakPolarHBondContact OD1-CA 3.47Å; D810-I812 WeakPolarHBondContact OD1-CB 3.47Å; D810-I812 WeakPolarHBondContact OD1-CG1 3.07Å; D810-I812 PolarHBondContact OD1-N 3.41Å; D810-Y823 HydrophobicContact CB-CD2 3.49Å; D810-Y823 VanDerWaalsContact CB-CD2 3.49Å; D810-Y823 HydrophobicContact CB-CE2 3.79Å; D810-Y823 HydrophobicContact CB-CG 3.9Å; D810-N824 PolarHBondContact OD2-N 3.08Å; D810-T825 HydrophobicContact CB-CG2 3.84Å; D810-T825 WeakPolarHBondContact O-CG2 3.22Å; D810-T825 WeakPolarHBondContact OD2-CA 3.36Å; D810-T825 PolarHBondContact OD2-N 3.4Å
811	E	95.8	Very high	95.5	Very high	181 Å²	181	57.3 Å²	57.3	85%	0.846	31%	0.306	S	S	*	.	S	Bend	trans	76.5	6.5	-170.1	-51.3	-169.7	176.3	0	0	115.2	D806	D806-E811 VanDerWaalsContact OD2-CA 3.26Å; D806-E811 WeakPolarHBondContact OD2-CA 3.33Å; D806-E811 PolarHBondContact OD2-N 2.89Å
812	I	96.3	Very high	95.4	Very high	39 Å²	39	58.7 Å²	58.7	20%	0.2	32%	0.315	C	S	.	.	S	Bend	trans	-110	144.7	176.4	-49	177	0	0	0	110.1	D806 D810 D817 Q827	D806-I812 WeakPolarHBondContact CB-O 3.49Å; D806-I812 VanDerWaalsContact CG-O 3.26Å; D810-I812 WeakPolarHBondContact OD1-CA 3.47Å; D810-I812 WeakPolarHBondContact OD1-CB 3.47Å; D810-I812 WeakPolarHBondContact OD1-CG1 3.07Å; D810-I812 PolarHBondContact OD1-N 3.41Å; I812-D817 HydrophobicContact CG2-CB 3.99Å; I812-Q827 HydrophobicContact CD1-CG 3.31Å
813	Q	96.2	Very high	95.4	Very high	100 Å²	100	63.1 Å²	63.1	47%	0.467	32%	0.321	S	S	.	.			trans	-90.9	138	-173.2	-64	-177.8	-26.7	0	0	111.1	V805 E815 N816 D817	V805-Q813 VanDerWaalsContact O-CA 3.28Å; V805-Q813 WeakPolarHBondContact O-CA 3.29Å; Q813-E815 PolarHBondContact O-N 3.36Å; Q813-N816 PolarHBondContact O-N 2.8Å; Q813-D817 PolarHBondContact O-N 2.97Å; Q813-D817 VanDerWaalsContact O-N 3.16Å
814	N	92.7	Very high	95.4	Very high	53 Å²	53	61.4 Å²	61.4	28%	0.283	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.4	-26.8	-177.4	-48.8	-15.9	0	0	0	115.7	V805 D806 I807	V805-N814 PolarHBondContact O-N 3.09Å; V805-N814 VanDerWaalsContact O-N 3.15Å; V805-N814 PolarHBondContact O-OD1 2.93Å; D806-N814 WeakPolarHBondContact CA-OD1 3.36Å; D806-N814 PolarHBondContact N-OD1 3.06Å; D806-N814 VanDerWaalsContact N-OD1 3.14Å; I807-N814 WeakPolarHBondContact CG2-ND2 3.35Å; I807-N814 PolarHBondContact N-OD1 3.13Å
815	E	95	Very high	95.4	Very high	165 Å²	165	64.6 Å²	64.6	77%	0.771	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-5.9	179	59.9	153.6	-134.5	0	0	115.1	Q813	Q813-E815 PolarHBondContact O-N 3.36Å
816	N	95.9	Very high	95.4	Very high	105 Å²	105	64.9 Å²	64.9	56%	0.561	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122.9	-7	178.3	-61.9	-84.5	0	0	0	113.1	Q813	Q813-N816 PolarHBondContact O-N 2.8Å
817	D	96.9	Very high	95.4	Very high	17 Å²	17	65.5 Å²	65.5	9%	0.091	33%	0.327	C	S	.	.			trans	-88.8	143	-177.1	179.1	12.4	0	0	0	111.8	I812 Q813 C819 P820 N824 Q827	I812-D817 HydrophobicContact CG2-CB 3.99Å; Q813-D817 PolarHBondContact O-N 2.97Å; Q813-D817 VanDerWaalsContact O-N 3.16Å; D817-C819 PolarHBondContact OD1-N 2.56Å; D817-P820 HydrophobicContact CB-CG 4.35Å; D817-P820 WeakPolarHBondContact OD2-CA 3.43Å; D817-P820 VanDerWaalsContact OD2-N 3.14Å; D817-N824 PolarHBondContact OD1-OD1 2.78Å; D817-Q827 PolarHBondContact OD1-NE2 2.9Å
818	N	96.1	Very high	95.5	Very high	21 Å²	21	69.5 Å²	69.5	11%	0.112	34%	0.344	C	S	.	.	S	Bend	trans	-97.4	-6.5	174.3	70.7	-1.7	0	0	0	115.1	N824 Q827 G834 V835 G836 C839	N818-N824 PolarHBondContact OD1-ND2 2.95Å; N818-Q827 VanDerWaalsContact N-OE1 3.09Å; N818-Q827 PolarHBondContact OD1-NE2 3.18Å; N818-Q827 PolarHBondContact OD1-OE1 3.46Å; N818-G834 WeakPolarHBondContact CB-O 3.02Å; N818-V835 WeakPolarHBondContact O-CA 3.33Å; N818-G836 VanDerWaalsContact CG-CA 3.43Å; N818-G836 VanDerWaalsContact ND2-CA 3.33Å; N818-G836 WeakPolarHBondContact ND2-CA 3.47Å; N818-G836 PolarHBondContact O-N 2.95Å; N818-C839 PolarHBondContact O-SG 3.37Å; N818-C839 VanDerWaalsContact O-SG 3.4Å
819	C	96.1	Very high	95.6	Very high	2 Å²	2	71.3 Å²	71.3	1%	0.014	35%	0.354	C	S	.	.			trans	-134.2	65.4	166.8	-71.7	0	0	0	0	114.2	D817 Y821 V822 N824 G836 C839	D817-C819 PolarHBondContact OD1-N 2.56Å; C819-Y821 PolarHBondContact O-N 2.89Å; C819-V822 HydrophobicContact CB-CB 4.25Å; C819-V822 PolarHBondContact O-N 2.93Å; C819-N824 WeakPolarHBondContact CB-ND2 3.46Å; C819-N824 PolarHBondContact SG-ND2 2.84Å; C819-G836 VanDerWaalsContact SG-C 3.55Å; C819-G836 WeakPolarHBondContact SG-CA 2.99Å; C819-G836 PolarHBondContact SG-N 2.87Å; C819-G836 PolarHBondContact SG-O 3.2Å; C819-C839 WeakPolarHBondContact CA-SG 3.15Å; C819-C839 HydrophobicContact CB-CB 3.76Å; C819-C839 WeakPolarHBondContact CB-SG 3.45Å; C819-C839 WeakPolarHBondContact SG-CB 3.32Å; C819-C839 PolarHBondContact SG-N 2.8Å; C819-C839 VanDerWaalsContact SG-N 3.37Å; C819-C839 CovalentContact SG-SG 2.03Å; C819-C839 PolarHBondContact SG-SG 3.47Å
820	P	95.9	Very high	95.7	Very high	37 Å²	37	72.8 Å²	72.8	24%	0.24	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	2.2	-174.7	-28.7	37.1	0	0	0	119.9	I807 D817	I807-P820 WeakPolarHBondContact CD1-O 3.24Å; I807-P820 WeakPolarHBondContact CG1-O 3.14Å; D817-P820 HydrophobicContact CB-CG 4.35Å; D817-P820 WeakPolarHBondContact OD2-CA 3.43Å; D817-P820 VanDerWaalsContact OD2-N 3.14Å
821	Y	93.5	Very high	95.7	Very high	156 Å²	156	74.5 Å²	74.5	61%	0.612	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-134.6	8.6	176.6	-55.9	-91.4	0	0	0	112.5	I807 C819	I807-Y821 HydrophobicContact CD1-CD1 3.68Å; I807-Y821 HydrophobicContact CD1-CE1 3.51Å; I807-Y821 HydrophobicContact CD1-CG 4.42Å; C819-Y821 PolarHBondContact O-N 2.89Å
822	V	93.7	Very high	95.7	Very high	61 Å²	61	73 Å²	73	37%	0.37	36%	0.362	S	S	.	.	S	Bend	trans	-146.9	90.9	-170.5	-170.7	0	0	0	0	111.6	D808 C819 N824 Q838 C839	D808-V822 PolarHBondContact OD2-N 3.08Å; C819-V822 HydrophobicContact CB-CB 4.25Å; C819-V822 PolarHBondContact O-N 2.93Å; V822-N824 WeakPolarHBondContact O-CB 3.42Å; V822-N824 PolarHBondContact O-N 2.89Å; V822-N824 VanDerWaalsContact O-N 3.12Å; V822-Q838 HydrophobicContact CG1-CB 4.02Å; V822-C839 HydrophobicContact CB-CB 4.11Å; V822-C839 HydrophobicContact CG2-CB 3.88Å
823	Y	95	Very high	95.7	Very high	146 Å²	146	72.1 Å²	72.1	57%	0.573	36%	0.357	S	S	*	.			trans	-32.4	106.4	-177.7	-175.5	-80.1	0	0	0	114.1	D808 D810 T825	D808-Y823 WeakPolarHBondContact OD2-CA 3.24Å; D808-Y823 PolarHBondContact OD2-N 2.89Å; D810-Y823 HydrophobicContact CB-CD2 3.49Å; D810-Y823 VanDerWaalsContact CB-CD2 3.49Å; D810-Y823 HydrophobicContact CB-CE2 3.79Å; D810-Y823 HydrophobicContact CB-CG 3.9Å; Y823-T825 HydrophobicContact CD1-CG2 4.34Å; Y823-T825 HydrophobicContact CE1-CG2 3.62Å; Y823-T825 HydrophobicContact CE2-CG2 4.3Å
824	N	95.5	Very high	95.7	Very high	5 Å²	5	69.6 Å²	69.6	3%	0.027	36%	0.358	C	S	.	.			trans	-144.5	59.2	-173.4	75.5	-26.9	0	0	0	114.7	D810 D817 N818 C819 V822 D826 Q827 Q838	D810-N824 PolarHBondContact OD2-N 3.08Å; D817-N824 PolarHBondContact OD1-OD1 2.78Å; N818-N824 PolarHBondContact OD1-ND2 2.95Å; C819-N824 WeakPolarHBondContact CB-ND2 3.46Å; C819-N824 PolarHBondContact SG-ND2 2.84Å; V822-N824 WeakPolarHBondContact O-CB 3.42Å; V822-N824 PolarHBondContact O-N 2.89Å; V822-N824 VanDerWaalsContact O-N 3.12Å; N824-D826 PolarHBondContact O-N 3.42Å; N824-Q827 PolarHBondContact O-N 2.99Å; N824-Q827 PolarHBondContact OD1-NE2 2.95Å; N824-Q838 HydrophobicContact CB-CB 4.03Å; N824-Q838 HydrophobicContact CB-CG 3.58Å
825	T	95.8	Very high	95.9	Very high	80 Å²	80	68.1 Å²	68.1	49%	0.491	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-11.6	-174.8	65.9	0	0	0	0	118.3	D810 Y823	D810-T825 HydrophobicContact CB-CG2 3.84Å; D810-T825 WeakPolarHBondContact O-CG2 3.22Å; D810-T825 WeakPolarHBondContact OD2-CA 3.36Å; D810-T825 PolarHBondContact OD2-N 3.4Å; Y823-T825 HydrophobicContact CD1-CG2 4.34Å; Y823-T825 HydrophobicContact CE1-CG2 3.62Å; Y823-T825 HydrophobicContact CE2-CG2 4.3Å
826	D	95.9	Very high	96	Very high	103 Å²	103	60.2 Å²	60.2	55%	0.551	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-11.3	174.4	82.6	-19.3	0	0	0	114.1	N824 K828	N824-D826 PolarHBondContact O-N 3.42Å; D826-K828 PolarHBondContact O-N 3.08Å; D826-K828 WeakPolarHBondContact OD1-CB 3.48Å; D826-K828 PolarHBondContact OD1-N 3.24Å
827	Q	96.3	Very high	95.9	Very high	52 Å²	52	56.9 Å²	56.9	24%	0.243	30%	0.296	C	S	.	.			trans	46.6	41.3	-178.6	-67	-78.2	-63.8	0	0	112.1	I812 D817 N818 N824 D829	I812-Q827 HydrophobicContact CD1-CG 3.31Å; D817-Q827 PolarHBondContact OD1-NE2 2.9Å; N818-Q827 VanDerWaalsContact N-OE1 3.09Å; N818-Q827 PolarHBondContact OD1-NE2 3.18Å; N818-Q827 PolarHBondContact OD1-OE1 3.46Å; N824-Q827 PolarHBondContact O-N 2.99Å; N824-Q827 PolarHBondContact OD1-NE2 2.95Å; Q827-D829 PolarHBondContact O-N 3.36Å
828	K	97.6	Very high	95.9	Very high	92 Å²	92	61.5 Å²	61.5	40%	0.4	32%	0.317	S	S	.	.			trans	-69.2	122.7	-179.7	-169.4	175.2	177.1	-67.2	0	109.6	D826 T830 G836 D837	D826-K828 PolarHBondContact O-N 3.08Å; D826-K828 WeakPolarHBondContact OD1-CB 3.48Å; D826-K828 PolarHBondContact OD1-N 3.24Å; K828-T830 PolarHBondContact NZ-OG1 2.73Å; K828-G836 CarbonylContact O-C 3.57Å; K828-G836 WeakPolarHBondContact O-CA 3.27Å; K828-D837 HydrophobicContact CB-CB 4.3Å; K828-D837 HydrophobicContact CG-CB 4.34Å; K828-D837 IonicContact NZ-OD1 2.66Å; K828-D837 IonicContact NZ-OD2 3.75Å; K828-D837 PolarHBondContact NZ-OD2 2.82Å; K828-D837 WeakPolarHBondContact O-CB 3.26Å; K828-D837 PolarHBondContact O-N 2.74Å
829	D	96.7	Very high	95.8	Very high	50 Å²	50	62.6 Å²	62.6	27%	0.267	33%	0.326	S	S	.	.			trans	-132.3	110.6	174	161.4	6.2	0	0	0	105.4	Q827 M832	Q827-D829 PolarHBondContact O-N 3.36Å; D829-M832 WeakPolarHBondContact OD1-CA 3.36Å; D829-M832 PolarHBondContact OD1-N 3.2Å; D829-M832 WeakPolarHBondContact OD2-CA 3.49Å
830	T	97.2	Very high	95.8	Very high	60 Å²	60	63.2 Å²	63.2	37%	0.368	33%	0.329	S	S	.	.	S	Bend	trans	-87.6	-29.4	-166.9	-67.5	0	0	0	0	113.7	K828 D837 L844	K828-T830 PolarHBondContact NZ-OG1 2.73Å; T830-D837 VanDerWaalsContact CB-OD1 3.26Å; T830-D837 WeakPolarHBondContact CB-OD1 3.48Å; T830-D837 PolarHBondContact N-OD1 2.65Å; T830-D837 PolarHBondContact OG1-OD1 2.95Å; T830-D837 PolarHBondContact OG1-OD2 2.74Å; T830-L844 HydrophobicContact CG2-CD2 4.12Å
831	D	95.8	Very high	95.8	Very high	40 Å²	40	63 Å²	63	21%	0.214	33%	0.326	C	S	.	.	S	Bend	trans	-116.9	-7.6	-175.9	70.5	40	0	0	0	115.5	D833 L844 L845 H846	D831-D833 WeakPolarHBondContact OD1-CB 3.42Å; D831-D833 PolarHBondContact OD1-N 3.09Å; D831-L844 PolarHBondContact OD2-N 2.87Å; D831-L845 PolarHBondContact OD2-N 3.42Å; D831-H846 VanDerWaalsContact CG-N 3.29Å; D831-H846 WeakPolarHBondContact OD1-CA 3.29Å; D831-H846 PolarHBondContact OD1-N 2.8Å; D831-H846 PolarHBondContact OD2-N 2.77Å
832	M	96.5	Very high	95.9	Very high	150 Å²	150	55.8 Å²	55.8	74%	0.739	30%	0.298	S	S	*	.	S	Bend	trans	77	41.4	171	-50.6	178.6	-175	0	0	115.1	D829	D829-M832 WeakPolarHBondContact OD1-CA 3.36Å; D829-M832 PolarHBondContact OD1-N 3.2Å; D829-M832 WeakPolarHBondContact OD2-CA 3.49Å
833	D	96.4	Very high	96	Very high	19 Å²	19	55 Å²	55	10%	0.102	29%	0.294	C	S	.	.	S	Bend	trans	-87.7	-28.6	175.6	104.2	-29.3	0	0	0	113.9	D831 V835 H846 N847 P848	D831-D833 WeakPolarHBondContact OD1-CB 3.42Å; D831-D833 PolarHBondContact OD1-N 3.09Å; D833-V835 WeakPolarHBondContact OD1-CB 3.25Å; D833-V835 PolarHBondContact OD1-N 3Å; D833-H846 HydrophobicContact CB-CB 3.8Å; D833-H846 VanDerWaalsContact CB-CD2 3.43Å; D833-H846 WeakPolarHBondContact CB-CD2 3.31Å; D833-H846 VanDerWaalsContact CB-CG 3.44Å; D833-N847 WeakPolarHBondContact OD2-CA 3.03Å; D833-N847 PolarHBondContact OD2-N 2.79Å; D833-P848 HydrophobicContact CB-CG 3.74Å; D833-P848 WeakPolarHBondContact O-CG 3.39Å; D833-P848 VanDerWaalsContact OD2-CA 3.24Å; D833-P848 WeakPolarHBondContact OD2-CA 3.43Å; D833-P848 VanDerWaalsContact OD2-CD 3.3Å; D833-P848 WeakPolarHBondContact OD2-CD 3.47Å
834	G	94.8	Very high	96	Very high	47 Å²	47	54.4 Å²	54.4	49%	0.485	30%	0.3	S	S	.	.	S	Bend	trans	113.7	-1.1	-179.8	0	0	0	0	0	115.8	N818	N818-G834 WeakPolarHBondContact CB-O 3.02Å
835	V	97	Very high	95.9	Very high	22 Å²	22	58.9 Å²	58.9	13%	0.133	32%	0.323	C	S	.	.	S	Bend	trans	-102.4	148.9	170.1	-170.9	0	0	0	0	108.7	N818 D833 C839 D840 Q850	N818-V835 WeakPolarHBondContact O-CA 3.33Å; D833-V835 WeakPolarHBondContact OD1-CB 3.25Å; D833-V835 PolarHBondContact OD1-N 3Å; V835-C839 WeakPolarHBondContact CG1-SG 3.1Å; V835-D840 HydrophobicContact CB-CB 4.26Å; V835-D840 HydrophobicContact CG1-CB 3.86Å; V835-Q850 HydrophobicContact CG1-CG 4.32Å; V835-Q850 HydrophobicContact CG2-CG 3.87Å
836	G	96.6	Very high	95.9	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.324	C	S	.	.			trans	-88.1	149.3	179.6	0	0	0	0	0	113.6	N818 C819 K828 Q838 C839 D840	N818-G836 VanDerWaalsContact CG-CA 3.43Å; N818-G836 VanDerWaalsContact ND2-CA 3.33Å; N818-G836 WeakPolarHBondContact ND2-CA 3.47Å; N818-G836 PolarHBondContact O-N 2.95Å; C819-G836 VanDerWaalsContact SG-C 3.55Å; C819-G836 WeakPolarHBondContact SG-CA 2.99Å; C819-G836 PolarHBondContact SG-N 2.87Å; C819-G836 PolarHBondContact SG-O 3.2Å; K828-G836 CarbonylContact O-C 3.57Å; K828-G836 WeakPolarHBondContact O-CA 3.27Å; G836-Q838 PolarHBondContact O-N 3.31Å; G836-C839 PolarHBondContact O-N 2.04Å; G836-C839 PolarHBondContact O-SG 3.12Å; G836-D840 WeakPolarHBondContact O-CB 3.14Å; G836-D840 PolarHBondContact O-N 2.03Å
837	D	95.5	Very high	95.9	Very high	34 Å²	34	55.8 Å²	55.8	18%	0.182	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-22.6	178.6	-91	61.7	0	0	0	115.6	K828 T830	K828-D837 HydrophobicContact CB-CB 4.3Å; K828-D837 HydrophobicContact CG-CB 4.34Å; K828-D837 IonicContact NZ-OD1 2.66Å; K828-D837 IonicContact NZ-OD2 3.75Å; K828-D837 PolarHBondContact NZ-OD2 2.82Å; K828-D837 WeakPolarHBondContact O-CB 3.26Å; K828-D837 PolarHBondContact O-N 2.74Å; T830-D837 VanDerWaalsContact CB-OD1 3.26Å; T830-D837 WeakPolarHBondContact CB-OD1 3.48Å; T830-D837 PolarHBondContact N-OD1 2.65Å; T830-D837 PolarHBondContact OG1-OD1 2.95Å; T830-D837 PolarHBondContact OG1-OD2 2.74Å
838	Q	95	Very high	95.9	Very high	115 Å²	115	56.4 Å²	56.4	54%	0.537	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-17.7	-178.4	-56.6	-60.6	-26.4	0	0	113.5	V822 N824 G836	V822-Q838 HydrophobicContact CG1-CB 4.02Å; N824-Q838 HydrophobicContact CB-CB 4.03Å; N824-Q838 HydrophobicContact CB-CG 3.58Å; G836-Q838 PolarHBondContact O-N 3.31Å
839	C	94.8	Very high	95.8	Very high	44 Å²	44	59 Å²	59	30%	0.297	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.6	-8.4	-178	66	0	0	0	0	113.7	N818 C819 V822 V835 G836	N818-C839 PolarHBondContact O-SG 3.37Å; N818-C839 VanDerWaalsContact O-SG 3.4Å; C819-C839 WeakPolarHBondContact CA-SG 3.15Å; C819-C839 HydrophobicContact CB-CB 3.76Å; C819-C839 WeakPolarHBondContact CB-SG 3.45Å; C819-C839 WeakPolarHBondContact SG-CB 3.32Å; C819-C839 PolarHBondContact SG-N 2.8Å; C819-C839 VanDerWaalsContact SG-N 3.37Å; C819-C839 CovalentContact SG-SG 2.03Å; C819-C839 PolarHBondContact SG-SG 3.47Å; V822-C839 HydrophobicContact CB-CB 4.11Å; V822-C839 HydrophobicContact CG2-CB 3.88Å; V835-C839 WeakPolarHBondContact CG1-SG 3.1Å; G836-C839 PolarHBondContact O-N 2.04Å; G836-C839 PolarHBondContact O-SG 3.12Å
840	D	96.4	Very high	95.8	Very high	14 Å²	14	58.9 Å²	58.9	8%	0.075	33%	0.325	C	S	.	.			trans	-72	125.6	172.6	-179.2	8.2	0	0	0	110.9	V835 G836 C842 P843 N847 Q850	V835-D840 HydrophobicContact CB-CB 4.26Å; V835-D840 HydrophobicContact CG1-CB 3.86Å; G836-D840 WeakPolarHBondContact O-CB 3.14Å; G836-D840 PolarHBondContact O-N 2.03Å; D840-C842 VanDerWaalsContact CG-C 3.5Å; D840-C842 PolarHBondContact O-N 2.72Å; D840-C842 PolarHBondContact OD1-N 2.81Å; D840-P843 HydrophobicContact CB-CG 4.25Å; D840-P843 WeakPolarHBondContact O-CD 3.33Å; D840-P843 VanDerWaalsContact O-CG 3.31Å; D840-P843 WeakPolarHBondContact O-CG 3.5Å; D840-P843 WeakPolarHBondContact OD2-CA 3.1Å; D840-N847 PolarHBondContact OD1-ND2 3.38Å; D840-Q850 PolarHBondContact OD1-NE2 3.29Å; D840-Q850 PolarHBondContact OD1-OE1 3.19Å
841	N	95.7	Very high	95.7	Very high	34 Å²	34	59.2 Å²	59.2	18%	0.182	33%	0.327	C	S	.	.	S	Bend	trans	-79.8	0.7	175.1	63.1	18.4	0	0	0	114.5	N847 Q850 G859 C862	N841-N847 PolarHBondContact OD1-ND2 2.86Å; N841-Q850 PolarHBondContact ND2-O 3.42Å; N841-Q850 PolarHBondContact OD1-OE1 3.12Å; N841-G859 VanDerWaalsContact CG-CA 3.5Å; N841-G859 PolarHBondContact O-N 3.2Å; N841-G859 VanDerWaalsContact OD1-CA 3.26Å; N841-G859 WeakPolarHBondContact OD1-CA 3.31Å; N841-C862 PolarHBondContact O-SG 3.02Å
842	C	95.7	Very high	95.7	Very high	3 Å²	3	59 Å²	59	2%	0.02	33%	0.326	C	S	.	.	S	Bend	trans	-145.8	69	166.6	-63.2	0	0	0	0	113.9	D840 L844 L845 N847 G859 C862	D840-C842 VanDerWaalsContact CG-C 3.5Å; D840-C842 PolarHBondContact O-N 2.72Å; D840-C842 PolarHBondContact OD1-N 2.81Å; C842-L844 PolarHBondContact O-N 3.42Å; C842-L845 HydrophobicContact CB-CB 4.37Å; C842-L845 PolarHBondContact O-N 3.48Å; C842-N847 WeakPolarHBondContact CB-OD1 3.18Å; C842-N847 PolarHBondContact O-OD1 2.78Å; C842-G859 VanDerWaalsContact SG-C 3.54Å; C842-G859 WeakPolarHBondContact SG-CA 3.39Å; C842-G859 PolarHBondContact SG-N 2.98Å; C842-G859 VanDerWaalsContact SG-N 3.42Å; C842-G859 PolarHBondContact SG-O 2.65Å; C842-C862 WeakPolarHBondContact CA-SG 3.4Å; C842-C862 HydrophobicContact CB-CB 3.61Å; C842-C862 WeakPolarHBondContact CB-SG 3.12Å; C842-C862 WeakPolarHBondContact SG-CB 3.24Å; C842-C862 PolarHBondContact SG-N 3.45Å; C842-C862 CovalentContact SG-SG 2.03Å; C842-C862 PolarHBondContact SG-SG 3.05Å
843	P	95.3	Very high	95.6	Very high	45 Å²	45	56 Å²	56	29%	0.292	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	13.9	-172.6	-26.7	36.6	0	0	0	119.7	D840	D840-P843 HydrophobicContact CB-CG 4.25Å; D840-P843 WeakPolarHBondContact O-CD 3.33Å; D840-P843 VanDerWaalsContact O-CG 3.31Å; D840-P843 WeakPolarHBondContact O-CG 3.5Å; D840-P843 WeakPolarHBondContact OD2-CA 3.1Å
844	L	94.8	Very high	95.4	Very high	134 Å²	134	56.2 Å²	56.2	70%	0.702	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-141.3	-2.5	-176.5	-57.8	173.1	0	0	0	113.3	T830 D831 C842	T830-L844 HydrophobicContact CG2-CD2 4.12Å; D831-L844 PolarHBondContact OD2-N 2.87Å; C842-L844 PolarHBondContact O-N 3.42Å
845	L	94.8	Very high	95.5	Very high	98 Å²	98	55.4 Å²	55.4	51%	0.513	30%	0.301	S	S	.	.	S	Bend	trans	-140.6	29.6	-166.3	-74.4	-179.9	0	0	0	118.5	D831 C842 C862	D831-L845 PolarHBondContact OD2-N 3.42Å; C842-L845 HydrophobicContact CB-CB 4.37Å; C842-L845 PolarHBondContact O-N 3.48Å; L845-C862 HydrophobicContact CB-CB 4.48Å; L845-C862 HydrophobicContact CD1-CB 3.8Å
846	H	95.5	Very high	95.4	Very high	107 Å²	107	55.8 Å²	55.8	50%	0.495	30%	0.303	S	S	.	.			trans	37.7	97.2	164.8	178.3	-54.2	0	0	0	116	D831 D833	D831-H846 VanDerWaalsContact CG-N 3.29Å; D831-H846 WeakPolarHBondContact OD1-CA 3.29Å; D831-H846 PolarHBondContact OD1-N 2.8Å; D831-H846 PolarHBondContact OD2-N 2.77Å; D833-H846 HydrophobicContact CB-CB 3.8Å; D833-H846 VanDerWaalsContact CB-CD2 3.43Å; D833-H846 WeakPolarHBondContact CB-CD2 3.31Å; D833-H846 VanDerWaalsContact CB-CG 3.44Å
847	N	96.1	Very high	95.3	Very high	11 Å²	11	59.6 Å²	59.6	6%	0.059	32%	0.323	C	S	.	.			trans	-149	62.4	-166.7	44	-67.1	0	0	0	111.8	D833 D840 N841 C842 D849 Q850 Q861	D833-N847 WeakPolarHBondContact OD2-CA 3.03Å; D833-N847 PolarHBondContact OD2-N 2.79Å; D840-N847 PolarHBondContact OD1-ND2 3.38Å; N841-N847 PolarHBondContact OD1-ND2 2.86Å; C842-N847 WeakPolarHBondContact CB-OD1 3.18Å; C842-N847 PolarHBondContact O-OD1 2.78Å; N847-D849 PolarHBondContact O-N 3.31Å; N847-Q850 PolarHBondContact ND2-NE2 2.74Å; N847-Q850 WeakPolarHBondContact O-CA 3.43Å; N847-Q850 PolarHBondContact O-N 2.71Å; N847-Q850 PolarHBondContact O-NE2 2.92Å; N847-Q861 HydrophobicContact CB-CB 4.18Å; N847-Q861 HydrophobicContact CB-CG 3.7Å
848	P	95.3	Very high	95.4	Very high	65 Å²	65	59.1 Å²	59.1	42%	0.422	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-11.8	-166.9	-21.5	31.3	0	0	0	115.6	D833 Q850	D833-P848 HydrophobicContact CB-CG 3.74Å; D833-P848 WeakPolarHBondContact O-CG 3.39Å; D833-P848 VanDerWaalsContact OD2-CA 3.24Å; D833-P848 WeakPolarHBondContact OD2-CA 3.43Å; D833-P848 VanDerWaalsContact OD2-CD 3.3Å; D833-P848 WeakPolarHBondContact OD2-CD 3.47Å; P848-Q850 VanDerWaalsContact C-N 3.3Å
849	D	95.9	Very high	95.4	Very high	148 Å²	148	53.6 Å²	53.6	79%	0.791	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-8.7	173.3	-63.3	-54.2	0	0	0	112	N847 T851	N847-D849 PolarHBondContact O-N 3.31Å; D849-T851 HydrophobicContact CB-CG2 4.06Å; D849-T851 PolarHBondContact O-N 2.76Å
850	Q	96.1	Very high	95.4	Very high	47 Å²	47	54.2 Å²	54.2	22%	0.22	30%	0.296	C	S	.	.			trans	48	31.5	177.3	-67.8	-70.6	-42.9	0	0	114.5	V835 D840 N841 N847 P848 D852	V835-Q850 HydrophobicContact CG1-CG 4.32Å; V835-Q850 HydrophobicContact CG2-CG 3.87Å; D840-Q850 PolarHBondContact OD1-NE2 3.29Å; D840-Q850 PolarHBondContact OD1-OE1 3.19Å; N841-Q850 PolarHBondContact ND2-O 3.42Å; N841-Q850 PolarHBondContact OD1-OE1 3.12Å; N847-Q850 PolarHBondContact ND2-NE2 2.74Å; N847-Q850 WeakPolarHBondContact O-CA 3.43Å; N847-Q850 PolarHBondContact O-N 2.71Å; N847-Q850 PolarHBondContact O-NE2 2.92Å; P848-Q850 VanDerWaalsContact C-N 3.3Å; Q850-D852 PolarHBondContact O-N 2.74Å
851	T	95.8	Very high	95.4	Very high	66 Å²	66	59.3 Å²	59.3	41%	0.405	32%	0.319	S	S	.	.			trans	-73.4	125.2	-172.3	54.8	0	0	0	0	112.2	D849 D860	D849-T851 HydrophobicContact CB-CG2 4.06Å; D849-T851 PolarHBondContact O-N 2.76Å; T851-D860 WeakPolarHBondContact CB-OD2 3Å; T851-D860 WeakPolarHBondContact O-CB 3.37Å; T851-D860 PolarHBondContact O-N 3.3Å; T851-D860 PolarHBondContact OG1-OD2 3.16Å
852	D	95.3	Very high	95.3	Very high	35 Å²	35	58.5 Å²	58.5	19%	0.187	32%	0.316	C	S	.	.			trans	-121	102	172	169.3	1.4	0	0	0	106.8	Q850 N855 D856 L857	Q850-D852 PolarHBondContact O-N 2.74Å; D852-N855 PolarHBondContact O-ND2 2.85Å; D852-N855 WeakPolarHBondContact OD1-CA 3.14Å; D852-N855 PolarHBondContact OD1-N 2.99Å; D852-N855 VanDerWaalsContact OD2-CA 3.28Å; D852-N855 WeakPolarHBondContact OD2-CA 3.09Å; D852-D856 PolarHBondContact OD1-N 2.77Å; D852-D856 PolarHBondContact OD2-N 3.38Å; D852-L857 WeakPolarHBondContact OD2-CA 3.45Å; D852-L857 PolarHBondContact OD2-N 2.03Å
853	V	94.1	Very high	95.3	Very high	88 Å²	88	60.4 Å²	60.4	53%	0.533	33%	0.326	S	S	.	.	S	Bend	trans	-79.2	-31.1	-170.9	163.5	0	0	0	0	113.9	D860	V853-D860 WeakPolarHBondContact CB-OD1 2.98Å; V853-D860 VanDerWaalsContact CG2-OD1 3.29Å; V853-D860 WeakPolarHBondContact CG2-OD1 3.32Å; V853-D860 WeakPolarHBondContact CG2-OD2 3.39Å; V853-D860 PolarHBondContact N-OD1 3.26Å; V853-D860 VanDerWaalsContact N-OD1 3.13Å
854	D	93.3	Very high	95.3	Very high	23 Å²	23	61.1 Å²	61.1	12%	0.123	33%	0.327	C	S	.	.	S	Bend	trans	-115.6	11.1	178.2	78.6	-55.4	0	0	0	115.8	S1037 S1038	D854-S1037 CarbonylContact O-C 3.52Å; D854-S1037 VanDerWaalsContact O-CB 3.3Å; D854-S1037 WeakPolarHBondContact O-CB 3.44Å; D854-S1037 WeakPolarHBondContact OD2-CB 3.44Å; D854-S1037 PolarHBondContact OD2-OG 3.28Å; D854-S1038 VanDerWaalsContact C-OG 3.24Å; D854-S1038 WeakPolarHBondContact CA-OG 3.4Å; D854-S1038 WeakPolarHBondContact O-CA 3.46Å; D854-S1038 WeakPolarHBondContact O-CB 3.43Å; D854-S1038 PolarHBondContact O-N 3.34Å; D854-S1038 PolarHBondContact O-OG 3.24Å
855	N	96.1	Very high	95.2	Very high	30 Å²	30	59.1 Å²	59.1	16%	0.16	32%	0.317	C	S	.	.	S	Bend	trans	70.2	41.8	158.5	-64.7	-150.3	0	0	0	113.2	D852 Q967 V969 Y1035	D852-N855 PolarHBondContact O-ND2 2.85Å; D852-N855 WeakPolarHBondContact OD1-CA 3.14Å; D852-N855 PolarHBondContact OD1-N 2.99Å; D852-N855 VanDerWaalsContact OD2-CA 3.28Å; D852-N855 WeakPolarHBondContact OD2-CA 3.09Å; N855-Q967 PolarHBondContact O-NE2 2.04Å; N855-V969 HydrophobicContact CB-CG1 4.06Å; N855-V969 HydrophobicContact CB-CG2 4.41Å; N855-Y1035 WeakPolarHBondContact CB-OH 3.43Å; N855-Y1035 WeakPolarHBondContact O-CE1 3.38Å; N855-Y1035 PolarHBondContact O-OH 2.85Å
856	D	94.9	Very high	95.2	Very high	31 Å²	31	60.3 Å²	60.3	17%	0.166	32%	0.32	C	S	.	.	S	Bend	trans	-96.7	-6.1	175.2	70.8	-6.2	0	0	0	114.3	D852 V858 Q1036 R1153	D852-D856 PolarHBondContact OD1-N 2.77Å; D852-D856 PolarHBondContact OD2-N 3.38Å; D856-V858 WeakPolarHBondContact OD1-CA 3.42Å; D856-V858 WeakPolarHBondContact OD1-CB 3.48Å; D856-V858 PolarHBondContact OD1-N 3.07Å; D856-Q1036 WeakPolarHBondContact CA-O 3.48Å; D856-Q1036 VanDerWaalsContact CB-O 3.24Å; D856-Q1036 WeakPolarHBondContact CB-O 3.46Å; D856-R1153 PolarHBondContact O-NH2 3.38Å
857	L	95.7	Very high	95.3	Very high	80 Å²	80	56.5 Å²	56.5	42%	0.419	30%	0.304	S	S	.	.	S	Bend	trans	82.6	9.9	-171.8	-48.3	169.1	0	0	0	115.2	D852 Q967 F1006	D852-L857 WeakPolarHBondContact OD2-CA 3.45Å; D852-L857 PolarHBondContact OD2-N 2.03Å; L857-Q967 HydrophobicContact CD2-CG 4.28Å; L857-F1006 HydrophobicContact CD1-CD1 4.06Å; L857-F1006 HydrophobicContact CD1-CE1 3.85Å; L857-F1006 HydrophobicContact CD2-CE1 4.49Å
858	V	96.5	Very high	95.3	Very high	23 Å²	23	60.8 Å²	60.8	14%	0.139	33%	0.325	C	S	.	.	S	Bend	trans	-111.6	122.3	174.7	-174.6	0	0	0	0	109.3	D856 C862 D863 L877	D856-V858 WeakPolarHBondContact OD1-CA 3.42Å; D856-V858 WeakPolarHBondContact OD1-CB 3.48Å; D856-V858 PolarHBondContact OD1-N 3.07Å; V858-C862 WeakPolarHBondContact CG1-SG 3.48Å; V858-D863 HydrophobicContact CG1-CB 4.16Å; V858-L877 HydrophobicContact CG1-CD1 4.23Å; V858-L877 HydrophobicContact CG2-CD1 3.99Å
859	G	96	Very high	95.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.314	C	S	.	.			trans	-70	152.4	-174.4	0	0	0	0	0	114.7	N841 C842 Q861 C862 D863	N841-G859 VanDerWaalsContact CG-CA 3.5Å; N841-G859 PolarHBondContact O-N 3.2Å; N841-G859 VanDerWaalsContact OD1-CA 3.26Å; N841-G859 WeakPolarHBondContact OD1-CA 3.31Å; C842-G859 VanDerWaalsContact SG-C 3.54Å; C842-G859 WeakPolarHBondContact SG-CA 3.39Å; C842-G859 PolarHBondContact SG-N 2.98Å; C842-G859 VanDerWaalsContact SG-N 3.42Å; C842-G859 PolarHBondContact SG-O 2.65Å; G859-Q861 PolarHBondContact O-N 3.42Å; G859-C862 PolarHBondContact O-N 3.32Å; G859-D863 PolarHBondContact O-N 2.72Å
860	D	95.1	Very high	95.4	Very high	57 Å²	57	56 Å²	56	31%	0.305	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-14.5	-177.4	-71.1	-20.9	0	0	0	115.6	T851 V853	T851-D860 WeakPolarHBondContact CB-OD2 3Å; T851-D860 WeakPolarHBondContact O-CB 3.37Å; T851-D860 PolarHBondContact O-N 3.3Å; T851-D860 PolarHBondContact OG1-OD2 3.16Å; V853-D860 WeakPolarHBondContact CB-OD1 2.98Å; V853-D860 VanDerWaalsContact CG2-OD1 3.29Å; V853-D860 WeakPolarHBondContact CG2-OD1 3.32Å; V853-D860 WeakPolarHBondContact CG2-OD2 3.39Å; V853-D860 PolarHBondContact N-OD1 3.26Å; V853-D860 VanDerWaalsContact N-OD1 3.13Å
861	Q	95.3	Very high	95.4	Very high	120 Å²	120	53.8 Å²	53.8	56%	0.561	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-24	178.5	-59.4	-45.4	-76.1	0	0	113.8	N847 G859	N847-Q861 HydrophobicContact CB-CB 4.18Å; N847-Q861 HydrophobicContact CB-CG 3.7Å; G859-Q861 PolarHBondContact O-N 3.42Å
862	C	94.1	Very high	95.4	Very high	18 Å²	18	51.9 Å²	51.9	12%	0.122	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	-21.4	178.4	64.1	0	0	0	0	113.2	N841 C842 L845 V858 G859 N864 Q874	N841-C862 PolarHBondContact O-SG 3.02Å; C842-C862 WeakPolarHBondContact CA-SG 3.4Å; C842-C862 HydrophobicContact CB-CB 3.61Å; C842-C862 WeakPolarHBondContact CB-SG 3.12Å; C842-C862 WeakPolarHBondContact SG-CB 3.24Å; C842-C862 PolarHBondContact SG-N 3.45Å; C842-C862 CovalentContact SG-SG 2.03Å; C842-C862 PolarHBondContact SG-SG 3.05Å; L845-C862 HydrophobicContact CB-CB 4.48Å; L845-C862 HydrophobicContact CD1-CB 3.8Å; V858-C862 WeakPolarHBondContact CG1-SG 3.48Å; G859-C862 PolarHBondContact O-N 3.32Å; C862-N864 PolarHBondContact O-N 3.03Å; C862-N864 PolarHBondContact O-ND2 3.35Å; C862-Q874 PolarHBondContact O-NE2 2.68Å; C862-Q874 PolarHBondContact O-OE1 2.95Å
863	D	95.8	Very high	95.5	Very high	42 Å²	42	52.1 Å²	52.1	23%	0.225	28%	0.276	C	S	.	.			trans	-52.9	130.3	160.5	167.4	45.1	0	0	0	109.2	V858 G859 N865	V858-D863 HydrophobicContact CG1-CB 4.16Å; G859-D863 PolarHBondContact O-N 2.72Å; D863-N865 VanDerWaalsContact CG-ND2 3.31Å; D863-N865 WeakPolarHBondContact OD1-CA 3.23Å; D863-N865 PolarHBondContact OD1-N 3.45Å; D863-N865 PolarHBondContact OD1-ND2 2.9Å; D863-N865 PolarHBondContact OD2-ND2 3.28Å; D863-N865 VanDerWaalsContact OD2-ND2 3.16Å
864	N	94.3	Very high	95.6	Very high	60 Å²	60	48.4 Å²	48.4	32%	0.321	25%	0.253	S	S	.	.			trans	-135.5	8.3	167.8	62.7	89.3	0	0	0	113	C862 Q866 Q874 N876	C862-N864 PolarHBondContact O-N 3.03Å; C862-N864 PolarHBondContact O-ND2 3.35Å; N864-Q866 PolarHBondContact O-N 3.26Å; N864-Q866 VanDerWaalsContact OD1-CB 3.3Å; N864-Q866 WeakPolarHBondContact OD1-CB 3.33Å; N864-Q866 PolarHBondContact OD1-NE2 3.4Å; N864-Q874 PolarHBondContact ND2-OE1 3Å; N864-N876 PolarHBondContact ND2-OD1 3.1Å
865	N	93.4	Very high	95.6	Very high	93 Å²	93	49.8 Å²	49.8	50%	0.497	26%	0.261	S	S	.	.			trans	52.9	22.4	174.4	-106	-114.5	0	0	0	113.6	D863 D867	D863-N865 VanDerWaalsContact CG-ND2 3.31Å; D863-N865 WeakPolarHBondContact OD1-CA 3.23Å; D863-N865 PolarHBondContact OD1-N 3.45Å; D863-N865 PolarHBondContact OD1-ND2 2.9Å; D863-N865 PolarHBondContact OD2-ND2 3.28Å; D863-N865 VanDerWaalsContact OD2-ND2 3.16Å; N865-D867 PolarHBondContact O-N 2.84Å
866	Q	95.6	Very high	95.4	Very high	122 Å²	122	52.6 Å²	52.6	57%	0.57	28%	0.276	S	S	*	.			trans	-98	88.3	174.8	-67.3	164.4	97.5	0	0	109	N864 Q874 N875	N864-Q866 PolarHBondContact O-N 3.26Å; N864-Q866 VanDerWaalsContact OD1-CB 3.3Å; N864-Q866 WeakPolarHBondContact OD1-CB 3.33Å; N864-Q866 PolarHBondContact OD1-NE2 3.4Å; Q866-Q874 CarbonylContact O-C 3.59Å; Q866-Q874 WeakPolarHBondContact O-CA 3.37Å; Q866-N875 VanDerWaalsContact C-ND2 3.34Å; Q866-N875 PolarHBondContact O-N 2.84Å; Q866-N875 PolarHBondContact O-ND2 3.11Å
867	D	96.4	Very high	95.4	Very high	28 Å²	28	55.9 Å²	55.9	15%	0.15	29%	0.293	C	S	.	.			trans	-103.9	141.2	159.4	169.5	-2.3	0	0	0	106	N865 D869 E870 D871 G872 R1040	N865-D867 PolarHBondContact O-N 2.84Å; D867-D869 PolarHBondContact OD1-N 2.93Å; D867-E870 VanDerWaalsContact CG-CA 3.44Å; D867-E870 WeakPolarHBondContact OD1-CA 3.1Å; D867-E870 PolarHBondContact OD1-N 2.8Å; D867-E870 WeakPolarHBondContact OD2-CA 3.41Å; D867-D871 PolarHBondContact OD1-N 3.41Å; D867-D871 PolarHBondContact OD2-N 3.18Å; D867-D871 VanDerWaalsContact OD2-N 3.12Å; D867-G872 PolarHBondContact OD2-N 2.88Å; D867-G872 VanDerWaalsContact OD2-N 3.1Å; D867-R1040 IonicContact OD2-NH2 3.38Å; D867-R1040 PolarHBondContact OD2-NH2 3.26Å
868	I	96.7	Very high	95.4	Very high	100 Å²	100	52.6 Å²	52.6	51%	0.513	28%	0.276	S	S	.	.	S	Bend	trans	-118.6	-23.7	-170.3	-165.8	169.6	0	0	0	115	N875 P881 Y882	I868-N875 WeakPolarHBondContact CG2-OD1 3.13Å; I868-N875 PolarHBondContact N-ND2 2.86Å; I868-P881 WeakPolarHBondContact CG2-O 3.39Å; I868-Y882 HydrophobicContact CD1-CD1 4.47Å; I868-Y882 HydrophobicContact CD1-CE1 4.22Å; I868-Y882 HydrophobicContact CG2-CD1 4.18Å; I868-Y882 HydrophobicContact CG2-CE1 4.48Å
869	D	95.6	Very high	95.5	Very high	36 Å²	36	52.9 Å²	52.9	19%	0.193	28%	0.276	C	S	.	.	S	Bend	trans	-113.6	1.7	173.4	48.9	25.1	0	0	0	113.1	D867 Y882 V883 A884 A1150	D867-D869 PolarHBondContact OD1-N 2.93Å; D869-Y882 VanDerWaalsContact OD2-CA 3.25Å; D869-Y882 WeakPolarHBondContact OD2-CA 3.34Å; D869-V883 PolarHBondContact OD2-N 3.16Å; D869-A884 HydrophobicContact CB-CB 4Å; D869-A884 PolarHBondContact OD2-N 3.21Å; D869-A1150 WeakPolarHBondContact O-CB 3.34Å
870	E	97.3	Very high	95.5	Very high	78 Å²	78	53 Å²	53	36%	0.364	28%	0.277	S	S	.	.	S	Bend	trans	76	31.4	165.3	-50.4	-97.4	-157.2	0	0	113.6	D867 Q1036 R1040 F1149 A1150	D867-E870 VanDerWaalsContact CG-CA 3.44Å; D867-E870 WeakPolarHBondContact OD1-CA 3.1Å; D867-E870 PolarHBondContact OD1-N 2.8Å; D867-E870 WeakPolarHBondContact OD2-CA 3.41Å; E870-Q1036 PolarHBondContact O-NE2 2.66Å; E870-R1040 IonicContact OE2-CZ 3.95Å; E870-R1040 VanDerWaalsContact OE2-CZ 3.24Å; E870-R1040 IonicContact OE2-NH1 2.64Å; E870-R1040 PolarHBondContact OE2-NH1 3.39Å; E870-R1040 IonicContact OE2-NH2 3.17Å; E870-R1040 PolarHBondContact OE2-NH2 2.59Å; E870-F1149 CarbonylContact O-C 3.56Å; E870-F1149 WeakPolarHBondContact O-CA 3.44Å; E870-A1150 PolarHBondContact O-N 2.03Å
871	D	96.6	Very high	95.6	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.273	C	S	.	.	S	Bend	trans	-84.6	-26.7	-173.4	97.5	-16.2	0	0	0	115.5	D867 H873 A884 N885 A886 Q1036 A1150	D867-D871 PolarHBondContact OD1-N 3.41Å; D867-D871 PolarHBondContact OD2-N 3.18Å; D867-D871 VanDerWaalsContact OD2-N 3.12Å; D871-H873 IonicContact OD1-CD2 3.59Å; D871-H873 PolarHBondContact OD1-N 3.18Å; D871-A884 HydrophobicContact CB-CB 3.75Å; D871-N885 WeakPolarHBondContact OD2-CA 3.49Å; D871-N885 PolarHBondContact OD2-N 2.84Å; D871-A886 HydrophobicContact CB-CB 4.15Å; D871-A886 VanDerWaalsContact O-CB 3.28Å; D871-A886 WeakPolarHBondContact O-CB 3.32Å; D871-A886 WeakPolarHBondContact OD2-CA 3.42Å; D871-A886 PolarHBondContact OD2-N 2.76Å; D871-Q1036 PolarHBondContact O-NE2 3.33Å; D871-A1150 HydrophobicContact CB-CB 4.11Å
872	G	95.6	Very high	95.6	Very high	25 Å²	25	54.8 Å²	54.8	26%	0.258	28%	0.28	S	S	.	.	S	Bend	trans	130.4	-28.8	-177.9	0	0	0	0	0	114	D867 Q1036	D867-G872 PolarHBondContact OD2-N 2.88Å; D867-G872 VanDerWaalsContact OD2-N 3.1Å; G872-Q1036 VanDerWaalsContact CA-CD 3.49Å; G872-Q1036 VanDerWaalsContact N-NE2 3.2Å
873	H	97.1	Very high	95.6	Very high	40 Å²	40	57.5 Å²	57.5	19%	0.185	30%	0.296	C	S	.	.	S	Bend	trans	-94.6	133.1	-176.4	-66.3	-78.7	0	0	0	111.2	D871 D878 A886 Q888 E1008	D871-H873 IonicContact OD1-CD2 3.59Å; D871-H873 PolarHBondContact OD1-N 3.18Å; H873-D878 HydrophobicContact CB-CB 3.82Å; H873-A886 PolarHBondContact NE2-O 2.88Å; H873-Q888 VanDerWaalsContact CD2-CG 3.41Å; H873-Q888 WeakPolarHBondContact CD2-CG 3.41Å; H873-Q888 WeakPolarHBondContact NE2-CG 3.36Å; H873-E1008 IonicContact CE1-OE2 2.55Å; H873-E1008 PolarHBondContact CE1-OE2 3.42Å; H873-E1008 IonicContact NE2-OE2 2.97Å; H873-E1008 PolarHBondContact NE2-OE2 3.41Å
874	Q	96.1	Very high	95.6	Very high	11 Å²	11	56.5 Å²	56.5	5%	0.051	29%	0.294	C	S	.	.			trans	-74.5	147.1	177.4	55.9	171.1	7.1	0	0	111.6	C862 N864 Q866 N876 L877 D878	C862-Q874 PolarHBondContact O-NE2 2.68Å; C862-Q874 PolarHBondContact O-OE1 2.95Å; N864-Q874 PolarHBondContact ND2-OE1 3Å; Q866-Q874 CarbonylContact O-C 3.59Å; Q866-Q874 WeakPolarHBondContact O-CA 3.37Å; Q874-N876 PolarHBondContact NE2-ND2 3.15Å; Q874-N876 VanDerWaalsContact NE2-ND2 3.14Å; Q874-N876 PolarHBondContact O-N 3.25Å; Q874-L877 HydrophobicContact CG-CB 4.3Å; Q874-L877 HydrophobicContact CG-CD1 3.92Å; Q874-L877 HydrophobicContact CG-CG 4.02Å; Q874-L877 PolarHBondContact O-N 2.76Å; Q874-D878 WeakPolarHBondContact O-CB 3.09Å; Q874-D878 PolarHBondContact O-N 2.77Å
875	N	93.2	Very high	95.7	Very high	52 Å²	52	53.7 Å²	53.7	28%	0.278	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-9.9	-173.5	-84.7	-108.2	0	0	0	116.4	Q866 I868	Q866-N875 VanDerWaalsContact C-ND2 3.34Å; Q866-N875 PolarHBondContact O-N 2.84Å; Q866-N875 PolarHBondContact O-ND2 3.11Å; I868-N875 WeakPolarHBondContact CG2-OD1 3.13Å; I868-N875 PolarHBondContact N-ND2 2.86Å
876	N	91.7	Very high	95.9	Very high	88 Å²	88	49.3 Å²	49.3	47%	0.471	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-0.3	-177.9	60.2	-90.3	0	0	0	114.2	N864 Q874	N864-N876 PolarHBondContact ND2-OD1 3.1Å; Q874-N876 PolarHBondContact NE2-ND2 3.15Å; Q874-N876 VanDerWaalsContact NE2-ND2 3.14Å; Q874-N876 PolarHBondContact O-N 3.25Å
877	L	94.6	Very high	95.9	Very high	100 Å²	100	45.2 Å²	45.2	52%	0.524	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	-31.8	171.5	-62	179.6	0	0	0	110.8	V858 Q874	V858-L877 HydrophobicContact CG1-CD1 4.23Å; V858-L877 HydrophobicContact CG2-CD1 3.99Å; Q874-L877 HydrophobicContact CG-CB 4.3Å; Q874-L877 HydrophobicContact CG-CD1 3.92Å; Q874-L877 HydrophobicContact CG-CG 4.02Å; Q874-L877 PolarHBondContact O-N 2.76Å
878	D	97.3	Very high	95.9	Very high	12 Å²	12	45.7 Å²	45.7	6%	0.064	24%	0.239	C	C	.	.			trans	-57.9	129.8	174.9	-179.1	8.1	0	0	0	113.1	H873 Q874 C880 P881 Q888	H873-D878 HydrophobicContact CB-CB 3.82Å; Q874-D878 WeakPolarHBondContact O-CB 3.09Å; Q874-D878 PolarHBondContact O-N 2.77Å; D878-C880 PolarHBondContact OD1-N 3.16Å; D878-C880 VanDerWaalsContact OD2-C 3.27Å; D878-P881 HydrophobicContact CB-CG 4.29Å; D878-P881 WeakPolarHBondContact O-CD 3.44Å; D878-P881 WeakPolarHBondContact O-CG 3.46Å; D878-P881 WeakPolarHBondContact OD2-CA 3.28Å; D878-Q888 PolarHBondContact OD1-NE2 3.01Å; D878-Q888 PolarHBondContact OD1-OE1 3.36Å
879	N	97.3	Very high	95.9	Very high	28 Å²	28	41.3 Å²	41.3	15%	0.15	22%	0.218	C	C	.	.	S	Bend	trans	-81.8	-11.7	176.4	69.9	11.2	0	0	0	114.1	N885 Q888 G897	N879-N885 PolarHBondContact OD1-ND2 2.81Å; N879-Q888 VanDerWaalsContact CG-OE1 3.26Å; N879-Q888 PolarHBondContact ND2-O 3.38Å; N879-Q888 PolarHBondContact OD1-OE1 2.89Å; N879-G897 WeakPolarHBondContact ND2-CA 3.48Å; N879-G897 WeakPolarHBondContact OD1-CA 3.27Å
880	C	96.9	Very high	96	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.02	22%	0.217	C	C	.	.	S	Bend	trans	-134.7	65.2	170.8	-73.5	0	0	0	0	114.4	D878 Y882 V883 N885 G897 C900	D878-C880 PolarHBondContact OD1-N 3.16Å; D878-C880 VanDerWaalsContact OD2-C 3.27Å; C880-Y882 PolarHBondContact O-N 2.81Å; C880-V883 PolarHBondContact O-N 2.88Å; C880-N885 WeakPolarHBondContact CB-OD1 3.41Å; C880-G897 VanDerWaalsContact SG-CA 3.56Å; C880-G897 PolarHBondContact SG-N 2.97Å; C880-G897 VanDerWaalsContact SG-N 3.39Å; C880-G897 PolarHBondContact SG-O 3.29Å; C880-C900 VanDerWaalsContact CA-SG 3.51Å; C880-C900 HydrophobicContact CB-CB 3.73Å; C880-C900 WeakPolarHBondContact CB-SG 3.46Å; C880-C900 WeakPolarHBondContact SG-CB 3.23Å; C880-C900 PolarHBondContact SG-N 2.55Å; C880-C900 VanDerWaalsContact SG-N 3.36Å; C880-C900 CovalentContact SG-SG 2.03Å; C880-C900 PolarHBondContact SG-SG 2.74Å
881	P	96.2	Very high	96	Very high	35 Å²	35	38.3 Å²	38.3	23%	0.227	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	11.6	-172.8	-30.3	38.4	0	0	0	121.5	I868 D878	I868-P881 WeakPolarHBondContact CG2-O 3.39Å; D878-P881 HydrophobicContact CB-CG 4.29Å; D878-P881 WeakPolarHBondContact O-CD 3.44Å; D878-P881 WeakPolarHBondContact O-CG 3.46Å; D878-P881 WeakPolarHBondContact OD2-CA 3.28Å
882	Y	95.4	Very high	95.9	Very high	180 Å²	180	40.5 Å²	40.5	71%	0.706	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-146.7	8.1	174.3	-53.2	-64.4	0	0	0	113.6	I868 D869 C880	I868-Y882 HydrophobicContact CD1-CD1 4.47Å; I868-Y882 HydrophobicContact CD1-CE1 4.22Å; I868-Y882 HydrophobicContact CG2-CD1 4.18Å; I868-Y882 HydrophobicContact CG2-CE1 4.48Å; D869-Y882 VanDerWaalsContact OD2-CA 3.25Å; D869-Y882 WeakPolarHBondContact OD2-CA 3.34Å; C880-Y882 PolarHBondContact O-N 2.81Å
883	V	94.6	Very high	95.9	Very high	74 Å²	74	46.6 Å²	46.6	45%	0.448	23%	0.234	S	C	.	.	S	Bend	trans	-139.2	45.9	-174.3	-156.2	0	0	0	0	114.2	D869 C880 N885 A899 C900	D869-V883 PolarHBondContact OD2-N 3.16Å; C880-V883 PolarHBondContact O-N 2.88Å; V883-N885 PolarHBondContact O-N 2.67Å; V883-A899 WeakPolarHBondContact CG1-O 3.06Å; V883-C900 HydrophobicContact CB-CB 4.18Å; V883-C900 HydrophobicContact CG2-CB 3.9Å
884	A	95.9	Very high	95.8	Very high	22 Å²	22	49.2 Å²	49.2	18%	0.182	25%	0.25	C	C	.	.			trans	12.2	95.7	165.4	0	0	0	0	0	117.1	D869 D871 A1150	D869-A884 HydrophobicContact CB-CB 4Å; D869-A884 PolarHBondContact OD2-N 3.21Å; D871-A884 HydrophobicContact CB-CB 3.75Å; A884-A1150 HydrophobicContact CB-CB 3.83Å
885	N	96.3	Very high	95.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.274	C	S	.	.			trans	-141.5	70.2	-177.5	62	-48.6	0	0	0	109.3	D871 N879 C880 V883 N887 Q888 A899 N1010	D871-N885 WeakPolarHBondContact OD2-CA 3.49Å; D871-N885 PolarHBondContact OD2-N 2.84Å; N879-N885 PolarHBondContact OD1-ND2 2.81Å; C880-N885 WeakPolarHBondContact CB-OD1 3.41Å; V883-N885 PolarHBondContact O-N 2.67Å; N885-N887 PolarHBondContact O-N 2.76Å; N885-Q888 WeakPolarHBondContact O-CA 3.27Å; N885-Q888 PolarHBondContact O-N 2.77Å; N885-Q888 PolarHBondContact O-NE2 3.21Å; N885-Q888 VanDerWaalsContact O-NE2 3.15Å; N885-Q888 PolarHBondContact OD1-NE2 2.88Å; N885-A899 HydrophobicContact CB-CB 3.43Å; N885-A899 VanDerWaalsContact CB-CB 3.43Å; N885-N1010 VanDerWaalsContact CA-OD1 3.27Å; N885-N1010 WeakPolarHBondContact CA-OD1 3.45Å
886	A	97	Very high	95.9	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.008	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-11.3	-175	0	0	0	0	0	115.1	D871 H873 E1008 N1010 G1152	D871-A886 HydrophobicContact CB-CB 4.15Å; D871-A886 VanDerWaalsContact O-CB 3.28Å; D871-A886 WeakPolarHBondContact O-CB 3.32Å; D871-A886 WeakPolarHBondContact OD2-CA 3.42Å; D871-A886 PolarHBondContact OD2-N 2.76Å; H873-A886 PolarHBondContact NE2-O 2.88Å; A886-E1008 WeakPolarHBondContact O-CB 3.1Å; A886-E1008 VanDerWaalsContact O-OE2 3.13Å; A886-N1010 PolarHBondContact N-OD1 3.39Å; A886-G1152 VanDerWaalsContact CB-N 3.29Å
887	N	96.4	Very high	96.1	Very high	36 Å²	36	47.5 Å²	47.5	19%	0.193	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-5.6	170.4	77.6	-33.4	0	0	0	114.8	N885 A889 N955 E1008 N1010	N885-N887 PolarHBondContact O-N 2.76Å; N887-A889 WeakPolarHBondContact ND2-CB 3.14Å; N887-A889 PolarHBondContact O-N 2.85Å; N887-N955 PolarHBondContact ND2-ND2 3.43Å; N887-E1008 WeakPolarHBondContact CB-O 3.48Å; N887-N1010 PolarHBondContact N-OD1 3.3Å; N887-N1010 PolarHBondContact OD1-ND2 2.76Å; N887-N1010 PolarHBondContact OD1-OD1 2.8Å
888	Q	97.1	Very high	96.2	Very high	38 Å²	38	43.9 Å²	43.9	18%	0.178	23%	0.232	C	C	.	.			trans	47	29.5	178.6	-66.1	-72.2	-64.8	0	0	114.5	H873 D878 N879 N885 D890	H873-Q888 VanDerWaalsContact CD2-CG 3.41Å; H873-Q888 WeakPolarHBondContact CD2-CG 3.41Å; H873-Q888 WeakPolarHBondContact NE2-CG 3.36Å; D878-Q888 PolarHBondContact OD1-NE2 3.01Å; D878-Q888 PolarHBondContact OD1-OE1 3.36Å; N879-Q888 VanDerWaalsContact CG-OE1 3.26Å; N879-Q888 PolarHBondContact ND2-O 3.38Å; N879-Q888 PolarHBondContact OD1-OE1 2.89Å; N885-Q888 WeakPolarHBondContact O-CA 3.27Å; N885-Q888 PolarHBondContact O-N 2.77Å; N885-Q888 PolarHBondContact O-NE2 3.21Å; N885-Q888 VanDerWaalsContact O-NE2 3.15Å; N885-Q888 PolarHBondContact OD1-NE2 2.88Å; Q888-D890 PolarHBondContact O-N 3.32Å
889	A	96.8	Very high	96.1	Very high	9 Å²	9	45.5 Å²	45.5	7%	0.074	25%	0.247	C	C	.	.			trans	-59.7	134.5	-179	0	0	0	0	0	111.1	N887 G897 D898	N887-A889 WeakPolarHBondContact ND2-CB 3.14Å; N887-A889 PolarHBondContact O-N 2.85Å; A889-G897 CarbonylContact O-C 3.6Å; A889-G897 WeakPolarHBondContact O-CA 3.26Å; A889-D898 VanDerWaalsContact C-OD1 3.3Å; A889-D898 VanDerWaalsContact CB-OD2 3.22Å; A889-D898 WeakPolarHBondContact CB-OD2 3.22Å; A889-D898 PolarHBondContact O-N 2.91Å
890	D	96.9	Very high	95.9	Very high	32 Å²	32	45.8 Å²	45.8	17%	0.171	25%	0.251	C	S	.	.			trans	-153.8	84.3	-173.5	179.1	-12	0	0	0	104.7	Q888 K893 D894 G895 K896 D898	Q888-D890 PolarHBondContact O-N 3.32Å; D890-K893 WeakPolarHBondContact O-CE 3.4Å; D890-K893 VanDerWaalsContact O-CG 3.3Å; D890-K893 WeakPolarHBondContact O-CG 3.06Å; D890-K893 WeakPolarHBondContact OD1-CA 3.42Å; D890-K893 PolarHBondContact OD1-N 2.95Å; D890-D894 PolarHBondContact OD1-N 3Å; D890-G895 WeakPolarHBondContact OD2-CA 2.92Å; D890-G895 PolarHBondContact OD2-N 2.87Å; D890-G895 VanDerWaalsContact OD2-N 3.1Å; D890-K896 PolarHBondContact OD2-N 3.21Å; D890-D898 WeakPolarHBondContact CA-OD1 3.33Å; D890-D898 PolarHBondContact N-OD1 3.24Å
891	H	96.2	Very high	95.9	Very high	19 Å²	19	46.7 Å²	46.7	9%	0.088	26%	0.255	C	S	.	.	S	Bend	trans	-72	-39.1	-167	-81.1	76.7	0	0	0	112.8	D898 L918 N956	H891-D898 IonicContact CE1-OD2 2.85Å; H891-D898 PolarHBondContact CE1-OD2 2.79Å; H891-D898 PolarHBondContact N-OD1 3.17Å; H891-D898 VanDerWaalsContact N-OD1 3.16Å; H891-D898 IonicContact ND1-OD1 3.61Å; H891-D898 PolarHBondContact ND1-OD1 2.84Å; H891-D898 IonicContact ND1-OD2 2.66Å; H891-D898 PolarHBondContact ND1-OD2 2.66Å; H891-L918 HydrophobicContact CB-CD2 4.26Å; H891-N956 PolarHBondContact CD2-ND2 3.37Å; H891-N956 PolarHBondContact NE2-N 2.97Å
892	D	94.9	Very high	95.8	Very high	45 Å²	45	53.7 Å²	53.7	24%	0.241	28%	0.279	C	S	.	.	S	Bend	trans	-82.5	-23.6	177.5	67.6	27	0	0	0	115.1	D894 D904 N906	D892-D894 WeakPolarHBondContact OD1-CB 3.38Å; D892-D894 PolarHBondContact OD1-N 2.59Å; D892-D904 PolarHBondContact N-O 3.45Å; D892-N906 HydrophobicContact CB-CB 4.06Å; D892-N906 VanDerWaalsContact OD2-CB 3.3Å; D892-N906 WeakPolarHBondContact OD2-CB 3.39Å; D892-N906 PolarHBondContact OD2-N 2.76Å; D892-N906 PolarHBondContact OD2-ND2 3.18Å
893	K	96.5	Very high	95.9	Very high	153 Å²	153	47 Å²	47	67%	0.665	26%	0.255	S	S	*	.			trans	75	35.1	177.7	-51.8	175.6	-170.5	-173.9	0	112.9	D890 G895	D890-K893 WeakPolarHBondContact O-CE 3.4Å; D890-K893 VanDerWaalsContact O-CG 3.3Å; D890-K893 WeakPolarHBondContact O-CG 3.06Å; D890-K893 WeakPolarHBondContact OD1-CA 3.42Å; D890-K893 PolarHBondContact OD1-N 2.95Å; K893-G895 VanDerWaalsContact C-N 3.31Å
894	D	95.6	Very high	96	Very high	95 Å²	95	43.8 Å²	43.8	51%	0.508	24%	0.235	S	C	.	.	S	Bend	trans	-64.5	-29.4	166.4	168.8	-93.3	0	0	0	112.3	D890 D892 K896	D890-D894 PolarHBondContact OD1-N 3Å; D892-D894 WeakPolarHBondContact OD1-CB 3.38Å; D892-D894 PolarHBondContact OD1-N 2.59Å; D894-K896 WeakPolarHBondContact OD1-CB 3.3Å; D894-K896 IonicContact OD1-NZ 3.03Å; D894-K896 PolarHBondContact OD1-NZ 2.88Å
895	G	94.5	Very high	96	Very high	54 Å²	54	43.3 Å²	43.3	56%	0.557	23%	0.23	S	C	*	.	S	Bend	trans	96.5	25.8	-175.3	0	0	0	0	0	113.9	D890 K893	D890-G895 WeakPolarHBondContact OD2-CA 2.92Å; D890-G895 PolarHBondContact OD2-N 2.87Å; D890-G895 VanDerWaalsContact OD2-N 3.1Å; K893-G895 VanDerWaalsContact C-N 3.31Å
896	K	96.1	Very high	96	Very high	61 Å²	61	47.7 Å²	47.7	27%	0.265	25%	0.253	S	S	.	.	S	Bend	trans	-141.7	128.6	176.2	178.8	173.5	79	-56.7	0	106.9	D890 D894 D901	D890-K896 PolarHBondContact OD2-N 3.21Å; D894-K896 WeakPolarHBondContact OD1-CB 3.3Å; D894-K896 IonicContact OD1-NZ 3.03Å; D894-K896 PolarHBondContact OD1-NZ 2.88Å; K896-D901 WeakPolarHBondContact CE-OD1 3.35Å; K896-D901 WeakPolarHBondContact CE-OD2 3.37Å; K896-D901 IonicContact NZ-OD1 2.62Å; K896-D901 PolarHBondContact NZ-OD1 2.6Å; K896-D901 IonicContact NZ-OD2 2.99Å; K896-D901 PolarHBondContact NZ-OD2 2.79Å
897	G	96.6	Very high	96	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	26%	0.26	C	S	.	.			trans	-77.5	151.3	-171.6	0	0	0	0	0	114.1	N879 C880 A889 A899 C900 D901	N879-G897 WeakPolarHBondContact ND2-CA 3.48Å; N879-G897 WeakPolarHBondContact OD1-CA 3.27Å; C880-G897 VanDerWaalsContact SG-CA 3.56Å; C880-G897 PolarHBondContact SG-N 2.97Å; C880-G897 VanDerWaalsContact SG-N 3.39Å; C880-G897 PolarHBondContact SG-O 3.29Å; A889-G897 CarbonylContact O-C 3.6Å; A889-G897 WeakPolarHBondContact O-CA 3.26Å; G897-A899 PolarHBondContact O-N 2.9Å; G897-C900 PolarHBondContact O-N 2.8Å; G897-D901 PolarHBondContact O-N 3.12Å
898	D	96.1	Very high	95.9	Very high	25 Å²	25	49.9 Å²	49.9	13%	0.134	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-45.1	-41.6	179.6	-48.3	-9.2	0	0	0	112	A889 D890 H891 C900 D901 D904	A889-D898 VanDerWaalsContact C-OD1 3.3Å; A889-D898 VanDerWaalsContact CB-OD2 3.22Å; A889-D898 WeakPolarHBondContact CB-OD2 3.22Å; A889-D898 PolarHBondContact O-N 2.91Å; D890-D898 WeakPolarHBondContact CA-OD1 3.33Å; D890-D898 PolarHBondContact N-OD1 3.24Å; H891-D898 IonicContact CE1-OD2 2.85Å; H891-D898 PolarHBondContact CE1-OD2 2.79Å; H891-D898 PolarHBondContact N-OD1 3.17Å; H891-D898 VanDerWaalsContact N-OD1 3.16Å; H891-D898 IonicContact ND1-OD1 3.61Å; H891-D898 PolarHBondContact ND1-OD1 2.84Å; H891-D898 IonicContact ND1-OD2 2.66Å; H891-D898 PolarHBondContact ND1-OD2 2.66Å; D898-C900 PolarHBondContact O-N 2.89Å; D898-C900 VanDerWaalsContact O-N 3.08Å; D898-D901 PolarHBondContact O-N 3.17Å; D898-D901 VanDerWaalsContact O-N 3.1Å; D898-D904 VanDerWaalsContact CA-OD1 3.32Å; D898-D904 WeakPolarHBondContact CA-OD1 3.25Å
899	A	94.3	Very high	95.8	Very high	45 Å²	45	50.7 Å²	50.7	37%	0.372	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-64	-18	-175	0	0	0	0	0	114.9	V883 N885 G897	V883-A899 WeakPolarHBondContact CG1-O 3.06Å; N885-A899 HydrophobicContact CB-CB 3.43Å; N885-A899 VanDerWaalsContact CB-CB 3.43Å; G897-A899 PolarHBondContact O-N 2.9Å
900	C	94.9	Very high	95.6	Very high	35 Å²	35	51.5 Å²	51.5	24%	0.236	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-124	13.3	173.3	72	0	0	0	0	113.9	C880 V883 G897 D898	C880-C900 VanDerWaalsContact CA-SG 3.51Å; C880-C900 HydrophobicContact CB-CB 3.73Å; C880-C900 WeakPolarHBondContact CB-SG 3.46Å; C880-C900 WeakPolarHBondContact SG-CB 3.23Å; C880-C900 PolarHBondContact SG-N 2.55Å; C880-C900 VanDerWaalsContact SG-N 3.36Å; C880-C900 CovalentContact SG-SG 2.03Å; C880-C900 PolarHBondContact SG-SG 2.74Å; V883-C900 HydrophobicContact CB-CB 4.18Å; V883-C900 HydrophobicContact CG2-CB 3.9Å; G897-C900 PolarHBondContact O-N 2.8Å; D898-C900 PolarHBondContact O-N 2.89Å; D898-C900 VanDerWaalsContact O-N 3.08Å
901	D	95.8	Very high	95.2	Very high	21 Å²	21	52.3 Å²	52.3	11%	0.112	29%	0.294	C	S	.	.			trans	-88	-173.5	173.3	-135.6	-31.8	0	0	0	113.8	K896 G897 D898	K896-D901 WeakPolarHBondContact CE-OD1 3.35Å; K896-D901 WeakPolarHBondContact CE-OD2 3.37Å; K896-D901 IonicContact NZ-OD1 2.62Å; K896-D901 PolarHBondContact NZ-OD1 2.6Å; K896-D901 IonicContact NZ-OD2 2.99Å; K896-D901 PolarHBondContact NZ-OD2 2.79Å; G897-D901 PolarHBondContact O-N 3.12Å; D898-D901 PolarHBondContact O-N 3.17Å; D898-D901 VanDerWaalsContact O-N 3.1Å
902	Y	94.9	Very high	94.9	Very high	182 Å²	182	57.5 Å²	57.5	71%	0.714	32%	0.322	S	S	*	.	S	Bend	trans	-144.2	6.5	174.4	-60.6	-79	0	0	0	113.2	A910 D911	Y902-A910 WeakPolarHBondContact O-CA 3.48Å; Y902-A910 WeakPolarHBondContact O-CB 3.47Å; Y902-D911 VanDerWaalsContact C-CG 3.46Å; Y902-D911 VanDerWaalsContact C-OD1 3.3Å; Y902-D911 WeakPolarHBondContact CA-OD2 3.38Å; Y902-D911 PolarHBondContact O-N 3.1Å
903	D	96	Very high	94.6	Very high	40 Å²	40	61.9 Å²	61.9	21%	0.214	34%	0.339	C	S	.	.			trans	-164.1	55.8	-165.1	-157.9	-34.4	0	0	0	107.4	D905 N906 D907 G908 I909 D911	D903-D905 PolarHBondContact O-N 2.7Å; D903-N906 PolarHBondContact O-N 3.26Å; D903-N906 VanDerWaalsContact OD1-CA 3.24Å; D903-N906 WeakPolarHBondContact OD1-CA 3.02Å; D903-N906 PolarHBondContact OD1-N 3.46Å; D903-D907 PolarHBondContact OD1-N 3.16Å; D903-G908 PolarHBondContact OD1-N 3.35Å; D903-G908 VanDerWaalsContact OD1-N 3.09Å; D903-G908 WeakPolarHBondContact OD2-CA 3.33Å; D903-I909 VanDerWaalsContact OD1-O 3.11Å; D903-D911 WeakPolarHBondContact CA-OD1 3.22Å; D903-D911 PolarHBondContact N-OD1 2.94Å; D903-D911 VanDerWaalsContact N-OD1 3.09Å
904	D	96.6	Very high	94.4	Very high	6 Å²	6	56 Å²	56	3%	0.032	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-20	-165.9	-77.1	-4.8	0	0	0	115.8	D892 D898 D911 R917 L918	D892-D904 PolarHBondContact N-O 3.45Å; D898-D904 VanDerWaalsContact CA-OD1 3.32Å; D898-D904 WeakPolarHBondContact CA-OD1 3.25Å; D904-D911 PolarHBondContact N-OD1 3.28Å; D904-R917 HydrophobicContact CB-CG 4.05Å; D904-R917 WeakPolarHBondContact CB-O 3.21Å; D904-R917 VanDerWaalsContact OD2-CD 3.24Å; D904-R917 WeakPolarHBondContact OD2-CD 3.41Å; D904-R917 WeakPolarHBondContact OD2-CG 3.37Å; D904-R917 IonicContact OD2-CZ 2.53Å; D904-R917 IonicContact OD2-NE 3.68Å; D904-R917 PolarHBondContact OD2-NE 2.04Å; D904-R917 IonicContact OD2-NH2 3.03Å; D904-L918 HydrophobicContact CB-CD2 3.88Å
905	D	96	Very high	94.1	Very high	13 Å²	13	52.5 Å²	52.5	7%	0.07	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.6	5	-179.7	75	4.8	0	0	0	114.5	D903 D907 R917 T919 P920	D903-D905 PolarHBondContact O-N 2.7Å; D905-D907 PolarHBondContact O-N 2.75Å; D905-D907 WeakPolarHBondContact OD1-CB 3.07Å; D905-D907 PolarHBondContact OD1-N 3.42Å; D905-R917 WeakPolarHBondContact CB-O 3.14Å; D905-T919 PolarHBondContact OD2-N 2.94Å; D905-P920 HydrophobicContact CB-CG 3.83Å; D905-P920 WeakPolarHBondContact O-CG 3.47Å; D905-P920 VanDerWaalsContact OD2-CA 3.24Å; D905-P920 WeakPolarHBondContact OD2-CA 3.22Å
906	N	96.8	Very high	94	Very high	92 Å²	92	50 Å²	50	49%	0.492	27%	0.27	S	S	.	.			trans	55.1	25.8	-179.7	-118.2	-82.7	0	0	0	115.3	D892 D903 G908	D892-N906 HydrophobicContact CB-CB 4.06Å; D892-N906 VanDerWaalsContact OD2-CB 3.3Å; D892-N906 WeakPolarHBondContact OD2-CB 3.39Å; D892-N906 PolarHBondContact OD2-N 2.76Å; D892-N906 PolarHBondContact OD2-ND2 3.18Å; D903-N906 PolarHBondContact O-N 3.26Å; D903-N906 VanDerWaalsContact OD1-CA 3.24Å; D903-N906 WeakPolarHBondContact OD1-CA 3.02Å; D903-N906 PolarHBondContact OD1-N 3.46Å; N906-G908 VanDerWaalsContact C-N 3.32Å
907	D	96.8	Very high	93.9	Very high	26 Å²	26	49.4 Å²	49.4	14%	0.139	27%	0.267	C	S	.	.	S	Bend	trans	-71.8	-25.7	177.1	116.8	-7.7	0	0	0	113.1	D903 D905 I909 P920 N921 P922	D903-D907 PolarHBondContact OD1-N 3.16Å; D905-D907 PolarHBondContact O-N 2.75Å; D905-D907 WeakPolarHBondContact OD1-CB 3.07Å; D905-D907 PolarHBondContact OD1-N 3.42Å; D907-I909 WeakPolarHBondContact OD1-CB 3.49Å; D907-I909 VanDerWaalsContact OD1-CG1 3.25Å; D907-I909 WeakPolarHBondContact OD1-CG1 3.3Å; D907-I909 PolarHBondContact OD1-N 3.04Å; D907-P920 HydrophobicContact CB-CB 3.94Å; D907-N921 WeakPolarHBondContact OD2-CA 3.49Å; D907-N921 PolarHBondContact OD2-N 3.04Å; D907-P922 HydrophobicContact CB-CG 3.76Å; D907-P922 WeakPolarHBondContact OD2-CA 3.37Å; D907-P922 VanDerWaalsContact OD2-CD 3.23Å; D907-P922 WeakPolarHBondContact OD2-CD 3.48Å; D907-P922 WeakPolarHBondContact OD2-CG 3.41Å
908	G	94.8	Very high	93.8	Very high	56 Å²	56	49.9 Å²	49.9	58%	0.577	27%	0.269	S	S	*	.	S	Bend	trans	101	1.1	-179.4	0	0	0	0	0	115.6	D903 N906	D903-G908 PolarHBondContact OD1-N 3.35Å; D903-G908 VanDerWaalsContact OD1-N 3.09Å; D903-G908 WeakPolarHBondContact OD2-CA 3.33Å; N906-G908 VanDerWaalsContact C-N 3.32Å
909	I	94.7	Very high	93.8	Very high	56 Å²	56	49.3 Å²	49.3	29%	0.287	27%	0.267	S	S	.	.	S	Bend	trans	-84.6	167.9	155.1	-56.7	-61.1	0	0	0	108.4	D903 D907 K913 D914 Q924	D903-I909 VanDerWaalsContact OD1-O 3.11Å; D907-I909 WeakPolarHBondContact OD1-CB 3.49Å; D907-I909 VanDerWaalsContact OD1-CG1 3.25Å; D907-I909 WeakPolarHBondContact OD1-CG1 3.3Å; D907-I909 PolarHBondContact OD1-N 3.04Å; I909-K913 HydrophobicContact CG2-CB 4.48Å; I909-D914 WeakPolarHBondContact CB-OD2 3.02Å; I909-D914 HydrophobicContact CG2-CB 4.22Å; I909-D914 WeakPolarHBondContact CG2-OD2 3.46Å; I909-Q924 HydrophobicContact CG1-CG 4Å
910	A	92.3	Very high	93.9	Very high	26 Å²	26	51.2 Å²	51.2	22%	0.215	28%	0.275	C	S	.	.			trans	-122.2	141.9	-177.1	0	0	0	0	0	110.4	Y902 D912 K913 D914	Y902-A910 WeakPolarHBondContact O-CA 3.48Å; Y902-A910 WeakPolarHBondContact O-CB 3.47Å; A910-D912 PolarHBondContact O-N 2.75Å; A910-K913 WeakPolarHBondContact O-CA 3.1Å; A910-K913 PolarHBondContact O-N 3.01Å; A910-D914 PolarHBondContact O-N 3.22Å
911	D	90.2	Very high	93.9	Very high	49 Å²	49	50.3 Å²	50.3	26%	0.262	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-34.9	-168.2	-25	-55.8	0	0	0	114.8	Y902 D903 D904 K913 D914 R917	Y902-D911 VanDerWaalsContact C-CG 3.46Å; Y902-D911 VanDerWaalsContact C-OD1 3.3Å; Y902-D911 WeakPolarHBondContact CA-OD2 3.38Å; Y902-D911 PolarHBondContact O-N 3.1Å; D903-D911 WeakPolarHBondContact CA-OD1 3.22Å; D903-D911 PolarHBondContact N-OD1 2.94Å; D903-D911 VanDerWaalsContact N-OD1 3.09Å; D904-D911 PolarHBondContact N-OD1 3.28Å; D911-K913 PolarHBondContact O-N 3.49Å; D911-K913 VanDerWaalsContact O-N 3.11Å; D911-D914 PolarHBondContact O-N 3.23Å; D911-R917 HydrophobicContact CB-CG 3.9Å
912	D	87.9	Confident	93.9	Very high	127 Å²	127	53.1 Å²	53.1	68%	0.679	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-2.3	178.4	74.4	-53.2	0	0	0	113.8	A910	A910-D912 PolarHBondContact O-N 2.75Å
913	K	89	Confident	93.9	Very high	137 Å²	137	51.7 Å²	51.7	60%	0.596	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.2	-9	179	-69.2	170.7	-132.4	71.8	0	113.6	I909 A910 D911	I909-K913 HydrophobicContact CG2-CB 4.48Å; A910-K913 WeakPolarHBondContact O-CA 3.1Å; A910-K913 PolarHBondContact O-N 3.01Å; D911-K913 PolarHBondContact O-N 3.49Å; D911-K913 VanDerWaalsContact O-N 3.11Å
914	D	92.1	Very high	93.7	Very high	29 Å²	29	52 Å²	52	16%	0.155	29%	0.292	C	S	.	.			trans	-76.5	148	-174.2	-146.1	-72	0	0	0	113	I909 A910 D911 C916 R917 Q924	I909-D914 WeakPolarHBondContact CB-OD2 3.02Å; I909-D914 HydrophobicContact CG2-CB 4.22Å; I909-D914 WeakPolarHBondContact CG2-OD2 3.46Å; A910-D914 PolarHBondContact O-N 3.22Å; D911-D914 PolarHBondContact O-N 3.23Å; D914-C916 VanDerWaalsContact OD1-C 3.29Å; D914-C916 WeakPolarHBondContact OD1-CA 3.33Å; D914-C916 PolarHBondContact OD1-N 2.79Å; D914-R917 PolarHBondContact OD1-N 3.31Å; D914-Q924 PolarHBondContact OD1-NE2 2.58Å; D914-Q924 PolarHBondContact OD2-NE2 2.84Å
915	N	90	Very high	93.6	Very high	23 Å²	23	58.5 Å²	58.5	12%	0.123	32%	0.322	C	S	.	.	S	Bend	trans	-103.2	-8.8	173.4	73.5	7.3	0	0	0	114.3	N921 Q924 R932 G933	N915-N921 PolarHBondContact OD1-ND2 3.41Å; N915-Q924 VanDerWaalsContact N-OE1 3.12Å; N915-Q924 PolarHBondContact ND2-O 2.94Å; N915-Q924 PolarHBondContact OD1-OE1 3.4Å; N915-R932 CarbonylContact O-C 3.54Å; N915-R932 WeakPolarHBondContact O-CA 3.15Å; N915-G933 VanDerWaalsContact CG-CA 3.45Å; N915-G933 PolarHBondContact O-N 2.94Å; N915-G933 WeakPolarHBondContact OD1-CA 3.48Å
916	C	93.1	Very high	93.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	33%	0.329	C	S	.	.	S	Bend	trans	-144.5	43.5	174.6	-79.6	0	0	0	0	113	D914 L918 T919 G933 C936	D914-C916 VanDerWaalsContact OD1-C 3.29Å; D914-C916 WeakPolarHBondContact OD1-CA 3.33Å; D914-C916 PolarHBondContact OD1-N 2.79Å; C916-L918 PolarHBondContact O-N 2.94Å; C916-T919 PolarHBondContact O-N 3.01Å; C916-G933 VanDerWaalsContact SG-C 3.58Å; C916-G933 WeakPolarHBondContact SG-CA 3.4Å; C916-G933 PolarHBondContact SG-N 3.33Å; C916-G933 VanDerWaalsContact SG-N 3.39Å; C916-G933 PolarHBondContact SG-O 3.24Å; C916-G933 VanDerWaalsContact SG-O 3.35Å; C916-C936 WeakPolarHBondContact CA-SG 3.41Å; C916-C936 HydrophobicContact CB-CB 3.81Å; C916-C936 WeakPolarHBondContact CB-SG 3.03Å; C916-C936 WeakPolarHBondContact SG-CB 3.28Å; C916-C936 PolarHBondContact SG-N 2.82Å; C916-C936 CovalentContact SG-SG 2.04Å; C916-C936 PolarHBondContact SG-SG 2.86Å
917	R	94.1	Very high	92.8	Very high	50 Å²	50	59.5 Å²	59.5	19%	0.189	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-20.1	-35.3	178.8	-163.7	-175	91.3	-128.6	6.7	119.6	D904 D905 D911 D914 F940 E954	D904-R917 HydrophobicContact CB-CG 4.05Å; D904-R917 WeakPolarHBondContact CB-O 3.21Å; D904-R917 VanDerWaalsContact OD2-CD 3.24Å; D904-R917 WeakPolarHBondContact OD2-CD 3.41Å; D904-R917 WeakPolarHBondContact OD2-CG 3.37Å; D904-R917 IonicContact OD2-CZ 2.53Å; D904-R917 IonicContact OD2-NE 3.68Å; D904-R917 PolarHBondContact OD2-NE 2.04Å; D904-R917 IonicContact OD2-NH2 3.03Å; D905-R917 WeakPolarHBondContact CB-O 3.14Å; D911-R917 HydrophobicContact CB-CG 3.9Å; D914-R917 PolarHBondContact OD1-N 3.31Å; R917-F940 HydrophobicContact CB-CZ 4.05Å; R917-E954 IonicContact CZ-OE2 2.68Å; R917-E954 IonicContact NH1-OE2 3.93Å; R917-E954 PolarHBondContact NH1-OE2 3.18Å; R917-E954 IonicContact NH2-OE2 3.51Å
918	L	94.9	Very high	92	Very high	9 Å²	9	61.8 Å²	61.8	5%	0.047	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113	13.6	-174	-53.5	178.6	0	0	0	112.9	H891 D904 C916 F940 D941 E954	H891-L918 HydrophobicContact CB-CD2 4.26Å; D904-L918 HydrophobicContact CB-CD2 3.88Å; C916-L918 PolarHBondContact O-N 2.94Å; L918-F940 HydrophobicContact CD1-CD1 3.78Å; L918-F940 HydrophobicContact CD1-CE1 3.66Å; L918-F940 HydrophobicContact CG-CD1 4.39Å; L918-F940 HydrophobicContact CG-CE1 3.94Å; L918-D941 HydrophobicContact CB-CB 4.29Å; L918-D941 HydrophobicContact CD1-CB 3.72Å; L918-E954 HydrophobicContact CD1-CB 4.37Å
919	T	94.9	Very high	91.3	Very high	14 Å²	14	59.6 Å²	59.6	9%	0.086	33%	0.329	C	S	.	.	S	Bend	trans	-150.9	96.3	-170.3	-63.7	0	0	0	0	110.8	D905 C916 N921 A935 C936 F940 N942	D905-T919 PolarHBondContact OD2-N 2.94Å; C916-T919 PolarHBondContact O-N 3.01Å; T919-N921 PolarHBondContact O-N 3.2Å; T919-A935 HydrophobicContact CG2-CB 4.17Å; T919-C936 HydrophobicContact CG2-CB 4.24Å; T919-F940 PolarHBondContact OG1-O 2.73Å; T919-N942 HydrophobicContact CG2-CB 4.26Å; T919-N942 WeakPolarHBondContact OG1-CB 3.05Å
920	P	96.4	Very high	90.6	Very high	85 Å²	85	57.1 Å²	57.1	55%	0.552	32%	0.316	S	S	*	.			trans	-55.1	117	-164	-31.1	35.2	0	0	0	115.3	D905 D907	D905-P920 HydrophobicContact CB-CG 3.83Å; D905-P920 WeakPolarHBondContact O-CG 3.47Å; D905-P920 VanDerWaalsContact OD2-CA 3.24Å; D905-P920 WeakPolarHBondContact OD2-CA 3.22Å; D907-P920 HydrophobicContact CB-CB 3.94Å
921	N	95.4	Very high	90.1	Very high	16 Å²	16	57.3 Å²	57.3	9%	0.086	32%	0.32	C	S	.	.			trans	-142.8	67.4	-178.3	71.4	-29.5	0	0	0	114.6	D907 N915 T919 D923 Q924 A935	D907-N921 WeakPolarHBondContact OD2-CA 3.49Å; D907-N921 PolarHBondContact OD2-N 3.04Å; N915-N921 PolarHBondContact OD1-ND2 3.41Å; T919-N921 PolarHBondContact O-N 3.2Å; N921-D923 PolarHBondContact O-N 2.82Å; N921-Q924 WeakPolarHBondContact O-CA 3.41Å; N921-Q924 PolarHBondContact O-N 3.24Å; N921-Q924 PolarHBondContact OD1-NE2 3.47Å; N921-A935 HydrophobicContact CB-CB 3.84Å
922	P	95.3	Very high	90	Very high	80 Å²	80	55.2 Å²	55.2	52%	0.519	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-13	-165.3	-26.3	32.3	0	0	0	117.6	D907	D907-P922 HydrophobicContact CB-CG 3.76Å; D907-P922 WeakPolarHBondContact OD2-CA 3.37Å; D907-P922 VanDerWaalsContact OD2-CD 3.23Å; D907-P922 WeakPolarHBondContact OD2-CD 3.48Å; D907-P922 WeakPolarHBondContact OD2-CG 3.41Å
923	D	94.1	Very high	90.2	Very high	151 Å²	151	49.1 Å²	49.1	81%	0.807	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-8.9	173.5	-75.9	-58.7	0	0	0	112.6	N921 E925	N921-D923 PolarHBondContact O-N 2.82Å; D923-E925 VanDerWaalsContact C-N 3.34Å; D923-E925 HydrophobicContact CB-CG 4.32Å; D923-E925 PolarHBondContact O-N 3.34Å
924	Q	93	Very high	90.3	Very high	46 Å²	46	45.9 Å²	45.9	22%	0.215	27%	0.266	C	S	.	.			trans	50.9	45.3	176.4	-65.7	-86.8	-61.2	0	0	113.2	I909 D914 N915 N921 D926	I909-Q924 HydrophobicContact CG1-CG 4Å; D914-Q924 PolarHBondContact OD1-NE2 2.58Å; D914-Q924 PolarHBondContact OD2-NE2 2.84Å; N915-Q924 VanDerWaalsContact N-OE1 3.12Å; N915-Q924 PolarHBondContact ND2-O 2.94Å; N915-Q924 PolarHBondContact OD1-OE1 3.4Å; N921-Q924 WeakPolarHBondContact O-CA 3.41Å; N921-Q924 PolarHBondContact O-N 3.24Å; N921-Q924 PolarHBondContact OD1-NE2 3.47Å; Q924-D926 PolarHBondContact O-N 2.78Å
925	E	93.6	Very high	90.3	Very high	144 Å²	144	47.1 Å²	47.1	67%	0.673	28%	0.28	S	S	*	.			trans	-67.3	116.3	179.9	-62.8	-160.4	134.1	0	0	111.3	D923 G933 D934	D923-E925 VanDerWaalsContact C-N 3.34Å; D923-E925 HydrophobicContact CB-CG 4.32Å; D923-E925 PolarHBondContact O-N 3.34Å; E925-G933 CarbonylContact O-C 3.03Å; E925-G933 WeakPolarHBondContact O-CA 3.37Å; E925-D934 PolarHBondContact O-N 3.37Å
926	D	88.8	Confident	90.4	Very high	41 Å²	41	46.1 Å²	46.1	22%	0.219	28%	0.275	C	S	.	.			trans	-125.4	95.9	167.9	163.8	13.5	0	0	0	106.2	Q924 G929 D930 G931	Q924-D926 PolarHBondContact O-N 2.78Å; D926-G929 WeakPolarHBondContact OD1-CA 3.43Å; D926-G929 PolarHBondContact OD1-N 2.84Å; D926-G929 WeakPolarHBondContact OD2-CA 3.36Å; D926-D930 PolarHBondContact OD1-N 3.15Å; D926-D930 PolarHBondContact OD2-N 3.46Å; D926-G931 PolarHBondContact OD2-N 3.36Å
927	A	86.9	Confident	90.2	Very high	85 Å²	85	48 Å²	48	70%	0.702	28%	0.283	S	S	*	.	S	Bend	trans	-82.3	-20.2	-170.3	0	0	0	0	0	113.7	D934	A927-D934 WeakPolarHBondContact CB-OD2 3.47Å; A927-D934 PolarHBondContact N-OD1 2.84Å; A927-D934 PolarHBondContact N-OD2 3.41Å
928	D	81.6	Confident	89.9	Confident	74 Å²	74	49.8 Å²	49.8	40%	0.396	30%	0.296	S	S	.	.	S	Bend	trans	-108	-9.9	-177.3	82.6	41.1	0	0	0	114.9	K628	K628-D928 WeakPolarHBondContact CD-OD1 3.27Å; K628-D928 VanDerWaalsContact CE-OD1 3.25Å; K628-D928 WeakPolarHBondContact CE-OD1 3.43Å; K628-D928 IonicContact NZ-OD1 3.22Å; K628-D928 PolarHBondContact NZ-OD1 2.82Å; K628-D928 IonicContact NZ-OD2 3.1Å; K628-D928 PolarHBondContact NZ-OD2 2.78Å
929	G	78.5	Confident	89.8	Confident	10 Å²	10	50.9 Å²	50.9	10%	0.103	30%	0.302	C	S	.	.	S	Bend	trans	82.6	36.8	166.8	0	0	0	0	0	113.6	P627 D926	P627-G929 WeakPolarHBondContact CB-O 3.3Å; D926-G929 WeakPolarHBondContact OD1-CA 3.43Å; D926-G929 PolarHBondContact OD1-N 2.84Å; D926-G929 WeakPolarHBondContact OD2-CA 3.36Å
930	D	81.3	Confident	89.6	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.021	30%	0.304	C	S	.	.	S	Bend	trans	-95.6	-13.8	179.5	95.7	20.8	0	0	0	114.1	K628 R629 D926 R932	K628-D930 HydrophobicContact CB-CB 3.6Å; K628-D930 HydrophobicContact CD-CB 3.63Å; K628-D930 HydrophobicContact CG-CB 4.34Å; R629-D930 WeakPolarHBondContact CD-O 3.44Å; R629-D930 HydrophobicContact CG-CB 4.43Å; R629-D930 IonicContact CZ-OD1 2.58Å; R629-D930 IonicContact CZ-OD2 3.23Å; R629-D930 VanDerWaalsContact CZ-OD2 3.28Å; R629-D930 IonicContact NE-OD1 3.83Å; R629-D930 PolarHBondContact NE-OD1 3.21Å; R629-D930 VanDerWaalsContact NE-OD1 3.1Å; R629-D930 IonicContact NE-OD2 2.94Å; R629-D930 PolarHBondContact NE-OD2 2.85Å; R629-D930 IonicContact NH2-OD1 2.84Å; R629-D930 IonicContact NH2-OD2 2.79Å; R629-D930 PolarHBondContact NH2-OD2 2.72Å; D926-D930 PolarHBondContact OD1-N 3.15Å; D926-D930 PolarHBondContact OD2-N 3.46Å; D930-R932 WeakPolarHBondContact OD1-CB 3.11Å; D930-R932 PolarHBondContact OD1-N 2.99Å
931	G	81.8	Confident	89.5	Confident	29 Å²	29	47.5 Å²	47.5	30%	0.299	28%	0.278	S	S	.	.	S	Bend	trans	90.6	2.2	177.7	0	0	0	0	0	115.1	D926	D926-G931 PolarHBondContact OD2-N 3.36Å
932	R	88.1	Confident	89.4	Confident	5 Å²	5	51.7 Å²	51.7	2%	0.019	30%	0.3	C	S	.	.	S	Bend	trans	-101	147.4	158.9	-171.9	166.4	172.4	170.2	-6.8	108.8	F675 N915 D930 C936 D939 F940 D947	F675-R932 HydrophobicContact CB-CB 4.39Å; F675-R932 WeakPolarHBondContact O-CD 3.2Å; F675-R932 PolarHBondContact O-NH1 3.14Å; N915-R932 CarbonylContact O-C 3.54Å; N915-R932 WeakPolarHBondContact O-CA 3.15Å; D930-R932 WeakPolarHBondContact OD1-CB 3.11Å; D930-R932 PolarHBondContact OD1-N 2.99Å; R932-C936 PolarHBondContact NE-O 3.23Å; R932-C936 PolarHBondContact NH2-O 2.68Å; R932-D939 VanDerWaalsContact NH2-N 3.18Å; R932-D939 PolarHBondContact NH2-O 2.81Å; R932-F940 VanDerWaalsContact NH2-CA 3.3Å; R932-F940 VanDerWaalsContact NH2-N 3.17Å; R932-D947 IonicContact CZ-OD1 2.87Å; R932-D947 IonicContact CZ-OD2 3.36Å; R932-D947 IonicContact NH1-OD1 2.88Å; R932-D947 PolarHBondContact NH1-OD1 3.06Å; R932-D947 IonicContact NH1-OD2 3.7Å; R932-D947 PolarHBondContact NH1-OD2 3.17Å; R932-D947 IonicContact NH2-OD1 3.74Å; R932-D947 PolarHBondContact NH2-OD1 3.08Å; R932-D947 IonicContact NH2-OD2 2.95Å
933	G	90.7	Very high	89.3	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	28%	0.284	C	S	.	.			trans	-74.4	152.8	178	0	0	0	0	0	112.5	N915 C916 E925 A935 C936	N915-G933 VanDerWaalsContact CG-CA 3.45Å; N915-G933 PolarHBondContact O-N 2.94Å; N915-G933 WeakPolarHBondContact OD1-CA 3.48Å; C916-G933 VanDerWaalsContact SG-C 3.58Å; C916-G933 WeakPolarHBondContact SG-CA 3.4Å; C916-G933 PolarHBondContact SG-N 3.33Å; C916-G933 VanDerWaalsContact SG-N 3.39Å; C916-G933 PolarHBondContact SG-O 3.24Å; C916-G933 VanDerWaalsContact SG-O 3.35Å; E925-G933 CarbonylContact O-C 3.03Å; E925-G933 WeakPolarHBondContact O-CA 3.37Å; G933-A935 PolarHBondContact O-N 3.42Å; G933-C936 PolarHBondContact O-N 3.34Å
934	D	91.3	Very high	89.3	Confident	68 Å²	68	47 Å²	47	36%	0.364	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-61.7	-22.3	176.4	-72.1	-2.5	0	0	0	112.1	E925 A927	E925-D934 PolarHBondContact O-N 3.37Å; A927-D934 WeakPolarHBondContact CB-OD2 3.47Å; A927-D934 PolarHBondContact N-OD1 2.84Å; A927-D934 PolarHBondContact N-OD2 3.41Å
935	A	92.8	Very high	89.3	Confident	56 Å²	56	47.5 Å²	47.5	46%	0.463	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-68.5	-41.6	-177.5	0	0	0	0	0	113.3	T919 N921 G933	T919-A935 HydrophobicContact CG2-CB 4.17Å; N921-A935 HydrophobicContact CB-CB 3.84Å; G933-A935 PolarHBondContact O-N 3.42Å
936	C	92.1	Very high	89.2	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.014	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-110.6	31.1	-176.5	68.2	0	0	0	0	111.5	C916 T919 R932 G933 D938 D939	C916-C936 WeakPolarHBondContact CA-SG 3.41Å; C916-C936 HydrophobicContact CB-CB 3.81Å; C916-C936 WeakPolarHBondContact CB-SG 3.03Å; C916-C936 WeakPolarHBondContact SG-CB 3.28Å; C916-C936 PolarHBondContact SG-N 2.82Å; C916-C936 CovalentContact SG-SG 2.04Å; C916-C936 PolarHBondContact SG-SG 2.86Å; T919-C936 HydrophobicContact CG2-CB 4.24Å; R932-C936 PolarHBondContact NE-O 3.23Å; R932-C936 PolarHBondContact NH2-O 2.68Å; G933-C936 PolarHBondContact O-N 3.34Å; C936-D938 PolarHBondContact O-N 2.73Å; C936-D939 CarbonylContact C-O 3.57Å; C936-D939 VanDerWaalsContact CA-O 3.24Å; C936-D939 WeakPolarHBondContact CA-O 3.49Å; C936-D939 WeakPolarHBondContact CB-O 3.4Å; C936-D939 CarbonylContact O-C 3.53Å
937	K	88.4	Confident	89.2	Confident	39 Å²	39	41.7 Å²	41.7	17%	0.17	26%	0.259	C	S	.	.	S	Bend	trans	-59	-38.4	-156.5	174.2	57.6	-154.8	62.2	0	116.5	D677	D677-K937 IonicContact OD2-NZ 3.18Å; D677-K937 PolarHBondContact OD2-NZ 2.94Å
938	D	88.1	Confident	89.2	Confident	88 Å²	88	40.8 Å²	40.8	47%	0.471	24%	0.241	S	C	.	.	S	Bend	trans	-128.1	4.1	-175.2	-59.1	-33.4	0	0	0	113.2	C936 P946 D947	C936-D938 PolarHBondContact O-N 2.73Å; D938-P946 WeakPolarHBondContact O-CA 3.34Å; D938-D947 PolarHBondContact O-N 3.35Å
939	D	92.1	Very high	89.4	Confident	31 Å²	31	43.4 Å²	43.4	17%	0.166	26%	0.255	C	S	.	.			trans	-151	117.6	-175.1	168.3	-9.5	0	0	0	104.8	R932 C936 N942 D943 S944	R932-D939 VanDerWaalsContact NH2-N 3.18Å; R932-D939 PolarHBondContact NH2-O 2.81Å; C936-D939 CarbonylContact C-O 3.57Å; C936-D939 VanDerWaalsContact CA-O 3.24Å; C936-D939 WeakPolarHBondContact CA-O 3.49Å; C936-D939 WeakPolarHBondContact CB-O 3.4Å; C936-D939 CarbonylContact O-C 3.53Å; D939-N942 WeakPolarHBondContact OD1-CA 3.05Å; D939-N942 PolarHBondContact OD1-N 2.85Å; D939-D943 PolarHBondContact OD1-N 2.83Å; D939-S944 WeakPolarHBondContact OD2-CA 3.25Å; D939-S944 PolarHBondContact OD2-N 2.98Å
940	F	92.1	Very high	90.1	Very high	28 Å²	28	43.1 Å²	43.1	12%	0.123	25%	0.251	C	S	.	.	S	Bend	trans	-94.7	-35.6	-161.6	-173.7	-106.6	0	0	0	114.3	R917 L918 T919 R932 P953 E954	R917-F940 HydrophobicContact CB-CZ 4.05Å; L918-F940 HydrophobicContact CD1-CD1 3.78Å; L918-F940 HydrophobicContact CD1-CE1 3.66Å; L918-F940 HydrophobicContact CG-CD1 4.39Å; L918-F940 HydrophobicContact CG-CE1 3.94Å; T919-F940 PolarHBondContact OG1-O 2.73Å; R932-F940 VanDerWaalsContact NH2-CA 3.3Å; R932-F940 VanDerWaalsContact NH2-N 3.17Å; F940-P953 WeakPolarHBondContact CB-O 3.4Å; F940-P953 WeakPolarHBondContact CD1-O 3.48Å; F940-E954 HydrophobicContact CD1-CB 4.33Å; F940-E954 HydrophobicContact CD1-CG 3.83Å; F940-E954 HydrophobicContact CE1-CB 4.45Å; F940-E954 HydrophobicContact CE1-CG 3.94Å
941	D	93	Very high	90.6	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	26%	0.255	C	S	.	.	S	Bend	trans	-105.4	1.2	179.5	49.9	43.5	0	0	0	112.6	L918 P953 E954 N955 N956	L918-D941 HydrophobicContact CB-CB 4.29Å; L918-D941 HydrophobicContact CD1-CB 3.72Å; D941-P953 VanDerWaalsContact OD2-C 3.23Å; D941-P953 WeakPolarHBondContact OD2-CA 3.14Å; D941-E954 PolarHBondContact OD2-N 3.44Å; D941-E954 VanDerWaalsContact OD2-N 3.12Å; D941-N955 PolarHBondContact OD2-N 2.98Å; D941-N956 HydrophobicContact CB-CB 3.97Å; D941-N956 WeakPolarHBondContact O-CB 3.05Å
942	N	94.1	Very high	91.2	Very high	103 Å²	103	42.6 Å²	42.6	55%	0.551	24%	0.242	S	C	*	.			trans	65.5	38.6	169.2	172.7	81.2	0	0	0	112.6	T919 D939	T919-N942 HydrophobicContact CG2-CB 4.26Å; T919-N942 WeakPolarHBondContact OG1-CB 3.05Å; D939-N942 WeakPolarHBondContact OD1-CA 3.05Å; D939-N942 PolarHBondContact OD1-N 2.85Å
943	D	94	Very high	91.4	Very high	35 Å²	35	43.6 Å²	43.6	19%	0.187	25%	0.249	C	C	.	.	S	Bend	trans	-84.6	-9.1	175.4	104	-31.4	0	0	0	113.8	D939 I945 N956 S959	D939-D943 PolarHBondContact OD1-N 2.83Å; D943-I945 WeakPolarHBondContact OD1-CA 3.35Å; D943-I945 WeakPolarHBondContact OD1-CB 3.03Å; D943-I945 WeakPolarHBondContact OD1-CG1 3.05Å; D943-I945 PolarHBondContact OD1-N 2.75Å; D943-N956 HydrophobicContact CB-CB 3.81Å; D943-S959 WeakPolarHBondContact OD2-CB 3.45Å; D943-S959 PolarHBondContact OD2-OG 3.47Å
944	S	94.2	Very high	91.5	Very high	97 Å²	97	46.8 Å²	46.8	68%	0.678	26%	0.264	S	S	*	.	S	Bend	trans	85.2	7.8	-174.5	-46.3	0	0	0	0	117	D939	D939-S944 WeakPolarHBondContact OD2-CA 3.25Å; D939-S944 PolarHBondContact OD2-N 2.98Å
945	I	92.6	Very high	91.6	Very high	58 Å²	58	43.9 Å²	43.9	30%	0.297	25%	0.248	S	C	.	.	S	Bend	trans	-108.6	123.4	174	-54.5	-58.1	0	0	0	109.8	D943 L949 D950	D943-I945 WeakPolarHBondContact OD1-CA 3.35Å; D943-I945 WeakPolarHBondContact OD1-CB 3.03Å; D943-I945 WeakPolarHBondContact OD1-CG1 3.05Å; D943-I945 PolarHBondContact OD1-N 2.75Å; I945-L949 HydrophobicContact CG2-CB 4.18Å; I945-D950 HydrophobicContact CG2-CB 4.1Å
946	P	90.9	Very high	91.7	Very high	57 Å²	57	43.8 Å²	43.8	37%	0.37	24%	0.24	S	C	.	.			trans	-68.6	143.8	-177.3	-22.7	33.9	0	0	0	113.9	D938 I948 L949 D950	D938-P946 WeakPolarHBondContact O-CA 3.34Å; P946-I948 PolarHBondContact O-N 3.12Å; P946-L949 PolarHBondContact O-N 3.39Å; P946-D950 PolarHBondContact O-N 2.89Å
947	D	88.1	Confident	91.8	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.032	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-32	-36.6	178.9	-86.7	46.8	0	0	0	117.2	S676 R932 D938	S676-D947 WeakPolarHBondContact CA-OD2 3.38Å; S676-D947 WeakPolarHBondContact CB-OD2 3.36Å; S676-D947 WeakPolarHBondContact OG-CB 3.08Å; S676-D947 PolarHBondContact OG-OD2 3.27Å; R932-D947 IonicContact CZ-OD1 2.87Å; R932-D947 IonicContact CZ-OD2 3.36Å; R932-D947 IonicContact NH1-OD1 2.88Å; R932-D947 PolarHBondContact NH1-OD1 3.06Å; R932-D947 IonicContact NH1-OD2 3.7Å; R932-D947 PolarHBondContact NH1-OD2 3.17Å; R932-D947 IonicContact NH2-OD1 3.74Å; R932-D947 PolarHBondContact NH2-OD1 3.08Å; R932-D947 IonicContact NH2-OD2 2.95Å; D938-D947 PolarHBondContact O-N 3.35Å
948	I	86.6	Confident	92.2	Very high	66 Å²	66	45.9 Å²	45.9	34%	0.338	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-28	-173.7	-176	169.1	0	0	0	113.4	I672 P678 K681 P946	I672-I948 HydrophobicContact CD1-CB 4.49Å; I672-I948 HydrophobicContact CD1-CG1 4.47Å; P678-I948 HydrophobicContact CG-CD1 3.74Å; K681-I948 HydrophobicContact CB-CD1 4.34Å; K681-I948 HydrophobicContact CB-CG1 4.22Å; K681-I948 HydrophobicContact CD-CG1 4.46Å; P946-I948 PolarHBondContact O-N 3.12Å
949	L	87.6	Confident	92.5	Very high	129 Å²	129	43 Å²	43	68%	0.675	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-26.1	177.7	-60.1	-175.1	0	0	0	112	I945 P946	I945-L949 HydrophobicContact CG2-CB 4.18Å; P946-L949 PolarHBondContact O-N 3.39Å
950	D	92.1	Very high	92.6	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	26%	0.262	C	S	.	.			trans	-66.2	148.7	176.6	-168.3	-4.5	0	0	0	112.5	I945 P946 C952 P953 S959	I945-D950 HydrophobicContact CG2-CB 4.1Å; P946-D950 PolarHBondContact O-N 2.89Å; D950-C952 PolarHBondContact OD1-N 2.74Å; D950-P953 HydrophobicContact CB-CB 4.14Å; D950-P953 WeakPolarHBondContact OD2-CA 3.42Å; D950-P953 VanDerWaalsContact OD2-CB 3.27Å; D950-P953 WeakPolarHBondContact OD2-CB 3.09Å; D950-P953 VanDerWaalsContact OD2-N 3.14Å; D950-S959 WeakPolarHBondContact OD1-CA 3.45Å
951	V	93	Very high	92.8	Very high	20 Å²	20	44.5 Å²	44.5	12%	0.121	26%	0.258	C	S	.	.	S	Bend	trans	-94.5	-25.4	172.6	-59.9	0	0	0	0	113.1	I958 S959 Y1171 E1172 C1173	V951-I958 HydrophobicContact CG2-CG2 4.04Å; V951-I958 VanDerWaalsContact CG2-O 3.29Å; V951-I958 WeakPolarHBondContact CG2-O 3.24Å; V951-S959 PolarHBondContact N-O 3.07Å; V951-Y1171 VanDerWaalsContact CB-O 3.3Å; V951-Y1171 WeakPolarHBondContact CB-O 3.3Å; V951-Y1171 WeakPolarHBondContact CG1-O 3.36Å; V951-Y1171 HydrophobicContact CG2-CD2 4.22Å; V951-Y1171 HydrophobicContact CG2-CE2 4.23Å; V951-E1172 CarbonylContact O-C 3.15Å; V951-E1172 VanDerWaalsContact O-CA 3.23Å; V951-E1172 WeakPolarHBondContact O-CA 3.04Å; V951-C1173 PolarHBondContact O-N 2.03Å
952	C	93.6	Very high	93	Very high	1 Å²	1	46 Å²	46	1%	0.007	27%	0.267	C	S	.	.			trans	-139.7	60.9	-177.4	-65.2	0	0	0	0	113.7	D950 E954 N955 I958 C1173	D950-C952 PolarHBondContact OD1-N 2.74Å; C952-E954 PolarHBondContact O-N 3.5Å; C952-N955 HydrophobicContact CB-CB 4.36Å; C952-N955 PolarHBondContact O-N 3.06Å; C952-I958 HydrophobicContact CB-CB 4.18Å; C952-I958 HydrophobicContact CB-CG2 4.4Å; C952-I958 WeakPolarHBondContact CB-O 3.45Å; C952-C1173 HydrophobicContact CB-CB 3.56Å; C952-C1173 WeakPolarHBondContact CB-SG 3.28Å; C952-C1173 WeakPolarHBondContact SG-CB 3.48Å; C952-C1173 PolarHBondContact SG-N 2.83Å; C952-C1173 VanDerWaalsContact SG-N 3.35Å; C952-C1173 CovalentContact SG-SG 2.03Å; C952-C1173 PolarHBondContact SG-SG 3.03Å
953	P	92.1	Very high	93.1	Very high	27 Å²	27	41.2 Å²	41.2	18%	0.175	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73	40.4	-174.9	32.5	-39.4	0	0	0	115.8	F940 D941 D950	F940-P953 WeakPolarHBondContact CB-O 3.4Å; F940-P953 WeakPolarHBondContact CD1-O 3.48Å; D941-P953 VanDerWaalsContact OD2-C 3.23Å; D941-P953 WeakPolarHBondContact OD2-CA 3.14Å; D950-P953 HydrophobicContact CB-CB 4.14Å; D950-P953 WeakPolarHBondContact OD2-CA 3.42Å; D950-P953 VanDerWaalsContact OD2-CB 3.27Å; D950-P953 WeakPolarHBondContact OD2-CB 3.09Å; D950-P953 VanDerWaalsContact OD2-N 3.14Å
954	E	91.9	Very high	92.9	Very high	66 Å²	66	46 Å²	46	31%	0.308	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.7	31.2	162.6	-59.7	-176	-117.4	0	0	109.3	R917 L918 F940 D941 C952 K1176	R917-E954 IonicContact CZ-OE2 2.68Å; R917-E954 IonicContact NH1-OE2 3.93Å; R917-E954 PolarHBondContact NH1-OE2 3.18Å; R917-E954 IonicContact NH2-OE2 3.51Å; L918-E954 HydrophobicContact CD1-CB 4.37Å; F940-E954 HydrophobicContact CD1-CB 4.33Å; F940-E954 HydrophobicContact CD1-CG 3.83Å; F940-E954 HydrophobicContact CE1-CB 4.45Å; F940-E954 HydrophobicContact CE1-CG 3.94Å; D941-E954 PolarHBondContact OD2-N 3.44Å; D941-E954 VanDerWaalsContact OD2-N 3.12Å; C952-E954 PolarHBondContact O-N 3.5Å; E954-K1176 IonicContact OE1-NZ 2.76Å; E954-K1176 PolarHBondContact OE1-NZ 2.63Å; E954-K1176 IonicContact OE2-NZ 3.79Å; E954-K1176 PolarHBondContact OE2-NZ 3.46Å
955	N	94.6	Very high	92.7	Very high	8 Å²	8	49.2 Å²	49.2	4%	0.043	26%	0.258	C	S	.	.			trans	-164.1	97.6	-177.1	-179.2	10.2	0	0	0	113.2	N887 D941 C952 A957 I958	N887-N955 PolarHBondContact ND2-ND2 3.43Å; D941-N955 PolarHBondContact OD2-N 2.98Å; C952-N955 HydrophobicContact CB-CB 4.36Å; C952-N955 PolarHBondContact O-N 3.06Å; N955-A957 PolarHBondContact O-N 3.38Å; N955-A957 PolarHBondContact OD1-N 2.81Å; N955-I958 WeakPolarHBondContact ND2-CD1 3.42Å; N955-I958 PolarHBondContact O-N 2.81Å
956	N	94.9	Very high	92.8	Very high	54 Å²	54	48.8 Å²	48.8	29%	0.289	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	5	-175.7	67.3	30.8	0	0	0	117.4	H891 D941 D943	H891-N956 PolarHBondContact CD2-ND2 3.37Å; H891-N956 PolarHBondContact NE2-N 2.97Å; D941-N956 HydrophobicContact CB-CB 3.97Å; D941-N956 WeakPolarHBondContact O-CB 3.05Å; D943-N956 HydrophobicContact CB-CB 3.81Å
957	A	94.9	Very high	93	Very high	74 Å²	74	47.1 Å²	47.1	61%	0.612	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-15.8	174.5	0	0	0	0	0	114.1	N955	N955-A957 PolarHBondContact O-N 3.38Å; N955-A957 PolarHBondContact OD1-N 2.81Å
958	I	96	Very high	93.3	Very high	10 Å²	10	49.7 Å²	49.7	5%	0.051	25%	0.254	C	S	.	.			trans	-137	76.9	-165.9	-51	176	0	0	0	112.5	V951 C952 N955 D1007 F1009 Y1171	V951-I958 HydrophobicContact CG2-CG2 4.04Å; V951-I958 VanDerWaalsContact CG2-O 3.29Å; V951-I958 WeakPolarHBondContact CG2-O 3.24Å; C952-I958 HydrophobicContact CB-CB 4.18Å; C952-I958 HydrophobicContact CB-CG2 4.4Å; C952-I958 WeakPolarHBondContact CB-O 3.45Å; N955-I958 WeakPolarHBondContact ND2-CD1 3.42Å; N955-I958 PolarHBondContact O-N 2.81Å; I958-D1007 HydrophobicContact CD1-CB 4.09Å; I958-D1007 HydrophobicContact CG1-CB 4.49Å; I958-D1007 HydrophobicContact CG2-CB 4.46Å; I958-D1007 WeakPolarHBondContact CG2-OD2 3.12Å; I958-F1009 HydrophobicContact CD1-CE1 4.38Å; I958-F1009 HydrophobicContact CG2-CE1 4.4Å; I958-Y1171 HydrophobicContact CG2-CE2 3.86Å
959	S	93.9	Very high	93.7	Very high	28 Å²	28	46.6 Å²	46.6	20%	0.196	24%	0.238	C	C	.	.			trans	-87.2	-19.4	-178.5	8.8	0	0	0	0	116.4	D943 D950 V951	D943-S959 WeakPolarHBondContact OD2-CB 3.45Å; D943-S959 PolarHBondContact OD2-OG 3.47Å; D950-S959 WeakPolarHBondContact OD1-CA 3.45Å; V951-S959 PolarHBondContact N-O 3.07Å
960	I	94.7	Very high	94	Very high	84 Å²	84	43.1 Å²	43.1	43%	0.431	22%	0.218	S	C	.	.	S	Bend	trans	-142.6	157.7	-174.5	58.1	168.3	0	0	0	111.8	D962 Y1171	I960-D962 HydrophobicContact CD1-CB 4.36Å; I960-D962 HydrophobicContact CG1-CB 4.36Å; I960-D962 PolarHBondContact O-N 3.41Å; I960-Y1171 PolarHBondContact O-OH 3.25Å
961	T	96.3	Very high	94.1	Very high	6 Å²	6	43 Å²	43	4%	0.037	22%	0.217	C	C	.	.			trans	-75.1	120.6	165.1	-63.5	0	0	0	0	110.9	F963 K990 L1169 Y1171	T961-F963 HydrophobicContact CG2-CD2 4.21Å; T961-F963 HydrophobicContact CG2-CE2 4.02Å; T961-K990 HydrophobicContact CG2-CG 4.03Å; T961-K990 VanDerWaalsContact O-CG 3.26Å; T961-K990 WeakPolarHBondContact O-CG 2.99Å; T961-L1169 HydrophobicContact CG2-CB 4.13Å; T961-L1169 VanDerWaalsContact CG2-O 3.29Å; T961-L1169 WeakPolarHBondContact CG2-O 3.23Å; T961-Y1171 HydrophobicContact CG2-CD1 3.74Å; T961-Y1171 HydrophobicContact CG2-CE1 3.57Å; T961-Y1171 HydrophobicContact CG2-CG 4.35Å; T961-Y1171 PolarHBondContact OG1-N 3.44Å
962	D	96.3	Very high	94.1	Very high	33 Å²	33	42.3 Å²	42.3	18%	0.176	21%	0.213	C	C	.	.			trans	-148.5	108.2	-176.3	-173.5	5.2	0	0	0	113	I960 R964 Y1171	I960-D962 HydrophobicContact CD1-CB 4.36Å; I960-D962 HydrophobicContact CG1-CB 4.36Å; I960-D962 PolarHBondContact O-N 3.41Å; D962-R964 VanDerWaalsContact CG-NE 3.32Å; D962-R964 WeakPolarHBondContact OD1-CB 3.18Å; D962-R964 WeakPolarHBondContact OD1-CG 3.34Å; D962-R964 IonicContact OD1-CZ 2.65Å; D962-R964 PolarHBondContact OD1-N 2.73Å; D962-R964 IonicContact OD1-NE 2.64Å; D962-R964 PolarHBondContact OD1-NE 2.76Å; D962-R964 IonicContact OD2-CZ 3.23Å; D962-R964 IonicContact OD2-NE 2.68Å; D962-R964 PolarHBondContact OD2-NE 2.95Å; D962-R964 IonicContact OD2-NH2 2.66Å; D962-R964 PolarHBondContact OD2-NH2 2.84Å; D962-Y1171 PolarHBondContact N-OH 3.17Å
963	F	96.3	Very high	93.6	Very high	3 Å²	3	45.1 Å²	45.1	1%	0.013	23%	0.232	C	C	.	.			trans	-106.5	32.3	168.8	-64.6	-91.1	0	0	0	112.5	T961 F966 G989 L992 F1014 L1154 L1169 Y1171	T961-F963 HydrophobicContact CG2-CD2 4.21Å; T961-F963 HydrophobicContact CG2-CE2 4.02Å; F963-F966 WeakPolarHBondContact O-CD1 3.4Å; F963-G989 WeakPolarHBondContact CB-O 3.32Å; F963-G989 PolarHBondContact N-O 3.05Å; F963-L992 HydrophobicContact CB-CD1 3.5Å; F963-L992 HydrophobicContact CG-CD1 4.42Å; F963-F1014 HydrophobicContact CE2-CE2 4.07Å; F963-F1014 HydrophobicContact CE2-CZ 4.32Å; F963-F1014 HydrophobicContact CZ-CE2 4.12Å; F963-F1014 HydrophobicContact CZ-CZ 4.09Å; F963-L1154 HydrophobicContact CE1-CB 4.24Å; F963-L1154 HydrophobicContact CZ-CB 3.99Å; F963-L1169 HydrophobicContact CD2-CB 4.45Å; F963-L1169 HydrophobicContact CD2-CD1 3.73Å; F963-L1169 HydrophobicContact CE2-CB 4.34Å; F963-L1169 HydrophobicContact CE2-CD1 4.1Å; F963-L1169 HydrophobicContact CG-CD1 4.47Å; F963-Y1171 HydrophobicContact CD2-CE1 4.29Å; F963-Y1171 AromaticContact CE2-CD1 3.87Å; F963-Y1171 HydrophobicContact CE2-CD1 3.87Å; F963-Y1171 AromaticContact CE2-CE1 3.54Å; F963-Y1171 HydrophobicContact CE2-CE1 3.54Å; F963-Y1171 AromaticContact CZ-CD1 4Å; F963-Y1171 HydrophobicContact CZ-CD1 4Å; F963-Y1171 AromaticContact CZ-CE1 3.73Å; F963-Y1171 HydrophobicContact CZ-CE1 3.73Å
964	R	90.6	Very high	92.8	Very high	134 Å²	134	52 Å²	52	51%	0.506	26%	0.259	S	S	.	.	S	Bend	trans	-66	-40.4	169.9	-73.5	175.7	-68.1	172.9	-1.2	112.1	D962 V985 Q988	D962-R964 VanDerWaalsContact CG-NE 3.32Å; D962-R964 WeakPolarHBondContact OD1-CB 3.18Å; D962-R964 WeakPolarHBondContact OD1-CG 3.34Å; D962-R964 IonicContact OD1-CZ 2.65Å; D962-R964 PolarHBondContact OD1-N 2.73Å; D962-R964 IonicContact OD1-NE 2.64Å; D962-R964 PolarHBondContact OD1-NE 2.76Å; D962-R964 IonicContact OD2-CZ 3.23Å; D962-R964 IonicContact OD2-NE 2.68Å; D962-R964 PolarHBondContact OD2-NE 2.95Å; D962-R964 IonicContact OD2-NH2 2.66Å; D962-R964 PolarHBondContact OD2-NH2 2.84Å; R964-V985 HydrophobicContact CG-CG1 4.09Å; R964-Q988 WeakPolarHBondContact CD-O 3.37Å; R964-Q988 PolarHBondContact NE-O 3.41Å
965	K	90.8	Very high	91.4	Very high	166 Å²	166	49.6 Å²	49.6	72%	0.722	25%	0.252	S	S	*	.	S	Bend	trans	-101.1	123.9	171.5	-65.5	-170.1	176.1	-168.8	0	108.5	F1006	K965-F1006 HydrophobicContact CB-CD2 3.83Å; K965-F1006 HydrophobicContact CB-CE2 3.93Å; K965-F1006 WeakPolarHBondContact O-CD2 3.48Å
966	F	94.6	Very high	89.8	Confident	48 Å²	48	53.6 Å²	53.6	21%	0.211	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	145.3	177.9	56.5	-85.5	0	0	0	111.8	F963 M968 W983 V985 L992 A1003 V1004	F963-F966 WeakPolarHBondContact O-CD1 3.4Å; F966-M968 HydrophobicContact CD2-CG 4.04Å; F966-M968 HydrophobicContact CD2-SD 4.21Å; F966-M968 HydrophobicContact CE2-CG 3.78Å; F966-M968 HydrophobicContact CE2-SD 3.8Å; F966-W983 HydrophobicContact CE2-CB 4.26Å; F966-W983 HydrophobicContact CE2-CG 4.26Å; F966-W983 HydrophobicContact CZ-CB 3.95Å; F966-W983 HydrophobicContact CZ-CG 4.43Å; F966-V985 HydrophobicContact CE1-CG2 3.75Å; F966-L992 HydrophobicContact CD1-CD2 4.29Å; F966-L992 HydrophobicContact CE1-CD2 4.14Å; F966-L992 HydrophobicContact CZ-CD2 4.46Å; F966-A1003 HydrophobicContact CB-CB 4.35Å; F966-A1003 HydrophobicContact CD2-CB 3.47Å; F966-A1003 VanDerWaalsContact CD2-CB 3.47Å; F966-A1003 HydrophobicContact CE2-CB 3.95Å; F966-A1003 HydrophobicContact CG-CB 4.03Å; F966-V1004 CarbonylContact C-O 3.55Å; F966-V1004 WeakPolarHBondContact CA-O 3.48Å; F966-V1004 WeakPolarHBondContact CB-O 3.03Å
967	Q	95.1	Very high	88.2	Confident	22 Å²	22	54.5 Å²	54.5	10%	0.103	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	131.7	170.8	-172.4	-174.6	7	0	0	109.7	N855 L857 V969 V1004 F1006	N855-Q967 PolarHBondContact O-NE2 2.04Å; L857-Q967 HydrophobicContact CD2-CG 4.28Å; Q967-V969 HydrophobicContact CG-CG2 4.08Å; Q967-V1004 HydrophobicContact CB-CB 4.44Å; Q967-V1004 PolarHBondContact N-O 2.92Å; Q967-V1004 PolarHBondContact O-N 2.94Å; Q967-F1006 HydrophobicContact CB-CE1 4.45Å; Q967-F1006 HydrophobicContact CB-CZ 4.23Å
968	M	93.9	Very high	86.8	Confident	60 Å²	60	57.7 Å²	57.7	30%	0.296	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	97	177.9	-86.4	-67.9	-76.6	0	0	111.7	F966 H970 P981 W983	F966-M968 HydrophobicContact CD2-CG 4.04Å; F966-M968 HydrophobicContact CD2-SD 4.21Å; F966-M968 HydrophobicContact CE2-CG 3.78Å; F966-M968 HydrophobicContact CE2-SD 3.8Å; M968-H970 PolarHBondContact O-CE1 2.83Å; M968-H970 PolarHBondContact O-ND1 3.24Å; M968-P981 HydrophobicContact CE-CB 4.18Å; M968-P981 HydrophobicContact CE-CG 4.27Å; M968-P981 WeakPolarHBondContact CE-O 3.4Å; M968-W983 PolarHBondContact SD-NE1 3.3Å
969	V	95.7	Very high	86.1	Confident	1 Å²	1	61.1 Å²	61.1	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	114	-174.1	-175.8	0	0	0	0	110.3	N855 Q967 L971 G1001 I1002 V1004 Y1035	N855-V969 HydrophobicContact CB-CG1 4.06Å; N855-V969 HydrophobicContact CB-CG2 4.41Å; Q967-V969 HydrophobicContact CG-CG2 4.08Å; V969-L971 HydrophobicContact CG1-CD2 4.04Å; V969-G1001 CarbonylContact O-C 3.58Å; V969-G1001 WeakPolarHBondContact O-CA 3.43Å; V969-I1002 HydrophobicContact CB-CB 4.11Å; V969-I1002 HydrophobicContact CB-CD1 4.26Å; V969-I1002 HydrophobicContact CB-CG1 4.26Å; V969-I1002 HydrophobicContact CG1-CD1 4.18Å; V969-I1002 PolarHBondContact N-O 3.47Å; V969-I1002 PolarHBondContact O-N 2.94Å; V969-V1004 HydrophobicContact CG2-CG2 3.78Å; V969-Y1035 HydrophobicContact CG1-CE2 4.25Å; V969-Y1035 WeakPolarHBondContact CG1-OH 3.13Å; V969-Y1035 HydrophobicContact CG2-CE2 4.19Å; V969-Y1035 WeakPolarHBondContact CG2-OH 3.38Å
970	H	93.4	Very high	85.7	Confident	57 Å²	57	63.7 Å²	63.7	26%	0.264	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	111.5	-175.6	-61.4	78.9	0	0	0	110.4	M968 P973 D980 T1078	M968-H970 PolarHBondContact O-CE1 2.83Å; M968-H970 PolarHBondContact O-ND1 3.24Å; H970-P973 HydrophobicContact CB-CB 4.3Å; H970-P973 WeakPolarHBondContact O-CD 3.18Å; H970-D980 IonicContact CD2-OD1 3.11Å; H970-D980 PolarHBondContact CD2-OD1 2.88Å; H970-D980 IonicContact NE2-OD1 2.75Å; H970-T1078 WeakPolarHBondContact O-CG2 3.07Å
971	L	93.8	Very high	85.6	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	30%	0.298	C	S	.	.	S	Bend	trans	-88.6	-13.4	-169.4	-60.2	171.3	0	0	0	114.3	V969 P1000 I1002 F1041 T1078 G1079 L1082 L1086 F1157	V969-L971 HydrophobicContact CG1-CD2 4.04Å; L971-P1000 HydrophobicContact CB-CB 4.06Å; L971-P1000 HydrophobicContact CB-CG 4.1Å; L971-P1000 WeakPolarHBondContact CB-O 3.05Å; L971-P1000 HydrophobicContact CD1-CB 4.39Å; L971-P1000 PolarHBondContact N-O 3.01Å; L971-I1002 HydrophobicContact CD1-CD1 4.04Å; L971-I1002 HydrophobicContact CD1-CG1 3.76Å; L971-I1002 HydrophobicContact CD2-CD1 4.07Å; L971-I1002 HydrophobicContact CD2-CG1 4.43Å; L971-I1002 HydrophobicContact CG-CD1 4.37Å; L971-I1002 HydrophobicContact CG-CG1 4.19Å; L971-F1041 HydrophobicContact CD1-CZ 4.25Å; L971-F1041 HydrophobicContact CD2-CE1 4.24Å; L971-F1041 HydrophobicContact CD2-CZ 4.24Å; L971-T1078 HydrophobicContact CD2-CG2 4.49Å; L971-G1079 PolarHBondContact O-N 3.03Å; L971-L1082 HydrophobicContact CD2-CD2 4.25Å; L971-L1086 HydrophobicContact CD1-CD1 3.82Å; L971-F1157 HydrophobicContact CD1-CD2 4.3Å; L971-F1157 HydrophobicContact CD1-CE2 3.73Å
972	D	91.7	Very high	85.3	Confident	7 Å²	7	64 Å²	64	4%	0.037	32%	0.318	C	S	.	.			trans	-139.8	74.3	163.9	-172.1	27.2	0	0	0	112.2	K974 G975 P1000 G1079 E1080 R1083	D972-K974 PolarHBondContact O-N 2.03Å; D972-G975 PolarHBondContact O-N 2.86Å; D972-G975 VanDerWaalsContact O-N 3.08Å; D972-G975 VanDerWaalsContact OD2-CA 3.27Å; D972-G975 WeakPolarHBondContact OD2-CA 3Å; D972-P1000 HydrophobicContact CB-CG 4.09Å; D972-G1079 VanDerWaalsContact OD1-CA 3.28Å; D972-G1079 WeakPolarHBondContact OD1-CA 3.45Å; D972-E1080 PolarHBondContact OD1-N 3.41Å; D972-R1083 HydrophobicContact CB-CB 4.22Å; D972-R1083 HydrophobicContact CB-CG 4.42Å; D972-R1083 WeakPolarHBondContact OD2-CD 3.47Å; D972-R1083 IonicContact OD2-CZ 3.93Å; D972-R1083 IonicContact OD2-NE 2.9Å; D972-R1083 IonicContact OD2-NH1 3.36Å; D972-R1083 PolarHBondContact OD2-NH1 3.03Å
973	P	83.6	Confident	85.2	Confident	60 Å²	60	63.4 Å²	63.4	39%	0.39	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	18.2	-176.5	31.4	-36.3	0	0	0	113.8	H970	H970-P973 HydrophobicContact CB-CB 4.3Å; H970-P973 WeakPolarHBondContact O-CD 3.18Å
974	K	75	Confident	85	Confident	172 Å²	172	66.2 Å²	66.2	75%	0.748	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136	20.8	179.6	-64.7	167.7	-173.2	130	0	110.8	D972	D972-K974 PolarHBondContact O-N 2.03Å
975	G	64.3	Low	85.1	Confident	15 Å²	15	62.3 Å²	62.3	16%	0.155	32%	0.321	C	S	.	.			trans	-61.9	170.7	-170	0	0	0	0	0	115.9	D972	D972-G975 PolarHBondContact O-N 2.86Å; D972-G975 VanDerWaalsContact O-N 3.08Å; D972-G975 VanDerWaalsContact OD2-CA 3.27Å; D972-G975 WeakPolarHBondContact OD2-CA 3Å
976	T	60.1	Low	85.2	Confident	91 Å²	91	57.1 Å²	57.1	56%	0.558	30%	0.297	S	S	*	.	S	Bend	trans	-83.3	-14.1	179.5	43.1	0	0	0	0	113.9	E1055	T976-E1055 WeakPolarHBondContact CG2-OE1 3.5Å; T976-E1055 PolarHBondContact OG1-OE1 2.84Å
977	T	61.6	Low	85.1	Confident	73 Å²	73	55.5 Å²	55.5	45%	0.448	29%	0.29	S	S	.	.	S	Bend	trans	-108.5	-44.5	-176	-3.3	0	0	0	0	111.3	D999	T977-D999 VanDerWaalsContact CB-OD1 3.32Å; T977-D999 WeakPolarHBondContact CB-OD1 3.26Å; T977-D999 PolarHBondContact OG1-OD1 3.42Å
978	Q	65	Low	85	Confident	141 Å²	141	59.7 Å²	59.7	66%	0.659	31%	0.31	S	S	*	.			trans	51	53.5	-178.5	-157.9	171.2	10.1	0	0	112.3	D999	Q978-D999 VanDerWaalsContact CA-OD2 3.24Å; Q978-D999 WeakPolarHBondContact CA-OD2 3.34Å; Q978-D999 PolarHBondContact N-OD2 2.79Å
979	I	81.8	Confident	84.9	Confident	82 Å²	82	56.8 Å²	56.8	42%	0.421	30%	0.296	S	S	.	.			trans	-118.3	111.6	168.1	-59.9	175.1	0	0	0	105.2	A996 S998 D999	I979-A996 HydrophobicContact CG2-CB 4.43Å; I979-S998 CarbonylContact O-C 3.52Å; I979-S998 VanDerWaalsContact O-CA 3.25Å; I979-S998 WeakPolarHBondContact O-CA 3.35Å; I979-S998 VanDerWaalsContact O-CB 3.26Å; I979-S998 WeakPolarHBondContact O-CB 3.34Å; I979-D999 PolarHBondContact O-N 3.06Å
980	D	85.9	Confident	85	Confident	83 Å²	83	59.5 Å²	59.5	44%	0.444	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-79.3	156.2	-178.9	-55.7	-57.5	0	0	0	110.9	H970 N982	H970-D980 IonicContact CD2-OD1 3.11Å; H970-D980 PolarHBondContact CD2-OD1 2.88Å; H970-D980 IonicContact NE2-OD1 2.75Å; D980-N982 PolarHBondContact O-N 2.85Å
981	P	91.3	Very high	85.2	Confident	9 Å²	9	56.8 Å²	56.8	6%	0.058	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-67.7	123.3	-179	-15.9	28.2	0	0	0	111.8	M968 W983 Q994 V1158	M968-P981 HydrophobicContact CE-CB 4.18Å; M968-P981 HydrophobicContact CE-CG 4.27Å; M968-P981 WeakPolarHBondContact CE-O 3.4Å; P981-W983 HydrophobicContact CB-CZ2 4.49Å; P981-Q994 HydrophobicContact CB-CG 4.37Å; P981-V1158 HydrophobicContact CB-CG2 4Å; P981-V1158 HydrophobicContact CG-CG2 4.21Å
982	N	91.4	Very high	85.4	Confident	86 Å²	86	56.8 Å²	56.8	46%	0.46	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-91.5	121.1	171.1	-174.3	50	0	0	0	110.4	D980 Q994 T995 A996	D980-N982 PolarHBondContact O-N 2.85Å; N982-Q994 VanDerWaalsContact O-CA 3.32Å; N982-Q994 WeakPolarHBondContact O-CA 3.34Å; N982-T995 PolarHBondContact ND2-OG1 2.91Å; N982-T995 PolarHBondContact O-N 3.13Å; N982-A996 HydrophobicContact CB-CB 4.11Å
983	W	92.7	Very high	85.6	Confident	22 Å²	22	56.9 Å²	56.9	8%	0.083	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128.8	-178.4	-58.9	93.9	0	0	0	110.9	F966 M968 P981 L992 Q994 A1003 L1156 V1158 F1166	F966-W983 HydrophobicContact CE2-CB 4.26Å; F966-W983 HydrophobicContact CE2-CG 4.26Å; F966-W983 HydrophobicContact CZ-CB 3.95Å; F966-W983 HydrophobicContact CZ-CG 4.43Å; M968-W983 PolarHBondContact SD-NE1 3.3Å; P981-W983 HydrophobicContact CB-CZ2 4.49Å; W983-L992 HydrophobicContact CB-CD2 4.43Å; W983-L992 HydrophobicContact CE3-CB 4.18Å; W983-L992 HydrophobicContact CE3-CD2 4.16Å; W983-Q994 HydrophobicContact CD2-CB 4.32Å; W983-Q994 HydrophobicContact CD2-CG 4.02Å; W983-Q994 HydrophobicContact CE3-CB 3.81Å; W983-Q994 HydrophobicContact CE3-CG 4Å; W983-Q994 HydrophobicContact CH2-CB 4.44Å; W983-Q994 HydrophobicContact CH2-CG 4.31Å; W983-Q994 HydrophobicContact CZ2-CG 4.31Å; W983-Q994 HydrophobicContact CZ3-CB 3.9Å; W983-Q994 HydrophobicContact CZ3-CG 4.16Å; W983-A1003 HydrophobicContact CD2-CB 3.97Å; W983-A1003 HydrophobicContact CE3-CB 4.4Å; W983-A1003 HydrophobicContact CG-CB 4.42Å; W983-A1003 HydrophobicContact CH2-CB 4.28Å; W983-A1003 HydrophobicContact CZ2-CB 3.82Å; W983-L1156 HydrophobicContact CH2-CB 3.62Å; W983-L1156 HydrophobicContact CZ3-CB 3.75Å; W983-L1156 HydrophobicContact CZ3-CD1 4.11Å; W983-V1158 HydrophobicContact CH2-CG1 4.05Å; W983-V1158 HydrophobicContact CH2-CG2 4.29Å; W983-V1158 HydrophobicContact CZ2-CG2 3.98Å; W983-F1166 AromaticContact CH2-CE2 3.96Å; W983-F1166 HydrophobicContact CH2-CE2 3.96Å; W983-F1166 AromaticContact CZ3-CD2 3.76Å; W983-F1166 HydrophobicContact CZ3-CD2 3.76Å; W983-F1166 AromaticContact CZ3-CE2 3.56Å; W983-F1166 HydrophobicContact CZ3-CE2 3.56Å
984	V	92.1	Very high	86.2	Confident	61 Å²	61	54 Å²	54	37%	0.37	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.1	173.4	-178.6	0	0	0	0	108.6	L992 V993 T995	V984-L992 WeakPolarHBondContact O-CA 3.24Å; V984-V993 PolarHBondContact N-O 3.38Å; V984-V993 PolarHBondContact O-N 2.92Å; V984-T995 HydrophobicContact CG2-CG2 4.09Å
985	V	92.9	Very high	87	Confident	52 Å²	52	48.3 Å²	48.3	32%	0.315	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	134.5	177.6	-174.4	0	0	0	0	110.5	R964 F966 L992	R964-V985 HydrophobicContact CG-CG1 4.09Å; F966-V985 HydrophobicContact CE1-CG2 3.75Å; V985-L992 HydrophobicContact CG2-CD2 4.31Å; V985-L992 HydrophobicContact CG2-CG 4.18Å
986	R	92.4	Very high	88.3	Confident	58 Å²	58	48.5 Å²	48.5	22%	0.219	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	175.7	174.1	-72.4	178.8	167.6	-165	-12	109.9	D742 A743 Q988 G989 E991	D742-R986 PolarHBondContact O-NH2 2.92Å; A743-R986 VanDerWaalsContact CB-NH1 3.32Å; R986-Q988 PolarHBondContact O-N 2.97Å; R986-G989 PolarHBondContact O-N 3.46Å; R986-E991 HydrophobicContact CB-CB 3.9Å; R986-E991 HydrophobicContact CB-CG 3.98Å; R986-E991 WeakPolarHBondContact CD-OE1 3.46Å; R986-E991 PolarHBondContact N-O 2.94Å; R986-E991 PolarHBondContact O-N 2.79Å; R986-E991 VanDerWaalsContact O-O 3.11Å
987	H	94.1	Very high	89.8	Confident	13 Å²	13	46.5 Å²	46.5	6%	0.06	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	50.8	33.2	178.3	-163.8	179.9	0	0	0	113.6	S730 G731 E733 G989 K990 E991	S730-H987 VanDerWaalsContact C-ND1 3.27Å; S730-H987 VanDerWaalsContact CB-ND1 3.3Å; S730-H987 WeakPolarHBondContact CB-ND1 3.32Å; S730-H987 PolarHBondContact O-CE1 3.02Å; S730-H987 PolarHBondContact O-ND1 2.87Å; S730-H987 PolarHBondContact OG-ND1 3.19Å; G731-H987 VanDerWaalsContact CA-CB 3.41Å; E733-H987 PolarHBondContact OE1-N 3.46Å; H987-G989 PolarHBondContact O-N 3.15Å; H987-K990 HydrophobicContact CB-CB 4.06Å; H987-K990 PolarHBondContact CD2-NZ 2.03Å; H987-K990 VanDerWaalsContact CD2-NZ 3.27Å; H987-K990 PolarHBondContact NE2-NZ 3.07Å; H987-K990 VanDerWaalsContact O-CE 3.29Å; H987-K990 WeakPolarHBondContact O-CE 3.41Å; H987-K990 PolarHBondContact O-N 2.93Å; H987-K990 VanDerWaalsContact O-N 3.16Å; H987-E991 HydrophobicContact CB-CB 3.82Å
988	Q	92.8	Very high	91.2	Very high	110 Å²	110	43.1 Å²	43.1	51%	0.514	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	51.1	39.4	-178.5	-53.6	75.4	59.8	0	0	113.2	R964 R986	R964-Q988 WeakPolarHBondContact CD-O 3.37Å; R964-Q988 PolarHBondContact NE-O 3.41Å; R986-Q988 PolarHBondContact O-N 2.97Å
989	G	92.4	Very high	92.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	104	-5.8	177.9	0	0	0	0	0	114.9	F963 R986 H987	F963-G989 WeakPolarHBondContact CB-O 3.32Å; F963-G989 PolarHBondContact N-O 3.05Å; R986-G989 PolarHBondContact O-N 3.46Å; H987-G989 PolarHBondContact O-N 3.15Å
990	K	96.9	Very high	93	Very high	57 Å²	57	33.1 Å²	33.1	25%	0.248	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	2.9	175.8	-71.8	164.7	-78.4	157.8	0	114	T961 H987 D1168 L1169	T961-K990 HydrophobicContact CG2-CG 4.03Å; T961-K990 VanDerWaalsContact O-CG 3.26Å; T961-K990 WeakPolarHBondContact O-CG 2.99Å; H987-K990 HydrophobicContact CB-CB 4.06Å; H987-K990 PolarHBondContact CD2-NZ 2.03Å; H987-K990 VanDerWaalsContact CD2-NZ 3.27Å; H987-K990 PolarHBondContact NE2-NZ 3.07Å; H987-K990 VanDerWaalsContact O-CE 3.29Å; H987-K990 WeakPolarHBondContact O-CE 3.41Å; H987-K990 PolarHBondContact O-N 2.93Å; H987-K990 VanDerWaalsContact O-N 3.16Å; K990-D1168 PolarHBondContact O-N 2.92Å; K990-L1169 WeakPolarHBondContact O-CB 3.46Å; K990-L1169 WeakPolarHBondContact O-CG 3.42Å; K990-L1169 PolarHBondContact O-N 3.36Å
991	E	97.9	Very high	93.5	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	132.1	172.7	180	167.8	116.1	0	0	110.6	N729 S730 R986 H987 V993 F1166 S1167	N729-E991 WeakPolarHBondContact CA-OE2 3.36Å; S730-E991 PolarHBondContact N-OE2 3.04Å; S730-E991 PolarHBondContact OG-OE2 2.78Å; R986-E991 HydrophobicContact CB-CB 3.9Å; R986-E991 HydrophobicContact CB-CG 3.98Å; R986-E991 WeakPolarHBondContact CD-OE1 3.46Å; R986-E991 PolarHBondContact N-O 2.94Å; R986-E991 PolarHBondContact O-N 2.79Å; R986-E991 VanDerWaalsContact O-O 3.11Å; H987-E991 HydrophobicContact CB-CB 3.82Å; E991-V993 HydrophobicContact CG-CG2 4.5Å; E991-F1166 VanDerWaalsContact CA-O 3.32Å; E991-F1166 WeakPolarHBondContact CA-O 3.05Å; E991-S1167 VanDerWaalsContact OE2-CB 3.32Å; E991-S1167 WeakPolarHBondContact OE2-CB 3.34Å; E991-S1167 PolarHBondContact OE2-OG 2.7Å
992	L	97.4	Very high	93.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	133.1	171.1	-80.9	85.6	0	0	0	109.9	F963 F966 W983 V984 V985 A1003 L1156 F1166 L1169	F963-L992 HydrophobicContact CB-CD1 3.5Å; F963-L992 HydrophobicContact CG-CD1 4.42Å; F966-L992 HydrophobicContact CD1-CD2 4.29Å; F966-L992 HydrophobicContact CE1-CD2 4.14Å; F966-L992 HydrophobicContact CZ-CD2 4.46Å; W983-L992 HydrophobicContact CB-CD2 4.43Å; W983-L992 HydrophobicContact CE3-CB 4.18Å; W983-L992 HydrophobicContact CE3-CD2 4.16Å; V984-L992 WeakPolarHBondContact O-CA 3.24Å; V985-L992 HydrophobicContact CG2-CD2 4.31Å; V985-L992 HydrophobicContact CG2-CG 4.18Å; L992-A1003 HydrophobicContact CD2-CB 4.39Å; L992-L1156 HydrophobicContact CB-CD1 3.64Å; L992-L1156 HydrophobicContact CD1-CD1 4.18Å; L992-L1156 HydrophobicContact CD2-CD1 4.17Å; L992-L1156 HydrophobicContact CG-CD1 4.2Å; L992-F1166 PolarHBondContact N-O 2.77Å; L992-F1166 WeakPolarHBondContact O-CB 3.03Å; L992-F1166 PolarHBondContact O-N 2.76Å; L992-L1169 HydrophobicContact CD1-CD1 4Å
993	V	96.6	Very high	94.1	Very high	9 Å²	9	24.7 Å²	24.7	6%	0.055	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	120.4	175.9	-175.9	0	0	0	0	109	V984 E991 T995 V1164 F1165	V984-V993 PolarHBondContact N-O 3.38Å; V984-V993 PolarHBondContact O-N 2.92Å; E991-V993 HydrophobicContact CG-CG2 4.5Å; V993-T995 HydrophobicContact CG1-CG2 4.22Å; V993-V1164 WeakPolarHBondContact CA-O 3.03Å; V993-F1165 HydrophobicContact CG1-CD1 4.36Å; V993-F1165 HydrophobicContact CG1-CD2 3.79Å; V993-F1165 HydrophobicContact CG1-CE1 4.2Å; V993-F1165 HydrophobicContact CG1-CE2 3.57Å; V993-F1165 HydrophobicContact CG1-CG 4.16Å; V993-F1165 HydrophobicContact CG1-CZ 3.79Å; V993-F1165 HydrophobicContact CG2-CD1 3.61Å; V993-F1165 HydrophobicContact CG2-CD2 4.46Å; V993-F1165 HydrophobicContact CG2-CE1 3.72Å; V993-F1165 HydrophobicContact CG2-CG 3.99Å; V993-F1165 HydrophobicContact CG2-CZ 4.18Å
994	Q	95.9	Very high	94.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	126.5	173.8	-157.1	-77.5	2.2	0	0	109.1	P981 N982 W983 A996 S998 V1158 Q1161 L1163 V1164 F1166	P981-Q994 HydrophobicContact CB-CG 4.37Å; N982-Q994 VanDerWaalsContact O-CA 3.32Å; N982-Q994 WeakPolarHBondContact O-CA 3.34Å; W983-Q994 HydrophobicContact CD2-CB 4.32Å; W983-Q994 HydrophobicContact CD2-CG 4.02Å; W983-Q994 HydrophobicContact CE3-CB 3.81Å; W983-Q994 HydrophobicContact CE3-CG 4Å; W983-Q994 HydrophobicContact CH2-CB 4.44Å; W983-Q994 HydrophobicContact CH2-CG 4.31Å; W983-Q994 HydrophobicContact CZ2-CG 4.31Å; W983-Q994 HydrophobicContact CZ3-CB 3.9Å; W983-Q994 HydrophobicContact CZ3-CG 4.16Å; Q994-A996 PolarHBondContact NE2-O 2.03Å; Q994-A996 PolarHBondContact OE1-O 3.23Å; Q994-S998 PolarHBondContact NE2-OG 2.72Å; Q994-V1158 HydrophobicContact CB-CG1 4.08Å; Q994-V1158 HydrophobicContact CG-CB 4.44Å; Q994-V1158 HydrophobicContact CG-CG1 3.89Å; Q994-V1158 HydrophobicContact CG-CG2 3.9Å; Q994-Q1161 PolarHBondContact OE1-O 2.82Å; Q994-L1163 CarbonylContact O-C 3.13Å; Q994-L1163 WeakPolarHBondContact O-CA 3.35Å; Q994-L1163 PolarHBondContact O-N 2.94Å; Q994-V1164 HydrophobicContact CB-CB 4.45Å; Q994-V1164 PolarHBondContact N-O 3.17Å; Q994-V1164 PolarHBondContact O-N 2.98Å; Q994-F1166 HydrophobicContact CB-CE2 4.49Å
995	T	91.9	Very high	94.5	Very high	52 Å²	52	20.9 Å²	20.9	32%	0.319	11%	0.108	S	C	.	.			trans	-112.1	-2.2	-168.4	70.8	0	0	0	0	115.7	N982 V984 V993	N982-T995 PolarHBondContact ND2-OG1 2.91Å; N982-T995 PolarHBondContact O-N 3.13Å; V984-T995 HydrophobicContact CG2-CG2 4.09Å; V993-T995 HydrophobicContact CG1-CG2 4.22Å
996	A	91.5	Very high	94.7	Very high	19 Å²	19	22.5 Å²	22.5	16%	0.157	11%	0.111	C	C	.	.	S	Bend	trans	-126.4	134.1	-167	0	0	0	0	0	112.6	I979 N982 Q994 S998	I979-A996 HydrophobicContact CG2-CB 4.43Å; N982-A996 HydrophobicContact CB-CB 4.11Å; Q994-A996 PolarHBondContact NE2-O 2.03Å; Q994-A996 PolarHBondContact OE1-O 3.23Å; A996-S998 PolarHBondContact O-N 3.39Å
997	N	91.3	Very high	94.9	Very high	49 Å²	49	21.7 Å²	21.7	26%	0.262	11%	0.111	S	C	.	.			trans	-70.3	97.1	169.7	-167.8	-31.4	0	0	0	109.1	D1025 S1160 E1162	N997-D1025 PolarHBondContact ND2-OD2 3.25Å; N997-S1160 WeakPolarHBondContact OD1-CA 3.43Å; N997-S1160 PolarHBondContact OD1-O 2.87Å; N997-S1160 PolarHBondContact OD1-OG 2.83Å; N997-E1162 HydrophobicContact CB-CB 4.19Å
998	S	91.2	Very high	95.1	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.014	12%	0.119	C	C	.	.			trans	-115.2	159.6	-163.4	73.2	0	0	0	0	114.1	I979 Q994 A996 S1160	I979-S998 CarbonylContact O-C 3.52Å; I979-S998 VanDerWaalsContact O-CA 3.25Å; I979-S998 WeakPolarHBondContact O-CA 3.35Å; I979-S998 VanDerWaalsContact O-CB 3.26Å; I979-S998 WeakPolarHBondContact O-CB 3.34Å; Q994-S998 PolarHBondContact NE2-OG 2.72Å; A996-S998 PolarHBondContact O-N 3.39Å; S998-S1160 WeakPolarHBondContact O-CA 3.38Å; S998-S1160 PolarHBondContact O-N 2.04Å
999	D	90.5	Very high	95.3	Very high	11 Å²	11	18.1 Å²	18.1	6%	0.059	10%	0.095	C	C	.	.	S	Bend	trans	-57.6	158	160.4	-75.7	-16.4	0	0	0	110	T977 Q978 I979 G1001	T977-D999 VanDerWaalsContact CB-OD1 3.32Å; T977-D999 WeakPolarHBondContact CB-OD1 3.26Å; T977-D999 PolarHBondContact OG1-OD1 3.42Å; Q978-D999 VanDerWaalsContact CA-OD2 3.24Å; Q978-D999 WeakPolarHBondContact CA-OD2 3.34Å; Q978-D999 PolarHBondContact N-OD2 2.79Å; I979-D999 PolarHBondContact O-N 3.06Å; D999-G1001 PolarHBondContact O-N 2.66Å
1000	P	94.6	Very high	95.3	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.019	10%	0.099	C	C	.	.	S	Bend	trans	-65.1	130.3	-172.6	26	-35.8	0	0	0	112.1	L971 D972 R1083 V1158 F1159	L971-P1000 HydrophobicContact CB-CB 4.06Å; L971-P1000 HydrophobicContact CB-CG 4.1Å; L971-P1000 WeakPolarHBondContact CB-O 3.05Å; L971-P1000 HydrophobicContact CD1-CB 4.39Å; L971-P1000 PolarHBondContact N-O 3.01Å; D972-P1000 HydrophobicContact CB-CG 4.09Å; P1000-R1083 HydrophobicContact CG-CG 4.17Å; P1000-V1158 WeakPolarHBondContact CA-O 3.49Å; P1000-F1159 HydrophobicContact CB-CB 3.99Å; P1000-F1159 HydrophobicContact CB-CD1 3.81Å; P1000-F1159 HydrophobicContact CB-CD2 3.82Å; P1000-F1159 HydrophobicContact CB-CE1 4.21Å; P1000-F1159 HydrophobicContact CB-CE2 4.18Å; P1000-F1159 HydrophobicContact CB-CG 3.62Å; P1000-F1159 HydrophobicContact CB-CZ 4.39Å; P1000-F1159 HydrophobicContact CG-CD1 4.16Å; P1000-F1159 HydrophobicContact CG-CD2 4.49Å; P1000-F1159 HydrophobicContact CG-CE1 4.08Å; P1000-F1159 HydrophobicContact CG-CE2 4.38Å; P1000-F1159 HydrophobicContact CG-CG 4.38Å; P1000-F1159 HydrophobicContact CG-CZ 4.2Å
1001	G	95	Very high	95.2	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	167.2	-179.8	0	0	0	0	0	114.1	V969 D999 V1158	V969-G1001 CarbonylContact O-C 3.58Å; V969-G1001 WeakPolarHBondContact O-CA 3.43Å; D999-G1001 PolarHBondContact O-N 2.66Å; G1001-V1158 PolarHBondContact N-O 3.46Å; G1001-V1158 VanDerWaalsContact N-O 3.09Å; G1001-V1158 PolarHBondContact O-N 2.82Å
1002	I	97.4	Very high	95.2	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	134.6	-178.1	-33.3	170.4	0	0	0	109.4	V969 L971 V1004 V1032 Y1035 F1041 L1156 F1157	V969-I1002 HydrophobicContact CB-CB 4.11Å; V969-I1002 HydrophobicContact CB-CD1 4.26Å; V969-I1002 HydrophobicContact CB-CG1 4.26Å; V969-I1002 HydrophobicContact CG1-CD1 4.18Å; V969-I1002 PolarHBondContact N-O 3.47Å; V969-I1002 PolarHBondContact O-N 2.94Å; L971-I1002 HydrophobicContact CD1-CD1 4.04Å; L971-I1002 HydrophobicContact CD1-CG1 3.76Å; L971-I1002 HydrophobicContact CD2-CD1 4.07Å; L971-I1002 HydrophobicContact CD2-CG1 4.43Å; L971-I1002 HydrophobicContact CG-CD1 4.37Å; L971-I1002 HydrophobicContact CG-CG1 4.19Å; I1002-V1004 HydrophobicContact CB-CG2 3.86Å; I1002-V1004 HydrophobicContact CG2-CG2 3.53Å; I1002-V1032 HydrophobicContact CD1-CG1 4.12Å; I1002-V1032 HydrophobicContact CG2-CB 4.42Å; I1002-V1032 HydrophobicContact CG2-CG1 3.91Å; I1002-V1032 HydrophobicContact CG2-CG2 3.6Å; I1002-Y1035 HydrophobicContact CD1-CD2 4.1Å; I1002-Y1035 HydrophobicContact CD1-CE2 3.87Å; I1002-F1041 HydrophobicContact CD1-CE1 4.19Å; I1002-F1041 HydrophobicContact CD1-CE2 4.03Å; I1002-F1041 HydrophobicContact CD1-CZ 3.85Å; I1002-L1156 VanDerWaalsContact CA-O 3.26Å; I1002-L1156 WeakPolarHBondContact CA-O 3.08Å; I1002-L1156 WeakPolarHBondContact CG2-O 3.03Å; I1002-F1157 HydrophobicContact CG1-CD2 4.31Å
1003	A	97.6	Very high	95.2	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.008	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	108.4	159	0	0	0	0	0	107.9	F966 W983 L992 G1155 L1156	F966-A1003 HydrophobicContact CB-CB 4.35Å; F966-A1003 HydrophobicContact CD2-CB 3.47Å; F966-A1003 VanDerWaalsContact CD2-CB 3.47Å; F966-A1003 HydrophobicContact CE2-CB 3.95Å; F966-A1003 HydrophobicContact CG-CB 4.03Å; W983-A1003 HydrophobicContact CD2-CB 3.97Å; W983-A1003 HydrophobicContact CE3-CB 4.4Å; W983-A1003 HydrophobicContact CG-CB 4.42Å; W983-A1003 HydrophobicContact CH2-CB 4.28Å; W983-A1003 HydrophobicContact CZ2-CB 3.82Å; L992-A1003 HydrophobicContact CD2-CB 4.39Å; A1003-G1155 CarbonylContact O-C 3.09Å; A1003-G1155 WeakPolarHBondContact O-CA 3.28Å; A1003-L1156 PolarHBondContact N-O 2.87Å; A1003-L1156 PolarHBondContact O-N 3.35Å
1004	V	98	Very high	95.2	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	121.7	-176.5	-173.3	0	0	0	0	109.2	F966 Q967 V969 I1002 V1032 Y1035 R1153 L1154	F966-V1004 CarbonylContact C-O 3.55Å; F966-V1004 WeakPolarHBondContact CA-O 3.48Å; F966-V1004 WeakPolarHBondContact CB-O 3.03Å; Q967-V1004 HydrophobicContact CB-CB 4.44Å; Q967-V1004 PolarHBondContact N-O 2.92Å; Q967-V1004 PolarHBondContact O-N 2.94Å; V969-V1004 HydrophobicContact CG2-CG2 3.78Å; I1002-V1004 HydrophobicContact CB-CG2 3.86Å; I1002-V1004 HydrophobicContact CG2-CG2 3.53Å; V1004-V1032 HydrophobicContact CG2-CG2 4.49Å; V1004-Y1035 HydrophobicContact CG1-CD1 3.78Å; V1004-Y1035 HydrophobicContact CG1-CE1 4.35Å; V1004-Y1035 HydrophobicContact CG1-CG 3.94Å; V1004-Y1035 HydrophobicContact CG2-CD1 4.38Å; V1004-Y1035 HydrophobicContact CG2-CD2 4.02Å; V1004-Y1035 HydrophobicContact CG2-CE1 4.47Å; V1004-Y1035 HydrophobicContact CG2-CE2 4.12Å; V1004-Y1035 HydrophobicContact CG2-CG 4.16Å; V1004-R1153 HydrophobicContact CG1-CB 3.7Å; V1004-L1154 CarbonylContact C-O 3.37Å; V1004-L1154 WeakPolarHBondContact CA-O 3.37Å; V1004-L1154 WeakPolarHBondContact CG1-O 3.45Å
1005	G	96.8	Very high	95.3	Very high	2 Å²	2	18.2 Å²	18.2	2%	0.021	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	160.5	173.1	0	0	0	0	0	111.2	R1153 L1154	G1005-R1153 WeakPolarHBondContact O-CD 3.42Å; G1005-L1154 PolarHBondContact N-O 2.78Å
1006	F	96.4	Very high	95.6	Very high	86 Å²	86	15.7 Å²	15.7	38%	0.377	8%	0.084	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-25	179.3	-71.5	-81.1	0	0	0	113.2	L857 K965 Q967 E1008 R1153	L857-F1006 HydrophobicContact CD1-CD1 4.06Å; L857-F1006 HydrophobicContact CD1-CE1 3.85Å; L857-F1006 HydrophobicContact CD2-CE1 4.49Å; K965-F1006 HydrophobicContact CB-CD2 3.83Å; K965-F1006 HydrophobicContact CB-CE2 3.93Å; K965-F1006 WeakPolarHBondContact O-CD2 3.48Å; Q967-F1006 HydrophobicContact CB-CE1 4.45Å; Q967-F1006 HydrophobicContact CB-CZ 4.23Å; F1006-E1008 WeakPolarHBondContact O-CG 3.35Å; F1006-E1008 PolarHBondContact O-N 3.39Å; F1006-R1153 WeakPolarHBondContact O-CD 3.25Å
1007	D	97.3	Very high	95.9	Very high	41 Å²	41	14.8 Å²	14.8	22%	0.219	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	130.2	178.4	-62.6	17.1	0	0	0	112.4	I958 F1009 Y1171	I958-D1007 HydrophobicContact CD1-CB 4.09Å; I958-D1007 HydrophobicContact CG1-CB 4.49Å; I958-D1007 HydrophobicContact CG2-CB 4.46Å; I958-D1007 WeakPolarHBondContact CG2-OD2 3.12Å; D1007-F1009 HydrophobicContact CB-CE2 3.78Å; D1007-F1009 HydrophobicContact CB-CZ 3.69Å; D1007-F1009 WeakPolarHBondContact O-CE2 3.45Å; D1007-Y1171 PolarHBondContact OD2-OH 3.1Å
1008	E	97.4	Very high	96.3	Very high	47 Å²	47	12.8 Å²	12.8	22%	0.22	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	143.2	-174.3	-36.4	-151.5	93.5	0	0	111.9	H873 A886 N887 F1006 R1153	H873-E1008 IonicContact CE1-OE2 2.55Å; H873-E1008 PolarHBondContact CE1-OE2 3.42Å; H873-E1008 IonicContact NE2-OE2 2.97Å; H873-E1008 PolarHBondContact NE2-OE2 3.41Å; A886-E1008 WeakPolarHBondContact O-CB 3.1Å; A886-E1008 VanDerWaalsContact O-OE2 3.13Å; N887-E1008 WeakPolarHBondContact CB-O 3.48Å; F1006-E1008 WeakPolarHBondContact O-CG 3.35Å; F1006-E1008 PolarHBondContact O-N 3.39Å; E1008-R1153 HydrophobicContact CB-CG 4.08Å; E1008-R1153 HydrophobicContact CG-CG 3.61Å; E1008-R1153 VanDerWaalsContact OE1-CD 3.28Å; E1008-R1153 WeakPolarHBondContact OE1-CD 3.39Å; E1008-R1153 VanDerWaalsContact OE1-CG 3.23Å; E1008-R1153 WeakPolarHBondContact OE1-CG 3.31Å; E1008-R1153 IonicContact OE1-NE 2.72Å; E1008-R1153 PolarHBondContact OE1-NE 3.03Å
1009	F	97.3	Very high	96.6	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.009	7%	0.068	C	C	.	.			trans	-132.3	128.1	-168	-57.2	-89.3	0	0	0	114.8	I958 D1007 V1012 G1151 G1152 L1154 Y1171	I958-F1009 HydrophobicContact CD1-CE1 4.38Å; I958-F1009 HydrophobicContact CG2-CE1 4.4Å; D1007-F1009 HydrophobicContact CB-CE2 3.78Å; D1007-F1009 HydrophobicContact CB-CZ 3.69Å; D1007-F1009 WeakPolarHBondContact O-CE2 3.45Å; F1009-V1012 HydrophobicContact CB-CB 3.82Å; F1009-V1012 HydrophobicContact CB-CG1 4.04Å; F1009-V1012 HydrophobicContact CB-CG2 4.37Å; F1009-V1012 HydrophobicContact CD1-CB 4.07Å; F1009-V1012 HydrophobicContact CD1-CG2 3.81Å; F1009-V1012 HydrophobicContact CE1-CG2 4.27Å; F1009-V1012 HydrophobicContact CG-CB 3.98Å; F1009-V1012 HydrophobicContact CG-CG1 4.41Å; F1009-V1012 HydrophobicContact CG-CG2 3.97Å; F1009-G1151 CarbonylContact O-C 3.57Å; F1009-G1151 VanDerWaalsContact O-CA 3.23Å; F1009-G1151 WeakPolarHBondContact O-CA 3.27Å; F1009-G1152 PolarHBondContact N-O 3.01Å; F1009-G1152 VanDerWaalsContact N-O 3.12Å; F1009-G1152 PolarHBondContact O-N 2.7Å; F1009-G1152 VanDerWaalsContact O-N 3.15Å; F1009-L1154 HydrophobicContact CD2-CD1 4.01Å; F1009-L1154 HydrophobicContact CD2-CG 3.78Å; F1009-L1154 HydrophobicContact CE2-CB 4.39Å; F1009-L1154 HydrophobicContact CE2-CD1 3.63Å; F1009-L1154 HydrophobicContact CE2-CG 3.72Å; F1009-L1154 HydrophobicContact CZ-CD1 4.13Å; F1009-Y1171 AromaticContact CE1-CD2 3.67Å; F1009-Y1171 HydrophobicContact CE1-CD2 3.67Å; F1009-Y1171 HydrophobicContact CE1-CE2 4.07Å; F1009-Y1171 HydrophobicContact CE1-CG 4.16Å; F1009-Y1171 HydrophobicContact CZ-CD1 4.13Å; F1009-Y1171 AromaticContact CZ-CD2 3.43Å; F1009-Y1171 HydrophobicContact CZ-CD2 3.43Å; F1009-Y1171 VanDerWaalsContact CZ-CD2 3.43Å; F1009-Y1171 HydrophobicContact CZ-CE1 4.21Å; F1009-Y1171 AromaticContact CZ-CE2 3.55Å; F1009-Y1171 HydrophobicContact CZ-CE2 3.55Å; F1009-Y1171 AromaticContact CZ-CG 3.73Å; F1009-Y1171 HydrophobicContact CZ-CG 3.73Å; F1009-Y1171 AromaticContact CZ-CZ 3.93Å
1010	N	93.2	Very high	96.9	Very high	16 Å²	16	13 Å²	13	9%	0.086	7%	0.065	C	C	.	.	S	Bend	trans	-71.7	-39	168.8	-66.9	-21.5	0	0	0	112.8	N885 A886 N887 P1122 D1175	N885-N1010 VanDerWaalsContact CA-OD1 3.27Å; N885-N1010 WeakPolarHBondContact CA-OD1 3.45Å; A886-N1010 PolarHBondContact N-OD1 3.39Å; N887-N1010 PolarHBondContact N-OD1 3.3Å; N887-N1010 PolarHBondContact OD1-ND2 2.76Å; N887-N1010 PolarHBondContact OD1-OD1 2.8Å; N1010-P1122 WeakPolarHBondContact O-CD 3.36Å; N1010-P1122 VanDerWaalsContact O-CG 3.26Å; N1010-P1122 WeakPolarHBondContact O-CG 3.31Å; N1010-D1175 WeakPolarHBondContact CB-OD2 2.94Å
1011	A	94.4	Very high	97	Very high	3 Å²	3	14.9 Å²	14.9	3%	0.025	8%	0.076	C	C	.	.	S	Bend	trans	-161.2	119.4	-174.6	0	0	0	0	0	109	C1173 R1174 D1175	A1011-C1173 WeakPolarHBondContact O-CA 3.13Å; A1011-R1174 PolarHBondContact O-N 2.99Å; A1011-D1175 HydrophobicContact CB-CB 4.36Å
1012	V	96.9	Very high	97	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.018	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	142	-164.8	63.6	0	0	0	0	112.4	F1009 H1120 R1121 L1154 E1172	F1009-V1012 HydrophobicContact CB-CB 3.82Å; F1009-V1012 HydrophobicContact CB-CG1 4.04Å; F1009-V1012 HydrophobicContact CB-CG2 4.37Å; F1009-V1012 HydrophobicContact CD1-CB 4.07Å; F1009-V1012 HydrophobicContact CD1-CG2 3.81Å; F1009-V1012 HydrophobicContact CE1-CG2 4.27Å; F1009-V1012 HydrophobicContact CG-CB 3.98Å; F1009-V1012 HydrophobicContact CG-CG1 4.41Å; F1009-V1012 HydrophobicContact CG-CG2 3.97Å; V1012-H1120 HydrophobicContact CG1-CB 4.19Å; V1012-H1120 PolarHBondContact N-O 3.41Å; V1012-H1120 PolarHBondContact O-N 3.23Å; V1012-R1121 PolarHBondContact O-NH1 2.99Å; V1012-R1121 VanDerWaalsContact O-NH1 3.08Å; V1012-L1154 HydrophobicContact CG1-CD2 4.29Å; V1012-L1154 HydrophobicContact CG2-CD1 4.08Å; V1012-E1172 WeakPolarHBondContact CA-O 3.41Å
1013	D	96.9	Very high	96.9	Very high	28 Å²	28	20.7 Å²	20.7	15%	0.15	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	130.4	158.2	-69.4	-22.4	0	0	0	107.7	L1118 I1119 R1121 Y1171 E1172	D1013-L1118 WeakPolarHBondContact CA-O 3.16Å; D1013-I1119 VanDerWaalsContact OD1-CA 3.22Å; D1013-I1119 WeakPolarHBondContact OD1-CA 3.4Å; D1013-I1119 WeakPolarHBondContact OD1-CB 3.45Å; D1013-I1119 WeakPolarHBondContact OD1-CG1 3.41Å; D1013-I1119 WeakPolarHBondContact OD1-CG2 3.45Å; D1013-R1121 IonicContact OD1-CZ 3.31Å; D1013-R1121 VanDerWaalsContact OD1-CZ 3.23Å; D1013-R1121 IonicContact OD1-NH1 2.7Å; D1013-R1121 PolarHBondContact OD1-NH1 3.1Å; D1013-R1121 IonicContact OD1-NH2 3.76Å; D1013-R1121 PolarHBondContact OD1-NH2 3.35Å; D1013-R1121 IonicContact OD2-CZ 3.24Å; D1013-R1121 IonicContact OD2-NH1 2.77Å; D1013-R1121 IonicContact OD2-NH2 2.71Å; D1013-R1121 PolarHBondContact OD2-NH2 3.31Å; D1013-Y1171 CarbonylContact O-C 3.53Å; D1013-Y1171 VanDerWaalsContact O-CA 3.25Å; D1013-Y1171 WeakPolarHBondContact O-CA 3.45Å; D1013-E1172 PolarHBondContact N-O 3.45Å; D1013-E1172 PolarHBondContact O-N 2.89Å
1014	F	98.4	Very high	96.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	125.9	-177	176.2	-132.1	0	0	0	110.4	F963 F1031 W1116 L1118 L1154 L1156 L1169 K1170 Y1171	F963-F1014 HydrophobicContact CE2-CE2 4.07Å; F963-F1014 HydrophobicContact CE2-CZ 4.32Å; F963-F1014 HydrophobicContact CZ-CE2 4.12Å; F963-F1014 HydrophobicContact CZ-CZ 4.09Å; F1014-F1031 AromaticContact CD1-CD2 3.94Å; F1014-F1031 HydrophobicContact CD1-CD2 3.94Å; F1014-F1031 HydrophobicContact CD1-CE2 4.32Å; F1014-F1031 HydrophobicContact CE1-CB 4.05Å; F1014-F1031 AromaticContact CE1-CD2 3.97Å; F1014-F1031 HydrophobicContact CE1-CD2 3.97Å; F1014-F1031 HydrophobicContact CE1-CG 4.14Å; F1014-W1116 AromaticContact CD1-NE1 3.84Å; F1014-W1116 HydrophobicContact CE1-CZ2 4.12Å; F1014-W1116 AromaticContact CE1-NE1 3.83Å; F1014-W1116 AromaticContact CZ-CZ2 3.97Å; F1014-W1116 HydrophobicContact CZ-CZ2 3.97Å; F1014-L1118 HydrophobicContact CB-CB 4.24Å; F1014-L1118 HydrophobicContact CB-CD2 4.19Å; F1014-L1118 PolarHBondContact N-O 3.02Å; F1014-L1118 WeakPolarHBondContact O-CB 3.21Å; F1014-L1118 PolarHBondContact O-N 2.92Å; F1014-L1154 HydrophobicContact CB-CD1 4.01Å; F1014-L1154 HydrophobicContact CB-CD2 4.26Å; F1014-L1154 HydrophobicContact CD1-CD1 4.25Å; F1014-L1154 HydrophobicContact CD1-CD2 4.04Å; F1014-L1154 HydrophobicContact CD2-CD1 3.83Å; F1014-L1154 HydrophobicContact CE2-CD1 4.34Å; F1014-L1154 HydrophobicContact CG-CD1 3.78Å; F1014-L1154 HydrophobicContact CG-CD2 4.22Å; F1014-L1156 HydrophobicContact CZ-CD2 4.44Å; F1014-L1169 HydrophobicContact CE2-CD2 4.45Å; F1014-L1169 HydrophobicContact CZ-CD2 4.3Å; F1014-K1170 WeakPolarHBondContact CA-O 3.45Å; F1014-K1170 WeakPolarHBondContact CD2-O 3.05Å; F1014-Y1171 HydrophobicContact CD2-CD1 4.33Å; F1014-Y1171 HydrophobicContact CE2-CD1 4.41Å
1015	S	97.8	Very high	96.3	Very high	17 Å²	17	31 Å²	31	12%	0.119	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	158.5	-177.6	76.9	0	0	0	0	111.1	R1115 W1116 K1170	S1015-R1115 PolarHBondContact OG-NH2 2.95Å; S1015-W1116 VanDerWaalsContact CA-O 3.27Å; S1015-W1116 WeakPolarHBondContact CA-O 2.94Å; S1015-W1116 VanDerWaalsContact CB-O 3.25Å; S1015-W1116 WeakPolarHBondContact CB-O 3.5Å; S1015-K1170 PolarHBondContact N-O 2.83Å; S1015-K1170 PolarHBondContact O-N 2.89Å
1016	G	97.9	Very high	96.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.7	169.8	178.1	0	0	0	0	0	110.4	R1115 W1116	G1016-R1115 CarbonylContact O-C 3.38Å; G1016-R1115 WeakPolarHBondContact O-CA 3.25Å; G1016-R1115 WeakPolarHBondContact O-CD 3.38Å; G1016-W1116 VanDerWaalsContact C-CE3 3.48Å; G1016-W1116 PolarHBondContact N-O 3.08Å; G1016-W1116 VanDerWaalsContact O-CD2 3.25Å; G1016-W1116 PolarHBondContact O-N 3.14Å
1017	T	98.4	Very high	96.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.8	-175.3	-75.4	0	0	0	0	110.4	D700 L701 P728 A1113 Y1114 R1115 F1166 S1167	D700-T1017 WeakPolarHBondContact O-CG2 3.4Å; L701-T1017 HydrophobicContact CB-CG2 3.91Å; L701-T1017 WeakPolarHBondContact CB-OG1 3.41Å; L701-T1017 WeakPolarHBondContact O-CB 3.2Å; L701-T1017 PolarHBondContact O-OG1 2.78Å; P728-T1017 HydrophobicContact CB-CG2 4.39Å; P728-T1017 HydrophobicContact CG-CG2 4.01Å; T1017-A1113 HydrophobicContact CG2-CB 4.47Å; T1017-Y1114 CarbonylContact C-O 3.51Å; T1017-Y1114 WeakPolarHBondContact CA-O 2.93Å; T1017-R1115 WeakPolarHBondContact OG1-CD 3.22Å; T1017-R1115 PolarHBondContact OG1-NH1 3.16Å; T1017-F1166 CarbonylContact O-C 3.57Å; T1017-F1166 WeakPolarHBondContact O-CA 3.32Å; T1017-S1167 WeakPolarHBondContact CB-O 3.45Å; T1017-S1167 PolarHBondContact N-O 2.92Å; T1017-S1167 PolarHBondContact O-N 2.91Å
1018	M	98	Very high	96.2	Very high	7 Å²	7	26.6 Å²	26.6	3%	0.034	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	126.9	173.2	-163.8	-166.6	83.7	0	0	109.5	A1029 W1046 W1108 Y1114 W1116 V1164 F1165 F1166	M1018-A1029 HydrophobicContact SD-CB 3.83Å; M1018-W1046 HydrophobicContact CE-CD2 4.31Å; M1018-W1046 HydrophobicContact CE-CE3 3.46Å; M1018-W1046 VanDerWaalsContact CE-CE3 3.46Å; M1018-W1046 HydrophobicContact CE-CZ3 3.77Å; M1018-W1046 HydrophobicContact SD-CE3 4.06Å; M1018-W1108 HydrophobicContact CE-CB 3.73Å; M1018-W1108 HydrophobicContact CE-CG 3.83Å; M1018-Y1114 HydrophobicContact CE-CD2 4.19Å; M1018-Y1114 PolarHBondContact N-O 3.38Å; M1018-Y1114 PolarHBondContact O-N 3.47Å; M1018-W1116 HydrophobicContact CB-CE3 4.04Å; M1018-W1116 HydrophobicContact CB-CZ3 3.88Å; M1018-V1164 HydrophobicContact CG-CG1 4.38Å; M1018-F1165 WeakPolarHBondContact CA-O 3.19Å; M1018-F1166 HydrophobicContact CG-CE1 4.43Å
1019	Y	98.1	Very high	96.2	Very high	14 Å²	14	24.4 Å²	24.4	6%	0.055	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	137.6	173.8	-178.9	-77.1	0	0	0	109.1	N726 L727 P728 N1021 Y1111 A1113 F1165	N726-Y1019 PolarHBondContact O-OH 3.05Å; L727-Y1019 HydrophobicContact CD1-CD1 4.03Å; L727-Y1019 HydrophobicContact CD1-CE1 3.48Å; L727-Y1019 VanDerWaalsContact CD1-CE1 3.48Å; P728-Y1019 HydrophobicContact CG-CD2 3.9Å; P728-Y1019 HydrophobicContact CG-CG 3.92Å; Y1019-N1021 HydrophobicContact CD1-CB 4.03Å; Y1019-N1021 HydrophobicContact CE1-CB 3.75Å; Y1019-Y1111 HydrophobicContact CE1-CD1 4.42Å; Y1019-A1113 HydrophobicContact CD2-CB 4.06Å; Y1019-F1165 PolarHBondContact N-O 3.47Å; Y1019-F1165 PolarHBondContact O-N 2.88Å
1020	V	97.9	Very high	96.2	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.012	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	109.2	178	-179	0	0	0	0	108.4	T1022 W1108 Y1111	V1020-T1022 HydrophobicContact CG1-CG2 3.65Å; V1020-T1022 PolarHBondContact O-N 3Å; V1020-T1022 VanDerWaalsContact O-N 3.11Å; V1020-W1108 HydrophobicContact CB-CE3 4.12Å; V1020-W1108 HydrophobicContact CB-CH2 4.34Å; V1020-W1108 HydrophobicContact CB-CZ3 3.83Å; V1020-W1108 HydrophobicContact CG1-CH2 3.89Å; V1020-W1108 HydrophobicContact CG1-CZ3 3.74Å; V1020-W1108 HydrophobicContact CG2-CD2 4.17Å; V1020-W1108 HydrophobicContact CG2-CE3 3.91Å; V1020-W1108 HydrophobicContact CG2-CH2 4.18Å; V1020-W1108 HydrophobicContact CG2-CZ2 4.37Å; V1020-W1108 HydrophobicContact CG2-CZ3 3.91Å; V1020-Y1111 PolarHBondContact O-N 2.97Å
1021	N	96.4	Very high	96.5	Very high	44 Å²	44	23.9 Å²	23.9	24%	0.235	12%	0.119	C	C	.	.			trans	-87.6	38.7	-170.6	-164.5	16.2	0	0	0	112.8	L727 Y1019 Y1111 L1163 F1165	L727-N1021 HydrophobicContact CD1-CB 4.18Å; L727-N1021 WeakPolarHBondContact CD1-ND2 3.34Å; Y1019-N1021 HydrophobicContact CD1-CB 4.03Å; Y1019-N1021 HydrophobicContact CE1-CB 3.75Å; N1021-Y1111 WeakPolarHBondContact O-CE1 2.95Å; N1021-Y1111 WeakPolarHBondContact OD1-CD1 3.41Å; N1021-Y1111 WeakPolarHBondContact OD1-CE1 3.27Å; N1021-L1163 PolarHBondContact N-O 3.36Å; N1021-F1165 HydrophobicContact CB-CD2 3.84Å; N1021-F1165 HydrophobicContact CB-CE2 3.48Å; N1021-F1165 VanDerWaalsContact CB-CE2 3.48Å; N1021-F1165 HydrophobicContact CB-CZ 4.28Å
1022	T	94.8	Very high	96.7	Very high	5 Å²	5	23.8 Å²	23.8	3%	0.031	12%	0.117	C	C	.	.			trans	-153.8	152.3	-175.4	-170.7	0	0	0	0	111.7	V1020 R1024 Y1111 E1162 L1163	V1020-T1022 HydrophobicContact CG1-CG2 3.65Å; V1020-T1022 PolarHBondContact O-N 3Å; V1020-T1022 VanDerWaalsContact O-N 3.11Å; T1022-R1024 VanDerWaalsContact C-N 3.28Å; T1022-R1024 HydrophobicContact CG2-CB 4.36Å; T1022-R1024 WeakPolarHBondContact CG2-O 3.26Å; T1022-R1024 WeakPolarHBondContact OG1-CB 3.45Å; T1022-R1024 WeakPolarHBondContact OG1-CG 3.36Å; T1022-R1024 PolarHBondContact OG1-N 3.1Å; T1022-Y1111 WeakPolarHBondContact CA-OH 3.19Å; T1022-E1162 HydrophobicContact CG2-CG 4.33Å; T1022-E1162 WeakPolarHBondContact CG2-O 3.41Å; T1022-L1163 HydrophobicContact CG2-CB 4.07Å
1023	D	94.3	Very high	96.8	Very high	117 Å²	117	23.6 Å²	23.6	63%	0.626	12%	0.117	S	C	*	.	S	Bend	trans	-94.5	22.4	166.9	69.3	-14.9	0	0	0	112.2	Y1111	D1023-Y1111 HydrophobicContact CB-CE2 4.18Å; D1023-Y1111 PolarHBondContact N-OH 2.87Å
1024	R	92.2	Very high	96.8	Very high	151 Å²	151	22.3 Å²	22.3	57%	0.57	11%	0.11	S	C	*	.			trans	-117.5	144.9	-175.4	-56.9	172.6	-176.4	172.8	7.7	112.7	T1022 Q1161 E1162	T1022-R1024 VanDerWaalsContact C-N 3.28Å; T1022-R1024 HydrophobicContact CG2-CB 4.36Å; T1022-R1024 WeakPolarHBondContact CG2-O 3.26Å; T1022-R1024 WeakPolarHBondContact OG1-CB 3.45Å; T1022-R1024 WeakPolarHBondContact OG1-CG 3.36Å; T1022-R1024 PolarHBondContact OG1-N 3.1Å; R1024-Q1161 PolarHBondContact O-NE2 3.19Å; R1024-E1162 WeakPolarHBondContact CD-OE1 3.27Å; R1024-E1162 IonicContact CZ-OE1 2.73Å; R1024-E1162 IonicContact NE-OE1 2.8Å; R1024-E1162 IonicContact NH1-OE1 2.89Å; R1024-E1162 PolarHBondContact NH1-OE1 2.77Å
1025	D	91.3	Very high	96.9	Very high	67 Å²	67	22.3 Å²	22.3	36%	0.358	11%	0.11	S	C	.	.			trans	59	169.3	-171.6	-125.3	-53.6	0	0	0	115	N997	N997-D1025 PolarHBondContact ND2-OD2 3.25Å
1026	D	93.9	Very high	96.9	Very high	35 Å²	35	22 Å²	22	19%	0.187	11%	0.106	C	C	.	.			trans	-131	19.3	-177.6	67.7	49.3	0	0	0	114.2	K1047 Q1048 I1049 Q1051	D1026-K1047 VanDerWaalsContact C-NZ 3.29Å; D1026-K1047 WeakPolarHBondContact O-CG 3.5Å; D1026-K1047 PolarHBondContact O-NZ 2.92Å; D1026-K1047 IonicContact OD1-NZ 3.97Å; D1026-K1047 PolarHBondContact OD1-NZ 3.23Å; D1026-Q1048 HydrophobicContact CB-CB 4.15Å; D1026-Q1048 WeakPolarHBondContact O-CB 3.06Å; D1026-Q1048 PolarHBondContact O-N 2.77Å; D1026-Q1048 VanDerWaalsContact O-N 3.08Å; D1026-I1049 HydrophobicContact CB-CB 3.75Å; D1026-I1049 HydrophobicContact CB-CD1 3.87Å; D1026-I1049 HydrophobicContact CB-CG1 3.75Å; D1026-I1049 PolarHBondContact O-N 2.9Å; D1026-Q1051 PolarHBondContact OD1-NE2 3.09Å
1027	D	95.8	Very high	96.9	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.107	C	C	.	.			trans	-96.7	-157.7	-156.4	-87.6	-6.2	0	0	0	114.8	K1047 Q1051 W1087 W1108 S1160 Q1161	D1027-K1047 WeakPolarHBondContact O-CA 3.36Å; D1027-K1047 IonicContact OD1-NZ 3.77Å; D1027-K1047 PolarHBondContact OD1-NZ 3.34Å; D1027-Q1051 PolarHBondContact OD1-NE2 2.94Å; D1027-Q1051 VanDerWaalsContact OD1-NE2 3.14Å; D1027-W1087 WeakPolarHBondContact OD1-CH2 3.27Å; D1027-W1087 WeakPolarHBondContact OD2-CH2 3.49Å; D1027-W1108 WeakPolarHBondContact O-CZ2 2.96Å; D1027-W1108 PolarHBondContact O-NE1 2.75Å; D1027-S1160 WeakPolarHBondContact CB-O 3.38Å; D1027-S1160 WeakPolarHBondContact OD2-CB 3.36Å; D1027-S1160 PolarHBondContact OD2-OG 2.89Å; D1027-Q1161 HydrophobicContact CB-CB 4.27Å; D1027-Q1161 VanDerWaalsContact N-OE1 3.14Å
1028	Y	97.8	Very high	96.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	127.5	-161.4	-84.9	-72	0	0	0	113.7	M1045 W1046 K1047 G1063 W1087 F1159	Y1028-M1045 HydrophobicContact CD1-CB 3.91Å; Y1028-M1045 HydrophobicContact CD1-CG 4.17Å; Y1028-M1045 HydrophobicContact CD1-SD 4.04Å; Y1028-M1045 HydrophobicContact CE1-CB 4.3Å; Y1028-M1045 HydrophobicContact CE1-CG 4.05Å; Y1028-M1045 HydrophobicContact CE1-SD 3.76Å; Y1028-W1046 WeakPolarHBondContact CA-O 3.33Å; Y1028-K1047 HydrophobicContact CD1-CB 3.7Å; Y1028-K1047 HydrophobicContact CD2-CB 4.4Å; Y1028-K1047 HydrophobicContact CD2-CD 3.75Å; Y1028-K1047 HydrophobicContact CE1-CB 3.56Å; Y1028-K1047 HydrophobicContact CE1-CD 4.34Å; Y1028-K1047 HydrophobicContact CE2-CB 4.29Å; Y1028-K1047 HydrophobicContact CE2-CD 3.49Å; Y1028-K1047 VanDerWaalsContact CE2-CD 3.49Å; Y1028-K1047 HydrophobicContact CE2-CG 4.46Å; Y1028-K1047 HydrophobicContact CG-CB 4.11Å; Y1028-K1047 HydrophobicContact CG-CD 4.28Å; Y1028-G1063 WeakPolarHBondContact OH-CA 3.37Å; Y1028-W1087 HydrophobicContact CD2-CD2 4.21Å; Y1028-W1087 AromaticContact CD2-CE3 3.91Å; Y1028-W1087 HydrophobicContact CD2-CE3 3.91Å; Y1028-W1087 HydrophobicContact CD2-CZ3 4.29Å; Y1028-W1087 AromaticContact CE2-CD2 3.88Å; Y1028-W1087 HydrophobicContact CE2-CD2 3.88Å; Y1028-W1087 HydrophobicContact CE2-CE3 4.07Å; Y1028-W1087 HydrophobicContact CE2-CG 4.07Å; Y1028-W1087 PolarHBondContact OH-O 2.03Å; Y1028-W1087 VanDerWaalsContact OH-O 3.04Å; Y1028-F1159 PolarHBondContact N-O 2.88Å; Y1028-F1159 PolarHBondContact O-N 3.48Å
1029	A	98.3	Very high	96.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	160.8	165.9	0	0	0	0	0	110.9	M1018 M1045 W1046 F1157 V1164 F1166	M1018-A1029 HydrophobicContact SD-CB 3.83Å; A1029-M1045 WeakPolarHBondContact O-CA 3.46Å; A1029-W1046 PolarHBondContact N-O 3.18Å; A1029-W1046 VanDerWaalsContact N-O 3.16Å; A1029-W1046 PolarHBondContact O-N 3.06Å; A1029-F1157 CarbonylContact C-O 3.57Å; A1029-V1164 HydrophobicContact CB-CG1 3.74Å; A1029-V1164 HydrophobicContact CB-CG2 4.17Å; A1029-F1166 HydrophobicContact CB-CZ 4.36Å
1030	G	98.1	Very high	96.7	Very high	5 Å²	5	23.1 Å²	23.1	5%	0.052	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.6	-149.2	174.8	0	0	0	0	0	114.1	V1044 F1157 F1166	G1030-V1044 CarbonylContact C-O 3.56Å; G1030-V1044 VanDerWaalsContact CA-O 3.27Å; G1030-V1044 WeakPolarHBondContact CA-O 3.49Å; G1030-F1157 PolarHBondContact N-O 2.78Å; G1030-F1157 PolarHBondContact O-N 2.84Å; G1030-F1166 WeakPolarHBondContact O-CE1 3.43Å
1031	F	98.8	Very high	96.8	Very high	3 Å²	3	23 Å²	23	1%	0.013	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	158.2	-176	63.3	-90.6	0	0	0	112.3	F1014 F1033 V1044 W1116 L1118 V1129 G1155 L1156	F1014-F1031 AromaticContact CD1-CD2 3.94Å; F1014-F1031 HydrophobicContact CD1-CD2 3.94Å; F1014-F1031 HydrophobicContact CD1-CE2 4.32Å; F1014-F1031 HydrophobicContact CE1-CB 4.05Å; F1014-F1031 AromaticContact CE1-CD2 3.97Å; F1014-F1031 HydrophobicContact CE1-CD2 3.97Å; F1014-F1031 HydrophobicContact CE1-CG 4.14Å; F1031-F1033 HydrophobicContact CD2-CD1 4.42Å; F1031-F1033 HydrophobicContact CE2-CD1 4.12Å; F1031-V1044 HydrophobicContact CD1-CB 4.05Å; F1031-V1044 HydrophobicContact CD1-CG1 4.37Å; F1031-V1044 HydrophobicContact CD2-CB 4.31Å; F1031-V1044 HydrophobicContact CD2-CG2 4.41Å; F1031-V1044 HydrophobicContact CE1-CB 3.63Å; F1031-V1044 HydrophobicContact CE1-CG1 3.71Å; F1031-V1044 HydrophobicContact CE1-CG2 4.07Å; F1031-V1044 HydrophobicContact CE2-CB 3.93Å; F1031-V1044 HydrophobicContact CE2-CG2 3.66Å; F1031-V1044 HydrophobicContact CG-CB 4.37Å; F1031-V1044 HydrophobicContact CZ-CB 3.58Å; F1031-V1044 HydrophobicContact CZ-CG1 3.95Å; F1031-V1044 HydrophobicContact CZ-CG2 3.47Å; F1031-V1044 VanDerWaalsContact CZ-CG2 3.47Å; F1031-V1044 PolarHBondContact N-O 2.9Å; F1031-V1044 PolarHBondContact O-N 3.16Å; F1031-V1044 VanDerWaalsContact O-O 3.14Å; F1031-W1116 HydrophobicContact CB-CZ2 4.49Å; F1031-W1116 AromaticContact CD1-CD1 3.79Å; F1031-W1116 AromaticContact CD1-CD2 3.71Å; F1031-W1116 HydrophobicContact CD1-CD2 3.71Å; F1031-W1116 AromaticContact CD1-CE2 3.66Å; F1031-W1116 HydrophobicContact CD1-CE3 4.34Å; F1031-W1116 AromaticContact CD1-CG 3.8Å; F1031-W1116 HydrophobicContact CD1-CG 3.8Å; F1031-W1116 HydrophobicContact CD1-CZ2 4.27Å; F1031-W1116 AromaticContact CD1-NE1 3.69Å; F1031-W1116 HydrophobicContact CE1-CB 3.73Å; F1031-W1116 AromaticContact CE1-CD1 3.27Å; F1031-W1116 AromaticContact CE1-CD2 3.74Å; F1031-W1116 HydrophobicContact CE1-CD2 3.74Å; F1031-W1116 AromaticContact CE1-CE2 3.97Å; F1031-W1116 AromaticContact CE1-CG 3.3Å; F1031-W1116 HydrophobicContact CE1-CG 3.3Å; F1031-W1116 AromaticContact CE1-NE1 3.67Å; F1031-W1116 HydrophobicContact CZ-CB 4.36Å; F1031-W1116 AromaticContact CZ-CD1 3.5Å; F1031-W1116 VanDerWaalsContact CZ-CD1 3.5Å; F1031-W1116 AromaticContact CZ-CG 3.96Å; F1031-W1116 HydrophobicContact CZ-CG 3.96Å; F1031-W1116 AromaticContact CZ-NE1 3.98Å; F1031-L1118 HydrophobicContact CE2-CB 4.05Å; F1031-L1118 HydrophobicContact CE2-CD2 4.27Å; F1031-L1118 HydrophobicContact CZ-CB 4.29Å; F1031-V1129 HydrophobicContact CZ-CG1 4.46Å; F1031-G1155 CarbonylContact C-O 3.51Å; F1031-G1155 VanDerWaalsContact CA-O 3.29Å; F1031-G1155 WeakPolarHBondContact CA-O 3.25Å; F1031-G1155 VanDerWaalsContact CB-O 3.28Å; F1031-G1155 WeakPolarHBondContact CB-O 3.04Å; F1031-L1156 HydrophobicContact CB-CD2 4.45Å
1032	V	98.8	Very high	96.9	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	157.3	172.5	-54.3	0	0	0	0	111.2	I1002 V1004 F1041 Y1042 V1043 G1155 F1157	I1002-V1032 HydrophobicContact CD1-CG1 4.12Å; I1002-V1032 HydrophobicContact CG2-CB 4.42Å; I1002-V1032 HydrophobicContact CG2-CG1 3.91Å; I1002-V1032 HydrophobicContact CG2-CG2 3.6Å; V1004-V1032 HydrophobicContact CG2-CG2 4.49Å; V1032-F1041 HydrophobicContact CB-CD2 4.03Å; V1032-F1041 HydrophobicContact CG1-CD2 3.57Å; V1032-F1041 HydrophobicContact CG1-CE2 3.67Å; V1032-Y1042 VanDerWaalsContact CA-O 3.25Å; V1032-Y1042 WeakPolarHBondContact CA-O 3.45Å; V1032-Y1042 WeakPolarHBondContact CB-O 3.11Å; V1032-V1043 HydrophobicContact CG1-CB 4.1Å; V1032-V1043 HydrophobicContact CG1-CG2 4.03Å; V1032-G1155 PolarHBondContact N-O 3.39Å; V1032-G1155 PolarHBondContact O-N 3.01Å; V1032-G1155 VanDerWaalsContact O-N 3.15Å; V1032-F1157 HydrophobicContact CG1-CB 4.31Å; V1032-F1157 HydrophobicContact CG1-CD2 4.48Å
1033	F	98.7	Very high	97.1	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	153.1	173.9	67.6	-89.2	0	0	0	110.5	F1031 Y1035 Y1042 V1044 L1069 L1118 H1120 I1127 R1153 L1154	F1031-F1033 HydrophobicContact CD2-CD1 4.42Å; F1031-F1033 HydrophobicContact CE2-CD1 4.12Å; F1033-Y1035 PolarHBondContact O-N 2.82Å; F1033-Y1042 AromaticContact CD2-CD2 3.81Å; F1033-Y1042 HydrophobicContact CD2-CD2 3.81Å; F1033-Y1042 HydrophobicContact CD2-CG 4.19Å; F1033-Y1042 HydrophobicContact CE1-CG 4.45Å; F1033-Y1042 HydrophobicContact CE2-CD1 4.46Å; F1033-Y1042 AromaticContact CE2-CD2 3.46Å; F1033-Y1042 HydrophobicContact CE2-CD2 3.46Å; F1033-Y1042 VanDerWaalsContact CE2-CD2 3.46Å; F1033-Y1042 HydrophobicContact CE2-CE2 4.24Å; F1033-Y1042 AromaticContact CE2-CG 3.59Å; F1033-Y1042 HydrophobicContact CE2-CG 3.59Å; F1033-Y1042 HydrophobicContact CZ-CD1 4.41Å; F1033-Y1042 HydrophobicContact CZ-CD2 4.12Å; F1033-Y1042 AromaticContact CZ-CG 3.75Å; F1033-Y1042 HydrophobicContact CZ-CG 3.75Å; F1033-Y1042 PolarHBondContact N-O 3.16Å; F1033-Y1042 WeakPolarHBondContact O-CB 3.43Å; F1033-Y1042 PolarHBondContact O-N 2.04Å; F1033-Y1042 VanDerWaalsContact O-N 3.08Å; F1033-V1044 HydrophobicContact CE1-CG2 4.07Å; F1033-L1069 HydrophobicContact CE1-CD1 3.71Å; F1033-L1069 HydrophobicContact CZ-CD1 3.81Å; F1033-L1118 HydrophobicContact CB-CD2 3.48Å; F1033-L1118 VanDerWaalsContact CB-CD2 3.48Å; F1033-L1118 HydrophobicContact CD1-CD1 3.9Å; F1033-L1118 HydrophobicContact CD1-CD2 3.63Å; F1033-L1118 HydrophobicContact CD1-CG 4.42Å; F1033-L1118 HydrophobicContact CD2-CD1 4.29Å; F1033-L1118 HydrophobicContact CD2-CD2 3.75Å; F1033-L1118 HydrophobicContact CE1-CD1 3.65Å; F1033-L1118 HydrophobicContact CE1-CD2 4.26Å; F1033-L1118 HydrophobicContact CE2-CD1 4.07Å; F1033-L1118 HydrophobicContact CE2-CD2 4.36Å; F1033-L1118 HydrophobicContact CG-CD1 4.21Å; F1033-L1118 HydrophobicContact CG-CD2 3.33Å; F1033-L1118 HydrophobicContact CG-CG 4.42Å; F1033-L1118 HydrophobicContact CZ-CD1 3.73Å; F1033-H1120 HydrophobicContact CD2-CB 4.33Å; F1033-H1120 AromaticContact CD2-CE1 3.71Å; F1033-H1120 AromaticContact CD2-CG 3.84Å; F1033-H1120 AromaticContact CD2-ND1 3.47Å; F1033-H1120 WeakPolarHBondContact CD2-ND1 3.4Å; F1033-H1120 HydrophobicContact CE2-CB 4.39Å; F1033-H1120 AromaticContact CE2-CD2 3.84Å; F1033-H1120 AromaticContact CE2-CE1 3.75Å; F1033-H1120 AromaticContact CE2-CG 3.8Å; F1033-H1120 AromaticContact CE2-ND1 3.78Å; F1033-H1120 AromaticContact CE2-NE2 3.82Å; F1033-I1127 HydrophobicContact CE2-CD1 4.25Å; F1033-I1127 HydrophobicContact CE2-CG1 4.23Å; F1033-I1127 HydrophobicContact CE2-CG2 4.42Å; F1033-I1127 HydrophobicContact CZ-CD1 4.19Å; F1033-I1127 HydrophobicContact CZ-CG1 4.32Å; F1033-I1127 HydrophobicContact CZ-CG2 3.84Å; F1033-R1153 CarbonylContact C-O 3.5Å; F1033-L1154 HydrophobicContact CB-CD2 3.56Å
1034	G	98	Very high	97.3	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.01	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	54.9	43.8	-169.9	0	0	0	0	0	110.9	G1151 R1153	G1034-G1151 WeakPolarHBondContact CA-O 3.33Å; G1034-R1153 PolarHBondContact N-O 2.7Å
1035	Y	98.7	Very high	97.6	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	128.2	171.9	178.6	-78.9	0	0	0	108.5	N855 V969 I1002 V1004 F1033 S1038 F1041 G1152 R1153	N855-Y1035 WeakPolarHBondContact CB-OH 3.43Å; N855-Y1035 WeakPolarHBondContact O-CE1 3.38Å; N855-Y1035 PolarHBondContact O-OH 2.85Å; V969-Y1035 HydrophobicContact CG1-CE2 4.25Å; V969-Y1035 WeakPolarHBondContact CG1-OH 3.13Å; V969-Y1035 HydrophobicContact CG2-CE2 4.19Å; V969-Y1035 WeakPolarHBondContact CG2-OH 3.38Å; I1002-Y1035 HydrophobicContact CD1-CD2 4.1Å; I1002-Y1035 HydrophobicContact CD1-CE2 3.87Å; V1004-Y1035 HydrophobicContact CG1-CD1 3.78Å; V1004-Y1035 HydrophobicContact CG1-CE1 4.35Å; V1004-Y1035 HydrophobicContact CG1-CG 3.94Å; V1004-Y1035 HydrophobicContact CG2-CD1 4.38Å; V1004-Y1035 HydrophobicContact CG2-CD2 4.02Å; V1004-Y1035 HydrophobicContact CG2-CE1 4.47Å; V1004-Y1035 HydrophobicContact CG2-CE2 4.12Å; V1004-Y1035 HydrophobicContact CG2-CG 4.16Å; F1033-Y1035 PolarHBondContact O-N 2.82Å; Y1035-S1038 PolarHBondContact OH-N 2.91Å; Y1035-F1041 HydrophobicContact CD2-CB 3.8Å; Y1035-F1041 HydrophobicContact CD2-CD1 4.18Å; Y1035-F1041 HydrophobicContact CD2-CG 4.07Å; Y1035-F1041 HydrophobicContact CE2-CD1 4.33Å; Y1035-F1041 HydrophobicContact CG-CB 4.31Å; Y1035-G1152 CarbonylContact O-C 3.5Å; Y1035-G1152 WeakPolarHBondContact O-CA 3.34Å; Y1035-R1153 PolarHBondContact N-O 3.09Å; Y1035-R1153 PolarHBondContact O-N 2.91Å
1036	Q	98.1	Very high	97.9	Very high	9 Å²	9	5.5 Å²	5.5	4%	0.042	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	-55.9	173.7	-61	170.5	-17	0	0	107.5	D856 E870 D871 G872 R1040	D856-Q1036 WeakPolarHBondContact CA-O 3.48Å; D856-Q1036 VanDerWaalsContact CB-O 3.24Å; D856-Q1036 WeakPolarHBondContact CB-O 3.46Å; E870-Q1036 PolarHBondContact O-NE2 2.66Å; D871-Q1036 PolarHBondContact O-NE2 3.33Å; G872-Q1036 VanDerWaalsContact CA-CD 3.49Å; G872-Q1036 VanDerWaalsContact N-NE2 3.2Å; Q1036-R1040 HydrophobicContact CB-CB 4.1Å; Q1036-R1040 PolarHBondContact N-O 2.8Å
1037	S	97.9	Very high	98.1	Very high	2 Å²	2	3.9 Å²	3.9	1%	0.014	2%	0.019	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	168.3	171.1	91.5	0	0	0	0	110.7	D854 G1039 R1040 F1041	D854-S1037 CarbonylContact O-C 3.52Å; D854-S1037 VanDerWaalsContact O-CB 3.3Å; D854-S1037 WeakPolarHBondContact O-CB 3.44Å; D854-S1037 WeakPolarHBondContact OD2-CB 3.44Å; D854-S1037 PolarHBondContact OD2-OG 3.28Å; S1037-G1039 PolarHBondContact O-N 2.96Å; S1037-G1039 VanDerWaalsContact O-N 3.13Å; S1037-G1039 WeakPolarHBondContact OG-CA 3.28Å; S1037-G1039 PolarHBondContact OG-N 3.4Å; S1037-R1040 PolarHBondContact N-O 3.46Å; S1037-R1040 CarbonylContact O-C 3.4Å; S1037-R1040 WeakPolarHBondContact O-CA 3.24Å; S1037-R1040 PolarHBondContact O-N 3.14Å; S1037-R1040 PolarHBondContact OG-N 3.42Å; S1037-F1041 WeakPolarHBondContact O-CD1 3.39Å
1038	S	96.8	Very high	98.1	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.028	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-13.7	169.2	70.5	0	0	0	0	113.3	D854 Y1035 F1041 T1078 L1082	D854-S1038 VanDerWaalsContact C-OG 3.24Å; D854-S1038 WeakPolarHBondContact CA-OG 3.4Å; D854-S1038 WeakPolarHBondContact O-CA 3.46Å; D854-S1038 WeakPolarHBondContact O-CB 3.43Å; D854-S1038 PolarHBondContact O-N 3.34Å; D854-S1038 PolarHBondContact O-OG 3.24Å; Y1035-S1038 PolarHBondContact OH-N 2.91Å; S1038-F1041 WeakPolarHBondContact O-CE1 3.01Å; S1038-T1078 VanDerWaalsContact OG-CG2 3.26Å; S1038-T1078 WeakPolarHBondContact OG-CG2 3.21Å; S1038-L1082 VanDerWaalsContact O-CD2 3.31Å; S1038-L1082 WeakPolarHBondContact O-CD2 3.49Å
1039	G	96.9	Very high	98.1	Very high	4 Å²	4	9.6 Å²	9.6	4%	0.041	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-19.7	166.5	0	0	0	0	0	114.1	S1037 V1072 N1073 S1074	S1037-G1039 PolarHBondContact O-N 2.96Å; S1037-G1039 VanDerWaalsContact O-N 3.13Å; S1037-G1039 WeakPolarHBondContact OG-CA 3.28Å; S1037-G1039 PolarHBondContact OG-N 3.4Å; G1039-V1072 CarbonylContact O-C 3.59Å; G1039-N1073 CarbonylContact O-C 3.59Å; G1039-N1073 VanDerWaalsContact O-CA 3.24Å; G1039-N1073 WeakPolarHBondContact O-CA 3.09Å; G1039-S1074 PolarHBondContact O-N 2.73Å
1040	R	98.2	Very high	98	Very high	40 Å²	40	13.4 Å²	13.4	15%	0.151	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	89	-164.8	-66.4	176.5	61.3	102.2	0.2	112.3	D867 E870 Q1036 S1037 F1149	D867-R1040 IonicContact OD2-NH2 3.38Å; D867-R1040 PolarHBondContact OD2-NH2 3.26Å; E870-R1040 IonicContact OE2-CZ 3.95Å; E870-R1040 VanDerWaalsContact OE2-CZ 3.24Å; E870-R1040 IonicContact OE2-NH1 2.64Å; E870-R1040 PolarHBondContact OE2-NH1 3.39Å; E870-R1040 IonicContact OE2-NH2 3.17Å; E870-R1040 PolarHBondContact OE2-NH2 2.59Å; Q1036-R1040 HydrophobicContact CB-CB 4.1Å; Q1036-R1040 PolarHBondContact N-O 2.8Å; S1037-R1040 PolarHBondContact N-O 3.46Å; S1037-R1040 CarbonylContact O-C 3.4Å; S1037-R1040 WeakPolarHBondContact O-CA 3.24Å; S1037-R1040 PolarHBondContact O-N 3.14Å; S1037-R1040 PolarHBondContact OG-N 3.42Å; R1040-F1149 VanDerWaalsContact CA-CZ 3.45Å; R1040-F1149 HydrophobicContact CB-CD1 4.29Å; R1040-F1149 HydrophobicContact CB-CE1 3.57Å; R1040-F1149 HydrophobicContact CB-CE2 4.42Å; R1040-F1149 HydrophobicContact CB-CZ 3.66Å; R1040-F1149 HydrophobicContact CG-CE1 3.78Å; R1040-F1149 HydrophobicContact CG-CZ 4.06Å
1041	F	98.7	Very high	97.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	159.1	174.3	62.8	-84	0	0	0	114	L971 I1002 V1032 Y1035 S1037 S1038 V1043 V1072 L1086 F1149	L971-F1041 HydrophobicContact CD1-CZ 4.25Å; L971-F1041 HydrophobicContact CD2-CE1 4.24Å; L971-F1041 HydrophobicContact CD2-CZ 4.24Å; I1002-F1041 HydrophobicContact CD1-CE1 4.19Å; I1002-F1041 HydrophobicContact CD1-CE2 4.03Å; I1002-F1041 HydrophobicContact CD1-CZ 3.85Å; V1032-F1041 HydrophobicContact CB-CD2 4.03Å; V1032-F1041 HydrophobicContact CG1-CD2 3.57Å; V1032-F1041 HydrophobicContact CG1-CE2 3.67Å; Y1035-F1041 HydrophobicContact CD2-CB 3.8Å; Y1035-F1041 HydrophobicContact CD2-CD1 4.18Å; Y1035-F1041 HydrophobicContact CD2-CG 4.07Å; Y1035-F1041 HydrophobicContact CE2-CD1 4.33Å; Y1035-F1041 HydrophobicContact CG-CB 4.31Å; S1037-F1041 WeakPolarHBondContact O-CD1 3.39Å; S1038-F1041 WeakPolarHBondContact O-CE1 3.01Å; F1041-V1043 HydrophobicContact CD2-CB 4.01Å; F1041-V1043 HydrophobicContact CE2-CB 3.85Å; F1041-V1043 HydrophobicContact CE2-CG1 4.19Å; F1041-V1043 HydrophobicContact CE2-CG2 4.45Å; F1041-V1072 HydrophobicContact CD1-CB 3.88Å; F1041-V1072 HydrophobicContact CD1-CG1 4.11Å; F1041-V1072 HydrophobicContact CD1-CG2 4.11Å; F1041-V1072 HydrophobicContact CD2-CB 4.48Å; F1041-V1072 HydrophobicContact CD2-CG2 3.97Å; F1041-V1072 HydrophobicContact CE1-CB 3.92Å; F1041-V1072 HydrophobicContact CE1-CG1 3.84Å; F1041-V1072 HydrophobicContact CE1-CG2 3.85Å; F1041-V1072 HydrophobicContact CE2-CG2 3.71Å; F1041-V1072 HydrophobicContact CG-CB 4.18Å; F1041-V1072 HydrophobicContact CG-CG2 4.18Å; F1041-V1072 HydrophobicContact CZ-CB 4.26Å; F1041-V1072 HydrophobicContact CZ-CG1 4.39Å; F1041-V1072 HydrophobicContact CZ-CG2 3.66Å; F1041-V1072 PolarHBondContact N-O 2.78Å; F1041-V1072 WeakPolarHBondContact O-CB 3.02Å; F1041-V1072 PolarHBondContact O-N 2.87Å; F1041-L1086 HydrophobicContact CZ-CD2 4.39Å; F1041-F1149 VanDerWaalsContact N-CE2 3.32Å
1042	Y	98.8	Very high	97.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	145.8	161.4	-54.9	-82.5	0	0	0	110.6	V1032 F1033 K1070 V1071 L1099 H1120 I1127 D1146 T1148 F1149	V1032-Y1042 VanDerWaalsContact CA-O 3.25Å; V1032-Y1042 WeakPolarHBondContact CA-O 3.45Å; V1032-Y1042 WeakPolarHBondContact CB-O 3.11Å; F1033-Y1042 AromaticContact CD2-CD2 3.81Å; F1033-Y1042 HydrophobicContact CD2-CD2 3.81Å; F1033-Y1042 HydrophobicContact CD2-CG 4.19Å; F1033-Y1042 HydrophobicContact CE1-CG 4.45Å; F1033-Y1042 HydrophobicContact CE2-CD1 4.46Å; F1033-Y1042 AromaticContact CE2-CD2 3.46Å; F1033-Y1042 HydrophobicContact CE2-CD2 3.46Å; F1033-Y1042 VanDerWaalsContact CE2-CD2 3.46Å; F1033-Y1042 HydrophobicContact CE2-CE2 4.24Å; F1033-Y1042 AromaticContact CE2-CG 3.59Å; F1033-Y1042 HydrophobicContact CE2-CG 3.59Å; F1033-Y1042 HydrophobicContact CZ-CD1 4.41Å; F1033-Y1042 HydrophobicContact CZ-CD2 4.12Å; F1033-Y1042 AromaticContact CZ-CG 3.75Å; F1033-Y1042 HydrophobicContact CZ-CG 3.75Å; F1033-Y1042 PolarHBondContact N-O 3.16Å; F1033-Y1042 WeakPolarHBondContact O-CB 3.43Å; F1033-Y1042 PolarHBondContact O-N 2.04Å; F1033-Y1042 VanDerWaalsContact O-N 3.08Å; Y1042-K1070 WeakPolarHBondContact CA-O 3.31Å; Y1042-V1071 HydrophobicContact CD1-CB 3.62Å; Y1042-V1071 HydrophobicContact CD1-CG2 3.55Å; Y1042-V1071 HydrophobicContact CE1-CB 3.84Å; Y1042-V1071 HydrophobicContact CE1-CG2 3.51Å; Y1042-V1071 HydrophobicContact CG-CG2 4.43Å; Y1042-L1099 HydrophobicContact CD1-CD1 4.12Å; Y1042-L1099 HydrophobicContact CE1-CD1 4.23Å; Y1042-H1120 AromaticContact CE2-CE1 3.71Å; Y1042-H1120 AromaticContact CE2-NE2 3.65Å; Y1042-I1127 HydrophobicContact CD1-CD1 4.12Å; Y1042-I1127 HydrophobicContact CE1-CD1 3.88Å; Y1042-D1146 HydrophobicContact CE1-CB 4.16Å; Y1042-T1148 PolarHBondContact OH-N 2.84Å; Y1042-F1149 HydrophobicContact CD2-CD2 4.08Å; Y1042-F1149 HydrophobicContact CE1-CD2 4.43Å; Y1042-F1149 HydrophobicContact CE2-CB 3.8Å; Y1042-F1149 AromaticContact CE2-CD2 3.84Å; Y1042-F1149 HydrophobicContact CE2-CD2 3.84Å; Y1042-F1149 HydrophobicContact CE2-CG 4.3Å; Y1042-F1149 HydrophobicContact CG-CD2 4.5Å; Y1042-F1149 PolarHBondContact OH-N 3.41Å; Y1042-F1149 VanDerWaalsContact OH-N 3.17Å; Y1042-F1149 PolarHBondContact OH-O 3.42Å
1043	V	98.8	Very high	97.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	133.1	179.1	59.7	0	0	0	0	111.8	V1032 F1041 M1045 L1069 K1070 V1072 L1086 F1157	V1032-V1043 HydrophobicContact CG1-CB 4.1Å; V1032-V1043 HydrophobicContact CG1-CG2 4.03Å; F1041-V1043 HydrophobicContact CD2-CB 4.01Å; F1041-V1043 HydrophobicContact CE2-CB 3.85Å; F1041-V1043 HydrophobicContact CE2-CG1 4.19Å; F1041-V1043 HydrophobicContact CE2-CG2 4.45Å; V1043-M1045 HydrophobicContact CG1-CE 4.07Å; V1043-M1045 HydrophobicContact CG2-CB 4.24Å; V1043-M1045 HydrophobicContact CG2-CE 3.92Å; V1043-L1069 WeakPolarHBondContact O-CA 3.15Å; V1043-K1070 HydrophobicContact CG1-CB 3.9Å; V1043-K1070 PolarHBondContact N-O 2.88Å; V1043-K1070 PolarHBondContact O-N 3.24Å; V1043-V1072 HydrophobicContact CG1-CG2 4.2Å; V1043-L1086 HydrophobicContact CG1-CD2 4.18Å; V1043-F1157 HydrophobicContact CG2-CB 4.43Å; V1043-F1157 HydrophobicContact CG2-CD2 4.1Å; V1043-F1157 HydrophobicContact CG2-CG 4.08Å
1044	V	98.8	Very high	97	Very high	5 Å²	5	24.6 Å²	24.6	3%	0.03	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	120.6	163.4	-179.9	0	0	0	0	107.3	G1030 F1031 F1033 V1067 S1068 L1069 V1129	G1030-V1044 CarbonylContact C-O 3.56Å; G1030-V1044 VanDerWaalsContact CA-O 3.27Å; G1030-V1044 WeakPolarHBondContact CA-O 3.49Å; F1031-V1044 HydrophobicContact CD1-CB 4.05Å; F1031-V1044 HydrophobicContact CD1-CG1 4.37Å; F1031-V1044 HydrophobicContact CD2-CB 4.31Å; F1031-V1044 HydrophobicContact CD2-CG2 4.41Å; F1031-V1044 HydrophobicContact CE1-CB 3.63Å; F1031-V1044 HydrophobicContact CE1-CG1 3.71Å; F1031-V1044 HydrophobicContact CE1-CG2 4.07Å; F1031-V1044 HydrophobicContact CE2-CB 3.93Å; F1031-V1044 HydrophobicContact CE2-CG2 3.66Å; F1031-V1044 HydrophobicContact CG-CB 4.37Å; F1031-V1044 HydrophobicContact CZ-CB 3.58Å; F1031-V1044 HydrophobicContact CZ-CG1 3.95Å; F1031-V1044 HydrophobicContact CZ-CG2 3.47Å; F1031-V1044 VanDerWaalsContact CZ-CG2 3.47Å; F1031-V1044 PolarHBondContact N-O 2.9Å; F1031-V1044 PolarHBondContact O-N 3.16Å; F1031-V1044 VanDerWaalsContact O-O 3.14Å; F1033-V1044 HydrophobicContact CE1-CG2 4.07Å; V1044-V1067 HydrophobicContact CG1-CG1 3.71Å; V1044-S1068 WeakPolarHBondContact CA-O 3.41Å; V1044-L1069 HydrophobicContact CG2-CD1 3.84Å; V1044-V1129 HydrophobicContact CG1-CG1 4.09Å; V1044-V1129 HydrophobicContact CG2-CG1 4.18Å; V1044-V1129 HydrophobicContact CG2-CG2 3.72Å
1045	M	98	Very high	96.6	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	144.1	-179.1	55.7	167.4	55.1	0	0	111.3	Y1028 A1029 V1043 S1068 K1070 L1086 F1157	Y1028-M1045 HydrophobicContact CD1-CB 3.91Å; Y1028-M1045 HydrophobicContact CD1-CG 4.17Å; Y1028-M1045 HydrophobicContact CD1-SD 4.04Å; Y1028-M1045 HydrophobicContact CE1-CB 4.3Å; Y1028-M1045 HydrophobicContact CE1-CG 4.05Å; Y1028-M1045 HydrophobicContact CE1-SD 3.76Å; A1029-M1045 WeakPolarHBondContact O-CA 3.46Å; V1043-M1045 HydrophobicContact CG1-CE 4.07Å; V1043-M1045 HydrophobicContact CG2-CB 4.24Å; V1043-M1045 HydrophobicContact CG2-CE 3.92Å; M1045-S1068 PolarHBondContact N-O 2.83Å; M1045-S1068 WeakPolarHBondContact O-CB 3.39Å; M1045-S1068 PolarHBondContact O-N 3.26Å; M1045-K1070 HydrophobicContact SD-CD 3.95Å; M1045-K1070 WeakPolarHBondContact SD-CE 3.33Å; M1045-K1070 PolarHBondContact SD-NZ 3.21Å; M1045-L1086 HydrophobicContact CE-CB 4.22Å; M1045-L1086 HydrophobicContact CE-CD2 3.86Å; M1045-F1157 HydrophobicContact CB-CD1 4.3Å; M1045-F1157 HydrophobicContact CB-CE1 4.28Å; M1045-F1157 HydrophobicContact CE-CD1 4.43Å; M1045-F1157 HydrophobicContact CE-CE1 3.7Å; M1045-F1157 HydrophobicContact CE-CE2 4.17Å; M1045-F1157 HydrophobicContact CE-CZ 3.55Å
1046	W	98.3	Very high	96.2	Very high	11 Å²	11	30.9 Å²	30.9	4%	0.042	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	128.8	-172	-167.4	9.2	0	0	0	111.1	M1018 Y1028 A1029 V1067 I1106 W1108 Y1114 V1131 M1138	M1018-W1046 HydrophobicContact CE-CD2 4.31Å; M1018-W1046 HydrophobicContact CE-CE3 3.46Å; M1018-W1046 VanDerWaalsContact CE-CE3 3.46Å; M1018-W1046 HydrophobicContact CE-CZ3 3.77Å; M1018-W1046 HydrophobicContact SD-CE3 4.06Å; Y1028-W1046 WeakPolarHBondContact CA-O 3.33Å; A1029-W1046 PolarHBondContact N-O 3.18Å; A1029-W1046 VanDerWaalsContact N-O 3.16Å; A1029-W1046 PolarHBondContact O-N 3.06Å; W1046-V1067 HydrophobicContact CB-CG2 4.42Å; W1046-V1067 VanDerWaalsContact CD1-N 3.32Å; W1046-V1067 HydrophobicContact CD2-CG2 3.61Å; W1046-V1067 HydrophobicContact CE3-CG2 4.1Å; W1046-V1067 HydrophobicContact CG-CB 4.46Å; W1046-V1067 HydrophobicContact CG-CG2 3.77Å; W1046-V1067 HydrophobicContact CZ2-CG2 4.25Å; W1046-I1106 PolarHBondContact NE1-O 2.91Å; W1046-W1108 HydrophobicContact CD2-CB 3.97Å; W1046-W1108 AromaticContact CD2-CD1 3.92Å; W1046-W1108 HydrophobicContact CD2-CG 4.39Å; W1046-W1108 VanDerWaalsContact CE2-N 3.34Å; W1046-W1108 HydrophobicContact CE3-CB 4.08Å; W1046-W1108 AromaticContact CG-CD1 3.78Å; W1046-W1108 HydrophobicContact CH2-CB 3.98Å; W1046-W1108 HydrophobicContact CZ2-CB 3.88Å; W1046-W1108 HydrophobicContact CZ3-CB 4.07Å; W1046-W1108 PolarHBondContact O-NE1 3.45Å; W1046-W1108 VanDerWaalsContact O-NE1 3.14Å; W1046-Y1114 AromaticContact CH2-CD1 3.55Å; W1046-Y1114 HydrophobicContact CH2-CD1 3.55Å; W1046-Y1114 AromaticContact CH2-CD2 3.89Å; W1046-Y1114 HydrophobicContact CH2-CD2 3.89Å; W1046-Y1114 AromaticContact CH2-CE1 3.7Å; W1046-Y1114 HydrophobicContact CH2-CE1 3.7Å; W1046-Y1114 HydrophobicContact CH2-CE2 4.02Å; W1046-Y1114 AromaticContact CH2-CG 3.62Å; W1046-Y1114 HydrophobicContact CH2-CG 3.62Å; W1046-Y1114 AromaticContact CH2-CZ 3.91Å; W1046-Y1114 AromaticContact CZ3-CD1 3.97Å; W1046-Y1114 HydrophobicContact CZ3-CD1 3.97Å; W1046-Y1114 AromaticContact CZ3-CD2 3.77Å; W1046-Y1114 HydrophobicContact CZ3-CD2 3.77Å; W1046-Y1114 HydrophobicContact CZ3-CE1 4.48Å; W1046-Y1114 HydrophobicContact CZ3-CE2 4.29Å; W1046-Y1114 AromaticContact CZ3-CG 3.56Å; W1046-Y1114 HydrophobicContact CZ3-CG 3.56Å; W1046-V1131 HydrophobicContact CH2-CG1 4.03Å; W1046-V1131 HydrophobicContact CZ3-CG1 3.77Å; W1046-M1138 HydrophobicContact CH2-CE 3.55Å; W1046-M1138 HydrophobicContact CH2-SD 4.39Å; W1046-M1138 HydrophobicContact CZ2-CE 3.61Å; W1046-M1138 HydrophobicContact CZ2-SD 4Å
1047	K	97.4	Very high	95.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	143.1	-179	-174.4	159.3	165.3	46.4	0	112.1	D1026 D1027 Y1028 I1049 S1065 G1066 G1107	D1026-K1047 VanDerWaalsContact C-NZ 3.29Å; D1026-K1047 WeakPolarHBondContact O-CG 3.5Å; D1026-K1047 PolarHBondContact O-NZ 2.92Å; D1026-K1047 IonicContact OD1-NZ 3.97Å; D1026-K1047 PolarHBondContact OD1-NZ 3.23Å; D1027-K1047 WeakPolarHBondContact O-CA 3.36Å; D1027-K1047 IonicContact OD1-NZ 3.77Å; D1027-K1047 PolarHBondContact OD1-NZ 3.34Å; Y1028-K1047 HydrophobicContact CD1-CB 3.7Å; Y1028-K1047 HydrophobicContact CD2-CB 4.4Å; Y1028-K1047 HydrophobicContact CD2-CD 3.75Å; Y1028-K1047 HydrophobicContact CE1-CB 3.56Å; Y1028-K1047 HydrophobicContact CE1-CD 4.34Å; Y1028-K1047 HydrophobicContact CE2-CB 4.29Å; Y1028-K1047 HydrophobicContact CE2-CD 3.49Å; Y1028-K1047 VanDerWaalsContact CE2-CD 3.49Å; Y1028-K1047 HydrophobicContact CE2-CG 4.46Å; Y1028-K1047 HydrophobicContact CG-CB 4.11Å; Y1028-K1047 HydrophobicContact CG-CD 4.28Å; K1047-I1049 WeakPolarHBondContact CE-O 3.21Å; K1047-I1049 WeakPolarHBondContact CG-O 3.14Å; K1047-I1049 PolarHBondContact NZ-O 2.99Å; K1047-S1065 VanDerWaalsContact O-CA 3.29Å; K1047-S1065 WeakPolarHBondContact O-CA 3.23Å; K1047-G1066 PolarHBondContact O-N 3.06Å; K1047-G1107 VanDerWaalsContact O-CA 3.3Å; K1047-G1107 WeakPolarHBondContact O-CA 3.32Å
1048	Q	97.2	Very high	95.5	Very high	40 Å²	40	39.6 Å²	39.6	19%	0.187	20%	0.196	C	C	.	.	S	Bend	trans	-71.8	-59	-179.8	-170.7	-172.7	109.3	0	0	112.1	D1026 S1065 G1107 W1108 D1110	D1026-Q1048 HydrophobicContact CB-CB 4.15Å; D1026-Q1048 WeakPolarHBondContact O-CB 3.06Å; D1026-Q1048 PolarHBondContact O-N 2.77Å; D1026-Q1048 VanDerWaalsContact O-N 3.08Å; Q1048-S1065 WeakPolarHBondContact O-CB 3.25Å; Q1048-G1107 WeakPolarHBondContact O-CA 3Å; Q1048-W1108 HydrophobicContact CB-CD2 3.85Å; Q1048-W1108 HydrophobicContact CB-CE3 4.1Å; Q1048-W1108 HydrophobicContact CB-CG 4.49Å; Q1048-W1108 HydrophobicContact CB-CH2 3.94Å; Q1048-W1108 HydrophobicContact CB-CZ2 3.71Å; Q1048-W1108 HydrophobicContact CB-CZ3 4.15Å; Q1048-W1108 HydrophobicContact CG-CD2 4.4Å; Q1048-W1108 HydrophobicContact CG-CE3 4.28Å; Q1048-W1108 HydrophobicContact CG-CZ3 4.38Å; Q1048-W1108 WeakPolarHBondContact CG-O 2.92Å; Q1048-D1110 PolarHBondContact NE2-OD1 3.44Å
1049	I	96.4	Very high	95.3	Very high	82 Å²	82	41.9 Å²	41.9	42%	0.421	21%	0.212	S	C	.	.	S	Bend	trans	-116.6	141.5	-174.2	-57.1	179.3	0	0	0	110.1	D1026 K1047 Q1051	D1026-I1049 HydrophobicContact CB-CB 3.75Å; D1026-I1049 HydrophobicContact CB-CD1 3.87Å; D1026-I1049 HydrophobicContact CB-CG1 3.75Å; D1026-I1049 PolarHBondContact O-N 2.9Å; K1047-I1049 WeakPolarHBondContact CE-O 3.21Å; K1047-I1049 WeakPolarHBondContact CG-O 3.14Å; K1047-I1049 PolarHBondContact NZ-O 2.99Å; I1049-Q1051 PolarHBondContact O-N 2.98Å
1050	T	96.6	Very high	95.2	Very high	80 Å²	80	46.7 Å²	46.7	49%	0.491	23%	0.232	S	C	.	.			trans	-66	114.8	176.4	-67.1	0	0	0	0	110.7	G1063 I1064 S1065	T1050-G1063 CarbonylContact C-O 3.6Å; T1050-G1063 WeakPolarHBondContact CA-O 3.19Å; T1050-I1064 HydrophobicContact CG2-CG1 4.36Å; T1050-S1065 PolarHBondContact OG1-N 3.05Å; T1050-S1065 VanDerWaalsContact OG1-N 3.08Å; T1050-S1065 PolarHBondContact OG1-OG 2.82Å; T1050-S1065 VanDerWaalsContact OG1-OG 3.07Å
1051	Q	94.8	Very high	95	Very high	51 Å²	51	44.8 Å²	44.8	24%	0.238	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141.9	-171.2	-147.3	-147.7	101.3	0	0	111.2	D1026 D1027 I1049 G1063 W1087	D1026-Q1051 PolarHBondContact OD1-NE2 3.09Å; D1027-Q1051 PolarHBondContact OD1-NE2 2.94Å; D1027-Q1051 VanDerWaalsContact OD1-NE2 3.14Å; I1049-Q1051 PolarHBondContact O-N 2.98Å; Q1051-G1063 PolarHBondContact N-O 2.82Å; Q1051-G1063 WeakPolarHBondContact O-CA 3.35Å; Q1051-G1063 PolarHBondContact O-N 2.88Å; Q1051-G1063 VanDerWaalsContact O-O 3.06Å; Q1051-W1087 HydrophobicContact CB-CZ2 4.2Å; Q1051-W1087 PolarHBondContact O-NE1 3.06Å; Q1051-W1087 VanDerWaalsContact O-NE1 3.1Å
1052	T	95.1	Very high	94.9	Very high	68 Å²	68	49.4 Å²	49.4	42%	0.417	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	127.9	173.8	-52.6	0	0	0	0	108.4	A1061 F1062	T1052-A1061 WeakPolarHBondContact CA-O 3.37Å; T1052-A1061 WeakPolarHBondContact CG2-O 3.24Å; T1052-F1062 HydrophobicContact CG2-CD1 3.82Å; T1052-F1062 HydrophobicContact CG2-CE1 3.85Å; T1052-F1062 WeakPolarHBondContact OG1-CD1 3.3Å
1053	Y	93.4	Very high	94.8	Very high	5 Å²	5	49.4 Å²	49.4	2%	0.02	25%	0.245	C	C	.	.			trans	-55.9	141.1	-178.5	-166.7	-119.3	0	0	0	111.1	E1055 A1061 R1083 W1087 F1159	Y1053-E1055 VanDerWaalsContact C-N 3.27Å; Y1053-E1055 HydrophobicContact CD1-CB 3.81Å; Y1053-E1055 HydrophobicContact CD1-CG 4.43Å; Y1053-E1055 HydrophobicContact CE1-CB 3.62Å; Y1053-E1055 HydrophobicContact CE1-CG 3.84Å; Y1053-E1055 PolarHBondContact O-N 2.89Å; Y1053-A1061 PolarHBondContact N-O 2.9Å; Y1053-R1083 HydrophobicContact CE1-CG 4.46Å; Y1053-R1083 WeakPolarHBondContact OH-CD 3.32Å; Y1053-W1087 AromaticContact CD2-CD2 3.53Å; Y1053-W1087 HydrophobicContact CD2-CD2 3.53Å; Y1053-W1087 AromaticContact CD2-CE2 3.85Å; Y1053-W1087 AromaticContact CD2-CE3 3.48Å; Y1053-W1087 HydrophobicContact CD2-CE3 3.48Å; Y1053-W1087 VanDerWaalsContact CD2-CE3 3.48Å; Y1053-W1087 HydrophobicContact CD2-CG 4.1Å; Y1053-W1087 AromaticContact CD2-CH2 3.96Å; Y1053-W1087 HydrophobicContact CD2-CH2 3.96Å; Y1053-W1087 HydrophobicContact CD2-CZ2 4.05Å; Y1053-W1087 AromaticContact CD2-CZ3 3.71Å; Y1053-W1087 HydrophobicContact CD2-CZ3 3.71Å; Y1053-W1087 HydrophobicContact CE2-CD2 4.42Å; Y1053-W1087 AromaticContact CE2-CE3 3.94Å; Y1053-W1087 HydrophobicContact CE2-CE3 3.94Å; Y1053-W1087 HydrophobicContact CE2-CZ3 4.01Å; Y1053-W1087 HydrophobicContact CG-CD2 4.11Å; Y1053-W1087 HydrophobicContact CG-CE3 4.45Å; Y1053-W1087 HydrophobicContact CG-CG 4.23Å; Y1053-F1159 HydrophobicContact CD2-CZ 4.33Å; Y1053-F1159 AromaticContact CE2-CE1 3.82Å; Y1053-F1159 HydrophobicContact CE2-CE1 3.82Å; Y1053-F1159 AromaticContact CE2-CZ 3.72Å; Y1053-F1159 HydrophobicContact CE2-CZ 3.72Å
1054	W	91	Very high	94.8	Very high	119 Å²	119	51.8 Å²	51.8	45%	0.451	26%	0.257	S	S	.	.	S	Bend	trans	-68.8	-24.1	-173.4	50.9	88	0	0	0	113.5	W1087 S1160	W1054-W1087 HydrophobicContact CE3-CH2 4.44Å; W1054-W1087 HydrophobicContact CH2-CH2 4.35Å; W1054-W1087 HydrophobicContact CH2-CZ3 4.32Å; W1054-W1087 AromaticContact CZ3-CH2 3.7Å; W1054-W1087 HydrophobicContact CZ3-CH2 3.7Å; W1054-W1087 HydrophobicContact CZ3-CZ3 4.11Å; W1054-S1160 WeakPolarHBondContact CH2-OG 3.27Å
1055	E	89.4	Confident	94.7	Very high	37 Å²	37	52.3 Å²	52.3	17%	0.173	26%	0.261	C	S	.	.			trans	-88.6	109.7	173.3	-59.2	-169.9	-132.2	0	0	112.7	T976 Y1053 K1057 R1083 N1084	T976-E1055 WeakPolarHBondContact CG2-OE1 3.5Å; T976-E1055 PolarHBondContact OG1-OE1 2.84Å; Y1053-E1055 VanDerWaalsContact C-N 3.27Å; Y1053-E1055 HydrophobicContact CD1-CB 3.81Å; Y1053-E1055 HydrophobicContact CD1-CG 4.43Å; Y1053-E1055 HydrophobicContact CE1-CB 3.62Å; Y1053-E1055 HydrophobicContact CE1-CG 3.84Å; Y1053-E1055 PolarHBondContact O-N 2.89Å; E1055-K1057 PolarHBondContact O-N 2.96Å; E1055-R1083 VanDerWaalsContact CD-NH1 3.32Å; E1055-R1083 IonicContact OE1-CZ 2.81Å; E1055-R1083 VanDerWaalsContact OE1-CZ 3.32Å; E1055-R1083 IonicContact OE1-NH1 3.73Å; E1055-R1083 PolarHBondContact OE1-NH1 2.99Å; E1055-R1083 IonicContact OE1-NH2 3.9Å; E1055-R1083 PolarHBondContact OE1-NH2 3.02Å; E1055-R1083 IonicContact OE2-CZ 2.72Å; E1055-R1083 IonicContact OE2-NH1 2.67Å; E1055-R1083 PolarHBondContact OE2-NH1 2.86Å; E1055-R1083 IonicContact OE2-NH2 3Å; E1055-R1083 PolarHBondContact OE2-NH2 2.88Å; E1055-N1084 PolarHBondContact O-ND2 3.11Å
1056	D	89.3	Confident	94.7	Very high	96 Å²	96	52.3 Å²	52.3	51%	0.513	26%	0.261	S	S	.	.			trans	-62.4	-2.6	171	-97.1	14.3	0	0	0	114.8	K1060	D1056-K1060 IonicContact OD1-NZ 2.76Å; D1056-K1060 PolarHBondContact OD1-NZ 2.79Å; D1056-K1060 VanDerWaalsContact OD2-CE 3.31Å; D1056-K1060 WeakPolarHBondContact OD2-CE 3.44Å; D1056-K1060 IonicContact OD2-NZ 3.92Å; D1056-K1060 PolarHBondContact OD2-NZ 2.92Å
1057	K	89.3	Confident	94.7	Very high	145 Å²	145	52 Å²	52	63%	0.63	26%	0.26	S	S	*	.	S	Bend	trans	-122.7	148.8	-178	-75	-172.9	-179.8	-178	0	111.3	E1055 S1059 R1083 N1084	E1055-K1057 PolarHBondContact O-N 2.96Å; K1057-S1059 VanDerWaalsContact C-N 3.3Å; K1057-R1083 PolarHBondContact O-NH2 3Å; K1057-N1084 PolarHBondContact O-ND2 2.79Å; K1057-N1084 PolarHBondContact O-OD1 2.9Å
1058	P	91.9	Very high	94.7	Very high	49 Å²	49	52 Å²	52	32%	0.318	26%	0.26	S	S	.	.	S	Bend	cis	-77.5	-15.6	-4.1	30.4	-33.6	0	0	0	112.2	E1080 N1081	P1058-E1080 HydrophobicContact CB-CG 4.41Å; P1058-E1080 VanDerWaalsContact CD-C 3.49Å; P1058-E1080 WeakPolarHBondContact CD-O 3.46Å; P1058-E1080 HydrophobicContact CG-CB 4.39Å; P1058-E1080 HydrophobicContact CG-CG 3.95Å; P1058-E1080 WeakPolarHBondContact CG-O 3.4Å; P1058-N1081 HydrophobicContact CG-CB 4.15Å; P1058-N1081 WeakPolarHBondContact CG-OD1 3.44Å
1059	S	93.4	Very high	94.8	Very high	47 Å²	47	50.1 Å²	50.1	33%	0.329	25%	0.251	S	S	.	.	S	Bend	trans	-142	154.6	171.8	69.7	0	0	0	0	111.2	K1057 A1061 N1084	K1057-S1059 VanDerWaalsContact C-N 3.3Å; S1059-A1061 PolarHBondContact O-N 3.48Å; S1059-N1084 PolarHBondContact O-ND2 3.47Å
1060	K	93.8	Very high	94.9	Very high	106 Å²	106	46.2 Å²	46.2	46%	0.461	23%	0.231	S	C	.	.			trans	-72	110.6	177.9	-77.7	-178.9	171.8	-74.3	0	110.8	D1056 F1062	D1056-K1060 IonicContact OD1-NZ 2.76Å; D1056-K1060 PolarHBondContact OD1-NZ 2.79Å; D1056-K1060 VanDerWaalsContact OD2-CE 3.31Å; D1056-K1060 WeakPolarHBondContact OD2-CE 3.44Å; D1056-K1060 IonicContact OD2-NZ 3.92Å; D1056-K1060 PolarHBondContact OD2-NZ 2.92Å; K1060-F1062 HydrophobicContact CB-CE2 4.04Å; K1060-F1062 HydrophobicContact CB-CZ 4.23Å
1061	A	95.6	Very high	95	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.209	C	C	.	.			trans	-93	122	179.2	0	0	0	0	0	111.9	T1052 Y1053 S1059 N1084 W1087 H1088	T1052-A1061 WeakPolarHBondContact CA-O 3.37Å; T1052-A1061 WeakPolarHBondContact CG2-O 3.24Å; Y1053-A1061 PolarHBondContact N-O 2.9Å; S1059-A1061 PolarHBondContact O-N 3.48Å; A1061-N1084 HydrophobicContact CB-CB 4.2Å; A1061-N1084 WeakPolarHBondContact CB-O 3.2Å; A1061-W1087 HydrophobicContact CB-CB 3.97Å; A1061-W1087 HydrophobicContact CB-CG 4.19Å; A1061-H1088 HydrophobicContact CB-CB 4.07Å
1062	F	96.5	Very high	95.2	Very high	97 Å²	97	40 Å²	40	43%	0.425	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	108.2	174.5	-57	-86	0	0	0	109	T1052 K1060 H1088 T1089	T1052-F1062 HydrophobicContact CG2-CD1 3.82Å; T1052-F1062 HydrophobicContact CG2-CE1 3.85Å; T1052-F1062 WeakPolarHBondContact OG1-CD1 3.3Å; K1060-F1062 HydrophobicContact CB-CE2 4.04Å; K1060-F1062 HydrophobicContact CB-CZ 4.23Å; F1062-H1088 PolarHBondContact N-ND1 2.88Å; F1062-H1088 WeakPolarHBondContact O-CA 3.18Å; F1062-H1088 PolarHBondContact O-ND1 2.94Å; F1062-T1089 PolarHBondContact O-N 3.47Å
1063	G	96.3	Very high	95.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	123.4	174.8	0	0	0	0	0	109.9	Y1028 T1050 Q1051 W1087	Y1028-G1063 WeakPolarHBondContact OH-CA 3.37Å; T1050-G1063 CarbonylContact C-O 3.6Å; T1050-G1063 WeakPolarHBondContact CA-O 3.19Å; Q1051-G1063 PolarHBondContact N-O 2.82Å; Q1051-G1063 WeakPolarHBondContact O-CA 3.35Å; Q1051-G1063 PolarHBondContact O-N 2.88Å; Q1051-G1063 VanDerWaalsContact O-O 3.06Å; G1063-W1087 WeakPolarHBondContact CA-O 3.06Å
1064	I	97.7	Very high	95.5	Very high	50 Å²	50	40.9 Å²	40.9	26%	0.256	20%	0.201	S	C	.	.			trans	-105.3	137	-179.5	-55.7	175.3	0	0	0	108.1	T1050 T1089 H1101 N1105	T1050-I1064 HydrophobicContact CG2-CG1 4.36Å; I1064-T1089 HydrophobicContact CB-CG2 4.12Å; I1064-T1089 HydrophobicContact CD1-CG2 4.19Å; I1064-T1089 HydrophobicContact CG1-CG2 4.36Å; I1064-T1089 PolarHBondContact N-OG1 3.47Å; I1064-H1101 PolarHBondContact O-CE1 2.04Å; I1064-N1105 HydrophobicContact CG2-CB 4.15Å
1065	S	97.5	Very high	95.7	Very high	16 Å²	16	40.6 Å²	40.6	11%	0.112	21%	0.213	C	C	.	.	S	Bend	trans	-60	141.8	174.5	52.1	0	0	0	0	110.9	K1047 Q1048 T1050 H1101 N1105	K1047-S1065 VanDerWaalsContact O-CA 3.29Å; K1047-S1065 WeakPolarHBondContact O-CA 3.23Å; Q1048-S1065 WeakPolarHBondContact O-CB 3.25Å; T1050-S1065 PolarHBondContact OG1-N 3.05Å; T1050-S1065 VanDerWaalsContact OG1-N 3.08Å; T1050-S1065 PolarHBondContact OG1-OG 2.82Å; T1050-S1065 VanDerWaalsContact OG1-OG 3.07Å; S1065-H1101 PolarHBondContact O-CE1 2.03Å; S1065-H1101 PolarHBondContact O-NE2 3.15Å; S1065-N1105 CarbonylContact C-O 3.56Å; S1065-N1105 CarbonylContact O-C 3.15Å; S1065-N1105 WeakPolarHBondContact O-CA 3.42Å; S1065-N1105 VanDerWaalsContact O-CB 3.28Å; S1065-N1105 WeakPolarHBondContact O-CB 3.21Å; S1065-N1105 VanDerWaalsContact O-O 3.14Å; S1065-N1105 PolarHBondContact OG-O 2.02Å
1066	G	97.1	Very high	95.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	122.1	149.5	-171.2	0	0	0	0	0	113.8	K1047 S1068 I1106	K1047-G1066 PolarHBondContact O-N 3.06Å; G1066-S1068 PolarHBondContact O-N 2.88Å; G1066-S1068 PolarHBondContact O-OG 2.03Å; G1066-I1106 VanDerWaalsContact CA-O 3.29Å; G1066-I1106 WeakPolarHBondContact CA-O 3.46Å
1067	V	98.3	Very high	96.1	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.018	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	132.5	176.3	-173.1	0	0	0	0	108.7	V1044 W1046 W1100 H1101 D1102 V1131 A1139	V1044-V1067 HydrophobicContact CG1-CG1 3.71Å; W1046-V1067 HydrophobicContact CB-CG2 4.42Å; W1046-V1067 VanDerWaalsContact CD1-N 3.32Å; W1046-V1067 HydrophobicContact CD2-CG2 3.61Å; W1046-V1067 HydrophobicContact CE3-CG2 4.1Å; W1046-V1067 HydrophobicContact CG-CB 4.46Å; W1046-V1067 HydrophobicContact CG-CG2 3.77Å; W1046-V1067 HydrophobicContact CZ2-CG2 4.25Å; V1067-W1100 HydrophobicContact CB-CH2 4.25Å; V1067-W1100 HydrophobicContact CB-CZ3 3.89Å; V1067-W1100 HydrophobicContact CG1-CZ3 3.93Å; V1067-W1100 WeakPolarHBondContact O-CZ3 3.05Å; V1067-H1101 CarbonylContact O-C 3.56Å; V1067-H1101 WeakPolarHBondContact O-CA 3.09Å; V1067-H1101 PolarHBondContact O-ND1 3.33Å; V1067-D1102 PolarHBondContact O-N 3.38Å; V1067-V1131 HydrophobicContact CG1-CG2 4.34Å; V1067-V1131 HydrophobicContact CG2-CG2 4.14Å; V1067-A1139 HydrophobicContact CG2-CB 4.4Å
1068	S	98.4	Very high	96.4	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	119.7	-178	-48.6	0	0	0	0	109.9	V1044 M1045 G1066 H1101	V1044-S1068 WeakPolarHBondContact CA-O 3.41Å; M1045-S1068 PolarHBondContact N-O 2.83Å; M1045-S1068 WeakPolarHBondContact O-CB 3.39Å; M1045-S1068 PolarHBondContact O-N 3.26Å; G1066-S1068 PolarHBondContact O-N 2.88Å; G1066-S1068 PolarHBondContact O-OG 2.03Å; S1068-H1101 PolarHBondContact OG-ND1 2.91Å
1069	L	98.8	Very high	96.4	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	121	169.5	172.1	67.4	0	0	0	108.7	F1033 V1043 V1044 L1099 W1100 I1127 V1129 V1144	F1033-L1069 HydrophobicContact CE1-CD1 3.71Å; F1033-L1069 HydrophobicContact CZ-CD1 3.81Å; V1043-L1069 WeakPolarHBondContact O-CA 3.15Å; V1044-L1069 HydrophobicContact CG2-CD1 3.84Å; L1069-L1099 HydrophobicContact CD2-CB 4.12Å; L1069-L1099 HydrophobicContact CD2-CD1 4.14Å; L1069-L1099 HydrophobicContact CG-CB 4.1Å; L1069-L1099 HydrophobicContact CG-CD1 4.11Å; L1069-L1099 HydrophobicContact CG-CG 4.48Å; L1069-L1099 PolarHBondContact O-N 2.75Å; L1069-W1100 HydrophobicContact CB-CB 4.33Å; L1069-W1100 HydrophobicContact CB-CE3 4.31Å; L1069-W1100 PolarHBondContact N-O 3.36Å; L1069-W1100 PolarHBondContact O-N 2.87Å; L1069-W1100 VanDerWaalsContact O-N 3.14Å; L1069-W1100 VanDerWaalsContact O-O 3.13Å; L1069-I1127 HydrophobicContact CD1-CG2 4.33Å; L1069-I1127 HydrophobicContact CD2-CG2 3.68Å; L1069-V1129 HydrophobicContact CD1-CG2 4.34Å; L1069-V1129 HydrophobicContact CD2-CG2 4.46Å; L1069-V1144 HydrophobicContact CD2-CB 4.3Å; L1069-V1144 HydrophobicContact CD2-CG1 4.11Å; L1069-V1144 HydrophobicContact CD2-CG2 4.15Å
1070	K	98.8	Very high	96.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	154.9	-179	-44.2	-174.2	-174.9	179.1	0	110.6	Y1042 V1043 M1045 L1086 H1088 V1096 R1097 T1098	Y1042-K1070 WeakPolarHBondContact CA-O 3.31Å; V1043-K1070 HydrophobicContact CG1-CB 3.9Å; V1043-K1070 PolarHBondContact N-O 2.88Å; V1043-K1070 PolarHBondContact O-N 3.24Å; M1045-K1070 HydrophobicContact SD-CD 3.95Å; M1045-K1070 WeakPolarHBondContact SD-CE 3.33Å; M1045-K1070 PolarHBondContact SD-NZ 3.21Å; K1070-L1086 PolarHBondContact NZ-O 2.82Å; K1070-H1088 PolarHBondContact NZ-O 3.37Å; K1070-V1096 HydrophobicContact CB-CG1 3.82Å; K1070-V1096 HydrophobicContact CD-CG1 3.81Å; K1070-V1096 HydrophobicContact CG-CG1 4.37Å; K1070-R1097 CarbonylContact C-O 3.48Å; K1070-R1097 WeakPolarHBondContact CA-O 3.37Å; K1070-T1098 HydrophobicContact CG-CG2 4.44Å
1071	V	98.6	Very high	96.4	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.3	164.3	65.6	0	0	0	0	108.9	Y1042 V1096 R1097 L1099 T1148 F1149	Y1042-V1071 HydrophobicContact CD1-CB 3.62Å; Y1042-V1071 HydrophobicContact CD1-CG2 3.55Å; Y1042-V1071 HydrophobicContact CE1-CB 3.84Å; Y1042-V1071 HydrophobicContact CE1-CG2 3.51Å; Y1042-V1071 HydrophobicContact CG-CG2 4.43Å; V1071-V1096 WeakPolarHBondContact O-CA 3.19Å; V1071-R1097 HydrophobicContact CG1-CB 3.82Å; V1071-R1097 HydrophobicContact CG1-CG 4.28Å; V1071-R1097 PolarHBondContact N-O 3.11Å; V1071-R1097 PolarHBondContact O-N 2.9Å; V1071-L1099 HydrophobicContact CB-CD1 4.36Å; V1071-L1099 HydrophobicContact CB-CD2 4.4Å; V1071-L1099 HydrophobicContact CB-CG 4.42Å; V1071-L1099 HydrophobicContact CG1-CD2 3.81Å; V1071-L1099 HydrophobicContact CG1-CG 4.29Å; V1071-T1148 HydrophobicContact CG2-CG2 4.08Å; V1071-F1149 HydrophobicContact CG2-CD2 4.06Å; V1071-F1149 HydrophobicContact CG2-CE2 3.49Å; V1071-F1149 VanDerWaalsContact CG2-CE2 3.49Å; V1071-F1149 HydrophobicContact CG2-CZ 4.3Å
1072	V	98.6	Very high	96.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126	175.3	-176.3	0	0	0	0	107.7	G1039 F1041 V1043 L1082 L1086 V1096 F1149	G1039-V1072 CarbonylContact O-C 3.59Å; F1041-V1072 HydrophobicContact CD1-CB 3.88Å; F1041-V1072 HydrophobicContact CD1-CG1 4.11Å; F1041-V1072 HydrophobicContact CD1-CG2 4.11Å; F1041-V1072 HydrophobicContact CD2-CB 4.48Å; F1041-V1072 HydrophobicContact CD2-CG2 3.97Å; F1041-V1072 HydrophobicContact CE1-CB 3.92Å; F1041-V1072 HydrophobicContact CE1-CG1 3.84Å; F1041-V1072 HydrophobicContact CE1-CG2 3.85Å; F1041-V1072 HydrophobicContact CE2-CG2 3.71Å; F1041-V1072 HydrophobicContact CG-CB 4.18Å; F1041-V1072 HydrophobicContact CG-CG2 4.18Å; F1041-V1072 HydrophobicContact CZ-CB 4.26Å; F1041-V1072 HydrophobicContact CZ-CG1 4.39Å; F1041-V1072 HydrophobicContact CZ-CG2 3.66Å; F1041-V1072 PolarHBondContact N-O 2.78Å; F1041-V1072 WeakPolarHBondContact O-CB 3.02Å; F1041-V1072 PolarHBondContact O-N 2.87Å; V1043-V1072 HydrophobicContact CG1-CG2 4.2Å; V1072-L1082 HydrophobicContact CG1-CD1 3.5Å; V1072-L1082 HydrophobicContact CG1-CD2 4.45Å; V1072-L1086 HydrophobicContact CG2-CD2 3.81Å; V1072-V1096 HydrophobicContact CG1-CG2 4.4Å; V1072-V1096 HydrophobicContact CG2-CG2 4.19Å; V1072-F1149 VanDerWaalsContact O-CE2 3.24Å; V1072-F1149 WeakPolarHBondContact O-CE2 3.45Å; V1072-F1149 WeakPolarHBondContact O-CZ 3.24Å
1073	N	97.6	Very high	96.4	Very high	73 Å²	73	26.1 Å²	26.1	39%	0.39	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	85.3	172.8	-172.7	-73.6	0	0	0	105.5	G1039 G1094 Q1095 T1148 F1149	G1039-N1073 CarbonylContact O-C 3.59Å; G1039-N1073 VanDerWaalsContact O-CA 3.24Å; G1039-N1073 WeakPolarHBondContact O-CA 3.09Å; N1073-G1094 CarbonylContact O-C 3.56Å; N1073-Q1095 CarbonylContact C-O 3.57Å; N1073-Q1095 PolarHBondContact N-O 2.95Å; N1073-Q1095 PolarHBondContact O-N 3.17Å; N1073-T1148 HydrophobicContact CB-CG2 4.47Å; N1073-F1149 HydrophobicContact CB-CZ 4.47Å
1074	S	97.4	Very high	96.4	Very high	18 Å²	18	26.1 Å²	26.1	13%	0.126	15%	0.151	C	C	.	.			trans	-95.5	112.6	-164.9	-175.8	0	0	0	0	112.3	G1039 T1076 G1077 Q1095	G1039-S1074 PolarHBondContact O-N 2.73Å; S1074-T1076 PolarHBondContact O-N 2.8Å; S1074-T1076 PolarHBondContact OG-N 3.21Å; S1074-T1076 PolarHBondContact OG-OG1 3.25Å; S1074-G1077 PolarHBondContact OG-N 3.28Å; S1074-G1077 PolarHBondContact OG-O 2.69Å; S1074-Q1095 PolarHBondContact OG-NE2 3.49Å; S1074-Q1095 VanDerWaalsContact OG-NE2 3.14Å
1075	T	95.9	Very high	96.4	Very high	113 Å²	113	23.7 Å²	23.7	69%	0.693	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	18.8	172.8	72.4	0	0	0	0	113.4	G1094	T1075-G1094 PolarHBondContact N-O 2.96Å; T1075-G1094 PolarHBondContact OG1-O 2.6Å
1076	T	94.2	Very high	96.3	Very high	69 Å²	69	23 Å²	23	42%	0.423	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-140	-3.7	-179.9	61	0	0	0	0	114.4	S1074 Q1095	S1074-T1076 PolarHBondContact O-N 2.8Å; S1074-T1076 PolarHBondContact OG-N 3.21Å; S1074-T1076 PolarHBondContact OG-OG1 3.25Å; T1076-Q1095 PolarHBondContact OG1-NE2 3.48Å; T1076-Q1095 PolarHBondContact OG1-OE1 3.09Å
1077	G	93.2	Very high	96.4	Very high	12 Å²	12	23 Å²	23	12%	0.124	13%	0.134	C	C	.	.			trans	60.5	-149.4	-164.9	0	0	0	0	0	112.3	S1074	S1074-G1077 PolarHBondContact OG-N 3.28Å; S1074-G1077 PolarHBondContact OG-O 2.69Å
1078	T	94.3	Very high	96.3	Very high	28 Å²	28	25 Å²	25	17%	0.172	14%	0.143	C	C	.	.	S	Bend	trans	-69.5	162.7	-178.8	61.1	0	0	0	0	113.9	H970 L971 S1038	H970-T1078 WeakPolarHBondContact O-CG2 3.07Å; L971-T1078 HydrophobicContact CD2-CG2 4.49Å; S1038-T1078 VanDerWaalsContact OG-CG2 3.26Å; S1038-T1078 WeakPolarHBondContact OG-CG2 3.21Å
1079	G	92.8	Very high	96.3	Very high	7 Å²	7	25.8 Å²	25.8	7%	0.072	15%	0.148	C	C	.	.	S	Bend	trans	113.9	-167.4	174.4	0	0	0	0	0	115.2	L971 D972 N1081 L1082 R1083	L971-G1079 PolarHBondContact O-N 3.03Å; D972-G1079 VanDerWaalsContact OD1-CA 3.28Å; D972-G1079 WeakPolarHBondContact OD1-CA 3.45Å; G1079-N1081 PolarHBondContact O-N 3.44Å; G1079-L1082 PolarHBondContact O-N 3.47Å; G1079-R1083 PolarHBondContact O-N 3.09Å
1080	E	93.1	Very high	96.1	Very high	87 Å²	87	26.7 Å²	26.7	41%	0.407	16%	0.157	S	C	.	.	H	α-helix	trans	-49	-33.8	-169.2	71.9	163	165	0	0	115.3	D972 P1058 N1084	D972-E1080 PolarHBondContact OD1-N 3.41Å; P1058-E1080 HydrophobicContact CB-CG 4.41Å; P1058-E1080 VanDerWaalsContact CD-C 3.49Å; P1058-E1080 WeakPolarHBondContact CD-O 3.46Å; P1058-E1080 HydrophobicContact CG-CB 4.39Å; P1058-E1080 HydrophobicContact CG-CG 3.95Å; P1058-E1080 WeakPolarHBondContact CG-O 3.4Å; E1080-N1084 WeakPolarHBondContact O-CB 3.47Å; E1080-N1084 PolarHBondContact O-N 3.2Å; E1080-N1084 PolarHBondContact O-OD1 2.87Å
1081	N	94.7	Very high	96.1	Very high	65 Å²	65	32 Å²	32	35%	0.348	19%	0.186	S	C	.	.	H	α-helix	trans	-71.6	-49.3	179.2	-63.9	-80.5	0	0	0	111.8	P1058 G1079 A1085 Q1095	P1058-N1081 HydrophobicContact CG-CB 4.15Å; P1058-N1081 WeakPolarHBondContact CG-OD1 3.44Å; G1079-N1081 PolarHBondContact O-N 3.44Å; N1081-A1085 VanDerWaalsContact O-CB 3.3Å; N1081-A1085 WeakPolarHBondContact O-CB 3.41Å; N1081-A1085 PolarHBondContact O-N 2.87Å; N1081-Q1095 PolarHBondContact O-OE1 3.17Å
1082	L	95.9	Very high	96.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-69.5	-45.3	-176.2	175.4	56.1	0	0	0	110.2	L971 S1038 V1072 G1079 N1084 A1085 L1086 Q1095 V1096	L971-L1082 HydrophobicContact CD2-CD2 4.25Å; S1038-L1082 VanDerWaalsContact O-CD2 3.31Å; S1038-L1082 WeakPolarHBondContact O-CD2 3.49Å; V1072-L1082 HydrophobicContact CG1-CD1 3.5Å; V1072-L1082 HydrophobicContact CG1-CD2 4.45Å; G1079-L1082 PolarHBondContact O-N 3.47Å; L1082-N1084 PolarHBondContact O-N 2.98Å; L1082-A1085 CarbonylContact O-C 3.57Å; L1082-A1085 WeakPolarHBondContact O-CA 3.37Å; L1082-A1085 WeakPolarHBondContact O-CB 3.21Å; L1082-A1085 PolarHBondContact O-N 2.8Å; L1082-A1085 VanDerWaalsContact O-N 3.08Å; L1082-L1086 HydrophobicContact CD1-CD1 3.98Å; L1082-L1086 HydrophobicContact CD1-CD2 4.49Å; L1082-L1086 HydrophobicContact CD1-CG 3.88Å; L1082-L1086 HydrophobicContact CG-CD1 3.83Å; L1082-L1086 HydrophobicContact CG-CG 4.25Å; L1082-L1086 WeakPolarHBondContact O-CB 3.48Å; L1082-L1086 WeakPolarHBondContact O-CG 3.07Å; L1082-L1086 PolarHBondContact O-N 3.01Å; L1082-Q1095 VanDerWaalsContact CA-OE1 3.25Å; L1082-V1096 HydrophobicContact CD1-CG2 3.79Å
1083	R	95.4	Very high	95.9	Very high	4 Å²	4	38.1 Å²	38.1	2%	0.015	23%	0.234	C	C	.	.	H	α-helix	trans	-48.6	-55.7	172.3	174.8	-168.6	73.6	176.4	12.4	113	D972 P1000 Y1053 E1055 K1057 G1079 A1085 L1086 W1087 F1159	D972-R1083 HydrophobicContact CB-CB 4.22Å; D972-R1083 HydrophobicContact CB-CG 4.42Å; D972-R1083 WeakPolarHBondContact OD2-CD 3.47Å; D972-R1083 IonicContact OD2-CZ 3.93Å; D972-R1083 IonicContact OD2-NE 2.9Å; D972-R1083 IonicContact OD2-NH1 3.36Å; D972-R1083 PolarHBondContact OD2-NH1 3.03Å; P1000-R1083 HydrophobicContact CG-CG 4.17Å; Y1053-R1083 HydrophobicContact CE1-CG 4.46Å; Y1053-R1083 WeakPolarHBondContact OH-CD 3.32Å; E1055-R1083 VanDerWaalsContact CD-NH1 3.32Å; E1055-R1083 IonicContact OE1-CZ 2.81Å; E1055-R1083 VanDerWaalsContact OE1-CZ 3.32Å; E1055-R1083 IonicContact OE1-NH1 3.73Å; E1055-R1083 PolarHBondContact OE1-NH1 2.99Å; E1055-R1083 IonicContact OE1-NH2 3.9Å; E1055-R1083 PolarHBondContact OE1-NH2 3.02Å; E1055-R1083 IonicContact OE2-CZ 2.72Å; E1055-R1083 IonicContact OE2-NH1 2.67Å; E1055-R1083 PolarHBondContact OE2-NH1 2.86Å; E1055-R1083 IonicContact OE2-NH2 3Å; E1055-R1083 PolarHBondContact OE2-NH2 2.88Å; K1057-R1083 PolarHBondContact O-NH2 3Å; G1079-R1083 PolarHBondContact O-N 3.09Å; R1083-A1085 VanDerWaalsContact C-N 3.28Å; R1083-A1085 PolarHBondContact O-N 2.53Å; R1083-L1086 PolarHBondContact O-N 3.39Å; R1083-W1087 PolarHBondContact O-N 2.84Å; R1083-F1159 HydrophobicContact CG-CE1 4.37Å; R1083-F1159 HydrophobicContact CG-CE2 4.09Å; R1083-F1159 HydrophobicContact CG-CZ 3.52Å
1084	N	95.3	Very high	95.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-68	-30.5	-179.7	-77.9	54	0	0	0	111.8	E1055 K1057 S1059 A1061 E1080 L1082 H1088	E1055-N1084 PolarHBondContact O-ND2 3.11Å; K1057-N1084 PolarHBondContact O-ND2 2.79Å; K1057-N1084 PolarHBondContact O-OD1 2.9Å; S1059-N1084 PolarHBondContact O-ND2 3.47Å; A1061-N1084 HydrophobicContact CB-CB 4.2Å; A1061-N1084 WeakPolarHBondContact CB-O 3.2Å; E1080-N1084 WeakPolarHBondContact O-CB 3.47Å; E1080-N1084 PolarHBondContact O-N 3.2Å; E1080-N1084 PolarHBondContact O-OD1 2.87Å; L1082-N1084 PolarHBondContact O-N 2.98Å; N1084-H1088 WeakPolarHBondContact O-CB 3.49Å; N1084-H1088 PolarHBondContact O-N 3.5Å
1085	A	97.6	Very high	95.8	Very high	0 Å²	0	36 Å²	36	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-69.4	-38.2	174	0	0	0	0	0	112.8	N1081 L1082 R1083 H1088 T1092 Q1095 V1096	N1081-A1085 VanDerWaalsContact O-CB 3.3Å; N1081-A1085 WeakPolarHBondContact O-CB 3.41Å; N1081-A1085 PolarHBondContact O-N 2.87Å; L1082-A1085 CarbonylContact O-C 3.57Å; L1082-A1085 WeakPolarHBondContact O-CA 3.37Å; L1082-A1085 WeakPolarHBondContact O-CB 3.21Å; L1082-A1085 PolarHBondContact O-N 2.8Å; L1082-A1085 VanDerWaalsContact O-N 3.08Å; R1083-A1085 VanDerWaalsContact C-N 3.28Å; R1083-A1085 PolarHBondContact O-N 2.53Å; A1085-H1088 PolarHBondContact O-N 2.81Å; A1085-T1092 HydrophobicContact CB-CG2 3.77Å; A1085-Q1095 HydrophobicContact CB-CB 3.52Å; A1085-Q1095 HydrophobicContact CB-CG 4.25Å; A1085-V1096 HydrophobicContact CB-CB 3.96Å; A1085-V1096 HydrophobicContact CB-CG2 3.55Å
1086	L	97.4	Very high	95.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.1	-45.9	175	-76.6	168.4	0	0	0	111.3	L971 F1041 V1043 M1045 K1070 V1072 L1082 R1083 H1088 V1096	L971-L1086 HydrophobicContact CD1-CD1 3.82Å; F1041-L1086 HydrophobicContact CZ-CD2 4.39Å; V1043-L1086 HydrophobicContact CG1-CD2 4.18Å; M1045-L1086 HydrophobicContact CE-CB 4.22Å; M1045-L1086 HydrophobicContact CE-CD2 3.86Å; K1070-L1086 PolarHBondContact NZ-O 2.82Å; V1072-L1086 HydrophobicContact CG2-CD2 3.81Å; L1082-L1086 HydrophobicContact CD1-CD1 3.98Å; L1082-L1086 HydrophobicContact CD1-CD2 4.49Å; L1082-L1086 HydrophobicContact CD1-CG 3.88Å; L1082-L1086 HydrophobicContact CG-CD1 3.83Å; L1082-L1086 HydrophobicContact CG-CG 4.25Å; L1082-L1086 WeakPolarHBondContact O-CB 3.48Å; L1082-L1086 WeakPolarHBondContact O-CG 3.07Å; L1082-L1086 PolarHBondContact O-N 3.01Å; R1083-L1086 PolarHBondContact O-N 3.39Å; L1086-H1088 VanDerWaalsContact C-N 3.25Å; L1086-H1088 PolarHBondContact O-N 2.8Å; L1086-V1096 HydrophobicContact CD2-CG2 4.26Å; L1086-V1096 HydrophobicContact CG-CG2 4.3Å
1087	W	97.2	Very high	96.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-32.1	175.3	-171.5	-76	0	0	0	112.5	D1027 Y1028 Q1051 Y1053 W1054 A1061 G1063 R1083 T1089 F1159	D1027-W1087 WeakPolarHBondContact OD1-CH2 3.27Å; D1027-W1087 WeakPolarHBondContact OD2-CH2 3.49Å; Y1028-W1087 HydrophobicContact CD2-CD2 4.21Å; Y1028-W1087 AromaticContact CD2-CE3 3.91Å; Y1028-W1087 HydrophobicContact CD2-CE3 3.91Å; Y1028-W1087 HydrophobicContact CD2-CZ3 4.29Å; Y1028-W1087 AromaticContact CE2-CD2 3.88Å; Y1028-W1087 HydrophobicContact CE2-CD2 3.88Å; Y1028-W1087 HydrophobicContact CE2-CE3 4.07Å; Y1028-W1087 HydrophobicContact CE2-CG 4.07Å; Y1028-W1087 PolarHBondContact OH-O 2.03Å; Y1028-W1087 VanDerWaalsContact OH-O 3.04Å; Q1051-W1087 HydrophobicContact CB-CZ2 4.2Å; Q1051-W1087 PolarHBondContact O-NE1 3.06Å; Q1051-W1087 VanDerWaalsContact O-NE1 3.1Å; Y1053-W1087 AromaticContact CD2-CD2 3.53Å; Y1053-W1087 HydrophobicContact CD2-CD2 3.53Å; Y1053-W1087 AromaticContact CD2-CE2 3.85Å; Y1053-W1087 AromaticContact CD2-CE3 3.48Å; Y1053-W1087 HydrophobicContact CD2-CE3 3.48Å; Y1053-W1087 VanDerWaalsContact CD2-CE3 3.48Å; Y1053-W1087 HydrophobicContact CD2-CG 4.1Å; Y1053-W1087 AromaticContact CD2-CH2 3.96Å; Y1053-W1087 HydrophobicContact CD2-CH2 3.96Å; Y1053-W1087 HydrophobicContact CD2-CZ2 4.05Å; Y1053-W1087 AromaticContact CD2-CZ3 3.71Å; Y1053-W1087 HydrophobicContact CD2-CZ3 3.71Å; Y1053-W1087 HydrophobicContact CE2-CD2 4.42Å; Y1053-W1087 AromaticContact CE2-CE3 3.94Å; Y1053-W1087 HydrophobicContact CE2-CE3 3.94Å; Y1053-W1087 HydrophobicContact CE2-CZ3 4.01Å; Y1053-W1087 HydrophobicContact CG-CD2 4.11Å; Y1053-W1087 HydrophobicContact CG-CE3 4.45Å; Y1053-W1087 HydrophobicContact CG-CG 4.23Å; W1054-W1087 HydrophobicContact CE3-CH2 4.44Å; W1054-W1087 HydrophobicContact CH2-CH2 4.35Å; W1054-W1087 HydrophobicContact CH2-CZ3 4.32Å; W1054-W1087 AromaticContact CZ3-CH2 3.7Å; W1054-W1087 HydrophobicContact CZ3-CH2 3.7Å; W1054-W1087 HydrophobicContact CZ3-CZ3 4.11Å; A1061-W1087 HydrophobicContact CB-CB 3.97Å; A1061-W1087 HydrophobicContact CB-CG 4.19Å; G1063-W1087 WeakPolarHBondContact CA-O 3.06Å; R1083-W1087 PolarHBondContact O-N 2.84Å; W1087-T1089 PolarHBondContact O-N 2.92Å; W1087-F1159 HydrophobicContact CB-CE2 3.95Å; W1087-F1159 HydrophobicContact CB-CZ 4.45Å; W1087-F1159 HydrophobicContact CE3-CD1 4.27Å; W1087-F1159 HydrophobicContact CE3-CD2 4.04Å; W1087-F1159 AromaticContact CE3-CE1 3.91Å; W1087-F1159 HydrophobicContact CE3-CE1 3.91Å; W1087-F1159 AromaticContact CE3-CE2 3.69Å; W1087-F1159 HydrophobicContact CE3-CE2 3.69Å; W1087-F1159 HydrophobicContact CE3-CG 4.32Å; W1087-F1159 AromaticContact CE3-CZ 3.6Å; W1087-F1159 HydrophobicContact CE3-CZ 3.6Å; W1087-F1159 HydrophobicContact CZ3-CD1 4.29Å; W1087-F1159 HydrophobicContact CZ3-CE1 4.09Å; W1087-F1159 HydrophobicContact CZ3-CZ 4.25Å
1088	H	98.1	Very high	96.4	Very high	45 Å²	45	32.8 Å²	32.8	21%	0.208	20%	0.195	C	C	.	.	S	Bend	trans	-74	122.1	-176.3	-171.4	19.5	0	0	0	112.4	A1061 F1062 K1070 N1084 A1085 L1086 G1090	A1061-H1088 HydrophobicContact CB-CB 4.07Å; F1062-H1088 PolarHBondContact N-ND1 2.88Å; F1062-H1088 WeakPolarHBondContact O-CA 3.18Å; F1062-H1088 PolarHBondContact O-ND1 2.94Å; K1070-H1088 PolarHBondContact NZ-O 3.37Å; N1084-H1088 WeakPolarHBondContact O-CB 3.49Å; N1084-H1088 PolarHBondContact O-N 3.5Å; A1085-H1088 PolarHBondContact O-N 2.81Å; L1086-H1088 VanDerWaalsContact C-N 3.25Å; L1086-H1088 PolarHBondContact O-N 2.8Å; H1088-G1090 PolarHBondContact O-N 3.01Å; H1088-G1090 VanDerWaalsContact O-N 3.08Å
1089	T	97.5	Very high	96.6	Very high	18 Å²	18	33.2 Å²	33.2	11%	0.11	20%	0.197	C	C	.	.	S	Bend	trans	-74.2	92.6	163.2	-53.2	0	0	0	0	109.1	F1062 I1064 W1087 H1101	F1062-T1089 PolarHBondContact O-N 3.47Å; I1064-T1089 HydrophobicContact CB-CG2 4.12Å; I1064-T1089 HydrophobicContact CD1-CG2 4.19Å; I1064-T1089 HydrophobicContact CG1-CG2 4.36Å; I1064-T1089 PolarHBondContact N-OG1 3.47Å; W1087-T1089 PolarHBondContact O-N 2.92Å; T1089-H1101 HydrophobicContact CG2-CB 4.24Å
1090	G	95.4	Very high	96.8	Very high	20 Å²	20	34.9 Å²	34.9	21%	0.206	20%	0.201	C	C	.	.	S	Bend	trans	167.5	-160	-174.8	0	0	0	0	0	113.1	H1088 T1098	H1088-G1090 PolarHBondContact O-N 3.01Å; H1088-G1090 VanDerWaalsContact O-N 3.08Å; G1090-T1098 PolarHBondContact N-OG1 3.43Å; G1090-T1098 VanDerWaalsContact O-CB 3.32Å; G1090-T1098 WeakPolarHBondContact O-CB 3.05Å; G1090-T1098 PolarHBondContact O-N 3.1Å; G1090-T1098 PolarHBondContact O-OG1 2.76Å
1091	N	98	Very high	97.1	Very high	111 Å²	111	32.4 Å²	32.4	59%	0.594	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.2	175.4	-68.9	-12.3	0	0	0	109.7	R1097 T1098	N1091-R1097 WeakPolarHBondContact OD1-CA 3.44Å; N1091-T1098 PolarHBondContact OD1-N 3Å
1092	T	97.5	Very high	97.2	Very high	26 Å²	26	29.5 Å²	29.5	16%	0.16	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	112.5	175.6	-53.5	0	0	0	0	107.9	A1085 G1094 Q1095 V1096	A1085-T1092 HydrophobicContact CB-CG2 3.77Å; T1092-G1094 PolarHBondContact O-N 3.02Å; T1092-Q1095 HydrophobicContact CG2-CB 3.98Å; T1092-Q1095 HydrophobicContact CG2-CG 4.06Å; T1092-Q1095 PolarHBondContact O-N 3.12Å; T1092-Q1095 VanDerWaalsContact O-N 3.08Å; T1092-V1096 PolarHBondContact N-O 2.85Å; T1092-V1096 PolarHBondContact O-N 2.98Å; T1092-V1096 VanDerWaalsContact O-N 3.09Å
1093	A	96.1	Very high	97.2	Very high	104 Å²	104	34.7 Å²	34.7	86%	0.86	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	127.2	-168.4	0	0	0	0	0	112.3	Q1095	A1093-Q1095 VanDerWaalsContact C-N 3.31Å
1094	G	95	Very high	97.2	Very high	34 Å²	34	40.6 Å²	40.6	35%	0.351	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	19.3	-176.3	0	0	0	0	0	114.3	N1073 T1075 T1092	N1073-G1094 CarbonylContact O-C 3.56Å; T1075-G1094 PolarHBondContact N-O 2.96Å; T1075-G1094 PolarHBondContact OG1-O 2.6Å; T1092-G1094 PolarHBondContact O-N 3.02Å
1095	Q	97.4	Very high	97.2	Very high	12 Å²	12	44 Å²	44	6%	0.056	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.4	-69.7	-178	-63	-72.2	-76.3	0	0	112	N1073 S1074 T1076 N1081 L1082 A1085 T1092 A1093	N1073-Q1095 CarbonylContact C-O 3.57Å; N1073-Q1095 PolarHBondContact N-O 2.95Å; N1073-Q1095 PolarHBondContact O-N 3.17Å; S1074-Q1095 PolarHBondContact OG-NE2 3.49Å; S1074-Q1095 VanDerWaalsContact OG-NE2 3.14Å; T1076-Q1095 PolarHBondContact OG1-NE2 3.48Å; T1076-Q1095 PolarHBondContact OG1-OE1 3.09Å; N1081-Q1095 PolarHBondContact O-OE1 3.17Å; L1082-Q1095 VanDerWaalsContact CA-OE1 3.25Å; A1085-Q1095 HydrophobicContact CB-CB 3.52Å; A1085-Q1095 HydrophobicContact CB-CG 4.25Å; T1092-Q1095 HydrophobicContact CG2-CB 3.98Å; T1092-Q1095 HydrophobicContact CG2-CG 4.06Å; T1092-Q1095 PolarHBondContact O-N 3.12Å; T1092-Q1095 VanDerWaalsContact O-N 3.08Å; A1093-Q1095 VanDerWaalsContact C-N 3.31Å
1096	V	98.4	Very high	97.1	Very high	5 Å²	5	47 Å²	47	3%	0.03	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	137.1	-171	-178.6	0	0	0	0	110.2	K1070 V1071 V1072 L1082 A1085 L1086 T1092	K1070-V1096 HydrophobicContact CB-CG1 3.82Å; K1070-V1096 HydrophobicContact CD-CG1 3.81Å; K1070-V1096 HydrophobicContact CG-CG1 4.37Å; V1071-V1096 WeakPolarHBondContact O-CA 3.19Å; V1072-V1096 HydrophobicContact CG1-CG2 4.4Å; V1072-V1096 HydrophobicContact CG2-CG2 4.19Å; L1082-V1096 HydrophobicContact CD1-CG2 3.79Å; A1085-V1096 HydrophobicContact CB-CB 3.96Å; A1085-V1096 HydrophobicContact CB-CG2 3.55Å; L1086-V1096 HydrophobicContact CD2-CG2 4.26Å; L1086-V1096 HydrophobicContact CG-CG2 4.3Å; T1092-V1096 PolarHBondContact N-O 2.85Å; T1092-V1096 PolarHBondContact O-N 2.98Å; T1092-V1096 VanDerWaalsContact O-N 3.09Å
1097	R	98.4	Very high	97.1	Very high	98 Å²	98	47.6 Å²	47.6	37%	0.37	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	116.5	175.7	171.1	170.6	63	101.8	-5.7	109.2	K1070 V1071 N1091 L1099 D1146 T1148	K1070-R1097 CarbonylContact C-O 3.48Å; K1070-R1097 WeakPolarHBondContact CA-O 3.37Å; V1071-R1097 HydrophobicContact CG1-CB 3.82Å; V1071-R1097 HydrophobicContact CG1-CG 4.28Å; V1071-R1097 PolarHBondContact N-O 3.11Å; V1071-R1097 PolarHBondContact O-N 2.9Å; N1091-R1097 WeakPolarHBondContact OD1-CA 3.44Å; R1097-L1099 HydrophobicContact CG-CD2 4.33Å; R1097-L1099 PolarHBondContact O-N 2.96Å; R1097-D1146 IonicContact CZ-OD1 3.33Å; R1097-D1146 IonicContact CZ-OD2 3.12Å; R1097-D1146 IonicContact NH1-OD2 2.79Å; R1097-D1146 PolarHBondContact NH1-OD2 3.13Å; R1097-D1146 IonicContact NH2-OD1 2.75Å; R1097-D1146 PolarHBondContact NH2-OD1 2.85Å; R1097-D1146 IonicContact NH2-OD2 3.28Å; R1097-D1146 PolarHBondContact NH2-OD2 3.08Å; R1097-T1148 PolarHBondContact NH2-OG1 3.49Å
1098	T	98.3	Very high	97.1	Very high	24 Å²	24	47.9 Å²	47.9	15%	0.147	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	117.9	171.2	-60.5	0	0	0	0	108.6	K1070 G1090 N1091 W1100 H1101	K1070-T1098 HydrophobicContact CG-CG2 4.44Å; G1090-T1098 PolarHBondContact N-OG1 3.43Å; G1090-T1098 VanDerWaalsContact O-CB 3.32Å; G1090-T1098 WeakPolarHBondContact O-CB 3.05Å; G1090-T1098 PolarHBondContact O-N 3.1Å; G1090-T1098 PolarHBondContact O-OG1 2.76Å; N1091-T1098 PolarHBondContact OD1-N 3Å; T1098-W1100 WeakPolarHBondContact CG2-O 3.05Å; T1098-H1101 HydrophobicContact CG2-CB 4.23Å
1099	L	98.4	Very high	97.1	Very high	37 Å²	37	49.9 Å²	49.9	19%	0.194	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	-42.7	176.1	-55.9	-177.4	0	0	0	110.4	Y1042 L1069 V1071 R1097 I1127 V1144 D1146	Y1042-L1099 HydrophobicContact CD1-CD1 4.12Å; Y1042-L1099 HydrophobicContact CE1-CD1 4.23Å; L1069-L1099 HydrophobicContact CD2-CB 4.12Å; L1069-L1099 HydrophobicContact CD2-CD1 4.14Å; L1069-L1099 HydrophobicContact CG-CB 4.1Å; L1069-L1099 HydrophobicContact CG-CD1 4.11Å; L1069-L1099 HydrophobicContact CG-CG 4.48Å; L1069-L1099 PolarHBondContact O-N 2.75Å; V1071-L1099 HydrophobicContact CB-CD1 4.36Å; V1071-L1099 HydrophobicContact CB-CD2 4.4Å; V1071-L1099 HydrophobicContact CB-CG 4.42Å; V1071-L1099 HydrophobicContact CG1-CD2 3.81Å; V1071-L1099 HydrophobicContact CG1-CG 4.29Å; R1097-L1099 HydrophobicContact CG-CD2 4.33Å; R1097-L1099 PolarHBondContact O-N 2.96Å; L1099-I1127 HydrophobicContact CD1-CD1 4.06Å; L1099-V1144 HydrophobicContact CB-CG1 4.04Å; L1099-V1144 HydrophobicContact CD1-CG1 4.26Å; L1099-D1146 HydrophobicContact CD1-CB 3.99Å; L1099-D1146 HydrophobicContact CD2-CB 4.43Å; L1099-D1146 WeakPolarHBondContact CD2-OD2 3.43Å
1100	W	98.6	Very high	97.1	Very high	43 Å²	43	52.2 Å²	52.2	16%	0.163	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	152.4	-179.5	174	95.8	0	0	0	110.9	V1067 L1069 T1098 D1102 A1139 V1144	V1067-W1100 HydrophobicContact CB-CH2 4.25Å; V1067-W1100 HydrophobicContact CB-CZ3 3.89Å; V1067-W1100 HydrophobicContact CG1-CZ3 3.93Å; V1067-W1100 WeakPolarHBondContact O-CZ3 3.05Å; L1069-W1100 HydrophobicContact CB-CB 4.33Å; L1069-W1100 HydrophobicContact CB-CE3 4.31Å; L1069-W1100 PolarHBondContact N-O 3.36Å; L1069-W1100 PolarHBondContact O-N 2.87Å; L1069-W1100 VanDerWaalsContact O-N 3.14Å; L1069-W1100 VanDerWaalsContact O-O 3.13Å; T1098-W1100 WeakPolarHBondContact CG2-O 3.05Å; W1100-D1102 HydrophobicContact CH2-CB 3.85Å; W1100-D1102 HydrophobicContact CZ2-CB 4.2Å; W1100-A1139 HydrophobicContact CH2-CB 4.22Å; W1100-V1144 HydrophobicContact CB-CG2 4.16Å
1101	H	98.3	Very high	97.1	Very high	35 Å²	35	56.6 Å²	56.6	16%	0.162	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	143.9	172.1	176.2	75.2	0	0	0	108.6	I1064 S1065 V1067 S1068 T1089 T1098 P1103	I1064-H1101 PolarHBondContact O-CE1 2.04Å; S1065-H1101 PolarHBondContact O-CE1 2.03Å; S1065-H1101 PolarHBondContact O-NE2 3.15Å; V1067-H1101 CarbonylContact O-C 3.56Å; V1067-H1101 WeakPolarHBondContact O-CA 3.09Å; V1067-H1101 PolarHBondContact O-ND1 3.33Å; S1068-H1101 PolarHBondContact OG-ND1 2.91Å; T1089-H1101 HydrophobicContact CG2-CB 4.24Å; T1098-H1101 HydrophobicContact CG2-CB 4.23Å; H1101-P1103 VanDerWaalsContact O-CD 3.28Å; H1101-P1103 WeakPolarHBondContact O-CD 3.22Å; H1101-P1103 VanDerWaalsContact O-N 3.14Å
1102	D	97.4	Very high	97.1	Very high	3 Å²	3	53 Å²	53	2%	0.016	29%	0.287	C	S	.	.			trans	-57.6	114.4	178.7	168.2	38.2	0	0	0	111.2	V1067 W1100 K1104 N1105 I1106	V1067-D1102 PolarHBondContact O-N 3.38Å; W1100-D1102 HydrophobicContact CH2-CB 3.85Å; W1100-D1102 HydrophobicContact CZ2-CB 4.2Å; D1102-K1104 PolarHBondContact O-N 2.86Å; D1102-K1104 VanDerWaalsContact O-N 3.09Å; D1102-K1104 WeakPolarHBondContact OD1-CB 3.42Å; D1102-K1104 VanDerWaalsContact OD1-CG 3.3Å; D1102-K1104 WeakPolarHBondContact OD1-CG 3.47Å; D1102-K1104 PolarHBondContact OD1-N 2.89Å; D1102-K1104 WeakPolarHBondContact OD2-CB 3.43Å; D1102-N1105 PolarHBondContact O-N 3.33Å; D1102-N1105 PolarHBondContact O-OD1 3.48Å; D1102-N1105 VanDerWaalsContact O-OD1 3.11Å; D1102-N1105 PolarHBondContact OD2-N 3.5Å; D1102-N1105 VanDerWaalsContact OD2-N 3.09Å; D1102-I1106 PolarHBondContact OD2-N 3.14Å
1103	P	95.3	Very high	97.1	Very high	110 Å²	110	52.2 Å²	52.2	71%	0.714	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-4.1	-178.7	31.3	-37	0	0	0	113.8	H1101	H1101-P1103 VanDerWaalsContact O-CD 3.28Å; H1101-P1103 WeakPolarHBondContact O-CD 3.22Å; H1101-P1103 VanDerWaalsContact O-N 3.14Å
1104	K	95.3	Very high	97.2	Very high	127 Å²	127	47.3 Å²	47.3	55%	0.552	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-14.4	170.5	-45.8	163	-166.1	171.3	0	111.9	D1102 I1106 M1138	D1102-K1104 PolarHBondContact O-N 2.86Å; D1102-K1104 VanDerWaalsContact O-N 3.09Å; D1102-K1104 WeakPolarHBondContact OD1-CB 3.42Å; D1102-K1104 VanDerWaalsContact OD1-CG 3.3Å; D1102-K1104 WeakPolarHBondContact OD1-CG 3.47Å; D1102-K1104 PolarHBondContact OD1-N 2.89Å; D1102-K1104 WeakPolarHBondContact OD2-CB 3.43Å; K1104-I1106 VanDerWaalsContact C-N 3.29Å; K1104-I1106 HydrophobicContact CB-CD1 3.71Å; K1104-I1106 HydrophobicContact CB-CG1 3.72Å; K1104-I1106 HydrophobicContact CD-CD1 3.62Å; K1104-I1106 HydrophobicContact CG-CD1 4.32Å; K1104-I1106 PolarHBondContact O-N 2.97Å; K1104-M1138 PolarHBondContact NZ-O 2.87Å
1105	N	96.7	Very high	97.3	Very high	72 Å²	72	46.7 Å²	46.7	39%	0.385	23%	0.229	S	C	.	.			trans	55.5	34.9	-176.3	-52.3	-3.9	0	0	0	114.1	I1064 S1065 D1102 G1107	I1064-N1105 HydrophobicContact CG2-CB 4.15Å; S1065-N1105 CarbonylContact C-O 3.56Å; S1065-N1105 CarbonylContact O-C 3.15Å; S1065-N1105 WeakPolarHBondContact O-CA 3.42Å; S1065-N1105 VanDerWaalsContact O-CB 3.28Å; S1065-N1105 WeakPolarHBondContact O-CB 3.21Å; S1065-N1105 VanDerWaalsContact O-O 3.14Å; S1065-N1105 PolarHBondContact OG-O 2.02Å; D1102-N1105 PolarHBondContact O-N 3.33Å; D1102-N1105 PolarHBondContact O-OD1 3.48Å; D1102-N1105 VanDerWaalsContact O-OD1 3.11Å; D1102-N1105 PolarHBondContact OD2-N 3.5Å; D1102-N1105 VanDerWaalsContact OD2-N 3.09Å; N1105-G1107 PolarHBondContact O-N 2.79Å
1106	I	95.6	Very high	97.4	Very high	63 Å²	63	46.6 Å²	46.6	32%	0.323	23%	0.228	S	C	.	.			trans	-80.2	113.2	-174.1	-64.3	170.5	0	0	0	110.2	W1046 G1066 D1102 K1104 M1138	W1046-I1106 PolarHBondContact NE1-O 2.91Å; G1066-I1106 VanDerWaalsContact CA-O 3.29Å; G1066-I1106 WeakPolarHBondContact CA-O 3.46Å; D1102-I1106 PolarHBondContact OD2-N 3.14Å; K1104-I1106 VanDerWaalsContact C-N 3.29Å; K1104-I1106 HydrophobicContact CB-CD1 3.71Å; K1104-I1106 HydrophobicContact CB-CG1 3.72Å; K1104-I1106 HydrophobicContact CD-CD1 3.62Å; K1104-I1106 HydrophobicContact CG-CD1 4.32Å; K1104-I1106 PolarHBondContact O-N 2.97Å; I1106-M1138 HydrophobicContact CB-SD 4.07Å; I1106-M1138 HydrophobicContact CG2-CE 4.33Å; I1106-M1138 HydrophobicContact CG2-SD 3.52Å; I1106-M1138 VanDerWaalsContact CG2-SD 3.52Å
1107	G	96.4	Very high	97.3	Very high	12 Å²	12	49.4 Å²	49.4	12%	0.124	24%	0.241	C	C	.	.			trans	-67.8	162.4	169.1	0	0	0	0	0	113.3	K1047 Q1048 N1105	K1047-G1107 VanDerWaalsContact O-CA 3.3Å; K1047-G1107 WeakPolarHBondContact O-CA 3.32Å; Q1048-G1107 WeakPolarHBondContact O-CA 3Å; N1105-G1107 PolarHBondContact O-N 2.79Å
1108	W	97.6	Very high	97.3	Very high	6 Å²	6	44.7 Å²	44.7	2%	0.023	22%	0.223	C	C	.	.			trans	-64.2	177.6	165.3	50.6	-102.2	0	0	0	110.7	M1018 V1020 D1027 W1046 Q1048 Y1114 Q1161	M1018-W1108 HydrophobicContact CE-CB 3.73Å; M1018-W1108 HydrophobicContact CE-CG 3.83Å; V1020-W1108 HydrophobicContact CB-CE3 4.12Å; V1020-W1108 HydrophobicContact CB-CH2 4.34Å; V1020-W1108 HydrophobicContact CB-CZ3 3.83Å; V1020-W1108 HydrophobicContact CG1-CH2 3.89Å; V1020-W1108 HydrophobicContact CG1-CZ3 3.74Å; V1020-W1108 HydrophobicContact CG2-CD2 4.17Å; V1020-W1108 HydrophobicContact CG2-CE3 3.91Å; V1020-W1108 HydrophobicContact CG2-CH2 4.18Å; V1020-W1108 HydrophobicContact CG2-CZ2 4.37Å; V1020-W1108 HydrophobicContact CG2-CZ3 3.91Å; D1027-W1108 WeakPolarHBondContact O-CZ2 2.96Å; D1027-W1108 PolarHBondContact O-NE1 2.75Å; W1046-W1108 HydrophobicContact CD2-CB 3.97Å; W1046-W1108 AromaticContact CD2-CD1 3.92Å; W1046-W1108 HydrophobicContact CD2-CG 4.39Å; W1046-W1108 VanDerWaalsContact CE2-N 3.34Å; W1046-W1108 HydrophobicContact CE3-CB 4.08Å; W1046-W1108 AromaticContact CG-CD1 3.78Å; W1046-W1108 HydrophobicContact CH2-CB 3.98Å; W1046-W1108 HydrophobicContact CZ2-CB 3.88Å; W1046-W1108 HydrophobicContact CZ3-CB 4.07Å; W1046-W1108 PolarHBondContact O-NE1 3.45Å; W1046-W1108 VanDerWaalsContact O-NE1 3.14Å; Q1048-W1108 HydrophobicContact CB-CD2 3.85Å; Q1048-W1108 HydrophobicContact CB-CE3 4.1Å; Q1048-W1108 HydrophobicContact CB-CG 4.49Å; Q1048-W1108 HydrophobicContact CB-CH2 3.94Å; Q1048-W1108 HydrophobicContact CB-CZ2 3.71Å; Q1048-W1108 HydrophobicContact CB-CZ3 4.15Å; Q1048-W1108 HydrophobicContact CG-CD2 4.4Å; Q1048-W1108 HydrophobicContact CG-CE3 4.28Å; Q1048-W1108 HydrophobicContact CG-CZ3 4.38Å; Q1048-W1108 WeakPolarHBondContact CG-O 2.92Å; W1108-Y1114 HydrophobicContact CB-CD2 4.34Å; W1108-Y1114 HydrophobicContact CB-CE2 3.78Å; W1108-Q1161 HydrophobicContact CZ2-CG 4.26Å; W1108-Q1161 VanDerWaalsContact CZ2-OE1 3.29Å
1109	K	97.4	Very high	97.3	Very high	87 Å²	87	44.9 Å²	44.9	38%	0.378	22%	0.223	S	C	.	.			trans	-131.7	145.4	179.2	-62.7	162	-172.9	152.5	0	109.5	T1112 Y1114 E1133	K1109-T1112 HydrophobicContact CB-CG2 4.48Å; K1109-T1112 WeakPolarHBondContact CB-OG1 3.32Å; K1109-T1112 HydrophobicContact CD-CG2 4.46Å; K1109-T1112 WeakPolarHBondContact O-CB 3.19Å; K1109-T1112 PolarHBondContact O-N 3.24Å; K1109-Y1114 WeakPolarHBondContact CB-OH 3.21Å; K1109-Y1114 WeakPolarHBondContact CD-OH 3.3Å; K1109-Y1114 VanDerWaalsContact CG-OH 3.32Å; K1109-Y1114 WeakPolarHBondContact CG-OH 3.45Å; K1109-Y1114 PolarHBondContact N-OH 3.12Å; K1109-Y1114 VanDerWaalsContact N-OH 3.11Å; K1109-E1133 IonicContact NZ-OE1 3.15Å; K1109-E1133 PolarHBondContact NZ-OE1 2.83Å; K1109-E1133 IonicContact NZ-OE2 3.45Å; K1109-E1133 PolarHBondContact NZ-OE2 3.37Å
1110	D	97.2	Very high	97.2	Very high	68 Å²	68	43.2 Å²	43.2	36%	0.364	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.4	139.4	168.7	-26.6	-35.1	0	0	0	110.3	Q1048 T1112	Q1048-D1110 PolarHBondContact NE2-OD1 3.44Å; D1110-T1112 PolarHBondContact O-N 2.95Å; D1110-T1112 VanDerWaalsContact O-N 3.07Å; D1110-T1112 PolarHBondContact O-OG1 3.1Å
1111	Y	96.7	Very high	97.1	Very high	112 Å²	112	42.7 Å²	42.7	44%	0.439	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	36.6	173.4	-50.4	-77.1	0	0	0	114.5	Y1019 V1020 N1021 T1022 D1023	Y1019-Y1111 HydrophobicContact CE1-CD1 4.42Å; V1020-Y1111 PolarHBondContact O-N 2.97Å; N1021-Y1111 WeakPolarHBondContact O-CE1 2.95Å; N1021-Y1111 WeakPolarHBondContact OD1-CD1 3.41Å; N1021-Y1111 WeakPolarHBondContact OD1-CE1 3.27Å; T1022-Y1111 WeakPolarHBondContact CA-OH 3.19Å; D1023-Y1111 HydrophobicContact CB-CE2 4.18Å; D1023-Y1111 PolarHBondContact N-OH 2.87Å
1112	T	96.9	Very high	96.9	Very high	35 Å²	35	41.1 Å²	41.1	22%	0.215	21%	0.205	C	C	.	.			trans	-128.5	129.9	-177	-55.8	0	0	0	0	110.6	K1109 D1110 Y1114 E1133	K1109-T1112 HydrophobicContact CB-CG2 4.48Å; K1109-T1112 WeakPolarHBondContact CB-OG1 3.32Å; K1109-T1112 HydrophobicContact CD-CG2 4.46Å; K1109-T1112 WeakPolarHBondContact O-CB 3.19Å; K1109-T1112 PolarHBondContact O-N 3.24Å; D1110-T1112 PolarHBondContact O-N 2.95Å; D1110-T1112 VanDerWaalsContact O-N 3.07Å; D1110-T1112 PolarHBondContact O-OG1 3.1Å; T1112-Y1114 HydrophobicContact CG2-CE1 3.97Å; T1112-Y1114 HydrophobicContact CG2-CE2 3.81Å; T1112-Y1114 VanDerWaalsContact CG2-CZ 3.49Å; T1112-Y1114 VanDerWaalsContact O-CD2 3.28Å; T1112-Y1114 WeakPolarHBondContact O-CD2 3.35Å; T1112-Y1114 WeakPolarHBondContact O-CE2 3.45Å; T1112-E1133 HydrophobicContact CG2-CG 4.32Å
1113	A	97.5	Very high	96.6	Very high	9 Å²	9	46.8 Å²	46.8	7%	0.074	23%	0.23	C	C	.	.			trans	-83.4	137.4	179.4	0	0	0	0	0	113.5	D700 L701 T1017 Y1019	D700-A1113 VanDerWaalsContact C-CB 3.49Å; D700-A1113 WeakPolarHBondContact O-CB 3.01Å; L701-A1113 HydrophobicContact CB-CB 4.43Å; L701-A1113 HydrophobicContact CD1-CB 4.05Å; L701-A1113 HydrophobicContact CG-CB 3.97Å; T1017-A1113 HydrophobicContact CG2-CB 4.47Å; Y1019-A1113 HydrophobicContact CD2-CB 4.06Å
1114	Y	98.1	Very high	96.5	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	117.5	177.3	-58.3	-76.5	0	0	0	112.4	T1017 M1018 W1046 W1108 K1109 T1112 Y1132 E1133 M1138	T1017-Y1114 CarbonylContact C-O 3.51Å; T1017-Y1114 WeakPolarHBondContact CA-O 2.93Å; M1018-Y1114 HydrophobicContact CE-CD2 4.19Å; M1018-Y1114 PolarHBondContact N-O 3.38Å; M1018-Y1114 PolarHBondContact O-N 3.47Å; W1046-Y1114 AromaticContact CH2-CD1 3.55Å; W1046-Y1114 HydrophobicContact CH2-CD1 3.55Å; W1046-Y1114 AromaticContact CH2-CD2 3.89Å; W1046-Y1114 HydrophobicContact CH2-CD2 3.89Å; W1046-Y1114 AromaticContact CH2-CE1 3.7Å; W1046-Y1114 HydrophobicContact CH2-CE1 3.7Å; W1046-Y1114 HydrophobicContact CH2-CE2 4.02Å; W1046-Y1114 AromaticContact CH2-CG 3.62Å; W1046-Y1114 HydrophobicContact CH2-CG 3.62Å; W1046-Y1114 AromaticContact CH2-CZ 3.91Å; W1046-Y1114 AromaticContact CZ3-CD1 3.97Å; W1046-Y1114 HydrophobicContact CZ3-CD1 3.97Å; W1046-Y1114 AromaticContact CZ3-CD2 3.77Å; W1046-Y1114 HydrophobicContact CZ3-CD2 3.77Å; W1046-Y1114 HydrophobicContact CZ3-CE1 4.48Å; W1046-Y1114 HydrophobicContact CZ3-CE2 4.29Å; W1046-Y1114 AromaticContact CZ3-CG 3.56Å; W1046-Y1114 HydrophobicContact CZ3-CG 3.56Å; W1108-Y1114 HydrophobicContact CB-CD2 4.34Å; W1108-Y1114 HydrophobicContact CB-CE2 3.78Å; K1109-Y1114 WeakPolarHBondContact CB-OH 3.21Å; K1109-Y1114 WeakPolarHBondContact CD-OH 3.3Å; K1109-Y1114 VanDerWaalsContact CG-OH 3.32Å; K1109-Y1114 WeakPolarHBondContact CG-OH 3.45Å; K1109-Y1114 PolarHBondContact N-OH 3.12Å; K1109-Y1114 VanDerWaalsContact N-OH 3.11Å; T1112-Y1114 HydrophobicContact CG2-CE1 3.97Å; T1112-Y1114 HydrophobicContact CG2-CE2 3.81Å; T1112-Y1114 VanDerWaalsContact CG2-CZ 3.49Å; T1112-Y1114 VanDerWaalsContact O-CD2 3.28Å; T1112-Y1114 WeakPolarHBondContact O-CD2 3.35Å; T1112-Y1114 WeakPolarHBondContact O-CE2 3.45Å; Y1114-Y1132 WeakPolarHBondContact CA-O 3.42Å; Y1114-Y1132 WeakPolarHBondContact CD1-O 3.36Å; Y1114-E1133 HydrophobicContact CD1-CB 3.96Å; Y1114-E1133 HydrophobicContact CD1-CG 4.23Å; Y1114-E1133 HydrophobicContact CE1-CB 3.76Å; Y1114-E1133 HydrophobicContact CE1-CG 3.67Å; Y1114-M1138 HydrophobicContact CD1-CE 3.85Å; Y1114-M1138 HydrophobicContact CE1-CE 3.29Å
1115	R	98.3	Very high	96.4	Very high	21 Å²	21	38.7 Å²	38.7	8%	0.079	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	128	171.2	-165.9	76.5	-174.4	-166.8	1.9	110	T686 L701 S1015 G1016 T1017 V1131 Y1132 D1168	T686-R1115 HydrophobicContact CG2-CB 3.4Å; T686-R1115 HydrophobicContact CG2-CG 3.87Å; L701-R1115 HydrophobicContact CD1-CB 3.98Å; L701-R1115 PolarHBondContact O-NH1 3.02Å; S1015-R1115 PolarHBondContact OG-NH2 2.95Å; G1016-R1115 CarbonylContact O-C 3.38Å; G1016-R1115 WeakPolarHBondContact O-CA 3.25Å; G1016-R1115 WeakPolarHBondContact O-CD 3.38Å; T1017-R1115 WeakPolarHBondContact OG1-CD 3.22Å; T1017-R1115 PolarHBondContact OG1-NH1 3.16Å; R1115-V1131 WeakPolarHBondContact O-CA 3.38Å; R1115-Y1132 HydrophobicContact CB-CD2 4.37Å; R1115-Y1132 PolarHBondContact N-O 3.45Å; R1115-Y1132 PolarHBondContact O-N 3.41Å; R1115-D1168 VanDerWaalsContact CZ-O 3.29Å; R1115-D1168 IonicContact CZ-OD2 3.29Å; R1115-D1168 VanDerWaalsContact CZ-OD2 3.31Å; R1115-D1168 PolarHBondContact NH1-O 3.46Å; R1115-D1168 VanDerWaalsContact NH1-O 3.17Å; R1115-D1168 IonicContact NH1-OD2 3.48Å; R1115-D1168 PolarHBondContact NH1-OD2 2.94Å; R1115-D1168 PolarHBondContact NH2-O 3.36Å; R1115-D1168 IonicContact NH2-OD2 2.84Å; R1115-D1168 PolarHBondContact NH2-OD2 2.04Å; R1115-D1168 VanDerWaalsContact NH2-OD2 3.12Å
1116	W	98.3	Very high	96.4	Very high	9 Å²	9	37 Å²	37	3%	0.034	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	154.9	162.9	73.7	81.3	0	0	0	111.2	F1014 S1015 G1016 M1018 F1031 V1130 V1131 L1156 F1166 L1169	F1014-W1116 AromaticContact CD1-NE1 3.84Å; F1014-W1116 HydrophobicContact CE1-CZ2 4.12Å; F1014-W1116 AromaticContact CE1-NE1 3.83Å; F1014-W1116 AromaticContact CZ-CZ2 3.97Å; F1014-W1116 HydrophobicContact CZ-CZ2 3.97Å; S1015-W1116 VanDerWaalsContact CA-O 3.27Å; S1015-W1116 WeakPolarHBondContact CA-O 2.94Å; S1015-W1116 VanDerWaalsContact CB-O 3.25Å; S1015-W1116 WeakPolarHBondContact CB-O 3.5Å; G1016-W1116 VanDerWaalsContact C-CE3 3.48Å; G1016-W1116 PolarHBondContact N-O 3.08Å; G1016-W1116 VanDerWaalsContact O-CD2 3.25Å; G1016-W1116 PolarHBondContact O-N 3.14Å; M1018-W1116 HydrophobicContact CB-CE3 4.04Å; M1018-W1116 HydrophobicContact CB-CZ3 3.88Å; F1031-W1116 HydrophobicContact CB-CZ2 4.49Å; F1031-W1116 AromaticContact CD1-CD1 3.79Å; F1031-W1116 AromaticContact CD1-CD2 3.71Å; F1031-W1116 HydrophobicContact CD1-CD2 3.71Å; F1031-W1116 AromaticContact CD1-CE2 3.66Å; F1031-W1116 HydrophobicContact CD1-CE3 4.34Å; F1031-W1116 AromaticContact CD1-CG 3.8Å; F1031-W1116 HydrophobicContact CD1-CG 3.8Å; F1031-W1116 HydrophobicContact CD1-CZ2 4.27Å; F1031-W1116 AromaticContact CD1-NE1 3.69Å; F1031-W1116 HydrophobicContact CE1-CB 3.73Å; F1031-W1116 AromaticContact CE1-CD1 3.27Å; F1031-W1116 AromaticContact CE1-CD2 3.74Å; F1031-W1116 HydrophobicContact CE1-CD2 3.74Å; F1031-W1116 AromaticContact CE1-CE2 3.97Å; F1031-W1116 AromaticContact CE1-CG 3.3Å; F1031-W1116 HydrophobicContact CE1-CG 3.3Å; F1031-W1116 AromaticContact CE1-NE1 3.67Å; F1031-W1116 HydrophobicContact CZ-CB 4.36Å; F1031-W1116 AromaticContact CZ-CD1 3.5Å; F1031-W1116 VanDerWaalsContact CZ-CD1 3.5Å; F1031-W1116 AromaticContact CZ-CG 3.96Å; F1031-W1116 HydrophobicContact CZ-CG 3.96Å; F1031-W1116 AromaticContact CZ-NE1 3.98Å; W1116-V1130 CarbonylContact C-O 3.58Å; W1116-V1130 WeakPolarHBondContact CA-O 3.44Å; W1116-V1131 HydrophobicContact CB-CG2 4.42Å; W1116-L1156 HydrophobicContact CH2-CD2 4.16Å; W1116-L1156 HydrophobicContact CZ2-CD2 4.24Å; W1116-F1166 HydrophobicContact CH2-CB 4.27Å; W1116-F1166 AromaticContact CH2-CD1 3.77Å; W1116-F1166 HydrophobicContact CH2-CD1 3.77Å; W1116-F1166 AromaticContact CZ3-CD1 3.92Å; W1116-F1166 HydrophobicContact CZ3-CD1 3.92Å; W1116-L1169 HydrophobicContact CH2-CD2 3.66Å; W1116-L1169 HydrophobicContact CZ2-CD2 3.66Å
1117	H	97.8	Very high	96.5	Very high	64 Å²	64	34 Å²	34	30%	0.296	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	111.8	168	-167.1	-46.4	0	0	0	109	V1129 V1130	H1117-V1129 WeakPolarHBondContact O-CA 3.06Å; H1117-V1130 PolarHBondContact N-O 2.73Å; H1117-V1130 PolarHBondContact O-N 3.46Å
1118	L	98.3	Very high	96.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	144	167.2	177	69.6	0	0	0	109.4	D1013 F1014 F1031 F1033 H1120 I1127 R1128 V1129	D1013-L1118 WeakPolarHBondContact CA-O 3.16Å; F1014-L1118 HydrophobicContact CB-CB 4.24Å; F1014-L1118 HydrophobicContact CB-CD2 4.19Å; F1014-L1118 PolarHBondContact N-O 3.02Å; F1014-L1118 WeakPolarHBondContact O-CB 3.21Å; F1014-L1118 PolarHBondContact O-N 2.92Å; F1031-L1118 HydrophobicContact CE2-CB 4.05Å; F1031-L1118 HydrophobicContact CE2-CD2 4.27Å; F1031-L1118 HydrophobicContact CZ-CB 4.29Å; F1033-L1118 HydrophobicContact CB-CD2 3.48Å; F1033-L1118 VanDerWaalsContact CB-CD2 3.48Å; F1033-L1118 HydrophobicContact CD1-CD1 3.9Å; F1033-L1118 HydrophobicContact CD1-CD2 3.63Å; F1033-L1118 HydrophobicContact CD1-CG 4.42Å; F1033-L1118 HydrophobicContact CD2-CD1 4.29Å; F1033-L1118 HydrophobicContact CD2-CD2 3.75Å; F1033-L1118 HydrophobicContact CE1-CD1 3.65Å; F1033-L1118 HydrophobicContact CE1-CD2 4.26Å; F1033-L1118 HydrophobicContact CE2-CD1 4.07Å; F1033-L1118 HydrophobicContact CE2-CD2 4.36Å; F1033-L1118 HydrophobicContact CG-CD1 4.21Å; F1033-L1118 HydrophobicContact CG-CD2 3.33Å; F1033-L1118 HydrophobicContact CG-CG 4.42Å; F1033-L1118 HydrophobicContact CZ-CD1 3.73Å; L1118-H1120 HydrophobicContact CD2-CB 4.26Å; L1118-H1120 HydrophobicContact CG-CB 4.31Å; L1118-I1127 HydrophobicContact CD1-CG2 4.14Å; L1118-R1128 CarbonylContact C-O 3.46Å; L1118-R1128 WeakPolarHBondContact CA-O 3.11Å; L1118-V1129 HydrophobicContact CD1-CG2 3.95Å
1119	I	97.3	Very high	96.7	Very high	28 Å²	28	34.9 Å²	34.9	14%	0.144	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	115.3	163	-59.3	176	0	0	0	107	D1013 F1126 I1127 R1128	D1013-I1119 VanDerWaalsContact OD1-CA 3.22Å; D1013-I1119 WeakPolarHBondContact OD1-CA 3.4Å; D1013-I1119 WeakPolarHBondContact OD1-CB 3.45Å; D1013-I1119 WeakPolarHBondContact OD1-CG1 3.41Å; D1013-I1119 WeakPolarHBondContact OD1-CG2 3.45Å; I1119-F1126 HydrophobicContact CB-CE1 4.14Å; I1119-F1126 HydrophobicContact CG2-CD1 4.03Å; I1119-F1126 HydrophobicContact CG2-CE1 3.65Å; I1119-I1127 CarbonylContact O-C 3.46Å; I1119-I1127 WeakPolarHBondContact O-CA 3.28Å; I1119-R1128 HydrophobicContact CB-CB 4.34Å; I1119-R1128 PolarHBondContact N-O 2.86Å; I1119-R1128 PolarHBondContact O-N 2.96Å
1120	H	97.1	Very high	96.7	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.009	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	123.7	-178.6	-169.1	-153.1	0	0	0	111.3	V1012 F1033 Y1042 L1118 F1126	V1012-H1120 HydrophobicContact CG1-CB 4.19Å; V1012-H1120 PolarHBondContact N-O 3.41Å; V1012-H1120 PolarHBondContact O-N 3.23Å; F1033-H1120 HydrophobicContact CD2-CB 4.33Å; F1033-H1120 AromaticContact CD2-CE1 3.71Å; F1033-H1120 AromaticContact CD2-CG 3.84Å; F1033-H1120 AromaticContact CD2-ND1 3.47Å; F1033-H1120 WeakPolarHBondContact CD2-ND1 3.4Å; F1033-H1120 HydrophobicContact CE2-CB 4.39Å; F1033-H1120 AromaticContact CE2-CD2 3.84Å; F1033-H1120 AromaticContact CE2-CE1 3.75Å; F1033-H1120 AromaticContact CE2-CG 3.8Å; F1033-H1120 AromaticContact CE2-ND1 3.78Å; F1033-H1120 AromaticContact CE2-NE2 3.82Å; Y1042-H1120 AromaticContact CE2-CE1 3.71Å; Y1042-H1120 AromaticContact CE2-NE2 3.65Å; L1118-H1120 HydrophobicContact CD2-CB 4.26Å; L1118-H1120 HydrophobicContact CG-CB 4.31Å; H1120-F1126 WeakPolarHBondContact CA-O 3.43Å
1121	R	96	Very high	96.7	Very high	31 Å²	31	28.1 Å²	28.1	12%	0.117	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	74.6	177.1	-56.2	-64.9	-179.7	-74.4	-8.7	111	V1012 D1013 K1123 T1124 G1125 F1126 R1174	V1012-R1121 PolarHBondContact O-NH1 2.99Å; V1012-R1121 VanDerWaalsContact O-NH1 3.08Å; D1013-R1121 IonicContact OD1-CZ 3.31Å; D1013-R1121 VanDerWaalsContact OD1-CZ 3.23Å; D1013-R1121 IonicContact OD1-NH1 2.7Å; D1013-R1121 PolarHBondContact OD1-NH1 3.1Å; D1013-R1121 IonicContact OD1-NH2 3.76Å; D1013-R1121 PolarHBondContact OD1-NH2 3.35Å; D1013-R1121 IonicContact OD2-CZ 3.24Å; D1013-R1121 IonicContact OD2-NH1 2.77Å; D1013-R1121 IonicContact OD2-NH2 2.71Å; D1013-R1121 PolarHBondContact OD2-NH2 3.31Å; R1121-K1123 VanDerWaalsContact C-N 3.29Å; R1121-K1123 PolarHBondContact O-N 3.06Å; R1121-T1124 PolarHBondContact O-N 3.18Å; R1121-T1124 PolarHBondContact O-OG1 3.02Å; R1121-G1125 PolarHBondContact O-N 2.88Å; R1121-F1126 HydrophobicContact CB-CB 4.29Å; R1121-F1126 PolarHBondContact N-O 2.86Å; R1121-F1126 PolarHBondContact O-N 3.08Å; R1121-R1174 VanDerWaalsContact CD-O 3.27Å; R1121-R1174 WeakPolarHBondContact CD-O 3.34Å; R1121-R1174 PolarHBondContact NE-O 2.87Å; R1121-R1174 VanDerWaalsContact NH2-CB 3.25Å
1122	P	94.4	Very high	96.7	Very high	3 Å²	3	25 Å²	25	2%	0.019	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-34.5	-171.6	-20.5	26.2	0	0	0	115.5	N1010 T1124 G1125 K1147 A1150	N1010-P1122 WeakPolarHBondContact O-CD 3.36Å; N1010-P1122 VanDerWaalsContact O-CG 3.26Å; N1010-P1122 WeakPolarHBondContact O-CG 3.31Å; P1122-T1124 CarbonylContact O-C 3.34Å; P1122-T1124 PolarHBondContact O-N 2.62Å; P1122-G1125 PolarHBondContact O-N 2.78Å; P1122-K1147 PolarHBondContact O-NZ 3.27Å; P1122-A1150 WeakPolarHBondContact CB-O 3.48Å; P1122-A1150 WeakPolarHBondContact CG-O 3.32Å
1123	K	91	Very high	96.7	Very high	121 Å²	121	26.5 Å²	26.5	53%	0.526	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-36.1	172.1	-70.1	173.5	178.5	168.3	0	111.8	R1121 K1147 D1175	R1121-K1123 VanDerWaalsContact C-N 3.29Å; R1121-K1123 PolarHBondContact O-N 3.06Å; K1123-K1147 PolarHBondContact O-NZ 3.14Å; K1123-D1175 WeakPolarHBondContact CE-OD1 3.39Å; K1123-D1175 IonicContact NZ-OD1 3.15Å; K1123-D1175 PolarHBondContact NZ-OD1 2.99Å
1124	T	92.6	Very high	96.3	Very high	67 Å²	67	27.1 Å²	27.1	41%	0.411	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-21.3	169	67.4	0	0	0	0	114.5	R1121 P1122 F1126 K1147	R1121-T1124 PolarHBondContact O-N 3.18Å; R1121-T1124 PolarHBondContact O-OG1 3.02Å; P1122-T1124 CarbonylContact O-C 3.34Å; P1122-T1124 PolarHBondContact O-N 2.62Å; T1124-F1126 VanDerWaalsContact C-N 3.35Å; T1124-F1126 VanDerWaalsContact OG1-CB 3.3Å; T1124-F1126 WeakPolarHBondContact OG1-CB 3.4Å; T1124-F1126 PolarHBondContact OG1-N 3.19Å; T1124-K1147 WeakPolarHBondContact O-CE 3.36Å
1125	G	93.4	Very high	96	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	9.8	-171.2	0	0	0	0	0	114	R1121 P1122 I1127 Y1145 D1146	R1121-G1125 PolarHBondContact O-N 2.88Å; P1122-G1125 PolarHBondContact O-N 2.78Å; G1125-I1127 PolarHBondContact O-N 3.29Å; G1125-Y1145 CarbonylContact O-C 3.41Å; G1125-Y1145 VanDerWaalsContact O-CA 3.27Å; G1125-Y1145 WeakPolarHBondContact O-CA 3.48Å; G1125-D1146 CarbonylContact C-O 3.58Å; G1125-D1146 WeakPolarHBondContact CA-O 3.4Å; G1125-D1146 PolarHBondContact O-N 3.38Å
1126	F	97	Very high	95.8	Very high	38 Å²	38	36.7 Å²	36.7	17%	0.167	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	128.7	-179.3	179.8	-80.6	0	0	0	110.9	I1119 H1120 R1121 T1124 R1128 P1143 Y1145	I1119-F1126 HydrophobicContact CB-CE1 4.14Å; I1119-F1126 HydrophobicContact CG2-CD1 4.03Å; I1119-F1126 HydrophobicContact CG2-CE1 3.65Å; H1120-F1126 WeakPolarHBondContact CA-O 3.43Å; R1121-F1126 HydrophobicContact CB-CB 4.29Å; R1121-F1126 PolarHBondContact N-O 2.86Å; R1121-F1126 PolarHBondContact O-N 3.08Å; T1124-F1126 VanDerWaalsContact C-N 3.35Å; T1124-F1126 VanDerWaalsContact OG1-CB 3.3Å; T1124-F1126 WeakPolarHBondContact OG1-CB 3.4Å; T1124-F1126 PolarHBondContact OG1-N 3.19Å; F1126-R1128 HydrophobicContact CE1-CB 3.73Å; F1126-R1128 HydrophobicContact CZ-CB 3.97Å; F1126-P1143 HydrophobicContact CD2-CB 4.26Å; F1126-P1143 HydrophobicContact CE2-CB 3.66Å; F1126-P1143 HydrophobicContact CZ-CB 4.36Å; F1126-Y1145 HydrophobicContact CB-CD1 4.46Å; F1126-Y1145 HydrophobicContact CB-CE1 4.1Å; F1126-Y1145 HydrophobicContact CD2-CE1 4.01Å; F1126-Y1145 AromaticContact CD2-CZ 3.91Å
1127	I	98.3	Very high	95.6	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	133.6	170	-61.4	162.3	0	0	0	107.8	F1033 Y1042 L1069 L1099 L1118 I1119 G1125 V1129 V1144 D1146	F1033-I1127 HydrophobicContact CE2-CD1 4.25Å; F1033-I1127 HydrophobicContact CE2-CG1 4.23Å; F1033-I1127 HydrophobicContact CE2-CG2 4.42Å; F1033-I1127 HydrophobicContact CZ-CD1 4.19Å; F1033-I1127 HydrophobicContact CZ-CG1 4.32Å; F1033-I1127 HydrophobicContact CZ-CG2 3.84Å; Y1042-I1127 HydrophobicContact CD1-CD1 4.12Å; Y1042-I1127 HydrophobicContact CE1-CD1 3.88Å; L1069-I1127 HydrophobicContact CD1-CG2 4.33Å; L1069-I1127 HydrophobicContact CD2-CG2 3.68Å; L1099-I1127 HydrophobicContact CD1-CD1 4.06Å; L1118-I1127 HydrophobicContact CD1-CG2 4.14Å; I1119-I1127 CarbonylContact O-C 3.46Å; I1119-I1127 WeakPolarHBondContact O-CA 3.28Å; G1125-I1127 PolarHBondContact O-N 3.29Å; I1127-V1129 HydrophobicContact CG2-CG2 4.41Å; I1127-V1144 HydrophobicContact CB-CB 4.22Å; I1127-V1144 PolarHBondContact N-O 3.21Å; I1127-V1144 WeakPolarHBondContact O-CA 3.04Å; I1127-V1144 WeakPolarHBondContact O-CB 3.04Å; I1127-V1144 PolarHBondContact O-N 2.03Å; I1127-D1146 HydrophobicContact CD1-CB 3.98Å
1128	R	98.1	Very high	95.4	Very high	34 Å²	34	38 Å²	38	13%	0.128	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	139.8	163.6	-175	179.2	-177.3	-160.1	3.9	110.2	L1118 I1119 F1126 V1130 D1140 S1141	L1118-R1128 CarbonylContact C-O 3.46Å; L1118-R1128 WeakPolarHBondContact CA-O 3.11Å; I1119-R1128 HydrophobicContact CB-CB 4.34Å; I1119-R1128 PolarHBondContact N-O 2.86Å; I1119-R1128 PolarHBondContact O-N 2.96Å; F1126-R1128 HydrophobicContact CE1-CB 3.73Å; F1126-R1128 HydrophobicContact CZ-CB 3.97Å; R1128-V1130 HydrophobicContact CG-CG2 4.16Å; R1128-D1140 IonicContact CZ-OD1 2.58Å; R1128-D1140 IonicContact CZ-OD2 2.67Å; R1128-D1140 IonicContact NE-OD1 3.88Å; R1128-D1140 PolarHBondContact NE-OD1 2.88Å; R1128-D1140 IonicContact NE-OD2 2.76Å; R1128-D1140 IonicContact NH2-OD1 2.95Å; R1128-D1140 IonicContact NH2-OD2 3.3Å; R1128-D1140 PolarHBondContact NH2-OD2 3.39Å; R1128-S1141 WeakPolarHBondContact CA-OG 3.49Å
1129	V	98.4	Very high	95.3	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.012	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.4	175	-178.4	0	0	0	0	108.2	F1031 V1044 L1069 H1117 L1118 I1127 V1131 D1140 S1141	F1031-V1129 HydrophobicContact CZ-CG1 4.46Å; V1044-V1129 HydrophobicContact CG1-CG1 4.09Å; V1044-V1129 HydrophobicContact CG2-CG1 4.18Å; V1044-V1129 HydrophobicContact CG2-CG2 3.72Å; L1069-V1129 HydrophobicContact CD1-CG2 4.34Å; L1069-V1129 HydrophobicContact CD2-CG2 4.46Å; H1117-V1129 WeakPolarHBondContact O-CA 3.06Å; L1118-V1129 HydrophobicContact CD1-CG2 3.95Å; I1127-V1129 HydrophobicContact CG2-CG2 4.41Å; V1129-V1131 HydrophobicContact CG1-CG2 4.31Å; V1129-D1140 WeakPolarHBondContact O-CA 3.03Å; V1129-S1141 PolarHBondContact N-OG 3.31Å; V1129-S1141 PolarHBondContact O-N 3.39Å
1130	V	97.8	Very high	95.3	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.042	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	137.3	174	-169.9	0	0	0	0	108.5	W1116 H1117 R1128 Y1132 I1137	W1116-V1130 CarbonylContact C-O 3.58Å; W1116-V1130 WeakPolarHBondContact CA-O 3.44Å; H1117-V1130 PolarHBondContact N-O 2.73Å; H1117-V1130 PolarHBondContact O-N 3.46Å; R1128-V1130 HydrophobicContact CG-CG2 4.16Å; V1130-Y1132 HydrophobicContact CB-CE2 4.14Å; V1130-Y1132 HydrophobicContact CG1-CD2 4.21Å; V1130-Y1132 HydrophobicContact CG1-CE2 3.6Å; V1130-I1137 HydrophobicContact CG1-CB 4.46Å; V1130-I1137 HydrophobicContact CG1-CD1 4.08Å; V1130-I1137 HydrophobicContact CG1-CG1 3.93Å; V1130-I1137 HydrophobicContact CG1-CG2 3.81Å
1131	V	97.9	Very high	95.3	Very high	6 Å²	6	40.1 Å²	40.1	4%	0.036	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	126.6	176.5	-175.7	0	0	0	0	109.9	W1046 V1067 R1115 W1116 V1129 M1138 A1139	W1046-V1131 HydrophobicContact CH2-CG1 4.03Å; W1046-V1131 HydrophobicContact CZ3-CG1 3.77Å; V1067-V1131 HydrophobicContact CG1-CG2 4.34Å; V1067-V1131 HydrophobicContact CG2-CG2 4.14Å; R1115-V1131 WeakPolarHBondContact O-CA 3.38Å; W1116-V1131 HydrophobicContact CB-CG2 4.42Å; V1129-V1131 HydrophobicContact CG1-CG2 4.31Å; V1131-M1138 PolarHBondContact O-N 2.96Å; V1131-A1139 HydrophobicContact CB-CB 4.35Å; V1131-A1139 PolarHBondContact N-O 3.49Å; V1131-A1139 PolarHBondContact O-N 2.04Å; V1131-A1139 VanDerWaalsContact O-N 3.12Å
1132	Y	97.1	Very high	95.3	Very high	45 Å²	45	39.6 Å²	39.6	18%	0.176	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	138	-178.1	-60.9	-104.1	0	0	0	110.4	T686 Y1114 R1115 V1130 Q1136 I1137	T686-Y1132 HydrophobicContact CG2-CD1 4.29Å; T686-Y1132 HydrophobicContact CG2-CD2 4.32Å; T686-Y1132 HydrophobicContact CG2-CG 3.93Å; Y1114-Y1132 WeakPolarHBondContact CA-O 3.42Å; Y1114-Y1132 WeakPolarHBondContact CD1-O 3.36Å; R1115-Y1132 HydrophobicContact CB-CD2 4.37Å; R1115-Y1132 PolarHBondContact N-O 3.45Å; R1115-Y1132 PolarHBondContact O-N 3.41Å; V1130-Y1132 HydrophobicContact CB-CE2 4.14Å; V1130-Y1132 HydrophobicContact CG1-CD2 4.21Å; V1130-Y1132 HydrophobicContact CG1-CE2 3.6Å; Y1132-Q1136 CarbonylContact C-O 3.34Å; Y1132-Q1136 VanDerWaalsContact CA-O 3.27Å; Y1132-Q1136 WeakPolarHBondContact CA-O 3.09Å; Y1132-I1137 HydrophobicContact CD1-CG1 3.71Å; Y1132-I1137 HydrophobicContact CE1-CD1 4.08Å; Y1132-I1137 HydrophobicContact CE1-CG1 3.32Å; Y1132-I1137 HydrophobicContact CG-CG1 4.49Å
1133	E	95.6	Very high	95.4	Very high	68 Å²	68	43.6 Å²	43.6	32%	0.318	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	107.8	161.4	-177.3	173.7	144.6	0	0	107.5	K1109 T1112 Y1114 K1135 Q1136 M1138	K1109-E1133 IonicContact NZ-OE1 3.15Å; K1109-E1133 PolarHBondContact NZ-OE1 2.83Å; K1109-E1133 IonicContact NZ-OE2 3.45Å; K1109-E1133 PolarHBondContact NZ-OE2 3.37Å; T1112-E1133 HydrophobicContact CG2-CG 4.32Å; Y1114-E1133 HydrophobicContact CD1-CB 3.96Å; Y1114-E1133 HydrophobicContact CD1-CG 4.23Å; Y1114-E1133 HydrophobicContact CE1-CB 3.76Å; Y1114-E1133 HydrophobicContact CE1-CG 3.67Å; E1133-K1135 PolarHBondContact O-N 3.32Å; E1133-K1135 VanDerWaalsContact O-N 3.08Å; E1133-Q1136 PolarHBondContact N-O 3.2Å; E1133-Q1136 PolarHBondContact O-N 3.49Å; E1133-M1138 HydrophobicContact CB-CB 4.38Å; E1133-M1138 HydrophobicContact CB-CE 4.2Å
1134	G	90.4	Very high	95.7	Very high	21 Å²	21	38.8 Å²	38.8	22%	0.216	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	-116.6	-165.8	0	0	0	0	0	111.3	T686	T686-G1134 WeakPolarHBondContact CG2-O 3.12Å
1135	K	92.1	Very high	95.9	Very high	72 Å²	72	42.4 Å²	42.4	31%	0.313	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	0.9	-177.9	-65.3	172	176	-171.2	0	115.2	G687 Y688 E697 E1133	G687-K1135 WeakPolarHBondContact O-CE 3.19Å; G687-K1135 PolarHBondContact O-NZ 2.79Å; Y688-K1135 HydrophobicContact CD2-CD 4.47Å; Y688-K1135 HydrophobicContact CE2-CD 3.72Å; Y688-K1135 HydrophobicContact CE2-CG 4.04Å; Y688-K1135 PolarHBondContact OH-NZ 3.02Å; E697-K1135 IonicContact OE1-NZ 2.69Å; E697-K1135 PolarHBondContact OE1-NZ 2.93Å; E1133-K1135 PolarHBondContact O-N 3.32Å; E1133-K1135 VanDerWaalsContact O-N 3.08Å
1136	Q	92.7	Very high	96.1	Very high	152 Å²	152	43.1 Å²	43.1	71%	0.71	22%	0.219	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.2	-169	-62.1	-173.5	25.7	0	0	112.7	Y1132 E1133 M1138	Y1132-Q1136 CarbonylContact C-O 3.34Å; Y1132-Q1136 VanDerWaalsContact CA-O 3.27Å; Y1132-Q1136 WeakPolarHBondContact CA-O 3.09Å; E1133-Q1136 PolarHBondContact N-O 3.2Å; E1133-Q1136 PolarHBondContact O-N 3.49Å; Q1136-M1138 PolarHBondContact O-N 3Å
1137	I	94.3	Very high	96.1	Very high	80 Å²	80	47.7 Å²	47.7	41%	0.41	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	111.6	170.9	-61.2	173.5	0	0	0	109.1	V1130 Y1132 A1139 D1140	V1130-I1137 HydrophobicContact CG1-CB 4.46Å; V1130-I1137 HydrophobicContact CG1-CD1 4.08Å; V1130-I1137 HydrophobicContact CG1-CG1 3.93Å; V1130-I1137 HydrophobicContact CG1-CG2 3.81Å; Y1132-I1137 HydrophobicContact CD1-CG1 3.71Å; Y1132-I1137 HydrophobicContact CE1-CD1 4.08Å; Y1132-I1137 HydrophobicContact CE1-CG1 3.32Å; Y1132-I1137 HydrophobicContact CG-CG1 4.49Å; I1137-A1139 WeakPolarHBondContact CG2-O 3.12Å; I1137-D1140 HydrophobicContact CG2-CB 4.18Å
1138	M	94.4	Very high	96	Very high	22 Å²	22	48.8 Å²	48.8	11%	0.108	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-41.9	174.7	-169.4	-135.9	-66	0	0	110.6	W1046 K1104 I1106 Y1114 V1131 E1133 Q1136	W1046-M1138 HydrophobicContact CH2-CE 3.55Å; W1046-M1138 HydrophobicContact CH2-SD 4.39Å; W1046-M1138 HydrophobicContact CZ2-CE 3.61Å; W1046-M1138 HydrophobicContact CZ2-SD 4Å; K1104-M1138 PolarHBondContact NZ-O 2.87Å; I1106-M1138 HydrophobicContact CB-SD 4.07Å; I1106-M1138 HydrophobicContact CG2-CE 4.33Å; I1106-M1138 HydrophobicContact CG2-SD 3.52Å; I1106-M1138 VanDerWaalsContact CG2-SD 3.52Å; Y1114-M1138 HydrophobicContact CD1-CE 3.85Å; Y1114-M1138 HydrophobicContact CE1-CE 3.29Å; V1131-M1138 PolarHBondContact O-N 2.96Å; E1133-M1138 HydrophobicContact CB-CB 4.38Å; E1133-M1138 HydrophobicContact CB-CE 4.2Å; Q1136-M1138 PolarHBondContact O-N 3Å
1139	A	94.9	Very high	96	Very high	3 Å²	3	47.2 Å²	47.2	3%	0.025	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.6	179.7	0	0	0	0	0	111.2	V1067 W1100 V1131 I1137	V1067-A1139 HydrophobicContact CG2-CB 4.4Å; W1100-A1139 HydrophobicContact CH2-CB 4.22Å; V1131-A1139 HydrophobicContact CB-CB 4.35Å; V1131-A1139 PolarHBondContact N-O 3.49Å; V1131-A1139 PolarHBondContact O-N 2.04Å; V1131-A1139 VanDerWaalsContact O-N 3.12Å; I1137-A1139 WeakPolarHBondContact CG2-O 3.12Å
1140	D	97.4	Very high	95.9	Very high	56 Å²	56	48.1 Å²	48.1	30%	0.299	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	126.9	175	-179.6	-1.8	0	0	0	106.2	R1128 V1129 I1137 G1142	R1128-D1140 IonicContact CZ-OD1 2.58Å; R1128-D1140 IonicContact CZ-OD2 2.67Å; R1128-D1140 IonicContact NE-OD1 3.88Å; R1128-D1140 PolarHBondContact NE-OD1 2.88Å; R1128-D1140 IonicContact NE-OD2 2.76Å; R1128-D1140 IonicContact NH2-OD1 2.95Å; R1128-D1140 IonicContact NH2-OD2 3.3Å; R1128-D1140 PolarHBondContact NH2-OD2 3.39Å; V1129-D1140 WeakPolarHBondContact O-CA 3.03Å; I1137-D1140 HydrophobicContact CG2-CB 4.18Å; D1140-G1142 PolarHBondContact O-N 2.81Å; D1140-G1142 PolarHBondContact OD1-N 3.48Å
1141	S	97.1	Very high	95.9	Very high	15 Å²	15	47.8 Å²	47.8	11%	0.105	25%	0.245	C	C	.	.			trans	-67.8	-21.5	176.4	64.2	0	0	0	0	112.7	R1128 V1129	R1128-S1141 WeakPolarHBondContact CA-OG 3.49Å; V1129-S1141 PolarHBondContact N-OG 3.31Å; V1129-S1141 PolarHBondContact O-N 3.39Å
1142	G	95.7	Very high	95.8	Very high	20 Å²	20	47.6 Å²	47.6	21%	0.206	25%	0.245	C	C	.	.			trans	64	-171.7	-156.5	0	0	0	0	0	111.2	D1140 V1144	D1140-G1142 PolarHBondContact O-N 2.81Å; D1140-G1142 PolarHBondContact OD1-N 3.48Å; G1142-V1144 PolarHBondContact O-N 2.81Å; G1142-V1144 VanDerWaalsContact O-N 3.15Å
1143	P	96.6	Very high	95.9	Very high	87 Å²	87	45.7 Å²	45.7	57%	0.565	24%	0.237	S	C	*	.	S	Bend	trans	-72.5	106	177.1	31	-34.9	0	0	0	110.8	F1126 Y1145	F1126-P1143 HydrophobicContact CD2-CB 4.26Å; F1126-P1143 HydrophobicContact CE2-CB 3.66Å; F1126-P1143 HydrophobicContact CZ-CB 4.36Å; P1143-Y1145 HydrophobicContact CB-CE2 3.95Å
1144	V	97.6	Very high	96.1	Very high	20 Å²	20	42.5 Å²	42.5	12%	0.121	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	146.9	167.6	177.3	0	0	0	0	108	L1069 L1099 W1100 I1127 G1142	L1069-V1144 HydrophobicContact CD2-CB 4.3Å; L1069-V1144 HydrophobicContact CD2-CG1 4.11Å; L1069-V1144 HydrophobicContact CD2-CG2 4.15Å; L1099-V1144 HydrophobicContact CB-CG1 4.04Å; L1099-V1144 HydrophobicContact CD1-CG1 4.26Å; W1100-V1144 HydrophobicContact CB-CG2 4.16Å; I1127-V1144 HydrophobicContact CB-CB 4.22Å; I1127-V1144 PolarHBondContact N-O 3.21Å; I1127-V1144 WeakPolarHBondContact O-CA 3.04Å; I1127-V1144 WeakPolarHBondContact O-CB 3.04Å; I1127-V1144 PolarHBondContact O-N 2.03Å; G1142-V1144 PolarHBondContact O-N 2.81Å; G1142-V1144 VanDerWaalsContact O-N 3.15Å
1145	Y	97.6	Very high	96.4	Very high	142 Å²	142	41.5 Å²	41.5	56%	0.557	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	117.4	176.4	-70.7	-85.9	0	0	0	110.5	G1125 F1126 P1143	G1125-Y1145 CarbonylContact O-C 3.41Å; G1125-Y1145 VanDerWaalsContact O-CA 3.27Å; G1125-Y1145 WeakPolarHBondContact O-CA 3.48Å; F1126-Y1145 HydrophobicContact CB-CD1 4.46Å; F1126-Y1145 HydrophobicContact CB-CE1 4.1Å; F1126-Y1145 HydrophobicContact CD2-CE1 4.01Å; F1126-Y1145 AromaticContact CD2-CZ 3.91Å; P1143-Y1145 HydrophobicContact CB-CE2 3.95Å
1146	D	98	Very high	96.7	Very high	16 Å²	16	38 Å²	38	9%	0.086	20%	0.197	C	C	.	.			trans	-144.7	148.3	175	-146.4	-89.4	0	0	0	111.4	Y1042 R1097 L1099 G1125 I1127 T1148	Y1042-D1146 HydrophobicContact CE1-CB 4.16Å; R1097-D1146 IonicContact CZ-OD1 3.33Å; R1097-D1146 IonicContact CZ-OD2 3.12Å; R1097-D1146 IonicContact NH1-OD2 2.79Å; R1097-D1146 PolarHBondContact NH1-OD2 3.13Å; R1097-D1146 IonicContact NH2-OD1 2.75Å; R1097-D1146 PolarHBondContact NH2-OD1 2.85Å; R1097-D1146 IonicContact NH2-OD2 3.28Å; R1097-D1146 PolarHBondContact NH2-OD2 3.08Å; L1099-D1146 HydrophobicContact CD1-CB 3.99Å; L1099-D1146 HydrophobicContact CD2-CB 4.43Å; L1099-D1146 WeakPolarHBondContact CD2-OD2 3.43Å; G1125-D1146 CarbonylContact C-O 3.58Å; G1125-D1146 WeakPolarHBondContact CA-O 3.4Å; G1125-D1146 PolarHBondContact O-N 3.38Å; I1127-D1146 HydrophobicContact CD1-CB 3.98Å; D1146-T1148 WeakPolarHBondContact OD1-CB 3.44Å; D1146-T1148 PolarHBondContact OD1-N 2.92Å; D1146-T1148 PolarHBondContact OD1-OG1 2.85Å
1147	K	96.2	Very high	97	Very high	133 Å²	133	30.8 Å²	30.8	58%	0.578	16%	0.163	S	C	*	.			trans	-139.6	42.8	-178.1	-72.8	-176.1	153.8	-69.2	0	109.8	P1122 K1123 T1124	P1122-K1147 PolarHBondContact O-NZ 3.27Å; K1123-K1147 PolarHBondContact O-NZ 3.14Å; T1124-K1147 WeakPolarHBondContact O-CE 3.36Å
1148	T	97.1	Very high	97.1	Very high	23 Å²	23	27 Å²	27	14%	0.141	14%	0.144	C	C	.	.	S	Bend	trans	-77.1	-36.2	174.4	-51.5	0	0	0	0	110.3	Y1042 V1071 N1073 R1097 D1146	Y1042-T1148 PolarHBondContact OH-N 2.84Å; V1071-T1148 HydrophobicContact CG2-CG2 4.08Å; N1073-T1148 HydrophobicContact CB-CG2 4.47Å; R1097-T1148 PolarHBondContact NH2-OG1 3.49Å; D1146-T1148 WeakPolarHBondContact OD1-CB 3.44Å; D1146-T1148 PolarHBondContact OD1-N 2.92Å; D1146-T1148 PolarHBondContact OD1-OG1 2.85Å
1149	F	97.8	Very high	97.2	Very high	2 Å²	2	26 Å²	26	1%	0.009	14%	0.139	C	C	.	.			trans	-130.8	141	178.6	-51	-51.2	0	0	0	110.1	E870 R1040 F1041 Y1042 V1071 V1072 N1073	E870-F1149 CarbonylContact O-C 3.56Å; E870-F1149 WeakPolarHBondContact O-CA 3.44Å; R1040-F1149 VanDerWaalsContact CA-CZ 3.45Å; R1040-F1149 HydrophobicContact CB-CD1 4.29Å; R1040-F1149 HydrophobicContact CB-CE1 3.57Å; R1040-F1149 HydrophobicContact CB-CE2 4.42Å; R1040-F1149 HydrophobicContact CB-CZ 3.66Å; R1040-F1149 HydrophobicContact CG-CE1 3.78Å; R1040-F1149 HydrophobicContact CG-CZ 4.06Å; F1041-F1149 VanDerWaalsContact N-CE2 3.32Å; Y1042-F1149 HydrophobicContact CD2-CD2 4.08Å; Y1042-F1149 HydrophobicContact CE1-CD2 4.43Å; Y1042-F1149 HydrophobicContact CE2-CB 3.8Å; Y1042-F1149 AromaticContact CE2-CD2 3.84Å; Y1042-F1149 HydrophobicContact CE2-CD2 3.84Å; Y1042-F1149 HydrophobicContact CE2-CG 4.3Å; Y1042-F1149 HydrophobicContact CG-CD2 4.5Å; Y1042-F1149 PolarHBondContact OH-N 3.41Å; Y1042-F1149 VanDerWaalsContact OH-N 3.17Å; Y1042-F1149 PolarHBondContact OH-O 3.42Å; V1071-F1149 HydrophobicContact CG2-CD2 4.06Å; V1071-F1149 HydrophobicContact CG2-CE2 3.49Å; V1071-F1149 VanDerWaalsContact CG2-CE2 3.49Å; V1071-F1149 HydrophobicContact CG2-CZ 4.3Å; V1072-F1149 VanDerWaalsContact O-CE2 3.24Å; V1072-F1149 WeakPolarHBondContact O-CE2 3.45Å; V1072-F1149 WeakPolarHBondContact O-CZ 3.24Å; N1073-F1149 HydrophobicContact CB-CZ 4.47Å
1150	A	96.7	Very high	97.2	Very high	20 Å²	20	26.2 Å²	26.2	17%	0.165	14%	0.14	C	C	.	.	S	Bend	trans	-101.2	-2.3	-172	0	0	0	0	0	114.4	D869 E870 D871 A884 P1122	D869-A1150 WeakPolarHBondContact O-CB 3.34Å; E870-A1150 PolarHBondContact O-N 2.03Å; D871-A1150 HydrophobicContact CB-CB 4.11Å; A884-A1150 HydrophobicContact CB-CB 3.83Å; P1122-A1150 WeakPolarHBondContact CB-O 3.48Å; P1122-A1150 WeakPolarHBondContact CG-O 3.32Å
1151	G	96.1	Very high	97.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.			trans	179.8	-151.6	175.3	0	0	0	0	0	110.8	F1009 G1034	F1009-G1151 CarbonylContact O-C 3.57Å; F1009-G1151 VanDerWaalsContact O-CA 3.23Å; F1009-G1151 WeakPolarHBondContact O-CA 3.27Å; G1034-G1151 WeakPolarHBondContact CA-O 3.33Å
1152	G	97.4	Very high	97	Very high	3 Å²	3	24.6 Å²	24.6	3%	0.031	13%	0.129	C	C	.	.			trans	116.4	-174.2	169.9	0	0	0	0	0	114.6	A886 F1009 Y1035	A886-G1152 VanDerWaalsContact CB-N 3.29Å; F1009-G1152 PolarHBondContact N-O 3.01Å; F1009-G1152 VanDerWaalsContact N-O 3.12Å; F1009-G1152 PolarHBondContact O-N 2.7Å; F1009-G1152 VanDerWaalsContact O-N 3.15Å; Y1035-G1152 CarbonylContact O-C 3.5Å; Y1035-G1152 WeakPolarHBondContact O-CA 3.34Å
1153	R	98.5	Very high	97	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.015	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	163.6	-169.1	-65.2	-174.8	-80	131.7	-9.7	114.2	D856 V1004 G1005 F1006 E1008 F1033 G1034 Y1035	D856-R1153 PolarHBondContact O-NH2 3.38Å; V1004-R1153 HydrophobicContact CG1-CB 3.7Å; G1005-R1153 WeakPolarHBondContact O-CD 3.42Å; F1006-R1153 WeakPolarHBondContact O-CD 3.25Å; E1008-R1153 HydrophobicContact CB-CG 4.08Å; E1008-R1153 HydrophobicContact CG-CG 3.61Å; E1008-R1153 VanDerWaalsContact OE1-CD 3.28Å; E1008-R1153 WeakPolarHBondContact OE1-CD 3.39Å; E1008-R1153 VanDerWaalsContact OE1-CG 3.23Å; E1008-R1153 WeakPolarHBondContact OE1-CG 3.31Å; E1008-R1153 IonicContact OE1-NE 2.72Å; E1008-R1153 PolarHBondContact OE1-NE 3.03Å; F1033-R1153 CarbonylContact C-O 3.5Å; G1034-R1153 PolarHBondContact N-O 2.7Å; Y1035-R1153 PolarHBondContact N-O 3.09Å; Y1035-R1153 PolarHBondContact O-N 2.91Å
1154	L	98.6	Very high	97	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	157.1	174.5	-66.2	179.7	0	0	0	111.4	F963 V1004 G1005 F1009 V1012 F1014 F1033 Y1171	F963-L1154 HydrophobicContact CE1-CB 4.24Å; F963-L1154 HydrophobicContact CZ-CB 3.99Å; V1004-L1154 CarbonylContact C-O 3.37Å; V1004-L1154 WeakPolarHBondContact CA-O 3.37Å; V1004-L1154 WeakPolarHBondContact CG1-O 3.45Å; G1005-L1154 PolarHBondContact N-O 2.78Å; F1009-L1154 HydrophobicContact CD2-CD1 4.01Å; F1009-L1154 HydrophobicContact CD2-CG 3.78Å; F1009-L1154 HydrophobicContact CE2-CB 4.39Å; F1009-L1154 HydrophobicContact CE2-CD1 3.63Å; F1009-L1154 HydrophobicContact CE2-CG 3.72Å; F1009-L1154 HydrophobicContact CZ-CD1 4.13Å; V1012-L1154 HydrophobicContact CG1-CD2 4.29Å; V1012-L1154 HydrophobicContact CG2-CD1 4.08Å; F1014-L1154 HydrophobicContact CB-CD1 4.01Å; F1014-L1154 HydrophobicContact CB-CD2 4.26Å; F1014-L1154 HydrophobicContact CD1-CD1 4.25Å; F1014-L1154 HydrophobicContact CD1-CD2 4.04Å; F1014-L1154 HydrophobicContact CD2-CD1 3.83Å; F1014-L1154 HydrophobicContact CE2-CD1 4.34Å; F1014-L1154 HydrophobicContact CG-CD1 3.78Å; F1014-L1154 HydrophobicContact CG-CD2 4.22Å; F1033-L1154 HydrophobicContact CB-CD2 3.56Å; L1154-Y1171 HydrophobicContact CD1-CD1 3.55Å; L1154-Y1171 HydrophobicContact CD1-CE1 4.41Å; L1154-Y1171 HydrophobicContact CD1-CG 3.84Å
1155	G	97.9	Very high	97.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.1	174.6	174.8	0	0	0	0	0	115.1	A1003 F1031 V1032	A1003-G1155 CarbonylContact O-C 3.09Å; A1003-G1155 WeakPolarHBondContact O-CA 3.28Å; F1031-G1155 CarbonylContact C-O 3.51Å; F1031-G1155 VanDerWaalsContact CA-O 3.29Å; F1031-G1155 WeakPolarHBondContact CA-O 3.25Å; F1031-G1155 VanDerWaalsContact CB-O 3.28Å; F1031-G1155 WeakPolarHBondContact CB-O 3.04Å; V1032-G1155 PolarHBondContact N-O 3.39Å; V1032-G1155 PolarHBondContact O-N 3.01Å; V1032-G1155 VanDerWaalsContact O-N 3.15Å
1156	L	98.6	Very high	97.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	139.2	-178.1	-57.1	175.8	0	0	0	110.6	W983 L992 I1002 A1003 F1014 F1031 W1116 F1166 L1169	W983-L1156 HydrophobicContact CH2-CB 3.62Å; W983-L1156 HydrophobicContact CZ3-CB 3.75Å; W983-L1156 HydrophobicContact CZ3-CD1 4.11Å; L992-L1156 HydrophobicContact CB-CD1 3.64Å; L992-L1156 HydrophobicContact CD1-CD1 4.18Å; L992-L1156 HydrophobicContact CD2-CD1 4.17Å; L992-L1156 HydrophobicContact CG-CD1 4.2Å; I1002-L1156 VanDerWaalsContact CA-O 3.26Å; I1002-L1156 WeakPolarHBondContact CA-O 3.08Å; I1002-L1156 WeakPolarHBondContact CG2-O 3.03Å; A1003-L1156 PolarHBondContact N-O 2.87Å; A1003-L1156 PolarHBondContact O-N 3.35Å; F1014-L1156 HydrophobicContact CZ-CD2 4.44Å; F1031-L1156 HydrophobicContact CB-CD2 4.45Å; W1116-L1156 HydrophobicContact CH2-CD2 4.16Å; W1116-L1156 HydrophobicContact CZ2-CD2 4.24Å; L1156-F1166 HydrophobicContact CB-CD2 4.42Å; L1156-F1166 HydrophobicContact CB-CE2 4.46Å; L1156-F1166 HydrophobicContact CB-CG 4.49Å; L1156-F1166 HydrophobicContact CD1-CB 3.66Å; L1156-F1166 HydrophobicContact CD1-CD2 4.03Å; L1156-F1166 HydrophobicContact CD1-CG 3.89Å; L1156-F1166 HydrophobicContact CD2-CB 4Å; L1156-F1166 HydrophobicContact CD2-CD1 3.93Å; L1156-F1166 HydrophobicContact CD2-CG 4Å; L1156-F1166 HydrophobicContact CG-CB 4.42Å; L1156-F1166 HydrophobicContact CG-CG 4.36Å; L1156-L1169 HydrophobicContact CD1-CD1 4.04Å; L1156-L1169 HydrophobicContact CD2-CD2 4.04Å
1157	F	98.4	Very high	97.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	131.7	-171.2	176.8	-84.5	0	0	0	111.8	L971 I1002 A1029 G1030 V1032 V1043 M1045 F1159	L971-F1157 HydrophobicContact CD1-CD2 4.3Å; L971-F1157 HydrophobicContact CD1-CE2 3.73Å; I1002-F1157 HydrophobicContact CG1-CD2 4.31Å; A1029-F1157 CarbonylContact C-O 3.57Å; G1030-F1157 PolarHBondContact N-O 2.78Å; G1030-F1157 PolarHBondContact O-N 2.84Å; V1032-F1157 HydrophobicContact CG1-CB 4.31Å; V1032-F1157 HydrophobicContact CG1-CD2 4.48Å; V1043-F1157 HydrophobicContact CG2-CB 4.43Å; V1043-F1157 HydrophobicContact CG2-CD2 4.1Å; V1043-F1157 HydrophobicContact CG2-CG 4.08Å; M1045-F1157 HydrophobicContact CB-CD1 4.3Å; M1045-F1157 HydrophobicContact CB-CE1 4.28Å; M1045-F1157 HydrophobicContact CE-CD1 4.43Å; M1045-F1157 HydrophobicContact CE-CE1 3.7Å; M1045-F1157 HydrophobicContact CE-CE2 4.17Å; M1045-F1157 HydrophobicContact CE-CZ 3.55Å; F1157-F1159 HydrophobicContact CE1-CB 3.81Å; F1157-F1159 HydrophobicContact CZ-CB 3.82Å; F1157-F1159 HydrophobicContact CZ-CD2 4.29Å
1158	V	97.5	Very high	97.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	151.2	167.4	-67	0	0	0	0	111.6	P981 W983 Q994 P1000 G1001 V1164 F1166	P981-V1158 HydrophobicContact CB-CG2 4Å; P981-V1158 HydrophobicContact CG-CG2 4.21Å; W983-V1158 HydrophobicContact CH2-CG1 4.05Å; W983-V1158 HydrophobicContact CH2-CG2 4.29Å; W983-V1158 HydrophobicContact CZ2-CG2 3.98Å; Q994-V1158 HydrophobicContact CB-CG1 4.08Å; Q994-V1158 HydrophobicContact CG-CB 4.44Å; Q994-V1158 HydrophobicContact CG-CG1 3.89Å; Q994-V1158 HydrophobicContact CG-CG2 3.9Å; P1000-V1158 WeakPolarHBondContact CA-O 3.49Å; G1001-V1158 PolarHBondContact N-O 3.46Å; G1001-V1158 VanDerWaalsContact N-O 3.09Å; G1001-V1158 PolarHBondContact O-N 2.82Å; V1158-V1164 HydrophobicContact CG1-CG2 4.36Å; V1158-F1166 HydrophobicContact CG1-CE2 3.96Å; V1158-F1166 HydrophobicContact CG1-CZ 3.99Å
1159	F	96.5	Very high	97.2	Very high	1 Å²	1	7 Å²	7	0%	0.004	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	106.7	169.3	-177.2	1.1	0	0	0	108.5	P1000 Y1028 Y1053 R1083 W1087 F1157 Q1161	P1000-F1159 HydrophobicContact CB-CB 3.99Å; P1000-F1159 HydrophobicContact CB-CD1 3.81Å; P1000-F1159 HydrophobicContact CB-CD2 3.82Å; P1000-F1159 HydrophobicContact CB-CE1 4.21Å; P1000-F1159 HydrophobicContact CB-CE2 4.18Å; P1000-F1159 HydrophobicContact CB-CG 3.62Å; P1000-F1159 HydrophobicContact CB-CZ 4.39Å; P1000-F1159 HydrophobicContact CG-CD1 4.16Å; P1000-F1159 HydrophobicContact CG-CD2 4.49Å; P1000-F1159 HydrophobicContact CG-CE1 4.08Å; P1000-F1159 HydrophobicContact CG-CE2 4.38Å; P1000-F1159 HydrophobicContact CG-CG 4.38Å; P1000-F1159 HydrophobicContact CG-CZ 4.2Å; Y1028-F1159 PolarHBondContact N-O 2.88Å; Y1028-F1159 PolarHBondContact O-N 3.48Å; Y1053-F1159 HydrophobicContact CD2-CZ 4.33Å; Y1053-F1159 AromaticContact CE2-CE1 3.82Å; Y1053-F1159 HydrophobicContact CE2-CE1 3.82Å; Y1053-F1159 AromaticContact CE2-CZ 3.72Å; Y1053-F1159 HydrophobicContact CE2-CZ 3.72Å; R1083-F1159 HydrophobicContact CG-CE1 4.37Å; R1083-F1159 HydrophobicContact CG-CE2 4.09Å; R1083-F1159 HydrophobicContact CG-CZ 3.52Å; W1087-F1159 HydrophobicContact CB-CE2 3.95Å; W1087-F1159 HydrophobicContact CB-CZ 4.45Å; W1087-F1159 HydrophobicContact CE3-CD1 4.27Å; W1087-F1159 HydrophobicContact CE3-CD2 4.04Å; W1087-F1159 AromaticContact CE3-CE1 3.91Å; W1087-F1159 HydrophobicContact CE3-CE1 3.91Å; W1087-F1159 AromaticContact CE3-CE2 3.69Å; W1087-F1159 HydrophobicContact CE3-CE2 3.69Å; W1087-F1159 HydrophobicContact CE3-CG 4.32Å; W1087-F1159 AromaticContact CE3-CZ 3.6Å; W1087-F1159 HydrophobicContact CE3-CZ 3.6Å; W1087-F1159 HydrophobicContact CZ3-CD1 4.29Å; W1087-F1159 HydrophobicContact CZ3-CE1 4.09Å; W1087-F1159 HydrophobicContact CZ3-CZ 4.25Å; F1157-F1159 HydrophobicContact CE1-CB 3.81Å; F1157-F1159 HydrophobicContact CZ-CB 3.82Å; F1157-F1159 HydrophobicContact CZ-CD2 4.29Å; F1159-Q1161 VanDerWaalsContact C-N 3.34Å; F1159-Q1161 PolarHBondContact O-N 2.81Å
1160	S	93.8	Very high	97.2	Very high	8 Å²	8	9.6 Å²	9.6	6%	0.056	5%	0.05	C	C	.	.	S	Bend	trans	64.8	26.2	174.4	-170.6	0	0	0	0	115.7	N997 S998 D1027 W1054	N997-S1160 WeakPolarHBondContact OD1-CA 3.43Å; N997-S1160 PolarHBondContact OD1-O 2.87Å; N997-S1160 PolarHBondContact OD1-OG 2.83Å; S998-S1160 WeakPolarHBondContact O-CA 3.38Å; S998-S1160 PolarHBondContact O-N 2.04Å; D1027-S1160 WeakPolarHBondContact CB-O 3.38Å; D1027-S1160 WeakPolarHBondContact OD2-CB 3.36Å; D1027-S1160 PolarHBondContact OD2-OG 2.89Å; W1054-S1160 WeakPolarHBondContact CH2-OG 3.27Å
1161	Q	95.7	Very high	97.2	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.043	C	C	.	.			trans	-125.2	127.2	176.5	-176.8	60.7	60.1	0	0	110.9	Q994 R1024 D1027 W1108 F1159 V1164	Q994-Q1161 PolarHBondContact OE1-O 2.82Å; R1024-Q1161 PolarHBondContact O-NE2 3.19Å; D1027-Q1161 HydrophobicContact CB-CB 4.27Å; D1027-Q1161 VanDerWaalsContact N-OE1 3.14Å; W1108-Q1161 HydrophobicContact CZ2-CG 4.26Å; W1108-Q1161 VanDerWaalsContact CZ2-OE1 3.29Å; F1159-Q1161 VanDerWaalsContact C-N 3.34Å; F1159-Q1161 PolarHBondContact O-N 2.81Å; Q1161-V1164 HydrophobicContact CB-CG2 4.12Å; Q1161-V1164 HydrophobicContact CG-CG2 3.55Å
1162	E	94.6	Very high	97.1	Very high	37 Å²	37	10.3 Å²	10.3	17%	0.173	5%	0.05	C	C	.	.			trans	-92.6	158.6	174.3	69.9	-175.6	-151.4	0	0	112.5	N997 T1022 R1024	N997-E1162 HydrophobicContact CB-CB 4.19Å; T1022-E1162 HydrophobicContact CG2-CG 4.33Å; T1022-E1162 WeakPolarHBondContact CG2-O 3.41Å; R1024-E1162 WeakPolarHBondContact CD-OE1 3.27Å; R1024-E1162 IonicContact CZ-OE1 2.73Å; R1024-E1162 IonicContact NE-OE1 2.8Å; R1024-E1162 IonicContact NH1-OE1 2.89Å; R1024-E1162 PolarHBondContact NH1-OE1 2.77Å
1163	L	95.4	Very high	96.9	Very high	52 Å²	52	11.8 Å²	11.8	27%	0.272	6%	0.06	S	C	.	.	S	Bend	trans	58.4	48.4	172.2	-63.6	170.1	0	0	0	113.8	Q994 N1021 T1022	Q994-L1163 CarbonylContact O-C 3.13Å; Q994-L1163 WeakPolarHBondContact O-CA 3.35Å; Q994-L1163 PolarHBondContact O-N 2.94Å; N1021-L1163 PolarHBondContact N-O 3.36Å; T1022-L1163 HydrophobicContact CG2-CB 4.07Å
1164	V	97.7	Very high	96.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120.6	176.4	-169.2	0	0	0	0	110	V993 Q994 M1018 A1029 V1158 Q1161 F1166	V993-V1164 WeakPolarHBondContact CA-O 3.03Å; Q994-V1164 HydrophobicContact CB-CB 4.45Å; Q994-V1164 PolarHBondContact N-O 3.17Å; Q994-V1164 PolarHBondContact O-N 2.98Å; M1018-V1164 HydrophobicContact CG-CG1 4.38Å; A1029-V1164 HydrophobicContact CB-CG1 3.74Å; A1029-V1164 HydrophobicContact CB-CG2 4.17Å; V1158-V1164 HydrophobicContact CG1-CG2 4.36Å; Q1161-V1164 HydrophobicContact CB-CG2 4.12Å; Q1161-V1164 HydrophobicContact CG-CG2 3.55Å; V1164-F1166 HydrophobicContact CB-CE2 3.9Å; V1164-F1166 HydrophobicContact CB-CZ 4.23Å; V1164-F1166 HydrophobicContact CG1-CD1 4.46Å; V1164-F1166 HydrophobicContact CG1-CD2 4.06Å; V1164-F1166 HydrophobicContact CG1-CE1 3.91Å; V1164-F1166 HydrophobicContact CG1-CE2 3.45Å; V1164-F1166 VanDerWaalsContact CG1-CE2 3.45Å; V1164-F1166 HydrophobicContact CG1-CZ 3.39Å
1165	F	98.3	Very high	94.9	Very high	12 Å²	12	16.6 Å²	16.6	5%	0.053	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	128.3	175.6	-73.6	-121.6	0	0	0	108.7	L727 V993 M1018 Y1019 N1021	L727-F1165 HydrophobicContact CD1-CD1 4.37Å; L727-F1165 HydrophobicContact CD1-CE1 4.04Å; L727-F1165 HydrophobicContact CD1-CZ 4.16Å; V993-F1165 HydrophobicContact CG1-CD1 4.36Å; V993-F1165 HydrophobicContact CG1-CD2 3.79Å; V993-F1165 HydrophobicContact CG1-CE1 4.2Å; V993-F1165 HydrophobicContact CG1-CE2 3.57Å; V993-F1165 HydrophobicContact CG1-CG 4.16Å; V993-F1165 HydrophobicContact CG1-CZ 3.79Å; V993-F1165 HydrophobicContact CG2-CD1 3.61Å; V993-F1165 HydrophobicContact CG2-CD2 4.46Å; V993-F1165 HydrophobicContact CG2-CE1 3.72Å; V993-F1165 HydrophobicContact CG2-CG 3.99Å; V993-F1165 HydrophobicContact CG2-CZ 4.18Å; M1018-F1165 WeakPolarHBondContact CA-O 3.19Å; Y1019-F1165 PolarHBondContact N-O 3.47Å; Y1019-F1165 PolarHBondContact O-N 2.88Å; N1021-F1165 HydrophobicContact CB-CD2 3.84Å; N1021-F1165 HydrophobicContact CB-CE2 3.48Å; N1021-F1165 VanDerWaalsContact CB-CE2 3.48Å; N1021-F1165 HydrophobicContact CB-CZ 4.28Å
1166	F	98.4	Very high	93	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	89	173.6	-59.7	-82.5	0	0	0	107.8	W983 E991 L992 Q994 T1017 M1018 A1029 G1030 W1116 L1156 V1158 V1164 L1169	W983-F1166 AromaticContact CH2-CE2 3.96Å; W983-F1166 HydrophobicContact CH2-CE2 3.96Å; W983-F1166 AromaticContact CZ3-CD2 3.76Å; W983-F1166 HydrophobicContact CZ3-CD2 3.76Å; W983-F1166 AromaticContact CZ3-CE2 3.56Å; W983-F1166 HydrophobicContact CZ3-CE2 3.56Å; E991-F1166 VanDerWaalsContact CA-O 3.32Å; E991-F1166 WeakPolarHBondContact CA-O 3.05Å; L992-F1166 PolarHBondContact N-O 2.77Å; L992-F1166 WeakPolarHBondContact O-CB 3.03Å; L992-F1166 PolarHBondContact O-N 2.76Å; Q994-F1166 HydrophobicContact CB-CE2 4.49Å; T1017-F1166 CarbonylContact O-C 3.57Å; T1017-F1166 WeakPolarHBondContact O-CA 3.32Å; M1018-F1166 HydrophobicContact CG-CE1 4.43Å; A1029-F1166 HydrophobicContact CB-CZ 4.36Å; G1030-F1166 WeakPolarHBondContact O-CE1 3.43Å; W1116-F1166 HydrophobicContact CH2-CB 4.27Å; W1116-F1166 AromaticContact CH2-CD1 3.77Å; W1116-F1166 HydrophobicContact CH2-CD1 3.77Å; W1116-F1166 AromaticContact CZ3-CD1 3.92Å; W1116-F1166 HydrophobicContact CZ3-CD1 3.92Å; L1156-F1166 HydrophobicContact CB-CD2 4.42Å; L1156-F1166 HydrophobicContact CB-CE2 4.46Å; L1156-F1166 HydrophobicContact CB-CG 4.49Å; L1156-F1166 HydrophobicContact CD1-CB 3.66Å; L1156-F1166 HydrophobicContact CD1-CD2 4.03Å; L1156-F1166 HydrophobicContact CD1-CG 3.89Å; L1156-F1166 HydrophobicContact CD2-CB 4Å; L1156-F1166 HydrophobicContact CD2-CD1 3.93Å; L1156-F1166 HydrophobicContact CD2-CG 4Å; L1156-F1166 HydrophobicContact CG-CB 4.42Å; L1156-F1166 HydrophobicContact CG-CG 4.36Å; V1158-F1166 HydrophobicContact CG1-CE2 3.96Å; V1158-F1166 HydrophobicContact CG1-CZ 3.99Å; V1164-F1166 HydrophobicContact CB-CE2 3.9Å; V1164-F1166 HydrophobicContact CB-CZ 4.23Å; V1164-F1166 HydrophobicContact CG1-CD1 4.46Å; V1164-F1166 HydrophobicContact CG1-CD2 4.06Å; V1164-F1166 HydrophobicContact CG1-CE1 3.91Å; V1164-F1166 HydrophobicContact CG1-CE2 3.45Å; V1164-F1166 VanDerWaalsContact CG1-CE2 3.45Å; V1164-F1166 HydrophobicContact CG1-CZ 3.39Å; F1166-L1169 HydrophobicContact CB-CD2 4.29Å
1167	S	98.1	Very high	90.1	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	157.5	-165	-173.6	0	0	0	0	112.8	P728 S730 E991 T1017 L1169	P728-S1167 VanDerWaalsContact CB-CB 3.5Å; P728-S1167 WeakPolarHBondContact CB-OG 3.06Å; S730-S1167 WeakPolarHBondContact CB-OG 3.11Å; S730-S1167 PolarHBondContact OG-OG 2.03Å; E991-S1167 VanDerWaalsContact OE2-CB 3.32Å; E991-S1167 WeakPolarHBondContact OE2-CB 3.34Å; E991-S1167 PolarHBondContact OE2-OG 2.7Å; T1017-S1167 WeakPolarHBondContact CB-O 3.45Å; T1017-S1167 PolarHBondContact N-O 2.92Å; T1017-S1167 PolarHBondContact O-N 2.91Å; S1167-L1169 VanDerWaalsContact C-N 3.27Å; S1167-L1169 PolarHBondContact O-N 2.85Å
1168	D	97.4	Very high	87.3	Confident	7 Å²	7	30.7 Å²	30.7	4%	0.037	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	40.9	52.6	-175.5	-176.3	54.8	0	0	0	113.1	D702 S730 K990 R1115 K1170	D702-D1168 WeakPolarHBondContact O-CB 3.3Å; S730-D1168 PolarHBondContact OG-N 3.48Å; S730-D1168 VanDerWaalsContact OG-N 3.1Å; K990-D1168 PolarHBondContact O-N 2.92Å; R1115-D1168 VanDerWaalsContact CZ-O 3.29Å; R1115-D1168 IonicContact CZ-OD2 3.29Å; R1115-D1168 VanDerWaalsContact CZ-OD2 3.31Å; R1115-D1168 PolarHBondContact NH1-O 3.46Å; R1115-D1168 VanDerWaalsContact NH1-O 3.17Å; R1115-D1168 IonicContact NH1-OD2 3.48Å; R1115-D1168 PolarHBondContact NH1-OD2 2.94Å; R1115-D1168 PolarHBondContact NH2-O 3.36Å; R1115-D1168 IonicContact NH2-OD2 2.84Å; R1115-D1168 PolarHBondContact NH2-OD2 2.04Å; R1115-D1168 VanDerWaalsContact NH2-OD2 3.12Å; D1168-K1170 VanDerWaalsContact CG-CE 3.45Å; D1168-K1170 PolarHBondContact O-N 2.86Å; D1168-K1170 WeakPolarHBondContact OD1-CE 3.08Å; D1168-K1170 WeakPolarHBondContact OD2-CE 3.01Å; D1168-K1170 IonicContact OD2-NZ 2.67Å
1169	L	98.2	Very high	84.2	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	130.8	175.4	-58.1	173.1	0	0	0	109.4	T961 F963 K990 L992 F1014 W1116 L1156 F1166 S1167	T961-L1169 HydrophobicContact CG2-CB 4.13Å; T961-L1169 VanDerWaalsContact CG2-O 3.29Å; T961-L1169 WeakPolarHBondContact CG2-O 3.23Å; F963-L1169 HydrophobicContact CD2-CB 4.45Å; F963-L1169 HydrophobicContact CD2-CD1 3.73Å; F963-L1169 HydrophobicContact CE2-CB 4.34Å; F963-L1169 HydrophobicContact CE2-CD1 4.1Å; F963-L1169 HydrophobicContact CG-CD1 4.47Å; K990-L1169 WeakPolarHBondContact O-CB 3.46Å; K990-L1169 WeakPolarHBondContact O-CG 3.42Å; K990-L1169 PolarHBondContact O-N 3.36Å; L992-L1169 HydrophobicContact CD1-CD1 4Å; F1014-L1169 HydrophobicContact CE2-CD2 4.45Å; F1014-L1169 HydrophobicContact CZ-CD2 4.3Å; W1116-L1169 HydrophobicContact CH2-CD2 3.66Å; W1116-L1169 HydrophobicContact CZ2-CD2 3.66Å; L1156-L1169 HydrophobicContact CD1-CD1 4.04Å; L1156-L1169 HydrophobicContact CD2-CD2 4.04Å; F1166-L1169 HydrophobicContact CB-CD2 4.29Å; S1167-L1169 VanDerWaalsContact C-N 3.27Å; S1167-L1169 PolarHBondContact O-N 2.85Å
1170	K	96.9	Very high	81	Confident	56 Å²	56	41.8 Å²	41.8	24%	0.243	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	124.8	173.3	-48.9	-174.4	-160.5	-175	0	110.3	E683 F1014 S1015 D1168	E683-K1170 IonicContact OE1-NZ 3.32Å; E683-K1170 PolarHBondContact OE1-NZ 2.79Å; F1014-K1170 WeakPolarHBondContact CA-O 3.45Å; F1014-K1170 WeakPolarHBondContact CD2-O 3.05Å; S1015-K1170 PolarHBondContact N-O 2.83Å; S1015-K1170 PolarHBondContact O-N 2.89Å; D1168-K1170 VanDerWaalsContact CG-CE 3.45Å; D1168-K1170 PolarHBondContact O-N 2.86Å; D1168-K1170 WeakPolarHBondContact OD1-CE 3.08Å; D1168-K1170 WeakPolarHBondContact OD2-CE 3.01Å; D1168-K1170 IonicContact OD2-NZ 2.67Å
1171	Y	97.4	Very high	77.9	Confident	3 Å²	3	46.9 Å²	46.9	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	155.5	160.7	43.9	-107.5	0	0	0	111.2	V951 I958 I960 T961 D962 F963 D1007 F1009 D1013 F1014 L1154	V951-Y1171 VanDerWaalsContact CB-O 3.3Å; V951-Y1171 WeakPolarHBondContact CB-O 3.3Å; V951-Y1171 WeakPolarHBondContact CG1-O 3.36Å; V951-Y1171 HydrophobicContact CG2-CD2 4.22Å; V951-Y1171 HydrophobicContact CG2-CE2 4.23Å; I958-Y1171 HydrophobicContact CG2-CE2 3.86Å; I960-Y1171 PolarHBondContact O-OH 3.25Å; T961-Y1171 HydrophobicContact CG2-CD1 3.74Å; T961-Y1171 HydrophobicContact CG2-CE1 3.57Å; T961-Y1171 HydrophobicContact CG2-CG 4.35Å; T961-Y1171 PolarHBondContact OG1-N 3.44Å; D962-Y1171 PolarHBondContact N-OH 3.17Å; F963-Y1171 HydrophobicContact CD2-CE1 4.29Å; F963-Y1171 AromaticContact CE2-CD1 3.87Å; F963-Y1171 HydrophobicContact CE2-CD1 3.87Å; F963-Y1171 AromaticContact CE2-CE1 3.54Å; F963-Y1171 HydrophobicContact CE2-CE1 3.54Å; F963-Y1171 AromaticContact CZ-CD1 4Å; F963-Y1171 HydrophobicContact CZ-CD1 4Å; F963-Y1171 AromaticContact CZ-CE1 3.73Å; F963-Y1171 HydrophobicContact CZ-CE1 3.73Å; D1007-Y1171 PolarHBondContact OD2-OH 3.1Å; F1009-Y1171 AromaticContact CE1-CD2 3.67Å; F1009-Y1171 HydrophobicContact CE1-CD2 3.67Å; F1009-Y1171 HydrophobicContact CE1-CE2 4.07Å; F1009-Y1171 HydrophobicContact CE1-CG 4.16Å; F1009-Y1171 HydrophobicContact CZ-CD1 4.13Å; F1009-Y1171 AromaticContact CZ-CD2 3.43Å; F1009-Y1171 HydrophobicContact CZ-CD2 3.43Å; F1009-Y1171 VanDerWaalsContact CZ-CD2 3.43Å; F1009-Y1171 HydrophobicContact CZ-CE1 4.21Å; F1009-Y1171 AromaticContact CZ-CE2 3.55Å; F1009-Y1171 HydrophobicContact CZ-CE2 3.55Å; F1009-Y1171 AromaticContact CZ-CG 3.73Å; F1009-Y1171 HydrophobicContact CZ-CG 3.73Å; F1009-Y1171 AromaticContact CZ-CZ 3.93Å; D1013-Y1171 CarbonylContact O-C 3.53Å; D1013-Y1171 VanDerWaalsContact O-CA 3.25Å; D1013-Y1171 WeakPolarHBondContact O-CA 3.45Å; F1014-Y1171 HydrophobicContact CD2-CD1 4.33Å; F1014-Y1171 HydrophobicContact CE2-CD1 4.41Å; L1154-Y1171 HydrophobicContact CD1-CD1 3.55Å; L1154-Y1171 HydrophobicContact CD1-CE1 4.41Å; L1154-Y1171 HydrophobicContact CD1-CG 3.84Å
1172	E	94.6	Very high	74.8	Confident	33 Å²	33	52.5 Å²	52.5	15%	0.154	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	138.1	168.5	-66.9	-170.2	156.3	0	0	110.7	K681 V951 V1012 D1013 R1174	K681-E1172 WeakPolarHBondContact CE-OE1 3.33Å; K681-E1172 IonicContact NZ-OE1 2.61Å; K681-E1172 PolarHBondContact NZ-OE1 3.08Å; V951-E1172 CarbonylContact O-C 3.15Å; V951-E1172 VanDerWaalsContact O-CA 3.23Å; V951-E1172 WeakPolarHBondContact O-CA 3.04Å; V1012-E1172 WeakPolarHBondContact CA-O 3.41Å; D1013-E1172 PolarHBondContact N-O 3.45Å; D1013-E1172 PolarHBondContact O-N 2.89Å; E1172-R1174 HydrophobicContact CB-CG 4.21Å; E1172-R1174 IonicContact OE1-NH2 2.84Å; E1172-R1174 IonicContact OE2-CZ 2.76Å; E1172-R1174 IonicContact OE2-NE 3.74Å; E1172-R1174 PolarHBondContact OE2-NE 2.92Å; E1172-R1174 IonicContact OE2-NH2 2.7Å; E1172-R1174 PolarHBondContact OE2-NH2 2.76Å
1173	C	93.4	Very high	71.8	Confident	34 Å²	34	56 Å²	56	23%	0.23	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	127.7	171.4	-64.4	0	0	0	0	110.6	V951 C952 A1011	V951-C1173 PolarHBondContact O-N 2.03Å; C952-C1173 HydrophobicContact CB-CB 3.56Å; C952-C1173 WeakPolarHBondContact CB-SG 3.28Å; C952-C1173 WeakPolarHBondContact SG-CB 3.48Å; C952-C1173 PolarHBondContact SG-N 2.83Å; C952-C1173 VanDerWaalsContact SG-N 3.35Å; C952-C1173 CovalentContact SG-SG 2.03Å; C952-C1173 PolarHBondContact SG-SG 3.03Å; A1011-C1173 WeakPolarHBondContact O-CA 3.13Å
1174	R	84.7	Confident	68.4	Low	47 Å²	47	60.9 Å²	60.9	18%	0.177	31%	0.314	C	S	.	.			trans	-142.6	55.4	-169.9	-68.4	-62.6	-169.3	157.8	1.1	112.9	Y671 A1011 R1121 E1172 K1176	Y671-R1174 PolarHBondContact O-NH1 2.86Å; A1011-R1174 PolarHBondContact O-N 2.99Å; R1121-R1174 VanDerWaalsContact CD-O 3.27Å; R1121-R1174 WeakPolarHBondContact CD-O 3.34Å; R1121-R1174 PolarHBondContact NE-O 2.87Å; R1121-R1174 VanDerWaalsContact NH2-CB 3.25Å; E1172-R1174 HydrophobicContact CB-CG 4.21Å; E1172-R1174 IonicContact OE1-NH2 2.84Å; E1172-R1174 IonicContact OE2-CZ 2.76Å; E1172-R1174 IonicContact OE2-NE 3.74Å; E1172-R1174 PolarHBondContact OE2-NE 2.92Å; E1172-R1174 IonicContact OE2-NH2 2.7Å; E1172-R1174 PolarHBondContact OE2-NH2 2.76Å; R1174-K1176 VanDerWaalsContact C-N 3.3Å; R1174-K1176 PolarHBondContact O-N 2.95Å
1175	D	69.7	Low	65.1	Low	59 Å²	59	76.1 Å²	76.1	32%	0.316	37%	0.372	S	S	.	.			trans	-58.4	-32.7	-175.1	-111.6	-72.8	0	0	0	115.9	N1010 A1011 K1123	N1010-D1175 WeakPolarHBondContact CB-OD2 2.94Å; A1011-D1175 HydrophobicContact CB-CB 4.36Å; K1123-D1175 WeakPolarHBondContact CE-OD1 3.39Å; K1123-D1175 IonicContact NZ-OD1 3.15Å; K1123-D1175 PolarHBondContact NZ-OD1 2.99Å
1176	K	56.9	Low	63.4	Low	115 Å²	115	79.3 Å²	79.3	50%	0.5	39%	0.388	S	S	.	.	S	Bend	trans	-75.8	126.4	-178.6	-74.4	146.3	-170.7	158.5	0	110.4	E954 R1174 E1178	E954-K1176 IonicContact OE1-NZ 2.76Å; E954-K1176 PolarHBondContact OE1-NZ 2.63Å; E954-K1176 IonicContact OE2-NZ 3.79Å; E954-K1176 PolarHBondContact OE2-NZ 3.46Å; R1174-K1176 VanDerWaalsContact C-N 3.3Å; R1174-K1176 PolarHBondContact O-N 2.95Å; K1176-E1178 PolarHBondContact O-N 2.68Å
1177	P	39.4	Very low	61.6	Low	82 Å²	82	83.5 Å²	83.5	53%	0.532	41%	0.408	S	S	.	.			trans	-76.4	67.8	178.6	32.4	-36	0	0	0	111.6	F1179	P1177-F1179 WeakPolarHBondContact O-CD2 3.46Å; P1177-F1179 PolarHBondContact O-N 2.81Å
1178	E	38.9	Very low	59.6	Low	99 Å²	99	88.1 Å²	88.1	46%	0.463	43%	0.431	S	S	.	.			trans	-58.9	100.9	160.9	-81.4	-86.9	98.5	0	0	108	K657 K1176 P1180	K657-E1178 IonicContact NZ-OE1 2.71Å; K657-E1178 PolarHBondContact NZ-OE1 3.41Å; K657-E1178 IonicContact NZ-OE2 2.79Å; K657-E1178 PolarHBondContact NZ-OE2 2.77Å; K1176-E1178 PolarHBondContact O-N 2.68Å; E1178-P1180 WeakPolarHBondContact O-CD 3.25Å
1179	F	32.8	Very low	57.3	Low	158 Å²	158	92.9 Å²	92.9	69%	0.693	45%	0.454	S	S	*	.			trans	-69.7	114.2	172.2	-72.9	-90.1	0	0	0	109.4	P1177 T1181	P1177-F1179 WeakPolarHBondContact O-CD2 3.46Å; P1177-F1179 PolarHBondContact O-N 2.81Å; F1179-T1181 VanDerWaalsContact C-N 3.27Å; F1179-T1181 PolarHBondContact O-N 2.72Å; F1179-T1181 PolarHBondContact O-OG1 3.47Å
1180	P	28.7	Very low	54.8	Low	75 Å²	75	98.7 Å²	98.7	49%	0.487	48%	0.482	S	S	.	.			trans	-72.3	85.4	176.5	31	-35.3	0	0	0	109.6	E1178 V1182	E1178-P1180 WeakPolarHBondContact O-CD 3.25Å; P1180-V1182 PolarHBondContact O-N 2.97Å
1181	T	28.3	Very low	52	Low	115 Å²	115	101.5 Å²	101.5	71%	0.706	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	12.5	-177.2	26.7	0	0	0	0	113.7	F1179	F1179-T1181 VanDerWaalsContact C-N 3.27Å; F1179-T1181 PolarHBondContact O-N 2.72Å; F1179-T1181 PolarHBondContact O-OG1 3.47Å
1182	V	30.8	Very low	48.7	Very low	119 Å²	119	108.6 Å²	108.6	72%	0.721	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.8	9.6	-170.7	-159.7	0	0	0	0	113.2	P1180	P1180-V1182 PolarHBondContact O-N 2.97Å
1183	F	31.8	Very low	45.2	Very low	109 Å²	109	114.4 Å²	114.4	48%	0.478	56%	0.562	S	S	.	*			trans	-120.6	49.7	168.4	-75.9	-71.3	0	0	0	113.6
1184	I	24.7	Very low	41.2	Very low	155 Å²	155	121.1 Å²	121.1	80%	0.795	59%	0.59	S	S	*	*			trans	-115.9	125.4	162.6	-57.4	177.9	0	0	0	108.8
1185	R	27.4	Very low	37.2	Very low	320 Å²	320	127.8 Å²	127.8	100%	1.208	63%	0.627	S	S	*	*			trans	-142.4	0	168.9	-111.6	-168.3	178.6	-167.9	2.5	110.3

Retrieved 1,185 of 1,185 residues in 330.7 ms (Link to these results)

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