A0A077ZEV4_TRITR Loading...

SpoU methylase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZEV4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 228 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] 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
1M88.9Confident97Very high62 Ų6222.7 Ų22.731%0.30513%0.13SC..  0137.90176.1170.867.500109.4L98 A108M1-L98 HydrophobicContact CE-CB 3.62Å; M1-L98 HydrophobicContact CE-CD2 3.72Å; M1-L98 HydrophobicContact CE-CG 4.17Å; M1-L98 VanDerWaalsContact CE-O 3.23Å; M1-L98 WeakPolarHBondContact CE-O 3.3Å; M1-A108 HydrophobicContact CE-CB 4.19Å; M1-A108 HydrophobicContact SD-CB 3.95Å
2R93.6Very high97Very high86 Ų8632.3 Ų32.333%0.32516%0.163SC..EExtended strand (participates in β ladder)trans-79.6136.3174.2173.6-172.4175.1-162.73.7109.5E30 D70 S106 H107 A108R2-E30 IonicContact CZ-OE1 3.82Å; R2-E30 VanDerWaalsContact CZ-OE1 3.23Å; R2-E30 IonicContact CZ-OE2 3.02Å; R2-E30 IonicContact NE-OE1 3.69Å; R2-E30 PolarHBondContact NE-OE1 2.78Å; R2-E30 IonicContact NE-OE2 2.75Å; R2-E30 PolarHBondContact NE-OE2 3.17Å; R2-E30 IonicContact NH2-OE1 2.78Å; R2-E30 PolarHBondContact NH2-OE1 2.88Å; R2-E30 IonicContact NH2-OE2 3.51Å; R2-E30 PolarHBondContact NH2-OE2 3.48Å; R2-D70 IonicContact NH1-OD2 3.64Å; R2-S106 PolarHBondContact N-O 3.29Å; R2-H107 PolarHBondContact NH1-CE1 3.42Å; R2-H107 PolarHBondContact NH1-ND1 3.06Å; R2-H107 WeakPolarHBondContact O-CA 3.31Å; R2-A108 PolarHBondContact O-N 3.43Å
3I97.5Very high97.1Very high11 Ų1129.9 Ų29.96%0.05615%0.151CC..EExtended strand (participates in β ladder)trans-123.2115.5175.2-53.9179.4000109.2F28 L98 A108 L158 I159I3-F28 HydrophobicContact CB-CD1 4.36Å; I3-F28 HydrophobicContact CB-CE1 3.91Å; I3-F28 HydrophobicContact CD1-CE1 4.4Å; I3-F28 HydrophobicContact CG2-CD1 4.41Å; I3-F28 HydrophobicContact CG2-CE1 3.83Å; I3-L98 HydrophobicContact CD1-CD1 4.31Å; I3-A108 WeakPolarHBondContact CA-O 3.39Å; I3-L158 HydrophobicContact CD1-CD1 4.39Å; I3-I159 HydrophobicContact CB-CD1 4.42Å; I3-I159 HydrophobicContact CD1-CD1 4.33Å; I3-I159 HydrophobicContact CD1-CG1 4.46Å
4T98.3Very high97.2Very high0 Ų032.7 Ų32.70%016%0.163CC..EExtended strand (participates in β ladder)trans-96.1133.4176.2-59.10000110.6I6 E30 R32 H107 A108 A109 L110T4-I6 HydrophobicContact CG2-CG1 4.18Å; T4-E30 HydrophobicContact CG2-CB 4.2Å; T4-E30 PolarHBondContact OG1-OE2 3.22Å; T4-R32 HydrophobicContact CG2-CB 4.48Å; T4-R32 HydrophobicContact CG2-CG 3.66Å; T4-H107 PolarHBondContact OG1-NE2 2.85Å; T4-A108 PolarHBondContact N-O 2.93Å; T4-A109 WeakPolarHBondContact O-CA 3.41Å; T4-L110 PolarHBondContact O-N 3.16Å
5I98.8Very high97.2Very high0 Ų031.4 Ų31.40%016%0.157CC..EExtended strand (participates in β ladder)trans-87.9130.4171.7-56.5-52.7000109L7 M23 F28 E30 L31 R32 L110 F112 V148I5-L7 HydrophobicContact CG2-CD2 4.06Å; I5-M23 HydrophobicContact CB-CE 3.82Å; I5-M23 HydrophobicContact CB-CG 4.44Å; I5-M23 HydrophobicContact CB-SD 3.75Å; I5-M23 HydrophobicContact CG1-CE 3.74Å; I5-M23 HydrophobicContact CG1-CG 3.85Å; I5-M23 HydrophobicContact CG1-SD 3.8Å; I5-M23 HydrophobicContact CG2-SD 3.97Å; I5-F28 HydrophobicContact CD1-CD1 3.96Å; I5-F28 HydrophobicContact CD1-CE1 4.19Å; I5-F28 HydrophobicContact CG1-CD1 4.15Å; I5-E30 PolarHBondContact N-O 3.43Å; I5-L31 HydrophobicContact CB-CD1 4.23Å; I5-L31 HydrophobicContact CG2-CD1 4.02Å; I5-L31 CarbonylContact O-C 3.51Å; I5-L31 WeakPolarHBondContact O-CA 3.19Å; I5-R32 PolarHBondContact O-N 3.33Å; I5-L110 HydrophobicContact CD1-CB 4Å; I5-L110 HydrophobicContact CD1-CD2 4.1Å; I5-F112 HydrophobicContact CD1-CE2 4.39Å; I5-F112 HydrophobicContact CG2-CD2 4.02Å; I5-F112 HydrophobicContact CG2-CE2 3.92Å; I5-V148 HydrophobicContact CG2-CG1 4.44Å; I5-V148 HydrophobicContact CG2-CG2 4.46Å
6I98.8Very high97.3Very high0 Ų029.4 Ų29.40%015%0.147CC..EExtended strand (participates in β ladder)trans-121.6123.6179.3-50.7-171.2000109.2T4 V8 R32 V34 L64 L68 A109 L110 V111 F112T4-I6 HydrophobicContact CG2-CG1 4.18Å; I6-V8 HydrophobicContact CG2-CG2 4.34Å; I6-R32 WeakPolarHBondContact CA-O 3.33Å; I6-R32 HydrophobicContact CG1-CB 4.13Å; I6-R32 HydrophobicContact CG2-CB 4.3Å; I6-V34 HydrophobicContact CG2-CG2 3.82Å; I6-L64 HydrophobicContact CG2-CD1 4.12Å; I6-L68 HydrophobicContact CD1-CD2 3.59Å; I6-L68 HydrophobicContact CD1-CG 4.48Å; I6-A109 HydrophobicContact CD1-CB 3.73Å; I6-A109 HydrophobicContact CG1-CB 4.23Å; I6-L110 PolarHBondContact N-O 3.49Å; I6-V111 HydrophobicContact CB-CG1 4.49Å; I6-V111 HydrophobicContact CB-CG2 4.32Å; I6-V111 HydrophobicContact CD1-CG2 4.41Å; I6-F112 PolarHBondContact O-N 3.09Å
7L98.8Very high97.4Very high0 Ų027.7 Ų27.70%014%0.139CC..EExtended strand (participates in β ladder)trans-105.6120.1174-49.3-179.8000109.1I5 P10 I16 A19 L31 R32 I33 V34 F112 L144 V148I5-L7 HydrophobicContact CG2-CD2 4.06Å; L7-P10 HydrophobicContact CB-CB 4.31Å; L7-P10 HydrophobicContact CB-CG 3.98Å; L7-I16 HydrophobicContact CD1-CG1 4.32Å; L7-A19 HydrophobicContact CD1-CB 4.04Å; L7-L31 HydrophobicContact CD1-CD1 3.9Å; L7-L31 HydrophobicContact CG-CD1 3.77Å; L7-R32 PolarHBondContact N-O 3.46Å; L7-I33 WeakPolarHBondContact O-CA 3.39Å; L7-V34 PolarHBondContact O-N 3.1Å; L7-F112 HydrophobicContact CD2-CB 3.96Å; L7-F112 HydrophobicContact CD2-CD2 4.14Å; L7-F112 HydrophobicContact CD2-CG 4.3Å; L7-L144 HydrophobicContact CD1-CD2 4.39Å; L7-L144 HydrophobicContact CD2-CD1 4.09Å; L7-L144 HydrophobicContact CD2-CD2 4.42Å; L7-L144 HydrophobicContact CD2-CG 4.42Å; L7-V148 HydrophobicContact CD2-CG2 4.03Å
8V98.7Very high97.4Very high1 Ų127.7 Ų27.71%0.00614%0.144CC..EExtended strand (participates in β ladder)trans-97.7117.4-177.8-175.80000110.7I6 P10 V34 L64 V111 F112 G113 R114 L119 E123I6-V8 HydrophobicContact CG2-CG2 4.34Å; V8-P10 VanDerWaalsContact C-CD 3.42Å; V8-V34 HydrophobicContact CB-CB 4.48Å; V8-V34 HydrophobicContact CG1-CB 4.33Å; V8-V34 HydrophobicContact CG1-CG1 4.2Å; V8-V34 HydrophobicContact CG2-CB 4.3Å; V8-V34 HydrophobicContact CG2-CG2 4.44Å; V8-L64 HydrophobicContact CG2-CD1 3.91Å; V8-L64 HydrophobicContact CG2-CD2 4.37Å; V8-V111 HydrophobicContact CG2-CG1 3.59Å; V8-F112 PolarHBondContact N-O 2.99Å; V8-G113 CarbonylContact O-C 3.58Å; V8-R114 WeakPolarHBondContact O-CG 3.44Å; V8-R114 PolarHBondContact O-N 3.42Å; V8-L119 HydrophobicContact CB-CD2 3.84Å; V8-L119 HydrophobicContact CG1-CD2 4.29Å; V8-L119 HydrophobicContact CG2-CD2 3.78Å; V8-E123 WeakPolarHBondContact CG1-OE1 3.24Å
9A98.3Very high97.5Very high16 Ų1626.3 Ų26.313%0.13214%0.136CC..SBendtrans43.950.5-176.200000113.9A11 V34 D35 R114A9-A11 PolarHBondContact O-N 3Å; A9-V34 VanDerWaalsContact CA-O 3.27Å; A9-V34 WeakPolarHBondContact CA-O 3.43Å; A9-V34 PolarHBondContact N-O 3.32Å; A9-D35 HydrophobicContact CB-CB 4.35Å; A9-R114 HydrophobicContact CB-CG 3.76Å
10P98.1Very high97.6Very high1 Ų125 Ų251%0.00613%0.129CC..  trans-60.6127176.427.2-35.6000110.1L7 V8 I16 I33 S36 L144L7-P10 HydrophobicContact CB-CB 4.31Å; L7-P10 HydrophobicContact CB-CG 3.98Å; V8-P10 VanDerWaalsContact C-CD 3.42Å; P10-I16 HydrophobicContact CB-CD1 3.99Å; P10-I16 HydrophobicContact CB-CG1 3.8Å; P10-I16 HydrophobicContact CG-CD1 3.81Å; P10-I16 HydrophobicContact CG-CG1 3.95Å; P10-I33 HydrophobicContact CG-CG2 3.99Å; P10-S36 WeakPolarHBondContact O-CB 3.29Å; P10-S36 PolarHBondContact O-OG 3.37Å; P10-L144 HydrophobicContact CB-CD2 4.04Å
11A97.1Very high97.6Very high73 Ų7329.9 Ų29.960%0.60315%0.146SC*.  trans-86.9-29.7-174.400000113A9 E115A9-A11 PolarHBondContact O-N 3Å; A11-E115 PolarHBondContact N-OE1 2.79Å; A11-E115 PolarHBondContact N-OE2 2.89Å
12R97.3Very high98Very high138 Ų13827.2 Ų27.252%0.52113%0.134SC..  trans-113.4125.6-172.5-62-168.966.81441.6113E14 N15 I16 E115R12-E14 IonicContact CZ-OE1 2.98Å; R12-E14 IonicContact NE-OE1 3.85Å; R12-E14 IonicContact NE-OE2 3.92Å; R12-E14 IonicContact NH2-OE1 3.97Å; R12-E14 PolarHBondContact NH2-OE1 3.24Å; R12-E14 IonicContact NH2-OE2 3.55Å; R12-E14 PolarHBondContact O-N 3.04Å; R12-N15 HydrophobicContact CB-CB 4.36Å; R12-N15 WeakPolarHBondContact O-CB 3.4Å; R12-N15 PolarHBondContact O-N 2.72Å; R12-I16 PolarHBondContact O-N 2.75Å; R12-E115 PolarHBondContact N-OE1 3.43Å; R12-E115 VanDerWaalsContact N-OE1 3.16Å
13A98Very high98.3Very high1 Ų123.1 Ų23.11%0.00812%0.119CC..Hα-helixtrans-54.3-39176.400000113N15 I16 G17 A38 E41 A43 T44A13-N15 VanDerWaalsContact C-N 3.31Å; A13-N15 PolarHBondContact O-N 3.28Å; A13-I16 PolarHBondContact O-N 3.24Å; A13-G17 PolarHBondContact O-N 2.99Å; A13-G17 VanDerWaalsContact O-N 3.09Å; A13-A38 WeakPolarHBondContact CB-O 3.29Å; A13-E41 HydrophobicContact CB-CB 3.68Å; A13-E41 HydrophobicContact CB-CG 4.34Å; A13-A43 HydrophobicContact CB-CB 3.96Å; A13-T44 VanDerWaalsContact CA-OG1 3.26Å; A13-T44 WeakPolarHBondContact CA-OG1 2.98Å; A13-T44 WeakPolarHBondContact CB-OG1 3.23Å; A13-T44 VanDerWaalsContact O-CA 3.29Å; A13-T44 WeakPolarHBondContact O-CA 3.44Å; A13-T44 PolarHBondContact O-OG1 3.46Å
14E98.2Very high98.2Very high69 Ų6926.6 Ų26.632%0.32213%0.133SC..Hα-helixtrans-63.6-36.1179.2-55.897.4132.400112.2R12 G17 A18 A43 V47R12-E14 IonicContact CZ-OE1 2.98Å; R12-E14 IonicContact NE-OE1 3.85Å; R12-E14 IonicContact NE-OE2 3.92Å; R12-E14 IonicContact NH2-OE1 3.97Å; R12-E14 PolarHBondContact NH2-OE1 3.24Å; R12-E14 IonicContact NH2-OE2 3.55Å; R12-E14 PolarHBondContact O-N 3.04Å; E14-G17 PolarHBondContact O-N 3.48Å; E14-A18 WeakPolarHBondContact O-CB 3.31Å; E14-A18 PolarHBondContact O-N 3.43Å; E14-A43 HydrophobicContact CG-CB 4.21Å; E14-V47 HydrophobicContact CB-CG2 3.93Å; E14-V47 HydrophobicContact CG-CG2 4.08Å; E14-V47 WeakPolarHBondContact O-CG1 3.48Å
15N98Very high98.1Very high13 Ų1330.8 Ų30.87%0.0716%0.159CC..Hα-helixtrans-70.4-37.5179.4-73.8-24.7000111.7R12 A13 G17 A18 A19 E115 N143 L144R12-N15 HydrophobicContact CB-CB 4.36Å; R12-N15 WeakPolarHBondContact O-CB 3.4Å; R12-N15 PolarHBondContact O-N 2.72Å; A13-N15 VanDerWaalsContact C-N 3.31Å; A13-N15 PolarHBondContact O-N 3.28Å; N15-G17 VanDerWaalsContact C-N 3.33Å; N15-A18 PolarHBondContact O-N 3.25Å; N15-A19 WeakPolarHBondContact O-CB 3.38Å; N15-A19 PolarHBondContact O-N 3.24Å; N15-E115 WeakPolarHBondContact ND2-CG 3.42Å; N15-E115 PolarHBondContact ND2-OE1 3.02Å; N15-N143 PolarHBondContact OD1-ND2 2.9Å; N15-L144 HydrophobicContact CB-CB 4.11Å; N15-L144 HydrophobicContact CB-CD2 4.07Å; N15-L144 HydrophobicContact CB-CG 4.49Å
16I98.6Very high98Very high0 Ų031.9 Ų31.90%016%0.164CC..Hα-helixtrans-63.2-44174.2-59.4167000109.6L7 P10 R12 A13 A19 A20 L31 I33 A38 H39 T44 I55 I58L7-I16 HydrophobicContact CD1-CG1 4.32Å; P10-I16 HydrophobicContact CB-CD1 3.99Å; P10-I16 HydrophobicContact CB-CG1 3.8Å; P10-I16 HydrophobicContact CG-CD1 3.81Å; P10-I16 HydrophobicContact CG-CG1 3.95Å; R12-I16 PolarHBondContact O-N 2.75Å; A13-I16 PolarHBondContact O-N 3.24Å; I16-A19 PolarHBondContact O-N 2.95Å; I16-A20 PolarHBondContact O-N 3.07Å; I16-L31 HydrophobicContact CG2-CD2 4.38Å; I16-I33 HydrophobicContact CD1-CD1 4.04Å; I16-I33 HydrophobicContact CG1-CD1 4.45Å; I16-I33 HydrophobicContact CG2-CD1 3.92Å; I16-A38 HydrophobicContact CD1-CB 3.78Å; I16-H39 HydrophobicContact CD1-CB 3.99Å; I16-H39 HydrophobicContact CG2-CB 4Å; I16-T44 HydrophobicContact CB-CG2 4.16Å; I16-T44 HydrophobicContact CG2-CG2 3.85Å; I16-I55 HydrophobicContact CG2-CD1 4.46Å; I16-I58 HydrophobicContact CG2-CD1 4.29Å
17G98.4Very high97.8Very high0 Ų033.8 Ų33.80%018%0.184CC..Hα-helixtrans-61.4-44.8174.700000112.5A13 E14 N15 A19 A20 R21 T44 A48A13-G17 PolarHBondContact O-N 2.99Å; A13-G17 VanDerWaalsContact O-N 3.09Å; E14-G17 PolarHBondContact O-N 3.48Å; N15-G17 VanDerWaalsContact C-N 3.33Å; G17-A19 PolarHBondContact O-N 3.3Å; G17-A20 PolarHBondContact O-N 2.89Å; G17-R21 PolarHBondContact O-N 3.47Å; G17-T44 WeakPolarHBondContact CA-O 3.47Å; G17-A48 VanDerWaalsContact O-CA 3.32Å; G17-A48 WeakPolarHBondContact O-CA 3.4Å
18A98.5Very high97.8Very high28 Ų2834.1 Ų34.123%0.23119%0.186CC..Hα-helixtrans-63.1-40.2177.100000112.3E14 N15 R21 A22 V47E14-A18 WeakPolarHBondContact O-CB 3.31Å; E14-A18 PolarHBondContact O-N 3.43Å; N15-A18 PolarHBondContact O-N 3.25Å; A18-R21 PolarHBondContact O-N 3.22Å; A18-A22 WeakPolarHBondContact O-CB 3.05Å; A18-A22 PolarHBondContact O-N 3.42Å; A18-V47 HydrophobicContact CB-CG1 4.03Å
19A98.7Very high97.7Very high0 Ų038 Ų380%021%0.213CC..Hα-helixtrans-62.4-47.6174.300000111.6L7 N15 I16 G17 R21 A22 M23 V148L7-A19 HydrophobicContact CD1-CB 4.04Å; N15-A19 WeakPolarHBondContact O-CB 3.38Å; N15-A19 PolarHBondContact O-N 3.24Å; I16-A19 PolarHBondContact O-N 2.95Å; G17-A19 PolarHBondContact O-N 3.3Å; A19-R21 VanDerWaalsContact C-N 3.29Å; A19-R21 PolarHBondContact O-N 3.14Å; A19-A22 WeakPolarHBondContact O-CB 3.28Å; A19-A22 PolarHBondContact O-N 3.42Å; A19-A22 VanDerWaalsContact O-N 3.17Å; A19-M23 WeakPolarHBondContact O-CB 3.45Å; A19-M23 VanDerWaalsContact O-CG 3.23Å; A19-M23 WeakPolarHBondContact O-CG 3.22Å; A19-M23 PolarHBondContact O-N 3.19Å; A19-V148 HydrophobicContact CB-CB 4.16Å; A19-V148 HydrophobicContact CB-CG1 4.09Å; A19-V148 HydrophobicContact CB-CG2 3.92Å
20A98.5Very high97.6Very high0 Ų040 Ų400%022%0.219CC..Hα-helixtrans-58.8-41.5175.700000111.9I16 G17 M23 K24 L31 A48 I54 I55I16-A20 PolarHBondContact O-N 3.07Å; G17-A20 PolarHBondContact O-N 2.89Å; A20-M23 PolarHBondContact O-N 3.32Å; A20-K24 PolarHBondContact O-N 3.25Å; A20-L31 HydrophobicContact CB-CD2 4.5Å; A20-A48 HydrophobicContact CB-CB 4.4Å; A20-I54 HydrophobicContact CB-CB 4.19Å; A20-I54 HydrophobicContact CB-CG2 3.87Å; A20-I54 WeakPolarHBondContact O-CD1 3.45Å; A20-I55 HydrophobicContact CB-CD1 3.46Å; A20-I55 VanDerWaalsContact CB-CD1 3.46Å; A20-I55 HydrophobicContact CB-CG1 4.26Å
21R98.2Very high97.7Very high129 Ų12940.1 Ų40.149%0.48722%0.22SC..Hα-helixtrans-62.2-44.7175.1-174.8177.8176.2177.4-0.4112.6G17 A18 A19 T25 S51G17-R21 PolarHBondContact O-N 3.47Å; A18-R21 PolarHBondContact O-N 3.22Å; A19-R21 VanDerWaalsContact C-N 3.29Å; A19-R21 PolarHBondContact O-N 3.14Å; R21-T25 WeakPolarHBondContact O-CB 3.44Å; R21-T25 PolarHBondContact O-N 3.23Å; R21-T25 VanDerWaalsContact O-N 3.09Å; R21-T25 PolarHBondContact O-OG1 3.05Å; R21-S51 WeakPolarHBondContact CA-OG 3.12Å
22A98.2Very high97.7Very high6 Ų636.8 Ų36.85%0.0519%0.192CC..Hα-helixtrans-60.5-47.1176.900000111.7A18 A19 T25 M26 V148 M149A18-A22 WeakPolarHBondContact O-CB 3.05Å; A18-A22 PolarHBondContact O-N 3.42Å; A19-A22 WeakPolarHBondContact O-CB 3.28Å; A19-A22 PolarHBondContact O-N 3.42Å; A19-A22 VanDerWaalsContact O-N 3.17Å; A22-T25 PolarHBondContact O-N 3.08Å; A22-M26 WeakPolarHBondContact O-CG 3.36Å; A22-M26 PolarHBondContact O-N 2.79Å; A22-V148 HydrophobicContact CB-CG1 4.08Å; A22-M149 HydrophobicContact CB-CB 3.73Å; A22-M149 HydrophobicContact CB-CG 4.4Å; A22-M149 HydrophobicContact CB-SD 3.93Å
23M98.3Very high97.8Very high0 Ų030.2 Ų30.20%017%0.167CC..Hα-helixtrans-56.5-54.2177.2-72.8170.463.700111.8I5 A19 A20 T25 M26 G27 F28 E30 L31 I54 V148I5-M23 HydrophobicContact CB-CE 3.82Å; I5-M23 HydrophobicContact CB-CG 4.44Å; I5-M23 HydrophobicContact CB-SD 3.75Å; I5-M23 HydrophobicContact CG1-CE 3.74Å; I5-M23 HydrophobicContact CG1-CG 3.85Å; I5-M23 HydrophobicContact CG1-SD 3.8Å; I5-M23 HydrophobicContact CG2-SD 3.97Å; A19-M23 WeakPolarHBondContact O-CB 3.45Å; A19-M23 VanDerWaalsContact O-CG 3.23Å; A19-M23 WeakPolarHBondContact O-CG 3.22Å; A19-M23 PolarHBondContact O-N 3.19Å; A20-M23 PolarHBondContact O-N 3.32Å; M23-T25 VanDerWaalsContact C-N 3.29Å; M23-T25 PolarHBondContact O-N 2.96Å; M23-M26 CarbonylContact O-C 3.51Å; M23-M26 PolarHBondContact O-N 3.09Å; M23-G27 PolarHBondContact O-N 2.78Å; M23-F28 CarbonylContact C-O 3.32Å; M23-F28 VanDerWaalsContact C-O 3.32Å; M23-F28 HydrophobicContact CB-CB 3.8Å; M23-F28 HydrophobicContact CE-CB 4.27Å; M23-F28 HydrophobicContact CG-CB 4.12Å; M23-F28 PolarHBondContact O-N 3.03Å; M23-E30 VanDerWaalsContact CE-C 3.43Å; M23-E30 VanDerWaalsContact CE-O 3.22Å; M23-E30 WeakPolarHBondContact CE-O 3.42Å; M23-L31 HydrophobicContact CE-CB 3.82Å; M23-L31 HydrophobicContact CE-CD1 4.42Å; M23-L31 HydrophobicContact SD-CB 4.16Å; M23-L31 HydrophobicContact SD-CD1 3.87Å; M23-L31 HydrophobicContact SD-CD2 4.34Å; M23-L31 HydrophobicContact SD-CG 4.36Å; M23-I54 HydrophobicContact CB-CD1 3.78Å; M23-I54 HydrophobicContact CE-CD1 4.48Å; M23-I54 HydrophobicContact CE-CG2 4.12Å; M23-I54 HydrophobicContact SD-CG2 4.43Å; M23-V148 HydrophobicContact CG-CG1 3.91Å
24K97Very high97.8Very high84 Ų8430.3 Ų30.337%0.36517%0.168SC..Hα-helixtrans-59.6-42.4-178.3-170.7161.4-174.8164.40112.1A20 M26 G27 G50 D53 I54A20-K24 PolarHBondContact O-N 3.25Å; K24-M26 PolarHBondContact O-N 3.25Å; K24-G27 PolarHBondContact O-N 3.36Å; K24-G50 PolarHBondContact NZ-O 2.91Å; K24-D53 IonicContact NZ-OD1 3.23Å; K24-D53 PolarHBondContact NZ-OD1 3.02Å; K24-D53 IonicContact NZ-OD2 3.23Å; K24-D53 PolarHBondContact NZ-OD2 3.4Å; K24-I54 HydrophobicContact CB-CD1 3.65Å; K24-I54 HydrophobicContact CG-CD1 4.48Å
25T96Very high97.8Very high87 Ų8732.1 Ų32.153%0.53418%0.179SC..Hα-helixtrans-60.2-29.8179.7-55.80000112R21 A22 M23R21-T25 WeakPolarHBondContact O-CB 3.44Å; R21-T25 PolarHBondContact O-N 3.23Å; R21-T25 VanDerWaalsContact O-N 3.09Å; R21-T25 PolarHBondContact O-OG1 3.05Å; A22-T25 PolarHBondContact O-N 3.08Å; M23-T25 VanDerWaalsContact C-N 3.29Å; M23-T25 PolarHBondContact O-N 2.96Å
26M96.5Very high97.8Very high23 Ų2332.3 Ų32.311%0.11318%0.182CC..THydrogen-bonded Turntrans-106.27.7-176.1-62.4-59.516600113.8A22 M23 K24 F28 M149 C152 Y153 A156 Q160A22-M26 WeakPolarHBondContact O-CG 3.36Å; A22-M26 PolarHBondContact O-N 2.79Å; M23-M26 CarbonylContact O-C 3.51Å; M23-M26 PolarHBondContact O-N 3.09Å; K24-M26 PolarHBondContact O-N 3.25Å; M26-F28 HydrophobicContact CB-CD2 3.98Å; M26-F28 HydrophobicContact CB-CE2 4.15Å; M26-M149 HydrophobicContact CE-CE 3.15Å; M26-M149 HydrophobicContact CE-SD 3.73Å; M26-M149 HydrophobicContact CG-SD 4.28Å; M26-C152 HydrophobicContact CB-CB 3.65Å; M26-C152 HydrophobicContact CG-CB 3.85Å; M26-Y153 HydrophobicContact CE-CD2 3.83Å; M26-Y153 HydrophobicContact CE-CG 4.37Å; M26-Y153 HydrophobicContact SD-CD2 4.02Å; M26-A156 HydrophobicContact SD-CB 4.5Å; M26-Q160 PolarHBondContact O-NE2 2.95Å
27G95.3Very high97.8Very high41 Ų4137.9 Ų37.942%0.42321%0.208SC..THydrogen-bonded Turntrans86.810.8175.400000115.5M23 K24M23-G27 PolarHBondContact O-N 2.78Å; K24-G27 PolarHBondContact O-N 3.36Å
28F97.3Very high97.8Very high6 Ų638.2 Ų38.23%0.02621%0.211CC..  trans-87.4138.8172.8-65.6-108.8000109.7I3 I5 M23 M26 I54 C152 L155 I159I3-F28 HydrophobicContact CB-CD1 4.36Å; I3-F28 HydrophobicContact CB-CE1 3.91Å; I3-F28 HydrophobicContact CD1-CE1 4.4Å; I3-F28 HydrophobicContact CG2-CD1 4.41Å; I3-F28 HydrophobicContact CG2-CE1 3.83Å; I5-F28 HydrophobicContact CD1-CD1 3.96Å; I5-F28 HydrophobicContact CD1-CE1 4.19Å; I5-F28 HydrophobicContact CG1-CD1 4.15Å; M23-F28 CarbonylContact C-O 3.32Å; M23-F28 VanDerWaalsContact C-O 3.32Å; M23-F28 HydrophobicContact CB-CB 3.8Å; M23-F28 HydrophobicContact CE-CB 4.27Å; M23-F28 HydrophobicContact CG-CB 4.12Å; M23-F28 PolarHBondContact O-N 3.03Å; M26-F28 HydrophobicContact CB-CD2 3.98Å; M26-F28 HydrophobicContact CB-CE2 4.15Å; F28-I54 WeakPolarHBondContact O-CD1 3.39Å; F28-C152 HydrophobicContact CD2-CB 3.75Å; F28-C152 HydrophobicContact CE2-CB 3.66Å; F28-C152 VanDerWaalsContact CE2-O 3.3Å; F28-C152 WeakPolarHBondContact CE2-O 3.49Å; F28-C152 HydrophobicContact CZ-CB 4.32Å; F28-L155 HydrophobicContact CZ-CB 3.86Å; F28-I159 HydrophobicContact CD1-CD1 3.55Å; F28-I159 HydrophobicContact CD2-CD1 3.87Å; F28-I159 HydrophobicContact CE1-CD1 3.25Å; F28-I159 HydrophobicContact CE2-CD1 3.56Å; F28-I159 HydrophobicContact CG-CD1 3.85Å; F28-I159 HydrophobicContact CZ-CD1 3.24Å; F28-I159 HydrophobicContact CZ-CG1 4.38Å
29S96.5Very high97.7Very high82 Ų8238.1 Ų38.157%0.57321%0.205SC*.  trans-121.9-14.7-174.454.60000114.4
30E97.7Very high97.7Very high58 Ų5843.9 Ų43.927%0.27124%0.236SC..  trans-115.1116.6-168.8-62.8-168.1170.500113.5R2 T4 I5 M23R2-E30 IonicContact CZ-OE1 3.82Å; R2-E30 VanDerWaalsContact CZ-OE1 3.23Å; R2-E30 IonicContact CZ-OE2 3.02Å; R2-E30 IonicContact NE-OE1 3.69Å; R2-E30 PolarHBondContact NE-OE1 2.78Å; R2-E30 IonicContact NE-OE2 2.75Å; R2-E30 PolarHBondContact NE-OE2 3.17Å; R2-E30 IonicContact NH2-OE1 2.78Å; R2-E30 PolarHBondContact NH2-OE1 2.88Å; R2-E30 IonicContact NH2-OE2 3.51Å; R2-E30 PolarHBondContact NH2-OE2 3.48Å; T4-E30 HydrophobicContact CG2-CB 4.2Å; T4-E30 PolarHBondContact OG1-OE2 3.22Å; I5-E30 PolarHBondContact N-O 3.43Å; M23-E30 VanDerWaalsContact CE-C 3.43Å; M23-E30 VanDerWaalsContact CE-O 3.22Å; M23-E30 WeakPolarHBondContact CE-O 3.42Å
31L98.7Very high97.6Very high4 Ų448.9 Ų48.92%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-117.3129.2-179.5-175.353.7000110.2I5 L7 I16 A20 M23 I54 I58 K59I5-L31 HydrophobicContact CB-CD1 4.23Å; I5-L31 HydrophobicContact CG2-CD1 4.02Å; I5-L31 CarbonylContact O-C 3.51Å; I5-L31 WeakPolarHBondContact O-CA 3.19Å; L7-L31 HydrophobicContact CD1-CD1 3.9Å; L7-L31 HydrophobicContact CG-CD1 3.77Å; I16-L31 HydrophobicContact CG2-CD2 4.38Å; A20-L31 HydrophobicContact CB-CD2 4.5Å; M23-L31 HydrophobicContact CE-CB 3.82Å; M23-L31 HydrophobicContact CE-CD1 4.42Å; M23-L31 HydrophobicContact SD-CB 4.16Å; M23-L31 HydrophobicContact SD-CD1 3.87Å; M23-L31 HydrophobicContact SD-CD2 4.34Å; M23-L31 HydrophobicContact SD-CG 4.36Å; L31-I54 HydrophobicContact CB-CG2 3.78Å; L31-I54 HydrophobicContact CD2-CG2 4.02Å; L31-I58 HydrophobicContact CB-CG1 4.14Å; L31-I58 HydrophobicContact CD2-CD1 3.89Å; L31-I58 HydrophobicContact CD2-CG1 3.86Å; L31-I58 HydrophobicContact CG-CG1 4.04Å; L31-K59 PolarHBondContact O-N 3.05Å
32R98.8Very high97.6Very high4 Ų446.7 Ų46.72%0.01526%0.262CS..EExtended strand (participates in β ladder)trans-113.6144.1166.7-58.7179.5-176.7-164.52.9109.9T4 I5 I6 L7 K59 F61 S67 D70T4-R32 HydrophobicContact CG2-CB 4.48Å; T4-R32 HydrophobicContact CG2-CG 3.66Å; I5-R32 PolarHBondContact O-N 3.33Å; I6-R32 WeakPolarHBondContact CA-O 3.33Å; I6-R32 HydrophobicContact CG1-CB 4.13Å; I6-R32 HydrophobicContact CG2-CB 4.3Å; L7-R32 PolarHBondContact N-O 3.46Å; R32-K59 CarbonylContact C-O 3.58Å; R32-K59 VanDerWaalsContact CA-O 3.24Å; R32-K59 WeakPolarHBondContact CA-O 3.18Å; R32-K59 HydrophobicContact CG-CB 4.37Å; R32-F61 HydrophobicContact CB-CD2 4.23Å; R32-F61 HydrophobicContact CB-CE2 4.14Å; R32-F61 HydrophobicContact CG-CD2 4.42Å; R32-F61 HydrophobicContact CG-CE2 3.83Å; R32-S67 PolarHBondContact NH1-O 3.26Å; R32-D70 IonicContact CZ-OD1 2.66Å; R32-D70 VanDerWaalsContact CZ-OD1 3.23Å; R32-D70 IonicContact CZ-OD2 3.93Å; R32-D70 IonicContact NH1-OD1 3.47Å; R32-D70 PolarHBondContact NH1-OD1 3.43Å; R32-D70 IonicContact NH1-OD2 2.92Å; R32-D70 VanDerWaalsContact NH2-CG 3.28Å; R32-D70 IonicContact NH2-OD1 3.61Å; R32-D70 PolarHBondContact NH2-OD1 3Å; R32-D70 IonicContact NH2-OD2 3.23Å; R32-D70 PolarHBondContact NH2-OD2 3.3Å
33I98.8Very high97.6Very high0 Ų047.3 Ų47.30%027%0.266CS..EExtended strand (participates in β ladder)trans-117.5133.3172.2-67.1-176.7000108.3L7 P10 I16 S36 H39 I58 K59 V60 F61L7-I33 WeakPolarHBondContact O-CA 3.39Å; P10-I33 HydrophobicContact CG-CG2 3.99Å; I16-I33 HydrophobicContact CD1-CD1 4.04Å; I16-I33 HydrophobicContact CG1-CD1 4.45Å; I16-I33 HydrophobicContact CG2-CD1 3.92Å; I33-S36 WeakPolarHBondContact CG2-O 3.28Å; I33-H39 HydrophobicContact CD1-CB 3.54Å; I33-I58 HydrophobicContact CB-CG2 4.23Å; I33-I58 HydrophobicContact CD1-CD1 4.03Å; I33-I58 HydrophobicContact CD1-CG2 3.87Å; I33-I58 HydrophobicContact CG1-CG2 3.87Å; I33-K59 PolarHBondContact N-O 3.42Å; I33-V60 CarbonylContact O-C 3.49Å; I33-V60 VanDerWaalsContact O-CA 3.27Å; I33-V60 WeakPolarHBondContact O-CA 3.37Å; I33-F61 PolarHBondContact O-N 3.48Å
34V98.8Very high97.6Very high3 Ų347.3 Ų47.32%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-108.9133.3173.4174.60000108.3I6 L7 V8 A9 S36 F61 T63 L64 S67I6-V34 HydrophobicContact CG2-CG2 3.82Å; L7-V34 PolarHBondContact O-N 3.1Å; V8-V34 HydrophobicContact CB-CB 4.48Å; V8-V34 HydrophobicContact CG1-CB 4.33Å; V8-V34 HydrophobicContact CG1-CG1 4.2Å; V8-V34 HydrophobicContact CG2-CB 4.3Å; V8-V34 HydrophobicContact CG2-CG2 4.44Å; A9-V34 VanDerWaalsContact CA-O 3.27Å; A9-V34 WeakPolarHBondContact CA-O 3.43Å; A9-V34 PolarHBondContact N-O 3.32Å; V34-S36 VanDerWaalsContact C-N 3.32Å; V34-S36 PolarHBondContact O-N 3.31Å; V34-F61 VanDerWaalsContact CA-O 3.32Å; V34-F61 WeakPolarHBondContact CA-O 3.41Å; V34-F61 HydrophobicContact CG2-CB 4.37Å; V34-T63 VanDerWaalsContact CG1-C 3.43Å; V34-L64 HydrophobicContact CG1-CB 4.5Å; V34-L64 HydrophobicContact CG2-CD1 4.5Å; V34-S67 WeakPolarHBondContact CG2-OG 3.27Å
35D98.3Very high97.6Very high106 Ų10649.8 Ų49.857%0.56727%0.274SS*.SBendtrans51.443.2169.8-167.233.7000114.7A9 F61A9-D35 HydrophobicContact CB-CB 4.35Å; D35-F61 PolarHBondContact N-O 2.92Å
36S97.9Very high97.6Very high18 Ų1855.2 Ų55.213%0.12628%0.284CS..  trans-155.1146173.9177.80000112.6P10 I33 V34 A38P10-S36 WeakPolarHBondContact O-CB 3.29Å; P10-S36 PolarHBondContact O-OG 3.37Å; I33-S36 WeakPolarHBondContact CG2-O 3.28Å; V34-S36 VanDerWaalsContact C-N 3.32Å; V34-S36 PolarHBondContact O-N 3.31Å; S36-A38 WeakPolarHBondContact OG-CB 3.44Å; S36-A38 PolarHBondContact OG-N 2.87Å; S36-A38 VanDerWaalsContact OG-N 3.12Å
37Q97.7Very high97.7Very high116 Ų11656.5 Ų56.554%0.54229%0.293SS..  trans-113.65.9172.6-61.2-62.2-33.100112.2H39 L40Q37-H39 PolarHBondContact O-N 3.24Å; Q37-L40 HydrophobicContact CB-CD1 4.27Å; Q37-L40 WeakPolarHBondContact O-CB 3.24Å; Q37-L40 WeakPolarHBondContact O-CG 3.36Å; Q37-L40 PolarHBondContact O-N 2.82Å
38A97.5Very high97.7Very high8 Ų854.6 Ų54.67%0.06627%0.274CS..G310 helixtrans-60.8-22.9-175.400000113.4A13 I16 S36 L40 E41 T44A13-A38 WeakPolarHBondContact CB-O 3.29Å; I16-A38 HydrophobicContact CD1-CB 3.78Å; S36-A38 WeakPolarHBondContact OG-CB 3.44Å; S36-A38 PolarHBondContact OG-N 2.87Å; S36-A38 VanDerWaalsContact OG-N 3.12Å; A38-L40 PolarHBondContact O-N 3.02Å; A38-E41 WeakPolarHBondContact O-CB 3.32Å; A38-E41 PolarHBondContact O-N 2.86Å; A38-E41 VanDerWaalsContact O-N 3.15Å; A38-T44 PolarHBondContact O-OG1 3.48Å
39H97.5Very high97.4Very high25 Ų2560.8 Ų60.812%0.11630%0.302CS..G310 helixtrans-63.5-18175.170.4-74.6000114.2I16 I33 Q37 E41 T44 I58 V60I16-H39 HydrophobicContact CD1-CB 3.99Å; I16-H39 HydrophobicContact CG2-CB 4Å; I33-H39 HydrophobicContact CD1-CB 3.54Å; Q37-H39 PolarHBondContact O-N 3.24Å; H39-E41 VanDerWaalsContact C-N 3.29Å; H39-T44 WeakPolarHBondContact CA-OG1 3.5Å; H39-T44 HydrophobicContact CB-CG2 4.44Å; H39-I58 HydrophobicContact CB-CD1 3.96Å; H39-V60 VanDerWaalsContact CE1-CG2 3.47Å; H39-V60 WeakPolarHBondContact CE1-CG2 3.07Å
40L97.7Very high97.2Very high121 Ų12159.9 Ų59.963%0.63431%0.306SS*.G310 helixtrans-78.8-13.4177.4-60.5-179.7000112.8Q37 A38Q37-L40 HydrophobicContact CB-CD1 4.27Å; Q37-L40 WeakPolarHBondContact O-CB 3.24Å; Q37-L40 WeakPolarHBondContact O-CG 3.36Å; Q37-L40 PolarHBondContact O-N 2.82Å; A38-L40 PolarHBondContact O-N 3.02Å
41E98Very high97.1Very high105 Ų10557.3 Ų57.349%0.49130%0.295SS..SBendtrans-73.7143.1178.1-63.6-178.6-162.400111.2A13 A38 H39 A43 T44A13-E41 HydrophobicContact CB-CB 3.68Å; A13-E41 HydrophobicContact CB-CG 4.34Å; A38-E41 WeakPolarHBondContact O-CB 3.32Å; A38-E41 PolarHBondContact O-N 2.86Å; A38-E41 VanDerWaalsContact O-N 3.15Å; H39-E41 VanDerWaalsContact C-N 3.29Å; E41-A43 PolarHBondContact O-N 3.49Å; E41-T44 PolarHBondContact O-N 2.89Å
42P97.4Very high97Very high84 Ų8457.8 Ų57.855%0.54530%0.3SS..Hα-helixtrans-54-31.5-178.8-28.435.3000114.4T44 R45 W46P42-T44 VanDerWaalsContact C-N 3.25Å; P42-T44 PolarHBondContact O-N 2.84Å; P42-R45 PolarHBondContact O-N 2.85Å; P42-R45 VanDerWaalsContact O-N 3.14Å; P42-W46 HydrophobicContact CB-CD2 4.43Å; P42-W46 HydrophobicContact CB-CH2 4.03Å; P42-W46 HydrophobicContact CB-CZ2 3.68Å; P42-W46 PolarHBondContact O-N 2.96Å; P42-W46 VanDerWaalsContact O-N 3.11Å
43A97.7Very high96.9Very high18 Ų1861 Ų6115%0.14932%0.318CS..Hα-helixtrans-60.2-31.5-179.100000113.2A13 E14 E41 R45 W46 V47A13-A43 HydrophobicContact CB-CB 3.96Å; E14-A43 HydrophobicContact CG-CB 4.21Å; E41-A43 PolarHBondContact O-N 3.49Å; A43-R45 PolarHBondContact O-N 3.23Å; A43-W46 HydrophobicContact CB-CE3 4.22Å; A43-W46 PolarHBondContact O-N 3.19Å; A43-V47 WeakPolarHBondContact O-CG2 3.38Å; A43-V47 PolarHBondContact O-N 3.3Å
44T98Very high96.8Very high0 Ų061.2 Ų61.20%032%0.319CS..Hα-helixtrans-58.7-48.9174.3-66.60000111.1A13 I16 G17 A38 H39 E41 P42 V47 A48 I55A13-T44 VanDerWaalsContact CA-OG1 3.26Å; A13-T44 WeakPolarHBondContact CA-OG1 2.98Å; A13-T44 WeakPolarHBondContact CB-OG1 3.23Å; A13-T44 VanDerWaalsContact O-CA 3.29Å; A13-T44 WeakPolarHBondContact O-CA 3.44Å; A13-T44 PolarHBondContact O-OG1 3.46Å; I16-T44 HydrophobicContact CB-CG2 4.16Å; I16-T44 HydrophobicContact CG2-CG2 3.85Å; G17-T44 WeakPolarHBondContact CA-O 3.47Å; A38-T44 PolarHBondContact O-OG1 3.48Å; H39-T44 WeakPolarHBondContact CA-OG1 3.5Å; H39-T44 HydrophobicContact CB-CG2 4.44Å; E41-T44 PolarHBondContact O-N 2.89Å; P42-T44 VanDerWaalsContact C-N 3.25Å; P42-T44 PolarHBondContact O-N 2.84Å; T44-V47 PolarHBondContact O-N 3.47Å; T44-A48 VanDerWaalsContact O-CB 3.28Å; T44-A48 WeakPolarHBondContact O-CB 3.25Å; T44-A48 PolarHBondContact O-N 3.42Å; T44-I55 HydrophobicContact CG2-CD1 3.56Å; T44-I55 HydrophobicContact CG2-CG1 4.16Å; T44-I55 HydrophobicContact CG2-CG2 4.18Å
45R96.9Very high96.8Very high137 Ų13761.9 Ų61.952%0.51732%0.322SS..Hα-helixtrans-69.4-35.3-179.7-161.2174.8-169.593.3-0.4111.8P42 A43 D56P42-R45 PolarHBondContact O-N 2.85Å; P42-R45 VanDerWaalsContact O-N 3.14Å; A43-R45 PolarHBondContact O-N 3.23Å; R45-D56 IonicContact CZ-OD1 3.34Å; R45-D56 IonicContact NH1-OD1 3.88Å; R45-D56 PolarHBondContact NH1-OD1 3.35Å; R45-D56 IonicContact NH1-OD2 2.73Å; R45-D56 IonicContact NH2-OD1 2.77Å; R45-D56 IonicContact NH2-OD2 3.77Å; R45-D56 PolarHBondContact NH2-OD2 3.28Å
46W97.4Very high96.7Very high200 Ų20061.8 Ų61.876%0.75832%0.322SS*.Hα-helixtrans-62.2-44.7176.4-62.6-20.3000112.3P42 A43P42-W46 HydrophobicContact CB-CD2 4.43Å; P42-W46 HydrophobicContact CB-CH2 4.03Å; P42-W46 HydrophobicContact CB-CZ2 3.68Å; P42-W46 PolarHBondContact O-N 2.96Å; P42-W46 VanDerWaalsContact O-N 3.11Å; A43-W46 HydrophobicContact CB-CE3 4.22Å; A43-W46 PolarHBondContact O-N 3.19Å
47V97.5Very high96.7Very high50 Ų5066.4 Ų66.430%0.30335%0.345SS..Hα-helixtrans-78.1-32.2-178.2-179.70000112.4E14 A18 A43 T44 H49E14-V47 HydrophobicContact CB-CG2 3.93Å; E14-V47 HydrophobicContact CG-CG2 4.08Å; E14-V47 WeakPolarHBondContact O-CG1 3.48Å; A18-V47 HydrophobicContact CB-CG1 4.03Å; A43-V47 WeakPolarHBondContact O-CG2 3.38Å; A43-V47 PolarHBondContact O-N 3.3Å; T44-V47 PolarHBondContact O-N 3.47Å; V47-H49 PolarHBondContact O-N 3.43Å; V47-H49 VanDerWaalsContact O-N 3.13Å
48A96.1Very high96.7Very high1 Ų162 Ų621%0.00833%0.325CS..Hα-helixtrans-60.3-23179.600000114.4G17 A20 T44 G50 S51 I55G17-A48 VanDerWaalsContact O-CA 3.32Å; G17-A48 WeakPolarHBondContact O-CA 3.4Å; A20-A48 HydrophobicContact CB-CB 4.4Å; T44-A48 VanDerWaalsContact O-CB 3.28Å; T44-A48 WeakPolarHBondContact O-CB 3.25Å; T44-A48 PolarHBondContact O-N 3.42Å; A48-G50 PolarHBondContact O-N 3.26Å; A48-S51 WeakPolarHBondContact O-CB 3.49Å; A48-S51 PolarHBondContact O-N 3.2Å; A48-S51 VanDerWaalsContact O-N 3.1Å; A48-S51 PolarHBondContact O-OG 2.87Å; A48-I55 HydrophobicContact CB-CD1 4.33Å; A48-I55 HydrophobicContact CB-CG1 3.98Å
49H91.6Very high96.8Very high136 Ų13667.2 Ų67.263%0.6335%0.346SS*.THydrogen-bonded Turntrans31.183.9171.8-169.379.5000114.9V47 S51V47-H49 PolarHBondContact O-N 3.43Å; V47-H49 VanDerWaalsContact O-N 3.13Å; H49-S51 VanDerWaalsContact C-N 3.33Å
50G92.4Very high96.8Very high64 Ų6468.7 Ų68.766%0.6636%0.357SS*.THydrogen-bonded Turntrans87.8-4.3-179.100000114.8K24 A48K24-G50 PolarHBondContact NZ-O 2.91Å; A48-G50 PolarHBondContact O-N 3.26Å
51S95.5Very high96.9Very high4 Ų464.5 Ų64.53%0.02833%0.334CS..  trans-104.529.9178.5-38.70000113.1R21 A48 H49 D53 I54 I55R21-S51 WeakPolarHBondContact CA-OG 3.12Å; A48-S51 WeakPolarHBondContact O-CB 3.49Å; A48-S51 PolarHBondContact O-N 3.2Å; A48-S51 VanDerWaalsContact O-N 3.1Å; A48-S51 PolarHBondContact O-OG 2.87Å; H49-S51 VanDerWaalsContact C-N 3.33Å; S51-D53 VanDerWaalsContact C-N 3.27Å; S51-D53 WeakPolarHBondContact CA-OD1 3.31Å; S51-D53 PolarHBondContact O-N 2.88Å; S51-I54 PolarHBondContact O-N 3.18Å; S51-I55 PolarHBondContact O-N 3.33Å
52G94.9Very high96.9Very high13 Ų1363.5 Ų63.513%0.13434%0.336CS..Hα-helixtrans-62.8-32-177.500000113.4I54 I55 D56G52-I54 VanDerWaalsContact C-N 3.32Å; G52-I54 PolarHBondContact O-N 3.28Å; G52-I55 CarbonylContact O-C 3.46Å; G52-I55 WeakPolarHBondContact O-CA 3.31Å; G52-I55 WeakPolarHBondContact O-CB 3.1Å; G52-I55 PolarHBondContact O-N 3.11Å; G52-I55 VanDerWaalsContact O-N 3.09Å; G52-D56 WeakPolarHBondContact O-CB 3.44Å; G52-D56 PolarHBondContact O-N 3.44Å; G52-D56 VanDerWaalsContact O-OD2 3.13Å
53D97Very high96.9Very high72 Ų7262.4 Ų62.439%0.38533%0.328SS..Hα-helixtrans-58.3-37.3172.754.6-34.2000113.7K24 S51 N57K24-D53 IonicContact NZ-OD1 3.23Å; K24-D53 PolarHBondContact NZ-OD1 3.02Å; K24-D53 IonicContact NZ-OD2 3.23Å; K24-D53 PolarHBondContact NZ-OD2 3.4Å; S51-D53 VanDerWaalsContact C-N 3.27Å; S51-D53 WeakPolarHBondContact CA-OD1 3.31Å; S51-D53 PolarHBondContact O-N 2.88Å; D53-N57 WeakPolarHBondContact O-CB 3.34Å; D53-N57 PolarHBondContact O-N 2.91Å; D53-N57 PolarHBondContact O-ND2 3.35Å
54I97.8Very high97Very high4 Ų462 Ų622%0.02132%0.323CS..Hα-helixtrans-67.6-42.8173.9-65.4-176.8000109.8A20 M23 K24 F28 L31 S51 G52 N57 I58A20-I54 HydrophobicContact CB-CB 4.19Å; A20-I54 HydrophobicContact CB-CG2 3.87Å; A20-I54 WeakPolarHBondContact O-CD1 3.45Å; M23-I54 HydrophobicContact CB-CD1 3.78Å; M23-I54 HydrophobicContact CE-CD1 4.48Å; M23-I54 HydrophobicContact CE-CG2 4.12Å; M23-I54 HydrophobicContact SD-CG2 4.43Å; K24-I54 HydrophobicContact CB-CD1 3.65Å; K24-I54 HydrophobicContact CG-CD1 4.48Å; F28-I54 WeakPolarHBondContact O-CD1 3.39Å; L31-I54 HydrophobicContact CB-CG2 3.78Å; L31-I54 HydrophobicContact CD2-CG2 4.02Å; S51-I54 PolarHBondContact O-N 3.18Å; G52-I54 VanDerWaalsContact C-N 3.32Å; G52-I54 PolarHBondContact O-N 3.28Å; I54-N57 PolarHBondContact O-N 3.12Å; I54-I58 WeakPolarHBondContact O-CG1 3.45Å; I54-I58 PolarHBondContact O-N 2.88Å
55I97.7Very high97Very high18 Ų1864.6 Ų64.69%0.09235%0.345CS..Hα-helixtrans-63.2-46.1178.5-55.6-54.5000111.2I16 A20 T44 A48 S51 G52 N57 I58I16-I55 HydrophobicContact CG2-CD1 4.46Å; A20-I55 HydrophobicContact CB-CD1 3.46Å; A20-I55 VanDerWaalsContact CB-CD1 3.46Å; A20-I55 HydrophobicContact CB-CG1 4.26Å; T44-I55 HydrophobicContact CG2-CD1 3.56Å; T44-I55 HydrophobicContact CG2-CG1 4.16Å; T44-I55 HydrophobicContact CG2-CG2 4.18Å; A48-I55 HydrophobicContact CB-CD1 4.33Å; A48-I55 HydrophobicContact CB-CG1 3.98Å; S51-I55 PolarHBondContact O-N 3.33Å; G52-I55 CarbonylContact O-C 3.46Å; G52-I55 WeakPolarHBondContact O-CA 3.31Å; G52-I55 WeakPolarHBondContact O-CB 3.1Å; G52-I55 PolarHBondContact O-N 3.11Å; G52-I55 VanDerWaalsContact O-N 3.09Å; I55-N57 PolarHBondContact O-N 2.96Å; I55-I58 HydrophobicContact CB-CD1 4.38Å; I55-I58 HydrophobicContact CD1-CD1 3.92Å; I55-I58 HydrophobicContact CG2-CD1 4.16Å; I55-I58 WeakPolarHBondContact O-CB 3.49Å; I55-I58 WeakPolarHBondContact O-CG1 3.34Å; I55-I58 PolarHBondContact O-N 3.43Å; I55-I58 VanDerWaalsContact O-N 3.17Å
56D97.1Very high97.1Very high104 Ų10462.5 Ų62.556%0.55634%0.341SS*.Hα-helixtrans-65.5-20.7-177.7-62.9-24.3000111.9R45 G52R45-D56 IonicContact CZ-OD1 3.34Å; R45-D56 IonicContact NH1-OD1 3.88Å; R45-D56 PolarHBondContact NH1-OD1 3.35Å; R45-D56 IonicContact NH1-OD2 2.73Å; R45-D56 IonicContact NH2-OD1 2.77Å; R45-D56 IonicContact NH2-OD2 3.77Å; R45-D56 PolarHBondContact NH2-OD2 3.28Å; G52-D56 WeakPolarHBondContact O-CB 3.44Å; G52-D56 PolarHBondContact O-N 3.44Å; G52-D56 VanDerWaalsContact O-OD2 3.13Å
57N97.6Very high97.1Very high115 Ų11553 Ų5362%0.61531%0.305SS*.THydrogen-bonded Turntrans-1069.9178.2-69.6-57.8000114.2D53 I54 I55 K59D53-N57 WeakPolarHBondContact O-CB 3.34Å; D53-N57 PolarHBondContact O-N 2.91Å; D53-N57 PolarHBondContact O-ND2 3.35Å; I54-N57 PolarHBondContact O-N 3.12Å; I55-N57 PolarHBondContact O-N 2.96Å; N57-K59 PolarHBondContact O-N 2.94Å
58I98.2Very high97.2Very high24 Ų2451.5 Ų51.512%0.12330%0.295CS..  trans-57.7132.5176.7-72.4169.8000109.8I16 L31 I33 H39 I54 I55 V60I16-I58 HydrophobicContact CG2-CD1 4.29Å; L31-I58 HydrophobicContact CB-CG1 4.14Å; L31-I58 HydrophobicContact CD2-CD1 3.89Å; L31-I58 HydrophobicContact CD2-CG1 3.86Å; L31-I58 HydrophobicContact CG-CG1 4.04Å; I33-I58 HydrophobicContact CB-CG2 4.23Å; I33-I58 HydrophobicContact CD1-CD1 4.03Å; I33-I58 HydrophobicContact CD1-CG2 3.87Å; I33-I58 HydrophobicContact CG1-CG2 3.87Å; H39-I58 HydrophobicContact CB-CD1 3.96Å; I54-I58 WeakPolarHBondContact O-CG1 3.45Å; I54-I58 PolarHBondContact O-N 2.88Å; I55-I58 HydrophobicContact CB-CD1 4.38Å; I55-I58 HydrophobicContact CD1-CD1 3.92Å; I55-I58 HydrophobicContact CG2-CD1 4.16Å; I55-I58 WeakPolarHBondContact O-CB 3.49Å; I55-I58 WeakPolarHBondContact O-CG1 3.34Å; I55-I58 PolarHBondContact O-N 3.43Å; I55-I58 VanDerWaalsContact O-N 3.17Å; I58-V60 HydrophobicContact CG2-CG2 4.02Å
59K98.5Very high97.2Very high116 Ų11658 Ų5850%0.50433%0.325SS..EExtended strand (participates in β ladder)trans-103129.8167.5-62.8-175.7-178.7-176.50110L31 R32 I33 N57 F61L31-K59 PolarHBondContact O-N 3.05Å; R32-K59 CarbonylContact C-O 3.58Å; R32-K59 VanDerWaalsContact CA-O 3.24Å; R32-K59 WeakPolarHBondContact CA-O 3.18Å; R32-K59 HydrophobicContact CG-CB 4.37Å; I33-K59 PolarHBondContact N-O 3.42Å; N57-K59 PolarHBondContact O-N 2.94Å; K59-F61 HydrophobicContact CB-CD2 4.47Å; K59-F61 HydrophobicContact CB-CE2 3.63Å; K59-F61 HydrophobicContact CB-CZ 4.24Å
60V98.5Very high97.5Very high57 Ų5754 Ų5435%0.34531%0.308SS..EExtended strand (participates in β ladder)trans-105.3135.4-179.2-173.40000109.9I33 H39 I58I33-V60 CarbonylContact O-C 3.49Å; I33-V60 VanDerWaalsContact O-CA 3.27Å; I33-V60 WeakPolarHBondContact O-CA 3.37Å; H39-V60 VanDerWaalsContact CE1-CG2 3.47Å; H39-V60 WeakPolarHBondContact CE1-CG2 3.07Å; I58-V60 HydrophobicContact CG2-CG2 4.02Å
61F98.7Very high97.7Very high32 Ų3252 Ų5214%0.1428%0.283CS..EExtended strand (participates in β ladder)trans-127.2146.9179.6-65-93.9000111R32 I33 V34 D35 K59 E66R32-F61 HydrophobicContact CB-CD2 4.23Å; R32-F61 HydrophobicContact CB-CE2 4.14Å; R32-F61 HydrophobicContact CG-CD2 4.42Å; R32-F61 HydrophobicContact CG-CE2 3.83Å; I33-F61 PolarHBondContact O-N 3.48Å; V34-F61 VanDerWaalsContact CA-O 3.32Å; V34-F61 WeakPolarHBondContact CA-O 3.41Å; V34-F61 HydrophobicContact CG2-CB 4.37Å; D35-F61 PolarHBondContact N-O 2.92Å; K59-F61 HydrophobicContact CB-CD2 4.47Å; K59-F61 HydrophobicContact CB-CE2 3.63Å; K59-F61 HydrophobicContact CB-CZ 4.24Å; F61-E66 HydrophobicContact CD1-CB 4.16Å
62P98.2Very high97.8Very high84 Ų8455.3 Ų55.355%0.54530%0.301SS..SBendtrans-69-36.8175.4-1932.1000113.1E66P62-E66 WeakPolarHBondContact CD-OE2 3.49Å
63T98.5Very high97.8Very high61 Ų6155.2 Ų55.237%0.37430%0.297SS..SBendtrans-132.8155.7-175.366.70000112.1V34 A65 E66 S67V34-T63 VanDerWaalsContact CG1-C 3.43Å; T63-A65 VanDerWaalsContact C-N 3.3Å; T63-A65 PolarHBondContact O-N 2.99Å; T63-E66 PolarHBondContact O-N 3.29Å; T63-E66 WeakPolarHBondContact OG1-CB 3.4Å; T63-E66 VanDerWaalsContact OG1-CG 3.31Å; T63-E66 WeakPolarHBondContact OG1-CG 3.47Å; T63-E66 PolarHBondContact OG1-N 3.12Å; T63-E66 PolarHBondContact OG1-OE1 3.15Å; T63-S67 PolarHBondContact O-N 3.03Å; T63-S67 VanDerWaalsContact O-N 3.13Å
64L98.6Very high97.9Very high9 Ų952.2 Ų52.25%0.04728%0.281CS..Hα-helixtrans-61.9-41175.7178.258.9000110.6I6 V8 V34 E66 S67 L68 V111 E123 L126I6-L64 HydrophobicContact CG2-CD1 4.12Å; V8-L64 HydrophobicContact CG2-CD1 3.91Å; V8-L64 HydrophobicContact CG2-CD2 4.37Å; V34-L64 HydrophobicContact CG1-CB 4.5Å; V34-L64 HydrophobicContact CG2-CD1 4.5Å; L64-E66 PolarHBondContact O-N 3.27Å; L64-S67 WeakPolarHBondContact CD1-OG 2.94Å; L64-S67 CarbonylContact O-C 3.55Å; L64-S67 PolarHBondContact O-N 3.12Å; L64-S67 PolarHBondContact O-OG 3.15Å; L64-L68 HydrophobicContact CD1-CD1 3.97Å; L64-L68 HydrophobicContact CD1-CG 4.07Å; L64-L68 HydrophobicContact CG-CD1 3.9Å; L64-L68 HydrophobicContact CG-CG 4.41Å; L64-L68 WeakPolarHBondContact O-CG 3.46Å; L64-L68 PolarHBondContact O-N 3.25Å; L64-L68 VanDerWaalsContact O-N 3.14Å; L64-V111 HydrophobicContact CD1-CG1 3.75Å; L64-V111 HydrophobicContact CD1-CG2 4.22Å; L64-V111 HydrophobicContact CD2-CG1 4.11Å; L64-E123 HydrophobicContact CB-CG 4.4Å; L64-E123 HydrophobicContact CD2-CB 3.64Å; L64-E123 HydrophobicContact CD2-CG 3.83Å; L64-L126 HydrophobicContact CB-CD1 4.16Å; L64-L126 HydrophobicContact CD2-CD1 4.06Å; L64-L126 HydrophobicContact CG-CD1 3.96Å
65A98.3Very high97.8Very high55 Ų5552.2 Ų52.246%0.45528%0.281SS..Hα-helixtrans-56.9-46.1177.600000112.5T63 S67 L68 H69 L126T63-A65 VanDerWaalsContact C-N 3.3Å; T63-A65 PolarHBondContact O-N 2.99Å; A65-S67 VanDerWaalsContact C-N 3.31Å; A65-S67 PolarHBondContact O-N 3.36Å; A65-L68 PolarHBondContact O-N 2.92Å; A65-L68 VanDerWaalsContact O-N 3.15Å; A65-H69 PolarHBondContact O-N 3.15Å; A65-L126 HydrophobicContact CB-CD1 4.15Å
66E98.6Very high97.8Very high93 Ų9351.4 Ų51.444%0.43528%0.277SS..Hα-helixtrans-65-35.9175.5-73.9169.2-108.700112.3F61 P62 T63 L64 L68 H69F61-E66 HydrophobicContact CD1-CB 4.16Å; P62-E66 WeakPolarHBondContact CD-OE2 3.49Å; T63-E66 PolarHBondContact O-N 3.29Å; T63-E66 WeakPolarHBondContact OG1-CB 3.4Å; T63-E66 VanDerWaalsContact OG1-CG 3.31Å; T63-E66 WeakPolarHBondContact OG1-CG 3.47Å; T63-E66 PolarHBondContact OG1-N 3.12Å; T63-E66 PolarHBondContact OG1-OE1 3.15Å; L64-E66 PolarHBondContact O-N 3.27Å; E66-L68 PolarHBondContact O-N 3.05Å; E66-H69 PolarHBondContact O-N 2.89Å; E66-H69 PolarHBondContact O-ND1 3.46Å
67S98.4Very high97.7Very high0 Ų047.3 Ų47.30%026%0.256CS..Hα-helixtrans-70.3-9.9176.3820000114.1R32 V34 T63 L64 A65R32-S67 PolarHBondContact NH1-O 3.26Å; V34-S67 WeakPolarHBondContact CG2-OG 3.27Å; T63-S67 PolarHBondContact O-N 3.03Å; T63-S67 VanDerWaalsContact O-N 3.13Å; L64-S67 WeakPolarHBondContact CD1-OG 2.94Å; L64-S67 CarbonylContact O-C 3.55Å; L64-S67 PolarHBondContact O-N 3.12Å; L64-S67 PolarHBondContact O-OG 3.15Å; A65-S67 VanDerWaalsContact C-N 3.31Å; A65-S67 PolarHBondContact O-N 3.36Å
68L98.4Very high97.5Very high20 Ų2043 Ų4311%0.10523%0.234CC..THydrogen-bonded Turntrans-107.53179.9-66.1174.9000113.3I6 L64 A65 E66 D70 V71 T74 A109 V111 L126I6-L68 HydrophobicContact CD1-CD2 3.59Å; I6-L68 HydrophobicContact CD1-CG 4.48Å; L64-L68 HydrophobicContact CD1-CD1 3.97Å; L64-L68 HydrophobicContact CD1-CG 4.07Å; L64-L68 HydrophobicContact CG-CD1 3.9Å; L64-L68 HydrophobicContact CG-CG 4.41Å; L64-L68 WeakPolarHBondContact O-CG 3.46Å; L64-L68 PolarHBondContact O-N 3.25Å; L64-L68 VanDerWaalsContact O-N 3.14Å; A65-L68 PolarHBondContact O-N 2.92Å; A65-L68 VanDerWaalsContact O-N 3.15Å; E66-L68 PolarHBondContact O-N 3.05Å; L68-D70 PolarHBondContact O-N 3.4Å; L68-V71 HydrophobicContact CD2-CB 4.2Å; L68-V71 HydrophobicContact CD2-CG1 4.29Å; L68-V71 HydrophobicContact CD2-CG2 4.04Å; L68-V71 WeakPolarHBondContact O-CB 3.31Å; L68-V71 PolarHBondContact O-N 3.5Å; L68-T74 HydrophobicContact CD1-CG2 3.98Å; L68-T74 HydrophobicContact CD2-CG2 3.97Å; L68-A109 HydrophobicContact CD2-CB 3.79Å; L68-V111 HydrophobicContact CD2-CG2 4.44Å; L68-L126 HydrophobicContact CD1-CB 4.1Å
69H97.1Very high96.7Very high136 Ų13643.9 Ų43.963%0.6325%0.245SC*.THydrogen-bonded Turntrans-57.9-26.1-172.273.5-81.3000115.7A65 E66A65-H69 PolarHBondContact O-N 3.15Å; E66-H69 PolarHBondContact O-N 2.89Å; E66-H69 PolarHBondContact O-ND1 3.46Å
70D97.3Very high95.4Very high53 Ų5344.3 Ų44.328%0.28324%0.243SC..THydrogen-bonded Turntrans-111.311.8179.666-34.9000113R2 R32 L68 H107R2-D70 IonicContact NH1-OD2 3.64Å; R32-D70 IonicContact CZ-OD1 2.66Å; R32-D70 VanDerWaalsContact CZ-OD1 3.23Å; R32-D70 IonicContact CZ-OD2 3.93Å; R32-D70 IonicContact NH1-OD1 3.47Å; R32-D70 PolarHBondContact NH1-OD1 3.43Å; R32-D70 IonicContact NH1-OD2 2.92Å; R32-D70 VanDerWaalsContact NH2-CG 3.28Å; R32-D70 IonicContact NH2-OD1 3.61Å; R32-D70 PolarHBondContact NH2-OD1 3Å; R32-D70 IonicContact NH2-OD2 3.23Å; R32-D70 PolarHBondContact NH2-OD2 3.3Å; L68-D70 PolarHBondContact O-N 3.4Å; D70-H107 PolarHBondContact O-ND1 3.36Å; D70-H107 VanDerWaalsContact O-ND1 3.07Å; D70-H107 IonicContact OD2-CE1 3.08Å; D70-H107 IonicContact OD2-ND1 3.54Å
71V97.4Very high93.7Very high22 Ų2246.6 Ų46.613%0.13326%0.262CS..  trans-98.2125.6-176.1175.30000110.2L68 F73 A109L68-V71 HydrophobicContact CD2-CB 4.2Å; L68-V71 HydrophobicContact CD2-CG1 4.29Å; L68-V71 HydrophobicContact CD2-CG2 4.04Å; L68-V71 WeakPolarHBondContact O-CB 3.31Å; L68-V71 PolarHBondContact O-N 3.5Å; V71-F73 VanDerWaalsContact CG1-O 3.3Å; V71-F73 WeakPolarHBondContact CG1-O 3.47Å; V71-A109 HydrophobicContact CB-CB 4.39Å; V71-A109 HydrophobicContact CG1-CB 3.62Å; V71-A109 HydrophobicContact CG2-CB 3.91Å
72D96.4Very high92.1Very high74 Ų7449.9 Ų49.940%0.39627%0.273SS..SBendtrans-78.8-31.3179-56.9-47.7000112.5M105 S106 H107D72-M105 HydrophobicContact CB-CB 4.08Å; D72-M105 HydrophobicContact CB-CG 4.12Å; D72-S106 WeakPolarHBondContact OD2-CA 3.34Å; D72-S106 PolarHBondContact OD2-N 2.83Å; D72-S106 PolarHBondContact OD2-OG 2.95Å; D72-H107 WeakPolarHBondContact CA-O 3.28Å; D72-H107 VanDerWaalsContact CB-O 3.3Å; D72-H107 WeakPolarHBondContact CB-O 3.22Å; D72-H107 PolarHBondContact N-O 2.97Å; D72-H107 PolarHBondContact OD2-N 3.47Å
73F96.5Very high90.3Very high11 Ų1150.8 Ų50.85%0.04829%0.287CS..EExtended strand (participates in β ladder)trans-146.8128.1-175.7-169.2-105.3000112.7V71 V75 L97 L98 K101 M105 H107 A108 A109 D128 V129V71-F73 VanDerWaalsContact CG1-O 3.3Å; V71-F73 WeakPolarHBondContact CG1-O 3.47Å; F73-V75 HydrophobicContact CD1-CG2 4.03Å; F73-V75 HydrophobicContact CE1-CG2 3.67Å; F73-L97 HydrophobicContact CE1-CD2 4.36Å; F73-L97 HydrophobicContact CZ-CD2 4.3Å; F73-L98 HydrophobicContact CD1-CD2 3.86Å; F73-L98 HydrophobicContact CE1-CD2 4.08Å; F73-K101 HydrophobicContact CD1-CD 3.67Å; F73-K101 HydrophobicContact CD2-CD 3.82Å; F73-K101 HydrophobicContact CE1-CD 3.66Å; F73-K101 HydrophobicContact CE2-CD 3.82Å; F73-K101 HydrophobicContact CG-CD 3.76Å; F73-K101 HydrophobicContact CZ-CD 3.75Å; F73-M105 HydrophobicContact CB-CE 4.19Å; F73-M105 HydrophobicContact CB-SD 3.81Å; F73-M105 HydrophobicContact CD2-CE 4.15Å; F73-M105 HydrophobicContact CD2-SD 4.25Å; F73-M105 HydrophobicContact CG-SD 4.23Å; F73-H107 PolarHBondContact N-O 3.14Å; F73-A108 HydrophobicContact CB-CB 4.36Å; F73-A108 CarbonylContact O-C 3.59Å; F73-A108 WeakPolarHBondContact O-CA 3.36Å; F73-A108 WeakPolarHBondContact O-CB 3.34Å; F73-A109 PolarHBondContact O-N 3.36Å; F73-D128 WeakPolarHBondContact CA-OD2 3.49Å; F73-D128 HydrophobicContact CD2-CB 3.71Å; F73-D128 HydrophobicContact CE2-CB 3.29Å; F73-D128 HydrophobicContact CZ-CB 3.87Å; F73-V129 HydrophobicContact CZ-CB 4.14Å
74T97.2Very high88.8Confident9 Ų955.2 Ų55.26%0.05530%0.302CS..EExtended strand (participates in β ladder)trans-115.6126.8-173.7-57.90000112L68 V111 A127 D128 V129L68-T74 HydrophobicContact CD1-CG2 3.98Å; L68-T74 HydrophobicContact CD2-CG2 3.97Å; T74-V111 HydrophobicContact CG2-CG2 3.74Å; T74-A127 HydrophobicContact CG2-CB 4.05Å; T74-D128 PolarHBondContact N-OD2 3.41Å; T74-D128 PolarHBondContact O-N 3.11Å; T74-V129 PolarHBondContact O-N 2.94Å
75V97.2Very high87.4Confident3 Ų357.3 Ų57.32%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-111.8121.1174178.90000108.8F73 L94 L98 A109 L110 V111 V129 T131F73-V75 HydrophobicContact CD1-CG2 4.03Å; F73-V75 HydrophobicContact CE1-CG2 3.67Å; V75-L94 HydrophobicContact CG1-CD1 3.8Å; V75-L94 HydrophobicContact CG1-CD2 3.93Å; V75-L94 HydrophobicContact CG2-CD2 4.15Å; V75-L98 HydrophobicContact CG2-CD2 4.43Å; V75-A109 PolarHBondContact N-O 3.39Å; V75-L110 HydrophobicContact CB-CD1 3.83Å; V75-L110 HydrophobicContact CG1-CD1 3.47Å; V75-L110 VanDerWaalsContact CG1-CD1 3.47Å; V75-L110 CarbonylContact O-C 3.59Å; V75-L110 WeakPolarHBondContact O-CA 3.27Å; V75-V111 PolarHBondContact O-N 3.24Å; V75-V129 WeakPolarHBondContact CA-O 3.23Å; V75-V129 HydrophobicContact CB-CG1 4.48Å; V75-V129 HydrophobicContact CG1-CG1 4.08Å; V75-V129 HydrophobicContact CG2-CG1 4.1Å; V75-T131 HydrophobicContact CG1-CG2 3.3Å
76A96.9Very high85.7Confident1 Ų162.4 Ų62.41%0.00832%0.323CS..EExtended strand (participates in β ladder)trans-109.9132.3178.500000112.5V111 L119 L124 A127 V129 L130 T131A76-V111 HydrophobicContact CB-CB 4.42Å; A76-L119 HydrophobicContact CB-CD1 3.71Å; A76-L124 HydrophobicContact CB-CD2 4.09Å; A76-A127 HydrophobicContact CB-CB 3.42Å; A76-A127 VanDerWaalsContact CB-CB 3.42Å; A76-V129 PolarHBondContact N-O 2.93Å; A76-L130 HydrophobicContact CB-CD2 3.77Å; A76-L130 CarbonylContact O-C 3.59Å; A76-L130 WeakPolarHBondContact O-CA 3.37Å; A76-T131 WeakPolarHBondContact O-CG2 3.33Å; A76-T131 PolarHBondContact O-N 3.34Å
77T95.9Very high84.5Confident18 Ų1866.8 Ų66.811%0.1134%0.337CS..EExtended strand (participates in β ladder)trans-84.6139.4179.564.50000112L110 V111 F112 T131 Y151T77-L110 HydrophobicContact CG2-CD1 3.9Å; T77-L110 HydrophobicContact CG2-CG 4.42Å; T77-V111 WeakPolarHBondContact CG2-O 3.43Å; T77-V111 PolarHBondContact N-O 3.45Å; T77-V111 PolarHBondContact OG1-O 3.43Å; T77-F112 HydrophobicContact CG2-CD1 3.85Å; T77-F112 HydrophobicContact CG2-CE1 3.68Å; T77-F112 HydrophobicContact CG2-CG 4.41Å; T77-F112 HydrophobicContact CG2-CZ 4.09Å; T77-F112 WeakPolarHBondContact OG1-CA 3.11Å; T77-F112 WeakPolarHBondContact OG1-CD1 3.31Å; T77-T131 CarbonylContact C-O 3.53Å; T77-T131 VanDerWaalsContact CA-O 3.3Å; T77-T131 WeakPolarHBondContact CA-O 3.44Å; T77-T131 HydrophobicContact CG2-CG2 3.9Å; T77-Y151 HydrophobicContact CG2-CD2 4.08Å; T77-Y151 HydrophobicContact CG2-CE1 4.42Å; T77-Y151 HydrophobicContact CG2-CE2 3.5Å; T77-Y151 VanDerWaalsContact CG2-CE2 3.5Å
78T91.7Very high84Confident25 Ų2571.2 Ų71.215%0.15336%0.355CS..  trans-145.8145173.6175.60000110.1R80 Y88 L130 T131 G132T78-R80 PolarHBondContact OG1-N 3.37Å; T78-R80 PolarHBondContact OG1-O 2.9Å; T78-Y88 HydrophobicContact CG2-CE2 3.68Å; T78-Y88 PolarHBondContact O-OH 3.5Å; T78-L130 HydrophobicContact CG2-CB 4.44Å; T78-L130 HydrophobicContact CG2-CD1 4.47Å; T78-T131 PolarHBondContact N-O 3.13Å; T78-G132 WeakPolarHBondContact O-CA 3.3Å
79A81.6Confident83.6Confident43 Ų4370.7 Ų70.736%0.35535%0.353SS..SBendtrans-83.8-19.3174.100000112.8M135A79-M135 HydrophobicContact CB-CE 4.08Å
80R71Confident83.4Confident124 Ų12465.9 Ų65.947%0.46833%0.333SS..SBendtrans-120.5132.6-174.5-60.8-173.5-173.8-164.83.2110.2T78 R82 D138T78-R80 PolarHBondContact OG1-N 3.37Å; T78-R80 PolarHBondContact OG1-O 2.9Å; R80-R82 PolarHBondContact O-N 3.44Å; R80-D138 HydrophobicContact CG-CB 4.46Å
81S64.8Low83.3Confident105 Ų10563.7 Ų63.773%0.73432%0.322SS*.  trans-63.1123.5163-177.30000108.5
82R64.4Low83.1Confident102 Ų10267 Ų6739%0.38534%0.342SS..  trans-106122.6-179.6-67.6-67.1-169.4-162.41.6107.2R80 K84 Y85R80-R82 PolarHBondContact O-N 3.44Å; R82-K84 PolarHBondContact O-N 3.06Å; R82-Y85 HydrophobicContact CB-CD2 3.83Å; R82-Y85 HydrophobicContact CB-CE2 4.4Å; R82-Y85 PolarHBondContact O-N 3.47Å
83A59.4Low83.1Confident102 Ų10268.5 Ų68.584%0.84335%0.347SS*.THydrogen-bonded Turntrans-52.7-23-174.500000115.4Y85A83-Y85 VanDerWaalsContact C-N 3.33Å
84K68.4Low83.1Confident155 Ų15568 Ų6867%0.67434%0.344SS*.THydrogen-bonded Turntrans-71.8-23.3177.8-172.4179.4176.1-169.70113.5R82R82-K84 PolarHBondContact O-N 3.06Å
85Y67.8Low83Confident53 Ų5368.6 Ų68.621%0.20835%0.348CS..  trans-106.8122-173.1-63.3-86.2000110.2R82 A83 N121 L124 A125 L130R82-Y85 HydrophobicContact CB-CD2 3.83Å; R82-Y85 HydrophobicContact CB-CE2 4.4Å; R82-Y85 PolarHBondContact O-N 3.47Å; A83-Y85 VanDerWaalsContact C-N 3.33Å; Y85-N121 PolarHBondContact OH-O 2.92Å; Y85-L124 HydrophobicContact CE2-CB 4.24Å; Y85-L124 HydrophobicContact CE2-CD1 4.4Å; Y85-L124 WeakPolarHBondContact OH-CB 3.44Å; Y85-A125 PolarHBondContact OH-N 2.95Å; Y85-L130 HydrophobicContact CD1-CD1 3.67Å; Y85-L130 HydrophobicContact CD1-CG 4.18Å; Y85-L130 HydrophobicContact CD2-CD1 3.62Å; Y85-L130 HydrophobicContact CE1-CD1 4.19Å; Y85-L130 HydrophobicContact CE2-CD1 4.12Å; Y85-L130 HydrophobicContact CG-CD1 3.36Å; Y85-L130 HydrophobicContact CG-CG 4.27Å
86H64.3Low82.9Confident162 Ų16272.1 Ų72.175%0.7537%0.371SS*.  trans-90.6-22.9-176-64.1-60.5000113.5
87Y72.2Confident82.8Confident185 Ų18574.5 Ų74.573%0.72538%0.383SS*.  trans-112120.7-174-57.9-71.8000110.2
88Y87.5Confident82.8Confident93 Ų9373.9 Ų73.937%0.36538%0.379SS..EExtended strand (participates in β ladder)trans-137.3137.4-178.8-162-95.1000108.6T78 L130 T131 G132T78-Y88 HydrophobicContact CG2-CE2 3.68Å; T78-Y88 PolarHBondContact O-OH 3.5Å; Y88-L130 WeakPolarHBondContact CA-O 3.41Å; Y88-L130 HydrophobicContact CD2-CB 3.93Å; Y88-L130 HydrophobicContact CE2-CB 4.35Å; Y88-T131 VanDerWaalsContact CZ-C 3.43Å; Y88-G132 WeakPolarHBondContact OH-CA 3.38Å; Y88-G132 PolarHBondContact OH-N 3.31Å
89A91.4Very high83Confident8 Ų876.8 Ų76.87%0.06639%0.391CS..EExtended strand (participates in β ladder)trans-120.7136.8171.700000108.8E93 L94 V129 L130 T131A89-E93 HydrophobicContact CB-CB 4.09Å; A89-L94 HydrophobicContact CB-CD2 3.71Å; A89-L94 HydrophobicContact CB-CG 4.13Å; A89-V129 HydrophobicContact CB-CG1 4.41Å; A89-L130 PolarHBondContact N-O 3.21Å; A89-T131 WeakPolarHBondContact O-CA 3.36Å; A89-T131 WeakPolarHBondContact O-CB 3.3Å; A89-T131 PolarHBondContact O-OG1 3.41Å
90T92.6Very high83.6Confident35 Ų3579.5 Ų79.522%0.21540%0.397CS..  trans-71.8162.5165.660.30000110V92 E93 L94 P134T90-V92 PolarHBondContact O-N 2.65Å; T90-V92 VanDerWaalsContact O-N 3.1Å; T90-E93 WeakPolarHBondContact CB-OE2 3.23Å; T90-E93 WeakPolarHBondContact CG2-OE2 3.37Å; T90-E93 PolarHBondContact N-OE2 2.97Å; T90-E93 PolarHBondContact O-N 2.78Å; T90-E93 VanDerWaalsContact OG1-CD 3.31Å; T90-E93 VanDerWaalsContact OG1-CG 3.31Å; T90-E93 WeakPolarHBondContact OG1-CG 3.29Å; T90-E93 PolarHBondContact OG1-N 2.62Å; T90-E93 PolarHBondContact OG1-OE2 2.82Å; T90-L94 PolarHBondContact O-N 3.5Å; T90-P134 HydrophobicContact CG2-CG 3.92Å
91P94Very high84.6Confident8 Ų874.8 Ų74.85%0.05238%0.379CS..Hα-helixtrans-51.3-36.3173.4-26.832.4000113.5L94 G132 V133 Y151 Q154P91-L94 PolarHBondContact O-N 2.9Å; P91-G132 WeakPolarHBondContact CD-O 3.41Å; P91-V133 HydrophobicContact CG-CG2 3.98Å; P91-Y151 HydrophobicContact CB-CD1 4.2Å; P91-Y151 HydrophobicContact CB-CE1 4.02Å; P91-Y151 HydrophobicContact CG-CD1 4.25Å; P91-Y151 HydrophobicContact CG-CE1 3.69Å; P91-Q154 VanDerWaalsContact C-CG 3.44Å; P91-Q154 HydrophobicContact CB-CB 4.16Å; P91-Q154 HydrophobicContact CB-CG 3.78Å; P91-Q154 WeakPolarHBondContact O-CG 3.5Å
92V94.8Very high85.9Confident92 Ų9272.3 Ų72.356%0.55836%0.362SS*.Hα-helixtrans-67.6-43.7177.9178.10000111.1T90 L94 V95 P96T90-V92 PolarHBondContact O-N 2.65Å; T90-V92 VanDerWaalsContact O-N 3.1Å; V92-L94 VanDerWaalsContact C-N 3.27Å; V92-L94 PolarHBondContact O-N 2.86Å; V92-V95 PolarHBondContact O-N 2.98Å; V92-P96 VanDerWaalsContact O-CD 3.28Å; V92-P96 WeakPolarHBondContact O-CD 3.22Å
93E95.1Very high87.1Confident104 Ų10472 Ų7249%0.48638%0.376SS..Hα-helixtrans-69.5-24.3178.8-70.3163.5142.100112.7A89 T90 V95 P96 L97A89-E93 HydrophobicContact CB-CB 4.09Å; T90-E93 WeakPolarHBondContact CB-OE2 3.23Å; T90-E93 WeakPolarHBondContact CG2-OE2 3.37Å; T90-E93 PolarHBondContact N-OE2 2.97Å; T90-E93 PolarHBondContact O-N 2.78Å; T90-E93 VanDerWaalsContact OG1-CD 3.31Å; T90-E93 VanDerWaalsContact OG1-CG 3.31Å; T90-E93 WeakPolarHBondContact OG1-CG 3.29Å; T90-E93 PolarHBondContact OG1-N 2.62Å; T90-E93 PolarHBondContact OG1-OE2 2.82Å; E93-V95 VanDerWaalsContact C-N 3.26Å; E93-V95 PolarHBondContact O-N 3.04Å; E93-P96 WeakPolarHBondContact O-CD 3.44Å; E93-P96 WeakPolarHBondContact O-CG 3.27Å; E93-L97 WeakPolarHBondContact O-CB 3.38Å; E93-L97 PolarHBondContact O-N 3.32Å
94L95.8Very high88.8Confident0 Ų074.4 Ų74.40%036%0.363CS..Hα-helixtrans-64.3-28.6172.9-71179.9000112.9V75 A89 T90 P91 V92 L97 L98 V129 T131 Y151 L155V75-L94 HydrophobicContact CG1-CD1 3.8Å; V75-L94 HydrophobicContact CG1-CD2 3.93Å; V75-L94 HydrophobicContact CG2-CD2 4.15Å; A89-L94 HydrophobicContact CB-CD2 3.71Å; A89-L94 HydrophobicContact CB-CG 4.13Å; T90-L94 PolarHBondContact O-N 3.5Å; P91-L94 PolarHBondContact O-N 2.9Å; V92-L94 VanDerWaalsContact C-N 3.27Å; V92-L94 PolarHBondContact O-N 2.86Å; L94-L97 HydrophobicContact CD2-CD2 4.08Å; L94-L97 PolarHBondContact O-N 2.81Å; L94-L98 HydrophobicContact CB-CD1 4.33Å; L94-L98 VanDerWaalsContact O-CB 3.22Å; L94-L98 WeakPolarHBondContact O-CB 3.28Å; L94-L98 VanDerWaalsContact O-CG 3.27Å; L94-L98 WeakPolarHBondContact O-CG 3.47Å; L94-L98 PolarHBondContact O-N 2.89Å; L94-V129 HydrophobicContact CD2-CG1 3.87Å; L94-T131 HydrophobicContact CD1-CG2 4.05Å; L94-Y151 HydrophobicContact CD1-CD1 4.06Å; L94-Y151 HydrophobicContact CD1-CE1 3.73Å; L94-L155 HydrophobicContact CB-CD2 3.97Å
95V96.2Very high89.9Confident22 Ų2268.6 Ų68.613%0.13334%0.339CS..Hα-helixtrans-60.7-60.9-178.1179.20000111.5V92 E93 L97 L98 E99 Q154 L155 L158V92-V95 PolarHBondContact O-N 2.98Å; E93-V95 VanDerWaalsContact C-N 3.26Å; E93-V95 PolarHBondContact O-N 3.04Å; V95-L97 VanDerWaalsContact C-N 3.28Å; V95-L97 PolarHBondContact O-N 3.2Å; V95-L98 PolarHBondContact O-N 3.12Å; V95-E99 VanDerWaalsContact O-CB 3.31Å; V95-E99 WeakPolarHBondContact O-CB 3.35Å; V95-E99 PolarHBondContact O-N 2.96Å; V95-Q154 HydrophobicContact CG2-CG 4.04Å; V95-Q154 WeakPolarHBondContact CG2-O 3.32Å; V95-L155 HydrophobicContact CG2-CD2 4.01Å; V95-L158 HydrophobicContact CG1-CD2 4.03Å; V95-L158 HydrophobicContact CG1-CG 4.4Å
96P95.6Very high91.2Very high77 Ų7770 Ų7050%0.536%0.356SS..Hα-helixtrans-64.5-32.5178.326.1-35.1000112.6V92 E93 E99 E100V92-P96 VanDerWaalsContact O-CD 3.28Å; V92-P96 WeakPolarHBondContact O-CD 3.22Å; E93-P96 WeakPolarHBondContact O-CD 3.44Å; E93-P96 WeakPolarHBondContact O-CG 3.27Å; P96-E99 PolarHBondContact O-N 3.46Å; P96-E100 WeakPolarHBondContact O-CB 3.35Å; P96-E100 PolarHBondContact O-N 2.86Å
97L95Very high92.7Very high52 Ų5262.5 Ų62.527%0.27232%0.322SS..Hα-helixtrans-62.3-48177179.566.9000111.7F73 E93 L94 V95 K101 V129F73-L97 HydrophobicContact CE1-CD2 4.36Å; F73-L97 HydrophobicContact CZ-CD2 4.3Å; E93-L97 WeakPolarHBondContact O-CB 3.38Å; E93-L97 PolarHBondContact O-N 3.32Å; L94-L97 HydrophobicContact CD2-CD2 4.08Å; L94-L97 PolarHBondContact O-N 2.81Å; V95-L97 VanDerWaalsContact C-N 3.28Å; V95-L97 PolarHBondContact O-N 3.2Å; L97-K101 HydrophobicContact CD1-CD 4.42Å; L97-K101 HydrophobicContact CG-CD 4.31Å; L97-K101 WeakPolarHBondContact O-CB 3.3Å; L97-K101 VanDerWaalsContact O-CG 3.29Å; L97-K101 WeakPolarHBondContact O-CG 3.5Å; L97-K101 PolarHBondContact O-N 3.22Å; L97-K101 VanDerWaalsContact O-N 3.12Å; L97-V129 HydrophobicContact CD2-CG1 4.41Å; L97-V129 HydrophobicContact CD2-CG2 4.45Å
98L95.5Very high93.9Very high4 Ų453.8 Ų53.82%0.02129%0.288CS..Hα-helixtrans-75.1-30.9179.1-70.1175.9000111.7M1 I3 F73 V75 L94 V95 S102 A108 L155 L158M1-L98 HydrophobicContact CE-CB 3.62Å; M1-L98 HydrophobicContact CE-CD2 3.72Å; M1-L98 HydrophobicContact CE-CG 4.17Å; M1-L98 VanDerWaalsContact CE-O 3.23Å; M1-L98 WeakPolarHBondContact CE-O 3.3Å; I3-L98 HydrophobicContact CD1-CD1 4.31Å; F73-L98 HydrophobicContact CD1-CD2 3.86Å; F73-L98 HydrophobicContact CE1-CD2 4.08Å; V75-L98 HydrophobicContact CG2-CD2 4.43Å; L94-L98 HydrophobicContact CB-CD1 4.33Å; L94-L98 VanDerWaalsContact O-CB 3.22Å; L94-L98 WeakPolarHBondContact O-CB 3.28Å; L94-L98 VanDerWaalsContact O-CG 3.27Å; L94-L98 WeakPolarHBondContact O-CG 3.47Å; L94-L98 PolarHBondContact O-N 2.89Å; V95-L98 PolarHBondContact O-N 3.12Å; L98-S102 VanDerWaalsContact O-CB 3.27Å; L98-S102 WeakPolarHBondContact O-CB 3.49Å; L98-S102 PolarHBondContact O-N 3.24Å; L98-A108 HydrophobicContact CD2-CB 4.21Å; L98-L155 HydrophobicContact CD1-CD1 3.95Å; L98-L155 HydrophobicContact CD1-CD2 3.88Å; L98-L158 HydrophobicContact CB-CD1 3.52Å; L98-L158 HydrophobicContact CD1-CD1 4.09Å; L98-L158 HydrophobicContact CG-CD1 4.47Å
99E94.7Very high94.4Very high87 Ų8749.4 Ų49.441%0.40727%0.271SS..Hα-helixtrans-62.2-46.4171.7-171169.5-148.600111.2V95 P96 S102 L158V95-E99 VanDerWaalsContact O-CB 3.31Å; V95-E99 WeakPolarHBondContact O-CB 3.35Å; V95-E99 PolarHBondContact O-N 2.96Å; P96-E99 PolarHBondContact O-N 3.46Å; E99-S102 WeakPolarHBondContact O-CB 3.3Å; E99-S102 PolarHBondContact O-N 2.65Å; E99-S102 PolarHBondContact O-OG 3.07Å; E99-L158 HydrophobicContact CB-CD2 3.84Å; E99-L158 HydrophobicContact CG-CD2 4.43Å
100E94Very high94.7Very high100 Ų10049.1 Ų49.147%0.46727%0.268SS..Hα-helixtrans-60.8-52.1175.1-175.2-78.1139.700111.3P96 S102 S103 W104P96-E100 WeakPolarHBondContact O-CB 3.35Å; P96-E100 PolarHBondContact O-N 2.86Å; E100-S102 PolarHBondContact O-N 2.83Å; E100-S103 WeakPolarHBondContact O-CB 3.47Å; E100-S103 PolarHBondContact O-N 2.87Å; E100-S103 PolarHBondContact O-OG 2.76Å; E100-W104 PolarHBondContact OE1-NE1 2.82Å; E100-W104 PolarHBondContact OE2-NE1 3.15Å
101K93.3Very high95Very high24 Ų2447.5 Ų47.510%0.10426%0.258CS..Hα-helixtrans-58.3-33.5178.5-74.2174.6-178.8-70.50112.8F73 L97 S103 W104 M105F73-K101 HydrophobicContact CD1-CD 3.67Å; F73-K101 HydrophobicContact CD2-CD 3.82Å; F73-K101 HydrophobicContact CE1-CD 3.66Å; F73-K101 HydrophobicContact CE2-CD 3.82Å; F73-K101 HydrophobicContact CG-CD 3.76Å; F73-K101 HydrophobicContact CZ-CD 3.75Å; L97-K101 HydrophobicContact CD1-CD 4.42Å; L97-K101 HydrophobicContact CG-CD 4.31Å; L97-K101 WeakPolarHBondContact O-CB 3.3Å; L97-K101 VanDerWaalsContact O-CG 3.29Å; L97-K101 WeakPolarHBondContact O-CG 3.5Å; L97-K101 PolarHBondContact O-N 3.22Å; L97-K101 VanDerWaalsContact O-N 3.12Å; K101-S103 PolarHBondContact O-N 2.87Å; K101-W104 HydrophobicContact CG-CZ2 4.18Å; K101-W104 PolarHBondContact O-N 3.04Å; K101-M105 HydrophobicContact CB-SD 3.87Å; K101-M105 HydrophobicContact CD-SD 3.99Å; K101-M105 HydrophobicContact CG-SD 3.85Å; K101-M105 WeakPolarHBondContact O-CB 3.12Å; K101-M105 PolarHBondContact O-N 2.92Å
102S91.6Very high95.2Very high53 Ų5347.2 Ų47.237%0.37126%0.256SS..THydrogen-bonded Turntrans-60.6-14.117979.60000114.1L98 E99 E100L98-S102 VanDerWaalsContact O-CB 3.27Å; L98-S102 WeakPolarHBondContact O-CB 3.49Å; L98-S102 PolarHBondContact O-N 3.24Å; E99-S102 WeakPolarHBondContact O-CB 3.3Å; E99-S102 PolarHBondContact O-N 2.65Å; E99-S102 PolarHBondContact O-OG 3.07Å; E100-S102 PolarHBondContact O-N 2.83Å
103S90.4Very high95.3Very high97 Ų9743.3 Ų43.368%0.67823%0.234SC*.THydrogen-bonded Turntrans-78.9-18.6174.269.80000114.4E100 K101E100-S103 WeakPolarHBondContact O-CB 3.47Å; E100-S103 PolarHBondContact O-N 2.87Å; E100-S103 PolarHBondContact O-OG 2.76Å; K101-S103 PolarHBondContact O-N 2.87Å
104W93.6Very high95.4Very high152 Ų15240.8 Ų40.858%0.57622%0.22SC*.THydrogen-bonded Turntrans-140.8-2.6-177.459.2-88000115.1E100 K101E100-W104 PolarHBondContact OE1-NE1 2.82Å; E100-W104 PolarHBondContact OE2-NE1 3.15Å; K101-W104 HydrophobicContact CG-CZ2 4.18Å; K101-W104 PolarHBondContact O-N 3.04Å
105M93.1Very high95.3Very high32 Ų3243.2 Ų43.216%0.15823%0.232CC..  trans-121.5143.8173.3-68.6167.1149.100109.9D72 F73 K101D72-M105 HydrophobicContact CB-CB 4.08Å; D72-M105 HydrophobicContact CB-CG 4.12Å; F73-M105 HydrophobicContact CB-CE 4.19Å; F73-M105 HydrophobicContact CB-SD 3.81Å; F73-M105 HydrophobicContact CD2-CE 4.15Å; F73-M105 HydrophobicContact CD2-SD 4.25Å; F73-M105 HydrophobicContact CG-SD 4.23Å; K101-M105 HydrophobicContact CB-SD 3.87Å; K101-M105 HydrophobicContact CD-SD 3.99Å; K101-M105 HydrophobicContact CG-SD 3.85Å; K101-M105 WeakPolarHBondContact O-CB 3.12Å; K101-M105 PolarHBondContact O-N 2.92Å
106S93.5Very high95Very high82 Ų8249.1 Ų49.157%0.57326%0.262SS*.SBendtrans-99.1-31.3-174.372.60000112.6R2 D72R2-S106 PolarHBondContact N-O 3.29Å; D72-S106 WeakPolarHBondContact OD2-CA 3.34Å; D72-S106 PolarHBondContact OD2-N 2.83Å; D72-S106 PolarHBondContact OD2-OG 2.95Å
107H95.8Very high94.8Very high6 Ų649 Ų493%0.02826%0.263CS..EExtended strand (participates in β ladder)trans-141.6118.1-167.5-169.1-179.8000112.3R2 T4 D70 D72 F73R2-H107 PolarHBondContact NH1-CE1 3.42Å; R2-H107 PolarHBondContact NH1-ND1 3.06Å; R2-H107 WeakPolarHBondContact O-CA 3.31Å; T4-H107 PolarHBondContact OG1-NE2 2.85Å; D70-H107 PolarHBondContact O-ND1 3.36Å; D70-H107 VanDerWaalsContact O-ND1 3.07Å; D70-H107 IonicContact OD2-CE1 3.08Å; D70-H107 IonicContact OD2-ND1 3.54Å; D72-H107 WeakPolarHBondContact CA-O 3.28Å; D72-H107 VanDerWaalsContact CB-O 3.3Å; D72-H107 WeakPolarHBondContact CB-O 3.22Å; D72-H107 PolarHBondContact N-O 2.97Å; D72-H107 PolarHBondContact OD2-N 3.47Å; F73-H107 PolarHBondContact N-O 3.14Å
108A97.8Very high94.8Very high1 Ų147.8 Ų47.81%0.00826%0.264CS..EExtended strand (participates in β ladder)trans-110.4157.1170.500000112.1M1 R2 I3 T4 F73 L98M1-A108 HydrophobicContact CE-CB 4.19Å; M1-A108 HydrophobicContact SD-CB 3.95Å; R2-A108 PolarHBondContact O-N 3.43Å; I3-A108 WeakPolarHBondContact CA-O 3.39Å; T4-A108 PolarHBondContact N-O 2.93Å; F73-A108 HydrophobicContact CB-CB 4.36Å; F73-A108 CarbonylContact O-C 3.59Å; F73-A108 WeakPolarHBondContact O-CA 3.36Å; F73-A108 WeakPolarHBondContact O-CB 3.34Å; L98-A108 HydrophobicContact CD2-CB 4.21Å
109A98.4Very high94.7Very high1 Ų148.3 Ų48.31%0.00827%0.266CS..EExtended strand (participates in β ladder)trans-120.7143.1170.200000111.8T4 I6 L68 V71 F73 V75T4-A109 WeakPolarHBondContact O-CA 3.41Å; I6-A109 HydrophobicContact CD1-CB 3.73Å; I6-A109 HydrophobicContact CG1-CB 4.23Å; L68-A109 HydrophobicContact CD2-CB 3.79Å; V71-A109 HydrophobicContact CB-CB 4.39Å; V71-A109 HydrophobicContact CG1-CB 3.62Å; V71-A109 HydrophobicContact CG2-CB 3.91Å; F73-A109 PolarHBondContact O-N 3.36Å; V75-A109 PolarHBondContact N-O 3.39Å
110L98.4Very high94.7Very high3 Ų346.6 Ų46.62%0.01626%0.262CS..EExtended strand (participates in β ladder)trans-114.4115.7169.1-176.165.3000109.6T4 I5 I6 V75 T77 F112 T131 Y151 L155T4-L110 PolarHBondContact O-N 3.16Å; I5-L110 HydrophobicContact CD1-CB 4Å; I5-L110 HydrophobicContact CD1-CD2 4.1Å; I6-L110 PolarHBondContact N-O 3.49Å; V75-L110 HydrophobicContact CB-CD1 3.83Å; V75-L110 HydrophobicContact CG1-CD1 3.47Å; V75-L110 VanDerWaalsContact CG1-CD1 3.47Å; V75-L110 CarbonylContact O-C 3.59Å; V75-L110 WeakPolarHBondContact O-CA 3.27Å; T77-L110 HydrophobicContact CG2-CD1 3.9Å; T77-L110 HydrophobicContact CG2-CG 4.42Å; L110-F112 HydrophobicContact CB-CE2 4.29Å; L110-F112 HydrophobicContact CD2-CE2 3.57Å; L110-F112 HydrophobicContact CD2-CZ 3.47Å; L110-F112 VanDerWaalsContact CD2-CZ 3.47Å; L110-F112 HydrophobicContact CG-CD2 4.4Å; L110-F112 HydrophobicContact CG-CE2 3.52Å; L110-F112 HydrophobicContact CG-CZ 3.79Å; L110-T131 HydrophobicContact CD1-CG2 4.31Å; L110-Y151 HydrophobicContact CD1-CD1 4.25Å; L110-Y151 HydrophobicContact CD1-CE1 4.45Å; L110-Y151 VanDerWaalsContact CD2-CB 3.42Å; L110-Y151 HydrophobicContact CD2-CD1 3.89Å; L110-Y151 HydrophobicContact CD2-CD2 4.4Å; L110-Y151 HydrophobicContact CD2-CG 3.66Å; L110-L155 HydrophobicContact CD2-CD1 4.37Å
111V98.6Very high94.6Very high1 Ų146 Ų461%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-105.2127.5-169-170.20000111I6 V8 L64 L68 T74 V75 A76 T77 L119I6-V111 HydrophobicContact CB-CG1 4.49Å; I6-V111 HydrophobicContact CB-CG2 4.32Å; I6-V111 HydrophobicContact CD1-CG2 4.41Å; V8-V111 HydrophobicContact CG2-CG1 3.59Å; L64-V111 HydrophobicContact CD1-CG1 3.75Å; L64-V111 HydrophobicContact CD1-CG2 4.22Å; L64-V111 HydrophobicContact CD2-CG1 4.11Å; L68-V111 HydrophobicContact CD2-CG2 4.44Å; T74-V111 HydrophobicContact CG2-CG2 3.74Å; V75-V111 PolarHBondContact O-N 3.24Å; A76-V111 HydrophobicContact CB-CB 4.42Å; T77-V111 WeakPolarHBondContact CG2-O 3.43Å; T77-V111 PolarHBondContact N-O 3.45Å; T77-V111 PolarHBondContact OG1-O 3.43Å; V111-L119 HydrophobicContact CB-CD1 4.46Å; V111-L119 HydrophobicContact CG1-CD1 4.06Å; V111-L119 HydrophobicContact CG1-CD2 3.95Å
112F98.4Very high94.7Very high2 Ų251.6 Ų51.61%0.00929%0.288CS..EExtended strand (participates in β ladder)trans-116.1136.3176.3-60.9-96.4000110.5I5 I6 L7 V8 T77 L110 L144 A147 V148 Y151I5-F112 HydrophobicContact CD1-CE2 4.39Å; I5-F112 HydrophobicContact CG2-CD2 4.02Å; I5-F112 HydrophobicContact CG2-CE2 3.92Å; I6-F112 PolarHBondContact O-N 3.09Å; L7-F112 HydrophobicContact CD2-CB 3.96Å; L7-F112 HydrophobicContact CD2-CD2 4.14Å; L7-F112 HydrophobicContact CD2-CG 4.3Å; V8-F112 PolarHBondContact N-O 2.99Å; T77-F112 HydrophobicContact CG2-CD1 3.85Å; T77-F112 HydrophobicContact CG2-CE1 3.68Å; T77-F112 HydrophobicContact CG2-CG 4.41Å; T77-F112 HydrophobicContact CG2-CZ 4.09Å; T77-F112 WeakPolarHBondContact OG1-CA 3.11Å; T77-F112 WeakPolarHBondContact OG1-CD1 3.31Å; L110-F112 HydrophobicContact CB-CE2 4.29Å; L110-F112 HydrophobicContact CD2-CE2 3.57Å; L110-F112 HydrophobicContact CD2-CZ 3.47Å; L110-F112 VanDerWaalsContact CD2-CZ 3.47Å; L110-F112 HydrophobicContact CG-CD2 4.4Å; L110-F112 HydrophobicContact CG-CE2 3.52Å; L110-F112 HydrophobicContact CG-CZ 3.79Å; F112-L144 HydrophobicContact CB-CD1 3.6Å; F112-L144 HydrophobicContact CD1-CD1 4.38Å; F112-L144 HydrophobicContact CG-CD1 4.24Å; F112-A147 HydrophobicContact CD1-CB 4.1Å; F112-A147 HydrophobicContact CE1-CB 3.94Å; F112-V148 HydrophobicContact CD1-CG2 4.05Å; F112-V148 HydrophobicContact CD2-CG2 3.96Å; F112-V148 HydrophobicContact CE1-CG2 3.93Å; F112-V148 HydrophobicContact CE2-CG2 3.86Å; F112-V148 HydrophobicContact CG-CG2 4.05Å; F112-V148 HydrophobicContact CZ-CB 4.32Å; F112-V148 HydrophobicContact CZ-CG2 3.84Å; F112-Y151 AromaticContact CE1-CD2 3.65Å; F112-Y151 HydrophobicContact CE1-CD2 3.65Å; F112-Y151 HydrophobicContact CE1-CE2 4.15Å; F112-Y151 HydrophobicContact CE1-CG 4.47Å; F112-Y151 AromaticContact CZ-CD2 3.77Å; F112-Y151 HydrophobicContact CZ-CD2 3.77Å; F112-Y151 HydrophobicContact CZ-CG 4.15Å
113G97.3Very high94.9Very high9 Ų950.1 Ų50.19%0.09328%0.276CS..  trans-88.6-173.8179.500000114.5V8 L119V8-G113 CarbonylContact O-C 3.58Å; G113-L119 VanDerWaalsContact CA-CD2 3.47Å
114R96.7Very high95.1Very high52 Ų5245.6 Ų45.620%0.19624%0.244CC..BIsolated β-bridgetrans-60.3150.3176.3-61.8158.1-171.582.63.7111V8 A9 D116 G118 E123V8-R114 WeakPolarHBondContact O-CG 3.44Å; V8-R114 PolarHBondContact O-N 3.42Å; A9-R114 HydrophobicContact CB-CG 3.76Å; R114-D116 VanDerWaalsContact C-N 3.32Å; R114-D116 PolarHBondContact O-N 3.33Å; R114-G118 PolarHBondContact N-O 2.78Å; R114-G118 PolarHBondContact NH1-O 2.69Å; R114-G118 VanDerWaalsContact O-CA 3.3Å; R114-G118 WeakPolarHBondContact O-CA 3.38Å; R114-G118 PolarHBondContact O-N 2.89Å; R114-E123 IonicContact CZ-OE1 2.99Å; R114-E123 IonicContact CZ-OE2 2.65Å; R114-E123 VanDerWaalsContact NH1-CD 3.3Å; R114-E123 IonicContact NH1-OE1 3.91Å; R114-E123 PolarHBondContact NH1-OE1 3.07Å; R114-E123 IonicContact NH1-OE2 3.6Å; R114-E123 PolarHBondContact NH1-OE2 2.67Å; R114-E123 IonicContact NH2-OE1 2.79Å; R114-E123 PolarHBondContact NH2-OE1 2.78Å
115E93.4Very high95Very high51 Ų5141.2 Ų41.224%0.23824%0.24CC..THydrogen-bonded Turntrans-61.7-34.8-177.4-69.692.514900114.6A11 R12 N15 L144A11-E115 PolarHBondContact N-OE1 2.79Å; A11-E115 PolarHBondContact N-OE2 2.89Å; R12-E115 PolarHBondContact N-OE1 3.43Å; R12-E115 VanDerWaalsContact N-OE1 3.16Å; N15-E115 WeakPolarHBondContact ND2-CG 3.42Å; N15-E115 PolarHBondContact ND2-OE1 3.02Å; E115-L144 HydrophobicContact CG-CB 4.35Å
116D90.3Very high95.1Very high145 Ų14543.4 Ų43.478%0.77525%0.252SS*.THydrogen-bonded Turntrans-96-32.7-171.163.1-15.1000113.5R114R114-D116 VanDerWaalsContact C-N 3.32Å; R114-D116 PolarHBondContact O-N 3.33Å
117S91.2Very high95.2Very high75 Ų7540.4 Ų40.452%0.52423%0.232SC..THydrogen-bonded Turntrans-126.2-15.8-166.451.50000113.5
118G93.8Very high95.1Very high27 Ų2744.7 Ų44.728%0.27826%0.255SS..BIsolated β-bridgetrans71.6-147.2-176.200000113R114R114-G118 PolarHBondContact N-O 2.78Å; R114-G118 PolarHBondContact NH1-O 2.69Å; R114-G118 VanDerWaalsContact O-CA 3.3Å; R114-G118 WeakPolarHBondContact O-CA 3.38Å; R114-G118 PolarHBondContact O-N 2.89Å
119L95.2Very high94.9Very high14 Ų1445.6 Ų45.67%0.07326%0.261CS..  trans-88.3142.7176.1-65171.2000110.7V8 A76 V111 G113 E123 L124V8-L119 HydrophobicContact CB-CD2 3.84Å; V8-L119 HydrophobicContact CG1-CD2 4.29Å; V8-L119 HydrophobicContact CG2-CD2 3.78Å; A76-L119 HydrophobicContact CB-CD1 3.71Å; V111-L119 HydrophobicContact CB-CD1 4.46Å; V111-L119 HydrophobicContact CG1-CD1 4.06Å; V111-L119 HydrophobicContact CG1-CD2 3.95Å; G113-L119 VanDerWaalsContact CA-CD2 3.47Å; L119-E123 VanDerWaalsContact CA-OE2 3.3Å; L119-E123 WeakPolarHBondContact CA-OE2 3.44Å; L119-E123 HydrophobicContact CB-CB 4.17Å; L119-E123 HydrophobicContact CD2-CB 4.2Å; L119-E123 WeakPolarHBondContact CD2-OE2 3.49Å; L119-L124 HydrophobicContact CB-CD2 3.85Å; L119-L124 HydrophobicContact CB-CG 3.86Å; L119-L124 HydrophobicContact CD1-CD2 3.87Å
120T93.9Very high94.7Very high52 Ų5245.8 Ų45.832%0.31926%0.262SS..  trans-70165.3172.867.60000110.9E122 E123 L124T120-E122 WeakPolarHBondContact CB-OE2 3.41Å; T120-E122 PolarHBondContact O-N 3.07Å; T120-E123 PolarHBondContact N-OE2 2.92Å; T120-E123 PolarHBondContact O-N 3.26Å; T120-E123 WeakPolarHBondContact OG1-CB 3.21Å; T120-E123 WeakPolarHBondContact OG1-CG 3.38Å; T120-E123 PolarHBondContact OG1-N 3.21Å; T120-E123 VanDerWaalsContact OG1-N 3.14Å; T120-E123 PolarHBondContact OG1-OE2 2.66Å; T120-L124 WeakPolarHBondContact O-CB 3.44Å; T120-L124 VanDerWaalsContact O-CG 3.28Å; T120-L124 WeakPolarHBondContact O-CG 3.45Å; T120-L124 PolarHBondContact O-N 2.79Å
121N92.2Very high94.6Very high86 Ų8645.7 Ų45.746%0.4626%0.261SS..Hα-helixtrans-65.1-33.2177.8-73.6-35.9000111.8Y85 A125Y85-N121 PolarHBondContact OH-O 2.92Å; N121-A125 WeakPolarHBondContact O-CB 3.22Å; N121-A125 PolarHBondContact O-N 3.02Å
122E94.4Very high94.3Very high142 Ų14245.8 Ų45.866%0.66426%0.262SS*.Hα-helixtrans-66.7-41.2176.5-63.268.5-150.200110.7T120 A125T120-E122 WeakPolarHBondContact CB-OE2 3.41Å; T120-E122 PolarHBondContact O-N 3.07Å; E122-A125 PolarHBondContact O-N 3.05Å
123E96.4Very high94Very high23 Ų2347.4 Ų47.411%0.10727%0.272CS..Hα-helixtrans-68.9-43.5175.4-72.9161.7179.100112V8 L64 R114 L119 T120 A125 L126V8-E123 WeakPolarHBondContact CG1-OE1 3.24Å; L64-E123 HydrophobicContact CB-CG 4.4Å; L64-E123 HydrophobicContact CD2-CB 3.64Å; L64-E123 HydrophobicContact CD2-CG 3.83Å; R114-E123 IonicContact CZ-OE1 2.99Å; R114-E123 IonicContact CZ-OE2 2.65Å; R114-E123 VanDerWaalsContact NH1-CD 3.3Å; R114-E123 IonicContact NH1-OE1 3.91Å; R114-E123 PolarHBondContact NH1-OE1 3.07Å; R114-E123 IonicContact NH1-OE2 3.6Å; R114-E123 PolarHBondContact NH1-OE2 2.67Å; R114-E123 IonicContact NH2-OE1 2.79Å; R114-E123 PolarHBondContact NH2-OE1 2.78Å; L119-E123 VanDerWaalsContact CA-OE2 3.3Å; L119-E123 WeakPolarHBondContact CA-OE2 3.44Å; L119-E123 HydrophobicContact CB-CB 4.17Å; L119-E123 HydrophobicContact CD2-CB 4.2Å; L119-E123 WeakPolarHBondContact CD2-OE2 3.49Å; T120-E123 PolarHBondContact N-OE2 2.92Å; T120-E123 PolarHBondContact O-N 3.26Å; T120-E123 WeakPolarHBondContact OG1-CB 3.21Å; T120-E123 WeakPolarHBondContact OG1-CG 3.38Å; T120-E123 PolarHBondContact OG1-N 3.21Å; T120-E123 VanDerWaalsContact OG1-N 3.14Å; T120-E123 PolarHBondContact OG1-OE2 2.66Å; E123-A125 PolarHBondContact O-N 3.26Å; E123-L126 WeakPolarHBondContact O-CB 3.41Å; E123-L126 PolarHBondContact O-N 2.85Å; E123-L126 VanDerWaalsContact O-N 3.15Å
124L94.3Very high93.6Very high1 Ų151.8 Ų51.81%0.00530%0.299CS..Hα-helixtrans-61.7-31.6175.5-70.5171.3000112.1A76 Y85 L119 T120 L126 A127 L130A76-L124 HydrophobicContact CB-CD2 4.09Å; Y85-L124 HydrophobicContact CE2-CB 4.24Å; Y85-L124 HydrophobicContact CE2-CD1 4.4Å; Y85-L124 WeakPolarHBondContact OH-CB 3.44Å; L119-L124 HydrophobicContact CB-CD2 3.85Å; L119-L124 HydrophobicContact CB-CG 3.86Å; L119-L124 HydrophobicContact CD1-CD2 3.87Å; T120-L124 WeakPolarHBondContact O-CB 3.44Å; T120-L124 VanDerWaalsContact O-CG 3.28Å; T120-L124 WeakPolarHBondContact O-CG 3.45Å; T120-L124 PolarHBondContact O-N 2.79Å; L124-L126 PolarHBondContact O-N 2.87Å; L124-A127 PolarHBondContact O-N 2.92Å; L124-L130 HydrophobicContact CB-CD2 4.41Å; L124-L130 HydrophobicContact CD2-CD1 4.31Å; L124-L130 HydrophobicContact CD2-CD2 3.74Å
125A92.6Very high93.1Very high60 Ų6052 Ų5250%0.49630%0.303SS..THydrogen-bonded Turntrans-70.6-13.3178.700000113.7Y85 N121 E122 E123 A127Y85-A125 PolarHBondContact OH-N 2.95Å; N121-A125 WeakPolarHBondContact O-CB 3.22Å; N121-A125 PolarHBondContact O-N 3.02Å; E122-A125 PolarHBondContact O-N 3.05Å; E123-A125 PolarHBondContact O-N 3.26Å; A125-A127 VanDerWaalsContact C-N 3.32Å
126L95.1Very high92.9Very high78 Ų7857.3 Ų57.341%0.40834%0.338SS..THydrogen-bonded Turntrans-84-8.4174-62.4174.8000112.9L64 A65 L68 E123 L124L64-L126 HydrophobicContact CB-CD1 4.16Å; L64-L126 HydrophobicContact CD2-CD1 4.06Å; L64-L126 HydrophobicContact CG-CD1 3.96Å; A65-L126 HydrophobicContact CB-CD1 4.15Å; L68-L126 HydrophobicContact CD1-CB 4.1Å; E123-L126 WeakPolarHBondContact O-CB 3.41Å; E123-L126 PolarHBondContact O-N 2.85Å; E123-L126 VanDerWaalsContact O-N 3.15Å; L124-L126 PolarHBondContact O-N 2.87Å
127A94.5Very high92.6Very high20 Ų2052.9 Ų52.917%0.16532%0.322CS..  trans-91.9142.4-17800000112.2T74 A76 L124 A125 L130T74-A127 HydrophobicContact CG2-CB 4.05Å; A76-A127 HydrophobicContact CB-CB 3.42Å; A76-A127 VanDerWaalsContact CB-CB 3.42Å; L124-A127 PolarHBondContact O-N 2.92Å; A125-A127 VanDerWaalsContact C-N 3.32Å; A127-L130 HydrophobicContact CB-CD2 4.01Å
128D94.4Very high91.8Very high95 Ų9553.6 Ų53.651%0.50832%0.32SS..SBendtrans-75.5-32.8172.7-60.3-70.6000111.6F73 T74F73-D128 WeakPolarHBondContact CA-OD2 3.49Å; F73-D128 HydrophobicContact CD2-CB 3.71Å; F73-D128 HydrophobicContact CE2-CB 3.29Å; F73-D128 HydrophobicContact CZ-CB 3.87Å; T74-D128 PolarHBondContact N-OD2 3.41Å; T74-D128 PolarHBondContact O-N 3.11Å
129V93.5Very high91.2Very high20 Ų2061.1 Ų61.112%0.12134%0.342CS..EExtended strand (participates in β ladder)trans-140.4141.5178.7120.70000111F73 T74 V75 A76 A89 L94 L97F73-V129 HydrophobicContact CZ-CB 4.14Å; T74-V129 PolarHBondContact O-N 2.94Å; V75-V129 WeakPolarHBondContact CA-O 3.23Å; V75-V129 HydrophobicContact CB-CG1 4.48Å; V75-V129 HydrophobicContact CG1-CG1 4.08Å; V75-V129 HydrophobicContact CG2-CG1 4.1Å; A76-V129 PolarHBondContact N-O 2.93Å; A89-V129 HydrophobicContact CB-CG1 4.41Å; L94-V129 HydrophobicContact CD2-CG1 3.87Å; L97-V129 HydrophobicContact CD2-CG1 4.41Å; L97-V129 HydrophobicContact CD2-CG2 4.45Å
130L95Very high90.6Very high6 Ų665.2 Ų65.23%0.03137%0.369CS..EExtended strand (participates in β ladder)trans-96.4148.3169.1-58.8-165.4000110.5A76 T78 Y85 Y88 A89 L124 A127A76-L130 HydrophobicContact CB-CD2 3.77Å; A76-L130 CarbonylContact O-C 3.59Å; A76-L130 WeakPolarHBondContact O-CA 3.37Å; T78-L130 HydrophobicContact CG2-CB 4.44Å; T78-L130 HydrophobicContact CG2-CD1 4.47Å; Y85-L130 HydrophobicContact CD1-CD1 3.67Å; Y85-L130 HydrophobicContact CD1-CG 4.18Å; Y85-L130 HydrophobicContact CD2-CD1 3.62Å; Y85-L130 HydrophobicContact CE1-CD1 4.19Å; Y85-L130 HydrophobicContact CE2-CD1 4.12Å; Y85-L130 HydrophobicContact CG-CD1 3.36Å; Y85-L130 HydrophobicContact CG-CG 4.27Å; Y88-L130 WeakPolarHBondContact CA-O 3.41Å; Y88-L130 HydrophobicContact CD2-CB 3.93Å; Y88-L130 HydrophobicContact CE2-CB 4.35Å; A89-L130 PolarHBondContact N-O 3.21Å; L124-L130 HydrophobicContact CB-CD2 4.41Å; L124-L130 HydrophobicContact CD2-CD1 4.31Å; L124-L130 HydrophobicContact CD2-CD2 3.74Å; A127-L130 HydrophobicContact CB-CD2 4.01Å
131T95Very high90.2Very high0 Ų065.5 Ų65.50%037%0.373CS..EExtended strand (participates in β ladder)trans-141.7157178.1177.90000111.3V75 A76 T77 T78 Y88 A89 L94 L110 Y151V75-T131 HydrophobicContact CG1-CG2 3.3Å; A76-T131 WeakPolarHBondContact O-CG2 3.33Å; A76-T131 PolarHBondContact O-N 3.34Å; T77-T131 CarbonylContact C-O 3.53Å; T77-T131 VanDerWaalsContact CA-O 3.3Å; T77-T131 WeakPolarHBondContact CA-O 3.44Å; T77-T131 HydrophobicContact CG2-CG2 3.9Å; T78-T131 PolarHBondContact N-O 3.13Å; Y88-T131 VanDerWaalsContact CZ-C 3.43Å; A89-T131 WeakPolarHBondContact O-CA 3.36Å; A89-T131 WeakPolarHBondContact O-CB 3.3Å; A89-T131 PolarHBondContact O-OG1 3.41Å; L94-T131 HydrophobicContact CD1-CG2 4.05Å; L110-T131 HydrophobicContact CD1-CG2 4.31Å; T131-Y151 WeakPolarHBondContact CB-OH 3.47Å; T131-Y151 HydrophobicContact CG2-CE1 3.67Å; T131-Y151 WeakPolarHBondContact CG2-OH 3.4Å; T131-Y151 VanDerWaalsContact OG1-CE1 3.27Å; T131-Y151 WeakPolarHBondContact OG1-CE1 3.36Å; T131-Y151 PolarHBondContact OG1-OH 3.27Å
132G92.7Very high90.3Very high3 Ų364.3 Ų64.33%0.03137%0.366CS..  trans-165.1148.8167.900000111.5T78 Y88 P91 P134 Y151T78-G132 WeakPolarHBondContact O-CA 3.3Å; Y88-G132 WeakPolarHBondContact OH-CA 3.38Å; Y88-G132 PolarHBondContact OH-N 3.31Å; P91-G132 WeakPolarHBondContact CD-O 3.41Å; G132-P134 WeakPolarHBondContact O-CD 3.45Å; G132-Y151 WeakPolarHBondContact CA-OH 3.47Å; G132-Y151 PolarHBondContact N-OH 3.2Å; G132-Y151 VanDerWaalsContact N-OH 3.15Å
133V91.6Very high90.3Very high37 Ų3760.5 Ų60.522%0.22435%0.351CS..  trans-68.9126.8179.5-1760000107.8P91 M135 L142 V150 Y151P91-V133 HydrophobicContact CG-CG2 3.98Å; V133-M135 WeakPolarHBondContact O-CG 3.2Å; V133-M135 PolarHBondContact O-N 2.91Å; V133-M135 VanDerWaalsContact O-N 3.08Å; V133-L142 HydrophobicContact CB-CD1 3.94Å; V133-L142 HydrophobicContact CG1-CD1 4.15Å; V133-L142 HydrophobicContact CG2-CD1 3.8Å; V133-V150 HydrophobicContact CG1-CG1 4.16Å; V133-V150 HydrophobicContact CG2-CB 4.33Å; V133-V150 HydrophobicContact CG2-CG1 3.67Å; V133-Y151 HydrophobicContact CG2-CE2 3.88Å
134P88.9Confident90.4Very high100 Ų10059.9 Ų59.965%0.64935%0.348SS*.  trans-59.5114.1171.5-23.134000110T90 G132T90-P134 HydrophobicContact CG2-CG 3.92Å; G132-P134 WeakPolarHBondContact O-CD 3.45Å
135M87.5Confident90.5Very high56 Ų5660.1 Ų60.128%0.27635%0.35SS..  trans-112.7153.2178.1-62.5-175.4-57.500109.9A79 V133 A137 L142A79-M135 HydrophobicContact CB-CE 4.08Å; V133-M135 WeakPolarHBondContact O-CG 3.2Å; V133-M135 PolarHBondContact O-N 2.91Å; V133-M135 VanDerWaalsContact O-N 3.08Å; M135-A137 VanDerWaalsContact CB-O 3.31Å; M135-A137 WeakPolarHBondContact CB-O 3.11Å; M135-A137 PolarHBondContact O-N 3.06Å; M135-L142 HydrophobicContact SD-CG 3.92Å
136V88.8Confident90.7Very high163 Ų16362.5 Ų62.599%0.98835%0.351SS*.SBendtrans-63.3-30.8175.3175.80000111.5
137A83.1Confident90.8Very high53 Ų5359.4 Ų59.444%0.43834%0.337SS..SBendtrans-146.3152.5173.400000109.8M135 Y139M135-A137 VanDerWaalsContact CB-O 3.31Å; M135-A137 WeakPolarHBondContact CB-O 3.11Å; M135-A137 PolarHBondContact O-N 3.06Å; A137-Y139 PolarHBondContact O-N 2.87Å
138D74.6Confident91Very high90 Ų9058.5 Ų58.548%0.48133%0.329SS..SBendtrans-68.3-17.3177.8-67.7-2.1000113.2R80R80-D138 HydrophobicContact CG-CB 4.46Å
139Y80.9Confident91.2Very high185 Ų18557.4 Ų57.473%0.72532%0.322SS*.SBendtrans-140.8138.2179.7-174.1-93.7000111.8A137A137-Y139 PolarHBondContact O-N 2.87Å
140P82.4Confident91.4Very high100 Ų10059 Ų5965%0.64933%0.331SS*.SBendcis-64.4142.5-5.929.1-35.2000112
141S87.2Confident91.5Very high58 Ų5858.8 Ų58.841%0.40633%0.33SS..PPolyproline II helixtrans-75.2161.917452.20000110.8N143S141-N143 PolarHBondContact O-N 2.76Å
142L93Very high91.6Very high61 Ų6158.8 Ų58.832%0.31933%0.33SS..PPolyproline II helixtrans-59138.9172.8-68.2175.6000111V133 M135 A147 V150V133-L142 HydrophobicContact CB-CD1 3.94Å; V133-L142 HydrophobicContact CG1-CD1 4.15Å; V133-L142 HydrophobicContact CG2-CD1 3.8Å; M135-L142 HydrophobicContact SD-CG 3.92Å; L142-A147 HydrophobicContact CB-CB 4.15Å; L142-V150 HydrophobicContact CD1-CG2 4.47Å
143N95.6Very high91.9Very high62 Ų6266 Ų6633%0.33236%0.358SS..PPolyproline II helixtrans-60149166.8168-87.6000110.2N15 S141 G145 Q146 A147N15-N143 PolarHBondContact OD1-ND2 2.9Å; S141-N143 PolarHBondContact O-N 2.76Å; N143-G145 PolarHBondContact O-N 2.98Å; N143-G145 PolarHBondContact OD1-N 3.31Å; N143-Q146 HydrophobicContact CB-CB 4.28Å; N143-Q146 HydrophobicContact CB-CG 4.01Å; N143-Q146 CarbonylContact O-C 3.59Å; N143-Q146 WeakPolarHBondContact O-CA 3.27Å; N143-Q146 WeakPolarHBondContact O-CB 3.47Å; N143-Q146 PolarHBondContact O-N 3.01Å; N143-A147 PolarHBondContact O-N 2.78Å
144L97.1Very high92.1Very high10 Ų1066.8 Ų66.85%0.05236%0.359CS..Hα-helixtrans-53.1-48.1-177.3-178.459.8000113.3L7 P10 N15 F112 E115 Q146 A147 V148L7-L144 HydrophobicContact CD1-CD2 4.39Å; L7-L144 HydrophobicContact CD2-CD1 4.09Å; L7-L144 HydrophobicContact CD2-CD2 4.42Å; L7-L144 HydrophobicContact CD2-CG 4.42Å; P10-L144 HydrophobicContact CB-CD2 4.04Å; N15-L144 HydrophobicContact CB-CB 4.11Å; N15-L144 HydrophobicContact CB-CD2 4.07Å; N15-L144 HydrophobicContact CB-CG 4.49Å; F112-L144 HydrophobicContact CB-CD1 3.6Å; F112-L144 HydrophobicContact CD1-CD1 4.38Å; F112-L144 HydrophobicContact CG-CD1 4.24Å; E115-L144 HydrophobicContact CG-CB 4.35Å; L144-Q146 VanDerWaalsContact C-N 3.32Å; L144-Q146 PolarHBondContact O-N 3.21Å; L144-A147 PolarHBondContact O-N 2.95Å; L144-V148 VanDerWaalsContact O-CG2 3.31Å; L144-V148 WeakPolarHBondContact O-CG2 3.1Å; L144-V148 PolarHBondContact O-N 3.47Å
145G97.5Very high92.5Very high5 Ų562.1 Ų62.15%0.05233%0.329CS..Hα-helixtrans-65.2-35.2177.900000113N143 M149N143-G145 PolarHBondContact O-N 2.98Å; N143-G145 PolarHBondContact OD1-N 3.31Å; G145-M149 WeakPolarHBondContact O-CB 3.34Å; G145-M149 PolarHBondContact O-N 3.1Å
146Q97.1Very high92.8Very high110 Ų11059.8 Ų59.851%0.51432%0.318SS..Hα-helixtrans-68.5-43.4175.1-65.6175-28.800111.6N143 L144 M149 V150N143-Q146 HydrophobicContact CB-CB 4.28Å; N143-Q146 HydrophobicContact CB-CG 4.01Å; N143-Q146 CarbonylContact O-C 3.59Å; N143-Q146 WeakPolarHBondContact O-CA 3.27Å; N143-Q146 WeakPolarHBondContact O-CB 3.47Å; N143-Q146 PolarHBondContact O-N 3.01Å; L144-Q146 VanDerWaalsContact C-N 3.32Å; L144-Q146 PolarHBondContact O-N 3.21Å; Q146-M149 WeakPolarHBondContact O-CB 3.47Å; Q146-M149 PolarHBondContact O-N 3.47Å; Q146-V150 WeakPolarHBondContact O-CG2 3.34Å; Q146-V150 PolarHBondContact O-N 3.09Å
147A97Very high92.9Very high14 Ų1455.9 Ų55.912%0.11630%0.295CS..Hα-helixtrans-59.1-49.3175.600000110.2F112 L142 N143 L144 M149 V150 Y151F112-A147 HydrophobicContact CD1-CB 4.1Å; F112-A147 HydrophobicContact CE1-CB 3.94Å; L142-A147 HydrophobicContact CB-CB 4.15Å; N143-A147 PolarHBondContact O-N 2.78Å; L144-A147 PolarHBondContact O-N 2.95Å; A147-M149 VanDerWaalsContact C-N 3.31Å; A147-M149 PolarHBondContact O-N 2.78Å; A147-V150 PolarHBondContact O-N 3.4Å; A147-Y151 VanDerWaalsContact O-CD2 3.3Å; A147-Y151 WeakPolarHBondContact O-CD2 3.11Å; A147-Y151 PolarHBondContact O-N 3.37Å
148V98.3Very high93.3Very high0 Ų054.8 Ų54.80%028%0.282CS..Hα-helixtrans-56.3-45175.8173.50000111.1I5 L7 A19 A22 M23 F112 L144 Y151 C152I5-V148 HydrophobicContact CG2-CG1 4.44Å; I5-V148 HydrophobicContact CG2-CG2 4.46Å; L7-V148 HydrophobicContact CD2-CG2 4.03Å; A19-V148 HydrophobicContact CB-CB 4.16Å; A19-V148 HydrophobicContact CB-CG1 4.09Å; A19-V148 HydrophobicContact CB-CG2 3.92Å; A22-V148 HydrophobicContact CB-CG1 4.08Å; M23-V148 HydrophobicContact CG-CG1 3.91Å; F112-V148 HydrophobicContact CD1-CG2 4.05Å; F112-V148 HydrophobicContact CD2-CG2 3.96Å; F112-V148 HydrophobicContact CE1-CG2 3.93Å; F112-V148 HydrophobicContact CE2-CG2 3.86Å; F112-V148 HydrophobicContact CG-CG2 4.05Å; F112-V148 HydrophobicContact CZ-CB 4.32Å; F112-V148 HydrophobicContact CZ-CG2 3.84Å; L144-V148 VanDerWaalsContact O-CG2 3.31Å; L144-V148 WeakPolarHBondContact O-CG2 3.1Å; L144-V148 PolarHBondContact O-N 3.47Å; V148-Y151 PolarHBondContact O-N 2.83Å; V148-C152 VanDerWaalsContact O-CB 3.3Å; V148-C152 WeakPolarHBondContact O-CB 3.35Å; V148-C152 PolarHBondContact O-N 3.34Å; V148-C152 PolarHBondContact O-SG 3.48Å
149M98Very high93.8Very high72 Ų7253.6 Ų53.636%0.35528%0.275SS..Hα-helixtrans-59.6-46.4177-178.264.3172.600113.4A22 M26 G145 Q146 A147 Y151 C152 Y153A22-M149 HydrophobicContact CB-CB 3.73Å; A22-M149 HydrophobicContact CB-CG 4.4Å; A22-M149 HydrophobicContact CB-SD 3.93Å; M26-M149 HydrophobicContact CE-CE 3.15Å; M26-M149 HydrophobicContact CE-SD 3.73Å; M26-M149 HydrophobicContact CG-SD 4.28Å; G145-M149 WeakPolarHBondContact O-CB 3.34Å; G145-M149 PolarHBondContact O-N 3.1Å; Q146-M149 WeakPolarHBondContact O-CB 3.47Å; Q146-M149 PolarHBondContact O-N 3.47Å; A147-M149 VanDerWaalsContact C-N 3.31Å; A147-M149 PolarHBondContact O-N 2.78Å; M149-Y151 VanDerWaalsContact C-N 3.34Å; M149-Y151 PolarHBondContact O-N 3.35Å; M149-C152 PolarHBondContact O-N 3.28Å; M149-Y153 VanDerWaalsContact O-CB 3.27Å; M149-Y153 WeakPolarHBondContact O-CB 3.28Å; M149-Y153 PolarHBondContact O-N 3.2Å
150V97.3Very high93.7Very high53 Ų5349.7 Ų49.732%0.32126%0.263SS..Hα-helixtrans-59.3-47-179.9170.10000110.7V133 L142 Q146 A147 Q154V133-V150 HydrophobicContact CG1-CG1 4.16Å; V133-V150 HydrophobicContact CG2-CB 4.33Å; V133-V150 HydrophobicContact CG2-CG1 3.67Å; L142-V150 HydrophobicContact CD1-CG2 4.47Å; Q146-V150 WeakPolarHBondContact O-CG2 3.34Å; Q146-V150 PolarHBondContact O-N 3.09Å; A147-V150 PolarHBondContact O-N 3.4Å; V150-Q154 WeakPolarHBondContact O-CB 3.45Å; V150-Q154 PolarHBondContact O-N 2.85Å
151Y98Very high92.8Very high3 Ų350.4 Ų50.41%0.01226%0.258CS..Hα-helixtrans-69-44.6178.7-80.7-79.6000112.7T77 P91 L94 L110 F112 T131 G132 V133 A147 V148 M149 Y153 Q154 L155T77-Y151 HydrophobicContact CG2-CD2 4.08Å; T77-Y151 HydrophobicContact CG2-CE1 4.42Å; T77-Y151 HydrophobicContact CG2-CE2 3.5Å; T77-Y151 VanDerWaalsContact CG2-CE2 3.5Å; P91-Y151 HydrophobicContact CB-CD1 4.2Å; P91-Y151 HydrophobicContact CB-CE1 4.02Å; P91-Y151 HydrophobicContact CG-CD1 4.25Å; P91-Y151 HydrophobicContact CG-CE1 3.69Å; L94-Y151 HydrophobicContact CD1-CD1 4.06Å; L94-Y151 HydrophobicContact CD1-CE1 3.73Å; L110-Y151 HydrophobicContact CD1-CD1 4.25Å; L110-Y151 HydrophobicContact CD1-CE1 4.45Å; L110-Y151 VanDerWaalsContact CD2-CB 3.42Å; L110-Y151 HydrophobicContact CD2-CD1 3.89Å; L110-Y151 HydrophobicContact CD2-CD2 4.4Å; L110-Y151 HydrophobicContact CD2-CG 3.66Å; F112-Y151 AromaticContact CE1-CD2 3.65Å; F112-Y151 HydrophobicContact CE1-CD2 3.65Å; F112-Y151 HydrophobicContact CE1-CE2 4.15Å; F112-Y151 HydrophobicContact CE1-CG 4.47Å; F112-Y151 AromaticContact CZ-CD2 3.77Å; F112-Y151 HydrophobicContact CZ-CD2 3.77Å; F112-Y151 HydrophobicContact CZ-CG 4.15Å; T131-Y151 WeakPolarHBondContact CB-OH 3.47Å; T131-Y151 HydrophobicContact CG2-CE1 3.67Å; T131-Y151 WeakPolarHBondContact CG2-OH 3.4Å; T131-Y151 VanDerWaalsContact OG1-CE1 3.27Å; T131-Y151 WeakPolarHBondContact OG1-CE1 3.36Å; T131-Y151 PolarHBondContact OG1-OH 3.27Å; G132-Y151 WeakPolarHBondContact CA-OH 3.47Å; G132-Y151 PolarHBondContact N-OH 3.2Å; G132-Y151 VanDerWaalsContact N-OH 3.15Å; V133-Y151 HydrophobicContact CG2-CE2 3.88Å; A147-Y151 VanDerWaalsContact O-CD2 3.3Å; A147-Y151 WeakPolarHBondContact O-CD2 3.11Å; A147-Y151 PolarHBondContact O-N 3.37Å; V148-Y151 PolarHBondContact O-N 2.83Å; M149-Y151 VanDerWaalsContact C-N 3.34Å; M149-Y151 PolarHBondContact O-N 3.35Å; Y151-Y153 VanDerWaalsContact C-N 3.3Å; Y151-Y153 PolarHBondContact O-N 3.23Å; Y151-Q154 PolarHBondContact O-N 3.17Å; Y151-L155 WeakPolarHBondContact O-CB 3.38Å; Y151-L155 WeakPolarHBondContact O-CG 3.27Å; Y151-L155 PolarHBondContact O-N 3.1Å
152C97.8Very high91.2Very high0 Ų053 Ų530%027%0.273CS..Hα-helixtrans-61.7-41.6179.4-67.70000110.9M26 F28 V148 M149 A156M26-C152 HydrophobicContact CB-CB 3.65Å; M26-C152 HydrophobicContact CG-CB 3.85Å; F28-C152 HydrophobicContact CD2-CB 3.75Å; F28-C152 HydrophobicContact CE2-CB 3.66Å; F28-C152 VanDerWaalsContact CE2-O 3.3Å; F28-C152 WeakPolarHBondContact CE2-O 3.49Å; F28-C152 HydrophobicContact CZ-CB 4.32Å; V148-C152 VanDerWaalsContact O-CB 3.3Å; V148-C152 WeakPolarHBondContact O-CB 3.35Å; V148-C152 PolarHBondContact O-N 3.34Å; V148-C152 PolarHBondContact O-SG 3.48Å; M149-C152 PolarHBondContact O-N 3.28Å; C152-A156 WeakPolarHBondContact O-CA 3.46Å; C152-A156 WeakPolarHBondContact O-CB 3.23Å; C152-A156 PolarHBondContact O-N 3Å
153Y97.4Very high89.1Confident154 Ų15455 Ų5560%0.60430%0.298SS*.Hα-helixtrans-60.2-48174.2171.1-104000111.8M26 M149 Y151 L155 A156M26-Y153 HydrophobicContact CE-CD2 3.83Å; M26-Y153 HydrophobicContact CE-CG 4.37Å; M26-Y153 HydrophobicContact SD-CD2 4.02Å; M149-Y153 VanDerWaalsContact O-CB 3.27Å; M149-Y153 WeakPolarHBondContact O-CB 3.28Å; M149-Y153 PolarHBondContact O-N 3.2Å; Y151-Y153 VanDerWaalsContact C-N 3.3Å; Y151-Y153 PolarHBondContact O-N 3.23Å; Y153-L155 VanDerWaalsContact C-N 3.32Å; Y153-L155 PolarHBondContact O-N 2.83Å; Y153-A156 VanDerWaalsContact O-CB 3.23Å; Y153-A156 WeakPolarHBondContact O-CB 3.44Å; Y153-A156 PolarHBondContact O-N 3.41Å
154Q96.7Very high87Confident54 Ų5460.8 Ų60.825%0.25232%0.32SS..Hα-helixtrans-65.8-37.2-176.5-175.657.674.500112.7P91 V95 V150 Y151P91-Q154 VanDerWaalsContact C-CG 3.44Å; P91-Q154 HydrophobicContact CB-CB 4.16Å; P91-Q154 HydrophobicContact CB-CG 3.78Å; P91-Q154 WeakPolarHBondContact O-CG 3.5Å; V95-Q154 HydrophobicContact CG2-CG 4.04Å; V95-Q154 WeakPolarHBondContact CG2-O 3.32Å; V150-Q154 WeakPolarHBondContact O-CB 3.45Å; V150-Q154 PolarHBondContact O-N 2.85Å; Y151-Q154 PolarHBondContact O-N 3.17Å
155L96.6Very high84.4Confident2 Ų265.8 Ų65.81%0.0136%0.356CS..Hα-helixtrans-91.1-3.5-178.4-61.6-177.9000113F28 L94 V95 L98 L110 Y151 Y153 T157 L158F28-L155 HydrophobicContact CZ-CB 3.86Å; L94-L155 HydrophobicContact CB-CD2 3.97Å; V95-L155 HydrophobicContact CG2-CD2 4.01Å; L98-L155 HydrophobicContact CD1-CD1 3.95Å; L98-L155 HydrophobicContact CD1-CD2 3.88Å; L110-L155 HydrophobicContact CD2-CD1 4.37Å; Y151-L155 WeakPolarHBondContact O-CB 3.38Å; Y151-L155 WeakPolarHBondContact O-CG 3.27Å; Y151-L155 PolarHBondContact O-N 3.1Å; Y153-L155 VanDerWaalsContact C-N 3.32Å; Y153-L155 PolarHBondContact O-N 2.83Å; L155-T157 PolarHBondContact O-N 2.96Å; L155-T157 VanDerWaalsContact O-N 3.14Å; L155-L158 HydrophobicContact CD2-CD1 3.97Å; L155-L158 WeakPolarHBondContact O-CB 3.45Å; L155-L158 PolarHBondContact O-N 2.7Å
156A94.9Very high81.8Confident7 Ų772.7 Ų72.76%0.05839%0.392CS..Hα-helixtrans-52.7-37.7-18000000111.8M26 C152 Y153 L158 I159 Q160M26-A156 HydrophobicContact SD-CB 4.5Å; C152-A156 WeakPolarHBondContact O-CA 3.46Å; C152-A156 WeakPolarHBondContact O-CB 3.23Å; C152-A156 PolarHBondContact O-N 3Å; Y153-A156 VanDerWaalsContact O-CB 3.23Å; Y153-A156 WeakPolarHBondContact O-CB 3.44Å; Y153-A156 PolarHBondContact O-N 3.41Å; A156-L158 PolarHBondContact O-N 2.9Å; A156-L158 VanDerWaalsContact O-N 3.15Å; A156-I159 PolarHBondContact O-N 3.09Å; A156-Q160 HydrophobicContact CB-CG 4.39Å; A156-Q160 WeakPolarHBondContact O-CB 3.31Å; A156-Q160 VanDerWaalsContact O-CG 3.28Å; A156-Q160 WeakPolarHBondContact O-CG 3.49Å; A156-Q160 PolarHBondContact O-N 3.37Å
157T90.8Very high79.6Confident81 Ų8173.7 Ų73.750%0.49741%0.406SS..Hα-helixtrans-62.1-21.4179.457.70000113.8L155 Q161L155-T157 PolarHBondContact O-N 2.96Å; L155-T157 VanDerWaalsContact O-N 3.14Å; T157-Q161 WeakPolarHBondContact O-CG 3.43Å
158L91Very high77.2Confident30 Ų3079.3 Ų79.316%0.15744%0.439CS..Hα-helixtrans-81.3-21.2177-58.8177.7000112.8I3 V95 L98 E99 L155 A156I3-L158 HydrophobicContact CD1-CD1 4.39Å; V95-L158 HydrophobicContact CG1-CD2 4.03Å; V95-L158 HydrophobicContact CG1-CG 4.4Å; L98-L158 HydrophobicContact CB-CD1 3.52Å; L98-L158 HydrophobicContact CD1-CD1 4.09Å; L98-L158 HydrophobicContact CG-CD1 4.47Å; E99-L158 HydrophobicContact CB-CD2 3.84Å; E99-L158 HydrophobicContact CG-CD2 4.43Å; L155-L158 HydrophobicContact CD2-CD1 3.97Å; L155-L158 WeakPolarHBondContact O-CB 3.45Å; L155-L158 PolarHBondContact O-N 2.7Å; A156-L158 PolarHBondContact O-N 2.9Å; A156-L158 VanDerWaalsContact O-N 3.15Å
159I85.7Confident75.1Confident65 Ų6582.1 Ų82.133%0.33346%0.462SS..Hα-helixtrans-107.4-33.4-176.6-54.3176.8000110.6I3 F28 A156I3-I159 HydrophobicContact CB-CD1 4.42Å; I3-I159 HydrophobicContact CD1-CD1 4.33Å; I3-I159 HydrophobicContact CD1-CG1 4.46Å; F28-I159 HydrophobicContact CD1-CD1 3.55Å; F28-I159 HydrophobicContact CD2-CD1 3.87Å; F28-I159 HydrophobicContact CE1-CD1 3.25Å; F28-I159 HydrophobicContact CE2-CD1 3.56Å; F28-I159 HydrophobicContact CG-CD1 3.85Å; F28-I159 HydrophobicContact CZ-CD1 3.24Å; F28-I159 HydrophobicContact CZ-CG1 4.38Å; A156-I159 PolarHBondContact O-N 3.09Å
160Q78.3Confident73.4Confident102 Ų10283.4 Ų83.448%0.47747%0.47SS..SBendtrans-91.68.5-174.2-61.9-175.920.100114M26 A156 P162M26-Q160 PolarHBondContact O-NE2 2.95Å; A156-Q160 HydrophobicContact CB-CG 4.39Å; A156-Q160 WeakPolarHBondContact O-CB 3.31Å; A156-Q160 VanDerWaalsContact O-CG 3.28Å; A156-Q160 WeakPolarHBondContact O-CG 3.49Å; A156-Q160 PolarHBondContact O-N 3.37Å; Q160-P162 WeakPolarHBondContact O-CD 3.49Å
161Q62.7Low71.7Confident116 Ų11689.3 Ų89.354%0.54249%0.494SS..  trans-53.1110.8-174-68.4-163.7-16.800111.3T157T157-Q161 WeakPolarHBondContact O-CG 3.43Å
162P54.3Low70.7Confident111 Ų11195.7 Ų95.772%0.72152%0.524SS*.  trans-69.1138.9162.617.7-6.7000106.9Q160 K164Q160-P162 WeakPolarHBondContact O-CD 3.49Å; P162-K164 PolarHBondContact O-N 2.77Å
163A49.4Very low70.1Confident103 Ų10398.2 Ų98.285%0.85154%0.536SS*.  trans-50.5114.2177.200000110.2S165A163-S165 PolarHBondContact O-N 3.17Å
164K50.2Low69.6Low185 Ų18593.3 Ų93.380%0.80452%0.519SS*.  trans-61.1124.3178.4-79.7179.8178.11710109.5P162P162-K164 PolarHBondContact O-N 2.77Å
165S44.2Very low69.2Low114 Ų11495 Ų9580%0.79753%0.527SS*.  trans-94114.1168.757.80000109.9A163A163-S165 PolarHBondContact O-N 3.17Å
166D42Very low68.9Low150 Ų15096.6 Ų96.680%0.80254%0.541SS*.  trans-70.8133.7171.7-74.4-38.7000111.2
167T50.6Low68.8Low132 Ų13296.3 Ų96.381%0.8154%0.538SS*.  trans-179.9142.6141.731.90000113.5
168T46.7Very low68.9Low132 Ų13296 Ų9681%0.8153%0.528SS*.  trans-77.3123.1-170.846.90000114.4Q209T168-Q209 PolarHBondContact O-NE2 3.37Å; T168-Q209 PolarHBondContact O-OE1 2.82Å
169A54.7Low68.9Low58 Ų58100.1 Ų100.148%0.47955%0.546SS..  trans-108126.8176.200000114.5Q171 Q209A169-Q171 PolarHBondContact O-N 3.41Å; A169-Q209 VanDerWaalsContact CA-NE2 3.32Å; A169-Q209 VanDerWaalsContact CA-OE1 3.29Å; A169-Q209 HydrophobicContact CB-CB 3.63Å; A169-Q209 HydrophobicContact CB-CG 3.45Å; A169-Q209 VanDerWaalsContact CB-CG 3.45Å
170D62.2Low69.4Low99 Ų9999.5 Ų99.553%0.52954%0.54SS..  trans-62.2122.4176.9-179.116000111.6H172 Q173D170-H172 VanDerWaalsContact C-N 3.28Å; D170-H172 PolarHBondContact O-N 3.49Å; D170-Q173 HydrophobicContact CB-CG 3.72Å; D170-Q173 VanDerWaalsContact O-CG 3.29Å; D170-Q173 WeakPolarHBondContact O-CG 3.43Å; D170-Q173 PolarHBondContact O-N 3.13Å; D170-Q173 PolarHBondContact OD2-NE2 3.14Å
171Q61.4Low70.1Confident177 Ų17794.9 Ų94.983%0.82752%0.52SS*.THydrogen-bonded Turntrans-69.4-16.8-160.2-73.4178.3-17.300114.9A169A169-Q171 PolarHBondContact O-N 3.41Å
172H77.6Confident71.6Confident137 Ų13791.4 Ų91.463%0.63450%0.504SS*.THydrogen-bonded Turntrans-1050.4-178.1-64.6147.4000114.6D170 L174 Q175 A176D170-H172 VanDerWaalsContact C-N 3.28Å; D170-H172 PolarHBondContact O-N 3.49Å; H172-L174 VanDerWaalsContact C-N 3.32Å; H172-L174 PolarHBondContact O-N 2.91Å; H172-Q175 PolarHBondContact O-N 3.44Å; H172-A176 VanDerWaalsContact O-CB 3.28Å; H172-A176 WeakPolarHBondContact O-CB 3.31Å; H172-A176 PolarHBondContact O-N 3.07Å
173Q83.8Confident73.4Confident54 Ų5488.6 Ų88.625%0.25249%0.49SS..Hα-helixtrans-58.9-45-177.6-65.9-70.8-41.800110.9D170 Q175 L177 T212 H216D170-Q173 HydrophobicContact CB-CG 3.72Å; D170-Q173 VanDerWaalsContact O-CG 3.29Å; D170-Q173 WeakPolarHBondContact O-CG 3.43Å; D170-Q173 PolarHBondContact O-N 3.13Å; D170-Q173 PolarHBondContact OD2-NE2 3.14Å; Q173-Q175 PolarHBondContact O-N 3.23Å; Q173-L177 WeakPolarHBondContact O-CB 3.47Å; Q173-L177 PolarHBondContact O-N 2.82Å; Q173-T212 HydrophobicContact CB-CG2 3.5Å; Q173-T212 VanDerWaalsContact CB-CG2 3.5Å; Q173-T212 WeakPolarHBondContact O-CG2 3.42Å; Q173-H216 PolarHBondContact O-NE2 2.79Å; Q173-H216 PolarHBondContact OE1-CD2 3.15Å; Q173-H216 PolarHBondContact OE1-NE2 2.67Å
174L87.2Confident75.6Confident50 Ų5084.5 Ų84.526%0.26245%0.454SS..Hα-helixtrans-64.7-42.1-179.1175.756.8000112.7H172 L177 R178 L204H172-L174 VanDerWaalsContact C-N 3.32Å; H172-L174 PolarHBondContact O-N 2.91Å; L174-L177 PolarHBondContact O-N 2.86Å; L174-R178 HydrophobicContact CD1-CG 4.46Å; L174-R178 WeakPolarHBondContact O-CG 3.46Å; L174-R178 PolarHBondContact O-N 3.17Å; L174-L204 VanDerWaalsContact CD1-C 3.48Å; L174-L204 HydrophobicContact CD1-CB 3.99Å; L174-L204 WeakPolarHBondContact CD1-O 3.27Å
175Q88.2Confident77.7Confident89 Ų8976.4 Ų76.442%0.41642%0.419SS..Hα-helixtrans-71.1-44.2-178.9-176.857.926.600111.5H172 Q173 L177 R178 E179H172-Q175 PolarHBondContact O-N 3.44Å; Q173-Q175 PolarHBondContact O-N 3.23Å; Q175-L177 PolarHBondContact O-N 3.39Å; Q175-R178 WeakPolarHBondContact O-CB 3.44Å; Q175-R178 PolarHBondContact O-N 3.44Å; Q175-R178 VanDerWaalsContact O-N 3.12Å; Q175-E179 PolarHBondContact NE2-OE1 2.97Å; Q175-E179 PolarHBondContact O-N 2.91Å
176A91Very high80.1Confident36 Ų3675.7 Ų75.730%0.29841%0.41SS..Hα-helixtrans-60.6-37.9174.800000111H172 R180H172-A176 VanDerWaalsContact O-CB 3.28Å; H172-A176 WeakPolarHBondContact O-CB 3.31Å; H172-A176 PolarHBondContact O-N 3.07Å; A176-R180 WeakPolarHBondContact O-CB 3.41Å; A176-R180 VanDerWaalsContact O-CG 3.22Å; A176-R180 WeakPolarHBondContact O-CG 3.45Å; A176-R180 PolarHBondContact O-N 3.11Å
177L92.5Very high82.5Confident1 Ų172.9 Ų72.91%0.00540%0.398CS..Hα-helixtrans-64.7-43.5174.2179.759.6000112Q173 L174 Q175 R180 A181 L204 L207 T212 L215 H216 L219Q173-L177 WeakPolarHBondContact O-CB 3.47Å; Q173-L177 PolarHBondContact O-N 2.82Å; L174-L177 PolarHBondContact O-N 2.86Å; Q175-L177 PolarHBondContact O-N 3.39Å; L177-R180 PolarHBondContact O-N 3.43Å; L177-A181 WeakPolarHBondContact O-CB 3.3Å; L177-A181 PolarHBondContact O-N 3.15Å; L177-L204 HydrophobicContact CD2-CD2 3.6Å; L177-L204 HydrophobicContact CG-CD1 4.44Å; L177-L204 HydrophobicContact CG-CD2 3.84Å; L177-L207 HydrophobicContact CD2-CD1 3.59Å; L177-T212 HydrophobicContact CB-CG2 4.15Å; L177-T212 HydrophobicContact CD2-CG2 3.77Å; L177-L215 HydrophobicContact CD1-CB 3.55Å; L177-L215 HydrophobicContact CD2-CB 3.72Å; L177-L215 HydrophobicContact CD2-CD1 3.86Å; L177-L215 HydrophobicContact CD2-CG 4.46Å; L177-L215 HydrophobicContact CG-CB 4.3Å; L177-H216 PolarHBondContact N-CE1 3.44Å; L177-H216 VanDerWaalsContact N-CE1 3.32Å; L177-H216 PolarHBondContact N-NE2 3.34Å; L177-L219 HydrophobicContact CD1-CD1 3.5Å; L177-L219 VanDerWaalsContact CD1-CD1 3.5Å; L177-L219 HydrophobicContact CD1-CG 4.25Å
178R92.6Very high84.6Confident76 Ų7670.8 Ų70.829%0.28738%0.382SS..Hα-helixtrans-59.3-49175.9-78.6175.1174.5149.8-1111.8L174 Q175 R180 A181 M182 L204L174-R178 HydrophobicContact CD1-CG 4.46Å; L174-R178 WeakPolarHBondContact O-CG 3.46Å; L174-R178 PolarHBondContact O-N 3.17Å; Q175-R178 WeakPolarHBondContact O-CB 3.44Å; Q175-R178 PolarHBondContact O-N 3.44Å; Q175-R178 VanDerWaalsContact O-N 3.12Å; R178-R180 PolarHBondContact O-N 3.22Å; R178-A181 PolarHBondContact O-N 2.77Å; R178-M182 WeakPolarHBondContact O-CB 3.49Å; R178-M182 VanDerWaalsContact O-CG 3.25Å; R178-M182 WeakPolarHBondContact O-CG 3.45Å; R178-M182 PolarHBondContact O-N 2.94Å; R178-L204 HydrophobicContact CB-CD1 4.24Å; R178-L204 HydrophobicContact CG-CB 4.04Å; R178-L204 HydrophobicContact CG-CD1 3.62Å; R178-L204 HydrophobicContact CG-CG 4.5Å
179E92.6Very high86.8Confident115 Ų11568.6 Ų68.654%0.53738%0.377SS..Hα-helixtrans-61.8-45180-74.5168.5-163.500111.8Q175 M182 A183Q175-E179 PolarHBondContact NE2-OE1 2.97Å; Q175-E179 PolarHBondContact O-N 2.91Å; E179-M182 PolarHBondContact O-N 3.03Å; E179-A183 VanDerWaalsContact O-CB 3.29Å; E179-A183 WeakPolarHBondContact O-CB 3.3Å; E179-A183 PolarHBondContact O-N 3.46Å
180R94.5Very high88.6Confident52 Ų5268.4 Ų68.420%0.19637%0.37CS..Hα-helixtrans-64.6-41.2176.7-71.4179.667.1-157.312.4112.5A176 L177 R178 A183 L184 H216 L219 E223A176-R180 WeakPolarHBondContact O-CB 3.41Å; A176-R180 VanDerWaalsContact O-CG 3.22Å; A176-R180 WeakPolarHBondContact O-CG 3.45Å; A176-R180 PolarHBondContact O-N 3.11Å; L177-R180 PolarHBondContact O-N 3.43Å; R178-R180 PolarHBondContact O-N 3.22Å; R180-A183 PolarHBondContact O-N 3.2Å; R180-L184 WeakPolarHBondContact O-CB 3.48Å; R180-L184 PolarHBondContact O-N 2.95Å; R180-H216 VanDerWaalsContact NH1-CA 3.25Å; R180-H216 PolarHBondContact NH1-ND1 2.99Å; R180-H216 PolarHBondContact NH1-O 3.3Å; R180-H216 PolarHBondContact NH2-O 2.92Å; R180-L219 HydrophobicContact CB-CD1 3.59Å; R180-E223 IonicContact CZ-OE1 2.69Å; R180-E223 IonicContact CZ-OE2 2.83Å; R180-E223 IonicContact NE-OE1 2.67Å; R180-E223 PolarHBondContact NE-OE1 3.16Å; R180-E223 VanDerWaalsContact NE-OE1 3.08Å; R180-E223 IonicContact NE-OE2 2.89Å; R180-E223 VanDerWaalsContact NH2-CD 3.32Å; R180-E223 IonicContact NH2-OE1 3.05Å; R180-E223 PolarHBondContact NH2-OE1 2.98Å; R180-E223 IonicContact NH2-OE2 3.73Å; R180-E223 PolarHBondContact NH2-OE2 3.27Å
181A94.1Very high90Very high6 Ų665.5 Ų65.55%0.0536%0.359CS..Hα-helixtrans-63.3-47176.700000111.2L177 R178 L184 L185 L200 L204 L219L177-A181 WeakPolarHBondContact O-CB 3.3Å; L177-A181 PolarHBondContact O-N 3.15Å; R178-A181 PolarHBondContact O-N 2.77Å; A181-L184 PolarHBondContact O-N 2.83Å; A181-L185 WeakPolarHBondContact O-CG 3.37Å; A181-L185 PolarHBondContact O-N 3.36Å; A181-L200 HydrophobicContact CB-CD2 3.9Å; A181-L204 HydrophobicContact CB-CD1 3.91Å; A181-L219 HydrophobicContact CB-CD1 4.17Å
182M93.3Very high91.6Very high42 Ų4264.3 Ų64.321%0.20736%0.359CS..Hα-helixtrans-63.4-43.3177.6-66.4-57.510000111.5R178 E179 L184 L185 T186 V197 L200 Q201R178-M182 WeakPolarHBondContact O-CB 3.49Å; R178-M182 VanDerWaalsContact O-CG 3.25Å; R178-M182 WeakPolarHBondContact O-CG 3.45Å; R178-M182 PolarHBondContact O-N 2.94Å; E179-M182 PolarHBondContact O-N 3.03Å; M182-L184 VanDerWaalsContact C-N 3.32Å; M182-L184 PolarHBondContact O-N 2.89Å; M182-L185 HydrophobicContact CE-CD1 3.62Å; M182-L185 PolarHBondContact O-N 3.33Å; M182-L185 HydrophobicContact SD-CD1 4.25Å; M182-T186 PolarHBondContact O-N 2.83Å; M182-T186 VanDerWaalsContact O-N 3.11Å; M182-T186 PolarHBondContact O-OG1 2.72Å; M182-V197 HydrophobicContact CE-CG1 4.42Å; M182-V197 HydrophobicContact SD-CG1 3.75Å; M182-L200 HydrophobicContact CE-CB 4.3Å; M182-L200 HydrophobicContact CE-CD2 3.8Å; M182-L200 HydrophobicContact CE-CG 4.12Å; M182-Q201 HydrophobicContact CE-CG 3.84Å; M182-Q201 HydrophobicContact SD-CG 3.86Å; M182-Q201 PolarHBondContact SD-NE2 2.73Å; M182-Q201 VanDerWaalsContact SD-NE2 3.36Å
183A93.5Very high92.3Very high53 Ų5361.7 Ų61.744%0.43835%0.349SS..Hα-helixtrans-59.1-43.9174.700000111.5E179 R180 L185 T186 T187E179-A183 VanDerWaalsContact O-CB 3.29Å; E179-A183 WeakPolarHBondContact O-CB 3.3Å; E179-A183 PolarHBondContact O-N 3.46Å; R180-A183 PolarHBondContact O-N 3.2Å; A183-L185 PolarHBondContact O-N 2.94Å; A183-T186 WeakPolarHBondContact O-CB 3.39Å; A183-T186 PolarHBondContact O-N 3.13Å; A183-T187 PolarHBondContact O-N 3.01Å; A183-T187 PolarHBondContact O-OG1 3.36Å; A183-T187 VanDerWaalsContact O-OG1 3.05Å
184L94.4Very high92.8Very high16 Ų1664.6 Ų64.68%0.08437%0.366CS..Hα-helixtrans-63.5-39.6177.1-17865.4000112.3R180 A181 M182 T186 T187 L188 L219 I222 I226R180-L184 WeakPolarHBondContact O-CB 3.48Å; R180-L184 PolarHBondContact O-N 2.95Å; A181-L184 PolarHBondContact O-N 2.83Å; M182-L184 VanDerWaalsContact C-N 3.32Å; M182-L184 PolarHBondContact O-N 2.89Å; L184-T186 VanDerWaalsContact C-N 3.28Å; L184-T186 PolarHBondContact O-N 3.35Å; L184-T187 PolarHBondContact O-N 2.97Å; L184-L188 HydrophobicContact CD1-CD1 4.02Å; L184-L188 HydrophobicContact CD1-CG 4.04Å; L184-L188 HydrophobicContact CD2-CD1 4.31Å; L184-L188 HydrophobicContact CG-CD1 3.83Å; L184-L188 HydrophobicContact CG-CG 4.26Å; L184-L188 WeakPolarHBondContact O-CB 3.42Å; L184-L188 WeakPolarHBondContact O-CG 3.38Å; L184-L188 PolarHBondContact O-N 2.86Å; L184-L219 HydrophobicContact CD2-CD2 3.44Å; L184-L219 VanDerWaalsContact CD2-CD2 3.44Å; L184-I222 HydrophobicContact CD1-CG2 3.67Å; L184-I222 HydrophobicContact CD2-CB 4.35Å; L184-I222 HydrophobicContact CD2-CD1 4.11Å; L184-I222 HydrophobicContact CD2-CG2 3.85Å; L184-I222 HydrophobicContact CG-CG2 4.41Å; L184-I226 HydrophobicContact CD1-CD1 3.67Å
185L94.6Very high93.1Very high16 Ų1670.7 Ų70.78%0.08439%0.39CS..Hα-helixtrans-60.9-38.9174.8-67.8179.4000111.7A181 M182 A183 A189 V190 A191 L196 V197 L200A181-L185 WeakPolarHBondContact O-CG 3.37Å; A181-L185 PolarHBondContact O-N 3.36Å; M182-L185 HydrophobicContact CE-CD1 3.62Å; M182-L185 PolarHBondContact O-N 3.33Å; M182-L185 HydrophobicContact SD-CD1 4.25Å; A183-L185 PolarHBondContact O-N 2.94Å; L185-A189 PolarHBondContact O-N 3.38Å; L185-V190 HydrophobicContact CB-CG2 4.15Å; L185-V190 HydrophobicContact CD2-CG2 3.57Å; L185-V190 HydrophobicContact CG-CG2 4.47Å; L185-V190 WeakPolarHBondContact O-CG2 3.45Å; L185-V190 PolarHBondContact O-N 3.46Å; L185-A191 HydrophobicContact CB-CB 4.45Å; L185-A191 PolarHBondContact O-N 2.92Å; L185-L196 HydrophobicContact CD2-CD2 3.96Å; L185-L196 HydrophobicContact CD2-CG 4.43Å; L185-V197 HydrophobicContact CD1-CG2 3.98Å; L185-L200 HydrophobicContact CD1-CD2 3.78Å; L185-L200 HydrophobicContact CD2-CD2 4.32Å; L185-L200 HydrophobicContact CG-CD2 4.17Å
186T93.8Very high93.3Very high98 Ų9869.1 Ų69.160%0.60138%0.384SS*.Hα-helixtrans-65.3-45.8172.6-54.10000111.3M182 A183 L184 L188 A189M182-T186 PolarHBondContact O-N 2.83Å; M182-T186 VanDerWaalsContact O-N 3.11Å; M182-T186 PolarHBondContact O-OG1 2.72Å; A183-T186 WeakPolarHBondContact O-CB 3.39Å; A183-T186 PolarHBondContact O-N 3.13Å; L184-T186 VanDerWaalsContact C-N 3.28Å; L184-T186 PolarHBondContact O-N 3.35Å; T186-L188 VanDerWaalsContact C-N 3.3Å; T186-L188 PolarHBondContact O-N 2.86Å; T186-A189 PolarHBondContact O-N 3.4Å; T186-A189 VanDerWaalsContact O-N 3.1Å
187T93.8Very high93.4Very high91 Ų9168.5 Ų68.556%0.55838%0.377SS*.Hα-helixtrans-60.5-38.1178.1-56.80000112.6A183 L184 A189 I226A183-T187 PolarHBondContact O-N 3.01Å; A183-T187 PolarHBondContact O-OG1 3.36Å; A183-T187 VanDerWaalsContact O-OG1 3.05Å; L184-T187 PolarHBondContact O-N 2.97Å; T187-A189 PolarHBondContact O-N 3.48Å; T187-I226 HydrophobicContact CG2-CG2 3.98Å
188L93.5Very high93.3Very high88 Ų8872.2 Ų72.246%0.46140%0.396SS..THydrogen-bonded Turntrans-81.60.9178.9-69.8175.9000113.6L184 T186 V190 I226L184-L188 HydrophobicContact CD1-CD1 4.02Å; L184-L188 HydrophobicContact CD1-CG 4.04Å; L184-L188 HydrophobicContact CD2-CD1 4.31Å; L184-L188 HydrophobicContact CG-CD1 3.83Å; L184-L188 HydrophobicContact CG-CG 4.26Å; L184-L188 WeakPolarHBondContact O-CB 3.42Å; L184-L188 WeakPolarHBondContact O-CG 3.38Å; L184-L188 PolarHBondContact O-N 2.86Å; T186-L188 VanDerWaalsContact C-N 3.3Å; T186-L188 PolarHBondContact O-N 2.86Å; L188-V190 HydrophobicContact CB-CG2 3.91Å; L188-V190 PolarHBondContact O-N 3.24Å; L188-I226 HydrophobicContact CD2-CD1 3.58Å; L188-I226 HydrophobicContact CG-CD1 4.23Å
189A93.6Very high93.3Very high86 Ų8675.2 Ų75.271%0.71141%0.408SS*.THydrogen-bonded Turntrans55.335.8-176.700000113.9L185 T186 T187L185-A189 PolarHBondContact O-N 3.38Å; T186-A189 PolarHBondContact O-N 3.4Å; T186-A189 VanDerWaalsContact O-N 3.1Å; T187-A189 PolarHBondContact O-N 3.48Å
190V92.9Very high93.2Very high54 Ų5471.3 Ų71.333%0.32739%0.39SS..  trans-115.34.4177.7-65.50000112.9L185 L188 D192 D193 L196L185-V190 HydrophobicContact CB-CG2 4.15Å; L185-V190 HydrophobicContact CD2-CG2 3.57Å; L185-V190 HydrophobicContact CG-CG2 4.47Å; L185-V190 WeakPolarHBondContact O-CG2 3.45Å; L185-V190 PolarHBondContact O-N 3.46Å; L188-V190 HydrophobicContact CB-CG2 3.91Å; L188-V190 PolarHBondContact O-N 3.24Å; V190-D192 PolarHBondContact O-N 2.71Å; V190-D192 VanDerWaalsContact O-N 3.15Å; V190-D193 WeakPolarHBondContact O-CB 2.97Å; V190-D193 PolarHBondContact O-N 2.89Å; V190-L196 HydrophobicContact CB-CD2 4.28Å; V190-L196 HydrophobicContact CG2-CD2 4.22Å
191A91.9Very high92.8Very high38 Ų3873 Ų7331%0.31440%0.4SS..THydrogen-bonded Turntrans-62.2-19.4179.700000113.9L185 D193 V197L185-A191 HydrophobicContact CB-CB 4.45Å; L185-A191 PolarHBondContact O-N 2.92Å; A191-D193 VanDerWaalsContact C-N 3.28Å; A191-D193 PolarHBondContact O-N 2.84Å; A191-V197 WeakPolarHBondContact O-CG2 3.34Å
192D93.7Very high92.5Very high153 Ų15379.3 Ų79.382%0.81843%0.429SS*.THydrogen-bonded Turntrans-77.5-12.6176-63.6-30.2000113.1V190 I194V190-D192 PolarHBondContact O-N 2.71Å; V190-D192 VanDerWaalsContact O-N 3.15Å; D192-I194 PolarHBondContact O-N 3.43Å
193D93.9Very high92.2Very high81 Ų8183.8 Ų83.843%0.43344%0.444SS..  trans-76.180.2168.4-171.7-14.5000109.5V190 A191 K195 L196 V197V190-D193 WeakPolarHBondContact O-CB 2.97Å; V190-D193 PolarHBondContact O-N 2.89Å; A191-D193 VanDerWaalsContact C-N 3.28Å; A191-D193 PolarHBondContact O-N 2.84Å; D193-K195 PolarHBondContact O-N 2.98Å; D193-K195 VanDerWaalsContact O-N 3.13Å; D193-K195 PolarHBondContact OD1-N 3.33Å; D193-L196 HydrophobicContact CB-CB 3.8Å; D193-L196 HydrophobicContact CB-CD2 4.39Å; D193-L196 VanDerWaalsContact CG-CB 3.42Å; D193-L196 WeakPolarHBondContact O-CA 3.32Å; D193-L196 VanDerWaalsContact O-CB 3.31Å; D193-L196 WeakPolarHBondContact O-CB 3.26Å; D193-L196 PolarHBondContact O-N 3.24Å; D193-L196 PolarHBondContact OD1-N 3.35Å; D193-L196 VanDerWaalsContact OD1-N 3.11Å; D193-V197 WeakPolarHBondContact O-CG2 3.48Å; D193-V197 PolarHBondContact O-N 2.87Å
194I93.2Very high92.1Very high116 Ų11681.6 Ų81.660%0.59542%0.424SS*.Hα-helixtrans-52.8-38.2-177.5-62168.3000111.4D192 L196 V197 D198D192-I194 PolarHBondContact O-N 3.43Å; I194-L196 VanDerWaalsContact C-N 3.34Å; I194-L196 PolarHBondContact O-N 3.02Å; I194-V197 PolarHBondContact O-N 2.91Å; I194-D198 WeakPolarHBondContact O-CB 3.46Å; I194-D198 PolarHBondContact O-N 3Å
195K93.9Very high91.4Very high178 Ų17882.4 Ų82.477%0.77444%0.437SS*.Hα-helixtrans-64.4-41.7178.5-69.9-179.3179.2176.70111.2D193 W199D193-K195 PolarHBondContact O-N 2.98Å; D193-K195 VanDerWaalsContact O-N 3.13Å; D193-K195 PolarHBondContact OD1-N 3.33Å; K195-W199 WeakPolarHBondContact O-CB 3.32Å; K195-W199 PolarHBondContact O-N 2.83Å
196L92Very high90.9Very high56 Ų5687.8 Ų87.829%0.29347%0.465SS..Hα-helixtrans-64-44.7175.1177.967.2000111.4L185 V190 D193 I194 W199 L200L185-L196 HydrophobicContact CD2-CD2 3.96Å; L185-L196 HydrophobicContact CD2-CG 4.43Å; V190-L196 HydrophobicContact CB-CD2 4.28Å; V190-L196 HydrophobicContact CG2-CD2 4.22Å; D193-L196 HydrophobicContact CB-CB 3.8Å; D193-L196 HydrophobicContact CB-CD2 4.39Å; D193-L196 VanDerWaalsContact CG-CB 3.42Å; D193-L196 WeakPolarHBondContact O-CA 3.32Å; D193-L196 VanDerWaalsContact O-CB 3.31Å; D193-L196 WeakPolarHBondContact O-CB 3.26Å; D193-L196 PolarHBondContact O-N 3.24Å; D193-L196 PolarHBondContact OD1-N 3.35Å; D193-L196 VanDerWaalsContact OD1-N 3.11Å; I194-L196 VanDerWaalsContact C-N 3.34Å; I194-L196 PolarHBondContact O-N 3.02Å; L196-W199 HydrophobicContact CD1-CE3 4.07Å; L196-W199 HydrophobicContact CD1-CZ3 4.29Å; L196-L200 VanDerWaalsContact O-CB 3.32Å; L196-L200 WeakPolarHBondContact O-CB 3.46Å; L196-L200 PolarHBondContact O-N 3.32Å
197V92.2Very high90.5Very high22 Ų2285.5 Ų85.513%0.13345%0.449CS..Hα-helixtrans-61.3-53.1178.9-178.30000111M182 L185 A191 D193 I194 W199 L200 Q201M182-V197 HydrophobicContact CE-CG1 4.42Å; M182-V197 HydrophobicContact SD-CG1 3.75Å; L185-V197 HydrophobicContact CD1-CG2 3.98Å; A191-V197 WeakPolarHBondContact O-CG2 3.34Å; D193-V197 WeakPolarHBondContact O-CG2 3.48Å; D193-V197 PolarHBondContact O-N 2.87Å; I194-V197 PolarHBondContact O-N 2.91Å; V197-W199 VanDerWaalsContact C-N 3.32Å; V197-W199 PolarHBondContact O-N 3.15Å; V197-L200 PolarHBondContact O-N 3.43Å; V197-L200 VanDerWaalsContact O-N 3.15Å; V197-Q201 HydrophobicContact CG1-CG 4.48Å; V197-Q201 WeakPolarHBondContact O-CG 3.4Å; V197-Q201 PolarHBondContact O-N 2.88Å
198D90.8Very high90Very high79 Ų7988 Ų8842%0.42245%0.454SS..Hα-helixtrans-61.3-43.9-178.7-75.1-13.9000111.2I194 L200 Q201 Q202I194-D198 WeakPolarHBondContact O-CB 3.46Å; I194-D198 PolarHBondContact O-N 3Å; D198-L200 PolarHBondContact O-N 2.83Å; D198-Q201 PolarHBondContact O-N 3.33Å; D198-Q202 WeakPolarHBondContact O-CB 3.29Å; D198-Q202 WeakPolarHBondContact O-CG 3.41Å; D198-Q202 PolarHBondContact O-N 3.04Å
199W92.5Very high89.5Confident139 Ų13987.8 Ų87.853%0.52745%0.451SS..Hα-helixtrans-57.8-49.7174.4171.685.6000110.7K195 L196 V197 Q201 Q202 R203K195-W199 WeakPolarHBondContact O-CB 3.32Å; K195-W199 PolarHBondContact O-N 2.83Å; L196-W199 HydrophobicContact CD1-CE3 4.07Å; L196-W199 HydrophobicContact CD1-CZ3 4.29Å; V197-W199 VanDerWaalsContact C-N 3.32Å; V197-W199 PolarHBondContact O-N 3.15Å; W199-Q201 PolarHBondContact O-N 3.3Å; W199-Q202 PolarHBondContact O-N 2.91Å; W199-R203 HydrophobicContact CD2-CG 4.13Å; W199-R203 HydrophobicContact CG-CG 4.22Å; W199-R203 HydrophobicContact CZ2-CG 4.23Å; W199-R203 VanDerWaalsContact O-CB 3.31Å; W199-R203 WeakPolarHBondContact O-CB 3.35Å; W199-R203 WeakPolarHBondContact O-CG 3.39Å; W199-R203 PolarHBondContact O-N 3.42Å
200L91.4Very high89Confident33 Ų3393 Ų9317%0.17345%0.452CS..Hα-helixtrans-63.3-45.1-177.3-172.758.5000111.2A181 M182 L185 L196 V197 D198 Q202 R203 L204A181-L200 HydrophobicContact CB-CD2 3.9Å; M182-L200 HydrophobicContact CE-CB 4.3Å; M182-L200 HydrophobicContact CE-CD2 3.8Å; M182-L200 HydrophobicContact CE-CG 4.12Å; L185-L200 HydrophobicContact CD1-CD2 3.78Å; L185-L200 HydrophobicContact CD2-CD2 4.32Å; L185-L200 HydrophobicContact CG-CD2 4.17Å; L196-L200 VanDerWaalsContact O-CB 3.32Å; L196-L200 WeakPolarHBondContact O-CB 3.46Å; L196-L200 PolarHBondContact O-N 3.32Å; V197-L200 PolarHBondContact O-N 3.43Å; V197-L200 VanDerWaalsContact O-N 3.15Å; D198-L200 PolarHBondContact O-N 2.83Å; L200-Q202 PolarHBondContact O-N 3.24Å; L200-R203 PolarHBondContact O-N 3.08Å; L200-L204 HydrophobicContact CD1-CD1 4.44Å; L200-L204 HydrophobicContact CD1-CD2 4.35Å; L200-L204 HydrophobicContact CD1-CG 4.16Å; L200-L204 HydrophobicContact CG-CD1 4.19Å; L200-L204 HydrophobicContact CG-CG 4.33Å; L200-L204 WeakPolarHBondContact O-CB 3.4Å; L200-L204 VanDerWaalsContact O-CG 3.23Å; L200-L204 WeakPolarHBondContact O-CG 3.37Å; L200-L204 PolarHBondContact O-N 3.11Å
201Q86.4Confident88.8Confident87 Ų8793.8 Ų93.841%0.40746%0.455SS..Hα-helixtrans-59.9-45.7178.7-72.7-172.72.300112.9M182 V197 D198 W199M182-Q201 HydrophobicContact CE-CG 3.84Å; M182-Q201 HydrophobicContact SD-CG 3.86Å; M182-Q201 PolarHBondContact SD-NE2 2.73Å; M182-Q201 VanDerWaalsContact SD-NE2 3.36Å; V197-Q201 HydrophobicContact CG1-CG 4.48Å; V197-Q201 WeakPolarHBondContact O-CG 3.4Å; V197-Q201 PolarHBondContact O-N 2.88Å; D198-Q201 PolarHBondContact O-N 3.33Å; W199-Q201 PolarHBondContact O-N 3.3Å
202Q87.3Confident88.6Confident139 Ų13992.2 Ų92.265%0.6544%0.441SS*.Hα-helixtrans-66.3-38.9177.6-70.1177.917.200111.7D198 W199 L200 G205D198-Q202 WeakPolarHBondContact O-CB 3.29Å; D198-Q202 WeakPolarHBondContact O-CG 3.41Å; D198-Q202 PolarHBondContact O-N 3.04Å; W199-Q202 PolarHBondContact O-N 2.91Å; L200-Q202 PolarHBondContact O-N 3.24Å; Q202-G205 PolarHBondContact O-N 3.14Å
203R88Confident88.4Confident137 Ų13787.4 Ų87.452%0.51742%0.422SS..Hα-helixtrans-72.8-37.5-177.7-69.2-63.3173-165.9-1.9113.2W199 L200 G205 L206W199-R203 HydrophobicContact CD2-CG 4.13Å; W199-R203 HydrophobicContact CG-CG 4.22Å; W199-R203 HydrophobicContact CZ2-CG 4.23Å; W199-R203 VanDerWaalsContact O-CB 3.31Å; W199-R203 WeakPolarHBondContact O-CB 3.35Å; W199-R203 WeakPolarHBondContact O-CG 3.39Å; W199-R203 PolarHBondContact O-N 3.42Å; L200-R203 PolarHBondContact O-N 3.08Å; R203-G205 PolarHBondContact O-N 2.91Å; R203-L206 PolarHBondContact O-N 2.89Å; R203-L206 VanDerWaalsContact O-N 3.15Å
204L90.1Very high88.3Confident6 Ų688.3 Ų88.33%0.03143%0.425CS..Hα-helixtrans-57.7-37.1174.3-70.6178.8000111L174 L177 R178 A181 L200 L206 L207 L215L174-L204 VanDerWaalsContact CD1-C 3.48Å; L174-L204 HydrophobicContact CD1-CB 3.99Å; L174-L204 WeakPolarHBondContact CD1-O 3.27Å; L177-L204 HydrophobicContact CD2-CD2 3.6Å; L177-L204 HydrophobicContact CG-CD1 4.44Å; L177-L204 HydrophobicContact CG-CD2 3.84Å; R178-L204 HydrophobicContact CB-CD1 4.24Å; R178-L204 HydrophobicContact CG-CB 4.04Å; R178-L204 HydrophobicContact CG-CD1 3.62Å; R178-L204 HydrophobicContact CG-CG 4.5Å; A181-L204 HydrophobicContact CB-CD1 3.91Å; L200-L204 HydrophobicContact CD1-CD1 4.44Å; L200-L204 HydrophobicContact CD1-CD2 4.35Å; L200-L204 HydrophobicContact CD1-CG 4.16Å; L200-L204 HydrophobicContact CG-CD1 4.19Å; L200-L204 HydrophobicContact CG-CG 4.33Å; L200-L204 WeakPolarHBondContact O-CB 3.4Å; L200-L204 VanDerWaalsContact O-CG 3.23Å; L200-L204 WeakPolarHBondContact O-CG 3.37Å; L200-L204 PolarHBondContact O-N 3.11Å; L204-L206 PolarHBondContact O-N 3.33Å; L204-L206 VanDerWaalsContact O-N 3.12Å; L204-L207 HydrophobicContact CB-CD1 4.33Å; L204-L207 HydrophobicContact CD2-CD1 3.45Å; L204-L207 VanDerWaalsContact CD2-CD1 3.45Å; L204-L207 HydrophobicContact CG-CD1 4.48Å; L204-L207 WeakPolarHBondContact O-CB 3.48Å; L204-L207 VanDerWaalsContact O-CG 3.24Å; L204-L207 WeakPolarHBondContact O-CG 3.49Å; L204-L207 PolarHBondContact O-N 3.27Å; L204-L207 VanDerWaalsContact O-N 3.12Å; L204-L215 HydrophobicContact CD2-CD1 4.03Å
205G80.9Confident88.3Confident34 Ų3485.4 Ų85.435%0.35141%0.411SS..THydrogen-bonded Turntrans-64.7-14.2-179.800000116.3Q202 R203Q202-G205 PolarHBondContact O-N 3.14Å; R203-G205 PolarHBondContact O-N 2.91Å
206L83Confident88.3Confident129 Ų12978.3 Ų78.368%0.67538%0.38SS*.THydrogen-bonded Turntrans-99.50.7179-62.2174.7000112.5R203 L204R203-L206 PolarHBondContact O-N 2.89Å; R203-L206 VanDerWaalsContact O-N 3.15Å; L204-L206 PolarHBondContact O-N 3.33Å; L204-L206 VanDerWaalsContact O-N 3.12Å
207L85.3Confident88.4Confident49 Ų4983.4 Ų83.426%0.25740%0.396SS..  trans-74.5135.5-174.8-63.1176.1000111.7L177 L204 D211 L215L177-L207 HydrophobicContact CD2-CD1 3.59Å; L204-L207 HydrophobicContact CB-CD1 4.33Å; L204-L207 HydrophobicContact CD2-CD1 3.45Å; L204-L207 VanDerWaalsContact CD2-CD1 3.45Å; L204-L207 HydrophobicContact CG-CD1 4.48Å; L204-L207 WeakPolarHBondContact O-CB 3.48Å; L204-L207 VanDerWaalsContact O-CG 3.24Å; L204-L207 WeakPolarHBondContact O-CG 3.49Å; L204-L207 PolarHBondContact O-N 3.27Å; L204-L207 VanDerWaalsContact O-N 3.12Å; L207-D211 HydrophobicContact CB-CB 4.28Å; L207-D211 HydrophobicContact CD2-CB 3.95Å; L207-L215 HydrophobicContact CD1-CD1 3.41Å; L207-L215 VanDerWaalsContact CD1-CD1 3.41Å; L207-L215 HydrophobicContact CD2-CD1 4.25Å; L207-L215 HydrophobicContact CG-CD1 4.48Å
208E84.2Confident88.6Confident143 Ų14386.6 Ų86.667%0.66841%0.411SS*.  trans-70.4165165.4-61.8-175.417600110.5R210 D211 T212E208-R210 VanDerWaalsContact C-N 3.28Å; E208-R210 PolarHBondContact O-N 3.07Å; E208-D211 PolarHBondContact O-N 3.47Å; E208-T212 PolarHBondContact O-N 3.19Å; E208-T212 PolarHBondContact O-OG1 3.01Å
209Q82.3Confident88.7Confident85 Ų8583.5 Ų83.540%0.39740%0.395SS..Hα-helixtrans-52.8-44.6179.5179.6-172.6-3.400113T168 A169 D211 T212 A213T168-Q209 PolarHBondContact O-NE2 3.37Å; T168-Q209 PolarHBondContact O-OE1 2.82Å; A169-Q209 VanDerWaalsContact CA-NE2 3.32Å; A169-Q209 VanDerWaalsContact CA-OE1 3.29Å; A169-Q209 HydrophobicContact CB-CB 3.63Å; A169-Q209 HydrophobicContact CB-CG 3.45Å; A169-Q209 VanDerWaalsContact CB-CG 3.45Å; Q209-D211 PolarHBondContact O-N 3.07Å; Q209-T212 WeakPolarHBondContact O-CB 3.4Å; Q209-T212 PolarHBondContact O-N 3.33Å; Q209-A213 PolarHBondContact O-N 3.2Å
210R82.7Confident88.8Confident195 Ų19581.7 Ų81.774%0.73639%0.392SS*.Hα-helixtrans-62-43.4-178177.3-177.8171.4-178.6-2.8111.9E208 T212 A213 M214E208-R210 VanDerWaalsContact C-N 3.28Å; E208-R210 PolarHBondContact O-N 3.07Å; R210-T212 VanDerWaalsContact C-N 3.32Å; R210-A213 PolarHBondContact O-N 3.47Å; R210-M214 PolarHBondContact O-N 3.09Å
211D89.3Confident89Confident71 Ų7183.6 Ų83.638%0.3840%0.402SS..Hα-helixtrans-70.7-37.5-178.5-63.5-30.9000110.8L207 E208 Q209 A213 M214 L215L207-D211 HydrophobicContact CB-CB 4.28Å; L207-D211 HydrophobicContact CD2-CB 3.95Å; E208-D211 PolarHBondContact O-N 3.47Å; Q209-D211 PolarHBondContact O-N 3.07Å; D211-A213 VanDerWaalsContact C-N 3.3Å; D211-A213 PolarHBondContact O-N 3.03Å; D211-M214 PolarHBondContact O-N 3.32Å; D211-L215 WeakPolarHBondContact O-CB 3.3Å; D211-L215 WeakPolarHBondContact O-CG 3.19Å; D211-L215 PolarHBondContact O-N 2.97Å
212T88.6Confident89.4Confident5 Ų582 Ų823%0.03140%0.396CS..Hα-helixtrans-58.5-47174.1-52.40000110Q173 L177 E208 Q209 R210 M214 L215 H216Q173-T212 HydrophobicContact CB-CG2 3.5Å; Q173-T212 VanDerWaalsContact CB-CG2 3.5Å; Q173-T212 WeakPolarHBondContact O-CG2 3.42Å; L177-T212 HydrophobicContact CB-CG2 4.15Å; L177-T212 HydrophobicContact CD2-CG2 3.77Å; E208-T212 PolarHBondContact O-N 3.19Å; E208-T212 PolarHBondContact O-OG1 3.01Å; Q209-T212 WeakPolarHBondContact O-CB 3.4Å; Q209-T212 PolarHBondContact O-N 3.33Å; R210-T212 VanDerWaalsContact C-N 3.32Å; T212-M214 PolarHBondContact O-N 3.37Å; T212-L215 PolarHBondContact O-N 3.06Å; T212-H216 PolarHBondContact O-CD2 2.77Å; T212-H216 PolarHBondContact O-N 2.8Å
213A89.1Confident89.6Confident51 Ų5178.2 Ų78.242%0.42138%0.378SS..Hα-helixtrans-63.8-38.8176.100000113.9Q209 R210 D211 H216 R217Q209-A213 PolarHBondContact O-N 3.2Å; R210-A213 PolarHBondContact O-N 3.47Å; D211-A213 VanDerWaalsContact C-N 3.3Å; D211-A213 PolarHBondContact O-N 3.03Å; A213-H216 WeakPolarHBondContact O-CB 3.46Å; A213-H216 PolarHBondContact O-N 2.86Å; A213-R217 PolarHBondContact O-N 3.37Å
214M90.4Very high89.8Confident101 Ų10177.1 Ų77.150%0.49838%0.377SS..Hα-helixtrans-69.1-41.3177.9-78.2-61.6-60.200112.5R210 D211 T212 H216 R217 L218R210-M214 PolarHBondContact O-N 3.09Å; D211-M214 PolarHBondContact O-N 3.32Å; T212-M214 PolarHBondContact O-N 3.37Å; M214-H216 VanDerWaalsContact C-N 3.28Å; M214-H216 PolarHBondContact O-N 3.41Å; M214-R217 WeakPolarHBondContact O-CB 3.31Å; M214-R217 PolarHBondContact O-N 3.18Å; M214-R217 VanDerWaalsContact O-N 3.07Å; M214-L218 PolarHBondContact O-N 3.14Å
215L93.5Very high90Very high55 Ų5581.7 Ų81.729%0.28840%0.402SS..Hα-helixtrans-66.4-35.3175.7-74.3170.8000111L177 L204 L207 D211 T212 R217 L218 L219L177-L215 HydrophobicContact CD1-CB 3.55Å; L177-L215 HydrophobicContact CD2-CB 3.72Å; L177-L215 HydrophobicContact CD2-CD1 3.86Å; L177-L215 HydrophobicContact CD2-CG 4.46Å; L177-L215 HydrophobicContact CG-CB 4.3Å; L204-L215 HydrophobicContact CD2-CD1 4.03Å; L207-L215 HydrophobicContact CD1-CD1 3.41Å; L207-L215 VanDerWaalsContact CD1-CD1 3.41Å; L207-L215 HydrophobicContact CD2-CD1 4.25Å; L207-L215 HydrophobicContact CG-CD1 4.48Å; D211-L215 WeakPolarHBondContact O-CB 3.3Å; D211-L215 WeakPolarHBondContact O-CG 3.19Å; D211-L215 PolarHBondContact O-N 2.97Å; T212-L215 PolarHBondContact O-N 3.06Å; L215-R217 PolarHBondContact O-N 3.5Å; L215-L218 HydrophobicContact CD2-CD2 4.29Å; L215-L218 PolarHBondContact O-N 3.28Å; L215-L219 WeakPolarHBondContact O-CB 3.28Å; L215-L219 VanDerWaalsContact O-CG 3.31Å; L215-L219 WeakPolarHBondContact O-CG 3.48Å; L215-L219 PolarHBondContact O-N 2.76Å
216H93.7Very high90.4Very high28 Ų2883.6 Ų83.613%0.1340%0.403CS..Hα-helixtrans-54.5-42.8168.8-87.2-74.4000112.6Q173 L177 R180 T212 A213 M214 H220Q173-H216 PolarHBondContact O-NE2 2.79Å; Q173-H216 PolarHBondContact OE1-CD2 3.15Å; Q173-H216 PolarHBondContact OE1-NE2 2.67Å; L177-H216 PolarHBondContact N-CE1 3.44Å; L177-H216 VanDerWaalsContact N-CE1 3.32Å; L177-H216 PolarHBondContact N-NE2 3.34Å; R180-H216 VanDerWaalsContact NH1-CA 3.25Å; R180-H216 PolarHBondContact NH1-ND1 2.99Å; R180-H216 PolarHBondContact NH1-O 3.3Å; R180-H216 PolarHBondContact NH2-O 2.92Å; T212-H216 PolarHBondContact O-CD2 2.77Å; T212-H216 PolarHBondContact O-N 2.8Å; A213-H216 WeakPolarHBondContact O-CB 3.46Å; A213-H216 PolarHBondContact O-N 2.86Å; M214-H216 VanDerWaalsContact C-N 3.28Å; M214-H216 PolarHBondContact O-N 3.41Å; H216-H220 WeakPolarHBondContact O-CB 3.46Å; H216-H220 PolarHBondContact O-N 3.37Å; H216-H220 VanDerWaalsContact O-N 3.14Å
217R94.6Very high90.1Very high164 Ų16483.3 Ų83.362%0.61941%0.407SS*.Hα-helixtrans-67.4-44.1177.5-173.5179.7-68.1172.5-1.1112.2A213 M214 L215 H220 D221A213-R217 PolarHBondContact O-N 3.37Å; M214-R217 WeakPolarHBondContact O-CB 3.31Å; M214-R217 PolarHBondContact O-N 3.18Å; M214-R217 VanDerWaalsContact O-N 3.07Å; L215-R217 PolarHBondContact O-N 3.5Å; R217-H220 VanDerWaalsContact O-CB 3.31Å; R217-H220 WeakPolarHBondContact O-CB 3.36Å; R217-H220 PolarHBondContact O-N 3.37Å; R217-D221 PolarHBondContact O-N 2.82Å
218L95.7Very high89Confident88 Ų8890.8 Ų90.846%0.46144%0.437SS..Hα-helixtrans-62-49.2178175.561.9000111.8M214 L215 H220 D221 I222M214-L218 PolarHBondContact O-N 3.14Å; L215-L218 HydrophobicContact CD2-CD2 4.29Å; L215-L218 PolarHBondContact O-N 3.28Å; L218-H220 PolarHBondContact O-N 2.96Å; L218-D221 PolarHBondContact O-N 3.22Å; L218-D221 VanDerWaalsContact O-N 3.09Å; L218-I222 HydrophobicContact CD1-CD1 3.93Å; L218-I222 HydrophobicContact CD1-CG1 4.09Å; L218-I222 HydrophobicContact CD2-CD1 4.41Å; L218-I222 HydrophobicContact CG-CD1 3.8Å; L218-I222 HydrophobicContact CG-CG1 4.37Å; L218-I222 WeakPolarHBondContact O-CG1 3.24Å; L218-I222 PolarHBondContact O-N 3.02Å
219L94.5Very high89.2Confident15 Ų1588.2 Ų88.28%0.07943%0.426CS..Hα-helixtrans-57.1-36.4177.2-66.1-171.3000110.5L177 R180 A181 L184 L215 I222 E223L177-L219 HydrophobicContact CD1-CD1 3.5Å; L177-L219 VanDerWaalsContact CD1-CD1 3.5Å; L177-L219 HydrophobicContact CD1-CG 4.25Å; R180-L219 HydrophobicContact CB-CD1 3.59Å; A181-L219 HydrophobicContact CB-CD1 4.17Å; L184-L219 HydrophobicContact CD2-CD2 3.44Å; L184-L219 VanDerWaalsContact CD2-CD2 3.44Å; L215-L219 WeakPolarHBondContact O-CB 3.28Å; L215-L219 VanDerWaalsContact O-CG 3.31Å; L215-L219 WeakPolarHBondContact O-CG 3.48Å; L215-L219 PolarHBondContact O-N 2.76Å; L219-I222 PolarHBondContact O-N 3.15Å; L219-E223 VanDerWaalsContact O-CB 3.28Å; L219-E223 WeakPolarHBondContact O-CB 3.47Å; L219-E223 WeakPolarHBondContact O-CG 3.33Å; L219-E223 PolarHBondContact O-N 3.12Å
220H94.4Very high89.6Confident101 Ų10188.3 Ų88.347%0.46843%0.427SS..Hα-helixtrans-64-44.7177178.672000112.3H216 R217 L218 K224H216-H220 WeakPolarHBondContact O-CB 3.46Å; H216-H220 PolarHBondContact O-N 3.37Å; H216-H220 VanDerWaalsContact O-N 3.14Å; R217-H220 VanDerWaalsContact O-CB 3.31Å; R217-H220 WeakPolarHBondContact O-CB 3.36Å; R217-H220 PolarHBondContact O-N 3.37Å; L218-H220 PolarHBondContact O-N 2.96Å; H220-K224 VanDerWaalsContact O-CB 3.3Å; H220-K224 WeakPolarHBondContact O-CB 3.3Å; H220-K224 PolarHBondContact O-N 3.3Å
221D94.5Very high90Very high73 Ų7382.4 Ų82.439%0.3941%0.41SS..Hα-helixtrans-68.8-36.7178.6-71-32000112.3R217 L218 K224 N225R217-D221 PolarHBondContact O-N 2.82Å; L218-D221 PolarHBondContact O-N 3.22Å; L218-D221 VanDerWaalsContact O-N 3.09Å; D221-K224 PolarHBondContact O-N 3.27Å; D221-N225 PolarHBondContact O-N 3.35Å; D221-N225 VanDerWaalsContact O-N 3.16Å; D221-N225 PolarHBondContact O-ND2 2.84Å
222I94.9Very high90Very high54 Ų5483.1 Ų83.128%0.27741%0.412SS..Hα-helixtrans-63.9-53.3174.5-65.7170.6000109.9L184 L218 L219 K224 N225 I226L184-I222 HydrophobicContact CD1-CG2 3.67Å; L184-I222 HydrophobicContact CD2-CB 4.35Å; L184-I222 HydrophobicContact CD2-CD1 4.11Å; L184-I222 HydrophobicContact CD2-CG2 3.85Å; L184-I222 HydrophobicContact CG-CG2 4.41Å; L218-I222 HydrophobicContact CD1-CD1 3.93Å; L218-I222 HydrophobicContact CD1-CG1 4.09Å; L218-I222 HydrophobicContact CD2-CD1 4.41Å; L218-I222 HydrophobicContact CG-CD1 3.8Å; L218-I222 HydrophobicContact CG-CG1 4.37Å; L218-I222 WeakPolarHBondContact O-CG1 3.24Å; L218-I222 PolarHBondContact O-N 3.02Å; L219-I222 PolarHBondContact O-N 3.15Å; I222-K224 PolarHBondContact O-N 2.97Å; I222-N225 PolarHBondContact O-N 3.31Å; I222-I226 HydrophobicContact CG2-CD1 3.5Å; I222-I226 VanDerWaalsContact CG2-CD1 3.5Å; I222-I226 HydrophobicContact CG2-CG1 4.21Å; I222-I226 WeakPolarHBondContact O-CG1 3.47Å; I222-I226 PolarHBondContact O-N 3.33Å
223E93Very high90.1Very high59 Ų5987.9 Ų87.928%0.27644%0.436SS..Hα-helixtrans-52.4-43.3177.4-72.1157.4-174.700110.9R180 L219 N225 T227R180-E223 IonicContact CZ-OE1 2.69Å; R180-E223 IonicContact CZ-OE2 2.83Å; R180-E223 IonicContact NE-OE1 2.67Å; R180-E223 PolarHBondContact NE-OE1 3.16Å; R180-E223 VanDerWaalsContact NE-OE1 3.08Å; R180-E223 IonicContact NE-OE2 2.89Å; R180-E223 VanDerWaalsContact NH2-CD 3.32Å; R180-E223 IonicContact NH2-OE1 3.05Å; R180-E223 PolarHBondContact NH2-OE1 2.98Å; R180-E223 IonicContact NH2-OE2 3.73Å; R180-E223 PolarHBondContact NH2-OE2 3.27Å; L219-E223 VanDerWaalsContact O-CB 3.28Å; L219-E223 WeakPolarHBondContact O-CB 3.47Å; L219-E223 WeakPolarHBondContact O-CG 3.33Å; L219-E223 PolarHBondContact O-N 3.12Å; E223-N225 PolarHBondContact O-N 2.79Å; E223-T227 PolarHBondContact O-N 2.7Å; E223-T227 PolarHBondContact O-OG1 3.24Å
224K92.2Very high90.2Very high113 Ų11390.4 Ų90.449%0.49144%0.437SS..Hα-helixtrans-64.9-32.7178.5-177.1-179.9178.3-178.60114.3H220 D221 I222H220-K224 VanDerWaalsContact O-CB 3.3Å; H220-K224 WeakPolarHBondContact O-CB 3.3Å; H220-K224 PolarHBondContact O-N 3.3Å; D221-K224 PolarHBondContact O-N 3.27Å; I222-K224 PolarHBondContact O-N 2.97Å
225N92.7Very high90.2Very high103 Ų10389.6 Ų89.655%0.55143%0.432SS*.Hα-helixtrans-88.8-26.2-179.2-75.8-74.7000113D221 I222 E223 T227D221-N225 PolarHBondContact O-N 3.35Å; D221-N225 VanDerWaalsContact O-N 3.16Å; D221-N225 PolarHBondContact O-ND2 2.84Å; I222-N225 PolarHBondContact O-N 3.31Å; E223-N225 PolarHBondContact O-N 2.79Å; N225-T227 VanDerWaalsContact C-N 3.33Å
226I89.3Confident89.9Confident73 Ų7392.3 Ų92.337%0.37444%0.444SS..Hα-helixtrans-71.2-30.5173.1-65.5170000111.4L184 T187 L188 I222 K228L184-I226 HydrophobicContact CD1-CD1 3.67Å; T187-I226 HydrophobicContact CG2-CG2 3.98Å; L188-I226 HydrophobicContact CD2-CD1 3.58Å; L188-I226 HydrophobicContact CG-CD1 4.23Å; I222-I226 HydrophobicContact CG2-CD1 3.5Å; I222-I226 VanDerWaalsContact CG2-CD1 3.5Å; I222-I226 HydrophobicContact CG2-CG1 4.21Å; I222-I226 WeakPolarHBondContact O-CG1 3.47Å; I222-I226 PolarHBondContact O-N 3.33Å; I226-K228 VanDerWaalsContact C-N 3.29Å; I226-K228 PolarHBondContact O-N 2.96Å
227T77Confident89.6Confident124 Ų12497.7 Ų97.776%0.76147%0.47SS*.THydrogen-bonded Turntrans-82.6-0.5-177.2-420000113.6E223 N225E223-T227 PolarHBondContact O-N 2.7Å; E223-T227 PolarHBondContact O-OG1 3.24Å; N225-T227 VanDerWaalsContact C-N 3.33Å
228K62.6Low89.2Confident205 Ų20591.6 Ų91.689%0.89146%0.456SS*.  trans-101.40178-74.1-178.2179.6-177.10111.3I226I226-K228 VanDerWaalsContact C-N 3.29Å; I226-K228 PolarHBondContact O-N 2.96Å

Retrieved 228 of 228 residues in 64.2 ms (Link to these results)

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