A0A077YX46_TRITR Loading...

Glycine N-acyltransferase-like protein

AlphaFold DB , UniProt , Accession A0A077YX46, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 298 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
1M80.7Confident93.9Very high205 Ų20579 Ų79100%1.0142%0.418SS*.  0131.50-178-177.3-72.100105.9H3M1-H3 PolarHBondContact O-N 3.27Å
2L95.5Very high94.1Very high38 Ų3877.3 Ų77.320%0.19941%0.406CS..  trans-59.9121.3178.1-176.670000109.1Y52 F95 T98 I99L2-Y52 HydrophobicContact CD1-CD1 3.81Å; L2-Y52 HydrophobicContact CD1-CG 3.89Å; L2-Y52 HydrophobicContact CD2-CD1 3.88Å; L2-Y52 HydrophobicContact CD2-CE1 4.02Å; L2-Y52 HydrophobicContact CD2-CG 4.4Å; L2-Y52 HydrophobicContact CG-CD1 3.69Å; L2-Y52 HydrophobicContact CG-CE1 4.25Å; L2-Y52 HydrophobicContact CG-CG 4.27Å; L2-F95 HydrophobicContact CD1-CD2 3.72Å; L2-F95 HydrophobicContact CD1-CE2 3.39Å; L2-T98 HydrophobicContact CB-CG2 3.89Å; L2-T98 HydrophobicContact CD2-CG2 4.07Å; L2-T98 HydrophobicContact CG-CG2 4.46Å; L2-I99 HydrophobicContact CD1-CD1 4.49Å; L2-I99 HydrophobicContact CD1-CG1 3.88Å
3H97.9Very high94.4Very high50 Ų5071.4 Ų71.423%0.23138%0.375CS..EExtended strand (participates in β ladder)trans-112.2130.4179.4-176.679.4000109.7M1 E9 Y52 A53 W56M1-H3 PolarHBondContact O-N 3.27Å; H3-E9 IonicContact CD2-OE2 3.78Å; H3-E9 IonicContact CE1-OE1 3.73Å; H3-E9 IonicContact CE1-OE2 3.74Å; H3-E9 IonicContact NE2-OE1 3.34Å; H3-E9 PolarHBondContact NE2-OE1 3.12Å; H3-E9 IonicContact NE2-OE2 2.81Å; H3-E9 PolarHBondContact NE2-OE2 3.11Å; H3-Y52 CarbonylContact O-C 3.53Å; H3-Y52 VanDerWaalsContact O-CA 3.31Å; H3-Y52 WeakPolarHBondContact O-CA 3.49Å; H3-A53 HydrophobicContact CB-CB 4.37Å; H3-A53 PolarHBondContact N-O 3.32Å; H3-A53 PolarHBondContact O-N 2.9Å; H3-W56 HydrophobicContact CB-CB 3.88Å; H3-W56 AromaticContact CD2-CD2 3.61Å; H3-W56 AromaticContact CD2-CE3 3.79Å; H3-W56 AromaticContact CD2-CG 3.6Å; H3-W56 AromaticContact CE1-CD1 3.78Å; H3-W56 AromaticContact CE1-CG 3.89Å; H3-W56 AromaticContact CG-CG 3.81Å; H3-W56 AromaticContact NE2-CD1 3.75Å; H3-W56 AromaticContact NE2-CD2 3.72Å; H3-W56 AromaticContact NE2-CE2 4Å; H3-W56 AromaticContact NE2-CG 3.65Å; H3-W56 AromaticContact NE2-NE1 3.9Å
4E97.2Very high94.6Very high79 Ų7967.1 Ų67.137%0.36935%0.353SS..EExtended strand (participates in β ladder)trans-87.8116.1172.1-165.1166.8124.200108.3M6 I50 Y52 R102E4-M6 PolarHBondContact O-N 3.08Å; E4-I50 HydrophobicContact CG-CG2 3.99Å; E4-Y52 HydrophobicContact CB-CD1 4.19Å; E4-Y52 HydrophobicContact CB-CE1 3.83Å; E4-Y52 HydrophobicContact CG-CD1 4.41Å; E4-Y52 HydrophobicContact CG-CE1 3.87Å; E4-Y52 WeakPolarHBondContact OE2-CE1 3.46Å; E4-Y52 PolarHBondContact OE2-OH 3.4Å; E4-R102 IonicContact OE2-CZ 3.57Å; E4-R102 IonicContact OE2-NH2 3.75Å; E4-R102 PolarHBondContact OE2-NH2 2.9Å
5V96.7Very high94.7Very high12 Ų1272.9 Ų72.97%0.07337%0.368CS..  trans-74.8114.6-175.2-177.50000109E9 L10 A13 C51 A53 W56 L62V5-E9 HydrophobicContact CG1-CB 3.73Å; V5-L10 HydrophobicContact CG1-CD2 4.04Å; V5-A13 HydrophobicContact CG1-CB 4.21Å; V5-C51 HydrophobicContact CB-CB 4.07Å; V5-C51 HydrophobicContact CG2-CB 4.47Å; V5-C51 PolarHBondContact N-O 3.17Å; V5-A53 HydrophobicContact CG2-CB 3.83Å; V5-W56 HydrophobicContact CG1-CH2 4.34Å; V5-W56 HydrophobicContact CG1-CZ3 4.39Å; V5-W56 HydrophobicContact CG2-CZ3 4.11Å; V5-L62 HydrophobicContact CG2-CD2 4.41Å
6M93.8Very high94.9Very high103 Ų10369.8 Ų69.851%0.50735%0.352SS..  trans-77.4163.6179.7-57.1-57.5-67.600111.6E4 S8 E9 L10E4-M6 PolarHBondContact O-N 3.08Å; M6-S8 PolarHBondContact O-N 3.35Å; M6-E9 HydrophobicContact CB-CG 4.26Å; M6-E9 PolarHBondContact N-OE2 2.99Å; M6-E9 WeakPolarHBondContact O-CA 3.36Å; M6-E9 VanDerWaalsContact O-CB 3.32Å; M6-E9 WeakPolarHBondContact O-CB 3.13Å; M6-E9 PolarHBondContact O-N 3.21Å; M6-L10 PolarHBondContact O-N 2.91Å
7T90.2Very high95.1Very high111 Ų11165.7 Ų65.768%0.68133%0.332SS*.G310 helixtrans-54.2-39.8177.2-51.40000112.8E9 L10T7-E9 PolarHBondContact O-N 2.99Å; T7-L10 HydrophobicContact CG2-CD1 4.34Å; T7-L10 PolarHBondContact O-N 3.01Å
8S93.1Very high95.2Very high111 Ų11167.2 Ų67.278%0.77634%0.337SS*.G310 helixtrans-66.7-12.7176.653.80000114.1M6M6-S8 PolarHBondContact O-N 3.35Å
9E96.4Very high95.2Very high35 Ų3568.6 Ų68.616%0.16435%0.354CS..G310 helixtrans-106.3-8.5-175.1-65.6-179.5143.700112.5H3 V5 M6 T7 E11 Q12 A13 W56H3-E9 IonicContact CD2-OE2 3.78Å; H3-E9 IonicContact CE1-OE1 3.73Å; H3-E9 IonicContact CE1-OE2 3.74Å; H3-E9 IonicContact NE2-OE1 3.34Å; H3-E9 PolarHBondContact NE2-OE1 3.12Å; H3-E9 IonicContact NE2-OE2 2.81Å; H3-E9 PolarHBondContact NE2-OE2 3.11Å; V5-E9 HydrophobicContact CG1-CB 3.73Å; M6-E9 HydrophobicContact CB-CG 4.26Å; M6-E9 PolarHBondContact N-OE2 2.99Å; M6-E9 WeakPolarHBondContact O-CA 3.36Å; M6-E9 VanDerWaalsContact O-CB 3.32Å; M6-E9 WeakPolarHBondContact O-CB 3.13Å; M6-E9 PolarHBondContact O-N 3.21Å; T7-E9 PolarHBondContact O-N 2.99Å; E9-E11 VanDerWaalsContact C-N 3.28Å; E9-E11 PolarHBondContact O-N 3.29Å; E9-Q12 WeakPolarHBondContact O-CB 3.17Å; E9-Q12 PolarHBondContact O-N 2.62Å; E9-A13 PolarHBondContact O-N 2.69Å; E9-W56 HydrophobicContact CB-CH2 3.66Å; E9-W56 HydrophobicContact CB-CZ2 3.46Å; E9-W56 VanDerWaalsContact CB-CZ2 3.46Å; E9-W56 HydrophobicContact CG-CH2 4.32Å; E9-W56 HydrophobicContact CG-CZ2 3.6Å; E9-W56 PolarHBondContact OE1-NE1 2.8Å
10L95.4Very high95.3Very high12 Ų1266.9 Ų66.96%0.06335%0.345CS..Hα-helixtrans-60.1-34.7-176.7-66.9178.8000112.9V5 M6 T7 Q12 A13 M14 W30 L31 R34 L35V5-L10 HydrophobicContact CG1-CD2 4.04Å; M6-L10 PolarHBondContact O-N 2.91Å; T7-L10 HydrophobicContact CG2-CD1 4.34Å; T7-L10 PolarHBondContact O-N 3.01Å; L10-Q12 VanDerWaalsContact C-N 3.26Å; L10-Q12 PolarHBondContact O-N 2.98Å; L10-A13 PolarHBondContact O-N 2.9Å; L10-M14 VanDerWaalsContact O-CB 3.31Å; L10-M14 WeakPolarHBondContact O-CB 3.38Å; L10-M14 PolarHBondContact O-N 3Å; L10-W30 HydrophobicContact CD2-CZ3 4.21Å; L10-L31 HydrophobicContact CD2-CD2 3.71Å; L10-R34 HydrophobicContact CD1-CB 4.19Å; L10-L35 HydrophobicContact CB-CD1 4.05Å; L10-L35 HydrophobicContact CB-CD2 3.69Å; L10-L35 HydrophobicContact CB-CG 3.84Å; L10-L35 HydrophobicContact CD1-CD2 4.45Å; L10-L35 HydrophobicContact CD1-CG 4.46Å
11E96Very high95.4Very high113 Ų11365.2 Ų65.253%0.52834%0.337SS..Hα-helixtrans-63.5-33.8176-69-170.1164.600112.4E9 M14 R15 L35E9-E11 VanDerWaalsContact C-N 3.28Å; E9-E11 PolarHBondContact O-N 3.29Å; E11-M14 WeakPolarHBondContact O-CB 3.26Å; E11-M14 PolarHBondContact O-N 3.43Å; E11-R15 WeakPolarHBondContact O-CG 3.47Å; E11-R15 PolarHBondContact O-N 3.22Å; E11-R15 VanDerWaalsContact O-N 3.09Å; E11-L35 HydrophobicContact CG-CD1 4.38Å; E11-L35 HydrophobicContact CG-CD2 3.87Å
12Q96.3Very high96.2Very high59 Ų5956.5 Ų56.528%0.27630%0.296SS..Hα-helixtrans-73.4-41.3177.4178.8158.611.800111.4E9 L10 M14 R15 L16 W56 P57E9-Q12 WeakPolarHBondContact O-CB 3.17Å; E9-Q12 PolarHBondContact O-N 2.62Å; L10-Q12 VanDerWaalsContact C-N 3.26Å; L10-Q12 PolarHBondContact O-N 2.98Å; Q12-M14 VanDerWaalsContact C-N 3.26Å; Q12-M14 PolarHBondContact O-N 2.98Å; Q12-R15 PolarHBondContact O-N 3.49Å; Q12-L16 PolarHBondContact O-N 3.49Å; Q12-W56 HydrophobicContact CB-CH2 3.8Å; Q12-W56 HydrophobicContact CB-CZ2 4.12Å; Q12-W56 HydrophobicContact CG-CH2 3.72Å; Q12-W56 HydrophobicContact CG-CZ2 3.99Å; Q12-P57 PolarHBondContact NE2-O 3.16Å
13A97.8Very high96.2Very high0 Ų058.2 Ų58.20%030%0.301CS..Hα-helixtrans-61.8-36.3169.600000111.8V5 E9 L10 R15 L16 T17 L31 L62V5-A13 HydrophobicContact CG1-CB 4.21Å; E9-A13 PolarHBondContact O-N 2.69Å; L10-A13 PolarHBondContact O-N 2.9Å; A13-R15 PolarHBondContact O-N 2.86Å; A13-L16 WeakPolarHBondContact O-CB 3.26Å; A13-L16 PolarHBondContact O-N 3Å; A13-T17 PolarHBondContact O-N 3.4Å; A13-L31 HydrophobicContact CB-CD1 4.01Å; A13-L31 HydrophobicContact CB-CD2 4.01Å; A13-L62 HydrophobicContact CB-CD1 4.03Å; A13-L62 HydrophobicContact CB-CD2 4.4Å
14M96.9Very high96.2Very high12 Ų1255.9 Ų55.96%0.05929%0.291CS..Hα-helixtrans-61.5-42.6176.5-179.162.787.700111.5L10 E11 Q12 L16 T17 Q18 H28 L31 H32 L35 Y36L10-M14 VanDerWaalsContact O-CB 3.31Å; L10-M14 WeakPolarHBondContact O-CB 3.38Å; L10-M14 PolarHBondContact O-N 3Å; E11-M14 WeakPolarHBondContact O-CB 3.26Å; E11-M14 PolarHBondContact O-N 3.43Å; Q12-M14 VanDerWaalsContact C-N 3.26Å; Q12-M14 PolarHBondContact O-N 2.98Å; M14-L16 VanDerWaalsContact C-N 3.32Å; M14-L16 PolarHBondContact O-N 2.97Å; M14-T17 PolarHBondContact O-N 2.98Å; M14-T17 PolarHBondContact O-OG1 3.13Å; M14-Q18 WeakPolarHBondContact O-CB 3.29Å; M14-Q18 PolarHBondContact O-N 2.87Å; M14-H28 PolarHBondContact SD-CE1 2.99Å; M14-H28 PolarHBondContact SD-ND1 3.16Å; M14-L31 VanDerWaalsContact CE-C 3.45Å; M14-L31 HydrophobicContact CE-CB 3.57Å; M14-L31 HydrophobicContact SD-CB 4.12Å; M14-H32 HydrophobicContact CE-CB 3.79Å; M14-L35 HydrophobicContact CB-CD1 3.87Å; M14-L35 HydrophobicContact CE-CD1 3.79Å; M14-L35 HydrophobicContact CG-CD1 4.26Å; M14-Y36 HydrophobicContact CE-CE2 4.01Å
15R97.1Very high96.2Very high153 Ų15352.1 Ų52.158%0.57727%0.273SS*.Hα-helixtrans-58.3-42.1176.6-72.7-171.6-69.6-104.35.1112.7E11 Q12 A13 S19E11-R15 WeakPolarHBondContact O-CG 3.47Å; E11-R15 PolarHBondContact O-N 3.22Å; E11-R15 VanDerWaalsContact O-N 3.09Å; Q12-R15 PolarHBondContact O-N 3.49Å; A13-R15 PolarHBondContact O-N 2.86Å; R15-S19 PolarHBondContact O-N 3.26Å; R15-S19 PolarHBondContact O-OG 3.14Å
16L97.7Very high96.2Very high24 Ų2452.1 Ų52.113%0.12627%0.273CS..Hα-helixtrans-59.2-49.7174.7169.767.6000111.1Q12 A13 M14 S19 N20 P59 L62 F82Q12-L16 PolarHBondContact O-N 3.49Å; A13-L16 WeakPolarHBondContact O-CB 3.26Å; A13-L16 PolarHBondContact O-N 3Å; M14-L16 VanDerWaalsContact C-N 3.32Å; M14-L16 PolarHBondContact O-N 2.97Å; L16-S19 PolarHBondContact O-OG 3.02Å; L16-N20 PolarHBondContact O-ND2 2.98Å; L16-P59 HydrophobicContact CB-CG 4.47Å; L16-P59 WeakPolarHBondContact CD1-O 3.42Å; L16-P59 HydrophobicContact CD2-CB 3.98Å; L16-P59 HydrophobicContact CD2-CG 3.97Å; L16-P59 WeakPolarHBondContact CD2-O 3.45Å; L16-L62 HydrophobicContact CD2-CD1 4.07Å; L16-L62 HydrophobicContact CD2-CG 3.97Å; L16-F82 HydrophobicContact CD1-CE1 4.14Å; L16-F82 HydrophobicContact CD2-CD1 4.37Å; L16-F82 HydrophobicContact CD2-CE1 4.09Å; L16-F82 HydrophobicContact CG-CE1 3.88Å
17T97.8Very high96.3Very high0 Ų047.2 Ų47.20%025%0.249CC..Hα-helixtrans-68-40.8-177.762.70000111.5A13 M14 S19 N20 L21 S24 V27 H28 L31 L62 F82A13-T17 PolarHBondContact O-N 3.4Å; M14-T17 PolarHBondContact O-N 2.98Å; M14-T17 PolarHBondContact O-OG1 3.13Å; T17-S19 VanDerWaalsContact C-N 3.33Å; T17-S19 PolarHBondContact O-N 3.48Å; T17-N20 CarbonylContact O-C 3.56Å; T17-N20 PolarHBondContact O-N 2.99Å; T17-L21 PolarHBondContact O-N 3.38Å; T17-S24 WeakPolarHBondContact O-CB 3.49Å; T17-S24 PolarHBondContact O-OG 3.22Å; T17-V27 HydrophobicContact CG2-CB 4.28Å; T17-V27 HydrophobicContact CG2-CG1 4.01Å; T17-H28 PolarHBondContact OG1-ND1 2.92Å; T17-L31 HydrophobicContact CG2-CD1 3.64Å; T17-L62 HydrophobicContact CG2-CD1 3.75Å; T17-F82 HydrophobicContact CG2-CD1 4.36Å
18Q97Very high96.6Very high93 Ų9342.1 Ų42.144%0.43522%0.217SC..Hα-helixtrans-58.4-41.9179.1-178.666.152.100112.5M14 N20 H28M14-Q18 WeakPolarHBondContact O-CB 3.29Å; M14-Q18 PolarHBondContact O-N 2.87Å; Q18-N20 PolarHBondContact O-N 3.3Å; Q18-H28 PolarHBondContact OE1-CE1 2.98Å
19S96.2Very high96.7Very high93 Ų9336.9 Ų36.965%0.6518%0.181SC*.Hα-helixtrans-72.4-13.6179.562.40000113.8R15 L16 T17R15-S19 PolarHBondContact O-N 3.26Å; R15-S19 PolarHBondContact O-OG 3.14Å; L16-S19 PolarHBondContact O-OG 3.02Å; T17-S19 VanDerWaalsContact C-N 3.33Å; T17-S19 PolarHBondContact O-N 3.48Å
20N97.3Very high96.6Very high34 Ų3435.5 Ų35.518%0.18217%0.174CC..THydrogen-bonded Turntrans-113.115.2-177.1-74.1-89.4000113.5L16 T17 Q18 K23 S24 F82L16-N20 PolarHBondContact O-ND2 2.98Å; T17-N20 CarbonylContact O-C 3.56Å; T17-N20 PolarHBondContact O-N 2.99Å; Q18-N20 PolarHBondContact O-N 3.3Å; N20-K23 WeakPolarHBondContact O-CB 3.44Å; N20-K23 PolarHBondContact O-N 3.23Å; N20-S24 PolarHBondContact O-N 3.49Å; N20-S24 PolarHBondContact O-OG 3.44Å; N20-F82 HydrophobicContact CB-CE1 4.09Å; N20-F82 HydrophobicContact CB-CE2 3.71Å; N20-F82 HydrophobicContact CB-CZ 3.24Å; N20-F82 VanDerWaalsContact CG-CZ 3.42Å
21L97.1Very high96.5Very high32 Ų3234.9 Ų34.917%0.16817%0.171CC..THydrogen-bonded Turntrans-63.7142.2172.3-74169.7000110.8T17 S24 I25 H28 W145 I260T17-L21 PolarHBondContact O-N 3.38Å; L21-S24 PolarHBondContact N-OG 3.4Å; L21-I25 HydrophobicContact CD2-CB 3.86Å; L21-I25 HydrophobicContact CD2-CD1 4.42Å; L21-I25 HydrophobicContact CD2-CG1 3.99Å; L21-H28 HydrophobicContact CD2-CB 4.11Å; L21-W145 HydrophobicContact CB-CH2 4.15Å; L21-W145 HydrophobicContact CB-CZ3 4.01Å; L21-W145 HydrophobicContact CD1-CZ3 4.42Å; L21-I260 HydrophobicContact CD1-CD1 3.48Å; L21-I260 VanDerWaalsContact CD1-CD1 3.48Å
22P96.8Very high96.4Very high23 Ų2330.2 Ų30.215%0.14915%0.149CC..THydrogen-bonded Turncis-89.4-1.24.134.4-36000115.5S24 I25 W145 A285P22-S24 PolarHBondContact O-N 3.17Å; P22-I25 VanDerWaalsContact O-CB 3.27Å; P22-I25 WeakPolarHBondContact O-CB 3.47Å; P22-I25 VanDerWaalsContact O-CG2 3.31Å; P22-I25 WeakPolarHBondContact O-CG2 3.44Å; P22-I25 PolarHBondContact O-N 2.5Å; P22-I25 VanDerWaalsContact O-N 3.12Å; P22-W145 HydrophobicContact CB-CD2 3.65Å; P22-W145 HydrophobicContact CB-CE3 4.12Å; P22-W145 HydrophobicContact CB-CG 3.92Å; P22-W145 HydrophobicContact CB-CH2 4.42Å; P22-W145 HydrophobicContact CB-CZ2 3.99Å; P22-W145 HydrophobicContact CB-CZ3 4.48Å; P22-W145 HydrophobicContact CG-CD2 4.44Å; P22-W145 HydrophobicContact CG-CZ2 4.1Å; P22-A285 HydrophobicContact CB-CB 3.97Å; P22-A285 HydrophobicContact CG-CB 3.9Å; P22-A285 WeakPolarHBondContact CG-O 3.42Å
23K96.6Very high96Very high73 Ų7327.4 Ų27.432%0.31714%0.136SC..THydrogen-bonded Turntrans-62.6-28.9-175-68.8-179.1173-177.40113.3N20 F82 D85 F287N20-K23 WeakPolarHBondContact O-CB 3.44Å; N20-K23 PolarHBondContact O-N 3.23Å; K23-F82 HydrophobicContact CB-CE2 4.25Å; K23-D85 IonicContact NZ-OD1 2.73Å; K23-D85 PolarHBondContact NZ-OD1 3.25Å; K23-D85 IonicContact NZ-OD2 3.51Å; K23-D85 PolarHBondContact NZ-OD2 2.68Å; K23-F287 HydrophobicContact CG-CD1 4.44Å; K23-F287 HydrophobicContact CG-CE1 4.35Å
24S97.2Very high95.6Very high1 Ų129.3 Ų29.31%0.00714%0.143CC..THydrogen-bonded Turntrans-89.70.1179.363.40000114.5T17 N20 L21 P22 V26 V27 H28T17-S24 WeakPolarHBondContact O-CB 3.49Å; T17-S24 PolarHBondContact O-OG 3.22Å; N20-S24 PolarHBondContact O-N 3.49Å; N20-S24 PolarHBondContact O-OG 3.44Å; L21-S24 PolarHBondContact N-OG 3.4Å; P22-S24 PolarHBondContact O-N 3.17Å; S24-V26 PolarHBondContact O-N 3.46Å; S24-V27 PolarHBondContact O-N 2.85Å; S24-H28 WeakPolarHBondContact O-CB 3.13Å; S24-H28 PolarHBondContact O-N 3.03Å
25I96.9Very high95.3Very high1 Ų130.7 Ų30.71%0.00515%0.151CC..Hα-helixtrans-56.8-31.2-159.4-164.1157.3000115.1L21 P22 H29 W145 I260 Y262L21-I25 HydrophobicContact CD2-CB 3.86Å; L21-I25 HydrophobicContact CD2-CD1 4.42Å; L21-I25 HydrophobicContact CD2-CG1 3.99Å; P22-I25 VanDerWaalsContact O-CB 3.27Å; P22-I25 WeakPolarHBondContact O-CB 3.47Å; P22-I25 VanDerWaalsContact O-CG2 3.31Å; P22-I25 WeakPolarHBondContact O-CG2 3.44Å; P22-I25 PolarHBondContact O-N 2.5Å; P22-I25 VanDerWaalsContact O-N 3.12Å; I25-H29 PolarHBondContact O-N 3.48Å; I25-H29 PolarHBondContact O-ND1 2.84Å; I25-W145 HydrophobicContact CD1-CB 3.6Å; I25-W145 HydrophobicContact CD1-CD2 4.37Å; I25-W145 HydrophobicContact CD1-CE3 3.94Å; I25-W145 HydrophobicContact CD1-CG 4.29Å; I25-I260 HydrophobicContact CD1-CG2 4.22Å; I25-Y262 VanDerWaalsContact CD1-CB 3.44Å; I25-Y262 HydrophobicContact CD1-CD1 4.16Å; I25-Y262 HydrophobicContact CD1-CD2 4.36Å; I25-Y262 HydrophobicContact CD1-CG 3.76Å; I25-Y262 HydrophobicContact CG1-CD1 3.99Å; I25-Y262 HydrophobicContact CG1-CD2 4.3Å; I25-Y262 HydrophobicContact CG1-CE1 4.45Å; I25-Y262 HydrophobicContact CG1-CG 3.91Å; I25-Y262 HydrophobicContact CG2-CD2 3.85Å; I25-Y262 HydrophobicContact CG2-CE2 4.02Å; I25-Y262 HydrophobicContact CG2-CG 4.32Å
26V96.1Very high94.9Very high11 Ų1129.5 Ų29.57%0.06715%0.147CC..Hα-helixtrans-69.6-51.6178.7-176.40000110.6S24 H28 H29 W30 A80 V114 Y225 Y262S24-V26 PolarHBondContact O-N 3.46Å; V26-H28 VanDerWaalsContact C-N 3.33Å; V26-H29 PolarHBondContact O-N 3.4Å; V26-W30 PolarHBondContact O-N 2.81Å; V26-W30 VanDerWaalsContact O-N 3.08Å; V26-A80 HydrophobicContact CG1-CB 3.6Å; V26-V114 HydrophobicContact CG1-CG1 4.44Å; V26-Y225 HydrophobicContact CG1-CD1 3.57Å; V26-Y225 HydrophobicContact CG1-CE1 4.28Å; V26-Y225 HydrophobicContact CG1-CG 4.18Å; V26-Y262 HydrophobicContact CG2-CE2 4.14Å
27V96.9Very high94.1Very high0 Ų029.2 Ų29.20%015%0.146CC..Hα-helixtrans-70.1-34.2177.7-177.20000110.7T17 S24 H29 W30 L31 L62 V64 A80 F82T17-V27 HydrophobicContact CG2-CB 4.28Å; T17-V27 HydrophobicContact CG2-CG1 4.01Å; S24-V27 PolarHBondContact O-N 2.85Å; V27-H29 PolarHBondContact O-N 2.96Å; V27-W30 WeakPolarHBondContact O-CB 3.27Å; V27-W30 PolarHBondContact O-N 3.17Å; V27-L31 HydrophobicContact CG1-CD1 4.28Å; V27-L31 WeakPolarHBondContact O-CG 3.4Å; V27-L31 PolarHBondContact O-N 3.34Å; V27-L62 HydrophobicContact CG1-CB 4Å; V27-L62 HydrophobicContact CG1-CD1 3.9Å; V27-V64 HydrophobicContact CG1-CG1 4.08Å; V27-A80 HydrophobicContact CG2-CB 4.22Å; V27-F82 HydrophobicContact CB-CB 4.07Å; V27-F82 HydrophobicContact CG2-CB 3.7Å
28H96.3Very high93Very high4 Ų432.8 Ų32.82%0.01917%0.17CC..Hα-helixtrans-57.1-47.4172.4-176.675.9000111.6M14 T17 Q18 L21 S24 V26 L31 H32M14-H28 PolarHBondContact SD-CE1 2.99Å; M14-H28 PolarHBondContact SD-ND1 3.16Å; T17-H28 PolarHBondContact OG1-ND1 2.92Å; Q18-H28 PolarHBondContact OE1-CE1 2.98Å; L21-H28 HydrophobicContact CD2-CB 4.11Å; S24-H28 WeakPolarHBondContact O-CB 3.13Å; S24-H28 PolarHBondContact O-N 3.03Å; V26-H28 VanDerWaalsContact C-N 3.33Å; H28-L31 PolarHBondContact O-N 3.2Å; H28-H32 WeakPolarHBondContact O-CB 3.18Å; H28-H32 PolarHBondContact O-N 3Å
29H94.4Very high91.9Very high1 Ų132.5 Ų32.51%0.00518%0.178CC..Hα-helixtrans-63.1-43.8175.5-90.176.4000112.7I25 V26 V27 L31 H32 L33 Y225 I259 I260 Y262I25-H29 PolarHBondContact O-N 3.48Å; I25-H29 PolarHBondContact O-ND1 2.84Å; V26-H29 PolarHBondContact O-N 3.4Å; V27-H29 PolarHBondContact O-N 2.96Å; H29-L31 PolarHBondContact O-N 3.12Å; H29-H32 PolarHBondContact O-N 3.18Å; H29-L33 WeakPolarHBondContact O-CG 3.22Å; H29-L33 PolarHBondContact O-N 3.3Å; H29-Y225 WeakPolarHBondContact CB-O 3.14Å; H29-I259 WeakPolarHBondContact NE2-CG2 3.12Å; H29-I260 PolarHBondContact CE1-O 2.88Å; H29-I260 PolarHBondContact NE2-O 3.16Å; H29-I260 VanDerWaalsContact NE2-O 3.08Å; H29-Y262 HydrophobicContact CB-CE1 4.34Å; H29-Y262 AromaticContact CE1-CD1 3.52Å; H29-Y262 AromaticContact CE1-CE1 3.66Å; H29-Y262 AromaticContact CG-CE1 3.63Å; H29-Y262 AromaticContact ND1-CD1 3.69Å; H29-Y262 AromaticContact ND1-CE1 3.39Å; H29-Y262 WeakPolarHBondContact ND1-CE1 3.46Å; H29-Y262 AromaticContact NE2-CD1 4Å
30W94.1Very high90.6Very high6 Ų629.1 Ų29.12%0.02315%0.152CC..Hα-helixtrans-54.7-43.7177.5-174.897.6000111.1L10 V26 V27 R34 C51 V64 D66 Y225L10-W30 HydrophobicContact CD2-CZ3 4.21Å; V26-W30 PolarHBondContact O-N 2.81Å; V26-W30 VanDerWaalsContact O-N 3.08Å; V27-W30 WeakPolarHBondContact O-CB 3.27Å; V27-W30 PolarHBondContact O-N 3.17Å; W30-R34 VanDerWaalsContact CG-NH1 3.26Å; W30-R34 VanDerWaalsContact CZ3-CD 3.49Å; W30-R34 PolarHBondContact O-N 3.37Å; W30-R34 PolarHBondContact O-NH1 3.41Å; W30-C51 HydrophobicContact CH2-CB 3.67Å; W30-C51 HydrophobicContact CZ3-CB 3.78Å; W30-V64 HydrophobicContact CD2-CB 3.95Å; W30-V64 HydrophobicContact CD2-CG1 3.74Å; W30-V64 HydrophobicContact CD2-CG2 4.19Å; W30-V64 HydrophobicContact CE3-CB 4.47Å; W30-V64 HydrophobicContact CE3-CG1 3.81Å; W30-V64 HydrophobicContact CG-CB 4.26Å; W30-V64 HydrophobicContact CG-CG1 4.25Å; W30-V64 HydrophobicContact CG-CG2 3.96Å; W30-V64 HydrophobicContact CH2-CG1 4.4Å; W30-V64 HydrophobicContact CZ2-CB 4.12Å; W30-V64 HydrophobicContact CZ2-CG1 4.29Å; W30-V64 HydrophobicContact CZ3-CG1 4.15Å; W30-D66 PolarHBondContact NE1-OD1 3.34Å; W30-D66 PolarHBondContact NE1-OD2 3.19Å; W30-Y225 AromaticContact CD1-CE1 3.85Å
31L94.6Very high89Confident0 Ų027.5 Ų27.50%014%0.144CC..Hα-helixtrans-68.3-41.9174.9-66166.7000111.7L10 A13 M14 T17 V27 H28 H29 L33 R34 L35 L62L10-L31 HydrophobicContact CD2-CD2 3.71Å; A13-L31 HydrophobicContact CB-CD1 4.01Å; A13-L31 HydrophobicContact CB-CD2 4.01Å; M14-L31 VanDerWaalsContact CE-C 3.45Å; M14-L31 HydrophobicContact CE-CB 3.57Å; M14-L31 HydrophobicContact SD-CB 4.12Å; T17-L31 HydrophobicContact CG2-CD1 3.64Å; V27-L31 HydrophobicContact CG1-CD1 4.28Å; V27-L31 WeakPolarHBondContact O-CG 3.4Å; V27-L31 PolarHBondContact O-N 3.34Å; H28-L31 PolarHBondContact O-N 3.2Å; H29-L31 PolarHBondContact O-N 3.12Å; L31-L33 PolarHBondContact O-N 3.24Å; L31-R34 PolarHBondContact O-N 3.07Å; L31-L35 WeakPolarHBondContact O-CB 3.21Å; L31-L35 PolarHBondContact O-N 2.94Å; L31-L62 HydrophobicContact CD1-CD1 4.15Å
32H92.9Very high87.2Confident15 Ų1528 Ų287%0.06915%0.15CC..Hα-helixtrans-61.8-43.9-178.4-175.1-73.1000111.6M14 H28 H29 R34 L35 Y36 G258M14-H32 HydrophobicContact CE-CB 3.79Å; H28-H32 WeakPolarHBondContact O-CB 3.18Å; H28-H32 PolarHBondContact O-N 3Å; H29-H32 PolarHBondContact O-N 3.18Å; H32-R34 VanDerWaalsContact C-N 3.28Å; H32-R34 PolarHBondContact O-N 3.45Å; H32-L35 PolarHBondContact O-N 2.94Å; H32-Y36 AromaticContact CD2-CD2 3.58Å; H32-Y36 AromaticContact CG-CD2 3.92Å; H32-Y36 AromaticContact NE2-CD2 3.71Å; H32-Y36 PolarHBondContact O-N 3.31Å; H32-G258 PolarHBondContact NE2-O 3.36Å
33L89.1Confident85.4Confident0 Ų027.6 Ų27.60%015%0.146CC..Hα-helixtrans-60.5-41.2178.5-69.1175.5000111.1H29 L31 T37 P38 L40 F202 E224 I259H29-L33 WeakPolarHBondContact O-CG 3.22Å; H29-L33 PolarHBondContact O-N 3.3Å; L31-L33 PolarHBondContact O-N 3.24Å; L33-T37 WeakPolarHBondContact CA-OG1 3.25Å; L33-T37 WeakPolarHBondContact CD2-OG1 3.42Å; L33-T37 CarbonylContact O-C 3.48Å; L33-T37 WeakPolarHBondContact O-CA 3.44Å; L33-T37 PolarHBondContact O-N 2.89Å; L33-P38 WeakPolarHBondContact O-CA 3.16Å; L33-L40 HydrophobicContact CD2-CB 4.49Å; L33-L40 HydrophobicContact CD2-CD1 4.33Å; L33-F202 HydrophobicContact CD1-CE1 4.38Å; L33-F202 HydrophobicContact CD1-CZ 3.94Å; L33-F202 HydrophobicContact CD2-CE1 3.8Å; L33-F202 HydrophobicContact CD2-CZ 3.74Å; L33-E224 WeakPolarHBondContact CD1-O 3.26Å; L33-I259 HydrophobicContact CD2-CD1 4.43Å
34R89.4Confident83.5Confident39 Ų3933.7 Ų33.715%0.14717%0.167CC..Hα-helixtrans-77-32.3-178.8-73.2162.8-177.276.31.2113.7L10 W30 L31 H32 S49 D66L10-R34 HydrophobicContact CD1-CB 4.19Å; W30-R34 VanDerWaalsContact CG-NH1 3.26Å; W30-R34 VanDerWaalsContact CZ3-CD 3.49Å; W30-R34 PolarHBondContact O-N 3.37Å; W30-R34 PolarHBondContact O-NH1 3.41Å; L31-R34 PolarHBondContact O-N 3.07Å; H32-R34 VanDerWaalsContact C-N 3.28Å; H32-R34 PolarHBondContact O-N 3.45Å; R34-S49 PolarHBondContact NE-OG 3.19Å; R34-S49 PolarHBondContact NH2-OG 3.47Å; R34-D66 IonicContact CZ-OD1 3.64Å; R34-D66 IonicContact CZ-OD2 3.91Å; R34-D66 IonicContact NH2-OD1 2.65Å; R34-D66 PolarHBondContact NH2-OD1 3.44Å; R34-D66 IonicContact NH2-OD2 2.94Å; R34-D66 PolarHBondContact NH2-OD2 3.39Å
35L90Very high81.7Confident42 Ų4237.6 Ų37.622%0.2219%0.188CC..Hα-helixtrans-80.4-46.8178.8-80.4168.7000113.3L10 E11 M14 L31 H32L10-L35 HydrophobicContact CB-CD1 4.05Å; L10-L35 HydrophobicContact CB-CD2 3.69Å; L10-L35 HydrophobicContact CB-CG 3.84Å; L10-L35 HydrophobicContact CD1-CD2 4.45Å; L10-L35 HydrophobicContact CD1-CG 4.46Å; E11-L35 HydrophobicContact CG-CD1 4.38Å; E11-L35 HydrophobicContact CG-CD2 3.87Å; M14-L35 HydrophobicContact CB-CD1 3.87Å; M14-L35 HydrophobicContact CE-CD1 3.79Å; M14-L35 HydrophobicContact CG-CD1 4.26Å; L31-L35 WeakPolarHBondContact O-CB 3.21Å; L31-L35 PolarHBondContact O-N 2.94Å; H32-L35 PolarHBondContact O-N 2.94Å
36Y88.8Confident79.9Confident127 Ų12741.7 Ų41.750%0.49822%0.217SC..Hα-helixtrans-116-19.8-163.9-55.4-58.2000113.9M14 H32 P38M14-Y36 HydrophobicContact CE-CE2 4.01Å; H32-Y36 AromaticContact CD2-CD2 3.58Å; H32-Y36 AromaticContact CG-CD2 3.92Å; H32-Y36 AromaticContact NE2-CD2 3.71Å; H32-Y36 PolarHBondContact O-N 3.31Å; Y36-P38 VanDerWaalsContact C-CD 3.49Å
37T81.7Confident78.8Confident18 Ų1846.6 Ų46.611%0.1124%0.243CC..  trans-138.748.7-176.546.60000112.7L33 S39 L40L33-T37 WeakPolarHBondContact CA-OG1 3.25Å; L33-T37 WeakPolarHBondContact CD2-OG1 3.42Å; L33-T37 CarbonylContact O-C 3.48Å; L33-T37 WeakPolarHBondContact O-CA 3.44Å; L33-T37 PolarHBondContact O-N 2.89Å; T37-S39 PolarHBondContact O-N 3.48Å; T37-L40 HydrophobicContact CG2-CD1 3.9Å; T37-L40 WeakPolarHBondContact O-CB 3.5Å; T37-L40 PolarHBondContact O-N 3.45Å
38P73.1Confident78.1Confident76 Ų7648.8 Ų48.849%0.49425%0.254SS..THydrogen-bonded Turntrans-62.5-21.9-172.526-35.7000113.1L33 Y36 L40L33-P38 WeakPolarHBondContact O-CA 3.16Å; Y36-P38 VanDerWaalsContact C-CD 3.49Å; P38-L40 PolarHBondContact O-N 3.44Å
39S74.6Confident77.9Confident87 Ų8749.6 Ų49.661%0.60826%0.26SS*.THydrogen-bonded Turntrans-67.7-20.2174.856.70000114.2T37T37-S39 PolarHBondContact O-N 3.48Å
40L70.1Confident77.8Confident21 Ų2151.3 Ų51.311%0.1127%0.269CS..THydrogen-bonded Turntrans-83.1-36.1178.9-54.6178.3000111.5L33 T37 P38 R201 F202 M257 I259L33-L40 HydrophobicContact CD2-CB 4.49Å; L33-L40 HydrophobicContact CD2-CD1 4.33Å; T37-L40 HydrophobicContact CG2-CD1 3.9Å; T37-L40 WeakPolarHBondContact O-CB 3.5Å; T37-L40 PolarHBondContact O-N 3.45Å; P38-L40 PolarHBondContact O-N 3.44Å; L40-R201 WeakPolarHBondContact CD2-O 3.1Å; L40-R201 PolarHBondContact O-NH1 2.94Å; L40-F202 HydrophobicContact CB-CD2 4.34Å; L40-F202 HydrophobicContact CB-CE1 4.2Å; L40-F202 HydrophobicContact CB-CE2 3.72Å; L40-F202 HydrophobicContact CB-CZ 3.64Å; L40-F202 HydrophobicContact CD1-CE1 4.3Å; L40-F202 WeakPolarHBondContact O-CE2 3.27Å; L40-M257 HydrophobicContact CD1-CE 3.34Å; L40-M257 HydrophobicContact CD2-CE 4.3Å; L40-M257 HydrophobicContact CG-CE 4.41Å; L40-I259 HydrophobicContact CD1-CD1 4.38Å
41S62.8Low77.9Confident1 Ų151.2 Ų51.21%0.00727%0.269CS..  trans-56.1138.7178.61790000111.9I43S41-I43 PolarHBondContact OG-N 3.22Å; S41-I43 PolarHBondContact OG-O 3.29Å
42S58.8Low78.1Confident41 Ų4151.4 Ų51.429%0.28727%0.27SS..SBendtrans-74.1-29.6172.151.80000109.7R44 R201 E224S42-R44 PolarHBondContact O-N 3.26Å; S42-R201 VanDerWaalsContact CB-CZ 3.44Å; S42-E224 VanDerWaalsContact CB-OE1 3.3Å; S42-E224 WeakPolarHBondContact CB-OE1 3.45Å; S42-E224 PolarHBondContact N-OE1 2.89Å; S42-E224 PolarHBondContact N-OE2 3.26Å; S42-E224 PolarHBondContact OG-OE1 2.99Å; S42-E224 PolarHBondContact OG-OE2 3.47Å
43I59.7Low78.4Confident15 Ų1550.7 Ų50.78%0.07727%0.267CS..  trans-77.795.1175.6-63169.5000107.8S41 D45 L48 S49 D66 L68S41-I43 PolarHBondContact OG-N 3.22Å; S41-I43 PolarHBondContact OG-O 3.29Å; I43-D45 WeakPolarHBondContact CG2-O 3.3Å; I43-L48 HydrophobicContact CB-CB 4.41Å; I43-L48 HydrophobicContact CD1-CB 4.48Å; I43-L48 HydrophobicContact CG1-CB 4.13Å; I43-L48 HydrophobicContact CG2-CB 3.59Å; I43-S49 VanDerWaalsContact CD1-OG 3.25Å; I43-S49 WeakPolarHBondContact CD1-OG 3.5Å; I43-S49 WeakPolarHBondContact CG2-OG 3.48Å; I43-D66 HydrophobicContact CD1-CB 3.5Å; I43-D66 VanDerWaalsContact CD1-CB 3.5Å; I43-D66 WeakPolarHBondContact CD1-OD1 3.2Å; I43-L68 HydrophobicContact CD1-CD2 3.73Å; I43-L68 HydrophobicContact CD1-CG 4.34Å; I43-L68 HydrophobicContact CG1-CD2 3.82Å
44R55.4Low78.8Confident201 Ų20151.4 Ų51.476%0.75827%0.271SS*.  trans-92-19.9171.9-62.9-172.9-179.8-150.3-1.1112.6S42S42-R44 PolarHBondContact O-N 3.26Å
45D59.6Low79.2Confident83 Ų8353.9 Ų53.944%0.44428%0.28SS..SBendtrans-96.4124.6179.4-159.5-21.6000109.1I43 D47 L48I43-D45 WeakPolarHBondContact CG2-O 3.3Å; D45-D47 PolarHBondContact O-N 2.84Å; D45-D47 PolarHBondContact OD1-N 2.53Å; D45-L48 HydrophobicContact CB-CD1 4.17Å; D45-L48 HydrophobicContact CB-CG 4.28Å; D45-L48 PolarHBondContact O-N 3.02Å; D45-L48 VanDerWaalsContact O-N 3.11Å
46S60.2Low79.5Confident88 Ų8855 Ų5562%0.61528%0.281SS*.G310 helixtrans-56.1-25.717747.50000111.9L48 S49S46-L48 PolarHBondContact O-N 3.24Å; S46-L48 VanDerWaalsContact O-N 3.17Å; S46-S49 PolarHBondContact O-N 3.17Å; S46-S49 VanDerWaalsContact O-O 3.06Å
47D71.7Confident79.8Confident113 Ų11352.4 Ų52.460%0.60428%0.28SS*.G310 helixtrans-74.1-4.1-176.8-64.71.3000113.6D45 R75D45-D47 PolarHBondContact O-N 2.84Å; D45-D47 PolarHBondContact OD1-N 2.53Å; D47-R75 PolarHBondContact O-NH2 3.46Å; D47-R75 VanDerWaalsContact O-NH2 3.17Å
48L83.5Confident80.5Confident46 Ų4659.1 Ų59.124%0.24131%0.31CS..G310 helixtrans-104.7-4.8176.9-62.5173000113.3I43 D45 S46 D66 L67I43-L48 HydrophobicContact CB-CB 4.41Å; I43-L48 HydrophobicContact CD1-CB 4.48Å; I43-L48 HydrophobicContact CG1-CB 4.13Å; I43-L48 HydrophobicContact CG2-CB 3.59Å; D45-L48 HydrophobicContact CB-CD1 4.17Å; D45-L48 HydrophobicContact CB-CG 4.28Å; D45-L48 PolarHBondContact O-N 3.02Å; D45-L48 VanDerWaalsContact O-N 3.11Å; S46-L48 PolarHBondContact O-N 3.24Å; S46-L48 VanDerWaalsContact O-N 3.17Å; L48-D66 WeakPolarHBondContact O-CA 3.22Å; L48-L67 HydrophobicContact CD2-CB 4.03Å; L48-L67 PolarHBondContact O-N 3Å
49S90.8Very high81.7Confident21 Ų2156.1 Ų56.115%0.14729%0.291CS..EExtended strand (participates in β ladder)trans-134.9122.6-176.6-86.70000111.4R34 I43 S46 I65 D66R34-S49 PolarHBondContact NE-OG 3.19Å; R34-S49 PolarHBondContact NH2-OG 3.47Å; I43-S49 VanDerWaalsContact CD1-OG 3.25Å; I43-S49 WeakPolarHBondContact CD1-OG 3.5Å; I43-S49 WeakPolarHBondContact CG2-OG 3.48Å; S46-S49 PolarHBondContact O-N 3.17Å; S46-S49 VanDerWaalsContact O-O 3.06Å; S49-I65 CarbonylContact C-O 3.57Å; S49-I65 WeakPolarHBondContact CA-O 3.21Å; S49-D66 WeakPolarHBondContact CB-OD1 3.43Å; S49-D66 PolarHBondContact OG-OD1 2.89Å
50I93.7Very high82.8Confident38 Ų3852.4 Ų52.420%0.19527%0.265CS..EExtended strand (participates in β ladder)trans-125138.6179.5-51.2170.4000109.2E4 Y52 V64 I65E4-I50 HydrophobicContact CG-CG2 3.99Å; I50-Y52 HydrophobicContact CB-CE2 4.34Å; I50-Y52 HydrophobicContact CG2-CD2 4.02Å; I50-Y52 HydrophobicContact CG2-CE1 4.12Å; I50-Y52 HydrophobicContact CG2-CE2 3.38Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.43Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.39Å; I50-V64 CarbonylContact O-C 2.89Å; I50-V64 VanDerWaalsContact O-CA 3.26Å; I50-V64 WeakPolarHBondContact O-CA 3.19Å; I50-I65 HydrophobicContact CB-CB 4.43Å; I50-I65 PolarHBondContact N-O 2.95Å; I50-I65 PolarHBondContact O-N 2.65Å
51C96.5Very high84.1Confident4 Ų451.4 Ų51.43%0.02726%0.259CS..EExtended strand (participates in β ladder)trans-123.4124.5171.3179.90000109.2V5 W30 V64V5-C51 HydrophobicContact CB-CB 4.07Å; V5-C51 HydrophobicContact CG2-CB 4.47Å; V5-C51 PolarHBondContact N-O 3.17Å; W30-C51 HydrophobicContact CH2-CB 3.67Å; W30-C51 HydrophobicContact CZ3-CB 3.78Å; C51-V64 HydrophobicContact CB-CG1 4.08Å
52Y98.2Very high85.8Confident3 Ų351.3 Ų51.31%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-106.4141.1173.8-71-65.6000111.1L2 H3 E4 I50 L62 F63 I65 I99 R102 H103L2-Y52 HydrophobicContact CD1-CD1 3.81Å; L2-Y52 HydrophobicContact CD1-CG 3.89Å; L2-Y52 HydrophobicContact CD2-CD1 3.88Å; L2-Y52 HydrophobicContact CD2-CE1 4.02Å; L2-Y52 HydrophobicContact CD2-CG 4.4Å; L2-Y52 HydrophobicContact CG-CD1 3.69Å; L2-Y52 HydrophobicContact CG-CE1 4.25Å; L2-Y52 HydrophobicContact CG-CG 4.27Å; H3-Y52 CarbonylContact O-C 3.53Å; H3-Y52 VanDerWaalsContact O-CA 3.31Å; H3-Y52 WeakPolarHBondContact O-CA 3.49Å; E4-Y52 HydrophobicContact CB-CD1 4.19Å; E4-Y52 HydrophobicContact CB-CE1 3.83Å; E4-Y52 HydrophobicContact CG-CD1 4.41Å; E4-Y52 HydrophobicContact CG-CE1 3.87Å; E4-Y52 WeakPolarHBondContact OE2-CE1 3.46Å; E4-Y52 PolarHBondContact OE2-OH 3.4Å; I50-Y52 HydrophobicContact CB-CE2 4.34Å; I50-Y52 HydrophobicContact CG2-CD2 4.02Å; I50-Y52 HydrophobicContact CG2-CE1 4.12Å; I50-Y52 HydrophobicContact CG2-CE2 3.38Å; I50-Y52 VanDerWaalsContact CG2-CZ 3.43Å; I50-Y52 WeakPolarHBondContact CG2-OH 3.39Å; Y52-L62 CarbonylContact O-C 3.55Å; Y52-L62 VanDerWaalsContact O-CA 3.24Å; Y52-L62 WeakPolarHBondContact O-CA 3.39Å; Y52-F63 PolarHBondContact N-O 2.84Å; Y52-F63 PolarHBondContact O-N 3.23Å; Y52-I65 HydrophobicContact CD2-CD1 4.5Å; Y52-I65 HydrophobicContact CE2-CD1 4.19Å; Y52-I99 HydrophobicContact CD2-CG1 4.45Å; Y52-R102 PolarHBondContact OH-NE 3.22Å; Y52-R102 PolarHBondContact OH-NH2 3.42Å; Y52-H103 AromaticContact CE2-CE1 3.93Å; Y52-H103 AromaticContact CE2-NE2 3.12Å; Y52-H103 WeakPolarHBondContact CE2-NE2 3.45Å; Y52-H103 AromaticContact CZ-NE2 3.58Å; Y52-H103 PolarHBondContact OH-NE2 3.45Å
53A98.6Very high87.7Confident0 Ų049.4 Ų49.40%025%0.246CC..EExtended strand (participates in β ladder)trans-110.5144.7166.800000110.9H3 V5 R55 W56 P59 A61 L62H3-A53 HydrophobicContact CB-CB 4.37Å; H3-A53 PolarHBondContact N-O 3.32Å; H3-A53 PolarHBondContact O-N 2.9Å; V5-A53 HydrophobicContact CG2-CB 3.83Å; A53-R55 VanDerWaalsContact C-N 3.26Å; A53-R55 WeakPolarHBondContact CB-O 3.19Å; A53-R55 PolarHBondContact O-N 2.88Å; A53-W56 HydrophobicContact CB-CE3 4.12Å; A53-P59 HydrophobicContact CB-CB 3.88Å; A53-A61 WeakPolarHBondContact CA-O 3.36Å; A53-L62 HydrophobicContact CB-CD2 3.91Å
54N98Very high89.4Confident15 Ų1548.7 Ų48.78%0.0824%0.242CC..SBendtrans-67.8-28.4176.267.6-35.5000113.2S60 A61 E87 F95N54-S60 PolarHBondContact ND2-OG 3.12Å; N54-S60 PolarHBondContact OD1-N 2.77Å; N54-S60 VanDerWaalsContact OD1-N 3.11Å; N54-S60 PolarHBondContact OD1-OG 2.71Å; N54-A61 HydrophobicContact CB-CB 4.13Å; N54-A61 PolarHBondContact N-O 2.95Å; N54-A61 VanDerWaalsContact N-O 3.17Å; N54-A61 PolarHBondContact OD1-N 3.01Å; N54-A61 PolarHBondContact OD1-O 2.91Å; N54-E87 PolarHBondContact ND2-OE1 3.47Å; N54-F95 HydrophobicContact CB-CB 3.97Å; N54-F95 HydrophobicContact CB-CD1 3.8Å; N54-F95 HydrophobicContact CB-CD2 3.77Å; N54-F95 HydrophobicContact CB-CE1 4.16Å; N54-F95 HydrophobicContact CB-CE2 4.12Å; N54-F95 HydrophobicContact CB-CG 3.58Å; N54-F95 HydrophobicContact CB-CZ 4.31Å
55R97Very high91.3Very high92 Ų9239.2 Ų39.235%0.34721%0.206SC..SBendtrans-153.7161.6177.271.4-178.5100.2-112.216.4109.9A53 E58 P59 S60 E87A53-R55 VanDerWaalsContact C-N 3.26Å; A53-R55 WeakPolarHBondContact CB-O 3.19Å; A53-R55 PolarHBondContact O-N 2.88Å; R55-E58 WeakPolarHBondContact CD-O 3.43Å; R55-E58 WeakPolarHBondContact CG-O 3.5Å; R55-P59 WeakPolarHBondContact O-CA 3.29Å; R55-S60 PolarHBondContact NE-OG 2.94Å; R55-S60 PolarHBondContact NH2-OG 3.03Å; R55-E87 IonicContact CZ-OE1 3.61Å; R55-E87 IonicContact CZ-OE2 2.74Å; R55-E87 IonicContact NE-OE2 3.96Å; R55-E87 IonicContact NH2-OE1 2.58Å; R55-E87 PolarHBondContact NH2-OE1 3.22Å; R55-E87 IonicContact NH2-OE2 3.6Å; R55-E87 PolarHBondContact NH2-OE2 2.84Å
56W97.2Very high92.9Very high64 Ų6435.3 Ų35.324%0.24219%0.185CC..SBendtrans-144.1145.5176.9-160.5-108.3000109.1H3 V5 E9 Q12 A53 P59H3-W56 HydrophobicContact CB-CB 3.88Å; H3-W56 AromaticContact CD2-CD2 3.61Å; H3-W56 AromaticContact CD2-CE3 3.79Å; H3-W56 AromaticContact CD2-CG 3.6Å; H3-W56 AromaticContact CE1-CD1 3.78Å; H3-W56 AromaticContact CE1-CG 3.89Å; H3-W56 AromaticContact CG-CG 3.81Å; H3-W56 AromaticContact NE2-CD1 3.75Å; H3-W56 AromaticContact NE2-CD2 3.72Å; H3-W56 AromaticContact NE2-CE2 4Å; H3-W56 AromaticContact NE2-CG 3.65Å; H3-W56 AromaticContact NE2-NE1 3.9Å; V5-W56 HydrophobicContact CG1-CH2 4.34Å; V5-W56 HydrophobicContact CG1-CZ3 4.39Å; V5-W56 HydrophobicContact CG2-CZ3 4.11Å; E9-W56 HydrophobicContact CB-CH2 3.66Å; E9-W56 HydrophobicContact CB-CZ2 3.46Å; E9-W56 VanDerWaalsContact CB-CZ2 3.46Å; E9-W56 HydrophobicContact CG-CH2 4.32Å; E9-W56 HydrophobicContact CG-CZ2 3.6Å; E9-W56 PolarHBondContact OE1-NE1 2.8Å; Q12-W56 HydrophobicContact CB-CH2 3.8Å; Q12-W56 HydrophobicContact CB-CZ2 4.12Å; Q12-W56 HydrophobicContact CG-CH2 3.72Å; Q12-W56 HydrophobicContact CG-CZ2 3.99Å; A53-W56 HydrophobicContact CB-CE3 4.12Å; W56-P59 HydrophobicContact CE3-CB 4.4Å; W56-P59 HydrophobicContact CE3-CG 4.18Å; W56-P59 HydrophobicContact CZ3-CB 4.41Å; W56-P59 HydrophobicContact CZ3-CG 3.84Å
57P95.6Very high94.3Very high74 Ų7432.8 Ų32.848%0.48117%0.165SC..SBendcis-85.5-5.17.234.9-36.5000116.1Q12 P59Q12-P57 PolarHBondContact NE2-O 3.16Å; P57-P59 VanDerWaalsContact C-CD 3.42Å; P57-P59 WeakPolarHBondContact O-CD 3.31Å
58E95.8Very high94.9Very high158 Ų15828.2 Ų28.274%0.73814%0.14SC*.SBendtrans-107.576-177.8-65.5-178.3161.100110.4R55R55-E58 WeakPolarHBondContact CD-O 3.43Å; R55-E58 WeakPolarHBondContact CG-O 3.5Å
59P97.6Very high94.7Very high14 Ų1429.8 Ų29.89%0.09115%0.153CC..  trans-63.1148.4-179.330-37.3000110.6L16 A53 R55 W56 P57 L62L16-P59 HydrophobicContact CB-CG 4.47Å; L16-P59 WeakPolarHBondContact CD1-O 3.42Å; L16-P59 HydrophobicContact CD2-CB 3.98Å; L16-P59 HydrophobicContact CD2-CG 3.97Å; L16-P59 WeakPolarHBondContact CD2-O 3.45Å; A53-P59 HydrophobicContact CB-CB 3.88Å; R55-P59 WeakPolarHBondContact O-CA 3.29Å; W56-P59 HydrophobicContact CE3-CB 4.4Å; W56-P59 HydrophobicContact CE3-CG 4.18Å; W56-P59 HydrophobicContact CZ3-CB 4.41Å; W56-P59 HydrophobicContact CZ3-CG 3.84Å; P57-P59 VanDerWaalsContact C-CD 3.42Å; P57-P59 WeakPolarHBondContact O-CD 3.31Å; P59-L62 HydrophobicContact CB-CD2 4.19Å
60S97.5Very high94.2Very high8 Ų830.2 Ų30.26%0.05615%0.153CC..SBendtrans-124.2-13.6169.851.30000112.4N54 R55 A83 S84 E87N54-S60 PolarHBondContact ND2-OG 3.12Å; N54-S60 PolarHBondContact OD1-N 2.77Å; N54-S60 VanDerWaalsContact OD1-N 3.11Å; N54-S60 PolarHBondContact OD1-OG 2.71Å; R55-S60 PolarHBondContact NE-OG 2.94Å; R55-S60 PolarHBondContact NH2-OG 3.03Å; S60-A83 CarbonylContact O-C 3.56Å; S60-A83 WeakPolarHBondContact O-CA 3.49Å; S60-S84 WeakPolarHBondContact CB-OG 3.27Å; S60-S84 PolarHBondContact O-N 3.12Å; S60-S84 PolarHBondContact O-OG 3.29Å; S60-E87 VanDerWaalsContact CB-OE2 3.26Å; S60-E87 WeakPolarHBondContact CB-OE2 3.24Å; S60-E87 PolarHBondContact OG-OE2 3.44Å
61A98.4Very high93.5Very high0 Ų031.8 Ų31.80%017%0.167CC..EExtended strand (participates in β ladder)trans-137.2144170.300000111.3A53 N54 F81 F82 A83 F95A53-A61 WeakPolarHBondContact CA-O 3.36Å; N54-A61 HydrophobicContact CB-CB 4.13Å; N54-A61 PolarHBondContact N-O 2.95Å; N54-A61 VanDerWaalsContact N-O 3.17Å; N54-A61 PolarHBondContact OD1-N 3.01Å; N54-A61 PolarHBondContact OD1-O 2.91Å; A61-F81 HydrophobicContact CB-CE2 4.3Å; A61-F82 CarbonylContact C-O 3.59Å; A61-F82 VanDerWaalsContact CA-O 3.22Å; A61-F82 WeakPolarHBondContact CA-O 3.4Å; A61-A83 HydrophobicContact CB-CB 3.66Å; A61-F95 HydrophobicContact CB-CD1 3.82Å; A61-F95 HydrophobicContact CB-CE1 3.71Å
62L98.6Very high92.6Very high0 Ų033.7 Ų33.70%019%0.187CC..EExtended strand (participates in β ladder)trans-128.2138.1178.3-62.6176.5000110.2V5 A13 L16 T17 V27 L31 Y52 A53 P59 F81 F82V5-L62 HydrophobicContact CG2-CD2 4.41Å; A13-L62 HydrophobicContact CB-CD1 4.03Å; A13-L62 HydrophobicContact CB-CD2 4.4Å; L16-L62 HydrophobicContact CD2-CD1 4.07Å; L16-L62 HydrophobicContact CD2-CG 3.97Å; T17-L62 HydrophobicContact CG2-CD1 3.75Å; V27-L62 HydrophobicContact CG1-CB 4Å; V27-L62 HydrophobicContact CG1-CD1 3.9Å; L31-L62 HydrophobicContact CD1-CD1 4.15Å; Y52-L62 CarbonylContact O-C 3.55Å; Y52-L62 VanDerWaalsContact O-CA 3.24Å; Y52-L62 WeakPolarHBondContact O-CA 3.39Å; A53-L62 HydrophobicContact CB-CD2 3.91Å; P59-L62 HydrophobicContact CB-CD2 4.19Å; L62-F81 WeakPolarHBondContact O-CA 3.48Å; L62-F81 VanDerWaalsContact O-CD2 3.27Å; L62-F81 WeakPolarHBondContact O-CD2 3.35Å; L62-F82 PolarHBondContact N-O 3.5Å; L62-F82 PolarHBondContact O-N 3.06Å
63F98.2Very high91.8Very high0 Ų035.5 Ų35.50%020%0.197CC..EExtended strand (participates in β ladder)trans-130.1118.8173.2-168.9-80.3000108.5Y52 I65 V79 F81 F95 L96 I99 F124 F128Y52-F63 PolarHBondContact N-O 2.84Å; Y52-F63 PolarHBondContact O-N 3.23Å; F63-I65 HydrophobicContact CD1-CD1 4.31Å; F63-I65 HydrophobicContact CD1-CG1 3.84Å; F63-I65 HydrophobicContact CE1-CD1 4.02Å; F63-I65 HydrophobicContact CE1-CG1 3.64Å; F63-V79 HydrophobicContact CE1-CB 3.81Å; F63-V79 HydrophobicContact CE1-CG1 3.72Å; F63-V79 HydrophobicContact CZ-CB 3.68Å; F63-V79 HydrophobicContact CZ-CG1 3.83Å; F63-V79 HydrophobicContact CZ-CG2 3.91Å; F63-F81 HydrophobicContact CB-CD2 4.35Å; F63-F81 HydrophobicContact CD2-CB 4.22Å; F63-F81 AromaticContact CD2-CD2 3.87Å; F63-F81 HydrophobicContact CD2-CD2 3.87Å; F63-F81 HydrophobicContact CD2-CG 4.43Å; F63-F95 HydrophobicContact CB-CE1 4.08Å; F63-F95 HydrophobicContact CB-CZ 3.84Å; F63-L96 HydrophobicContact CD2-CD2 3.73Å; F63-L96 HydrophobicContact CE2-CD2 3.98Å; F63-I99 HydrophobicContact CB-CD1 3.4Å; F63-I99 VanDerWaalsContact CB-CD1 3.4Å; F63-I99 HydrophobicContact CD1-CD1 3.97Å; F63-I99 HydrophobicContact CD1-CG2 4.04Å; F63-I99 HydrophobicContact CD2-CD1 3.91Å; F63-I99 HydrophobicContact CE1-CG2 3.88Å; F63-I99 HydrophobicContact CG-CD1 3.52Å; F63-I99 HydrophobicContact CZ-CG2 4.28Å; F63-F124 HydrophobicContact CD2-CZ 4.39Å; F63-F124 HydrophobicContact CE2-CE1 4.05Å; F63-F124 AromaticContact CE2-CZ 3.87Å; F63-F124 HydrophobicContact CE2-CZ 3.87Å; F63-F128 HydrophobicContact CE2-CE2 4.25Å; F63-F128 AromaticContact CE2-CZ 3.86Å; F63-F128 HydrophobicContact CE2-CZ 3.86Å; F63-F128 HydrophobicContact CZ-CZ 4.04Å
64V96.5Very high91.1Very high0 Ų041.4 Ų41.40%023%0.228CC..EExtended strand (participates in β ladder)trans-107.4145.6-179.5-54.80000110.3V27 W30 I50 C51 V79 A80 Y225V27-V64 HydrophobicContact CG1-CG1 4.08Å; W30-V64 HydrophobicContact CD2-CB 3.95Å; W30-V64 HydrophobicContact CD2-CG1 3.74Å; W30-V64 HydrophobicContact CD2-CG2 4.19Å; W30-V64 HydrophobicContact CE3-CB 4.47Å; W30-V64 HydrophobicContact CE3-CG1 3.81Å; W30-V64 HydrophobicContact CG-CB 4.26Å; W30-V64 HydrophobicContact CG-CG1 4.25Å; W30-V64 HydrophobicContact CG-CG2 3.96Å; W30-V64 HydrophobicContact CH2-CG1 4.4Å; W30-V64 HydrophobicContact CZ2-CB 4.12Å; W30-V64 HydrophobicContact CZ2-CG1 4.29Å; W30-V64 HydrophobicContact CZ3-CG1 4.15Å; I50-V64 CarbonylContact O-C 2.89Å; I50-V64 VanDerWaalsContact O-CA 3.26Å; I50-V64 WeakPolarHBondContact O-CA 3.19Å; C51-V64 HydrophobicContact CB-CG1 4.08Å; V64-V79 WeakPolarHBondContact O-CA 3.45Å; V64-V79 WeakPolarHBondContact O-CB 3.46Å; V64-A80 HydrophobicContact CG2-CB 3.63Å; V64-A80 WeakPolarHBondContact CG2-O 3.43Å; V64-A80 PolarHBondContact N-O 3.08Å; V64-A80 PolarHBondContact O-N 2.66Å; V64-A80 VanDerWaalsContact O-N 3.17Å; V64-Y225 HydrophobicContact CG2-CE1 4.37Å
65I94.6Very high90.5Very high3 Ų347.1 Ų47.12%0.01525%0.249CC..EExtended strand (participates in β ladder)trans-128.8120.7177.3-53178.3000107.4S49 I50 Y52 F63 L67 P77 Y78 V79 F105S49-I65 CarbonylContact C-O 3.57Å; S49-I65 WeakPolarHBondContact CA-O 3.21Å; I50-I65 HydrophobicContact CB-CB 4.43Å; I50-I65 PolarHBondContact N-O 2.95Å; I50-I65 PolarHBondContact O-N 2.65Å; Y52-I65 HydrophobicContact CD2-CD1 4.5Å; Y52-I65 HydrophobicContact CE2-CD1 4.19Å; F63-I65 HydrophobicContact CD1-CD1 4.31Å; F63-I65 HydrophobicContact CD1-CG1 3.84Å; F63-I65 HydrophobicContact CE1-CD1 4.02Å; F63-I65 HydrophobicContact CE1-CG1 3.64Å; I65-L67 HydrophobicContact CG2-CD2 4.32Å; I65-P77 HydrophobicContact CG2-CB 4.18Å; I65-Y78 CarbonylContact C-O 3.6Å; I65-Y78 WeakPolarHBondContact CA-O 3.28Å; I65-V79 HydrophobicContact CG1-CG1 4.16Å; I65-V79 HydrophobicContact CG2-CG1 4.47Å; I65-F105 HydrophobicContact CD1-CE1 4.5Å; I65-F105 HydrophobicContact CD1-CZ 4.05Å
66D92.2Very high90.1Very high0 Ų043 Ų430%023%0.233CC..EExtended strand (participates in β ladder)trans-111.4130.8169.6-80-14.3000109.1W30 R34 I43 L48 S49 L68 Y78W30-D66 PolarHBondContact NE1-OD1 3.34Å; W30-D66 PolarHBondContact NE1-OD2 3.19Å; R34-D66 IonicContact CZ-OD1 3.64Å; R34-D66 IonicContact CZ-OD2 3.91Å; R34-D66 IonicContact NH2-OD1 2.65Å; R34-D66 PolarHBondContact NH2-OD1 3.44Å; R34-D66 IonicContact NH2-OD2 2.94Å; R34-D66 PolarHBondContact NH2-OD2 3.39Å; I43-D66 HydrophobicContact CD1-CB 3.5Å; I43-D66 VanDerWaalsContact CD1-CB 3.5Å; I43-D66 WeakPolarHBondContact CD1-OD1 3.2Å; L48-D66 WeakPolarHBondContact O-CA 3.22Å; S49-D66 WeakPolarHBondContact CB-OD1 3.43Å; S49-D66 PolarHBondContact OG-OD1 2.89Å; D66-L68 HydrophobicContact CB-CD1 4.14Å; D66-L68 HydrophobicContact CB-CG 4.16Å; D66-Y78 PolarHBondContact N-O 3.23Å; D66-Y78 PolarHBondContact O-N 3.22Å
67L89.7Confident89.9Confident35 Ų3540.9 Ų40.918%0.18323%0.228CC..EExtended strand (participates in β ladder)trans-97.2106.7176.1-62.7176.7000108.8L48 I65 R75 P77L48-L67 HydrophobicContact CD2-CB 4.03Å; L48-L67 PolarHBondContact O-N 3Å; I65-L67 HydrophobicContact CG2-CD2 4.32Å; L67-R75 HydrophobicContact CB-CB 4.23Å; L67-P77 HydrophobicContact CD2-CB 4.22Å; L67-P77 HydrophobicContact CD2-CG 4.14Å
68L84.3Confident89.8Confident18 Ų1838.7 Ų38.79%0.09421%0.21CC..EExtended strand (participates in β ladder)trans-129.9153.7-172.2-60.4168.7000111.3I43 D66 F70 D74 Y76 Y78 E224I43-L68 HydrophobicContact CD1-CD2 3.73Å; I43-L68 HydrophobicContact CD1-CG 4.34Å; I43-L68 HydrophobicContact CG1-CD2 3.82Å; D66-L68 HydrophobicContact CB-CD1 4.14Å; D66-L68 HydrophobicContact CB-CG 4.16Å; L68-F70 PolarHBondContact O-N 2.8Å; L68-D74 CarbonylContact C-O 3.56Å; L68-Y76 PolarHBondContact N-O 2.65Å; L68-Y76 WeakPolarHBondContact O-CA 3.04Å; L68-Y76 VanDerWaalsContact O-CB 3.26Å; L68-Y76 WeakPolarHBondContact O-CB 3.35Å; L68-Y76 PolarHBondContact O-N 3.19Å; L68-Y78 HydrophobicContact CB-CD2 3.75Å; L68-Y78 HydrophobicContact CB-CE2 3.82Å; L68-Y78 HydrophobicContact CD1-CD1 4.32Å; L68-Y78 HydrophobicContact CD1-CD2 3.8Å; L68-Y78 HydrophobicContact CD1-CE2 4.26Å; L68-Y78 HydrophobicContact CD1-CG 3.82Å; L68-Y78 HydrophobicContact CG-CD2 4.18Å; L68-E224 HydrophobicContact CD1-CB 4.33Å; L68-E224 HydrophobicContact CD1-CG 3.66Å; L68-E224 HydrophobicContact CD2-CG 4.07Å
69P80.1Confident89.8Confident78 Ų7831.2 Ų31.251%0.50618%0.175SC..EExtended strand (participates in β ladder)trans-62.1129.4171.9-23.934.2000112.2I73 D74P69-I73 CarbonylContact C-O 3.6Å; P69-I73 VanDerWaalsContact CA-O 3.22Å; P69-I73 WeakPolarHBondContact CA-O 3.48Å; P69-D74 WeakPolarHBondContact CA-O 3.44Å
70F80.1Confident89.7Confident31 Ų3130.5 Ų30.514%0.13617%0.171CC..EExtended strand (participates in β ladder)trans-150.1127.6174.4179.9-111.8000111.7L68 G72 I73 Y76 Y78 L112 F188L68-F70 PolarHBondContact O-N 2.8Å; F70-G72 PolarHBondContact O-N 3.28Å; F70-G72 VanDerWaalsContact O-N 3.12Å; F70-I73 PolarHBondContact N-O 2.85Å; F70-I73 WeakPolarHBondContact O-CB 3.44Å; F70-I73 PolarHBondContact O-N 2.9Å; F70-Y76 HydrophobicContact CB-CD1 3.91Å; F70-Y76 HydrophobicContact CB-CG 3.8Å; F70-Y76 AromaticContact CD1-CD1 3.71Å; F70-Y76 HydrophobicContact CD1-CD1 3.71Å; F70-Y76 HydrophobicContact CD1-CD2 4.1Å; F70-Y76 AromaticContact CD1-CE1 3.73Å; F70-Y76 HydrophobicContact CD1-CE1 3.73Å; F70-Y76 HydrophobicContact CD1-CE2 4.07Å; F70-Y76 AromaticContact CD1-CG 3.9Å; F70-Y76 HydrophobicContact CD1-CG 3.9Å; F70-Y76 AromaticContact CD1-CZ 3.92Å; F70-Y76 HydrophobicContact CE1-CE1 4.2Å; F70-Y76 HydrophobicContact CG-CD1 4.08Å; F70-Y76 HydrophobicContact CG-CE1 4.47Å; F70-Y76 HydrophobicContact CG-CG 4.28Å; F70-Y78 HydrophobicContact CB-CE2 3.86Å; F70-Y78 WeakPolarHBondContact CD2-OH 3.44Å; F70-Y78 HydrophobicContact CG-CE2 4.37Å; F70-Y78 WeakPolarHBondContact CG-OH 3.09Å; F70-L112 HydrophobicContact CE2-CD1 4.22Å; F70-L112 HydrophobicContact CZ-CD1 4.11Å; F70-F188 HydrophobicContact CD2-CE2 4.3Å; F70-F188 HydrophobicContact CD2-CZ 4.45Å
71S79.2Confident89.7Confident70 Ų7030.7 Ų30.749%0.4917%0.17SC..THydrogen-bonded Turntrans49.740.6171.9-166.50000114.5
72G77.2Confident89.7Confident45 Ų4530.9 Ų30.946%0.46417%0.171SC..THydrogen-bonded Turntrans87.9-1.8-179.900000115.3F70F70-G72 PolarHBondContact O-N 3.28Å; F70-G72 VanDerWaalsContact O-N 3.12Å
73I82.6Confident89.7Confident40 Ų4030.9 Ų30.921%0.20517%0.171CC..EExtended strand (participates in β ladder)trans-99.5120.7174.5-59.2166.1000108.3P69 F70 R75 Y76 E109P69-I73 CarbonylContact C-O 3.6Å; P69-I73 VanDerWaalsContact CA-O 3.22Å; P69-I73 WeakPolarHBondContact CA-O 3.48Å; F70-I73 PolarHBondContact N-O 2.85Å; F70-I73 WeakPolarHBondContact O-CB 3.44Å; F70-I73 PolarHBondContact O-N 2.9Å; I73-R75 PolarHBondContact O-N 3.28Å; I73-Y76 HydrophobicContact CB-CD2 4.22Å; I73-Y76 HydrophobicContact CD1-CD2 3.57Å; I73-Y76 HydrophobicContact CD1-CE2 3.92Å; I73-Y76 HydrophobicContact CG1-CD2 4.49Å; I73-Y76 HydrophobicContact CG2-CD2 4.19Å; I73-E109 HydrophobicContact CD1-CB 4.23Å; I73-E109 HydrophobicContact CD1-CG 3.81Å
74D81.9Confident89.7Confident125 Ų12531 Ų3167%0.66817%0.172SC*.EExtended strand (participates in β ladder)trans-68.5-33.3-175.1-71.9-21.4000113.7L68 P69L68-D74 CarbonylContact C-O 3.56Å; P69-D74 WeakPolarHBondContact CA-O 3.44Å
75R86.6Confident89.5Confident135 Ų13535.7 Ų35.751%0.50920%0.197SC..EExtended strand (participates in β ladder)trans-127.362-176.1-66.1-176.275.9177.34.8111.2D47 L67 I73D47-R75 PolarHBondContact O-NH2 3.46Å; D47-R75 VanDerWaalsContact O-NH2 3.17Å; L67-R75 HydrophobicContact CB-CB 4.23Å; I73-R75 PolarHBondContact O-N 3.28Å
76Y88.4Confident89.5Confident6 Ų641.8 Ų41.82%0.02423%0.23CC..EExtended strand (participates in β ladder)trans-82135.3178-166.3-95.5000111.3L68 F70 I73 Y78 E109 L112 Q293L68-Y76 PolarHBondContact N-O 2.65Å; L68-Y76 WeakPolarHBondContact O-CA 3.04Å; L68-Y76 VanDerWaalsContact O-CB 3.26Å; L68-Y76 WeakPolarHBondContact O-CB 3.35Å; L68-Y76 PolarHBondContact O-N 3.19Å; F70-Y76 HydrophobicContact CB-CD1 3.91Å; F70-Y76 HydrophobicContact CB-CG 3.8Å; F70-Y76 AromaticContact CD1-CD1 3.71Å; F70-Y76 HydrophobicContact CD1-CD1 3.71Å; F70-Y76 HydrophobicContact CD1-CD2 4.1Å; F70-Y76 AromaticContact CD1-CE1 3.73Å; F70-Y76 HydrophobicContact CD1-CE1 3.73Å; F70-Y76 HydrophobicContact CD1-CE2 4.07Å; F70-Y76 AromaticContact CD1-CG 3.9Å; F70-Y76 HydrophobicContact CD1-CG 3.9Å; F70-Y76 AromaticContact CD1-CZ 3.92Å; F70-Y76 HydrophobicContact CE1-CE1 4.2Å; F70-Y76 HydrophobicContact CG-CD1 4.08Å; F70-Y76 HydrophobicContact CG-CE1 4.47Å; F70-Y76 HydrophobicContact CG-CG 4.28Å; I73-Y76 HydrophobicContact CB-CD2 4.22Å; I73-Y76 HydrophobicContact CD1-CD2 3.57Å; I73-Y76 HydrophobicContact CD1-CE2 3.92Å; I73-Y76 HydrophobicContact CG1-CD2 4.49Å; I73-Y76 HydrophobicContact CG2-CD2 4.19Å; Y76-Y78 HydrophobicContact CD1-CD2 4.24Å; Y76-Y78 HydrophobicContact CD1-CE2 4.04Å; Y76-Y78 PolarHBondContact O-N 3.28Å; Y76-E109 WeakPolarHBondContact CE2-O 3.29Å; Y76-E109 PolarHBondContact OH-O 3.44Å; Y76-L112 HydrophobicContact CE1-CB 3.87Å; Y76-Q293 PolarHBondContact OH-NE2 2.65Å
77P92.3Very high89.7Confident18 Ų1842.1 Ų42.112%0.11723%0.232CC..EExtended strand (participates in β ladder)trans-74.7119.6-179.6-12.627.8000112.3I65 L67 F105 F111 L112I65-P77 HydrophobicContact CG2-CB 4.18Å; L67-P77 HydrophobicContact CD2-CB 4.22Å; L67-P77 HydrophobicContact CD2-CG 4.14Å; P77-F105 HydrophobicContact CB-CD1 4.48Å; P77-F105 HydrophobicContact CB-CE1 4.14Å; P77-F105 HydrophobicContact CG-CD1 4.27Å; P77-F105 HydrophobicContact CG-CE1 4.33Å; P77-F111 HydrophobicContact CB-CB 3.84Å; P77-F111 HydrophobicContact CG-CB 4.41Å; P77-F111 CarbonylContact O-C 3.59Å; P77-F111 WeakPolarHBondContact O-CA 3.17Å; P77-F111 WeakPolarHBondContact O-CB 3.31Å; P77-L112 PolarHBondContact O-N 3.05Å
78Y93.4Very high90.1Very high29 Ų2943.7 Ų43.711%0.11424%0.244CC..EExtended strand (participates in β ladder)trans-100.4128.4163.1-77.3-110.3000108.4I65 D66 L68 F70 Y76 L112 V114 Y225I65-Y78 CarbonylContact C-O 3.6Å; I65-Y78 WeakPolarHBondContact CA-O 3.28Å; D66-Y78 PolarHBondContact N-O 3.23Å; D66-Y78 PolarHBondContact O-N 3.22Å; L68-Y78 HydrophobicContact CB-CD2 3.75Å; L68-Y78 HydrophobicContact CB-CE2 3.82Å; L68-Y78 HydrophobicContact CD1-CD1 4.32Å; L68-Y78 HydrophobicContact CD1-CD2 3.8Å; L68-Y78 HydrophobicContact CD1-CE2 4.26Å; L68-Y78 HydrophobicContact CD1-CG 3.82Å; L68-Y78 HydrophobicContact CG-CD2 4.18Å; F70-Y78 HydrophobicContact CB-CE2 3.86Å; F70-Y78 WeakPolarHBondContact CD2-OH 3.44Å; F70-Y78 HydrophobicContact CG-CE2 4.37Å; F70-Y78 WeakPolarHBondContact CG-OH 3.09Å; Y76-Y78 HydrophobicContact CD1-CD2 4.24Å; Y76-Y78 HydrophobicContact CD1-CE2 4.04Å; Y76-Y78 PolarHBondContact O-N 3.28Å; Y78-L112 CarbonylContact C-O 3.53Å; Y78-L112 WeakPolarHBondContact CA-O 3.45Å; Y78-L112 HydrophobicContact CD1-CB 4.36Å; Y78-L112 HydrophobicContact CD1-CD2 3.8Å; Y78-L112 HydrophobicContact CE1-CB 4.41Å; Y78-L112 HydrophobicContact CE1-CD1 4.16Å; Y78-L112 HydrophobicContact CE1-CD2 3.84Å; Y78-L112 HydrophobicContact CE1-CG 4.36Å; Y78-V114 HydrophobicContact CD1-CG2 3.8Å; Y78-Y225 WeakPolarHBondContact CB-OH 3.4Å; Y78-Y225 PolarHBondContact O-OH 2.88Å
79V95.5Very high90.7Very high0 Ų047.5 Ų47.50%026%0.262CS..EExtended strand (participates in β ladder)trans-123.1142.4-176.6-51.70000111.3F63 V64 I65 F111 L112 V113 V114F63-V79 HydrophobicContact CE1-CB 3.81Å; F63-V79 HydrophobicContact CE1-CG1 3.72Å; F63-V79 HydrophobicContact CZ-CB 3.68Å; F63-V79 HydrophobicContact CZ-CG1 3.83Å; F63-V79 HydrophobicContact CZ-CG2 3.91Å; V64-V79 WeakPolarHBondContact O-CA 3.45Å; V64-V79 WeakPolarHBondContact O-CB 3.46Å; I65-V79 HydrophobicContact CG1-CG1 4.16Å; I65-V79 HydrophobicContact CG2-CG1 4.47Å; V79-F111 HydrophobicContact CG1-CB 4.26Å; V79-F111 HydrophobicContact CG1-CD2 4.44Å; V79-F111 HydrophobicContact CG1-CG 4.32Å; V79-F111 HydrophobicContact CG2-CD2 3.59Å; V79-F111 HydrophobicContact CG2-CE2 3.9Å; V79-F111 HydrophobicContact CG2-CG 4.27Å; V79-L112 PolarHBondContact N-O 2.93Å; V79-V113 HydrophobicContact CG2-CB 4.06Å; V79-V113 HydrophobicContact CG2-CG1 4.04Å; V79-V113 HydrophobicContact CG2-CG2 3.71Å; V79-V113 CarbonylContact O-C 3.48Å; V79-V113 WeakPolarHBondContact O-CA 3.45Å; V79-V114 PolarHBondContact O-N 2.99Å
80A96.8Very high91.5Very high0 Ų049.8 Ų49.80%027%0.27CS..EExtended strand (participates in β ladder)trans-131.2152.4166.700000109.9V26 V27 V64 Y225V26-A80 HydrophobicContact CG1-CB 3.6Å; V27-A80 HydrophobicContact CG2-CB 4.22Å; V64-A80 HydrophobicContact CG2-CB 3.63Å; V64-A80 WeakPolarHBondContact CG2-O 3.43Å; V64-A80 PolarHBondContact N-O 3.08Å; V64-A80 PolarHBondContact O-N 2.66Å; V64-A80 VanDerWaalsContact O-N 3.17Å; A80-Y225 HydrophobicContact CB-CD1 4.14Å; A80-Y225 HydrophobicContact CB-CE1 3.55Å
81F98.1Very high92.3Very high11 Ų1151.6 Ų51.65%0.04828%0.281CS..EExtended strand (participates in β ladder)trans-140.3141.5-170.7172.7-103.1000111.1A61 L62 F63 A83 I92 F95 L96 L116 W120 F124A61-F81 HydrophobicContact CB-CE2 4.3Å; L62-F81 WeakPolarHBondContact O-CA 3.48Å; L62-F81 VanDerWaalsContact O-CD2 3.27Å; L62-F81 WeakPolarHBondContact O-CD2 3.35Å; F63-F81 HydrophobicContact CB-CD2 4.35Å; F63-F81 HydrophobicContact CD2-CB 4.22Å; F63-F81 AromaticContact CD2-CD2 3.87Å; F63-F81 HydrophobicContact CD2-CD2 3.87Å; F63-F81 HydrophobicContact CD2-CG 4.43Å; F81-A83 HydrophobicContact CE1-CB 4.04Å; F81-A83 HydrophobicContact CE2-CB 4.38Å; F81-A83 HydrophobicContact CZ-CB 3.58Å; F81-I92 HydrophobicContact CE1-CG2 4.42Å; F81-I92 HydrophobicContact CE2-CG2 4.45Å; F81-I92 HydrophobicContact CZ-CG2 3.66Å; F81-F95 HydrophobicContact CE2-CD1 4.22Å; F81-F95 HydrophobicContact CE2-CE1 4.05Å; F81-L96 HydrophobicContact CD2-CD2 3.99Å; F81-L96 HydrophobicContact CE2-CD2 3.87Å; F81-L96 HydrophobicContact CZ-CD2 4.46Å; F81-L116 HydrophobicContact CB-CD1 4.29Å; F81-L116 HydrophobicContact CD1-CD1 4.11Å; F81-W120 AromaticContact CD1-CD1 3.96Å; F81-W120 HydrophobicContact CD1-CD2 4.5Å; F81-W120 HydrophobicContact CD1-CG 4.15Å; F81-W120 AromaticContact CE1-CD1 3.94Å; F81-W120 AromaticContact CE1-CD2 3.78Å; F81-W120 HydrophobicContact CE1-CD2 3.78Å; F81-W120 AromaticContact CE1-CE2 3.82Å; F81-W120 HydrophobicContact CE1-CE3 4.3Å; F81-W120 AromaticContact CE1-CG 3.89Å; F81-W120 HydrophobicContact CE1-CG 3.89Å; F81-W120 HydrophobicContact CE1-CZ2 4.45Å; F81-W120 AromaticContact CE1-NE1 3.86Å; F81-F124 HydrophobicContact CB-CE2 4.09Å; F81-F124 HydrophobicContact CB-CZ 3.64Å; F81-F124 AromaticContact CD1-CE2 3.62Å; F81-F124 HydrophobicContact CD1-CE2 3.62Å; F81-F124 HydrophobicContact CD1-CZ 4.09Å; F81-F124 HydrophobicContact CD2-CE2 4.43Å; F81-F124 HydrophobicContact CD2-CZ 4.45Å; F81-F124 HydrophobicContact CE1-CE2 4.14Å; F81-F124 AromaticContact CG-CE2 3.77Å; F81-F124 HydrophobicContact CG-CE2 3.77Å; F81-F124 AromaticContact CG-CZ 3.8Å; F81-F124 HydrophobicContact CG-CZ 3.8Å
82F98.2Very high93.2Very high4 Ų448.2 Ų48.22%0.01826%0.258CS..EExtended strand (participates in β ladder)trans-141139.9170.5167.7-103.5000109.2L16 T17 N20 K23 V27 A61 L62L16-F82 HydrophobicContact CD1-CE1 4.14Å; L16-F82 HydrophobicContact CD2-CD1 4.37Å; L16-F82 HydrophobicContact CD2-CE1 4.09Å; L16-F82 HydrophobicContact CG-CE1 3.88Å; T17-F82 HydrophobicContact CG2-CD1 4.36Å; N20-F82 HydrophobicContact CB-CE1 4.09Å; N20-F82 HydrophobicContact CB-CE2 3.71Å; N20-F82 HydrophobicContact CB-CZ 3.24Å; N20-F82 VanDerWaalsContact CG-CZ 3.42Å; K23-F82 HydrophobicContact CB-CE2 4.25Å; V27-F82 HydrophobicContact CB-CB 4.07Å; V27-F82 HydrophobicContact CG2-CB 3.7Å; A61-F82 CarbonylContact C-O 3.59Å; A61-F82 VanDerWaalsContact CA-O 3.22Å; A61-F82 WeakPolarHBondContact CA-O 3.4Å; L62-F82 PolarHBondContact N-O 3.5Å; L62-F82 PolarHBondContact O-N 3.06Å
83A98.1Very high94.2Very high1 Ų146.6 Ų46.61%0.00824%0.238CC..EExtended strand (participates in β ladder)trans-138.5143.4164.200000109S60 A61 F81 I92 W120S60-A83 CarbonylContact O-C 3.56Å; S60-A83 WeakPolarHBondContact O-CA 3.49Å; A61-A83 HydrophobicContact CB-CB 3.66Å; F81-A83 HydrophobicContact CE1-CB 4.04Å; F81-A83 HydrophobicContact CE2-CB 4.38Å; F81-A83 HydrophobicContact CZ-CB 3.58Å; A83-I92 HydrophobicContact CB-CD1 3.67Å; A83-I92 HydrophobicContact CB-CG1 4.16Å; A83-W120 HydrophobicContact CB-CH2 4.09Å; A83-W120 HydrophobicContact CB-CZ2 3.86Å
84S96.9Very high94.9Very high3 Ų348.7 Ų48.72%0.02125%0.253CS..  trans-71.4152.8175.463.40000111S60 D86 E87S60-S84 WeakPolarHBondContact CB-OG 3.27Å; S60-S84 PolarHBondContact O-N 3.12Å; S60-S84 PolarHBondContact O-OG 3.29Å; S84-D86 WeakPolarHBondContact CB-OD1 3.4Å; S84-D86 PolarHBondContact O-N 3.31Å; S84-D86 PolarHBondContact OG-OD1 2.95Å; S84-E87 WeakPolarHBondContact O-CB 3.16Å; S84-E87 PolarHBondContact O-N 3.38Å; S84-E87 VanDerWaalsContact O-N 3.16Å
85D94.3Very high95.7Very high97 Ų9743.1 Ų43.152%0.51922%0.223SC..THydrogen-bonded Turntrans-68.2-20.4-174.2-64.6-40000113.3K23 E87K23-D85 IonicContact NZ-OD1 2.73Å; K23-D85 PolarHBondContact NZ-OD1 3.25Å; K23-D85 IonicContact NZ-OD2 3.51Å; K23-D85 PolarHBondContact NZ-OD2 2.68Å; D85-E87 VanDerWaalsContact C-N 3.31Å
86D94.3Very high96.3Very high131 Ų13136.7 Ų36.770%0.70120%0.199SC*.THydrogen-bonded Turntrans-80.8-10.117762-43.7000113.1S84 P88S84-D86 WeakPolarHBondContact CB-OD1 3.4Å; S84-D86 PolarHBondContact O-N 3.31Å; S84-D86 PolarHBondContact OG-OD1 2.95Å; D86-P88 WeakPolarHBondContact O-CD 3.23Å
87E96.6Very high96.6Very high8 Ų842.3 Ų42.34%0.03722%0.22CC..SBendtrans-75124.1178.9-17360.3-158.100111.9N54 R55 S60 S84 D85 M89 N91 I92N54-E87 PolarHBondContact ND2-OE1 3.47Å; R55-E87 IonicContact CZ-OE1 3.61Å; R55-E87 IonicContact CZ-OE2 2.74Å; R55-E87 IonicContact NE-OE2 3.96Å; R55-E87 IonicContact NH2-OE1 2.58Å; R55-E87 PolarHBondContact NH2-OE1 3.22Å; R55-E87 IonicContact NH2-OE2 3.6Å; R55-E87 PolarHBondContact NH2-OE2 2.84Å; S60-E87 VanDerWaalsContact CB-OE2 3.26Å; S60-E87 WeakPolarHBondContact CB-OE2 3.24Å; S60-E87 PolarHBondContact OG-OE2 3.44Å; S84-E87 WeakPolarHBondContact O-CB 3.16Å; S84-E87 PolarHBondContact O-N 3.38Å; S84-E87 VanDerWaalsContact O-N 3.16Å; D85-E87 VanDerWaalsContact C-N 3.31Å; E87-M89 PolarHBondContact O-N 2.92Å; E87-N91 HydrophobicContact CG-CB 4.4Å; E87-N91 WeakPolarHBondContact OE1-CB 3.31Å; E87-N91 PolarHBondContact OE1-ND2 3.47Å; E87-I92 HydrophobicContact CB-CD1 4.07Å; E87-I92 HydrophobicContact CB-CG1 4.15Å; E87-I92 HydrophobicContact CG-CD1 3.99Å; E87-I92 HydrophobicContact CG-CG1 3.49Å; E87-I92 VanDerWaalsContact CG-CG1 3.49Å
88P96.9Very high96.8Very high68 Ų6844.4 Ų44.444%0.44223%0.232SC..  trans-58.7134.2175.1-25.534.9000112.4D86 D90 N91 I92D86-P88 WeakPolarHBondContact O-CD 3.23Å; P88-D90 PolarHBondContact O-N 3.36Å; P88-D90 VanDerWaalsContact O-N 3.16Å; P88-N91 HydrophobicContact CB-CB 4.48Å; P88-N91 WeakPolarHBondContact O-CB 3.35Å; P88-N91 PolarHBondContact O-N 2.98Å; P88-I92 PolarHBondContact O-N 2.9Å; P88-I92 VanDerWaalsContact O-N 3.16Å
89M96.9Very high97Very high98 Ų9843 Ų4348%0.48323%0.227SC..Hα-helixtrans-55.6-36.7-178.2-64.2-69.8144.700112.9E87 N91 I92 L93 W120 L123E87-M89 PolarHBondContact O-N 2.92Å; M89-N91 VanDerWaalsContact C-N 3.32Å; M89-N91 PolarHBondContact O-N 2.85Å; M89-I92 WeakPolarHBondContact O-CB 3.39Å; M89-I92 PolarHBondContact O-N 3.27Å; M89-I92 HydrophobicContact SD-CD1 4.4Å; M89-L93 PolarHBondContact O-N 2.83Å; M89-W120 HydrophobicContact CE-CH2 3.75Å; M89-W120 HydrophobicContact CE-CZ3 3.69Å; M89-W120 HydrophobicContact SD-CH2 4.24Å; M89-W120 HydrophobicContact SD-CZ3 3.58Å; M89-W120 VanDerWaalsContact SD-CZ3 3.58Å; M89-L123 HydrophobicContact SD-CD1 3.53Å; M89-L123 VanDerWaalsContact SD-CD1 3.53Å
90D97.3Very high96.9Very high125 Ų12544.4 Ų44.467%0.66823%0.234SC*.Hα-helixtrans-65.3-34.7177.7-70.5-24.7000112.7P88 T94P88-D90 PolarHBondContact O-N 3.36Å; P88-D90 VanDerWaalsContact O-N 3.16Å; D90-T94 WeakPolarHBondContact O-CB 3.41Å; D90-T94 PolarHBondContact O-N 2.97Å; D90-T94 PolarHBondContact O-OG1 2.74Å
91N97.5Very high96.7Very high69 Ų6947.7 Ų47.737%0.36926%0.261SS..Hα-helixtrans-70.5-39.5175.1-67.8-11000110.8E87 P88 M89 T94 F95E87-N91 HydrophobicContact CG-CB 4.4Å; E87-N91 WeakPolarHBondContact OE1-CB 3.31Å; E87-N91 PolarHBondContact OE1-ND2 3.47Å; P88-N91 HydrophobicContact CB-CB 4.48Å; P88-N91 WeakPolarHBondContact O-CB 3.35Å; P88-N91 PolarHBondContact O-N 2.98Å; M89-N91 VanDerWaalsContact C-N 3.32Å; M89-N91 PolarHBondContact O-N 2.85Å; N91-T94 PolarHBondContact O-N 2.97Å; N91-F95 WeakPolarHBondContact O-CB 3.26Å; N91-F95 PolarHBondContact O-N 2.95Å
92I98Very high96.4Very high0 Ų054 Ų540%029%0.285CS..Hα-helixtrans-61.5-47.8174.5-61.7174.9000110F81 A83 E87 P88 M89 T94 F95 L96 W120 L123F81-I92 HydrophobicContact CE1-CG2 4.42Å; F81-I92 HydrophobicContact CE2-CG2 4.45Å; F81-I92 HydrophobicContact CZ-CG2 3.66Å; A83-I92 HydrophobicContact CB-CD1 3.67Å; A83-I92 HydrophobicContact CB-CG1 4.16Å; E87-I92 HydrophobicContact CB-CD1 4.07Å; E87-I92 HydrophobicContact CB-CG1 4.15Å; E87-I92 HydrophobicContact CG-CD1 3.99Å; E87-I92 HydrophobicContact CG-CG1 3.49Å; E87-I92 VanDerWaalsContact CG-CG1 3.49Å; P88-I92 PolarHBondContact O-N 2.9Å; P88-I92 VanDerWaalsContact O-N 3.16Å; M89-I92 WeakPolarHBondContact O-CB 3.39Å; M89-I92 PolarHBondContact O-N 3.27Å; M89-I92 HydrophobicContact SD-CD1 4.4Å; I92-T94 VanDerWaalsContact C-N 3.31Å; I92-T94 PolarHBondContact O-N 3.46Å; I92-F95 WeakPolarHBondContact O-CB 3.46Å; I92-F95 PolarHBondContact O-N 3.31Å; I92-F95 VanDerWaalsContact O-N 3.16Å; I92-L96 HydrophobicContact CG2-CD1 4.03Å; I92-L96 HydrophobicContact CG2-CG 4.27Å; I92-L96 WeakPolarHBondContact O-CG 3.3Å; I92-L96 PolarHBondContact O-N 2.78Å; I92-W120 HydrophobicContact CD1-CE3 4.48Å; I92-W120 HydrophobicContact CD1-CH2 3.3Å; I92-W120 HydrophobicContact CD1-CZ2 4.32Å; I92-W120 HydrophobicContact CD1-CZ3 3.39Å; I92-W120 HydrophobicContact CG2-CZ3 4.41Å; I92-L123 HydrophobicContact CG2-CD1 4.25Å
93L97.9Very high96.1Very high11 Ų1156.7 Ų56.76%0.05830%0.297CS..Hα-helixtrans-59-44.4177.6-176.253.9000111.6M89 F95 L96 R97 L123 Q126 A127M89-L93 PolarHBondContact O-N 2.83Å; L93-F95 VanDerWaalsContact C-N 3.32Å; L93-F95 PolarHBondContact O-N 3.38Å; L93-L96 PolarHBondContact O-N 3.46Å; L93-R97 HydrophobicContact CD1-CG 4.32Å; L93-R97 WeakPolarHBondContact O-CB 3.46Å; L93-R97 WeakPolarHBondContact O-CG 3.34Å; L93-R97 PolarHBondContact O-N 2.73Å; L93-L123 HydrophobicContact CB-CD2 3.63Å; L93-L123 HydrophobicContact CD1-CD2 4.11Å; L93-L123 HydrophobicContact CD2-CD2 4.47Å; L93-L123 HydrophobicContact CG-CD2 4.27Å; L93-Q126 HydrophobicContact CD1-CB 3.76Å; L93-A127 HydrophobicContact CD1-CB 4.12Å
94T98Very high95.5Very high83 Ų8366 Ų6651%0.50933%0.332SS..Hα-helixtrans-61.3-42.4176.5-59.80000111.4D90 N91 I92 R97 T98D90-T94 WeakPolarHBondContact O-CB 3.41Å; D90-T94 PolarHBondContact O-N 2.97Å; D90-T94 PolarHBondContact O-OG1 2.74Å; N91-T94 PolarHBondContact O-N 2.97Å; I92-T94 VanDerWaalsContact C-N 3.31Å; I92-T94 PolarHBondContact O-N 3.46Å; T94-R97 PolarHBondContact O-N 2.95Å; T94-T98 WeakPolarHBondContact O-CB 3.36Å; T94-T98 PolarHBondContact O-N 2.73Å; T94-T98 PolarHBondContact O-OG1 3.33Å
95F98.3Very high94.9Very high9 Ų966.6 Ų66.64%0.03933%0.334CS..Hα-helixtrans-61.4-50.8176.4172.2-134.7000111.8L2 N54 A61 F63 F81 N91 I92 L93 R97 T98 I99L2-F95 HydrophobicContact CD1-CD2 3.72Å; L2-F95 HydrophobicContact CD1-CE2 3.39Å; N54-F95 HydrophobicContact CB-CB 3.97Å; N54-F95 HydrophobicContact CB-CD1 3.8Å; N54-F95 HydrophobicContact CB-CD2 3.77Å; N54-F95 HydrophobicContact CB-CE1 4.16Å; N54-F95 HydrophobicContact CB-CE2 4.12Å; N54-F95 HydrophobicContact CB-CG 3.58Å; N54-F95 HydrophobicContact CB-CZ 4.31Å; A61-F95 HydrophobicContact CB-CD1 3.82Å; A61-F95 HydrophobicContact CB-CE1 3.71Å; F63-F95 HydrophobicContact CB-CE1 4.08Å; F63-F95 HydrophobicContact CB-CZ 3.84Å; F81-F95 HydrophobicContact CE2-CD1 4.22Å; F81-F95 HydrophobicContact CE2-CE1 4.05Å; N91-F95 WeakPolarHBondContact O-CB 3.26Å; N91-F95 PolarHBondContact O-N 2.95Å; I92-F95 WeakPolarHBondContact O-CB 3.46Å; I92-F95 PolarHBondContact O-N 3.31Å; I92-F95 VanDerWaalsContact O-N 3.16Å; L93-F95 VanDerWaalsContact C-N 3.32Å; L93-F95 PolarHBondContact O-N 3.38Å; F95-R97 PolarHBondContact O-N 3.21Å; F95-T98 WeakPolarHBondContact O-CB 3.32Å; F95-T98 PolarHBondContact O-N 3.25Å; F95-T98 VanDerWaalsContact O-N 3.15Å; F95-I99 HydrophobicContact CD1-CD1 4.43Å; F95-I99 HydrophobicContact CD2-CD1 3.87Å; F95-I99 HydrophobicContact CD2-CG1 4.36Å; F95-I99 HydrophobicContact CE1-CD1 4.11Å; F95-I99 HydrophobicContact CE2-CD1 3.5Å; F95-I99 VanDerWaalsContact CE2-CD1 3.5Å; F95-I99 HydrophobicContact CE2-CG1 4.14Å; F95-I99 HydrophobicContact CG-CD1 4.33Å; F95-I99 HydrophobicContact CZ-CD1 3.64Å; F95-I99 PolarHBondContact O-N 2.87Å
96L97.7Very high93.5Very high0 Ų065.7 Ų65.70%034%0.335CS..Hα-helixtrans-61.7-41.4178.2-64.3176.7000112.1F63 F81 I92 L93 T98 I99 N100 L123 F124 A127 F128F63-L96 HydrophobicContact CD2-CD2 3.73Å; F63-L96 HydrophobicContact CE2-CD2 3.98Å; F81-L96 HydrophobicContact CD2-CD2 3.99Å; F81-L96 HydrophobicContact CE2-CD2 3.87Å; F81-L96 HydrophobicContact CZ-CD2 4.46Å; I92-L96 HydrophobicContact CG2-CD1 4.03Å; I92-L96 HydrophobicContact CG2-CG 4.27Å; I92-L96 WeakPolarHBondContact O-CG 3.3Å; I92-L96 PolarHBondContact O-N 2.78Å; L93-L96 PolarHBondContact O-N 3.46Å; L96-T98 VanDerWaalsContact C-N 3.32Å; L96-T98 PolarHBondContact O-N 3.47Å; L96-I99 PolarHBondContact O-N 2.93Å; L96-N100 PolarHBondContact O-N 3.37Å; L96-L123 HydrophobicContact CD1-CB 4.27Å; L96-F124 HydrophobicContact CD1-CD2 3.81Å; L96-F124 HydrophobicContact CD1-CE2 3.85Å; L96-F124 HydrophobicContact CD2-CE2 3.99Å; L96-F124 HydrophobicContact CD2-CZ 4.16Å; L96-A127 HydrophobicContact CB-CB 3.46Å; L96-A127 VanDerWaalsContact CB-CB 3.46Å; L96-A127 HydrophobicContact CD1-CB 4.28Å; L96-F128 HydrophobicContact CB-CE2 4.09Å; L96-F128 HydrophobicContact CB-CZ 4.17Å; L96-F128 HydrophobicContact CD1-CE2 4.49Å; L96-F128 HydrophobicContact CD2-CE2 4.08Å; L96-F128 HydrophobicContact CD2-CZ 4.21Å; L96-F128 HydrophobicContact CG-CE2 4.44Å
97R96.2Very high91.4Very high124 Ų12465.4 Ų65.447%0.46833%0.33SS..Hα-helixtrans-63.2-37.7174.6-77.1177174.1160.20.3112.6L93 T94 F95 I99 N100 A101 A127L93-R97 HydrophobicContact CD1-CG 4.32Å; L93-R97 WeakPolarHBondContact O-CB 3.46Å; L93-R97 WeakPolarHBondContact O-CG 3.34Å; L93-R97 PolarHBondContact O-N 2.73Å; T94-R97 PolarHBondContact O-N 2.95Å; F95-R97 PolarHBondContact O-N 3.21Å; R97-I99 VanDerWaalsContact C-N 3.33Å; R97-N100 PolarHBondContact O-N 3.4Å; R97-A101 WeakPolarHBondContact O-CB 3.33Å; R97-A101 PolarHBondContact O-N 3.47Å; R97-A127 HydrophobicContact CG-CB 4.28Å
98T96.9Very high89.4Confident61 Ų6169 Ų6937%0.37436%0.361SS..Hα-helixtrans-65.3-40.1177-54.10000110.9L2 T94 F95 L96 A101 R102L2-T98 HydrophobicContact CB-CG2 3.89Å; L2-T98 HydrophobicContact CD2-CG2 4.07Å; L2-T98 HydrophobicContact CG-CG2 4.46Å; T94-T98 WeakPolarHBondContact O-CB 3.36Å; T94-T98 PolarHBondContact O-N 2.73Å; T94-T98 PolarHBondContact O-OG1 3.33Å; F95-T98 WeakPolarHBondContact O-CB 3.32Å; F95-T98 PolarHBondContact O-N 3.25Å; F95-T98 VanDerWaalsContact O-N 3.15Å; L96-T98 VanDerWaalsContact C-N 3.32Å; L96-T98 PolarHBondContact O-N 3.47Å; T98-A101 PolarHBondContact O-N 2.81Å; T98-R102 WeakPolarHBondContact O-CB 3.33Å; T98-R102 PolarHBondContact O-N 2.93Å; T98-R102 VanDerWaalsContact O-N 3.09Å
99I95.9Very high88.3Confident0 Ų070.3 Ų70.30%036%0.361CS..Hα-helixtrans-63.3-48.2173.1-67.6160.4000110.5L2 Y52 F63 F95 L96 R97 A101 R102 H103 F105L2-I99 HydrophobicContact CD1-CD1 4.49Å; L2-I99 HydrophobicContact CD1-CG1 3.88Å; Y52-I99 HydrophobicContact CD2-CG1 4.45Å; F63-I99 HydrophobicContact CB-CD1 3.4Å; F63-I99 VanDerWaalsContact CB-CD1 3.4Å; F63-I99 HydrophobicContact CD1-CD1 3.97Å; F63-I99 HydrophobicContact CD1-CG2 4.04Å; F63-I99 HydrophobicContact CD2-CD1 3.91Å; F63-I99 HydrophobicContact CE1-CG2 3.88Å; F63-I99 HydrophobicContact CG-CD1 3.52Å; F63-I99 HydrophobicContact CZ-CG2 4.28Å; F95-I99 HydrophobicContact CD1-CD1 4.43Å; F95-I99 HydrophobicContact CD2-CD1 3.87Å; F95-I99 HydrophobicContact CD2-CG1 4.36Å; F95-I99 HydrophobicContact CE1-CD1 4.11Å; F95-I99 HydrophobicContact CE2-CD1 3.5Å; F95-I99 VanDerWaalsContact CE2-CD1 3.5Å; F95-I99 HydrophobicContact CE2-CG1 4.14Å; F95-I99 HydrophobicContact CG-CD1 4.33Å; F95-I99 HydrophobicContact CZ-CD1 3.64Å; F95-I99 PolarHBondContact O-N 2.87Å; L96-I99 PolarHBondContact O-N 2.93Å; R97-I99 VanDerWaalsContact C-N 3.33Å; I99-A101 VanDerWaalsContact C-N 3.32Å; I99-A101 PolarHBondContact O-N 2.83Å; I99-R102 PolarHBondContact O-N 2.98Å; I99-R102 VanDerWaalsContact O-N 3.12Å; I99-H103 PolarHBondContact O-CD2 3.27Å; I99-H103 PolarHBondContact O-N 3.03Å; I99-F105 HydrophobicContact CG2-CE2 4.21Å; I99-F105 HydrophobicContact CG2-CZ 4.42Å
100N93.8Very high87.9Confident30 Ų3065.9 Ų65.916%0.1634%0.34CS..Hα-helixtrans-57.7-45.3178.2-16924.1000111.5L96 R97 R102 R104 A127 F128L96-N100 PolarHBondContact O-N 3.37Å; R97-N100 PolarHBondContact O-N 3.4Å; N100-R102 VanDerWaalsContact C-N 3.29Å; N100-R102 PolarHBondContact O-N 2.86Å; N100-R104 VanDerWaalsContact O-CA 3.26Å; N100-R104 WeakPolarHBondContact O-CA 3.25Å; N100-R104 PolarHBondContact O-N 3.31Å; N100-A127 PolarHBondContact ND2-O 3.17Å; N100-F128 HydrophobicContact CB-CD1 3.68Å; N100-F128 HydrophobicContact CB-CE1 3.65Å
101A92.5Very high87.8Confident68 Ų6859.9 Ų59.956%0.56231%0.309SS*.Hα-helixtrans-63.3-33.317800000113.3R97 T98 I99 R104R97-A101 WeakPolarHBondContact O-CB 3.33Å; R97-A101 PolarHBondContact O-N 3.47Å; T98-A101 PolarHBondContact O-N 2.81Å; I99-A101 VanDerWaalsContact C-N 3.32Å; I99-A101 PolarHBondContact O-N 2.83Å; A101-R104 WeakPolarHBondContact O-CG 3.3Å
102R92.9Very high87.6Confident145 Ų14557.3 Ų57.355%0.54730%0.295SS..Hα-helixtrans-73.5-49.1178.6-179.5175.9178.1111.3-10.1112.2E4 Y52 T98 I99 N100E4-R102 IonicContact OE2-CZ 3.57Å; E4-R102 IonicContact OE2-NH2 3.75Å; E4-R102 PolarHBondContact OE2-NH2 2.9Å; Y52-R102 PolarHBondContact OH-NE 3.22Å; Y52-R102 PolarHBondContact OH-NH2 3.42Å; T98-R102 WeakPolarHBondContact O-CB 3.33Å; T98-R102 PolarHBondContact O-N 2.93Å; T98-R102 VanDerWaalsContact O-N 3.09Å; I99-R102 PolarHBondContact O-N 2.98Å; I99-R102 VanDerWaalsContact O-N 3.12Å; N100-R102 VanDerWaalsContact C-N 3.29Å; N100-R102 PolarHBondContact O-N 2.86Å
103H90.4Very high87.4Confident59 Ų5957.3 Ų57.327%0.27330%0.295SS..Hα-helixtrans-88.7-23.8-174.4-71.1-81.2000113.5Y52 I99 F105Y52-H103 AromaticContact CE2-CE1 3.93Å; Y52-H103 AromaticContact CE2-NE2 3.12Å; Y52-H103 WeakPolarHBondContact CE2-NE2 3.45Å; Y52-H103 AromaticContact CZ-NE2 3.58Å; Y52-H103 PolarHBondContact OH-NE2 3.45Å; I99-H103 PolarHBondContact O-CD2 3.27Å; I99-H103 PolarHBondContact O-N 3.03Å; H103-F105 VanDerWaalsContact C-N 3.29Å; H103-F105 HydrophobicContact CB-CD1 4.22Å; H103-F105 HydrophobicContact CB-CD2 4.23Å; H103-F105 HydrophobicContact CB-CE1 3.86Å; H103-F105 HydrophobicContact CB-CE2 3.87Å; H103-F105 HydrophobicContact CB-CG 4.39Å; H103-F105 HydrophobicContact CB-CZ 3.68Å; H103-F105 PolarHBondContact O-N 3.03Å
104R86.4Confident87.2Confident198 Ų19857 Ų5775%0.74729%0.293SS*.  trans40.959.3-176.8-59.6-175.5-179-174.4-1.4110.7N100 A101 S106N100-R104 VanDerWaalsContact O-CA 3.26Å; N100-R104 WeakPolarHBondContact O-CA 3.25Å; N100-R104 PolarHBondContact O-N 3.31Å; A101-R104 WeakPolarHBondContact O-CG 3.3Å; R104-S106 VanDerWaalsContact C-N 3.28Å; R104-S106 VanDerWaalsContact O-CA 3.26Å; R104-S106 WeakPolarHBondContact O-CA 3.41Å; R104-S106 WeakPolarHBondContact O-CB 3.43Å; R104-S106 PolarHBondContact O-N 2.74Å
105F84.3Confident87Confident15 Ų1553.3 Ų53.37%0.06627%0.271CS..  trans-5096.6-179.8-60.1-74.8000108.5I65 P77 I99 H103 F111 F128 L133 L294I65-F105 HydrophobicContact CD1-CE1 4.5Å; I65-F105 HydrophobicContact CD1-CZ 4.05Å; P77-F105 HydrophobicContact CB-CD1 4.48Å; P77-F105 HydrophobicContact CB-CE1 4.14Å; P77-F105 HydrophobicContact CG-CD1 4.27Å; P77-F105 HydrophobicContact CG-CE1 4.33Å; I99-F105 HydrophobicContact CG2-CE2 4.21Å; I99-F105 HydrophobicContact CG2-CZ 4.42Å; H103-F105 VanDerWaalsContact C-N 3.29Å; H103-F105 HydrophobicContact CB-CD1 4.22Å; H103-F105 HydrophobicContact CB-CD2 4.23Å; H103-F105 HydrophobicContact CB-CE1 3.86Å; H103-F105 HydrophobicContact CB-CE2 3.87Å; H103-F105 HydrophobicContact CB-CG 4.39Å; H103-F105 HydrophobicContact CB-CZ 3.68Å; H103-F105 PolarHBondContact O-N 3.03Å; F105-F111 HydrophobicContact CB-CD1 3.97Å; F105-F111 HydrophobicContact CB-CE1 4.38Å; F105-F111 HydrophobicContact CD1-CB 4.41Å; F105-F111 AromaticContact CD1-CD1 3.7Å; F105-F111 HydrophobicContact CD1-CD1 3.7Å; F105-F111 HydrophobicContact CD1-CE1 4.49Å; F105-F111 AromaticContact CD2-CD1 3.64Å; F105-F111 HydrophobicContact CD2-CD1 3.64Å; F105-F111 AromaticContact CD2-CE1 3.6Å; F105-F111 HydrophobicContact CD2-CE1 3.6Å; F105-F111 HydrophobicContact CE1-CD1 4.01Å; F105-F111 AromaticContact CE2-CD1 3.95Å; F105-F111 HydrophobicContact CE2-CD1 3.95Å; F105-F111 AromaticContact CE2-CE1 3.89Å; F105-F111 HydrophobicContact CE2-CE1 3.89Å; F105-F111 AromaticContact CG-CD1 3.5Å; F105-F111 HydrophobicContact CG-CD1 3.5Å; F105-F111 AromaticContact CG-CE1 3.93Å; F105-F111 HydrophobicContact CG-CE1 3.93Å; F105-F111 HydrophobicContact CZ-CD1 4.13Å; F105-F111 HydrophobicContact CZ-CE1 4.45Å; F105-F128 HydrophobicContact CD2-CD1 4.15Å; F105-F128 HydrophobicContact CD2-CE1 4.12Å; F105-F128 HydrophobicContact CE2-CD1 4.3Å; F105-F128 AromaticContact CE2-CE1 3.81Å; F105-F128 HydrophobicContact CE2-CE1 3.81Å; F105-L133 WeakPolarHBondContact O-CD1 3.43Å; F105-L294 HydrophobicContact CB-CD2 4.25Å
106S64.8Low86.9Confident77 Ų7753 Ų5354%0.53827%0.269SS..  trans-83.2166.8-15673.10000111.4R104 A108 E109 G110R104-S106 VanDerWaalsContact C-N 3.28Å; R104-S106 VanDerWaalsContact O-CA 3.26Å; R104-S106 WeakPolarHBondContact O-CA 3.41Å; R104-S106 WeakPolarHBondContact O-CB 3.43Å; R104-S106 PolarHBondContact O-N 2.74Å; S106-A108 PolarHBondContact O-N 2.95Å; S106-E109 PolarHBondContact O-N 3.21Å; S106-E109 VanDerWaalsContact O-N 3.12Å; S106-G110 PolarHBondContact O-N 3.26Å
107E51.1Low86.8Confident126 Ų12653.2 Ų53.259%0.58927%0.271SS*.THydrogen-bonded Turntrans-48.2-21.8-177.2-73.4-178.9172.300115.3P132 Q296E107-P132 HydrophobicContact CG-CG 4.33Å; E107-Q296 WeakPolarHBondContact O-CG 3.19Å; E107-Q296 PolarHBondContact O-NE2 2.81Å
108A54.5Low86.9Confident84 Ų8449.3 Ų49.369%0.69426%0.261SS*.THydrogen-bonded Turntrans-88-26-177.500000114.6S106S106-A108 PolarHBondContact O-N 2.95Å
109E73.3Confident86.8Confident95 Ų9550.9 Ų50.944%0.44426%0.26SS..THydrogen-bonded Turntrans-149.41-162.4-61.3-172.2167.500117.2I73 Y76 S106I73-E109 HydrophobicContact CD1-CB 4.23Å; I73-E109 HydrophobicContact CD1-CG 3.81Å; Y76-E109 WeakPolarHBondContact CE2-O 3.29Å; Y76-E109 PolarHBondContact OH-O 3.44Å; S106-E109 PolarHBondContact O-N 3.21Å; S106-E109 VanDerWaalsContact O-N 3.12Å
110G89.4Confident86.8Confident4 Ų451 Ų514%0.04126%0.261CS..  trans45.8-143.2164.800000116.9S106 L294S106-G110 PolarHBondContact O-N 3.26Å; G110-L294 VanDerWaalsContact CA-O 3.31Å; G110-L294 WeakPolarHBondContact CA-O 2.91Å
111F93.9Very high87Confident0 Ų050.9 Ų50.90%026%0.26CS..EExtended strand (participates in β ladder)trans-162.2166.2169.558-107.5000111.8P77 V79 F105 V113 F128 L135 Q293 L294P77-F111 HydrophobicContact CB-CB 3.84Å; P77-F111 HydrophobicContact CG-CB 4.41Å; P77-F111 CarbonylContact O-C 3.59Å; P77-F111 WeakPolarHBondContact O-CA 3.17Å; P77-F111 WeakPolarHBondContact O-CB 3.31Å; V79-F111 HydrophobicContact CG1-CB 4.26Å; V79-F111 HydrophobicContact CG1-CD2 4.44Å; V79-F111 HydrophobicContact CG1-CG 4.32Å; V79-F111 HydrophobicContact CG2-CD2 3.59Å; V79-F111 HydrophobicContact CG2-CE2 3.9Å; V79-F111 HydrophobicContact CG2-CG 4.27Å; F105-F111 HydrophobicContact CB-CD1 3.97Å; F105-F111 HydrophobicContact CB-CE1 4.38Å; F105-F111 HydrophobicContact CD1-CB 4.41Å; F105-F111 AromaticContact CD1-CD1 3.7Å; F105-F111 HydrophobicContact CD1-CD1 3.7Å; F105-F111 HydrophobicContact CD1-CE1 4.49Å; F105-F111 AromaticContact CD2-CD1 3.64Å; F105-F111 HydrophobicContact CD2-CD1 3.64Å; F105-F111 AromaticContact CD2-CE1 3.6Å; F105-F111 HydrophobicContact CD2-CE1 3.6Å; F105-F111 HydrophobicContact CE1-CD1 4.01Å; F105-F111 AromaticContact CE2-CD1 3.95Å; F105-F111 HydrophobicContact CE2-CD1 3.95Å; F105-F111 AromaticContact CE2-CE1 3.89Å; F105-F111 HydrophobicContact CE2-CE1 3.89Å; F105-F111 AromaticContact CG-CD1 3.5Å; F105-F111 HydrophobicContact CG-CD1 3.5Å; F105-F111 AromaticContact CG-CE1 3.93Å; F105-F111 HydrophobicContact CG-CE1 3.93Å; F105-F111 HydrophobicContact CZ-CD1 4.13Å; F105-F111 HydrophobicContact CZ-CE1 4.45Å; F111-V113 HydrophobicContact CD2-CG2 3.69Å; F111-V113 HydrophobicContact CE2-CG2 3.32Å; F111-F128 HydrophobicContact CE1-CB 4.28Å; F111-F128 AromaticContact CE1-CD1 3.65Å; F111-F128 HydrophobicContact CE1-CD1 3.65Å; F111-F128 HydrophobicContact CE1-CD2 4.5Å; F111-F128 HydrophobicContact CE1-CE1 4.07Å; F111-F128 AromaticContact CE1-CG 3.91Å; F111-F128 HydrophobicContact CE1-CG 3.91Å; F111-F128 HydrophobicContact CZ-CB 4.03Å; F111-F128 AromaticContact CZ-CD1 3.86Å; F111-F128 HydrophobicContact CZ-CD1 3.86Å; F111-F128 AromaticContact CZ-CD2 3.87Å; F111-F128 HydrophobicContact CZ-CD2 3.87Å; F111-F128 HydrophobicContact CZ-CE1 4.27Å; F111-F128 HydrophobicContact CZ-CE2 4.28Å; F111-F128 AromaticContact CZ-CG 3.65Å; F111-F128 HydrophobicContact CZ-CG 3.65Å; F111-F128 HydrophobicContact CZ-CZ 4.47Å; F111-L135 HydrophobicContact CE2-CD2 4.13Å; F111-L135 HydrophobicContact CZ-CD2 4.47Å; F111-Q293 WeakPolarHBondContact O-CA 3.49Å; F111-L294 HydrophobicContact CD1-CB 4.09Å; F111-L294 HydrophobicContact CD1-CD2 3.71Å; F111-L294 HydrophobicContact CD2-CB 4.07Å; F111-L294 HydrophobicContact CE1-CB 4.06Å; F111-L294 HydrophobicContact CE1-CD2 3.37Å; F111-L294 HydrophobicContact CE1-CG 4.3Å; F111-L294 HydrophobicContact CE2-CB 3.97Å; F111-L294 HydrophobicContact CG-CB 4.12Å; F111-L294 HydrophobicContact CZ-CB 3.99Å; F111-L294 HydrophobicContact CZ-CD2 3.92Å; F111-L294 HydrophobicContact CZ-CG 4.45Å; F111-L294 PolarHBondContact N-O 3.42Å; F111-L294 PolarHBondContact O-N 2.58Å
112L93.3Very high87.2Confident15 Ų1554 Ų548%0.07926%0.263CS..EExtended strand (participates in β ladder)trans-110.2125.5171.5-171.3150000110F70 Y76 P77 Y78 V79 V114 L292F70-L112 HydrophobicContact CE2-CD1 4.22Å; F70-L112 HydrophobicContact CZ-CD1 4.11Å; Y76-L112 HydrophobicContact CE1-CB 3.87Å; P77-L112 PolarHBondContact O-N 3.05Å; Y78-L112 CarbonylContact C-O 3.53Å; Y78-L112 WeakPolarHBondContact CA-O 3.45Å; Y78-L112 HydrophobicContact CD1-CB 4.36Å; Y78-L112 HydrophobicContact CD1-CD2 3.8Å; Y78-L112 HydrophobicContact CE1-CB 4.41Å; Y78-L112 HydrophobicContact CE1-CD1 4.16Å; Y78-L112 HydrophobicContact CE1-CD2 3.84Å; Y78-L112 HydrophobicContact CE1-CG 4.36Å; V79-L112 PolarHBondContact N-O 2.93Å; L112-V114 HydrophobicContact CD2-CG2 3.68Å; L112-L292 CarbonylContact C-O 3.44Å; L112-L292 WeakPolarHBondContact CA-O 2.97Å
113V95Very high87.4Confident0 Ų047.9 Ų47.90%024%0.241CC..EExtended strand (participates in β ladder)trans-91.2119.3173.7-164.20000110.1V79 F111 S115 L116 F124 L292V79-V113 HydrophobicContact CG2-CB 4.06Å; V79-V113 HydrophobicContact CG2-CG1 4.04Å; V79-V113 HydrophobicContact CG2-CG2 3.71Å; V79-V113 CarbonylContact O-C 3.48Å; V79-V113 WeakPolarHBondContact O-CA 3.45Å; F111-V113 HydrophobicContact CD2-CG2 3.69Å; F111-V113 HydrophobicContact CE2-CG2 3.32Å; V113-S115 PolarHBondContact O-N 3.26Å; V113-L116 HydrophobicContact CB-CB 4.48Å; V113-L116 HydrophobicContact CG1-CB 3.67Å; V113-L116 HydrophobicContact CG1-CD1 4.14Å; V113-L116 HydrophobicContact CG1-CG 4.34Å; V113-F124 HydrophobicContact CG1-CE1 4.15Å; V113-F124 HydrophobicContact CG2-CD1 4.17Å; V113-F124 HydrophobicContact CG2-CE1 4Å; V113-L292 HydrophobicContact CB-CB 4.01Å; V113-L292 HydrophobicContact CB-CD1 4.49Å; V113-L292 HydrophobicContact CG2-CB 3.98Å; V113-L292 HydrophobicContact CG2-CD1 4.37Å; V113-L292 PolarHBondContact N-O 2.92Å; V113-L292 PolarHBondContact O-N 3.09Å
114V92Very high87.7Confident5 Ų545 Ų453%0.0323%0.228CC..EExtended strand (participates in β ladder)trans-85.7109.1176.7-174.80000109.5V26 Y78 V79 L112 Y225 Y227V26-V114 HydrophobicContact CG1-CG1 4.44Å; Y78-V114 HydrophobicContact CD1-CG2 3.8Å; V79-V114 PolarHBondContact O-N 2.99Å; L112-V114 HydrophobicContact CD2-CG2 3.68Å; V114-Y225 HydrophobicContact CB-CD2 4.11Å; V114-Y225 HydrophobicContact CB-CE1 4.44Å; V114-Y225 HydrophobicContact CB-CE2 3.96Å; V114-Y225 HydrophobicContact CB-CG 4.4Å; V114-Y225 HydrophobicContact CG1-CD1 4.4Å; V114-Y225 HydrophobicContact CG1-CD2 3.73Å; V114-Y225 HydrophobicContact CG1-CE2 4.11Å; V114-Y225 HydrophobicContact CG1-CG 3.87Å; V114-Y225 HydrophobicContact CG2-CD2 3.92Å; V114-Y225 HydrophobicContact CG2-CE2 3.45Å; V114-Y225 VanDerWaalsContact CG2-CE2 3.45Å; V114-Y227 HydrophobicContact CG1-CE1 4.24Å
115S94Very high88.2Confident4 Ų439.5 Ų39.53%0.02821%0.21CC..EExtended strand (participates in β ladder)trans57.356.6168.9-161.70000112.9V113 P117 H264 S289 Y290V113-S115 PolarHBondContact O-N 3.26Å; S115-P117 VanDerWaalsContact O-CD 3.25Å; S115-P117 WeakPolarHBondContact O-CD 3.34Å; S115-H264 WeakPolarHBondContact CB-NE2 3.5Å; S115-H264 PolarHBondContact OG-CD2 3.2Å; S115-H264 PolarHBondContact OG-CE1 3.29Å; S115-H264 PolarHBondContact OG-NE2 3.01Å; S115-S289 VanDerWaalsContact OG-CB 3.24Å; S115-S289 WeakPolarHBondContact OG-CB 3.31Å; S115-S289 PolarHBondContact OG-OG 3.11Å; S115-Y290 CarbonylContact C-O 3.52Å; S115-Y290 VanDerWaalsContact CA-O 3.28Å; S115-Y290 WeakPolarHBondContact CA-O 3.4Å; S115-Y290 PolarHBondContact N-O 3.47Å
116L96.7Very high88.7Confident2 Ų243 Ų431%0.0123%0.227CC..EExtended strand (participates in β ladder)trans-71.7119.8174.3-170.968.6000110.1F81 V113 T118 W120 F124 S289 Y290 L292F81-L116 HydrophobicContact CB-CD1 4.29Å; F81-L116 HydrophobicContact CD1-CD1 4.11Å; V113-L116 HydrophobicContact CB-CB 4.48Å; V113-L116 HydrophobicContact CG1-CB 3.67Å; V113-L116 HydrophobicContact CG1-CD1 4.14Å; V113-L116 HydrophobicContact CG1-CG 4.34Å; L116-T118 PolarHBondContact O-N 3.46Å; L116-W120 HydrophobicContact CD1-CB 3.76Å; L116-W120 HydrophobicContact CD1-CG 4.38Å; L116-W120 HydrophobicContact CD2-CB 4.08Å; L116-W120 HydrophobicContact CG-CB 3.91Å; L116-F124 HydrophobicContact CD1-CD1 4.45Å; L116-F124 HydrophobicContact CD1-CD2 3.85Å; L116-F124 HydrophobicContact CD1-CE1 4.08Å; L116-F124 HydrophobicContact CD1-CE2 3.44Å; L116-F124 VanDerWaalsContact CD1-CE2 3.44Å; L116-F124 HydrophobicContact CD1-CG 4.34Å; L116-F124 HydrophobicContact CD1-CZ 3.57Å; L116-F124 HydrophobicContact CD2-CB 4.04Å; L116-F124 HydrophobicContact CD2-CD1 3.95Å; L116-F124 HydrophobicContact CD2-CD2 3.76Å; L116-F124 HydrophobicContact CD2-CE1 4.37Å; L116-F124 HydrophobicContact CD2-CE2 4.22Å; L116-F124 HydrophobicContact CD2-CG 3.62Å; L116-F124 HydrophobicContact CD2-CZ 4.5Å; L116-F124 HydrophobicContact CG-CD2 4.47Å; L116-F124 HydrophobicContact CG-CE2 4.5Å; L116-S289 CarbonylContact O-C 3.57Å; L116-S289 WeakPolarHBondContact O-CA 3.42Å; L116-S289 WeakPolarHBondContact O-CB 3.25Å; L116-Y290 PolarHBondContact N-O 3.43Å; L116-Y290 PolarHBondContact O-N 2.85Å; L116-L292 HydrophobicContact CB-CD1 4.11Å; L116-L292 HydrophobicContact CD2-CD1 3.45Å; L116-L292 VanDerWaalsContact CD2-CD1 3.45Å; L116-L292 HydrophobicContact CG-CD1 4.4Å
117P96.8Very high90.2Very high5 Ų539.6 Ų39.63%0.03220%0.204CC..EExtended strand (participates in β ladder)trans-51.3133.3169.6-24.330.2000111.7S115 Y119 W120 F287 H288S115-P117 VanDerWaalsContact O-CD 3.25Å; S115-P117 WeakPolarHBondContact O-CD 3.34Å; P117-Y119 HydrophobicContact CB-CD1 3.86Å; P117-Y119 HydrophobicContact CB-CD2 4.38Å; P117-Y119 HydrophobicContact CB-CE1 3.33Å; P117-Y119 HydrophobicContact CB-CE2 3.94Å; P117-Y119 HydrophobicContact CB-CG 4.35Å; P117-Y119 HydrophobicContact CG-CE1 4.38Å; P117-Y119 PolarHBondContact O-N 3.39Å; P117-W120 WeakPolarHBondContact O-CB 3.26Å; P117-W120 PolarHBondContact O-N 3.02Å; P117-F287 HydrophobicContact CB-CD2 4.01Å; P117-F287 HydrophobicContact CB-CE2 4.44Å; P117-F287 HydrophobicContact CG-CD2 4.14Å; P117-F287 HydrophobicContact CG-CE2 4.06Å; P117-H288 WeakPolarHBondContact CA-O 3.43Å
118T96.7Very high92.3Very high42 Ų4233.6 Ų33.626%0.25818%0.176SC..G310 helixtrans-59-29.5-169.156.70000113.4L116 W120 L121 H288 Y290L116-T118 PolarHBondContact O-N 3.46Å; T118-W120 PolarHBondContact O-N 3.24Å; T118-L121 VanDerWaalsContact O-CB 3.32Å; T118-L121 WeakPolarHBondContact O-CB 3.38Å; T118-L121 PolarHBondContact O-N 3.44Å; T118-L121 VanDerWaalsContact O-N 3.16Å; T118-H288 HydrophobicContact CG2-CB 3.61Å; T118-H288 PolarHBondContact N-O 3Å; T118-Y290 HydrophobicContact CG2-CD1 4.29Å; T118-Y290 HydrophobicContact CG2-CD2 3.75Å; T118-Y290 HydrophobicContact CG2-CE1 3.98Å; T118-Y290 HydrophobicContact CG2-CE2 3.4Å; T118-Y290 VanDerWaalsContact CG2-CE2 3.4Å; T118-Y290 HydrophobicContact CG2-CG 4.18Å
119Y95.7Very high94.1Very high94 Ų9431.9 Ų31.937%0.36916%0.158SC..G310 helixtrans-68.1-12.5177.354.9-98000114.1P117 F287P117-Y119 HydrophobicContact CB-CD1 3.86Å; P117-Y119 HydrophobicContact CB-CD2 4.38Å; P117-Y119 HydrophobicContact CB-CE1 3.33Å; P117-Y119 HydrophobicContact CB-CE2 3.94Å; P117-Y119 HydrophobicContact CB-CG 4.35Å; P117-Y119 HydrophobicContact CG-CE1 4.38Å; P117-Y119 PolarHBondContact O-N 3.39Å; Y119-F287 HydrophobicContact CE1-CB 3.95Å; Y119-F287 HydrophobicContact CE1-CG 4.47Å
120W96.4Very high94.6Very high4 Ų433.2 Ų33.22%0.01517%0.168CC..G310 helixtrans-90.8-9.3172.8-64.6130.4000114.2F81 A83 M89 I92 L116 P117 T118 Q122 L123 F124F81-W120 AromaticContact CD1-CD1 3.96Å; F81-W120 HydrophobicContact CD1-CD2 4.5Å; F81-W120 HydrophobicContact CD1-CG 4.15Å; F81-W120 AromaticContact CE1-CD1 3.94Å; F81-W120 AromaticContact CE1-CD2 3.78Å; F81-W120 HydrophobicContact CE1-CD2 3.78Å; F81-W120 AromaticContact CE1-CE2 3.82Å; F81-W120 HydrophobicContact CE1-CE3 4.3Å; F81-W120 AromaticContact CE1-CG 3.89Å; F81-W120 HydrophobicContact CE1-CG 3.89Å; F81-W120 HydrophobicContact CE1-CZ2 4.45Å; F81-W120 AromaticContact CE1-NE1 3.86Å; A83-W120 HydrophobicContact CB-CH2 4.09Å; A83-W120 HydrophobicContact CB-CZ2 3.86Å; M89-W120 HydrophobicContact CE-CH2 3.75Å; M89-W120 HydrophobicContact CE-CZ3 3.69Å; M89-W120 HydrophobicContact SD-CH2 4.24Å; M89-W120 HydrophobicContact SD-CZ3 3.58Å; M89-W120 VanDerWaalsContact SD-CZ3 3.58Å; I92-W120 HydrophobicContact CD1-CE3 4.48Å; I92-W120 HydrophobicContact CD1-CH2 3.3Å; I92-W120 HydrophobicContact CD1-CZ2 4.32Å; I92-W120 HydrophobicContact CD1-CZ3 3.39Å; I92-W120 HydrophobicContact CG2-CZ3 4.41Å; L116-W120 HydrophobicContact CD1-CB 3.76Å; L116-W120 HydrophobicContact CD1-CG 4.38Å; L116-W120 HydrophobicContact CD2-CB 4.08Å; L116-W120 HydrophobicContact CG-CB 3.91Å; P117-W120 WeakPolarHBondContact O-CB 3.26Å; P117-W120 PolarHBondContact O-N 3.02Å; T118-W120 PolarHBondContact O-N 3.24Å; W120-Q122 VanDerWaalsContact C-N 3.33Å; W120-Q122 PolarHBondContact O-N 2.98Å; W120-L123 HydrophobicContact CE3-CD1 3.54Å; W120-L123 HydrophobicContact CZ3-CD1 3.61Å; W120-L123 PolarHBondContact O-N 2.79Å; W120-F124 HydrophobicContact CB-CD2 4.25Å; W120-F124 HydrophobicContact CB-CE2 4.5Å; W120-F124 PolarHBondContact O-N 3.45Å
121L96.9Very high94.4Very high27 Ų2736.3 Ų36.314%0.14120%0.2CC..Hα-helixtrans-55.5-45.9-173.4176.162.3000112.4T118 L123 F124 Q125 Y290 L292T118-L121 VanDerWaalsContact O-CB 3.32Å; T118-L121 WeakPolarHBondContact O-CB 3.38Å; T118-L121 PolarHBondContact O-N 3.44Å; T118-L121 VanDerWaalsContact O-N 3.16Å; L121-L123 VanDerWaalsContact C-N 3.33Å; L121-L123 PolarHBondContact O-N 3.05Å; L121-F124 WeakPolarHBondContact O-CB 3.45Å; L121-F124 PolarHBondContact O-N 3.41Å; L121-Q125 HydrophobicContact CD1-CG 4.15Å; L121-Q125 HydrophobicContact CG-CG 4.43Å; L121-Q125 WeakPolarHBondContact O-CG 3.48Å; L121-Q125 PolarHBondContact O-N 2.86Å; L121-Y290 HydrophobicContact CB-CD2 4.36Å; L121-Y290 HydrophobicContact CB-CE2 4.19Å; L121-Y290 HydrophobicContact CD2-CD2 4.23Å; L121-Y290 HydrophobicContact CD2-CE2 3.66Å; L121-Y290 HydrophobicContact CG-CE2 4.42Å; L121-L292 HydrophobicContact CD1-CD1 3.82Å; L121-L292 HydrophobicContact CD1-CD2 4.16Å
122Q96.7Very high94.1Very high133 Ų13339 Ų3962%0.62122%0.217SC*.Hα-helixtrans-63.4-39.4-176.9-170.3-175.51.600112.1W120 Q125 Q126W120-Q122 VanDerWaalsContact C-N 3.33Å; W120-Q122 PolarHBondContact O-N 2.98Å; Q122-Q125 PolarHBondContact O-N 2.86Å; Q122-Q126 WeakPolarHBondContact O-CG 3.3Å; Q122-Q126 PolarHBondContact O-N 2.88Å
123L97Very high93.9Very high16 Ų1639.1 Ų39.18%0.08422%0.218CC..Hα-helixtrans-68.2-40.5176.6-82.6161.2000111.5M89 I92 L93 L96 W120 L121 Q126 A127M89-L123 HydrophobicContact SD-CD1 3.53Å; M89-L123 VanDerWaalsContact SD-CD1 3.53Å; I92-L123 HydrophobicContact CG2-CD1 4.25Å; L93-L123 HydrophobicContact CB-CD2 3.63Å; L93-L123 HydrophobicContact CD1-CD2 4.11Å; L93-L123 HydrophobicContact CD2-CD2 4.47Å; L93-L123 HydrophobicContact CG-CD2 4.27Å; L96-L123 HydrophobicContact CD1-CB 4.27Å; W120-L123 HydrophobicContact CE3-CD1 3.54Å; W120-L123 HydrophobicContact CZ3-CD1 3.61Å; W120-L123 PolarHBondContact O-N 2.79Å; L121-L123 VanDerWaalsContact C-N 3.33Å; L121-L123 PolarHBondContact O-N 3.05Å; L123-Q126 PolarHBondContact O-N 3.05Å; L123-A127 WeakPolarHBondContact O-CB 3.48Å; L123-A127 PolarHBondContact O-N 3.48Å
124F97.2Very high93.8Very high0 Ų041.4 Ų41.40%023%0.232CC..Hα-helixtrans-61.7-43.2174-95.1-112.7000111.8F63 F81 L96 V113 L116 W120 L121 A127 F128 L135F63-F124 HydrophobicContact CD2-CZ 4.39Å; F63-F124 HydrophobicContact CE2-CE1 4.05Å; F63-F124 AromaticContact CE2-CZ 3.87Å; F63-F124 HydrophobicContact CE2-CZ 3.87Å; F81-F124 HydrophobicContact CB-CE2 4.09Å; F81-F124 HydrophobicContact CB-CZ 3.64Å; F81-F124 AromaticContact CD1-CE2 3.62Å; F81-F124 HydrophobicContact CD1-CE2 3.62Å; F81-F124 HydrophobicContact CD1-CZ 4.09Å; F81-F124 HydrophobicContact CD2-CE2 4.43Å; F81-F124 HydrophobicContact CD2-CZ 4.45Å; F81-F124 HydrophobicContact CE1-CE2 4.14Å; F81-F124 AromaticContact CG-CE2 3.77Å; F81-F124 HydrophobicContact CG-CE2 3.77Å; F81-F124 AromaticContact CG-CZ 3.8Å; F81-F124 HydrophobicContact CG-CZ 3.8Å; L96-F124 HydrophobicContact CD1-CD2 3.81Å; L96-F124 HydrophobicContact CD1-CE2 3.85Å; L96-F124 HydrophobicContact CD2-CE2 3.99Å; L96-F124 HydrophobicContact CD2-CZ 4.16Å; V113-F124 HydrophobicContact CG1-CE1 4.15Å; V113-F124 HydrophobicContact CG2-CD1 4.17Å; V113-F124 HydrophobicContact CG2-CE1 4Å; L116-F124 HydrophobicContact CD1-CD1 4.45Å; L116-F124 HydrophobicContact CD1-CD2 3.85Å; L116-F124 HydrophobicContact CD1-CE1 4.08Å; L116-F124 HydrophobicContact CD1-CE2 3.44Å; L116-F124 VanDerWaalsContact CD1-CE2 3.44Å; L116-F124 HydrophobicContact CD1-CG 4.34Å; L116-F124 HydrophobicContact CD1-CZ 3.57Å; L116-F124 HydrophobicContact CD2-CB 4.04Å; L116-F124 HydrophobicContact CD2-CD1 3.95Å; L116-F124 HydrophobicContact CD2-CD2 3.76Å; L116-F124 HydrophobicContact CD2-CE1 4.37Å; L116-F124 HydrophobicContact CD2-CE2 4.22Å; L116-F124 HydrophobicContact CD2-CG 3.62Å; L116-F124 HydrophobicContact CD2-CZ 4.5Å; L116-F124 HydrophobicContact CG-CD2 4.47Å; L116-F124 HydrophobicContact CG-CE2 4.5Å; W120-F124 HydrophobicContact CB-CD2 4.25Å; W120-F124 HydrophobicContact CB-CE2 4.5Å; W120-F124 PolarHBondContact O-N 3.45Å; L121-F124 WeakPolarHBondContact O-CB 3.45Å; L121-F124 PolarHBondContact O-N 3.41Å; F124-A127 PolarHBondContact O-N 3.18Å; F124-F128 HydrophobicContact CB-CD2 4.39Å; F124-F128 AromaticContact CD1-CD2 3.85Å; F124-F128 HydrophobicContact CD1-CD2 3.85Å; F124-F128 AromaticContact CD1-CE2 3.8Å; F124-F128 HydrophobicContact CD1-CE2 3.8Å; F124-F128 HydrophobicContact CE1-CD2 4.39Å; F124-F128 AromaticContact CE1-CE2 3.91Å; F124-F128 HydrophobicContact CE1-CE2 3.91Å; F124-F128 HydrophobicContact CG-CD2 4.23Å; F124-F128 HydrophobicContact CG-CE2 4.23Å; F124-F128 HydrophobicContact CZ-CE2 4.41Å; F124-F128 WeakPolarHBondContact O-CB 3.41Å; F124-F128 VanDerWaalsContact O-CD2 3.31Å; F124-F128 WeakPolarHBondContact O-CD2 3.5Å; F124-F128 PolarHBondContact O-N 2.91Å; F124-L135 HydrophobicContact CB-CD1 3.68Å
125Q96.2Very high93.9Very high81 Ų8141.9 Ų41.938%0.37923%0.234SC..Hα-helixtrans-60.2-47.9174.8-73172.8-34.500111.3L121 Q122 A127 C129 L135L121-Q125 HydrophobicContact CD1-CG 4.15Å; L121-Q125 HydrophobicContact CG-CG 4.43Å; L121-Q125 WeakPolarHBondContact O-CG 3.48Å; L121-Q125 PolarHBondContact O-N 2.86Å; Q122-Q125 PolarHBondContact O-N 2.86Å; Q125-A127 PolarHBondContact O-N 2.72Å; Q125-C129 WeakPolarHBondContact O-CB 3.22Å; Q125-C129 PolarHBondContact O-N 2.8Å; Q125-L135 HydrophobicContact CG-CB 4.5Å; Q125-L135 HydrophobicContact CG-CD1 4.01Å
126Q96.2Very high93.8Very high89 Ų8944.4 Ų44.442%0.41625%0.247SC..Hα-helixtrans-64.5-25.1178.3-72.4-178.951.700114.6L93 Q122 L123L93-Q126 HydrophobicContact CD1-CB 3.76Å; Q122-Q126 WeakPolarHBondContact O-CG 3.3Å; Q122-Q126 PolarHBondContact O-N 2.88Å; L123-Q126 PolarHBondContact O-N 3.05Å
127A95.8Very high93.7Very high6 Ų647.8 Ų47.85%0.0527%0.268CS..Hα-helixtrans-90.8-35.6-178.200000113.3L93 L96 R97 N100 L123 F124 Q125L93-A127 HydrophobicContact CD1-CB 4.12Å; L96-A127 HydrophobicContact CB-CB 3.46Å; L96-A127 VanDerWaalsContact CB-CB 3.46Å; L96-A127 HydrophobicContact CD1-CB 4.28Å; R97-A127 HydrophobicContact CG-CB 4.28Å; N100-A127 PolarHBondContact ND2-O 3.17Å; L123-A127 WeakPolarHBondContact O-CB 3.48Å; L123-A127 PolarHBondContact O-N 3.48Å; F124-A127 PolarHBondContact O-N 3.18Å; Q125-A127 PolarHBondContact O-N 2.72Å
128F94.9Very high93.4Very high0 Ų051.1 Ų51.10%029%0.285CS..Hα-helixtrans-120-20.8-167.3-60.6-72.5000114.9F63 L96 N100 F105 F111 F124 D130 L294F63-F128 HydrophobicContact CE2-CE2 4.25Å; F63-F128 AromaticContact CE2-CZ 3.86Å; F63-F128 HydrophobicContact CE2-CZ 3.86Å; F63-F128 HydrophobicContact CZ-CZ 4.04Å; L96-F128 HydrophobicContact CB-CE2 4.09Å; L96-F128 HydrophobicContact CB-CZ 4.17Å; L96-F128 HydrophobicContact CD1-CE2 4.49Å; L96-F128 HydrophobicContact CD2-CE2 4.08Å; L96-F128 HydrophobicContact CD2-CZ 4.21Å; L96-F128 HydrophobicContact CG-CE2 4.44Å; N100-F128 HydrophobicContact CB-CD1 3.68Å; N100-F128 HydrophobicContact CB-CE1 3.65Å; F105-F128 HydrophobicContact CD2-CD1 4.15Å; F105-F128 HydrophobicContact CD2-CE1 4.12Å; F105-F128 HydrophobicContact CE2-CD1 4.3Å; F105-F128 AromaticContact CE2-CE1 3.81Å; F105-F128 HydrophobicContact CE2-CE1 3.81Å; F111-F128 HydrophobicContact CE1-CB 4.28Å; F111-F128 AromaticContact CE1-CD1 3.65Å; F111-F128 HydrophobicContact CE1-CD1 3.65Å; F111-F128 HydrophobicContact CE1-CD2 4.5Å; F111-F128 HydrophobicContact CE1-CE1 4.07Å; F111-F128 AromaticContact CE1-CG 3.91Å; F111-F128 HydrophobicContact CE1-CG 3.91Å; F111-F128 HydrophobicContact CZ-CB 4.03Å; F111-F128 AromaticContact CZ-CD1 3.86Å; F111-F128 HydrophobicContact CZ-CD1 3.86Å; F111-F128 AromaticContact CZ-CD2 3.87Å; F111-F128 HydrophobicContact CZ-CD2 3.87Å; F111-F128 HydrophobicContact CZ-CE1 4.27Å; F111-F128 HydrophobicContact CZ-CE2 4.28Å; F111-F128 AromaticContact CZ-CG 3.65Å; F111-F128 HydrophobicContact CZ-CG 3.65Å; F111-F128 HydrophobicContact CZ-CZ 4.47Å; F124-F128 HydrophobicContact CB-CD2 4.39Å; F124-F128 AromaticContact CD1-CD2 3.85Å; F124-F128 HydrophobicContact CD1-CD2 3.85Å; F124-F128 AromaticContact CD1-CE2 3.8Å; F124-F128 HydrophobicContact CD1-CE2 3.8Å; F124-F128 HydrophobicContact CE1-CD2 4.39Å; F124-F128 AromaticContact CE1-CE2 3.91Å; F124-F128 HydrophobicContact CE1-CE2 3.91Å; F124-F128 HydrophobicContact CG-CD2 4.23Å; F124-F128 HydrophobicContact CG-CE2 4.23Å; F124-F128 HydrophobicContact CZ-CE2 4.41Å; F124-F128 WeakPolarHBondContact O-CB 3.41Å; F124-F128 VanDerWaalsContact O-CD2 3.31Å; F124-F128 WeakPolarHBondContact O-CD2 3.5Å; F124-F128 PolarHBondContact O-N 2.91Å; F128-D130 PolarHBondContact O-N 2.85Å; F128-D130 VanDerWaalsContact O-N 3.16Å; F128-L294 HydrophobicContact CB-CD1 4.13Å; F128-L294 HydrophobicContact CB-CD2 4.23Å
129C92.7Very high93.2Very high47 Ų4752 Ų5232%0.31829%0.285SS..  trans-83.592.4174-58.80000108.7Q125 L133 L135Q125-C129 WeakPolarHBondContact O-CB 3.22Å; Q125-C129 PolarHBondContact O-N 2.8Å; C129-L133 VanDerWaalsContact CA-O 3.29Å; C129-L133 WeakPolarHBondContact CA-O 3.43Å; C129-L133 WeakPolarHBondContact CB-O 3.49Å; C129-L135 PolarHBondContact SG-N 3.38Å; C129-L135 VanDerWaalsContact SG-N 3.41Å
130D83.4Confident93.3Very high124 Ų12450.6 Ų50.666%0.66328%0.282SS*.  trans-124.9139.8174.5-17014.8000109.6F128 L133F128-D130 PolarHBondContact O-N 2.85Å; F128-D130 VanDerWaalsContact O-N 3.16Å; D130-L133 PolarHBondContact O-N 3.48Å; D130-L133 VanDerWaalsContact O-N 3.16Å
131G84.8Confident93.3Very high69 Ų6950.6 Ų50.671%0.71128%0.282SS*.THydrogen-bonded Turntrans52.9-119.1-174.800000113.2L133G131-L133 VanDerWaalsContact C-N 3.34Å
132P86.8Confident93.3Very high56 Ų5650.1 Ų50.136%0.36428%0.279SS..THydrogen-bonded Turntrans-81.4-8.5-176.834.3-36000114.2E107 Q296 A297E107-P132 HydrophobicContact CG-CG 4.33Å; P132-Q296 WeakPolarHBondContact O-CA 3.46Å; P132-A297 PolarHBondContact O-N 3.34Å
133L89.7Confident93.3Very high17 Ų1743.8 Ų43.89%0.08925%0.25CC..EExtended strand (participates in β ladder)trans-82.1133.2-173.7-67.4173.4000111.8F105 C129 D130 G131 L294 S295 Q296F105-L133 WeakPolarHBondContact O-CD1 3.43Å; C129-L133 VanDerWaalsContact CA-O 3.29Å; C129-L133 WeakPolarHBondContact CA-O 3.43Å; C129-L133 WeakPolarHBondContact CB-O 3.49Å; D130-L133 PolarHBondContact O-N 3.48Å; D130-L133 VanDerWaalsContact O-N 3.16Å; G131-L133 VanDerWaalsContact C-N 3.34Å; L133-L294 HydrophobicContact CB-CD1 4.11Å; L133-L294 HydrophobicContact CB-CG 4.37Å; L133-L294 HydrophobicContact CD1-CD2 4.25Å; L133-S295 WeakPolarHBondContact CA-O 3.26Å; L133-Q296 HydrophobicContact CD2-CG 4.3Å
134V92.3Very high93.4Very high49 Ų4944 Ų4430%0.29725%0.25SS..EExtended strand (participates in β ladder)trans-133.2148.6177.9-61.70000111.1L294 S295 A297V134-L294 WeakPolarHBondContact O-CA 3.43Å; V134-S295 PolarHBondContact N-O 3.17Å; V134-S295 PolarHBondContact O-N 2.49Å; V134-A297 HydrophobicContact CG1-CB 4.07Å; V134-A297 HydrophobicContact CG2-CB 4.08Å
135L94.2Very high93.4Very high14 Ų1445 Ų457%0.07325%0.253CS..EExtended strand (participates in β ladder)trans-88.5106171.2-77.2166.2000110.3F111 F124 Q125 C129 L292 Q293 L294F111-L135 HydrophobicContact CE2-CD2 4.13Å; F111-L135 HydrophobicContact CZ-CD2 4.47Å; F124-L135 HydrophobicContact CB-CD1 3.68Å; Q125-L135 HydrophobicContact CG-CB 4.5Å; Q125-L135 HydrophobicContact CG-CD1 4.01Å; C129-L135 PolarHBondContact SG-N 3.38Å; C129-L135 VanDerWaalsContact SG-N 3.41Å; L135-L292 HydrophobicContact CD2-CB 4.18Å; L135-L292 HydrophobicContact CD2-CD1 4.48Å; L135-Q293 WeakPolarHBondContact CA-O 3.31Å; L135-L294 HydrophobicContact CD2-CB 3.84Å; L135-L294 HydrophobicContact CD2-CD1 3.93Å; L135-L294 HydrophobicContact CG-CD1 3.86Å
136N93.5Very high93.4Very high57 Ų5741.2 Ų41.231%0.30524%0.236SC..EExtended strand (participates in β ladder)trans-81.5124.3174.5-69.3-60.6000110.7L138 L292 Q293 S295N136-L138 PolarHBondContact O-N 3.1Å; N136-L292 CarbonylContact O-C 3.58Å; N136-L292 VanDerWaalsContact O-CA 3.3Å; N136-L292 WeakPolarHBondContact O-CA 2.85Å; N136-Q293 PolarHBondContact N-O 2.59Å; N136-Q293 PolarHBondContact O-N 2.74Å; N136-S295 PolarHBondContact ND2-OG 2.86Å
137V93.4Very high93.4Very high74 Ų7437 Ų3745%0.44822%0.216SC..EExtended strand (participates in β ladder)trans-79.6107173.2-177.70000109Y290 L292V137-Y290 HydrophobicContact CG1-CD1 3.44Å; V137-Y290 VanDerWaalsContact CG1-CD1 3.44Å; V137-Y290 HydrophobicContact CG1-CE1 3.75Å; V137-Y290 HydrophobicContact CG1-CG 4.15Å; V137-L292 HydrophobicContact CB-CD2 4.15Å; V137-L292 HydrophobicContact CG1-CD2 4.4Å; V137-L292 HydrophobicContact CG2-CD2 3.66Å
138L91Very high93.4Very high75 Ų7539.5 Ų39.539%0.39323%0.232SC..EExtended strand (participates in β ladder)trans-77.7-48.2178.7-56.6-176.9000110.9N136 W291 Q293N136-L138 PolarHBondContact O-N 3.1Å; L138-W291 HydrophobicContact CB-CB 4.26Å; L138-W291 WeakPolarHBondContact CB-O 3Å; L138-W291 PolarHBondContact N-O 3.45Å; L138-Q293 HydrophobicContact CD1-CB 4.14Å; L138-Q293 HydrophobicContact CD2-CB 4.26Å; L138-Q293 HydrophobicContact CG-CB 4.28Å
139K93.3Very high93.4Very high59 Ų5945.9 Ų45.926%0.25726%0.262SS..EExtended strand (participates in β ladder)trans-152.5144.4179.4-72.1-61.7177.6179.40111.5M141 V266 D268 Y290 W291K139-M141 HydrophobicContact CB-CG 4.43Å; K139-V266 HydrophobicContact CB-CG1 4.05Å; K139-V266 HydrophobicContact CD-CG1 4.15Å; K139-V266 HydrophobicContact CG-CG1 4Å; K139-D268 IonicContact NZ-OD2 3.16Å; K139-D268 PolarHBondContact NZ-OD2 3.41Å; K139-D268 VanDerWaalsContact NZ-OD2 3.16Å; K139-Y290 VanDerWaalsContact O-CA 3.31Å; K139-Y290 WeakPolarHBondContact O-CA 3.49Å; K139-W291 PolarHBondContact N-O 3.3Å; K139-W291 PolarHBondContact O-N 3.38Å
140E96.2Very high93.5Very high66 Ų6646.4 Ų46.431%0.30826%0.257SS..EExtended strand (participates in β ladder)trans-99137.6163.2-167.4178.5169.300109.8V266 L267 H288 Y290E140-V266 WeakPolarHBondContact O-CA 3.31Å; E140-L267 HydrophobicContact CB-CD1 4.04Å; E140-L267 HydrophobicContact CB-CG 4.38Å; E140-L267 VanDerWaalsContact CD-CD1 3.47Å; E140-L267 HydrophobicContact CG-CD1 3.7Å; E140-L267 HydrophobicContact CG-CG 4.28Å; E140-L267 PolarHBondContact O-N 3.38Å; E140-H288 HydrophobicContact CG-CB 4.32Å; E140-H288 IonicContact OE1-CE1 3.76Å; E140-H288 IonicContact OE1-CG 2.95Å; E140-H288 IonicContact OE1-ND1 2.66Å; E140-H288 PolarHBondContact OE1-ND1 3.38Å; E140-Y290 HydrophobicContact CB-CD1 3.87Å; E140-Y290 HydrophobicContact CB-CE1 3.7Å; E140-Y290 HydrophobicContact CG-CD1 3.96Å; E140-Y290 HydrophobicContact CG-CE1 3.59Å
141M96.5Very high94.1Very high3 Ų343.2 Ų43.22%0.01524%0.24CC..EExtended strand (participates in β ladder)trans-136.6141.6-171.3-59.7170.7-63.500110.8K139 H264 V265 V266 H288 S289 W291K139-M141 HydrophobicContact CB-CG 4.43Å; M141-H264 HydrophobicContact CB-CB 4.09Å; M141-H264 HydrophobicContact CE-CB 4.42Å; M141-H264 HydrophobicContact CG-CB 4.27Å; M141-H264 HydrophobicContact SD-CB 3.58Å; M141-H264 VanDerWaalsContact SD-CB 3.58Å; M141-V265 CarbonylContact C-O 3.57Å; M141-V265 WeakPolarHBondContact CA-O 3.24Å; M141-V266 HydrophobicContact CG-CG1 3.8Å; M141-V266 HydrophobicContact SD-CG1 4.43Å; M141-H288 CarbonylContact O-C 3.59Å; M141-H288 VanDerWaalsContact O-CA 3.25Å; M141-H288 WeakPolarHBondContact O-CA 3.46Å; M141-S289 PolarHBondContact N-O 3.49Å; M141-S289 PolarHBondContact O-N 3.34Å; M141-W291 HydrophobicContact CE-CB 4.21Å; M141-W291 HydrophobicContact CE-CD2 4.04Å; M141-W291 HydrophobicContact CE-CG 3.64Å; M141-W291 HydrophobicContact SD-CD2 4.02Å; M141-W291 HydrophobicContact SD-CE3 4.46Å; M141-W291 HydrophobicContact SD-CG 4.24Å
142Q97.2Very high94.6Very high17 Ų1744.6 Ų44.68%0.07924%0.237CC..EExtended strand (participates in β ladder)trans-84.4130.1164.3179.962.983.700109.2Y144 V265 L267 L273 N284 F287 H288Q142-Y144 HydrophobicContact CB-CE2 3.87Å; Q142-Y144 HydrophobicContact CG-CD2 3.93Å; Q142-Y144 HydrophobicContact CG-CE1 4.41Å; Q142-Y144 HydrophobicContact CG-CE2 3.24Å; Q142-V265 PolarHBondContact N-O 3.47Å; Q142-V265 PolarHBondContact O-N 3.17Å; Q142-L267 HydrophobicContact CB-CD2 4.02Å; Q142-L273 HydrophobicContact CB-CD2 4.24Å; Q142-N284 PolarHBondContact NE2-ND2 3.39Å; Q142-N284 PolarHBondContact NE2-OD1 3.03Å; Q142-N284 PolarHBondContact OE1-ND2 3.16Å; Q142-F287 PolarHBondContact NE2-O 3.24Å; Q142-H288 PolarHBondContact OE1-CD2 3.25Å; Q142-H288 VanDerWaalsContact OE1-CD2 3.26Å; Q142-H288 PolarHBondContact OE1-NE2 2.79Å
143V97.2Very high95Very high0 Ų045.7 Ų45.70%024%0.237CC..EExtended strand (participates in β ladder)trans-91.7131.5176.5-170.60000110.2Y262 A285 F287 S289V143-Y262 HydrophobicContact CG1-CD2 4.48Å; V143-A285 HydrophobicContact CB-CB 3.9Å; V143-A285 HydrophobicContact CG1-CB 3.85Å; V143-A285 PolarHBondContact O-N 2.83Å; V143-F287 HydrophobicContact CB-CE2 4.06Å; V143-F287 HydrophobicContact CB-CZ 4.2Å; V143-F287 HydrophobicContact CG1-CE2 4.34Å; V143-F287 HydrophobicContact CG1-CZ 4.12Å; V143-F287 HydrophobicContact CG2-CD2 3.98Å; V143-F287 HydrophobicContact CG2-CE2 3.56Å; V143-F287 HydrophobicContact CG2-CZ 4.18Å; V143-S289 WeakPolarHBondContact CG2-OG 3.11Å
144Y98Very high95.4Very high22 Ų2244.9 Ų44.99%0.08623%0.233CC..EExtended strand (participates in β ladder)trans-125.8146.9171.6-65-92.8000110.1Q142 Y262 K263 V265 L273 T276 W282 Q283 N284Q142-Y144 HydrophobicContact CB-CE2 3.87Å; Q142-Y144 HydrophobicContact CG-CD2 3.93Å; Q142-Y144 HydrophobicContact CG-CE1 4.41Å; Q142-Y144 HydrophobicContact CG-CE2 3.24Å; Y144-Y262 CarbonylContact O-C 3.56Å; Y144-Y262 VanDerWaalsContact O-CA 3.25Å; Y144-Y262 WeakPolarHBondContact O-CA 3.33Å; Y144-Y262 WeakPolarHBondContact O-CB 3.4Å; Y144-K263 PolarHBondContact N-O 2.96Å; Y144-K263 PolarHBondContact O-N 3Å; Y144-V265 HydrophobicContact CD2-CG2 4Å; Y144-V265 HydrophobicContact CE2-CB 4.37Å; Y144-V265 HydrophobicContact CE2-CG2 4.1Å; Y144-L273 HydrophobicContact CE2-CD2 4.27Å; Y144-T276 HydrophobicContact CD1-CG2 3.48Å; Y144-T276 VanDerWaalsContact CD1-CG2 3.48Å; Y144-T276 HydrophobicContact CD2-CG2 3.63Å; Y144-T276 HydrophobicContact CE1-CG2 3.71Å; Y144-T276 HydrophobicContact CE2-CG2 3.81Å; Y144-T276 HydrophobicContact CG-CG2 3.44Å; Y144-T276 VanDerWaalsContact CG-CG2 3.44Å; Y144-W282 HydrophobicContact CD1-CB 4.36Å; Y144-Q283 CarbonylContact C-O 3.5Å; Y144-Q283 VanDerWaalsContact CA-O 3.26Å; Y144-Q283 WeakPolarHBondContact CA-O 3.48Å; Y144-N284 HydrophobicContact CD1-CB 4.29Å; Y144-N284 HydrophobicContact CE1-CB 4.09Å
145W97.8Very high95.5Very high19 Ų1945 Ų457%0.07223%0.232CC..EExtended strand (participates in β ladder)trans-139.8162.3178.377-53.2000111.2L21 P22 I25 P147 I260 P261 W282 Q283L21-W145 HydrophobicContact CB-CH2 4.15Å; L21-W145 HydrophobicContact CB-CZ3 4.01Å; L21-W145 HydrophobicContact CD1-CZ3 4.42Å; P22-W145 HydrophobicContact CB-CD2 3.65Å; P22-W145 HydrophobicContact CB-CE3 4.12Å; P22-W145 HydrophobicContact CB-CG 3.92Å; P22-W145 HydrophobicContact CB-CH2 4.42Å; P22-W145 HydrophobicContact CB-CZ2 3.99Å; P22-W145 HydrophobicContact CB-CZ3 4.48Å; P22-W145 HydrophobicContact CG-CD2 4.44Å; P22-W145 HydrophobicContact CG-CZ2 4.1Å; I25-W145 HydrophobicContact CD1-CB 3.6Å; I25-W145 HydrophobicContact CD1-CD2 4.37Å; I25-W145 HydrophobicContact CD1-CE3 3.94Å; I25-W145 HydrophobicContact CD1-CG 4.29Å; W145-P147 HydrophobicContact CD2-CG 4.38Å; W145-P147 HydrophobicContact CH2-CB 4.24Å; W145-P147 HydrophobicContact CZ2-CB 4.07Å; W145-P147 HydrophobicContact CZ2-CG 3.99Å; W145-P147 WeakPolarHBondContact O-CD 3.41Å; W145-I260 HydrophobicContact CE3-CG2 3.79Å; W145-I260 HydrophobicContact CZ3-CG2 4.21Å; W145-P261 CarbonylContact C-O 3.5Å; W145-P261 WeakPolarHBondContact CA-O 3.49Å; W145-W282 VanDerWaalsContact C-CE3 3.44Å; W145-Q283 PolarHBondContact N-O 3.02Å; W145-Q283 PolarHBondContact O-N 3.37Å
146L97.6Very high95.6Very high2 Ų247.8 Ų47.81%0.0125%0.253CS..  trans-101.9103.6171.917971.6000108.4R150 L154 T255 P261 L281 W282L146-R150 HydrophobicContact CD1-CB 3.8Å; L146-L154 HydrophobicContact CD2-CD2 3.79Å; L146-T255 HydrophobicContact CD2-CG2 3.89Å; L146-P261 HydrophobicContact CB-CB 4.1Å; L146-P261 HydrophobicContact CB-CG 4.24Å; L146-P261 HydrophobicContact CD2-CB 4.48Å; L146-P261 HydrophobicContact CD2-CG 3.86Å; L146-P261 PolarHBondContact N-O 2.87Å; L146-L281 HydrophobicContact CD1-CB 3.9Å; L146-L281 WeakPolarHBondContact CD1-O 3.36Å; L146-W282 HydrophobicContact CB-CZ3 4.29Å
147P96.3Very high95.6Very high0 Ų047.3 Ų47.30%025%0.252CS..  trans-59.1142.5175.9-2130.7000111.8W145 E149 R150 Q283W145-P147 HydrophobicContact CD2-CG 4.38Å; W145-P147 HydrophobicContact CH2-CB 4.24Å; W145-P147 HydrophobicContact CZ2-CB 4.07Å; W145-P147 HydrophobicContact CZ2-CG 3.99Å; W145-P147 WeakPolarHBondContact O-CD 3.41Å; P147-E149 HydrophobicContact CB-CG 4.13Å; P147-E149 WeakPolarHBondContact CB-OE1 3.29Å; P147-E149 WeakPolarHBondContact CB-OE2 3.5Å; P147-E149 PolarHBondContact O-N 2.97Å; P147-E149 VanDerWaalsContact O-N 3.14Å; P147-R150 PolarHBondContact O-N 3.49Å; P147-Q283 HydrophobicContact CG-CB 3.75Å; P147-Q283 HydrophobicContact CG-CG 4.37Å
148P94Very high95.6Very high59 Ų5944.8 Ų44.838%0.38324%0.236SC..G310 helixtrans-54-33.9-179.5-27.935.7000114.2R150 I151 I260P148-R150 PolarHBondContact O-N 2.97Å; P148-R150 VanDerWaalsContact O-N 3.14Å; P148-I151 HydrophobicContact CB-CD1 4.41Å; P148-I151 WeakPolarHBondContact O-CB 3.42Å; P148-I151 WeakPolarHBondContact O-CD1 3.41Å; P148-I151 VanDerWaalsContact O-CG1 3.26Å; P148-I151 WeakPolarHBondContact O-CG1 3.44Å; P148-I151 PolarHBondContact O-N 3.29Å; P148-I260 HydrophobicContact CG-CD1 4.48Å
149E95Very high95.6Very high134 Ų13448.7 Ų48.763%0.62625%0.252SS*.G310 helixtrans-63.7-16.8177.765-88.8-157.300113.8P147P147-E149 HydrophobicContact CB-CG 4.13Å; P147-E149 WeakPolarHBondContact CB-OE1 3.29Å; P147-E149 WeakPolarHBondContact CB-OE2 3.5Å; P147-E149 PolarHBondContact O-N 2.97Å; P147-E149 VanDerWaalsContact O-N 3.14Å
150R95.9Very high95.6Very high59 Ų5949.5 Ų49.522%0.22327%0.27CS..G310 helixtrans-94.21.7178.3-61.1-168.2-175.6176.8-6.7114L146 P147 P148 C152 E153 L154 K280 L281 W282L146-R150 HydrophobicContact CD1-CB 3.8Å; P147-R150 PolarHBondContact O-N 3.49Å; P148-R150 PolarHBondContact O-N 2.97Å; P148-R150 VanDerWaalsContact O-N 3.14Å; R150-C152 VanDerWaalsContact C-N 3.34Å; R150-C152 PolarHBondContact O-N 2.97Å; R150-E153 PolarHBondContact O-N 3.46Å; R150-L154 PolarHBondContact O-N 2.85Å; R150-K280 PolarHBondContact NH1-O 3.19Å; R150-L281 WeakPolarHBondContact CD-O 3.44Å; R150-L281 VanDerWaalsContact NH1-C 3.29Å; R150-L281 PolarHBondContact NH1-O 3.28Å; R150-W282 VanDerWaalsContact NH1-C 3.29Å; R150-W282 PolarHBondContact NH1-O 3.43Å
151I95.4Very high95.2Very high57 Ų5748.5 Ų48.529%0.29227%0.266SS..Hα-helixtrans-63.4-39.4-179-67.2170.9000111.7P148 L154 N155 T255P148-I151 HydrophobicContact CB-CD1 4.41Å; P148-I151 WeakPolarHBondContact O-CB 3.42Å; P148-I151 WeakPolarHBondContact O-CD1 3.41Å; P148-I151 VanDerWaalsContact O-CG1 3.26Å; P148-I151 WeakPolarHBondContact O-CG1 3.44Å; P148-I151 PolarHBondContact O-N 3.29Å; I151-L154 WeakPolarHBondContact O-CB 3.42Å; I151-L154 PolarHBondContact O-N 2.82Å; I151-N155 PolarHBondContact O-N 3.23Å; I151-N155 PolarHBondContact O-ND2 3.32Å; I151-T255 HydrophobicContact CD1-CG2 4.34Å; I151-T255 HydrophobicContact CG1-CG2 4.05Å
152C95.3Very high94.7Very high98 Ų9857.2 Ų57.266%0.66231%0.307SS*.Hα-helixtrans-62.5-43.9175.4-67.60000111.5R150 L154 N155 S156R150-C152 VanDerWaalsContact C-N 3.34Å; R150-C152 PolarHBondContact O-N 2.97Å; C152-L154 VanDerWaalsContact C-N 3.33Å; C152-L154 PolarHBondContact O-N 3.03Å; C152-N155 PolarHBondContact O-N 3.46Å; C152-S156 PolarHBondContact O-N 2.9Å; C152-S156 PolarHBondContact O-OG 3.41Å
153E96.2Very high94Very high78 Ų7859.8 Ų59.836%0.36432%0.318SS..Hα-helixtrans-62.8-39.6176.5-169.8-175.3174.500111.6R150 N155 S156 T157 L281R150-E153 PolarHBondContact O-N 3.46Å; E153-N155 PolarHBondContact O-N 3.01Å; E153-S156 PolarHBondContact O-N 3.41Å; E153-T157 VanDerWaalsContact O-CB 3.3Å; E153-T157 WeakPolarHBondContact O-CB 3.26Å; E153-T157 PolarHBondContact O-N 2.82Å; E153-T157 PolarHBondContact O-OG1 3.39Å; E153-L281 HydrophobicContact CB-CD2 3.88Å; E153-L281 HydrophobicContact CG-CD2 3.74Å
154L96.6Very high93.7Very high0 Ų062.2 Ų62.20%033%0.331CS..Hα-helixtrans-57.2-49.6173.5170.368.3000111L146 R150 I151 C152 T157 I158 L248 L251 T255 L281L146-L154 HydrophobicContact CD2-CD2 3.79Å; R150-L154 PolarHBondContact O-N 2.85Å; I151-L154 WeakPolarHBondContact O-CB 3.42Å; I151-L154 PolarHBondContact O-N 2.82Å; C152-L154 VanDerWaalsContact C-N 3.33Å; C152-L154 PolarHBondContact O-N 3.03Å; L154-T157 WeakPolarHBondContact O-CB 3.35Å; L154-T157 PolarHBondContact O-N 3.01Å; L154-I158 HydrophobicContact CD1-CD1 3.76Å; L154-I158 HydrophobicContact CD1-CG1 4.25Å; L154-I158 HydrophobicContact CG-CD1 4.01Å; L154-I158 WeakPolarHBondContact O-CG1 3.44Å; L154-I158 PolarHBondContact O-N 2.83Å; L154-L248 HydrophobicContact CD1-CD2 3.92Å; L154-L251 HydrophobicContact CD1-CB 3.92Å; L154-L251 HydrophobicContact CD1-CD1 4.16Å; L154-L251 HydrophobicContact CD2-CB 3.79Å; L154-T255 HydrophobicContact CD2-CG2 3.9Å; L154-L281 HydrophobicContact CB-CD1 4.33Å; L154-L281 HydrophobicContact CB-CD2 4.22Å; L154-L281 HydrophobicContact CD1-CD1 3.79Å
155N95Very high93.5Very high51 Ų5169.9 Ų69.927%0.27337%0.365SS..Hα-helixtrans-61.9-47.5-178.2-71.9-30.3000111.4I151 C152 E153 T157 I158 E159I151-N155 PolarHBondContact O-N 3.23Å; I151-N155 PolarHBondContact O-ND2 3.32Å; C152-N155 PolarHBondContact O-N 3.46Å; E153-N155 PolarHBondContact O-N 3.01Å; N155-T157 VanDerWaalsContact C-N 3.3Å; N155-T157 PolarHBondContact O-N 2.8Å; N155-I158 PolarHBondContact O-N 3.28Å; N155-E159 WeakPolarHBondContact O-CG 3.38Å; N155-E159 PolarHBondContact O-N 3.27Å
156S95.2Very high93.4Very high73 Ų7375.5 Ų75.551%0.5139%0.386SS..Hα-helixtrans-62.1-37.6175.9-58.40000112.6C152 E153 I158 E159 A160C152-S156 PolarHBondContact O-N 2.9Å; C152-S156 PolarHBondContact O-OG 3.41Å; E153-S156 PolarHBondContact O-N 3.41Å; S156-I158 VanDerWaalsContact C-N 3.32Å; S156-I158 PolarHBondContact O-N 3.29Å; S156-E159 PolarHBondContact O-N 2.78Å; S156-A160 WeakPolarHBondContact O-CB 3.23Å; S156-A160 PolarHBondContact O-N 3.3Å
157T94.7Very high93.4Very high48 Ų4875.9 Ų75.929%0.29439%0.388SS..Hα-helixtrans-63.3-39.1176.9-60.50000111.5E153 L154 N155 L161 L248 L281E153-T157 VanDerWaalsContact O-CB 3.3Å; E153-T157 WeakPolarHBondContact O-CB 3.26Å; E153-T157 PolarHBondContact O-N 2.82Å; E153-T157 PolarHBondContact O-OG1 3.39Å; L154-T157 WeakPolarHBondContact O-CB 3.35Å; L154-T157 PolarHBondContact O-N 3.01Å; N155-T157 VanDerWaalsContact C-N 3.3Å; N155-T157 PolarHBondContact O-N 2.8Å; T157-L161 HydrophobicContact CG2-CD1 4.33Å; T157-L161 PolarHBondContact O-N 2.91Å; T157-L248 HydrophobicContact CG2-CD1 4.06Å; T157-L281 HydrophobicContact CG2-CD1 4.47Å
158I92.6Very high93.5Very high20 Ų2079.3 Ų79.310%0.10340%0.401CS..Hα-helixtrans-71.4-42.2178.8-69.6170.7000111.5L154 N155 S156 A160 L161 L248 Q252L154-I158 HydrophobicContact CD1-CD1 3.76Å; L154-I158 HydrophobicContact CD1-CG1 4.25Å; L154-I158 HydrophobicContact CG-CD1 4.01Å; L154-I158 WeakPolarHBondContact O-CG1 3.44Å; L154-I158 PolarHBondContact O-N 2.83Å; N155-I158 PolarHBondContact O-N 3.28Å; S156-I158 VanDerWaalsContact C-N 3.32Å; S156-I158 PolarHBondContact O-N 3.29Å; I158-A160 VanDerWaalsContact C-N 3.27Å; I158-A160 PolarHBondContact O-N 3Å; I158-L161 VanDerWaalsContact O-CB 3.23Å; I158-L161 WeakPolarHBondContact O-CB 3.35Å; I158-L161 PolarHBondContact O-N 3.06Å; I158-L248 WeakPolarHBondContact CD1-O 3.5Å; I158-L248 HydrophobicContact CG1-CB 4.22Å; I158-Q252 HydrophobicContact CD1-CB 3.42Å; I158-Q252 VanDerWaalsContact CD1-CB 3.42Å; I158-Q252 HydrophobicContact CD1-CG 3.62Å
159E91.9Very high93.6Very high158 Ų15879.5 Ų79.574%0.73840%0.401SS*.Hα-helixtrans-62.1-37.1177-72.8172.4-175.400112N155 S156 L161N155-E159 WeakPolarHBondContact O-CG 3.38Å; N155-E159 PolarHBondContact O-N 3.27Å; S156-E159 PolarHBondContact O-N 2.78Å; E159-L161 VanDerWaalsContact C-N 3.25Å; E159-L161 PolarHBondContact O-N 3.31Å
160A92Very high93.7Very high76 Ų7674.9 Ų74.963%0.62838%0.38SS*.THydrogen-bonded Turntrans-77.5-8.6175.600000113.6S156 I158 Q162S156-A160 WeakPolarHBondContact O-CB 3.23Å; S156-A160 PolarHBondContact O-N 3.3Å; I158-A160 VanDerWaalsContact C-N 3.27Å; I158-A160 PolarHBondContact O-N 3Å; A160-Q162 PolarHBondContact O-N 2.73Å
161L88.5Confident93.7Very high45 Ų4574.8 Ų74.824%0.23639%0.387CS..  trans-74.4113.3-171.2-142115.3000110.8T157 I158 E159 F163 A245 L248T157-L161 HydrophobicContact CG2-CD1 4.33Å; T157-L161 PolarHBondContact O-N 2.91Å; I158-L161 VanDerWaalsContact O-CB 3.23Å; I158-L161 WeakPolarHBondContact O-CB 3.35Å; I158-L161 PolarHBondContact O-N 3.06Å; E159-L161 VanDerWaalsContact C-N 3.25Å; E159-L161 PolarHBondContact O-N 3.31Å; L161-F163 HydrophobicContact CB-CZ 4.33Å; L161-F163 HydrophobicContact CD2-CD1 3.58Å; L161-F163 HydrophobicContact CD2-CE1 3.09Å; L161-F163 HydrophobicContact CD2-CE2 4.37Å; L161-F163 HydrophobicContact CD2-CG 4.39Å; L161-F163 HydrophobicContact CD2-CZ 3.55Å; L161-F163 HydrophobicContact CG-CE1 4.43Å; L161-F163 PolarHBondContact O-N 2.78Å; L161-A245 HydrophobicContact CD2-CB 3.89Å; L161-L248 HydrophobicContact CD1-CD1 3.4Å
162Q86.6Confident93.9Very high186 Ų18672.5 Ų72.587%0.86938%0.375SS*.  trans-89.8104171.2-65.7-158.9-1500110A160A160-Q162 PolarHBondContact O-N 2.73Å
163F83.1Confident93.9Very high70 Ų7072.2 Ų72.231%0.30736%0.36SS..  trans-68.6142.3174.4-58.8-72.9000111L161 K165 V169 F207 A245 L249L161-F163 HydrophobicContact CB-CZ 4.33Å; L161-F163 HydrophobicContact CD2-CD1 3.58Å; L161-F163 HydrophobicContact CD2-CE1 3.09Å; L161-F163 HydrophobicContact CD2-CE2 4.37Å; L161-F163 HydrophobicContact CD2-CG 4.39Å; L161-F163 HydrophobicContact CD2-CZ 3.55Å; L161-F163 HydrophobicContact CG-CE1 4.43Å; L161-F163 PolarHBondContact O-N 2.78Å; F163-K165 PolarHBondContact O-N 3.37Å; F163-K165 VanDerWaalsContact O-N 3.14Å; F163-V169 HydrophobicContact CE1-CG2 4.4Å; F163-V169 HydrophobicContact CE2-CG2 4.43Å; F163-V169 HydrophobicContact CZ-CG2 4.3Å; F163-F207 AromaticContact CD1-CE1 3.62Å; F163-F207 HydrophobicContact CD1-CE1 3.62Å; F163-F207 AromaticContact CD1-CZ 3.42Å; F163-F207 HydrophobicContact CD1-CZ 3.42Å; F163-F207 VanDerWaalsContact CD1-CZ 3.42Å; F163-F207 HydrophobicContact CE1-CE1 4Å; F163-F207 AromaticContact CE1-CZ 3.49Å; F163-F207 HydrophobicContact CE1-CZ 3.49Å; F163-F207 VanDerWaalsContact CE1-CZ 3.49Å; F163-F207 HydrophobicContact CG-CE1 4.32Å; F163-F207 HydrophobicContact CG-CZ 4.5Å; F163-A245 HydrophobicContact CD1-CB 4.48Å; F163-A245 HydrophobicContact CE1-CB 4.24Å; F163-L249 HydrophobicContact CE1-CD1 4.06Å; F163-L249 HydrophobicContact CE1-CG 4.42Å; F163-L249 HydrophobicContact CZ-CD1 4.21Å; F163-L249 HydrophobicContact CZ-CD2 3.91Å; F163-L249 HydrophobicContact CZ-CG 4.28Å
164D89.6Confident93.9Very high51 Ų5173.3 Ų73.327%0.27337%0.365SS..  trans-58.9119167.1-178-30.7000109.4R166 F167D164-R166 PolarHBondContact O-N 3.34Å; D164-R166 VanDerWaalsContact OD1-CB 3.26Å; D164-R166 WeakPolarHBondContact OD1-CB 3.37Å; D164-R166 VanDerWaalsContact OD1-CG 3.26Å; D164-R166 WeakPolarHBondContact OD1-CG 3.28Å; D164-R166 IonicContact OD1-CZ 3.98Å; D164-R166 PolarHBondContact OD1-N 3.45Å; D164-R166 IonicContact OD1-NE 3.01Å; D164-R166 PolarHBondContact OD1-NE 3.08Å; D164-R166 IonicContact OD2-CZ 3.2Å; D164-R166 IonicContact OD2-NE 2.99Å; D164-R166 PolarHBondContact OD2-NE 3.28Å; D164-R166 IonicContact OD2-NH2 2.62Å; D164-R166 PolarHBondContact OD2-NH2 3.2Å; D164-F167 HydrophobicContact CB-CD2 3.89Å; D164-F167 HydrophobicContact CB-CE2 4.2Å; D164-F167 PolarHBondContact O-N 2.91Å
165K94Very high93.9Very high183 Ų18380 Ų8080%0.79640%0.396SS*.THydrogen-bonded Turntrans-61-15.1-172.2-65.8-177.9179.8178.90113.6F163 F167 K210F163-K165 PolarHBondContact O-N 3.37Å; F163-K165 VanDerWaalsContact O-N 3.14Å; K165-F167 PolarHBondContact O-N 3.15Å; K165-K210 VanDerWaalsContact O-CD 3.27Å; K165-K210 WeakPolarHBondContact O-CD 3.21Å; K165-K210 VanDerWaalsContact O-CE 3.29Å; K165-K210 WeakPolarHBondContact O-CE 3.32Å; K165-K210 PolarHBondContact O-NZ 2.83Å
166R96.7Very high94Very high138 Ų13878.2 Ų78.252%0.52139%0.387SS..THydrogen-bonded Turntrans-68.4-19.3174.4-64178.4-70.1175.8-1.8113D164 K210D164-R166 PolarHBondContact O-N 3.34Å; D164-R166 VanDerWaalsContact OD1-CB 3.26Å; D164-R166 WeakPolarHBondContact OD1-CB 3.37Å; D164-R166 VanDerWaalsContact OD1-CG 3.26Å; D164-R166 WeakPolarHBondContact OD1-CG 3.28Å; D164-R166 IonicContact OD1-CZ 3.98Å; D164-R166 PolarHBondContact OD1-N 3.45Å; D164-R166 IonicContact OD1-NE 3.01Å; D164-R166 PolarHBondContact OD1-NE 3.08Å; D164-R166 IonicContact OD2-CZ 3.2Å; D164-R166 IonicContact OD2-NE 2.99Å; D164-R166 PolarHBondContact OD2-NE 3.28Å; D164-R166 IonicContact OD2-NH2 2.62Å; D164-R166 PolarHBondContact OD2-NH2 3.2Å; R166-K210 WeakPolarHBondContact O-CB 3.44Å; R166-K210 PolarHBondContact O-N 3.14Å
167F97.7Very high94.1Very high9 Ų974.7 Ų74.74%0.03936%0.362CS..EExtended strand (participates in β ladder)trans-116.3162-178.3-50.5-81.2000111.2D164 K165 F207 R208 K210 A216 F237 L240 L242D164-F167 HydrophobicContact CB-CD2 3.89Å; D164-F167 HydrophobicContact CB-CE2 4.2Å; D164-F167 PolarHBondContact O-N 2.91Å; K165-F167 PolarHBondContact O-N 3.15Å; F167-F207 HydrophobicContact CB-CB 4.33Å; F167-F207 HydrophobicContact CB-CD1 3.96Å; F167-F207 HydrophobicContact CB-CG 4.44Å; F167-R208 CarbonylContact C-O 3.53Å; F167-R208 WeakPolarHBondContact CA-O 3.41Å; F167-K210 VanDerWaalsContact O-CE 3.3Å; F167-K210 WeakPolarHBondContact O-CE 3.31Å; F167-A216 HydrophobicContact CD1-CB 3.63Å; F167-A216 HydrophobicContact CE1-CB 3.61Å; F167-F237 HydrophobicContact CE1-CB 4.42Å; F167-F237 AromaticContact CE1-CD1 3.57Å; F167-F237 HydrophobicContact CE1-CD1 3.57Å; F167-F237 AromaticContact CE1-CE1 3.93Å; F167-F237 HydrophobicContact CE1-CE1 3.93Å; F167-F237 HydrophobicContact CE1-CG 4.04Å; F167-F237 HydrophobicContact CZ-CB 4.35Å; F167-F237 AromaticContact CZ-CD1 3.69Å; F167-F237 HydrophobicContact CZ-CD1 3.69Å; F167-F237 HydrophobicContact CZ-CE1 4.35Å; F167-F237 HydrophobicContact CZ-CG 4.28Å; F167-L240 HydrophobicContact CE2-CD1 3.95Å; F167-L240 HydrophobicContact CZ-CD1 3.88Å; F167-L242 HydrophobicContact CD1-CD1 4.33Å; F167-L242 HydrophobicContact CD2-CD1 4.3Å; F167-L242 HydrophobicContact CD2-CD2 3.88Å; F167-L242 HydrophobicContact CE1-CD1 4.07Å; F167-L242 HydrophobicContact CE2-CD1 4.02Å; F167-L242 HydrophobicContact CE2-CD2 4.21Å; F167-L242 HydrophobicContact CG-CD1 4.44Å; F167-L242 HydrophobicContact CG-CD2 4.24Å; F167-L242 HydrophobicContact CZ-CD1 3.9Å
168Y96.8Very high94.3Very high73 Ų7379.6 Ų79.629%0.28638%0.38SS..EExtended strand (participates in β ladder)trans-133.3150.8168.572.3-88.6000110.3D170 F207 R208 K210 N213Y168-D170 HydrophobicContact CD2-CB 4.24Å; Y168-D170 HydrophobicContact CE2-CB 3.8Å; Y168-F207 WeakPolarHBondContact O-CA 3.49Å; Y168-F207 WeakPolarHBondContact O-CD1 3.47Å; Y168-R208 HydrophobicContact CD1-CB 4.02Å; Y168-R208 WeakPolarHBondContact CD1-O 3.38Å; Y168-R208 HydrophobicContact CE1-CB 3.43Å; Y168-R208 VanDerWaalsContact CE1-CB 3.43Å; Y168-R208 HydrophobicContact CE2-CB 4.18Å; Y168-R208 PolarHBondContact N-O 3.14Å; Y168-R208 PolarHBondContact O-N 2.74Å; Y168-R208 WeakPolarHBondContact OH-CD 2.97Å; Y168-K210 HydrophobicContact CD1-CG 3.82Å; Y168-N213 PolarHBondContact OH-OD1 2.58Å
169V96.5Very high94.5Very high63 Ų6382.1 Ų82.138%0.38239%0.393SS..EExtended strand (participates in β ladder)trans-76.1132.4178.1177.40000109.3F163 F207 L249F163-V169 HydrophobicContact CE1-CG2 4.4Å; F163-V169 HydrophobicContact CE2-CG2 4.43Å; F163-V169 HydrophobicContact CZ-CG2 4.3Å; V169-F207 HydrophobicContact CG2-CD1 4.26Å; V169-F207 HydrophobicContact CG2-CE1 3.52Å; V169-F207 HydrophobicContact CG2-CZ 4.12Å; V169-L249 HydrophobicContact CB-CD1 4.26Å; V169-L249 HydrophobicContact CG1-CD1 3.72Å; V169-L249 HydrophobicContact CG1-CD2 4.49Å; V169-L249 HydrophobicContact CG2-CD1 3.51Å; V169-L249 HydrophobicContact CG2-CD2 4.45Å
170D97Very high94.8Very high36 Ų3674.7 Ų74.719%0.19336%0.358CS..EExtended strand (participates in β ladder)trans-142.5-179.6176.5-163.110.2000110.7Y168 R173 C206 R208Y168-D170 HydrophobicContact CD2-CB 4.24Å; Y168-D170 HydrophobicContact CE2-CB 3.8Å; D170-R173 IonicContact OD2-CZ 2.71Å; D170-R173 IonicContact OD2-NE 3.03Å; D170-R173 IonicContact OD2-NH2 3.76Å; D170-R173 PolarHBondContact OD2-NH2 3.24Å; D170-C206 PolarHBondContact N-O 2.61Å; D170-C206 PolarHBondContact O-N 3.4Å; D170-R208 HydrophobicContact CB-CG 4.42Å; D170-R208 VanDerWaalsContact OD2-CD 3.27Å; D170-R208 WeakPolarHBondContact OD2-CD 2.94Å; D170-R208 IonicContact OD2-CZ 3.47Å; D170-R208 IonicContact OD2-NE 3.92Å; D170-R208 PolarHBondContact OD2-NE 2.94Å
171T97.3Very high95Very high58 Ų5872.1 Ų72.136%0.35633%0.334SS..  trans-114.3144169.4-53.60000108.5N204 C206 K253T171-N204 WeakPolarHBondContact CG2-OD1 3.48Å; T171-C206 VanDerWaalsContact C-SG 3.56Å; T171-K253 PolarHBondContact OG1-NZ 3.44Å
172L98.1Very high95.4Very high8 Ų873 Ų734%0.04234%0.344CS..  trans-60.9148.2172.1-65169.8000110.3D176 V180 I199 N204 C206 L215 F218 L220L172-D176 WeakPolarHBondContact CA-OD2 3.37Å; L172-D176 HydrophobicContact CD2-CB 4.02Å; L172-V180 HydrophobicContact CD1-CG2 4.19Å; L172-V180 HydrophobicContact CD2-CG2 4.05Å; L172-I199 HydrophobicContact CB-CD1 4.13Å; L172-I199 HydrophobicContact CB-CG1 3.94Å; L172-I199 HydrophobicContact CB-CG2 3.94Å; L172-I199 HydrophobicContact CD1-CD1 4.3Å; L172-I199 HydrophobicContact CD1-CG1 4.04Å; L172-I199 WeakPolarHBondContact O-CG2 3.3Å; L172-N204 VanDerWaalsContact CB-OD1 3.25Å; L172-N204 WeakPolarHBondContact CB-OD1 3.32Å; L172-N204 HydrophobicContact CD1-CB 4.24Å; L172-N204 WeakPolarHBondContact CG-OD1 3.49Å; L172-N204 PolarHBondContact N-OD1 3.21Å; L172-C206 HydrophobicContact CD2-CB 3.91Å; L172-C206 HydrophobicContact CG-CB 4.16Å; L172-L215 HydrophobicContact CD2-CD1 3.84Å; L172-L215 HydrophobicContact CD2-CD2 3.87Å; L172-F218 HydrophobicContact CD1-CB 4.11Å; L172-F218 HydrophobicContact CD1-CD2 4.47Å; L172-F218 HydrophobicContact CD1-CG 4.48Å; L172-F218 HydrophobicContact CD2-CB 3.96Å; L172-F218 HydrophobicContact CD2-CG 4.45Å; L172-F218 HydrophobicContact CG-CB 4.33Å; L172-L220 HydrophobicContact CD1-CD2 3.52Å; L172-L220 HydrophobicContact CD1-CG 4.1Å
173R96.5Very high95.8Very high92 Ų9265.6 Ų65.635%0.34731%0.312SS..  trans-117.4161.7-179.8-57.2170.2-161.7160.72.7109.1D170 E175 D176D170-R173 IonicContact OD2-CZ 2.71Å; D170-R173 IonicContact OD2-NE 3.03Å; D170-R173 IonicContact OD2-NH2 3.76Å; D170-R173 PolarHBondContact OD2-NH2 3.24Å; R173-E175 HydrophobicContact CB-CG 3.86Å; R173-E175 IonicContact NH1-OE1 3.19Å; R173-E175 PolarHBondContact NH1-OE1 2.89Å; R173-E175 PolarHBondContact O-N 2.83Å; R173-E175 VanDerWaalsContact O-N 3.12Å; R173-D176 PolarHBondContact N-OD2 3.5Å; R173-D176 WeakPolarHBondContact O-CB 3.44Å; R173-D176 PolarHBondContact O-N 2.95Å
174E95.9Very high96.2Very high101 Ų10163.7 Ų63.747%0.47230%0.303SS..G310 helixtrans-53.7-37.2-179.2-159.6-174.7135.100112.9D176 A177 R196E174-D176 PolarHBondContact O-N 3.03Å; E174-A177 VanDerWaalsContact O-CB 3.22Å; E174-A177 WeakPolarHBondContact O-CB 3.24Å; E174-A177 PolarHBondContact O-N 3.44Å; E174-A177 VanDerWaalsContact O-N 3.17Å; E174-R196 HydrophobicContact CG-CG 3.45Å; E174-R196 VanDerWaalsContact CG-CG 3.45Å; E174-R196 WeakPolarHBondContact OE1-CD 3.26Å; E174-R196 IonicContact OE1-CZ 3.91Å; E174-R196 IonicContact OE1-NE 2.84Å
175E96.5Very high96Very high141 Ų14165.4 Ų65.466%0.65933%0.325SS*.G310 helixtrans-62.7-26.2176.860.7-172-163.700113.8R173 A177R173-E175 HydrophobicContact CB-CG 3.86Å; R173-E175 IonicContact NH1-OE1 3.19Å; R173-E175 PolarHBondContact NH1-OE1 2.89Å; R173-E175 PolarHBondContact O-N 2.83Å; R173-E175 VanDerWaalsContact O-N 3.12Å; E175-A177 VanDerWaalsContact C-N 3.25Å; E175-A177 PolarHBondContact O-N 2.92Å
176D97.9Very high95.4Very high13 Ų1361 Ų617%0.0731%0.307CS..G310 helixtrans-74.9-16.2178.1-60.1-55000112.3L172 R173 E174 K178 L179 V180 R208 L215L172-D176 WeakPolarHBondContact CA-OD2 3.37Å; L172-D176 HydrophobicContact CD2-CB 4.02Å; R173-D176 PolarHBondContact N-OD2 3.5Å; R173-D176 WeakPolarHBondContact O-CB 3.44Å; R173-D176 PolarHBondContact O-N 2.95Å; E174-D176 PolarHBondContact O-N 3.03Å; D176-K178 VanDerWaalsContact C-N 3.3Å; D176-K178 PolarHBondContact O-N 3.42Å; D176-L179 PolarHBondContact O-N 3.3Å; D176-V180 HydrophobicContact CB-CG2 4.34Å; D176-V180 WeakPolarHBondContact O-CG2 3.15Å; D176-V180 PolarHBondContact O-N 3.24Å; D176-R208 VanDerWaalsContact CG-NH2 3.26Å; D176-R208 IonicContact OD1-CZ 2.74Å; D176-R208 IonicContact OD1-NH1 3.56Å; D176-R208 IonicContact OD1-NH2 3.65Å; D176-R208 PolarHBondContact OD1-NH2 3.05Å; D176-R208 IonicContact OD2-CZ 2.59Å; D176-R208 IonicContact OD2-NH2 3.1Å; D176-R208 PolarHBondContact OD2-NH2 3.22Å; D176-L215 HydrophobicContact CB-CD1 3.92Å; D176-L215 WeakPolarHBondContact OD1-CD1 3.35Å
177A97.2Very high95Very high0 Ų061.4 Ų61.40%031%0.308CS..Hα-helixtrans-55.5-42.1-170.600000113.1E174 E175 L179 V180 D181 I195 R196 I199E174-A177 VanDerWaalsContact O-CB 3.22Å; E174-A177 WeakPolarHBondContact O-CB 3.24Å; E174-A177 PolarHBondContact O-N 3.44Å; E174-A177 VanDerWaalsContact O-N 3.17Å; E175-A177 VanDerWaalsContact C-N 3.25Å; E175-A177 PolarHBondContact O-N 2.92Å; A177-L179 PolarHBondContact O-N 3.06Å; A177-V180 PolarHBondContact O-N 3.46Å; A177-D181 WeakPolarHBondContact O-CB 3.25Å; A177-D181 PolarHBondContact O-N 3.31Å; A177-I195 HydrophobicContact CB-CG2 4.14Å; A177-R196 HydrophobicContact CB-CB 3.78Å; A177-R196 HydrophobicContact CB-CG 4.33Å; A177-I199 HydrophobicContact CB-CD1 4.01Å
178K97.1Very high94.3Very high151 Ų15163.8 Ų63.866%0.65732%0.318SS*.Hα-helixtrans-63.7-41177.9-73.7-178.6176.6178.80112.2D176 S182D176-K178 VanDerWaalsContact C-N 3.3Å; D176-K178 PolarHBondContact O-N 3.42Å; K178-S182 WeakPolarHBondContact O-CB 3.3Å; K178-S182 PolarHBondContact O-N 3.23Å
179L97.5Very high93.6Very high73 Ų7367.4 Ų67.438%0.38234%0.338SS..Hα-helixtrans-70.4-45.3179.8178.459000110.6D176 A177 D181 S182 C183 L215 F234D176-L179 PolarHBondContact O-N 3.3Å; A177-L179 PolarHBondContact O-N 3.06Å; L179-D181 VanDerWaalsContact C-N 3.32Å; L179-D181 PolarHBondContact O-N 2.89Å; L179-S182 PolarHBondContact O-N 3.38Å; L179-S182 PolarHBondContact O-OG 2.68Å; L179-C183 PolarHBondContact O-N 2.82Å; L179-C183 PolarHBondContact O-SG 3.33Å; L179-C183 VanDerWaalsContact O-SG 3.38Å; L179-L215 HydrophobicContact CD2-CD1 4.12Å; L179-F234 HydrophobicContact CD1-CE1 4.06Å; L179-F234 HydrophobicContact CD1-CZ 4.02Å; L179-F234 HydrophobicContact CD2-CE1 4.45Å; L179-F234 HydrophobicContact CD2-CZ 3.87Å; L179-F234 HydrophobicContact CG-CE1 4.39Å; L179-F234 HydrophobicContact CG-CZ 3.85Å
180V97.5Very high93.1Very high1 Ų167.8 Ų67.81%0.00634%0.336CS..Hα-helixtrans-58.2-45.5175.7170.10000111.1L172 D176 A177 S182 C183 I195 F218 L220L172-V180 HydrophobicContact CD1-CG2 4.19Å; L172-V180 HydrophobicContact CD2-CG2 4.05Å; D176-V180 HydrophobicContact CB-CG2 4.34Å; D176-V180 WeakPolarHBondContact O-CG2 3.15Å; D176-V180 PolarHBondContact O-N 3.24Å; A177-V180 PolarHBondContact O-N 3.46Å; V180-S182 PolarHBondContact O-N 3.12Å; V180-C183 WeakPolarHBondContact O-CB 3.34Å; V180-C183 PolarHBondContact O-N 2.96Å; V180-I195 HydrophobicContact CB-CG2 3.82Å; V180-I195 HydrophobicContact CG1-CD1 4.18Å; V180-I195 HydrophobicContact CG1-CG2 3.51Å; V180-F218 HydrophobicContact CB-CE2 4.29Å; V180-F218 HydrophobicContact CB-CZ 4.16Å; V180-F218 HydrophobicContact CG1-CD2 4.25Å; V180-F218 HydrophobicContact CG1-CE2 3.61Å; V180-F218 HydrophobicContact CG1-CZ 3.9Å; V180-F218 HydrophobicContact CG2-CD1 4.26Å; V180-F218 HydrophobicContact CG2-CD2 4.27Å; V180-F218 HydrophobicContact CG2-CE1 4.08Å; V180-F218 HydrophobicContact CG2-CE2 4.11Å; V180-F218 HydrophobicContact CG2-CG 4.35Å; V180-F218 HydrophobicContact CG2-CZ 4Å; V180-L220 HydrophobicContact CG1-CD1 3.7Å
181D96.5Very high92.7Very high23 Ų2366.2 Ų66.212%0.12333%0.327CS..Hα-helixtrans-60.9-42.6176.3-176.167.5000112.4A177 L179 C183 W184 S191 C192 I195A177-D181 WeakPolarHBondContact O-CB 3.25Å; A177-D181 PolarHBondContact O-N 3.31Å; L179-D181 VanDerWaalsContact C-N 3.32Å; L179-D181 PolarHBondContact O-N 2.89Å; D181-C183 PolarHBondContact O-N 2.88Å; D181-W184 WeakPolarHBondContact O-CB 3.43Å; D181-W184 PolarHBondContact O-N 2.76Å; D181-S191 VanDerWaalsContact OD1-C 3.27Å; D181-S191 WeakPolarHBondContact OD1-CB 3.26Å; D181-S191 PolarHBondContact OD1-OG 2.94Å; D181-C192 HydrophobicContact CB-CB 4.13Å; D181-C192 PolarHBondContact OD1-N 3.03Å; D181-I195 HydrophobicContact CB-CG1 4.33Å
182S96.4Very high92.5Very high63 Ų6364.8 Ų64.844%0.44132%0.32SS..Hα-helixtrans-61.5-27.2178.279.40000113.6K178 L179 V180 W184 R187K178-S182 WeakPolarHBondContact O-CB 3.3Å; K178-S182 PolarHBondContact O-N 3.23Å; L179-S182 PolarHBondContact O-N 3.38Å; L179-S182 PolarHBondContact O-OG 2.68Å; V180-S182 PolarHBondContact O-N 3.12Å; S182-W184 VanDerWaalsContact C-N 3.34Å; S182-R187 PolarHBondContact O-NH1 3.15Å; S182-R187 VanDerWaalsContact O-NH1 3.13Å
183C95.2Very high92.1Very high31 Ų3169.4 Ų69.421%0.20934%0.344CS..THydrogen-bonded Turntrans-80.7-12.5177.1-66.70000113.2L179 V180 D181 A185 F218 F232L179-C183 PolarHBondContact O-N 2.82Å; L179-C183 PolarHBondContact O-SG 3.33Å; L179-C183 VanDerWaalsContact O-SG 3.38Å; V180-C183 WeakPolarHBondContact O-CB 3.34Å; V180-C183 PolarHBondContact O-N 2.96Å; D181-C183 PolarHBondContact O-N 2.88Å; C183-A185 PolarHBondContact O-N 3.31Å; C183-F218 HydrophobicContact CB-CZ 4.08Å; C183-F232 HydrophobicContact CB-CD1 4.12Å; C183-F232 HydrophobicContact CB-CD2 4.13Å; C183-F232 HydrophobicContact CB-CE1 4.06Å; C183-F232 HydrophobicContact CB-CE2 4.08Å; C183-F232 HydrophobicContact CB-CG 4.15Å; C183-F232 HydrophobicContact CB-CZ 4.04Å
184W91.6Very high91.7Very high29 Ų2967.1 Ų67.111%0.1134%0.338CS..  trans-84.8115.9-177.1-168.721.7000111.4D181 S182 H186 R187 F188 I195D181-W184 WeakPolarHBondContact O-CB 3.43Å; D181-W184 PolarHBondContact O-N 2.76Å; S182-W184 VanDerWaalsContact C-N 3.34Å; W184-H186 HydrophobicContact CZ2-CB 4.35Å; W184-H186 AromaticContact NE1-CD2 4Å; W184-H186 PolarHBondContact O-N 3.22Å; W184-R187 HydrophobicContact CB-CB 4.35Å; W184-R187 HydrophobicContact CE3-CB 4.36Å; W184-R187 WeakPolarHBondContact O-CB 3.25Å; W184-R187 WeakPolarHBondContact O-CG 3.36Å; W184-R187 PolarHBondContact O-N 3.3Å; W184-F188 HydrophobicContact CH2-CD1 4.35Å; W184-F188 AromaticContact CH2-CE1 3.84Å; W184-F188 HydrophobicContact CH2-CE1 3.84Å; W184-F188 HydrophobicContact CZ3-CD1 4.26Å; W184-F188 AromaticContact CZ3-CE1 3.85Å; W184-F188 HydrophobicContact CZ3-CE1 3.85Å; W184-I195 HydrophobicContact CE3-CD1 4.36Å
185A85.9Confident91.5Very high88 Ų8862.3 Ų62.373%0.72732%0.316SS*.THydrogen-bonded Turntrans-65.5-21.4179.500000113.8C183C183-A185 PolarHBondContact O-N 3.31Å
186H82.2Confident91.4Very high91 Ų9159.1 Ų59.142%0.42130%0.298SS..THydrogen-bonded Turntrans-109.624.7-179.2-50.9-58.9000112.1W184W184-H186 HydrophobicContact CZ2-CB 4.35Å; W184-H186 AromaticContact NE1-CD2 4Å; W184-H186 PolarHBondContact O-N 3.22Å
187R87Confident90.9Very high146 Ų14661.3 Ų61.355%0.55131%0.309SS*.  trans-59.8151.3174.868.1176.2-178.6-98.6-1.2111S182 W184 S191S182-R187 PolarHBondContact O-NH1 3.15Å; S182-R187 VanDerWaalsContact O-NH1 3.13Å; W184-R187 HydrophobicContact CB-CB 4.35Å; W184-R187 HydrophobicContact CE3-CB 4.36Å; W184-R187 WeakPolarHBondContact O-CB 3.25Å; W184-R187 WeakPolarHBondContact O-CG 3.36Å; W184-R187 PolarHBondContact O-N 3.3Å; R187-S191 WeakPolarHBondContact CB-OG 3.43Å
188F84.4Confident90.6Very high58 Ų5861.8 Ų61.825%0.25431%0.311SS..  trans-141.9175-177.759.9-86.5000109.2F70 W184 Q190 S191 L194F70-F188 HydrophobicContact CD2-CE2 4.3Å; F70-F188 HydrophobicContact CD2-CZ 4.45Å; W184-F188 HydrophobicContact CH2-CD1 4.35Å; W184-F188 AromaticContact CH2-CE1 3.84Å; W184-F188 HydrophobicContact CH2-CE1 3.84Å; W184-F188 HydrophobicContact CZ3-CD1 4.26Å; W184-F188 AromaticContact CZ3-CE1 3.85Å; W184-F188 HydrophobicContact CZ3-CE1 3.85Å; F188-Q190 PolarHBondContact O-N 3.16Å; F188-S191 PolarHBondContact N-OG 2.61Å; F188-S191 VanDerWaalsContact O-CB 3.31Å; F188-S191 WeakPolarHBondContact O-CB 3.43Å; F188-S191 PolarHBondContact O-N 3.27Å; F188-S191 PolarHBondContact O-OG 3.33Å; F188-L194 HydrophobicContact CE1-CD2 4.23Å; F188-L194 HydrophobicContact CZ-CD2 3.87Å
189E82.1Confident90.5Very high149 Ų14955.1 Ų55.170%0.69628%0.282SS*.THydrogen-bonded Turntrans-58132.4175.3-166175.2178.500110.2S191E189-S191 VanDerWaalsContact C-N 3.28Å; E189-S191 PolarHBondContact O-N 2.72Å
190Q84.5Confident90.2Very high72 Ų7256 Ų5634%0.33629%0.288SS..THydrogen-bonded Turntrans72.42-173.4-45.7173.7-13.200116.4F188 C192 L193 L194F188-Q190 PolarHBondContact O-N 3.16Å; Q190-C192 PolarHBondContact O-N 3.26Å; Q190-C192 VanDerWaalsContact O-N 3.17Å; Q190-L193 HydrophobicContact CB-CD1 4.37Å; Q190-L193 WeakPolarHBondContact O-CB 3.41Å; Q190-L193 PolarHBondContact O-N 2.96Å; Q190-L194 PolarHBondContact O-N 2.81Å
191S89.5Confident89.6Confident2 Ų257.5 Ų57.51%0.01429%0.293CS..Hα-helixtrans-59.8-31.4178600000113.3D181 R187 F188 E189 L193 L194 I195D181-S191 VanDerWaalsContact OD1-C 3.27Å; D181-S191 WeakPolarHBondContact OD1-CB 3.26Å; D181-S191 PolarHBondContact OD1-OG 2.94Å; R187-S191 WeakPolarHBondContact CB-OG 3.43Å; F188-S191 PolarHBondContact N-OG 2.61Å; F188-S191 VanDerWaalsContact O-CB 3.31Å; F188-S191 WeakPolarHBondContact O-CB 3.43Å; F188-S191 PolarHBondContact O-N 3.27Å; F188-S191 PolarHBondContact O-OG 3.33Å; E189-S191 VanDerWaalsContact C-N 3.28Å; E189-S191 PolarHBondContact O-N 2.72Å; S191-L193 VanDerWaalsContact C-N 3.29Å; S191-L193 PolarHBondContact O-N 2.87Å; S191-L194 WeakPolarHBondContact O-CB 3.4Å; S191-L194 PolarHBondContact O-N 3.35Å; S191-I195 VanDerWaalsContact O-CG1 3.3Å; S191-I195 WeakPolarHBondContact O-CG1 3.32Å; S191-I195 PolarHBondContact O-N 3.42Å
192C92.8Very high89.3Confident29 Ų2956.8 Ų56.820%0.19629%0.289CS..Hα-helixtrans-62.4-33.8174-176.60000112.9D181 Q190 R196D181-C192 HydrophobicContact CB-CB 4.13Å; D181-C192 PolarHBondContact OD1-N 3.03Å; Q190-C192 PolarHBondContact O-N 3.26Å; Q190-C192 VanDerWaalsContact O-N 3.17Å; C192-R196 WeakPolarHBondContact O-CB 3.39Å; C192-R196 PolarHBondContact O-N 3.45Å
193L89.5Confident89.1Confident105 Ų10554.8 Ų54.855%0.5527%0.274SS..Hα-helixtrans-68.2-45.1175.1-66.9176.3000110.1Q190 S191 I195 R196 D197Q190-L193 HydrophobicContact CB-CD1 4.37Å; Q190-L193 WeakPolarHBondContact O-CB 3.41Å; Q190-L193 PolarHBondContact O-N 2.96Å; S191-L193 VanDerWaalsContact C-N 3.29Å; S191-L193 PolarHBondContact O-N 2.87Å; L193-I195 VanDerWaalsContact C-N 3.35Å; L193-I195 PolarHBondContact O-N 3.26Å; L193-R196 WeakPolarHBondContact O-CB 3.42Å; L193-R196 PolarHBondContact O-N 2.56Å; L193-D197 VanDerWaalsContact O-CB 3.26Å; L193-D197 WeakPolarHBondContact O-CB 3.41Å; L193-D197 PolarHBondContact O-N 3.08Å
194L87.7Confident89.2Confident43 Ų4353.4 Ų53.423%0.22527%0.265CS..Hα-helixtrans-59.6-43.5175.1177.763.2000112.3F188 Q190 S191 D197 R198F188-L194 HydrophobicContact CE1-CD2 4.23Å; F188-L194 HydrophobicContact CZ-CD2 3.87Å; Q190-L194 PolarHBondContact O-N 2.81Å; S191-L194 WeakPolarHBondContact O-CB 3.4Å; S191-L194 PolarHBondContact O-N 3.35Å; L194-D197 PolarHBondContact O-N 3.27Å; L194-R198 WeakPolarHBondContact O-CG 3.21Å; L194-R198 PolarHBondContact O-N 3.41Å
195I93.2Very high89.4Confident0 Ų052 Ų520%026%0.26CS..Hα-helixtrans-63.9-45.5176.9-70.1-64.4000111A177 V180 D181 W184 S191 L193 D197 R198 I199 L220A177-I195 HydrophobicContact CB-CG2 4.14Å; V180-I195 HydrophobicContact CB-CG2 3.82Å; V180-I195 HydrophobicContact CG1-CD1 4.18Å; V180-I195 HydrophobicContact CG1-CG2 3.51Å; D181-I195 HydrophobicContact CB-CG1 4.33Å; W184-I195 HydrophobicContact CE3-CD1 4.36Å; S191-I195 VanDerWaalsContact O-CG1 3.3Å; S191-I195 WeakPolarHBondContact O-CG1 3.32Å; S191-I195 PolarHBondContact O-N 3.42Å; L193-I195 VanDerWaalsContact C-N 3.35Å; L193-I195 PolarHBondContact O-N 3.26Å; I195-D197 VanDerWaalsContact C-N 3.28Å; I195-D197 PolarHBondContact O-N 3.23Å; I195-R198 PolarHBondContact O-N 3.5Å; I195-I199 HydrophobicContact CG2-CD1 3.93Å; I195-I199 WeakPolarHBondContact O-CG1 3.33Å; I195-I199 PolarHBondContact O-N 2.95Å; I195-L220 HydrophobicContact CD1-CD1 3.65Å; I195-L220 HydrophobicContact CG2-CD1 4.35Å
196R93.6Very high90Very high74 Ų7447.8 Ų47.828%0.27923%0.225SC..Hα-helixtrans-57.6-45.2176.5-176-179.5-68.8162.44.7111.4E174 A177 C192 L193 I199 N200E174-R196 HydrophobicContact CG-CG 3.45Å; E174-R196 VanDerWaalsContact CG-CG 3.45Å; E174-R196 WeakPolarHBondContact OE1-CD 3.26Å; E174-R196 IonicContact OE1-CZ 3.91Å; E174-R196 IonicContact OE1-NE 2.84Å; A177-R196 HydrophobicContact CB-CB 3.78Å; A177-R196 HydrophobicContact CB-CG 4.33Å; C192-R196 WeakPolarHBondContact O-CB 3.39Å; C192-R196 PolarHBondContact O-N 3.45Å; L193-R196 WeakPolarHBondContact O-CB 3.42Å; L193-R196 PolarHBondContact O-N 2.56Å; R196-I199 WeakPolarHBondContact O-CB 3.26Å; R196-I199 PolarHBondContact O-N 3.4Å; R196-N200 PolarHBondContact O-N 3.19Å
197D88.2Confident90.8Very high60 Ų6043.5 Ų43.532%0.32121%0.205SC..Hα-helixtrans-65-42.1-178.9-169.935.8000111.9L193 L194 I195 I199 N200 R201L193-D197 VanDerWaalsContact O-CB 3.26Å; L193-D197 WeakPolarHBondContact O-CB 3.41Å; L193-D197 PolarHBondContact O-N 3.08Å; L194-D197 PolarHBondContact O-N 3.27Å; I195-D197 VanDerWaalsContact C-N 3.28Å; I195-D197 PolarHBondContact O-N 3.23Å; D197-I199 PolarHBondContact O-N 3.12Å; D197-N200 PolarHBondContact O-N 2.85Å; D197-R201 VanDerWaalsContact CG-NH2 3.32Å; D197-R201 WeakPolarHBondContact O-CB 3.43Å; D197-R201 WeakPolarHBondContact O-CG 3.42Å; D197-R201 PolarHBondContact O-N 3.22Å; D197-R201 WeakPolarHBondContact OD1-CD 3.35Å; D197-R201 IonicContact OD1-CZ 2.74Å; D197-R201 IonicContact OD1-NE 2.61Å; D197-R201 PolarHBondContact OD1-NE 3.03Å; D197-R201 IonicContact OD1-NH2 3.85Å; D197-R201 IonicContact OD2-CZ 3.71Å; D197-R201 IonicContact OD2-NE 3.15Å; D197-R201 PolarHBondContact OD2-NE 3.16Å; D197-R201 VanDerWaalsContact OD2-NE 3.1Å; D197-R201 IonicContact OD2-NH2 3.31Å; D197-R201 PolarHBondContact OD2-NH2 2.99Å
198R91.4Very high91.3Very high10 Ų1037 Ų374%0.03818%0.181CC..Hα-helixtrans-59.9-42.8170.8-73.2168.6176.9167.9-3.9112.9L194 I195 N200 F202 D222 N229L194-R198 WeakPolarHBondContact O-CG 3.21Å; L194-R198 PolarHBondContact O-N 3.41Å; I195-R198 PolarHBondContact O-N 3.5Å; R198-N200 VanDerWaalsContact C-N 3.31Å; R198-N200 PolarHBondContact O-N 3.05Å; R198-F202 PolarHBondContact O-N 3.37Å; R198-D222 IonicContact CZ-OD2 2.8Å; R198-D222 IonicContact NE-OD2 3.87Å; R198-D222 IonicContact NH2-OD2 3.62Å; R198-D222 PolarHBondContact NH2-OD2 3.02Å; R198-N229 PolarHBondContact NH1-ND2 2.78Å
199I95Very high92Very high10 Ų1034.6 Ų34.65%0.05117%0.171CC..Hα-helixtrans-60.6-43.1177.5-72.5167.5000110.9L172 A177 I195 R196 D197 N204 L220L172-I199 HydrophobicContact CB-CD1 4.13Å; L172-I199 HydrophobicContact CB-CG1 3.94Å; L172-I199 HydrophobicContact CB-CG2 3.94Å; L172-I199 HydrophobicContact CD1-CD1 4.3Å; L172-I199 HydrophobicContact CD1-CG1 4.04Å; L172-I199 WeakPolarHBondContact O-CG2 3.3Å; A177-I199 HydrophobicContact CB-CD1 4.01Å; I195-I199 HydrophobicContact CG2-CD1 3.93Å; I195-I199 WeakPolarHBondContact O-CG1 3.33Å; I195-I199 PolarHBondContact O-N 2.95Å; R196-I199 WeakPolarHBondContact O-CB 3.26Å; R196-I199 PolarHBondContact O-N 3.4Å; D197-I199 PolarHBondContact O-N 3.12Å; I199-N204 PolarHBondContact O-ND2 3.08Å; I199-L220 HydrophobicContact CG1-CD2 3.76Å
200N91Very high92.7Very high92 Ų9233.6 Ų33.649%0.49216%0.164SC..Hα-helixtrans-78-29.5-174.8-73.3-11.2000113.4R196 D197 R198R196-N200 PolarHBondContact O-N 3.19Å; D197-N200 PolarHBondContact O-N 2.85Å; R198-N200 VanDerWaalsContact C-N 3.31Å; R198-N200 PolarHBondContact O-N 3.05Å
201R84.5Confident93.3Very high32 Ų3235.2 Ų35.212%0.12118%0.184CC..Hα-helixtrans-100.5-37.4-174.3-67.2-172.1-67.9117-1.7114L40 S42 D197 S223 E224L40-R201 WeakPolarHBondContact CD2-O 3.1Å; L40-R201 PolarHBondContact O-NH1 2.94Å; S42-R201 VanDerWaalsContact CB-CZ 3.44Å; D197-R201 VanDerWaalsContact CG-NH2 3.32Å; D197-R201 WeakPolarHBondContact O-CB 3.43Å; D197-R201 WeakPolarHBondContact O-CG 3.42Å; D197-R201 PolarHBondContact O-N 3.22Å; D197-R201 WeakPolarHBondContact OD1-CD 3.35Å; D197-R201 IonicContact OD1-CZ 2.74Å; D197-R201 IonicContact OD1-NE 2.61Å; D197-R201 PolarHBondContact OD1-NE 3.03Å; D197-R201 IonicContact OD1-NH2 3.85Å; D197-R201 IonicContact OD2-CZ 3.71Å; D197-R201 IonicContact OD2-NE 3.15Å; D197-R201 PolarHBondContact OD2-NE 3.16Å; D197-R201 VanDerWaalsContact OD2-NE 3.1Å; D197-R201 IonicContact OD2-NH2 3.31Å; D197-R201 PolarHBondContact OD2-NH2 2.99Å; R201-S223 PolarHBondContact NH2-OG 2.99Å; R201-E224 IonicContact CZ-OE1 2.87Å; R201-E224 IonicContact NH1-OE1 2.81Å; R201-E224 PolarHBondContact NH1-OE1 3.32Å; R201-E224 VanDerWaalsContact NH1-OE1 3.15Å; R201-E224 IonicContact NH2-OE1 3.76Å; R201-E224 PolarHBondContact NH2-OE1 3.29Å
202F89Confident93.6Very high8 Ų840 Ų404%0.03521%0.209CC..SBendtrans-108.6151.1-170.1-89.2-99.9000113.3L33 L40 R198 N204 V221 S223L33-F202 HydrophobicContact CD1-CE1 4.38Å; L33-F202 HydrophobicContact CD1-CZ 3.94Å; L33-F202 HydrophobicContact CD2-CE1 3.8Å; L33-F202 HydrophobicContact CD2-CZ 3.74Å; L40-F202 HydrophobicContact CB-CD2 4.34Å; L40-F202 HydrophobicContact CB-CE1 4.2Å; L40-F202 HydrophobicContact CB-CE2 3.72Å; L40-F202 HydrophobicContact CB-CZ 3.64Å; L40-F202 HydrophobicContact CD1-CE1 4.3Å; L40-F202 WeakPolarHBondContact O-CE2 3.27Å; R198-F202 PolarHBondContact O-N 3.37Å; F202-N204 PolarHBondContact O-N 3.06Å; F202-N204 PolarHBondContact O-ND2 2.97Å; F202-V221 HydrophobicContact CB-CB 4.13Å; F202-V221 HydrophobicContact CD1-CB 3.98Å; F202-V221 HydrophobicContact CD1-CG1 3.61Å; F202-V221 HydrophobicContact CE1-CG1 4.15Å; F202-V221 HydrophobicContact CG-CB 4.38Å; F202-V221 HydrophobicContact CG-CG1 4.4Å; F202-S223 WeakPolarHBondContact CE2-O 3.49Å; F202-S223 WeakPolarHBondContact CZ-O 3.49Å
203P92.9Very high93.8Very high21 Ų2142 Ų4214%0.13622%0.218CC..  trans-52.5132.5167.4-23.233000110.2V221 L250 K253 L254 M257P203-V221 VanDerWaalsContact O-CG2 3.23Å; P203-V221 WeakPolarHBondContact O-CG2 3.1Å; P203-L250 HydrophobicContact CB-CD1 3.89Å; P203-L250 WeakPolarHBondContact O-CD1 3.47Å; P203-K253 HydrophobicContact CB-CB 4.06Å; P203-K253 HydrophobicContact CB-CD 4.33Å; P203-L254 HydrophobicContact CB-CD2 4.43Å; P203-L254 HydrophobicContact CG-CD2 4.24Å; P203-M257 HydrophobicContact CB-SD 4.48Å; P203-M257 HydrophobicContact CG-CE 3.86Å; P203-M257 HydrophobicContact CG-SD 3.32Å; P203-M257 WeakPolarHBondContact CG-SD 3.41Å
204N96.7Very high94.1Very high2 Ų238.8 Ų38.81%0.01120%0.204CC..  trans-138.4166.917166.275.1000108T171 L172 I199 F202 V219 L220 K253T171-N204 WeakPolarHBondContact CG2-OD1 3.48Å; L172-N204 VanDerWaalsContact CB-OD1 3.25Å; L172-N204 WeakPolarHBondContact CB-OD1 3.32Å; L172-N204 HydrophobicContact CD1-CB 4.24Å; L172-N204 WeakPolarHBondContact CG-OD1 3.49Å; L172-N204 PolarHBondContact N-OD1 3.21Å; I199-N204 PolarHBondContact O-ND2 3.08Å; F202-N204 PolarHBondContact O-N 3.06Å; F202-N204 PolarHBondContact O-ND2 2.97Å; N204-V219 WeakPolarHBondContact CB-O 3.31Å; N204-L220 HydrophobicContact CB-CD2 3.86Å; N204-K253 PolarHBondContact O-NZ 3.37Å
205A97.6Very high94.6Very high0 Ų037.2 Ų37.20%020%0.196CC..EExtended strand (participates in β ladder)trans-140.3142.9175.900000109.4F218 V219 V246 L249 L250A205-F218 CarbonylContact O-C 3.55Å; A205-F218 VanDerWaalsContact O-CA 3.29Å; A205-F218 WeakPolarHBondContact O-CA 3.34Å; A205-V219 HydrophobicContact CB-CG1 4.22Å; A205-V219 PolarHBondContact N-O 3.17Å; A205-V219 PolarHBondContact O-N 3.22Å; A205-V246 VanDerWaalsContact C-CG2 3.49Å; A205-V246 HydrophobicContact CB-CG2 3.81Å; A205-V246 VanDerWaalsContact O-CG2 3.28Å; A205-V246 WeakPolarHBondContact O-CG2 3.21Å; A205-L249 HydrophobicContact CB-CB 4.12Å; A205-L250 HydrophobicContact CB-CB 4.17Å
206C98.4Very high94.8Very high0 Ų037.2 Ų37.20%020%0.196CC..EExtended strand (participates in β ladder)trans-140.3160.5171.869.10000111.9D170 T171 L172 L215 A217 F218D170-C206 PolarHBondContact N-O 2.61Å; D170-C206 PolarHBondContact O-N 3.4Å; T171-C206 VanDerWaalsContact C-SG 3.56Å; L172-C206 HydrophobicContact CD2-CB 3.91Å; L172-C206 HydrophobicContact CG-CB 4.16Å; C206-L215 HydrophobicContact CB-CD2 3.74Å; C206-A217 CarbonylContact C-O 3.5Å; C206-A217 WeakPolarHBondContact CA-O 3.41Å; C206-A217 VanDerWaalsContact CB-O 3.25Å; C206-A217 WeakPolarHBondContact CB-O 3.41Å; C206-F218 HydrophobicContact CB-CB 3.88Å
207F98.2Very high95.1Very high1 Ų133.7 Ų33.70%0.00418%0.183CC..EExtended strand (participates in β ladder)trans-106.9137.3162.4-78.1-71.3000109.2F163 F167 Y168 V169 A216 A217 L242 A245 V246 L249F163-F207 AromaticContact CD1-CE1 3.62Å; F163-F207 HydrophobicContact CD1-CE1 3.62Å; F163-F207 AromaticContact CD1-CZ 3.42Å; F163-F207 HydrophobicContact CD1-CZ 3.42Å; F163-F207 VanDerWaalsContact CD1-CZ 3.42Å; F163-F207 HydrophobicContact CE1-CE1 4Å; F163-F207 AromaticContact CE1-CZ 3.49Å; F163-F207 HydrophobicContact CE1-CZ 3.49Å; F163-F207 VanDerWaalsContact CE1-CZ 3.49Å; F163-F207 HydrophobicContact CG-CE1 4.32Å; F163-F207 HydrophobicContact CG-CZ 4.5Å; F167-F207 HydrophobicContact CB-CB 4.33Å; F167-F207 HydrophobicContact CB-CD1 3.96Å; F167-F207 HydrophobicContact CB-CG 4.44Å; Y168-F207 WeakPolarHBondContact O-CA 3.49Å; Y168-F207 WeakPolarHBondContact O-CD1 3.47Å; V169-F207 HydrophobicContact CG2-CD1 4.26Å; V169-F207 HydrophobicContact CG2-CE1 3.52Å; V169-F207 HydrophobicContact CG2-CZ 4.12Å; F207-A216 HydrophobicContact CB-CB 4.22Å; F207-A216 PolarHBondContact O-N 3.36Å; F207-A217 HydrophobicContact CD2-CB 4.38Å; F207-A217 PolarHBondContact N-O 2.83Å; F207-A217 PolarHBondContact O-N 3.04Å; F207-L242 HydrophobicContact CD2-CB 4.38Å; F207-L242 HydrophobicContact CD2-CD2 3.99Å; F207-L242 HydrophobicContact CE2-CD2 4.28Å; F207-L242 HydrophobicContact CG-CD2 4.2Å; F207-A245 HydrophobicContact CE2-CB 3.73Å; F207-A245 HydrophobicContact CZ-CB 3.95Å; F207-V246 HydrophobicContact CD2-CB 3.82Å; F207-V246 HydrophobicContact CD2-CG2 4.07Å; F207-V246 HydrophobicContact CE2-CB 3.75Å; F207-V246 HydrophobicContact CE2-CG2 4.24Å; F207-L249 HydrophobicContact CE1-CD1 4.27Å; F207-L249 HydrophobicContact CE2-CD1 4.15Å; F207-L249 HydrophobicContact CZ-CD1 3.65Å
208R98.3Very high95.5Very high10 Ų1030.9 Ų30.94%0.03817%0.168CC..EExtended strand (participates in β ladder)trans-113.6144.4167.6-70.8180-172.8-77.4-4.9110.9F167 Y168 D170 D176 N213 S214 L215F167-R208 CarbonylContact C-O 3.53Å; F167-R208 WeakPolarHBondContact CA-O 3.41Å; Y168-R208 HydrophobicContact CD1-CB 4.02Å; Y168-R208 WeakPolarHBondContact CD1-O 3.38Å; Y168-R208 HydrophobicContact CE1-CB 3.43Å; Y168-R208 VanDerWaalsContact CE1-CB 3.43Å; Y168-R208 HydrophobicContact CE2-CB 4.18Å; Y168-R208 PolarHBondContact N-O 3.14Å; Y168-R208 PolarHBondContact O-N 2.74Å; Y168-R208 WeakPolarHBondContact OH-CD 2.97Å; D170-R208 HydrophobicContact CB-CG 4.42Å; D170-R208 VanDerWaalsContact OD2-CD 3.27Å; D170-R208 WeakPolarHBondContact OD2-CD 2.94Å; D170-R208 IonicContact OD2-CZ 3.47Å; D170-R208 IonicContact OD2-NE 3.92Å; D170-R208 PolarHBondContact OD2-NE 2.94Å; D176-R208 VanDerWaalsContact CG-NH2 3.26Å; D176-R208 IonicContact OD1-CZ 2.74Å; D176-R208 IonicContact OD1-NH1 3.56Å; D176-R208 IonicContact OD1-NH2 3.65Å; D176-R208 PolarHBondContact OD1-NH2 3.05Å; D176-R208 IonicContact OD2-CZ 2.59Å; D176-R208 IonicContact OD2-NH2 3.1Å; D176-R208 PolarHBondContact OD2-NH2 3.22Å; R208-N213 PolarHBondContact NH1-O 2.83Å; R208-S214 CarbonylContact C-O 3.54Å; R208-S214 VanDerWaalsContact CA-O 3.22Å; R208-S214 WeakPolarHBondContact CA-O 3.16Å; R208-L215 HydrophobicContact CG-CD2 4.03Å
209S97.5Very high95.9Very high7 Ų730.4 Ų30.45%0.04917%0.166CC..EExtended strand (participates in β ladder)trans-69.1131.9171.7171.20000109.9S211 D212 N213 S214S209-S211 VanDerWaalsContact C-N 3.32Å; S209-S211 PolarHBondContact O-N 3.06Å; S209-S211 PolarHBondContact OG-N 3.17Å; S209-S211 PolarHBondContact OG-OG 2.78Å; S209-D212 WeakPolarHBondContact CB-OD1 3.31Å; S209-D212 PolarHBondContact OG-OD1 3.28Å; S209-N213 WeakPolarHBondContact O-CA 3.5Å; S209-N213 PolarHBondContact O-N 2.8Å; S209-S214 WeakPolarHBondContact CB-OG 3.07Å; S209-S214 PolarHBondContact N-O 2.88Å
210K97.2Very high95.9Very high127 Ų12730 Ų3055%0.55216%0.164SC*.THydrogen-bonded Turntrans-72-24.2178.3-73.8-173.7-175.6165.50113.5K165 R166 F167 Y168K165-K210 VanDerWaalsContact O-CD 3.27Å; K165-K210 WeakPolarHBondContact O-CD 3.21Å; K165-K210 VanDerWaalsContact O-CE 3.29Å; K165-K210 WeakPolarHBondContact O-CE 3.32Å; K165-K210 PolarHBondContact O-NZ 2.83Å; R166-K210 WeakPolarHBondContact O-CB 3.44Å; R166-K210 PolarHBondContact O-N 3.14Å; F167-K210 VanDerWaalsContact O-CE 3.3Å; F167-K210 WeakPolarHBondContact O-CE 3.31Å; Y168-K210 HydrophobicContact CD1-CG 3.82Å
211S96.4Very high96.1Very high107 Ų10725.6 Ų25.675%0.74814%0.14SC*.THydrogen-bonded Turntrans-72.6-35.2-175.857.20000112.9S209S209-S211 VanDerWaalsContact C-N 3.32Å; S209-S211 PolarHBondContact O-N 3.06Å; S209-S211 PolarHBondContact OG-N 3.17Å; S209-S211 PolarHBondContact OG-OG 2.78Å
212D96.6Very high96.3Very high101 Ų10124.6 Ų24.654%0.5414%0.137SC..THydrogen-bonded Turntrans-142.55.6-168.265.1-3.5000113.5S209 S214S209-D212 WeakPolarHBondContact CB-OD1 3.31Å; S209-D212 PolarHBondContact OG-OD1 3.28Å; D212-S214 VanDerWaalsContact CG-OG 3.29Å; D212-S214 PolarHBondContact O-N 2.83Å; D212-S214 VanDerWaalsContact O-N 3.11Å; D212-S214 WeakPolarHBondContact OD1-CB 3.11Å; D212-S214 PolarHBondContact OD1-N 3.26Å; D212-S214 VanDerWaalsContact OD1-N 3.12Å; D212-S214 PolarHBondContact OD1-OG 3.17Å; D212-S214 PolarHBondContact OD2-OG 2.87Å
213N96.4Very high95.5Very high71 Ų7124.3 Ų24.338%0.3814%0.137SC..  trans63.111.6179.7-156.739.2000115.6Y168 R208 S209Y168-N213 PolarHBondContact OH-OD1 2.58Å; R208-N213 PolarHBondContact NH1-O 2.83Å; S209-N213 WeakPolarHBondContact O-CA 3.5Å; S209-N213 PolarHBondContact O-N 2.8Å
214S96.7Very high94.9Very high39 Ų3923.5 Ų23.527%0.27313%0.131SC..  trans-70.2148.2-178.462.90000112.2R208 S209 D212 A216R208-S214 CarbonylContact C-O 3.54Å; R208-S214 VanDerWaalsContact CA-O 3.22Å; R208-S214 WeakPolarHBondContact CA-O 3.16Å; S209-S214 WeakPolarHBondContact CB-OG 3.07Å; S209-S214 PolarHBondContact N-O 2.88Å; D212-S214 VanDerWaalsContact CG-OG 3.29Å; D212-S214 PolarHBondContact O-N 2.83Å; D212-S214 VanDerWaalsContact O-N 3.11Å; D212-S214 WeakPolarHBondContact OD1-CB 3.11Å; D212-S214 PolarHBondContact OD1-N 3.26Å; D212-S214 VanDerWaalsContact OD1-N 3.12Å; D212-S214 PolarHBondContact OD1-OG 3.17Å; D212-S214 PolarHBondContact OD2-OG 2.87Å; S214-A216 PolarHBondContact O-N 2.92Å
215L98Very high94.5Very high9 Ų923.5 Ų23.55%0.04713%0.131CC..EExtended strand (participates in β ladder)trans-66.3127.1172.6-80.9176000110.4L172 D176 L179 C206 R208 F234L172-L215 HydrophobicContact CD2-CD1 3.84Å; L172-L215 HydrophobicContact CD2-CD2 3.87Å; D176-L215 HydrophobicContact CB-CD1 3.92Å; D176-L215 WeakPolarHBondContact OD1-CD1 3.35Å; L179-L215 HydrophobicContact CD2-CD1 4.12Å; C206-L215 HydrophobicContact CB-CD2 3.74Å; R208-L215 HydrophobicContact CG-CD2 4.03Å; L215-F234 HydrophobicContact CB-CD2 4.44Å; L215-F234 HydrophobicContact CB-CE2 3.79Å; L215-F234 HydrophobicContact CB-CZ 4.43Å; L215-F234 WeakPolarHBondContact O-CD2 3.49Å
216A98Very high94Very high0 Ų023.6 Ų23.60%013%0.131CC..EExtended strand (participates in β ladder)trans-103.8-41.5179.500000112.8F167 F207 S214 F234 F237 L242F167-A216 HydrophobicContact CD1-CB 3.63Å; F167-A216 HydrophobicContact CE1-CB 3.61Å; F207-A216 HydrophobicContact CB-CB 4.22Å; F207-A216 PolarHBondContact O-N 3.36Å; S214-A216 PolarHBondContact O-N 2.92Å; A216-F234 PolarHBondContact O-N 3.21Å; A216-F237 VanDerWaalsContact CA-CD2 3.41Å; A216-F237 HydrophobicContact CB-CB 4.18Å; A216-F237 HydrophobicContact CB-CD1 4.46Å; A216-F237 HydrophobicContact CB-CD2 3.57Å; A216-F237 HydrophobicContact CB-CE2 3.95Å; A216-F237 HydrophobicContact CB-CG 3.83Å; A216-L242 HydrophobicContact CB-CD1 4.06Å
217A98.3Very high93.8Very high0 Ų024.1 Ų24.10%013%0.134CC..EExtended strand (participates in β ladder)trans-153.4153.8175.800000110C206 F207 F232 V233 L242 V246C206-A217 CarbonylContact C-O 3.5Å; C206-A217 WeakPolarHBondContact CA-O 3.41Å; C206-A217 VanDerWaalsContact CB-O 3.25Å; C206-A217 WeakPolarHBondContact CB-O 3.41Å; F207-A217 HydrophobicContact CD2-CB 4.38Å; F207-A217 PolarHBondContact N-O 2.83Å; F207-A217 PolarHBondContact O-N 3.04Å; A217-F232 CarbonylContact C-O 3.41Å; A217-F232 WeakPolarHBondContact CA-O 3.26Å; A217-V233 HydrophobicContact CB-CB 4.41Å; A217-V233 HydrophobicContact CB-CG1 4.37Å; A217-V233 HydrophobicContact CB-CG2 3.94Å; A217-L242 HydrophobicContact CB-CB 3.96Å; A217-V246 HydrophobicContact CB-CG1 4.3Å
218F98.5Very high93.7Very high2 Ų224.6 Ų24.61%0.00914%0.136CC..EExtended strand (participates in β ladder)trans-152.2161.2174.762.8-98.1000111.7L172 V180 C183 A205 C206 N230 L231 F232 F234L172-F218 HydrophobicContact CD1-CB 4.11Å; L172-F218 HydrophobicContact CD1-CD2 4.47Å; L172-F218 HydrophobicContact CD1-CG 4.48Å; L172-F218 HydrophobicContact CD2-CB 3.96Å; L172-F218 HydrophobicContact CD2-CG 4.45Å; L172-F218 HydrophobicContact CG-CB 4.33Å; V180-F218 HydrophobicContact CB-CE2 4.29Å; V180-F218 HydrophobicContact CB-CZ 4.16Å; V180-F218 HydrophobicContact CG1-CD2 4.25Å; V180-F218 HydrophobicContact CG1-CE2 3.61Å; V180-F218 HydrophobicContact CG1-CZ 3.9Å; V180-F218 HydrophobicContact CG2-CD1 4.26Å; V180-F218 HydrophobicContact CG2-CD2 4.27Å; V180-F218 HydrophobicContact CG2-CE1 4.08Å; V180-F218 HydrophobicContact CG2-CE2 4.11Å; V180-F218 HydrophobicContact CG2-CG 4.35Å; V180-F218 HydrophobicContact CG2-CZ 4Å; C183-F218 HydrophobicContact CB-CZ 4.08Å; A205-F218 CarbonylContact O-C 3.55Å; A205-F218 VanDerWaalsContact O-CA 3.29Å; A205-F218 WeakPolarHBondContact O-CA 3.34Å; C206-F218 HydrophobicContact CB-CB 3.88Å; F218-N230 WeakPolarHBondContact CD2-O 3.25Å; F218-N230 HydrophobicContact CE2-CB 4.3Å; F218-N230 WeakPolarHBondContact CE2-O 3.17Å; F218-L231 WeakPolarHBondContact O-CA 3.33Å; F218-F232 HydrophobicContact CD1-CB 4.32Å; F218-F232 HydrophobicContact CD2-CB 4.36Å; F218-F232 HydrophobicContact CE1-CB 3.74Å; F218-F232 AromaticContact CE1-CD1 3.91Å; F218-F232 HydrophobicContact CE1-CD1 3.91Å; F218-F232 HydrophobicContact CE1-CG 4.17Å; F218-F232 HydrophobicContact CE2-CB 3.77Å; F218-F232 HydrophobicContact CZ-CB 3.43Å; F218-F232 VanDerWaalsContact CZ-CB 3.43Å; F218-F232 HydrophobicContact CZ-CD1 4.21Å; F218-F232 HydrophobicContact CZ-CG 4.03Å; F218-F232 PolarHBondContact N-O 2.8Å; F218-F232 PolarHBondContact O-N 3.03Å; F218-F234 HydrophobicContact CD1-CE2 4.04Å; F218-F234 AromaticContact CE1-CE2 3.81Å; F218-F234 HydrophobicContact CE1-CE2 3.81Å; F218-F234 HydrophobicContact CE1-CZ 4.25Å
219V98Very high93.5Very high0 Ų025.2 Ų25.20%014%0.14CC..EExtended strand (participates in β ladder)trans-146.4141.2169.759.10000109.3N204 A205 L228 L231 V246 L250N204-V219 WeakPolarHBondContact CB-O 3.31Å; A205-V219 HydrophobicContact CB-CG1 4.22Å; A205-V219 PolarHBondContact N-O 3.17Å; A205-V219 PolarHBondContact O-N 3.22Å; V219-L228 HydrophobicContact CG2-CB 4.35Å; V219-L228 HydrophobicContact CG2-CD2 4.28Å; V219-L228 HydrophobicContact CG2-CG 4.44Å; V219-L231 HydrophobicContact CB-CB 4.44Å; V219-L231 HydrophobicContact CB-CD1 3.89Å; V219-L231 HydrophobicContact CG2-CB 4.12Å; V219-L231 HydrophobicContact CG2-CD1 4.29Å; V219-V246 HydrophobicContact CB-CG1 4.34Å; V219-V246 HydrophobicContact CG1-CG1 4.05Å; V219-V246 HydrophobicContact CG1-CG2 4.12Å; V219-L250 HydrophobicContact CB-CD2 4.11Å; V219-L250 HydrophobicContact CG1-CB 3.73Å; V219-L250 HydrophobicContact CG1-CD2 3.52Å; V219-L250 HydrophobicContact CG1-CG 4.27Å; V219-L250 HydrophobicContact CG2-CD2 3.64Å
220L96.7Very high93.3Very high0 Ų025.7 Ų25.70%014%0.142CC..EExtended strand (participates in β ladder)trans-112171.6178.9-70.8169.9000110.5L172 V180 I195 I199 N204 L228 N229 N230L172-L220 HydrophobicContact CD1-CD2 3.52Å; L172-L220 HydrophobicContact CD1-CG 4.1Å; V180-L220 HydrophobicContact CG1-CD1 3.7Å; I195-L220 HydrophobicContact CD1-CD1 3.65Å; I195-L220 HydrophobicContact CG2-CD1 4.35Å; I199-L220 HydrophobicContact CG1-CD2 3.76Å; N204-L220 HydrophobicContact CB-CD2 3.86Å; L220-L228 WeakPolarHBondContact O-CA 3.36Å; L220-N229 CarbonylContact C-O 3.57Å; L220-N229 PolarHBondContact N-O 2.87Å; L220-N229 PolarHBondContact O-N 2.91Å; L220-N229 VanDerWaalsContact O-O 3.11Å; L220-N230 HydrophobicContact CB-CB 4.35Å; L220-N230 HydrophobicContact CD1-CB 3.88Å; L220-N230 HydrophobicContact CG-CB 4.43Å
221V94.5Very high93.3Very high1 Ų121.9 Ų21.91%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-118.3139167.7-179.10000107.7F202 P203 Y227 L250 L254F202-V221 HydrophobicContact CB-CB 4.13Å; F202-V221 HydrophobicContact CD1-CB 3.98Å; F202-V221 HydrophobicContact CD1-CG1 3.61Å; F202-V221 HydrophobicContact CE1-CG1 4.15Å; F202-V221 HydrophobicContact CG-CB 4.38Å; F202-V221 HydrophobicContact CG-CG1 4.4Å; P203-V221 VanDerWaalsContact O-CG2 3.23Å; P203-V221 WeakPolarHBondContact O-CG2 3.1Å; V221-Y227 CarbonylContact C-O 3.58Å; V221-Y227 WeakPolarHBondContact CA-O 3.27Å; V221-L250 HydrophobicContact CG2-CD1 3.8Å; V221-L250 HydrophobicContact CG2-CD2 3.64Å; V221-L250 HydrophobicContact CG2-CG 4.09Å; V221-L254 HydrophobicContact CG2-CD1 4.12Å; V221-L254 HydrophobicContact CG2-CD2 4.09Å; V221-L254 HydrophobicContact CG2-CG 4.47Å
222D89.3Confident93.3Very high10 Ų1019 Ų195%0.05310%0.102CC..  trans-66.8136.2168.9-178.9-98.5000110.6R198 E224 Y225 G226 Y227R198-D222 IonicContact CZ-OD2 2.8Å; R198-D222 IonicContact NE-OD2 3.87Å; R198-D222 IonicContact NH2-OD2 3.62Å; R198-D222 PolarHBondContact NH2-OD2 3.02Å; D222-E224 PolarHBondContact O-N 2.81Å; D222-E224 PolarHBondContact OD1-N 2.91Å; D222-Y225 PolarHBondContact OD1-N 3.21Å; D222-G226 VanDerWaalsContact O-CA 3.26Å; D222-G226 WeakPolarHBondContact O-CA 3.39Å; D222-G226 PolarHBondContact O-N 2.92Å; D222-Y227 HydrophobicContact CB-CD1 3.57Å; D222-Y227 HydrophobicContact CB-CD2 4.04Å; D222-Y227 HydrophobicContact CB-CE1 3.24Å; D222-Y227 HydrophobicContact CB-CE2 3.77Å; D222-Y227 HydrophobicContact CB-CG 3.92Å; D222-Y227 PolarHBondContact N-O 2.85Å; D222-Y227 WeakPolarHBondContact OD1-CE1 3.17Å; D222-Y227 PolarHBondContact OD2-OH 3.05Å
223S72.5Confident93.3Very high3 Ų315.4 Ų15.42%0.0218%0.083CC..THydrogen-bonded Turntrans-82.4-14.7-163.960.80000115.7R201 F202R201-S223 PolarHBondContact NH2-OG 2.99Å; F202-S223 WeakPolarHBondContact CE2-O 3.49Å; F202-S223 WeakPolarHBondContact CZ-O 3.49Å
224E79Confident93.4Very high4 Ų413.7 Ų13.72%0.0197%0.072CC..THydrogen-bonded Turntrans-117.5-25.4-174.8-50-46.513200112.1L33 S42 L68 R201 D222L33-E224 WeakPolarHBondContact CD1-O 3.26Å; S42-E224 VanDerWaalsContact CB-OE1 3.3Å; S42-E224 WeakPolarHBondContact CB-OE1 3.45Å; S42-E224 PolarHBondContact N-OE1 2.89Å; S42-E224 PolarHBondContact N-OE2 3.26Å; S42-E224 PolarHBondContact OG-OE1 2.99Å; S42-E224 PolarHBondContact OG-OE2 3.47Å; L68-E224 HydrophobicContact CD1-CB 4.33Å; L68-E224 HydrophobicContact CD1-CG 3.66Å; L68-E224 HydrophobicContact CD2-CG 4.07Å; R201-E224 IonicContact CZ-OE1 2.87Å; R201-E224 IonicContact NH1-OE1 2.81Å; R201-E224 PolarHBondContact NH1-OE1 3.32Å; R201-E224 VanDerWaalsContact NH1-OE1 3.15Å; R201-E224 IonicContact NH2-OE1 3.76Å; R201-E224 PolarHBondContact NH2-OE1 3.29Å; D222-E224 PolarHBondContact O-N 2.81Å; D222-E224 PolarHBondContact OD1-N 2.91Å
225Y88.8Confident93.3Very high2 Ų215.8 Ų15.81%0.0089%0.085CC..THydrogen-bonded Turntrans-117.9-6.2178.7-57.6-80000113.1V26 H29 W30 V64 Y78 A80 V114 D222 Y227 Y262V26-Y225 HydrophobicContact CG1-CD1 3.57Å; V26-Y225 HydrophobicContact CG1-CE1 4.28Å; V26-Y225 HydrophobicContact CG1-CG 4.18Å; H29-Y225 WeakPolarHBondContact CB-O 3.14Å; W30-Y225 AromaticContact CD1-CE1 3.85Å; V64-Y225 HydrophobicContact CG2-CE1 4.37Å; Y78-Y225 WeakPolarHBondContact CB-OH 3.4Å; Y78-Y225 PolarHBondContact O-OH 2.88Å; A80-Y225 HydrophobicContact CB-CD1 4.14Å; A80-Y225 HydrophobicContact CB-CE1 3.55Å; V114-Y225 HydrophobicContact CB-CD2 4.11Å; V114-Y225 HydrophobicContact CB-CE1 4.44Å; V114-Y225 HydrophobicContact CB-CE2 3.96Å; V114-Y225 HydrophobicContact CB-CG 4.4Å; V114-Y225 HydrophobicContact CG1-CD1 4.4Å; V114-Y225 HydrophobicContact CG1-CD2 3.73Å; V114-Y225 HydrophobicContact CG1-CE2 4.11Å; V114-Y225 HydrophobicContact CG1-CG 3.87Å; V114-Y225 HydrophobicContact CG2-CD2 3.92Å; V114-Y225 HydrophobicContact CG2-CE2 3.45Å; V114-Y225 VanDerWaalsContact CG2-CE2 3.45Å; D222-Y225 PolarHBondContact OD1-N 3.21Å; Y225-Y227 VanDerWaalsContact C-N 3.33Å; Y225-Y227 PolarHBondContact O-N 3.45Å; Y225-Y262 WeakPolarHBondContact O-CE1 3.15Å; Y225-Y262 VanDerWaalsContact O-CZ 3.26Å; Y225-Y262 PolarHBondContact O-OH 3.17Å
226G87.4Confident93.2Very high1 Ų122.5 Ų22.51%0.0112%0.121CC..  trans73.812.7166.800000116.5D222D222-G226 VanDerWaalsContact O-CA 3.26Å; D222-G226 WeakPolarHBondContact O-CA 3.39Å; D222-G226 PolarHBondContact O-N 2.92Å
227Y93.8Very high93.1Very high12 Ų1224.3 Ų24.35%0.04713%0.129CC..  trans-79.8149.2174.758.5-85000111.7V114 V221 D222 Y225 N229 Y262 H264 W291V114-Y227 HydrophobicContact CG1-CE1 4.24Å; V221-Y227 CarbonylContact C-O 3.58Å; V221-Y227 WeakPolarHBondContact CA-O 3.27Å; D222-Y227 HydrophobicContact CB-CD1 3.57Å; D222-Y227 HydrophobicContact CB-CD2 4.04Å; D222-Y227 HydrophobicContact CB-CE1 3.24Å; D222-Y227 HydrophobicContact CB-CE2 3.77Å; D222-Y227 HydrophobicContact CB-CG 3.92Å; D222-Y227 PolarHBondContact N-O 2.85Å; D222-Y227 WeakPolarHBondContact OD1-CE1 3.17Å; D222-Y227 PolarHBondContact OD2-OH 3.05Å; Y225-Y227 VanDerWaalsContact C-N 3.33Å; Y225-Y227 PolarHBondContact O-N 3.45Å; Y227-N229 HydrophobicContact CD2-CB 4.16Å; Y227-N229 HydrophobicContact CE2-CB 3.9Å; Y227-N229 PolarHBondContact O-N 3.31Å; Y227-Y262 CarbonylContact C-O 3.53Å; Y227-Y262 VanDerWaalsContact CA-O 3.31Å; Y227-Y262 WeakPolarHBondContact CA-O 3.26Å; Y227-Y262 VanDerWaalsContact CB-CZ 3.5Å; Y227-Y262 HydrophobicContact CG-CE2 4.5Å; Y227-H264 AromaticContact CD1-CE1 3.75Å; Y227-H264 AromaticContact CD1-ND1 3.98Å; Y227-H264 AromaticContact CD2-ND1 3.59Å; Y227-H264 AromaticContact CE2-ND1 3.97Å; Y227-H264 AromaticContact CG-CE1 3.7Å; Y227-H264 AromaticContact CG-ND1 3.63Å; Y227-W291 AromaticContact CE2-CZ2 4Å; Y227-W291 HydrophobicContact CE2-CZ2 4Å; Y227-W291 AromaticContact CZ-CZ2 3.8Å; Y227-W291 WeakPolarHBondContact OH-CZ2 3.46Å
228L96.5Very high93Very high11 Ų1130.6 Ų30.66%0.05815%0.152CC..EExtended strand (participates in β ladder)trans-64.9130.1170.9-76.469.1000109.5V219 L220 E247 L250 L251 L254 P261 Y262 K263 W282V219-L228 HydrophobicContact CG2-CB 4.35Å; V219-L228 HydrophobicContact CG2-CD2 4.28Å; V219-L228 HydrophobicContact CG2-CG 4.44Å; L220-L228 WeakPolarHBondContact O-CA 3.36Å; L228-E247 HydrophobicContact CD2-CG 3.72Å; L228-L250 HydrophobicContact CD2-CD2 4.11Å; L228-L250 HydrophobicContact CG-CD2 3.81Å; L228-L251 HydrophobicContact CD1-CD2 4.08Å; L228-L251 HydrophobicContact CD2-CD2 3.73Å; L228-L254 HydrophobicContact CD1-CD1 3.69Å; L228-P261 HydrophobicContact CD1-CB 4.26Å; L228-Y262 VanDerWaalsContact CD1-O 3.3Å; L228-Y262 WeakPolarHBondContact CD1-O 3.45Å; L228-Y262 PolarHBondContact N-O 2.86Å; L228-K263 HydrophobicContact CB-CB 3.94Å; L228-W282 HydrophobicContact CD1-CH2 4.3Å; L228-W282 HydrophobicContact CD2-CH2 4.24Å; L228-W282 HydrophobicContact CD2-CZ2 4.04Å
229N92.7Very high92.7Very high22 Ų2242.5 Ų42.512%0.11820%0.197CC..EExtended strand (participates in β ladder)trans-134.1162-176.8-159.51000111R198 L220 Y227 L231R198-N229 PolarHBondContact NH1-ND2 2.78Å; L220-N229 CarbonylContact C-O 3.57Å; L220-N229 PolarHBondContact N-O 2.87Å; L220-N229 PolarHBondContact O-N 2.91Å; L220-N229 VanDerWaalsContact O-O 3.11Å; Y227-N229 HydrophobicContact CD2-CB 4.16Å; Y227-N229 HydrophobicContact CE2-CB 3.9Å; Y227-N229 PolarHBondContact O-N 3.31Å; N229-L231 PolarHBondContact O-N 2.82Å
230N94.1Very high92.5Very high18 Ų1845.7 Ų45.710%0.09621%0.214CC..EExtended strand (participates in β ladder)trans53.332.3171.9-59.791.4000114.6F218 L220 F232F218-N230 WeakPolarHBondContact CD2-O 3.25Å; F218-N230 HydrophobicContact CE2-CB 4.3Å; F218-N230 WeakPolarHBondContact CE2-O 3.17Å; L220-N230 HydrophobicContact CB-CB 4.35Å; L220-N230 HydrophobicContact CD1-CB 3.88Å; L220-N230 HydrophobicContact CG-CB 4.43Å; N230-F232 PolarHBondContact O-N 2.98Å; N230-F232 VanDerWaalsContact O-N 3.16Å
231L96.6Very high92.4Very high47 Ų4747.9 Ų47.925%0.24624%0.237CC..EExtended strand (participates in β ladder)trans-58.9122.7171.4174.467.2000109.5F218 V219 N229 V246 M275F218-L231 WeakPolarHBondContact O-CA 3.33Å; V219-L231 HydrophobicContact CB-CB 4.44Å; V219-L231 HydrophobicContact CB-CD1 3.89Å; V219-L231 HydrophobicContact CG2-CB 4.12Å; V219-L231 HydrophobicContact CG2-CD1 4.29Å; N229-L231 PolarHBondContact O-N 2.82Å; L231-V246 HydrophobicContact CD1-CG1 3.59Å; L231-M275 HydrophobicContact CD2-CE 3.4Å; L231-M275 VanDerWaalsContact CD2-CE 3.4Å; L231-M275 HydrophobicContact CD2-SD 4.29Å
232F97.3Very high92.4Very high47 Ų4748.2 Ų48.221%0.20624%0.239CC..EExtended strand (participates in β ladder)trans-143.4143.4-178.8-165.7-96.9000112.1C183 A217 F218 N230 F234C183-F232 HydrophobicContact CB-CD1 4.12Å; C183-F232 HydrophobicContact CB-CD2 4.13Å; C183-F232 HydrophobicContact CB-CE1 4.06Å; C183-F232 HydrophobicContact CB-CE2 4.08Å; C183-F232 HydrophobicContact CB-CG 4.15Å; C183-F232 HydrophobicContact CB-CZ 4.04Å; A217-F232 CarbonylContact C-O 3.41Å; A217-F232 WeakPolarHBondContact CA-O 3.26Å; F218-F232 HydrophobicContact CD1-CB 4.32Å; F218-F232 HydrophobicContact CD2-CB 4.36Å; F218-F232 HydrophobicContact CE1-CB 3.74Å; F218-F232 AromaticContact CE1-CD1 3.91Å; F218-F232 HydrophobicContact CE1-CD1 3.91Å; F218-F232 HydrophobicContact CE1-CG 4.17Å; F218-F232 HydrophobicContact CE2-CB 3.77Å; F218-F232 HydrophobicContact CZ-CB 3.43Å; F218-F232 VanDerWaalsContact CZ-CB 3.43Å; F218-F232 HydrophobicContact CZ-CD1 4.21Å; F218-F232 HydrophobicContact CZ-CG 4.03Å; F218-F232 PolarHBondContact N-O 2.8Å; F218-F232 PolarHBondContact O-N 3.03Å; N230-F232 PolarHBondContact O-N 2.98Å; N230-F232 VanDerWaalsContact O-N 3.16Å; F232-F234 HydrophobicContact CD1-CD2 4.1Å; F232-F234 HydrophobicContact CD1-CE2 4.23Å; F232-F234 HydrophobicContact CD1-CG 4.34Å; F232-F234 HydrophobicContact CE1-CB 4.46Å; F232-F234 HydrophobicContact CE1-CD1 4.03Å; F232-F234 HydrophobicContact CE1-CD2 4.18Å; F232-F234 HydrophobicContact CE1-CE1 4.28Å; F232-F234 HydrophobicContact CE1-CE2 4.43Å; F232-F234 AromaticContact CE1-CG 3.97Å; F232-F234 HydrophobicContact CE1-CG 3.97Å; F232-F234 HydrophobicContact CE1-CZ 4.47Å
233V97.3Very high92.7Very high24 Ų2448.2 Ų48.215%0.14524%0.241CC..EExtended strand (participates in β ladder)trans-127.2122.3170-1750000107.8A217 F237 R238 L242A217-V233 HydrophobicContact CB-CB 4.41Å; A217-V233 HydrophobicContact CB-CG1 4.37Å; A217-V233 HydrophobicContact CB-CG2 3.94Å; V233-F237 HydrophobicContact CG1-CB 4.39Å; V233-F237 WeakPolarHBondContact CG1-O 3.37Å; V233-R238 HydrophobicContact CB-CG 4.15Å; V233-R238 HydrophobicContact CG1-CG 3.9Å; V233-R238 PolarHBondContact O-NE 2.55Å; V233-L242 HydrophobicContact CG1-CB 4.42Å
234F97.1Very high93.8Very high36 Ų3650.3 Ų50.316%0.15826%0.255CS..  trans-61.6142.1-179.7-78.5-93.9000110.5L179 L215 A216 F218 F232 N236 F237 R238L179-F234 HydrophobicContact CD1-CE1 4.06Å; L179-F234 HydrophobicContact CD1-CZ 4.02Å; L179-F234 HydrophobicContact CD2-CE1 4.45Å; L179-F234 HydrophobicContact CD2-CZ 3.87Å; L179-F234 HydrophobicContact CG-CE1 4.39Å; L179-F234 HydrophobicContact CG-CZ 3.85Å; L215-F234 HydrophobicContact CB-CD2 4.44Å; L215-F234 HydrophobicContact CB-CE2 3.79Å; L215-F234 HydrophobicContact CB-CZ 4.43Å; L215-F234 WeakPolarHBondContact O-CD2 3.49Å; A216-F234 PolarHBondContact O-N 3.21Å; F218-F234 HydrophobicContact CD1-CE2 4.04Å; F218-F234 AromaticContact CE1-CE2 3.81Å; F218-F234 HydrophobicContact CE1-CE2 3.81Å; F218-F234 HydrophobicContact CE1-CZ 4.25Å; F232-F234 HydrophobicContact CD1-CD2 4.1Å; F232-F234 HydrophobicContact CD1-CE2 4.23Å; F232-F234 HydrophobicContact CD1-CG 4.34Å; F232-F234 HydrophobicContact CE1-CB 4.46Å; F232-F234 HydrophobicContact CE1-CD1 4.03Å; F232-F234 HydrophobicContact CE1-CD2 4.18Å; F232-F234 HydrophobicContact CE1-CE1 4.28Å; F232-F234 HydrophobicContact CE1-CE2 4.43Å; F232-F234 AromaticContact CE1-CG 3.97Å; F232-F234 HydrophobicContact CE1-CG 3.97Å; F232-F234 HydrophobicContact CE1-CZ 4.47Å; F234-N236 VanDerWaalsContact C-N 3.25Å; F234-N236 PolarHBondContact O-N 3.24Å; F234-N236 VanDerWaalsContact O-N 3.08Å; F234-F237 HydrophobicContact CB-CD2 3.88Å; F234-F237 HydrophobicContact CB-CE2 4.38Å; F234-F237 PolarHBondContact O-N 3.44Å; F234-R238 PolarHBondContact O-N 3Å
235P96.1Very high94.5Very high82 Ų8250.8 Ų50.853%0.53226%0.26SS..G310 helixtrans-48.6-42.7-171.1-31.536.4000114.9F237 R238P235-F237 PolarHBondContact O-N 3.25Å; P235-R238 PolarHBondContact O-N 3.06Å
236N95.7Very high94.9Very high150 Ų15050.7 Ų50.780%0.80226%0.259SS*.G310 helixtrans-69.5-12.8-177.3-63.4-15000114.1F234F234-N236 VanDerWaalsContact C-N 3.25Å; F234-N236 PolarHBondContact O-N 3.24Å; F234-N236 VanDerWaalsContact O-N 3.08Å
237F96.1Very high95.4Very high38 Ų3851 Ų5117%0.16726%0.26CS..G310 helixtrans-118.411.5-178.7-47.5-66.1000113.1F167 A216 V233 F234 P235 L240 L242F167-F237 HydrophobicContact CE1-CB 4.42Å; F167-F237 AromaticContact CE1-CD1 3.57Å; F167-F237 HydrophobicContact CE1-CD1 3.57Å; F167-F237 AromaticContact CE1-CE1 3.93Å; F167-F237 HydrophobicContact CE1-CE1 3.93Å; F167-F237 HydrophobicContact CE1-CG 4.04Å; F167-F237 HydrophobicContact CZ-CB 4.35Å; F167-F237 AromaticContact CZ-CD1 3.69Å; F167-F237 HydrophobicContact CZ-CD1 3.69Å; F167-F237 HydrophobicContact CZ-CE1 4.35Å; F167-F237 HydrophobicContact CZ-CG 4.28Å; A216-F237 VanDerWaalsContact CA-CD2 3.41Å; A216-F237 HydrophobicContact CB-CB 4.18Å; A216-F237 HydrophobicContact CB-CD1 4.46Å; A216-F237 HydrophobicContact CB-CD2 3.57Å; A216-F237 HydrophobicContact CB-CE2 3.95Å; A216-F237 HydrophobicContact CB-CG 3.83Å; V233-F237 HydrophobicContact CG1-CB 4.39Å; V233-F237 WeakPolarHBondContact CG1-O 3.37Å; F234-F237 HydrophobicContact CB-CD2 3.88Å; F234-F237 HydrophobicContact CB-CE2 4.38Å; F234-F237 PolarHBondContact O-N 3.44Å; P235-F237 PolarHBondContact O-N 3.25Å; F237-L240 HydrophobicContact CB-CD1 4.46Å; F237-L242 HydrophobicContact CB-CD1 3.78Å
238R94.8Very high95.5Very high132 Ų13251.2 Ų51.250%0.49826%0.262SS..THydrogen-bonded Turntrans-71159.4177.4-70.1-178.6-178.3175.4-0.6111.9V233 F234 P235 L240V233-R238 HydrophobicContact CB-CG 4.15Å; V233-R238 HydrophobicContact CG1-CG 3.9Å; V233-R238 PolarHBondContact O-NE 2.55Å; F234-R238 PolarHBondContact O-N 3Å; P235-R238 PolarHBondContact O-N 3.06Å; R238-L240 PolarHBondContact O-N 3.43Å
239R92.8Very high95.4Very high253 Ų25351.5 Ų51.596%0.95526%0.264SS*.THydrogen-bonded Turntrans63.819.1179.5-44.3180-146.2-170.15114.5
240L93.8Very high95.7Very high66 Ų6650.4 Ų50.435%0.34626%0.258SS..SBendtrans-103.911.7174.3-59178.9000112.8F167 F237 R238 L242F167-L240 HydrophobicContact CE2-CD1 3.95Å; F167-L240 HydrophobicContact CZ-CD1 3.88Å; F237-L240 HydrophobicContact CB-CD1 4.46Å; R238-L240 PolarHBondContact O-N 3.43Å; L240-L242 HydrophobicContact CB-CG 4.13Å; L240-L242 PolarHBondContact O-N 3.25Å
241G93.4Very high95.8Very high47 Ų4749.6 Ų49.649%0.48525%0.254SS..SBendtrans74.1-0.5-176.800000115.5G243 S244 A245G241-G243 VanDerWaalsContact C-N 3.3Å; G241-G243 PolarHBondContact O-N 3.33Å; G241-S244 PolarHBondContact O-N 3.11Å; G241-A245 PolarHBondContact O-N 3.31Å
242L95.6Very high95.7Very high8 Ų849.1 Ų49.14%0.04225%0.25CS..Hα-helixtrans-59.3-35-175-63.4-179000114.4F167 F207 A216 A217 V233 F237 L240 A245 V246F167-L242 HydrophobicContact CD1-CD1 4.33Å; F167-L242 HydrophobicContact CD2-CD1 4.3Å; F167-L242 HydrophobicContact CD2-CD2 3.88Å; F167-L242 HydrophobicContact CE1-CD1 4.07Å; F167-L242 HydrophobicContact CE2-CD1 4.02Å; F167-L242 HydrophobicContact CE2-CD2 4.21Å; F167-L242 HydrophobicContact CG-CD1 4.44Å; F167-L242 HydrophobicContact CG-CD2 4.24Å; F167-L242 HydrophobicContact CZ-CD1 3.9Å; F207-L242 HydrophobicContact CD2-CB 4.38Å; F207-L242 HydrophobicContact CD2-CD2 3.99Å; F207-L242 HydrophobicContact CE2-CD2 4.28Å; F207-L242 HydrophobicContact CG-CD2 4.2Å; A216-L242 HydrophobicContact CB-CD1 4.06Å; A217-L242 HydrophobicContact CB-CB 3.96Å; V233-L242 HydrophobicContact CG1-CB 4.42Å; F237-L242 HydrophobicContact CB-CD1 3.78Å; L240-L242 HydrophobicContact CB-CG 4.13Å; L240-L242 PolarHBondContact O-N 3.25Å; L242-A245 PolarHBondContact O-N 3.35Å; L242-V246 WeakPolarHBondContact O-CB 3.48Å; L242-V246 WeakPolarHBondContact O-CG1 3.32Å; L242-V246 PolarHBondContact O-N 3.07Å
243G95.5Very high95.6Very high9 Ų949.9 Ų49.99%0.09325%0.253CS..Hα-helixtrans-62.2-48179.700000112.3G241 V246 E247G241-G243 VanDerWaalsContact C-N 3.3Å; G241-G243 PolarHBondContact O-N 3.33Å; G243-V246 WeakPolarHBondContact O-CG1 3.34Å; G243-E247 WeakPolarHBondContact O-CB 3.36Å; G243-E247 PolarHBondContact O-N 3.17Å
244S94.8Very high95.5Very high48 Ų4848.7 Ų48.734%0.33625%0.247SC..Hα-helixtrans-67.3-42.3175.4-52.50000111.2G241 V246 E247 L248 M275G241-S244 PolarHBondContact O-N 3.11Å; S244-V246 PolarHBondContact O-N 3.34Å; S244-E247 WeakPolarHBondContact O-CB 3.46Å; S244-E247 PolarHBondContact O-N 3.45Å; S244-L248 VanDerWaalsContact O-CG 3.27Å; S244-L248 WeakPolarHBondContact O-CG 3.41Å; S244-L248 PolarHBondContact O-N 3.17Å; S244-M275 WeakPolarHBondContact OG-CG 3.42Å; S244-M275 PolarHBondContact OG-SD 3.39Å
245A95.2Very high95.4Very high13 Ų1348 Ų4811%0.10725%0.245CC..Hα-helixtrans-61.4-43.5-179.200000112.7L161 F163 F207 G241 L242 E247 L248 L249L161-A245 HydrophobicContact CD2-CB 3.89Å; F163-A245 HydrophobicContact CD1-CB 4.48Å; F163-A245 HydrophobicContact CE1-CB 4.24Å; F207-A245 HydrophobicContact CE2-CB 3.73Å; F207-A245 HydrophobicContact CZ-CB 3.95Å; G241-A245 PolarHBondContact O-N 3.31Å; L242-A245 PolarHBondContact O-N 3.35Å; A245-E247 VanDerWaalsContact C-N 3.33Å; A245-L248 PolarHBondContact O-N 3.27Å; A245-L249 WeakPolarHBondContact O-CG 3.46Å; A245-L249 PolarHBondContact O-N 3.07Å
246V96.8Very high95.3Very high0 Ų051.4 Ų51.40%025%0.251CS..Hα-helixtrans-71.5-34.1-178.579.50000111.2A205 F207 A217 V219 L231 L242 G243 S244 L249 L250A205-V246 VanDerWaalsContact C-CG2 3.49Å; A205-V246 HydrophobicContact CB-CG2 3.81Å; A205-V246 VanDerWaalsContact O-CG2 3.28Å; A205-V246 WeakPolarHBondContact O-CG2 3.21Å; F207-V246 HydrophobicContact CD2-CB 3.82Å; F207-V246 HydrophobicContact CD2-CG2 4.07Å; F207-V246 HydrophobicContact CE2-CB 3.75Å; F207-V246 HydrophobicContact CE2-CG2 4.24Å; A217-V246 HydrophobicContact CB-CG1 4.3Å; V219-V246 HydrophobicContact CB-CG1 4.34Å; V219-V246 HydrophobicContact CG1-CG1 4.05Å; V219-V246 HydrophobicContact CG1-CG2 4.12Å; L231-V246 HydrophobicContact CD1-CG1 3.59Å; L242-V246 WeakPolarHBondContact O-CB 3.48Å; L242-V246 WeakPolarHBondContact O-CG1 3.32Å; L242-V246 PolarHBondContact O-N 3.07Å; G243-V246 WeakPolarHBondContact O-CG1 3.34Å; S244-V246 PolarHBondContact O-N 3.34Å; V246-L249 PolarHBondContact O-N 3.46Å; V246-L250 PolarHBondContact O-N 2.97Å
247E96.7Very high95Very high7 Ų747.4 Ų47.43%0.03323%0.229CC..Hα-helixtrans-60.5-50.5172.3-173.8172.683.600110.8L228 G243 S244 A245 L249 L250 L251 K263 W282L228-E247 HydrophobicContact CD2-CG 3.72Å; G243-E247 WeakPolarHBondContact O-CB 3.36Å; G243-E247 PolarHBondContact O-N 3.17Å; S244-E247 WeakPolarHBondContact O-CB 3.46Å; S244-E247 PolarHBondContact O-N 3.45Å; A245-E247 VanDerWaalsContact C-N 3.33Å; E247-L249 VanDerWaalsContact C-N 3.31Å; E247-L249 PolarHBondContact O-N 3.38Å; E247-L250 WeakPolarHBondContact O-CA 3.43Å; E247-L250 WeakPolarHBondContact O-CB 3.33Å; E247-L250 PolarHBondContact O-N 2.91Å; E247-L251 WeakPolarHBondContact O-CG 3.22Å; E247-L251 PolarHBondContact O-N 3.06Å; E247-K263 IonicContact OE1-NZ 3.76Å; E247-K263 PolarHBondContact OE1-NZ 3.26Å; E247-K263 IonicContact OE2-NZ 3.78Å; E247-K263 PolarHBondContact OE2-NZ 3.09Å; E247-W282 HydrophobicContact CG-CZ2 4.03Å; E247-W282 PolarHBondContact OE1-NE1 3.12Å
248L96Very high94.8Very high17 Ų1747.7 Ų47.79%0.08924%0.243CC..Hα-helixtrans-56.8-42.4178.5-66.8172.7000112.9L154 T157 I158 L161 S244 A245 L250 L251 Q252 L281L154-L248 HydrophobicContact CD1-CD2 3.92Å; T157-L248 HydrophobicContact CG2-CD1 4.06Å; I158-L248 WeakPolarHBondContact CD1-O 3.5Å; I158-L248 HydrophobicContact CG1-CB 4.22Å; L161-L248 HydrophobicContact CD1-CD1 3.4Å; S244-L248 VanDerWaalsContact O-CG 3.27Å; S244-L248 WeakPolarHBondContact O-CG 3.41Å; S244-L248 PolarHBondContact O-N 3.17Å; A245-L248 PolarHBondContact O-N 3.27Å; L248-L250 VanDerWaalsContact C-N 3.29Å; L248-L250 PolarHBondContact O-N 3.27Å; L248-L251 HydrophobicContact CD2-CD1 4.28Å; L248-L251 PolarHBondContact O-N 2.93Å; L248-Q252 PolarHBondContact O-N 2.88Å; L248-L281 HydrophobicContact CD2-CD1 3.3Å
249L95.9Very high94.7Very high17 Ų1741.6 Ų41.69%0.08922%0.22CC..Hα-helixtrans-59.8-41.5176.1-70.8169.8000111.7F163 V169 A205 F207 A245 V246 E247 Q252 K253F163-L249 HydrophobicContact CE1-CD1 4.06Å; F163-L249 HydrophobicContact CE1-CG 4.42Å; F163-L249 HydrophobicContact CZ-CD1 4.21Å; F163-L249 HydrophobicContact CZ-CD2 3.91Å; F163-L249 HydrophobicContact CZ-CG 4.28Å; V169-L249 HydrophobicContact CB-CD1 4.26Å; V169-L249 HydrophobicContact CG1-CD1 3.72Å; V169-L249 HydrophobicContact CG1-CD2 4.49Å; V169-L249 HydrophobicContact CG2-CD1 3.51Å; V169-L249 HydrophobicContact CG2-CD2 4.45Å; A205-L249 HydrophobicContact CB-CB 4.12Å; F207-L249 HydrophobicContact CE1-CD1 4.27Å; F207-L249 HydrophobicContact CE2-CD1 4.15Å; F207-L249 HydrophobicContact CZ-CD1 3.65Å; A245-L249 WeakPolarHBondContact O-CG 3.46Å; A245-L249 PolarHBondContact O-N 3.07Å; V246-L249 PolarHBondContact O-N 3.46Å; E247-L249 VanDerWaalsContact C-N 3.31Å; E247-L249 PolarHBondContact O-N 3.38Å; L249-Q252 PolarHBondContact O-N 3.49Å; L249-K253 PolarHBondContact O-N 3.34Å
250L97.1Very high94.8Very high0 Ų030.4 Ų30.40%018%0.179CC..Hα-helixtrans-68.1-41.6175.6-179.858.3000111.9P203 A205 V219 V221 L228 V246 E247 L248 Q252 K253 L254P203-L250 HydrophobicContact CB-CD1 3.89Å; P203-L250 WeakPolarHBondContact O-CD1 3.47Å; A205-L250 HydrophobicContact CB-CB 4.17Å; V219-L250 HydrophobicContact CB-CD2 4.11Å; V219-L250 HydrophobicContact CG1-CB 3.73Å; V219-L250 HydrophobicContact CG1-CD2 3.52Å; V219-L250 HydrophobicContact CG1-CG 4.27Å; V219-L250 HydrophobicContact CG2-CD2 3.64Å; V221-L250 HydrophobicContact CG2-CD1 3.8Å; V221-L250 HydrophobicContact CG2-CD2 3.64Å; V221-L250 HydrophobicContact CG2-CG 4.09Å; L228-L250 HydrophobicContact CD2-CD2 4.11Å; L228-L250 HydrophobicContact CG-CD2 3.81Å; V246-L250 PolarHBondContact O-N 2.97Å; E247-L250 WeakPolarHBondContact O-CA 3.43Å; E247-L250 WeakPolarHBondContact O-CB 3.33Å; E247-L250 PolarHBondContact O-N 2.91Å; L248-L250 VanDerWaalsContact C-N 3.29Å; L248-L250 PolarHBondContact O-N 3.27Å; L250-Q252 PolarHBondContact O-N 3.47Å; L250-K253 PolarHBondContact O-N 3.45Å; L250-K253 VanDerWaalsContact O-N 3.08Å; L250-L254 HydrophobicContact CD1-CG 4.27Å; L250-L254 HydrophobicContact CG-CD1 4.24Å; L250-L254 HydrophobicContact CG-CG 4.43Å; L250-L254 WeakPolarHBondContact O-CG 3.34Å; L250-L254 PolarHBondContact O-N 2.72Å
251L96.9Very high95Very high0 Ų027.4 Ų27.40%016%0.163CC..Hα-helixtrans-55.2-42.6175.4-56.6-173.9000111L154 L228 E247 L248 K253 L254 T255 P261 W282L154-L251 HydrophobicContact CD1-CB 3.92Å; L154-L251 HydrophobicContact CD1-CD1 4.16Å; L154-L251 HydrophobicContact CD2-CB 3.79Å; L228-L251 HydrophobicContact CD1-CD2 4.08Å; L228-L251 HydrophobicContact CD2-CD2 3.73Å; E247-L251 WeakPolarHBondContact O-CG 3.22Å; E247-L251 PolarHBondContact O-N 3.06Å; L248-L251 HydrophobicContact CD2-CD1 4.28Å; L248-L251 PolarHBondContact O-N 2.93Å; L251-K253 VanDerWaalsContact C-N 3.35Å; L251-K253 PolarHBondContact O-N 3.15Å; L251-L254 PolarHBondContact O-N 2.9Å; L251-T255 WeakPolarHBondContact O-CG2 3.44Å; L251-T255 PolarHBondContact O-N 3.43Å; L251-T255 PolarHBondContact O-OG1 3.24Å; L251-P261 HydrophobicContact CB-CG 4.28Å; L251-P261 HydrophobicContact CD2-CB 3.36Å; L251-P261 HydrophobicContact CD2-CG 3.99Å; L251-P261 HydrophobicContact CG-CB 4.46Å; L251-W282 HydrophobicContact CD1-CH2 4.35Å; L251-W282 HydrophobicContact CD1-CZ2 3.86Å; L251-W282 HydrophobicContact CD2-CH2 3.44Å; L251-W282 VanDerWaalsContact CD2-CH2 3.44Å; L251-W282 HydrophobicContact CD2-CZ2 3.43Å; L251-W282 VanDerWaalsContact CD2-CZ2 3.43Å; L251-W282 HydrophobicContact CG-CZ2 4.2Å
252Q95.7Very high95.2Very high38 Ų3825.1 Ų25.118%0.17814%0.14CC..Hα-helixtrans-62.7-40.2177.7-153.9-1714400113.2I158 L248 L249 L250 L254 T255 K256I158-Q252 HydrophobicContact CD1-CB 3.42Å; I158-Q252 VanDerWaalsContact CD1-CB 3.42Å; I158-Q252 HydrophobicContact CD1-CG 3.62Å; L248-Q252 PolarHBondContact O-N 2.88Å; L249-Q252 PolarHBondContact O-N 3.49Å; L250-Q252 PolarHBondContact O-N 3.47Å; Q252-L254 VanDerWaalsContact C-N 3.34Å; Q252-T255 PolarHBondContact O-OG1 3.4Å; Q252-K256 WeakPolarHBondContact O-CB 3.27Å; Q252-K256 VanDerWaalsContact O-CG 3.26Å; Q252-K256 WeakPolarHBondContact O-CG 3.4Å; Q252-K256 PolarHBondContact O-N 2.95Å; Q252-K256 VanDerWaalsContact O-N 3.15Å
253K95.4Very high95.2Very high62 Ų6225.2 Ų25.227%0.2714%0.14SC..Hα-helixtrans-63.1-45.6177.1-68.7-178.6-177.9-171.50110T171 P203 N204 L249 L250 L251 K256 M257T171-K253 PolarHBondContact OG1-NZ 3.44Å; P203-K253 HydrophobicContact CB-CB 4.06Å; P203-K253 HydrophobicContact CB-CD 4.33Å; N204-K253 PolarHBondContact O-NZ 3.37Å; L249-K253 PolarHBondContact O-N 3.34Å; L250-K253 PolarHBondContact O-N 3.45Å; L250-K253 VanDerWaalsContact O-N 3.08Å; L251-K253 VanDerWaalsContact C-N 3.35Å; L251-K253 PolarHBondContact O-N 3.15Å; K253-K256 PolarHBondContact O-N 3.48Å; K253-M257 WeakPolarHBondContact O-CG 3.38Å; K253-M257 PolarHBondContact O-N 2.92Å
254L95Very high95.2Very high0 Ų025.9 Ų25.90%014%0.141CC..Hα-helixtrans-64.2-47179.5-68.8177.8000112.6P203 V221 L228 L250 L251 Q252 K256 M257 G258 I259 P261P203-L254 HydrophobicContact CB-CD2 4.43Å; P203-L254 HydrophobicContact CG-CD2 4.24Å; V221-L254 HydrophobicContact CG2-CD1 4.12Å; V221-L254 HydrophobicContact CG2-CD2 4.09Å; V221-L254 HydrophobicContact CG2-CG 4.47Å; L228-L254 HydrophobicContact CD1-CD1 3.69Å; L250-L254 HydrophobicContact CD1-CG 4.27Å; L250-L254 HydrophobicContact CG-CD1 4.24Å; L250-L254 HydrophobicContact CG-CG 4.43Å; L250-L254 WeakPolarHBondContact O-CG 3.34Å; L250-L254 PolarHBondContact O-N 2.72Å; L251-L254 PolarHBondContact O-N 2.9Å; Q252-L254 VanDerWaalsContact C-N 3.34Å; L254-K256 VanDerWaalsContact C-N 3.31Å; L254-K256 PolarHBondContact O-N 2.81Å; L254-M257 CarbonylContact O-C 3.51Å; L254-M257 WeakPolarHBondContact O-CA 3.38Å; L254-M257 WeakPolarHBondContact O-CB 3.18Å; L254-M257 PolarHBondContact O-N 2.79Å; L254-G258 PolarHBondContact O-N 3.41Å; L254-I259 CarbonylContact C-O 3.54Å; L254-I259 HydrophobicContact CB-CB 4.21Å; L254-I259 HydrophobicContact CB-CG2 4.39Å; L254-I259 HydrophobicContact CD2-CB 4.26Å; L254-I259 HydrophobicContact CD2-CD1 4.05Å; L254-I259 HydrophobicContact CD2-CG2 4.07Å; L254-I259 WeakPolarHBondContact O-CB 3.48Å; L254-I259 PolarHBondContact O-N 3.47Å; L254-P261 HydrophobicContact CB-CG 3.99Å; L254-P261 HydrophobicContact CD1-CB 4.18Å; L254-P261 HydrophobicContact CD1-CG 4.35Å
255T94.8Very high95.3Very high21 Ų2124 Ų2413%0.12913%0.127CC..Hα-helixtrans-65.5-34.6-179.456.40000112.4L146 I151 L154 L251 Q252 M257 G258 P261L146-T255 HydrophobicContact CD2-CG2 3.89Å; I151-T255 HydrophobicContact CD1-CG2 4.34Å; I151-T255 HydrophobicContact CG1-CG2 4.05Å; L154-T255 HydrophobicContact CD2-CG2 3.9Å; L251-T255 WeakPolarHBondContact O-CG2 3.44Å; L251-T255 PolarHBondContact O-N 3.43Å; L251-T255 PolarHBondContact O-OG1 3.24Å; Q252-T255 PolarHBondContact O-OG1 3.4Å; T255-M257 PolarHBondContact O-N 2.96Å; T255-G258 PolarHBondContact O-N 2.9Å; T255-P261 HydrophobicContact CG2-CG 3.78Å
256K92.9Very high95.2Very high153 Ų15324.5 Ų24.567%0.66513%0.129SC*.Hα-helixtrans-62.6-20.7171.6-76.6174.4178.5173.30113.4Q252 K253 L254Q252-K256 WeakPolarHBondContact O-CB 3.27Å; Q252-K256 VanDerWaalsContact O-CG 3.26Å; Q252-K256 WeakPolarHBondContact O-CG 3.4Å; Q252-K256 PolarHBondContact O-N 2.95Å; Q252-K256 VanDerWaalsContact O-N 3.15Å; K253-K256 PolarHBondContact O-N 3.48Å; L254-K256 VanDerWaalsContact C-N 3.31Å; L254-K256 PolarHBondContact O-N 2.81Å
257M90.4Very high95.2Very high66 Ų6627.6 Ų27.633%0.32515%0.145SC..THydrogen-bonded Turntrans-96.96.6176.7-63.3169.763.200112.8L40 P203 K253 L254 T255 I259L40-M257 HydrophobicContact CD1-CE 3.34Å; L40-M257 HydrophobicContact CD2-CE 4.3Å; L40-M257 HydrophobicContact CG-CE 4.41Å; P203-M257 HydrophobicContact CB-SD 4.48Å; P203-M257 HydrophobicContact CG-CE 3.86Å; P203-M257 HydrophobicContact CG-SD 3.32Å; P203-M257 WeakPolarHBondContact CG-SD 3.41Å; K253-M257 WeakPolarHBondContact O-CG 3.38Å; K253-M257 PolarHBondContact O-N 2.92Å; L254-M257 CarbonylContact O-C 3.51Å; L254-M257 WeakPolarHBondContact O-CA 3.38Å; L254-M257 WeakPolarHBondContact O-CB 3.18Å; L254-M257 PolarHBondContact O-N 2.79Å; T255-M257 PolarHBondContact O-N 2.96Å; M257-I259 HydrophobicContact CB-CD1 4.2Å; M257-I259 HydrophobicContact CB-CG1 4.16Å; M257-I259 HydrophobicContact CE-CD1 4.18Å; M257-I259 PolarHBondContact O-N 3.39Å
258G91.4Very high95Very high45 Ų4532 Ų3246%0.46417%0.169SC..THydrogen-bonded Turntrans75.61.5-175.600000114.4H32 L254 T255H32-G258 PolarHBondContact NE2-O 3.36Å; L254-G258 PolarHBondContact O-N 3.41Å; T255-G258 PolarHBondContact O-N 2.9Å
259I92.5Very high95Very high3 Ų334 Ų342%0.01518%0.18CC..  trans-80.9129.7-178.4-60.9178.4000109H29 L33 L40 L254 M257 P261H29-I259 WeakPolarHBondContact NE2-CG2 3.12Å; L33-I259 HydrophobicContact CD2-CD1 4.43Å; L40-I259 HydrophobicContact CD1-CD1 4.38Å; L254-I259 CarbonylContact C-O 3.54Å; L254-I259 HydrophobicContact CB-CB 4.21Å; L254-I259 HydrophobicContact CB-CG2 4.39Å; L254-I259 HydrophobicContact CD2-CB 4.26Å; L254-I259 HydrophobicContact CD2-CD1 4.05Å; L254-I259 HydrophobicContact CD2-CG2 4.07Å; L254-I259 WeakPolarHBondContact O-CB 3.48Å; L254-I259 PolarHBondContact O-N 3.47Å; M257-I259 HydrophobicContact CB-CD1 4.2Å; M257-I259 HydrophobicContact CB-CG1 4.16Å; M257-I259 HydrophobicContact CE-CD1 4.18Å; M257-I259 PolarHBondContact O-N 3.39Å; I259-P261 WeakPolarHBondContact O-CD 3.39Å
260I95.3Very high94.9Very high19 Ų1940.9 Ų40.910%0.09721%0.209CC..  trans-81.7107.1178.6-60.5177.6000109.3L21 I25 H29 W145 P148 Y262L21-I260 HydrophobicContact CD1-CD1 3.48Å; L21-I260 VanDerWaalsContact CD1-CD1 3.48Å; I25-I260 HydrophobicContact CD1-CG2 4.22Å; H29-I260 PolarHBondContact CE1-O 2.88Å; H29-I260 PolarHBondContact NE2-O 3.16Å; H29-I260 VanDerWaalsContact NE2-O 3.08Å; W145-I260 HydrophobicContact CE3-CG2 3.79Å; W145-I260 HydrophobicContact CZ3-CG2 4.21Å; P148-I260 HydrophobicContact CG-CD1 4.48Å; I260-Y262 PolarHBondContact O-N 3.32Å
261P96.9Very high94.8Very high2 Ų245.4 Ų45.41%0.01324%0.238CC..  trans-63.9136.1-174.4-22.134.3000112.8W145 L146 L228 L251 L254 T255 I259 W282W145-P261 CarbonylContact C-O 3.5Å; W145-P261 WeakPolarHBondContact CA-O 3.49Å; L146-P261 HydrophobicContact CB-CB 4.1Å; L146-P261 HydrophobicContact CB-CG 4.24Å; L146-P261 HydrophobicContact CD2-CB 4.48Å; L146-P261 HydrophobicContact CD2-CG 3.86Å; L146-P261 PolarHBondContact N-O 2.87Å; L228-P261 HydrophobicContact CD1-CB 4.26Å; L251-P261 HydrophobicContact CB-CG 4.28Å; L251-P261 HydrophobicContact CD2-CB 3.36Å; L251-P261 HydrophobicContact CD2-CG 3.99Å; L251-P261 HydrophobicContact CG-CB 4.46Å; L254-P261 HydrophobicContact CB-CG 3.99Å; L254-P261 HydrophobicContact CD1-CB 4.18Å; L254-P261 HydrophobicContact CD1-CG 4.35Å; T255-P261 HydrophobicContact CG2-CG 3.78Å; I259-P261 WeakPolarHBondContact O-CD 3.39Å; P261-W282 HydrophobicContact CB-CH2 4.17Å; P261-W282 HydrophobicContact CB-CZ3 4.49Å
262Y97.6Very high94.7Very high0 Ų046.6 Ų46.60%025%0.247CC..EExtended strand (participates in β ladder)trans-149.5161.3172.981.7-72.4000111.8I25 V26 H29 V143 Y144 Y225 Y227 L228 I260 H264I25-Y262 VanDerWaalsContact CD1-CB 3.44Å; I25-Y262 HydrophobicContact CD1-CD1 4.16Å; I25-Y262 HydrophobicContact CD1-CD2 4.36Å; I25-Y262 HydrophobicContact CD1-CG 3.76Å; I25-Y262 HydrophobicContact CG1-CD1 3.99Å; I25-Y262 HydrophobicContact CG1-CD2 4.3Å; I25-Y262 HydrophobicContact CG1-CE1 4.45Å; I25-Y262 HydrophobicContact CG1-CG 3.91Å; I25-Y262 HydrophobicContact CG2-CD2 3.85Å; I25-Y262 HydrophobicContact CG2-CE2 4.02Å; I25-Y262 HydrophobicContact CG2-CG 4.32Å; V26-Y262 HydrophobicContact CG2-CE2 4.14Å; H29-Y262 HydrophobicContact CB-CE1 4.34Å; H29-Y262 AromaticContact CE1-CD1 3.52Å; H29-Y262 AromaticContact CE1-CE1 3.66Å; H29-Y262 AromaticContact CG-CE1 3.63Å; H29-Y262 AromaticContact ND1-CD1 3.69Å; H29-Y262 AromaticContact ND1-CE1 3.39Å; H29-Y262 WeakPolarHBondContact ND1-CE1 3.46Å; H29-Y262 AromaticContact NE2-CD1 4Å; V143-Y262 HydrophobicContact CG1-CD2 4.48Å; Y144-Y262 CarbonylContact O-C 3.56Å; Y144-Y262 VanDerWaalsContact O-CA 3.25Å; Y144-Y262 WeakPolarHBondContact O-CA 3.33Å; Y144-Y262 WeakPolarHBondContact O-CB 3.4Å; Y225-Y262 WeakPolarHBondContact O-CE1 3.15Å; Y225-Y262 VanDerWaalsContact O-CZ 3.26Å; Y225-Y262 PolarHBondContact O-OH 3.17Å; Y227-Y262 CarbonylContact C-O 3.53Å; Y227-Y262 VanDerWaalsContact CA-O 3.31Å; Y227-Y262 WeakPolarHBondContact CA-O 3.26Å; Y227-Y262 VanDerWaalsContact CB-CZ 3.5Å; Y227-Y262 HydrophobicContact CG-CE2 4.5Å; L228-Y262 VanDerWaalsContact CD1-O 3.3Å; L228-Y262 WeakPolarHBondContact CD1-O 3.45Å; L228-Y262 PolarHBondContact N-O 2.86Å; I260-Y262 PolarHBondContact O-N 3.32Å; Y262-H264 AromaticContact CE2-CE1 3.75Å; Y262-H264 AromaticContact CE2-NE2 3.52Å
263K97.2Very high94.7Very high9 Ų946.6 Ų46.64%0.03925%0.248CC..EExtended strand (participates in β ladder)trans-150.8154.8-177.870.4-176180-1770112.5Y144 L228 E247 V265 T276 W282Y144-K263 PolarHBondContact N-O 2.96Å; Y144-K263 PolarHBondContact O-N 3Å; L228-K263 HydrophobicContact CB-CB 3.94Å; E247-K263 IonicContact OE1-NZ 3.76Å; E247-K263 PolarHBondContact OE1-NZ 3.26Å; E247-K263 IonicContact OE2-NZ 3.78Å; E247-K263 PolarHBondContact OE2-NZ 3.09Å; K263-V265 HydrophobicContact CD-CG2 4.47Å; K263-V265 HydrophobicContact CG-CG2 4.37Å; K263-T276 WeakPolarHBondContact CE-OG1 3.38Å; K263-T276 PolarHBondContact NZ-OG1 2.85Å; K263-W282 HydrophobicContact CD-CD2 4.48Å; K263-W282 HydrophobicContact CD-CH2 4.07Å; K263-W282 HydrophobicContact CD-CZ2 3.7Å; K263-W282 HydrophobicContact CG-CH2 4.19Å; K263-W282 HydrophobicContact CG-CZ2 4.31Å; K263-W282 HydrophobicContact CG-CZ3 4.39Å; K263-W282 VanDerWaalsContact NZ-NE1 3.13Å
264H95.5Very high94.7Very high24 Ų2448.9 Ų48.911%0.11126%0.259CS..EExtended strand (participates in β ladder)trans-104.2134.1171.1-54.3128.7000109.3S115 M141 Y227 Y262S115-H264 WeakPolarHBondContact CB-NE2 3.5Å; S115-H264 PolarHBondContact OG-CD2 3.2Å; S115-H264 PolarHBondContact OG-CE1 3.29Å; S115-H264 PolarHBondContact OG-NE2 3.01Å; M141-H264 HydrophobicContact CB-CB 4.09Å; M141-H264 HydrophobicContact CE-CB 4.42Å; M141-H264 HydrophobicContact CG-CB 4.27Å; M141-H264 HydrophobicContact SD-CB 3.58Å; M141-H264 VanDerWaalsContact SD-CB 3.58Å; Y227-H264 AromaticContact CD1-CE1 3.75Å; Y227-H264 AromaticContact CD1-ND1 3.98Å; Y227-H264 AromaticContact CD2-ND1 3.59Å; Y227-H264 AromaticContact CE2-ND1 3.97Å; Y227-H264 AromaticContact CG-CE1 3.7Å; Y227-H264 AromaticContact CG-ND1 3.63Å; Y262-H264 AromaticContact CE2-CE1 3.75Å; Y262-H264 AromaticContact CE2-NE2 3.52Å
265V95.7Very high94.8Very high7 Ų750.8 Ų50.84%0.04227%0.269CS..EExtended strand (participates in β ladder)trans-122.7112.2172.6-170.90000108.3M141 Q142 Y144 K263 N269 L273M141-V265 CarbonylContact C-O 3.57Å; M141-V265 WeakPolarHBondContact CA-O 3.24Å; Q142-V265 PolarHBondContact N-O 3.47Å; Q142-V265 PolarHBondContact O-N 3.17Å; Y144-V265 HydrophobicContact CD2-CG2 4Å; Y144-V265 HydrophobicContact CE2-CB 4.37Å; Y144-V265 HydrophobicContact CE2-CG2 4.1Å; K263-V265 HydrophobicContact CD-CG2 4.47Å; K263-V265 HydrophobicContact CG-CG2 4.37Å; V265-N269 HydrophobicContact CG1-CB 4.4Å; V265-L273 HydrophobicContact CB-CD2 3.89Å; V265-L273 HydrophobicContact CB-CG 4.5Å; V265-L273 HydrophobicContact CG1-CB 4.49Å; V265-L273 HydrophobicContact CG1-CD2 3.58Å; V265-L273 HydrophobicContact CG1-CG 3.65Å
266V94.7Very high94.8Very high24 Ų2449.8 Ų49.815%0.14526%0.263CS..EExtended strand (participates in β ladder)trans-56.6139173.4-660000110.2K139 E140 M141 D268 N269K139-V266 HydrophobicContact CB-CG1 4.05Å; K139-V266 HydrophobicContact CD-CG1 4.15Å; K139-V266 HydrophobicContact CG-CG1 4Å; E140-V266 WeakPolarHBondContact O-CA 3.31Å; M141-V266 HydrophobicContact CG-CG1 3.8Å; M141-V266 HydrophobicContact SD-CG1 4.43Å; V266-D268 WeakPolarHBondContact CB-OD1 3.41Å; V266-D268 WeakPolarHBondContact CG2-OD1 3.43Å; V266-D268 PolarHBondContact O-N 2.84Å; V266-D268 VanDerWaalsContact O-N 3.17Å; V266-N269 HydrophobicContact CG2-CB 3.51Å; V266-N269 WeakPolarHBondContact O-CB 3.34Å; V266-N269 PolarHBondContact O-N 3.44Å
267L95.1Very high94.9Very high65 Ų6546.3 Ų46.334%0.3426%0.258SS..THydrogen-bonded Turntrans-65-23-170.2-61.3-174.1000113.9E140 Q142 L273E140-L267 HydrophobicContact CB-CD1 4.04Å; E140-L267 HydrophobicContact CB-CG 4.38Å; E140-L267 VanDerWaalsContact CD-CD1 3.47Å; E140-L267 HydrophobicContact CG-CD1 3.7Å; E140-L267 HydrophobicContact CG-CG 4.28Å; E140-L267 PolarHBondContact O-N 3.38Å; Q142-L267 HydrophobicContact CB-CD2 4.02Å; L267-L273 WeakPolarHBondContact O-CD1 3.38Å
268D94.3Very high95.1Very high101 Ų10150.3 Ų50.354%0.5427%0.273SS..THydrogen-bonded Turntrans-80.9-13.4175.957.36.2000113.3K139 V266 K270K139-D268 IonicContact NZ-OD2 3.16Å; K139-D268 PolarHBondContact NZ-OD2 3.41Å; K139-D268 VanDerWaalsContact NZ-OD2 3.16Å; V266-D268 WeakPolarHBondContact CB-OD1 3.41Å; V266-D268 WeakPolarHBondContact CG2-OD1 3.43Å; V266-D268 PolarHBondContact O-N 2.84Å; V266-D268 VanDerWaalsContact O-N 3.17Å; D268-K270 VanDerWaalsContact C-N 3.3Å; D268-K270 PolarHBondContact O-N 3.18Å
269N94.2Very high95.2Very high58 Ų5849.8 Ų49.831%0.3126%0.262SS..  trans-84.669.6178.2-170.9-9.2000112V265 V266 P271 S272 L273V265-N269 HydrophobicContact CG1-CB 4.4Å; V266-N269 HydrophobicContact CG2-CB 3.51Å; V266-N269 WeakPolarHBondContact O-CB 3.34Å; V266-N269 PolarHBondContact O-N 3.44Å; N269-P271 VanDerWaalsContact C-CD 3.46Å; N269-P271 WeakPolarHBondContact OD1-CD 3.34Å; N269-S272 PolarHBondContact ND2-OG 3.23Å; N269-S272 VanDerWaalsContact ND2-OG 3.12Å; N269-S272 PolarHBondContact O-N 2.96Å; N269-S272 WeakPolarHBondContact OD1-CB 3.4Å; N269-S272 PolarHBondContact OD1-N 3.39Å; N269-S272 PolarHBondContact OD1-OG 3.16Å; N269-L273 WeakPolarHBondContact O-CG 3.49Å; N269-L273 PolarHBondContact O-N 3.16Å
270K95.5Very high95.2Very high161 Ų16157.5 Ų57.570%0.730%0.296SS*.Hα-helixtrans-51.1-43.1179.3-59.4179.2-179.11790113.8D268 L273 Q274D268-K270 VanDerWaalsContact C-N 3.3Å; D268-K270 PolarHBondContact O-N 3.18Å; K270-L273 PolarHBondContact O-N 2.52Å; K270-Q274 WeakPolarHBondContact O-CB 3.47Å; K270-Q274 PolarHBondContact O-N 3.26Å
271P94Very high95.3Very high96 Ų9656.8 Ų56.862%0.62329%0.292SS*.Hα-helixtrans-60.4-46.5177.9-25.435.7000113.3N269 Q274 M275N269-P271 VanDerWaalsContact C-CD 3.46Å; N269-P271 WeakPolarHBondContact OD1-CD 3.34Å; P271-Q274 PolarHBondContact O-N 2.85Å; P271-M275 WeakPolarHBondContact O-CB 3.44Å; P271-M275 PolarHBondContact O-N 3.18Å
272S95Very high95.3Very high25 Ų2557.3 Ų57.318%0.17529%0.294CS..Hα-helixtrans-68.6-37.8178.7-69.60000112N269 M275 T276N269-S272 PolarHBondContact ND2-OG 3.23Å; N269-S272 VanDerWaalsContact ND2-OG 3.12Å; N269-S272 PolarHBondContact O-N 2.96Å; N269-S272 WeakPolarHBondContact OD1-CB 3.4Å; N269-S272 PolarHBondContact OD1-N 3.39Å; N269-S272 PolarHBondContact OD1-OG 3.16Å; S272-M275 PolarHBondContact O-N 3Å; S272-T276 VanDerWaalsContact O-CB 3.24Å; S272-T276 WeakPolarHBondContact O-CB 2.99Å; S272-T276 PolarHBondContact O-N 2.94Å; S272-T276 PolarHBondContact O-OG1 3.31Å
273L96.1Very high95.3Very high37 Ų3760.5 Ų60.519%0.19431%0.309CS..Hα-helixtrans-59.8-49.2174-73.2172.1000111Q142 Y144 V265 L267 N269 K270 M275 T276 S277Q142-L273 HydrophobicContact CB-CD2 4.24Å; Y144-L273 HydrophobicContact CE2-CD2 4.27Å; V265-L273 HydrophobicContact CB-CD2 3.89Å; V265-L273 HydrophobicContact CB-CG 4.5Å; V265-L273 HydrophobicContact CG1-CB 4.49Å; V265-L273 HydrophobicContact CG1-CD2 3.58Å; V265-L273 HydrophobicContact CG1-CG 3.65Å; L267-L273 WeakPolarHBondContact O-CD1 3.38Å; N269-L273 WeakPolarHBondContact O-CG 3.49Å; N269-L273 PolarHBondContact O-N 3.16Å; K270-L273 PolarHBondContact O-N 2.52Å; L273-M275 PolarHBondContact O-N 3.31Å; L273-T276 PolarHBondContact O-N 2.94Å; L273-S277 WeakPolarHBondContact O-CB 3.4Å; L273-S277 PolarHBondContact O-N 3.16Å; L273-S277 PolarHBondContact O-OG 3.26Å
274Q95.8Very high95.2Very high110 Ų11063.3 Ų63.351%0.51432%0.324SS..Hα-helixtrans-64.6-40.9180-171-176.226.200112.3K270 P271 T276 S277 K278K270-Q274 WeakPolarHBondContact O-CB 3.47Å; K270-Q274 PolarHBondContact O-N 3.26Å; P271-Q274 PolarHBondContact O-N 2.85Å; Q274-T276 VanDerWaalsContact C-N 3.34Å; Q274-S277 PolarHBondContact O-OG 3.19Å; Q274-K278 HydrophobicContact CG-CD 4.3Å; Q274-K278 WeakPolarHBondContact O-CB 3.36Å; Q274-K278 VanDerWaalsContact O-CG 3.29Å; Q274-K278 WeakPolarHBondContact O-CG 3.46Å; Q274-K278 PolarHBondContact O-N 2.87Å
275M95.4Very high95.3Very high40 Ų4062.7 Ų62.720%0.19732%0.323CS..Hα-helixtrans-62.5-44.7176.1-173.3-168.772.200110.7L231 S244 P271 S272 L273 S279L231-M275 HydrophobicContact CD2-CE 3.4Å; L231-M275 VanDerWaalsContact CD2-CE 3.4Å; L231-M275 HydrophobicContact CD2-SD 4.29Å; S244-M275 WeakPolarHBondContact OG-CG 3.42Å; S244-M275 PolarHBondContact OG-SD 3.39Å; P271-M275 WeakPolarHBondContact O-CB 3.44Å; P271-M275 PolarHBondContact O-N 3.18Å; S272-M275 PolarHBondContact O-N 3Å; L273-M275 PolarHBondContact O-N 3.31Å; M275-S279 PolarHBondContact O-N 2.91Å
276T96.5Very high95.3Very high1 Ų165.7 Ų65.71%0.00636%0.356CS..Hα-helixtrans-68.2-45.3-177.9-55.30000111.6Y144 K263 S272 L273 Q274 K278 S279 W282Y144-T276 HydrophobicContact CD1-CG2 3.48Å; Y144-T276 VanDerWaalsContact CD1-CG2 3.48Å; Y144-T276 HydrophobicContact CD2-CG2 3.63Å; Y144-T276 HydrophobicContact CE1-CG2 3.71Å; Y144-T276 HydrophobicContact CE2-CG2 3.81Å; Y144-T276 HydrophobicContact CG-CG2 3.44Å; Y144-T276 VanDerWaalsContact CG-CG2 3.44Å; K263-T276 WeakPolarHBondContact CE-OG1 3.38Å; K263-T276 PolarHBondContact NZ-OG1 2.85Å; S272-T276 VanDerWaalsContact O-CB 3.24Å; S272-T276 WeakPolarHBondContact O-CB 2.99Å; S272-T276 PolarHBondContact O-N 2.94Å; S272-T276 PolarHBondContact O-OG1 3.31Å; L273-T276 PolarHBondContact O-N 2.94Å; Q274-T276 VanDerWaalsContact C-N 3.34Å; T276-K278 PolarHBondContact O-N 3.31Å; T276-S279 VanDerWaalsContact O-CB 3.31Å; T276-S279 WeakPolarHBondContact O-CB 3.45Å; T276-S279 PolarHBondContact O-N 2.81Å; T276-S279 VanDerWaalsContact O-N 3.08Å; T276-W282 HydrophobicContact CG2-CB 3.82Å; T276-W282 HydrophobicContact CG2-CG 3.82Å
277S93.9Very high95.4Very high80 Ų8065.3 Ų65.356%0.55935%0.352SS*.Hα-helixtrans-66.8-23.8-178.472.50000113.6L273 Q274L273-S277 WeakPolarHBondContact O-CB 3.4Å; L273-S277 PolarHBondContact O-N 3.16Å; L273-S277 PolarHBondContact O-OG 3.26Å; Q274-S277 PolarHBondContact O-OG 3.19Å
278K94.2Very high95.4Very high150 Ų15065.2 Ų65.265%0.65235%0.35SS*.Hα-helixtrans-82.9-16.1175.2-73.8177.3179.5179.50113.2Q274 T276Q274-K278 HydrophobicContact CG-CD 4.3Å; Q274-K278 WeakPolarHBondContact O-CB 3.36Å; Q274-K278 VanDerWaalsContact O-CG 3.29Å; Q274-K278 WeakPolarHBondContact O-CG 3.46Å; Q274-K278 PolarHBondContact O-N 2.87Å; T276-K278 PolarHBondContact O-N 3.31Å
279S94Very high95.6Very high33 Ų3360.4 Ų60.423%0.23132%0.324CS..  trans-71.6131.6177.1-178.80000109.9M275 T276 L281 W282M275-S279 PolarHBondContact O-N 2.91Å; T276-S279 VanDerWaalsContact O-CB 3.31Å; T276-S279 WeakPolarHBondContact O-CB 3.45Å; T276-S279 PolarHBondContact O-N 2.81Å; T276-S279 VanDerWaalsContact O-N 3.08Å; S279-L281 PolarHBondContact O-N 2.88Å; S279-L281 PolarHBondContact OG-N 3.38Å; S279-W282 PolarHBondContact OG-N 2.99Å
280K92.9Very high95.7Very high165 Ų16559.5 Ų59.572%0.71732%0.317SS*.SBendtrans-73.8-17.8170.9-65.5-176.8178.1-177.90112.7R150R150-K280 PolarHBondContact NH1-O 3.19Å
281L95.9Very high95.6Very high5 Ų554 Ų543%0.02629%0.291CS..SBendtrans-85.2-41.7-176.5-63.4173.1000111.8L146 R150 E153 L154 T157 L248 S279L146-L281 HydrophobicContact CD1-CB 3.9Å; L146-L281 WeakPolarHBondContact CD1-O 3.36Å; R150-L281 WeakPolarHBondContact CD-O 3.44Å; R150-L281 VanDerWaalsContact NH1-C 3.29Å; R150-L281 PolarHBondContact NH1-O 3.28Å; E153-L281 HydrophobicContact CB-CD2 3.88Å; E153-L281 HydrophobicContact CG-CD2 3.74Å; L154-L281 HydrophobicContact CB-CD1 4.33Å; L154-L281 HydrophobicContact CB-CD2 4.22Å; L154-L281 HydrophobicContact CD1-CD1 3.79Å; T157-L281 HydrophobicContact CG2-CD1 4.47Å; L248-L281 HydrophobicContact CD2-CD1 3.3Å; S279-L281 PolarHBondContact O-N 2.88Å; S279-L281 PolarHBondContact OG-N 3.38Å
282W97.2Very high95.6Very high12 Ų1249.4 Ų49.45%0.04526%0.262CS..  trans-71.3134.7178.4-70.2116.5000111.6Y144 W145 L146 R150 L228 E247 L251 P261 K263 T276 S279Y144-W282 HydrophobicContact CD1-CB 4.36Å; W145-W282 VanDerWaalsContact C-CE3 3.44Å; L146-W282 HydrophobicContact CB-CZ3 4.29Å; R150-W282 VanDerWaalsContact NH1-C 3.29Å; R150-W282 PolarHBondContact NH1-O 3.43Å; L228-W282 HydrophobicContact CD1-CH2 4.3Å; L228-W282 HydrophobicContact CD2-CH2 4.24Å; L228-W282 HydrophobicContact CD2-CZ2 4.04Å; E247-W282 HydrophobicContact CG-CZ2 4.03Å; E247-W282 PolarHBondContact OE1-NE1 3.12Å; L251-W282 HydrophobicContact CD1-CH2 4.35Å; L251-W282 HydrophobicContact CD1-CZ2 3.86Å; L251-W282 HydrophobicContact CD2-CH2 3.44Å; L251-W282 VanDerWaalsContact CD2-CH2 3.44Å; L251-W282 HydrophobicContact CD2-CZ2 3.43Å; L251-W282 VanDerWaalsContact CD2-CZ2 3.43Å; L251-W282 HydrophobicContact CG-CZ2 4.2Å; P261-W282 HydrophobicContact CB-CH2 4.17Å; P261-W282 HydrophobicContact CB-CZ3 4.49Å; K263-W282 HydrophobicContact CD-CD2 4.48Å; K263-W282 HydrophobicContact CD-CH2 4.07Å; K263-W282 HydrophobicContact CD-CZ2 3.7Å; K263-W282 HydrophobicContact CG-CH2 4.19Å; K263-W282 HydrophobicContact CG-CZ2 4.31Å; K263-W282 HydrophobicContact CG-CZ3 4.39Å; K263-W282 VanDerWaalsContact NZ-NE1 3.13Å; T276-W282 HydrophobicContact CG2-CB 3.82Å; T276-W282 HydrophobicContact CG2-CG 3.82Å; S279-W282 PolarHBondContact OG-N 2.99Å
283Q97.4Very high95.5Very high68 Ų6850.5 Ų50.532%0.31826%0.264SS..EExtended strand (participates in β ladder)trans-112.9136.6169.4-176.6163.2-41.900109.2Y144 W145 P147 A285Y144-Q283 CarbonylContact C-O 3.5Å; Y144-Q283 VanDerWaalsContact CA-O 3.26Å; Y144-Q283 WeakPolarHBondContact CA-O 3.48Å; W145-Q283 PolarHBondContact N-O 3.02Å; W145-Q283 PolarHBondContact O-N 3.37Å; P147-Q283 HydrophobicContact CG-CB 3.75Å; P147-Q283 HydrophobicContact CG-CG 4.37Å; Q283-A285 PolarHBondContact O-N 3.25Å
284N96.7Very high95.4Very high68 Ų6848.8 Ų48.836%0.36426%0.255SS..EExtended strand (participates in β ladder)trans-65129.1168.6-173.9-43.2000108.2Q142 Y144 G286Q142-N284 PolarHBondContact NE2-ND2 3.39Å; Q142-N284 PolarHBondContact NE2-OD1 3.03Å; Q142-N284 PolarHBondContact OE1-ND2 3.16Å; Y144-N284 HydrophobicContact CD1-CB 4.29Å; Y144-N284 HydrophobicContact CE1-CB 4.09Å; N284-G286 PolarHBondContact O-N 3.17Å; N284-G286 WeakPolarHBondContact OD1-CA 3.32Å; N284-G286 PolarHBondContact OD1-N 2.8Å
285A96.5Very high95.2Very high11 Ų1145 Ų459%0.09124%0.24CC..EExtended strand (participates in β ladder)trans-71.6-7.8-178.100000113.6P22 V143 Q283 F287P22-A285 HydrophobicContact CB-CB 3.97Å; P22-A285 HydrophobicContact CG-CB 3.9Å; P22-A285 WeakPolarHBondContact CG-O 3.42Å; V143-A285 HydrophobicContact CB-CB 3.9Å; V143-A285 HydrophobicContact CG1-CB 3.85Å; V143-A285 PolarHBondContact O-N 2.83Å; Q283-A285 PolarHBondContact O-N 3.25Å; A285-F287 HydrophobicContact CB-CD1 3.91Å; A285-F287 HydrophobicContact CB-CE1 3.47Å; A285-F287 VanDerWaalsContact CB-CE1 3.47Å; A285-F287 HydrophobicContact CB-CZ 4.06Å; A285-F287 VanDerWaalsContact O-CD1 3.32Å; A285-F287 WeakPolarHBondContact O-CD1 3.41Å
286G95.7Very high94.7Very high70 Ų7047.4 Ų47.472%0.72225%0.251SS*.EExtended strand (participates in β ladder)trans88.17.9177.800000114.3N284N284-G286 PolarHBondContact O-N 3.17Å; N284-G286 WeakPolarHBondContact OD1-CA 3.32Å; N284-G286 PolarHBondContact OD1-N 2.8Å
287F95.9Very high93.9Very high16 Ų1650.1 Ų50.17%0.0727%0.274CS..EExtended strand (participates in β ladder)trans-147.3155.3178.761.3-85.5000111.8K23 P117 Y119 Q142 V143 A285K23-F287 HydrophobicContact CG-CD1 4.44Å; K23-F287 HydrophobicContact CG-CE1 4.35Å; P117-F287 HydrophobicContact CB-CD2 4.01Å; P117-F287 HydrophobicContact CB-CE2 4.44Å; P117-F287 HydrophobicContact CG-CD2 4.14Å; P117-F287 HydrophobicContact CG-CE2 4.06Å; Y119-F287 HydrophobicContact CE1-CB 3.95Å; Y119-F287 HydrophobicContact CE1-CG 4.47Å; Q142-F287 PolarHBondContact NE2-O 3.24Å; V143-F287 HydrophobicContact CB-CE2 4.06Å; V143-F287 HydrophobicContact CB-CZ 4.2Å; V143-F287 HydrophobicContact CG1-CE2 4.34Å; V143-F287 HydrophobicContact CG1-CZ 4.12Å; V143-F287 HydrophobicContact CG2-CD2 3.98Å; V143-F287 HydrophobicContact CG2-CE2 3.56Å; V143-F287 HydrophobicContact CG2-CZ 4.18Å; A285-F287 HydrophobicContact CB-CD1 3.91Å; A285-F287 HydrophobicContact CB-CE1 3.47Å; A285-F287 VanDerWaalsContact CB-CE1 3.47Å; A285-F287 HydrophobicContact CB-CZ 4.06Å; A285-F287 VanDerWaalsContact O-CD1 3.32Å; A285-F287 WeakPolarHBondContact O-CD1 3.41Å
288H97.1Very high92.7Very high62 Ų6257.4 Ų57.429%0.28730%0.304SS..EExtended strand (participates in β ladder)trans-91.4156.9164.3-65-179.3000109.3P117 T118 E140 M141 Q142P117-H288 WeakPolarHBondContact CA-O 3.43Å; T118-H288 HydrophobicContact CG2-CB 3.61Å; T118-H288 PolarHBondContact N-O 3Å; E140-H288 HydrophobicContact CG-CB 4.32Å; E140-H288 IonicContact OE1-CE1 3.76Å; E140-H288 IonicContact OE1-CG 2.95Å; E140-H288 IonicContact OE1-ND1 2.66Å; E140-H288 PolarHBondContact OE1-ND1 3.38Å; M141-H288 CarbonylContact O-C 3.59Å; M141-H288 VanDerWaalsContact O-CA 3.25Å; M141-H288 WeakPolarHBondContact O-CA 3.46Å; Q142-H288 PolarHBondContact OE1-CD2 3.25Å; Q142-H288 VanDerWaalsContact OE1-CD2 3.26Å; Q142-H288 PolarHBondContact OE1-NE2 2.79Å
289S97.1Very high92.6Very high0 Ų052.8 Ų52.80%029%0.287CS..EExtended strand (participates in β ladder)trans-131.2154.6171.967.50000112.3S115 L116 M141 V143S115-S289 VanDerWaalsContact OG-CB 3.24Å; S115-S289 WeakPolarHBondContact OG-CB 3.31Å; S115-S289 PolarHBondContact OG-OG 3.11Å; L116-S289 CarbonylContact O-C 3.57Å; L116-S289 WeakPolarHBondContact O-CA 3.42Å; L116-S289 WeakPolarHBondContact O-CB 3.25Å; M141-S289 PolarHBondContact N-O 3.49Å; M141-S289 PolarHBondContact O-N 3.34Å; V143-S289 WeakPolarHBondContact CG2-OG 3.11Å
290Y96.8Very high92.5Very high40 Ų4053.8 Ų53.816%0.15729%0.29CS..EExtended strand (participates in β ladder)trans-103.2143.6172.4-65.3-56.1000111.3S115 L116 T118 L121 V137 K139 E140 L292S115-Y290 CarbonylContact C-O 3.52Å; S115-Y290 VanDerWaalsContact CA-O 3.28Å; S115-Y290 WeakPolarHBondContact CA-O 3.4Å; S115-Y290 PolarHBondContact N-O 3.47Å; L116-Y290 PolarHBondContact N-O 3.43Å; L116-Y290 PolarHBondContact O-N 2.85Å; T118-Y290 HydrophobicContact CG2-CD1 4.29Å; T118-Y290 HydrophobicContact CG2-CD2 3.75Å; T118-Y290 HydrophobicContact CG2-CE1 3.98Å; T118-Y290 HydrophobicContact CG2-CE2 3.4Å; T118-Y290 VanDerWaalsContact CG2-CE2 3.4Å; T118-Y290 HydrophobicContact CG2-CG 4.18Å; L121-Y290 HydrophobicContact CB-CD2 4.36Å; L121-Y290 HydrophobicContact CB-CE2 4.19Å; L121-Y290 HydrophobicContact CD2-CD2 4.23Å; L121-Y290 HydrophobicContact CD2-CE2 3.66Å; L121-Y290 HydrophobicContact CG-CE2 4.42Å; V137-Y290 HydrophobicContact CG1-CD1 3.44Å; V137-Y290 VanDerWaalsContact CG1-CD1 3.44Å; V137-Y290 HydrophobicContact CG1-CE1 3.75Å; V137-Y290 HydrophobicContact CG1-CG 4.15Å; K139-Y290 VanDerWaalsContact O-CA 3.31Å; K139-Y290 WeakPolarHBondContact O-CA 3.49Å; E140-Y290 HydrophobicContact CB-CD1 3.87Å; E140-Y290 HydrophobicContact CB-CE1 3.7Å; E140-Y290 HydrophobicContact CG-CD1 3.96Å; E140-Y290 HydrophobicContact CG-CE1 3.59Å; Y290-L292 VanDerWaalsContact CB-CD2 3.44Å; Y290-L292 HydrophobicContact CD2-CD2 4.22Å; Y290-L292 HydrophobicContact CG-CD2 3.94Å
291W93.2Very high92.5Very high45 Ų4547.6 Ų47.617%0.1727%0.266CS..EExtended strand (participates in β ladder)trans-87.8120.7147-83.1-15.7000108.2L138 K139 M141 Y227L138-W291 HydrophobicContact CB-CB 4.26Å; L138-W291 WeakPolarHBondContact CB-O 3Å; L138-W291 PolarHBondContact N-O 3.45Å; K139-W291 PolarHBondContact N-O 3.3Å; K139-W291 PolarHBondContact O-N 3.38Å; M141-W291 HydrophobicContact CE-CB 4.21Å; M141-W291 HydrophobicContact CE-CD2 4.04Å; M141-W291 HydrophobicContact CE-CG 3.64Å; M141-W291 HydrophobicContact SD-CD2 4.02Å; M141-W291 HydrophobicContact SD-CE3 4.46Å; M141-W291 HydrophobicContact SD-CG 4.24Å; Y227-W291 AromaticContact CE2-CZ2 4Å; Y227-W291 HydrophobicContact CE2-CZ2 4Å; Y227-W291 AromaticContact CZ-CZ2 3.8Å; Y227-W291 WeakPolarHBondContact OH-CZ2 3.46Å
292L94.5Very high92.3Very high0 Ų050.1 Ų50.10%028%0.28CS..EExtended strand (participates in β ladder)trans-118.3148.5-178.7-55.4174.4000109.8L112 V113 L116 L121 L135 N136 V137 Y290L112-L292 CarbonylContact C-O 3.44Å; L112-L292 WeakPolarHBondContact CA-O 2.97Å; V113-L292 HydrophobicContact CB-CB 4.01Å; V113-L292 HydrophobicContact CB-CD1 4.49Å; V113-L292 HydrophobicContact CG2-CB 3.98Å; V113-L292 HydrophobicContact CG2-CD1 4.37Å; V113-L292 PolarHBondContact N-O 2.92Å; V113-L292 PolarHBondContact O-N 3.09Å; L116-L292 HydrophobicContact CB-CD1 4.11Å; L116-L292 HydrophobicContact CD2-CD1 3.45Å; L116-L292 VanDerWaalsContact CD2-CD1 3.45Å; L116-L292 HydrophobicContact CG-CD1 4.4Å; L121-L292 HydrophobicContact CD1-CD1 3.82Å; L121-L292 HydrophobicContact CD1-CD2 4.16Å; L135-L292 HydrophobicContact CD2-CB 4.18Å; L135-L292 HydrophobicContact CD2-CD1 4.48Å; N136-L292 CarbonylContact O-C 3.58Å; N136-L292 VanDerWaalsContact O-CA 3.3Å; N136-L292 WeakPolarHBondContact O-CA 2.85Å; V137-L292 HydrophobicContact CB-CD2 4.15Å; V137-L292 HydrophobicContact CG1-CD2 4.4Å; V137-L292 HydrophobicContact CG2-CD2 3.66Å; Y290-L292 VanDerWaalsContact CB-CD2 3.44Å; Y290-L292 HydrophobicContact CD2-CD2 4.22Å; Y290-L292 HydrophobicContact CG-CD2 3.94Å
293Q93.3Very high92Very high48 Ų4852.5 Ų52.522%0.22430%0.295CS..EExtended strand (participates in β ladder)trans-123.2122.8166.7-176.1177.213.600108.8Y76 F111 L135 N136 L138Y76-Q293 PolarHBondContact OH-NE2 2.65Å; F111-Q293 WeakPolarHBondContact O-CA 3.49Å; L135-Q293 WeakPolarHBondContact CA-O 3.31Å; N136-Q293 PolarHBondContact N-O 2.59Å; N136-Q293 PolarHBondContact O-N 2.74Å; L138-Q293 HydrophobicContact CD1-CB 4.14Å; L138-Q293 HydrophobicContact CD2-CB 4.26Å; L138-Q293 HydrophobicContact CG-CB 4.28Å
294L94Very high91.6Very high1 Ų151.5 Ų51.51%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-77.7123.5163.7-172.676000107.3F105 G110 F111 F128 L133 V134 L135F105-L294 HydrophobicContact CB-CD2 4.25Å; G110-L294 VanDerWaalsContact CA-O 3.31Å; G110-L294 WeakPolarHBondContact CA-O 2.91Å; F111-L294 HydrophobicContact CD1-CB 4.09Å; F111-L294 HydrophobicContact CD1-CD2 3.71Å; F111-L294 HydrophobicContact CD2-CB 4.07Å; F111-L294 HydrophobicContact CE1-CB 4.06Å; F111-L294 HydrophobicContact CE1-CD2 3.37Å; F111-L294 HydrophobicContact CE1-CG 4.3Å; F111-L294 HydrophobicContact CE2-CB 3.97Å; F111-L294 HydrophobicContact CG-CB 4.12Å; F111-L294 HydrophobicContact CZ-CB 3.99Å; F111-L294 HydrophobicContact CZ-CD2 3.92Å; F111-L294 HydrophobicContact CZ-CG 4.45Å; F111-L294 PolarHBondContact N-O 3.42Å; F111-L294 PolarHBondContact O-N 2.58Å; F128-L294 HydrophobicContact CB-CD1 4.13Å; F128-L294 HydrophobicContact CB-CD2 4.23Å; L133-L294 HydrophobicContact CB-CD1 4.11Å; L133-L294 HydrophobicContact CB-CG 4.37Å; L133-L294 HydrophobicContact CD1-CD2 4.25Å; V134-L294 WeakPolarHBondContact O-CA 3.43Å; L135-L294 HydrophobicContact CD2-CB 3.84Å; L135-L294 HydrophobicContact CD2-CD1 3.93Å; L135-L294 HydrophobicContact CG-CD1 3.86Å
295S90.2Very high91.3Very high29 Ų2950.3 Ų50.320%0.20329%0.288CS..EExtended strand (participates in β ladder)trans-153.9174.1174.967.30000110L133 V134 N136L133-S295 WeakPolarHBondContact CA-O 3.26Å; V134-S295 PolarHBondContact N-O 3.17Å; V134-S295 PolarHBondContact O-N 2.49Å; N136-S295 PolarHBondContact ND2-OG 2.86Å
296Q85.1Confident90.8Very high91 Ų9153.3 Ų53.343%0.42530%0.303SS..EExtended strand (participates in β ladder)trans-61.7146.4168.8-63.3-167.72.500110.7E107 P132 L133 I298E107-Q296 WeakPolarHBondContact O-CG 3.19Å; E107-Q296 PolarHBondContact O-NE2 2.81Å; P132-Q296 WeakPolarHBondContact O-CA 3.46Å; L133-Q296 HydrophobicContact CD2-CG 4.3Å; Q296-I298 PolarHBondContact O-N 2.68Å
297A80.6Confident90.4Very high59 Ų5951.9 Ų51.949%0.48827%0.268SS..  trans-60.8130.8166.300000109.4P132 V134P132-A297 PolarHBondContact O-N 3.34Å; V134-A297 HydrophobicContact CG1-CB 4.07Å; V134-A297 HydrophobicContact CG2-CB 4.08Å
298I67.5Low89.9Confident232 Ų23255.2 Ų55.2100%1.1929%0.286SS*.  trans-77.60174.8-57.8172.2000109.5Q296Q296-I298 PolarHBondContact O-N 2.68Å

Retrieved 298 of 298 residues in 289.1 ms (Link to these results)

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