A0A077ZDL4_TRITR Loading...

Helicase C and DEAD and DSHCT domain containing p rotein

AlphaFold DB , UniProt , Accession A0A077ZDL4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 751 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
1M32.3Very low31Very low218 Ų21895.5 Ų95.5100%1.07452%0.516SS*.  0109.70-156.3171.3-157.200107.1
2N30.5Very low30.7Very low70 Ų7095.4 Ų95.437%0.37452%0.524SS..  trans-74.4138-174.4-167.8-18.1000109.5K4 D5 T6N2-K4 PolarHBondContact O-N 3.41Å; N2-K4 PolarHBondContact OD1-N 3.45Å; N2-K4 VanDerWaalsContact OD1-N 3.09Å; N2-D5 VanDerWaalsContact CB-OD2 3.26Å; N2-D5 WeakPolarHBondContact CB-OD2 3.35Å; N2-D5 PolarHBondContact O-N 3.11Å; N2-D5 VanDerWaalsContact O-N 3.1Å; N2-T6 PolarHBondContact O-N 3.36Å; N2-T6 PolarHBondContact O-OG1 2.98Å
3I30.9Very low31.1Very low101 Ų10192.8 Ų92.852%0.51852%0.517SS..Hα-helixtrans-62.9-27.4176.2-66.3172.6000110.2T6 L7I3-T6 PolarHBondContact O-N 3.42Å; I3-L7 HydrophobicContact CG2-CD1 3.81Å; I3-L7 HydrophobicContact CG2-CG 4.16Å; I3-L7 WeakPolarHBondContact O-CB 3.33Å; I3-L7 VanDerWaalsContact O-CG 3.28Å; I3-L7 WeakPolarHBondContact O-CG 3.45Å; I3-L7 PolarHBondContact O-N 3.36Å
4K28.2Very low31.9Very low86 Ų8687.4 Ų87.437%0.37449%0.492SS..Hα-helixtrans-56.7-49.5171.2-144178.2-176.7-169.60110.8N2 L7 I8 E35 E36N2-K4 PolarHBondContact O-N 3.41Å; N2-K4 PolarHBondContact OD1-N 3.45Å; N2-K4 VanDerWaalsContact OD1-N 3.09Å; K4-L7 PolarHBondContact O-N 2.93Å; K4-I8 HydrophobicContact CG-CD1 4.27Å; K4-I8 WeakPolarHBondContact O-CB 3.23Å; K4-I8 WeakPolarHBondContact O-CD1 3.41Å; K4-I8 VanDerWaalsContact O-CG1 3.25Å; K4-I8 WeakPolarHBondContact O-CG1 3.28Å; K4-I8 PolarHBondContact O-N 3.31Å; K4-E35 IonicContact NZ-OE1 2.62Å; K4-E36 PolarHBondContact NZ-O 3.31Å
5D31Very low32.6Very low92 Ų9283.1 Ų83.149%0.49247%0.467SS..Hα-helixtrans-67.1-39.9180-48.1-31.2000112.4N2 I8 S9N2-D5 VanDerWaalsContact CB-OD2 3.26Å; N2-D5 WeakPolarHBondContact CB-OD2 3.35Å; N2-D5 PolarHBondContact O-N 3.11Å; N2-D5 VanDerWaalsContact O-N 3.1Å; D5-I8 PolarHBondContact O-N 3.49Å; D5-S9 WeakPolarHBondContact O-CB 3.5Å; D5-S9 PolarHBondContact O-N 2.96Å; D5-S9 PolarHBondContact O-OG 3.39Å
6T31.1Very low33.1Very low52 Ų5282.1 Ų82.132%0.31946%0.456SS..Hα-helixtrans-64.5-41.5176-52.60000111.1N2 I3 S9 M10N2-T6 PolarHBondContact O-N 3.36Å; N2-T6 PolarHBondContact O-OG1 2.98Å; I3-T6 PolarHBondContact O-N 3.42Å; T6-S9 WeakPolarHBondContact CA-OG 3.38Å; T6-S9 PolarHBondContact O-OG 3.46Å; T6-S9 VanDerWaalsContact O-OG 3.07Å; T6-M10 HydrophobicContact CG2-SD 4.15Å; T6-M10 WeakPolarHBondContact O-CB 3.39Å; T6-M10 WeakPolarHBondContact O-CG 3.35Å; T6-M10 PolarHBondContact O-N 3.21Å; T6-M10 VanDerWaalsContact O-N 3.08Å
7L28.7Very low33.7Very low95 Ų9579.4 Ų79.450%0.49744%0.443SS..Hα-helixtrans-68.6-38.8176.8-72.3170.5000112.4I3 K4 M10 A11I3-L7 HydrophobicContact CG2-CD1 3.81Å; I3-L7 HydrophobicContact CG2-CG 4.16Å; I3-L7 WeakPolarHBondContact O-CB 3.33Å; I3-L7 VanDerWaalsContact O-CG 3.28Å; I3-L7 WeakPolarHBondContact O-CG 3.45Å; I3-L7 PolarHBondContact O-N 3.36Å; K4-L7 PolarHBondContact O-N 2.93Å; L7-M10 PolarHBondContact O-N 3.12Å; L7-A11 PolarHBondContact O-N 3.46Å
8I31.8Very low34.4Very low111 Ų11175.5 Ų75.557%0.56942%0.421SS*.Hα-helixtrans-67.1-43.1176.2-69.4165000110.7K4 D5 M10 A11 P12K4-I8 HydrophobicContact CG-CD1 4.27Å; K4-I8 WeakPolarHBondContact O-CB 3.23Å; K4-I8 WeakPolarHBondContact O-CD1 3.41Å; K4-I8 VanDerWaalsContact O-CG1 3.25Å; K4-I8 WeakPolarHBondContact O-CG1 3.28Å; K4-I8 PolarHBondContact O-N 3.31Å; D5-I8 PolarHBondContact O-N 3.49Å; I8-M10 PolarHBondContact O-N 2.94Å; I8-A11 VanDerWaalsContact O-CB 3.3Å; I8-A11 WeakPolarHBondContact O-CB 3.29Å; I8-A11 PolarHBondContact O-N 3.34Å; I8-A11 VanDerWaalsContact O-N 3.15Å; I8-P12 WeakPolarHBondContact O-CD 3.4Å
9S31.3Very low35Very low83 Ų8371.7 Ų71.758%0.5840%0.4SS*.Hα-helixtrans-70.4-15.5175.959.60000114.4D5 T6 P12D5-S9 WeakPolarHBondContact O-CB 3.5Å; D5-S9 PolarHBondContact O-N 2.96Å; D5-S9 PolarHBondContact O-OG 3.39Å; T6-S9 WeakPolarHBondContact CA-OG 3.38Å; T6-S9 PolarHBondContact O-OG 3.46Å; T6-S9 VanDerWaalsContact O-OG 3.07Å; S9-P12 WeakPolarHBondContact O-CD 3.49Å
10M33Very low35.8Very low92 Ų9272.5 Ų72.545%0.45340%0.403SS..Hα-helixtrans-87.1-16.1170.5-72.1177.273.900113.7T6 L7 I8 P12 S13T6-M10 HydrophobicContact CG2-SD 4.15Å; T6-M10 WeakPolarHBondContact O-CB 3.39Å; T6-M10 WeakPolarHBondContact O-CG 3.35Å; T6-M10 PolarHBondContact O-N 3.21Å; T6-M10 VanDerWaalsContact O-N 3.08Å; L7-M10 PolarHBondContact O-N 3.12Å; I8-M10 PolarHBondContact O-N 2.94Å; M10-P12 VanDerWaalsContact C-CD 3.45Å; M10-S13 PolarHBondContact O-OG 2.88Å
11A31.8Very low36.6Very low51 Ų5173.3 Ų73.342%0.42140%0.404SS..SBendtrans-64.8-37.3-179.200000116.8L7 I8 S13L7-A11 PolarHBondContact O-N 3.46Å; I8-A11 VanDerWaalsContact O-CB 3.3Å; I8-A11 WeakPolarHBondContact O-CB 3.29Å; I8-A11 PolarHBondContact O-N 3.34Å; I8-A11 VanDerWaalsContact O-N 3.15Å; A11-S13 PolarHBondContact O-N 3.41Å
12P27.3Very low37.6Very low94 Ų9463.1 Ų63.161%0.6135%0.354SS*.THydrogen-bonded Turntrans-80.641-168.835-38000113.3I8 S9 M10 P17I8-P12 WeakPolarHBondContact O-CD 3.4Å; S9-P12 WeakPolarHBondContact O-CD 3.49Å; M10-P12 VanDerWaalsContact C-CD 3.45Å; P12-P17 WeakPolarHBondContact O-CG 3.19Å
13S36.2Very low38.6Very low62 Ų6262.2 Ų62.243%0.43436%0.361SS..THydrogen-bonded Turntrans-143.9-1.5-178.364.40000115.2M10 A11 H658M10-S13 PolarHBondContact O-OG 2.88Å; A11-S13 PolarHBondContact O-N 3.41Å; S13-H658 VanDerWaalsContact C-NE2 3.29Å; S13-H658 PolarHBondContact O-NE2 3.05Å; S13-H658 PolarHBondContact OG-CE1 3.16Å; S13-H658 PolarHBondContact OG-NE2 2.98Å
14G42.7Very low39.6Very low16 Ų1658 Ų5817%0.16534%0.339CS..SBendtrans-89.2-139178.900000114.7F16 P17G14-F16 VanDerWaalsContact C-N 3.26Å; G14-F16 PolarHBondContact O-N 3.42Å; G14-P17 VanDerWaalsContact O-CD 3.28Å; G14-P17 WeakPolarHBondContact O-CD 3.23Å
15I42.1Very low40.5Very low24 Ų2456 Ų5612%0.12334%0.336CS..SBendtrans-73-18173.9-68.2168.5000111.9I18 L19 I672 V673I15-I18 WeakPolarHBondContact O-CA 3.28Å; I15-I18 VanDerWaalsContact O-CB 3.3Å; I15-I18 WeakPolarHBondContact O-CB 3.46Å; I15-I18 PolarHBondContact O-N 3.18Å; I15-L19 PolarHBondContact O-N 3.05Å; I15-I672 HydrophobicContact CB-CG2 3.85Å; I15-I672 HydrophobicContact CD1-CG2 4.31Å; I15-I672 HydrophobicContact CG2-CG2 3.81Å; I15-V673 HydrophobicContact CD1-CB 4.42Å; I15-V673 HydrophobicContact CD1-CG2 3.43Å; I15-V673 VanDerWaalsContact CD1-CG2 3.43Å
16F41.1Very low40.9Very low67 Ų6756.8 Ų56.829%0.29435%0.349SS..Hα-helixtrans-55.4-52.3171.9-81.9-82.5000112.5G14 I18 L19 D20 W30 I672G14-F16 VanDerWaalsContact C-N 3.26Å; G14-F16 PolarHBondContact O-N 3.42Å; F16-I18 PolarHBondContact O-N 2.98Å; F16-L19 CarbonylContact O-C 3.6Å; F16-L19 WeakPolarHBondContact O-CA 3.45Å; F16-L19 WeakPolarHBondContact O-CB 3.28Å; F16-L19 PolarHBondContact O-N 3.5Å; F16-D20 PolarHBondContact O-N 3.39Å; F16-D20 VanDerWaalsContact O-OD2 3.13Å; F16-W30 AromaticContact CE1-CD1 3.71Å; F16-W30 HydrophobicContact CE1-CD2 4.27Å; F16-W30 HydrophobicContact CE1-CG 4.01Å; F16-W30 AromaticContact CE1-NE1 3.72Å; F16-W30 HydrophobicContact CZ-CD2 4.12Å; F16-W30 HydrophobicContact CZ-CG 4.11Å; F16-I672 HydrophobicContact CE2-CD1 3.9Å; F16-I672 HydrophobicContact CE2-CG1 4.44Å
17P43.7Very low41.5Very low36 Ų3658 Ų5823%0.23436%0.36CS..Hα-helixtrans-51.5-25167-30.629.7000116.9P12 G14 E21P12-P17 WeakPolarHBondContact O-CG 3.19Å; G14-P17 VanDerWaalsContact O-CD 3.28Å; G14-P17 WeakPolarHBondContact O-CD 3.23Å; P17-E21 WeakPolarHBondContact O-CB 3.45Å; P17-E21 WeakPolarHBondContact O-CG 3.27Å; P17-E21 PolarHBondContact O-N 3.36Å
18I45.4Very low42.2Very low9 Ų954.3 Ų54.35%0.04634%0.34CS..Hα-helixtrans-75.7-41.8172.8-70.3174000110.3I15 F16 D20 L22 C704 R707 V708I15-I18 WeakPolarHBondContact O-CA 3.28Å; I15-I18 VanDerWaalsContact O-CB 3.3Å; I15-I18 WeakPolarHBondContact O-CB 3.46Å; I15-I18 PolarHBondContact O-N 3.18Å; F16-I18 PolarHBondContact O-N 2.98Å; I18-D20 VanDerWaalsContact C-N 3.34Å; I18-L22 HydrophobicContact CG2-CD1 3.99Å; I18-L22 WeakPolarHBondContact O-CB 3.45Å; I18-L22 WeakPolarHBondContact O-CD1 3.25Å; I18-L22 WeakPolarHBondContact O-CG 3.34Å; I18-L22 PolarHBondContact O-N 2.93Å; I18-L22 VanDerWaalsContact O-N 3.07Å; I18-C704 HydrophobicContact CG2-CB 3.66Å; I18-R707 HydrophobicContact CD1-CB 4.22Å; I18-V708 HydrophobicContact CD1-CG2 4.32Å
19L46.8Very low42.3Very low3 Ų355.8 Ų55.82%0.01635%0.349CS..Hα-helixtrans-65.3-36.7172.5-71.8167.2000112I15 F16 L22 G23 L24 F28 W30 L678I15-L19 PolarHBondContact O-N 3.05Å; F16-L19 CarbonylContact O-C 3.6Å; F16-L19 WeakPolarHBondContact O-CA 3.45Å; F16-L19 WeakPolarHBondContact O-CB 3.28Å; F16-L19 PolarHBondContact O-N 3.5Å; L19-L22 CarbonylContact O-C 3.55Å; L19-L22 PolarHBondContact O-N 3.49Å; L19-G23 PolarHBondContact O-N 3.02Å; L19-L24 HydrophobicContact CD2-CB 3.96Å; L19-L24 HydrophobicContact CD2-CD1 4.29Å; L19-L24 PolarHBondContact O-N 2.93Å; L19-F28 HydrophobicContact CD2-CE2 4.36Å; L19-F28 HydrophobicContact CD2-CZ 4.36Å; L19-W30 HydrophobicContact CD1-CZ2 3.8Å; L19-L678 HydrophobicContact CD2-CD1 3.75Å
20D49.9Very low42.8Very low87 Ų8755.1 Ų55.147%0.46533%0.334SS..Hα-helixtrans-72.3-42.3174.6-62.3-46.7000112.1F16 I18 L22 G23 S25F16-D20 PolarHBondContact O-N 3.39Å; F16-D20 VanDerWaalsContact O-OD2 3.13Å; I18-D20 VanDerWaalsContact C-N 3.34Å; D20-L22 PolarHBondContact O-N 3.03Å; D20-G23 PolarHBondContact O-N 2.68Å; D20-S25 WeakPolarHBondContact OD1-CB 3.41Å; D20-S25 PolarHBondContact OD1-OG 3.36Å
21E52.8Low42.6Very low90 Ų9058.1 Ų58.142%0.42135%0.351SS..Hα-helixtrans-61.6-21.4171-84.1-162.8119.800112.2P17 A696 R707P17-E21 WeakPolarHBondContact O-CB 3.45Å; P17-E21 WeakPolarHBondContact O-CG 3.27Å; P17-E21 PolarHBondContact O-N 3.36Å; E21-A696 WeakPolarHBondContact O-CB 3.38Å; E21-R707 IonicContact OE2-NH1 2.79Å; E21-R707 PolarHBondContact OE2-NH1 3.36Å
22L53.7Low42.3Very low4 Ų461 Ų612%0.02137%0.367CS..THydrogen-bonded Turntrans-96.5-6.6174.8-68170.3000113.7I18 L19 D20 L24 L682 T694 A696 V701I18-L22 HydrophobicContact CG2-CD1 3.99Å; I18-L22 WeakPolarHBondContact O-CB 3.45Å; I18-L22 WeakPolarHBondContact O-CD1 3.25Å; I18-L22 WeakPolarHBondContact O-CG 3.34Å; I18-L22 PolarHBondContact O-N 2.93Å; I18-L22 VanDerWaalsContact O-N 3.07Å; L19-L22 CarbonylContact O-C 3.55Å; L19-L22 PolarHBondContact O-N 3.49Å; D20-L22 PolarHBondContact O-N 3.03Å; L22-L24 HydrophobicContact CB-CD1 3.9Å; L22-L24 HydrophobicContact CB-CG 3.92Å; L22-L24 HydrophobicContact CD1-CD1 4.09Å; L22-L24 PolarHBondContact O-N 3.39Å; L22-L682 HydrophobicContact CD1-CD2 4.47Å; L22-T694 WeakPolarHBondContact O-CB 3.5Å; L22-T694 PolarHBondContact O-OG1 2.87Å; L22-A696 HydrophobicContact CD2-CB 4.23Å; L22-V701 HydrophobicContact CD2-CB 4.23Å; L22-V701 HydrophobicContact CD2-CG1 4.1Å; L22-V701 HydrophobicContact CD2-CG2 3.75Å
23G50.3Low42.6Very low51 Ų5161.6 Ų61.653%0.52637%0.369SS..THydrogen-bonded Turntrans6912.5-17600000115.3L19 D20L19-G23 PolarHBondContact O-N 3.02Å; D20-G23 PolarHBondContact O-N 2.68Å
24L52.2Low42.2Very low12 Ų1266.5 Ų66.56%0.06339%0.391CS..  trans-87.9-10.7-172.3-67.6175.6000114.1L19 L22 S26 S27 F28L19-L24 HydrophobicContact CD2-CB 3.96Å; L19-L24 HydrophobicContact CD2-CD1 4.29Å; L19-L24 PolarHBondContact O-N 2.93Å; L22-L24 HydrophobicContact CB-CD1 3.9Å; L22-L24 HydrophobicContact CB-CG 3.92Å; L22-L24 HydrophobicContact CD1-CD1 4.09Å; L22-L24 PolarHBondContact O-N 3.39Å; L24-S26 PolarHBondContact O-N 3.2Å; L24-S26 VanDerWaalsContact O-N 3.13Å; L24-S27 WeakPolarHBondContact O-CB 3.3Å; L24-S27 PolarHBondContact O-N 2.82Å; L24-F28 HydrophobicContact CB-CE2 4.21Å; L24-F28 WeakPolarHBondContact O-CD2 3.45Å
25S47.4Very low41.4Very low45 Ų4573.3 Ų73.332%0.31542%0.418SS..G310 helixtrans-63.3-20.6-171.745.70000115.1D20 S27D20-S25 WeakPolarHBondContact OD1-CB 3.41Å; D20-S25 PolarHBondContact OD1-OG 3.36Å; S25-S27 VanDerWaalsContact C-N 3.31Å
26S40.4Very low40.7Very low108 Ų10880.7 Ų80.776%0.75545%0.452SS*.G310 helixtrans-75.3-14.3172.1580000114.6L24L24-S26 PolarHBondContact O-N 3.2Å; L24-S26 VanDerWaalsContact O-N 3.13Å
27S43.2Very low40Very low78 Ų7882.7 Ų82.755%0.54547%0.472SS..G310 helixtrans-95.31.2-174.4-56.40000114L24 S25L24-S27 WeakPolarHBondContact O-CB 3.3Å; L24-S27 PolarHBondContact O-N 2.82Å; S25-S27 VanDerWaalsContact C-N 3.31Å
28F42.2Very low39.3Very low17 Ų1785.6 Ų85.68%0.07549%0.493CS..  trans-132.9113.9-172.1-68.4-117.9000109.4L19 L24 W30 H675 Q677 L678L19-F28 HydrophobicContact CD2-CE2 4.36Å; L19-F28 HydrophobicContact CD2-CZ 4.36Å; L24-F28 HydrophobicContact CB-CE2 4.21Å; L24-F28 WeakPolarHBondContact O-CD2 3.45Å; F28-W30 HydrophobicContact CB-CD2 4.28Å; F28-W30 HydrophobicContact CB-CG 4.43Å; F28-W30 HydrophobicContact CB-CZ2 3.9Å; F28-W30 AromaticContact CD1-CE2 3.97Å; F28-W30 AromaticContact CD1-CH2 3.95Å; F28-W30 HydrophobicContact CD1-CH2 3.95Å; F28-W30 AromaticContact CD1-CZ2 3.38Å; F28-W30 HydrophobicContact CD1-CZ2 3.38Å; F28-W30 HydrophobicContact CE1-CZ2 4.12Å; F28-W30 AromaticContact CG-CZ2 3.91Å; F28-W30 HydrophobicContact CG-CZ2 3.91Å; F28-W30 AromaticContact CG-NE1 4Å; F28-W30 PolarHBondContact O-N 3.03Å; F28-H675 AromaticContact CD1-CE1 3.85Å; F28-H675 AromaticContact CD1-ND1 3.49Å; F28-H675 WeakPolarHBondContact CD1-ND1 3.05Å; F28-H675 AromaticContact CE1-ND1 3.48Å; F28-H675 WeakPolarHBondContact CE1-ND1 3.24Å; F28-Q677 HydrophobicContact CD1-CB 4.2Å; F28-Q677 HydrophobicContact CE1-CB 3.54Å; F28-Q677 HydrophobicContact CZ-CB 3.87Å; F28-L678 HydrophobicContact CE1-CB 4.47Å
29D34.3Very low38.4Very low143 Ų14394.5 Ų94.577%0.76553%0.532SS*.  trans-87.385-177.4-165.4-2.2000111.5L31D29-L31 VanDerWaalsContact C-N 3.35Å; D29-L31 PolarHBondContact O-N 3.32Å
30W43.3Very low37.5Very low69 Ų69100 Ų10026%0.26157%0.57SS.*  trans-81.1-0.4-169.4-64.1107.1000115.7F16 L19 F28 H675F16-W30 AromaticContact CE1-CD1 3.71Å; F16-W30 HydrophobicContact CE1-CD2 4.27Å; F16-W30 HydrophobicContact CE1-CG 4.01Å; F16-W30 AromaticContact CE1-NE1 3.72Å; F16-W30 HydrophobicContact CZ-CD2 4.12Å; F16-W30 HydrophobicContact CZ-CG 4.11Å; L19-W30 HydrophobicContact CD1-CZ2 3.8Å; F28-W30 HydrophobicContact CB-CD2 4.28Å; F28-W30 HydrophobicContact CB-CG 4.43Å; F28-W30 HydrophobicContact CB-CZ2 3.9Å; F28-W30 AromaticContact CD1-CE2 3.97Å; F28-W30 AromaticContact CD1-CH2 3.95Å; F28-W30 HydrophobicContact CD1-CH2 3.95Å; F28-W30 AromaticContact CD1-CZ2 3.38Å; F28-W30 HydrophobicContact CD1-CZ2 3.38Å; F28-W30 HydrophobicContact CE1-CZ2 4.12Å; F28-W30 AromaticContact CG-CZ2 3.91Å; F28-W30 HydrophobicContact CG-CZ2 3.91Å; F28-W30 AromaticContact CG-NE1 4Å; F28-W30 PolarHBondContact O-N 3.03Å; W30-H675 HydrophobicContact CH2-CB 3.89Å; W30-H675 AromaticContact CH2-CD2 3.78Å; W30-H675 AromaticContact CH2-CG 3.52Å; W30-H675 AromaticContact CH2-ND1 3.79Å; W30-H675 HydrophobicContact CZ3-CB 4.48Å; W30-H675 AromaticContact CZ3-CD2 3.62Å; W30-H675 AromaticContact CZ3-CG 3.88Å; W30-H675 AromaticContact CZ3-NE2 3.92Å
31L28Very low36.4Very low155 Ų155101.4 Ų101.481%0.81259%0.587SS**  trans-97.55.2-158-79.1166.6000116.7D29 V33D29-L31 VanDerWaalsContact C-N 3.35Å; D29-L31 PolarHBondContact O-N 3.32Å; L31-V33 VanDerWaalsContact C-N 3.29Å; L31-V33 PolarHBondContact O-N 3.37Å
32S26.4Very low35Very low110 Ų110103.2 Ų103.277%0.76960%0.604SS**  trans-81.556.1-176.747.60000114.8
33V32.1Very low33.8Very low108 Ų108111.7 Ų111.766%0.65564%0.644SS**SBendtrans-138.393.4169.3-173.60000111.4L31L31-V33 VanDerWaalsContact C-N 3.29Å; L31-V33 PolarHBondContact O-N 3.37Å
34D27.8Very low32.6Very low164 Ų164114.8 Ų114.888%0.87765%0.653SS**  trans13.5109.2164.5-52-34.9000118.5
35E26.3Very low31.2Very low160 Ų160118.9 Ų118.975%0.74868%0.682SS**  trans-95.6126.2169.3-72.5-144.810000113.2K4K4-E35 IonicContact NZ-OE1 2.62Å
36E27.5Very low30.3Very low178 Ų178124 Ų12483%0.83271%0.706SS**  trans-104.6133.3145-75.4-163.8146.900110.4K4K4-E36 PolarHBondContact NZ-O 3.31Å
37P26.1Very low29.5Very low109 Ų109126.2 Ų126.271%0.70870%0.704SS**  trans-102.3139.4-179.136.6-32.5000113.5
38S29Very low28.7Very low98 Ų98130.6 Ų130.669%0.68572%0.716SS**  trans-139.3149.8162.356.40000110.2
39K26.7Very low27.9Very low196 Ų196134.1 Ų134.185%0.85275%0.748SS**  trans-112.6178.6-161.6-65.7179.2177.2176.80112.7
40S27.3Very low27.3Very low118 Ų118133.2 Ų133.283%0.82575%0.753SS**  trans77.1145.7167.681.30000117.5
41S28.1Very low26.5Very low116 Ų116136.4 Ų136.481%0.81178%0.78SS**  cis-160167.1-1838.60000110.7
42T23.8Very low26.2Very low129 Ų129134.1 Ų134.179%0.79178%0.777SS**  trans-90.7147-176.547.40000114.5
43E27.6Very low26.2Very low181 Ų181134.6 Ų134.685%0.84678%0.776SS**  trans-171.3107.8148.9-102.7160.1-148.600107.1
44T25.2Very low26Very low117 Ų117136.2 Ų136.272%0.71878%0.781SS**  88.3107.577.752.50000116.2
45S23.6Very low26Very low97 Ų97137.3 Ų137.368%0.67878%0.78SS**  trans38.6131.6139.8600000122.2
46N26.4Very low26.1Very low154 Ų154137 Ų13782%0.82478%0.783SS**  -158.6171.4106.7-108.4-32.9000114.7
47Q23.6Very low26.3Very low153 Ų153135.7 Ų135.772%0.71578%0.782SS**  trans-109.6-170.9-171.9-58.6-178-2.600112.7
48H26.4Very low26.5Very low171 Ų171139.3 Ų139.379%0.79279%0.789SS**  trans78.9150.2169.2-39.8-64.8000115.5
49A25.7Very low26.5Very low90 Ų90142 Ų14274%0.74480%0.796SS**  cis-138.4158.8-4.100000111.2
50S22.1Very low26.9Very low125 Ų125140.3 Ų140.387%0.87479%0.789SS**  trans-98.1124.1168.455.80000110.6
51T25.9Very low27.4Very low135 Ų135137.9 Ų137.983%0.82877%0.766SS**  trans-122.9127.8177-30.40000110.5
52S22.9Very low28.2Very low108 Ų108139.1 Ų139.176%0.75576%0.763SS**  trans-110.7121.9-17754.90000111.8
53T26.1Very low29.4Very low120 Ų120136.4 Ų136.474%0.73674%0.744SS**  trans179.9150.3162.539.50000107.5
54N28Very low30.3Very low141 Ų141128.2 Ų128.275%0.75471%0.706SS**  cis-152.5167-12-105.3-12.6000108.5
55H26.7Very low31.2Very low188 Ų188124.6 Ų124.687%0.8769%0.686SS**  trans-72133.5167.3-81.3-95.9000110.7
56L30.1Very low32Very low152 Ų152122.8 Ų122.880%0.79667%0.673SS**  trans-141.7112.1158.9-77.6179.2000110.3
57D31.3Very low33Very low152 Ų152117.4 Ų117.481%0.81364%0.644SS**  trans43.2121.6146.4-50.4-24.1000121.5
58E29.2Very low33.9Very low184 Ų184114 Ų11486%0.8663%0.628SS**  trans-86.5100.6172.6-60.9176.8123.800110.9
59D30.7Very low34.5Very low156 Ų156109.6 Ų109.683%0.83462%0.616SS**  trans-154.5157.1159.7-133.6-31.3000113.5
60K33.9Very low34.9Very low160 Ų160110.2 Ų110.270%0.69661%0.611SS**  trans68.552.1-178.5-51.8-179.6-176.51740118.3N62K60-N62 PolarHBondContact O-N 2.89Å
61L38.6Very low35.6Very low66 Ų66112.6 Ų112.635%0.34661%0.606SS.*  trans-87.363.3165.6-92.3155.4000112.6N63 V64 D242L61-N63 PolarHBondContact O-N 3.4Å; L61-V64 HydrophobicContact CD2-CB 4.31Å; L61-V64 HydrophobicContact CD2-CG2 4.41Å; L61-V64 PolarHBondContact O-N 2.72Å; L61-D242 HydrophobicContact CD2-CB 3.7Å
62N45.2Very low36.6Very low142 Ų142111.4 Ų111.476%0.75959%0.594SS**THydrogen-bonded Turntrans-58.9-9.4-169.5-72.76000117K60K60-N62 PolarHBondContact O-N 2.89Å
63N48Very low37.5Very low73 Ų73110.2 Ų110.239%0.3959%0.585SS.*THydrogen-bonded Turntrans-111.7-7.9176.3-71.9-51.7000114.5L61 H251L61-N63 PolarHBondContact O-N 3.4Å; N63-H251 PolarHBondContact O-ND1 3.37Å
64V45.7Very low38.6Very low8 Ų8110.6 Ų110.65%0.04858%0.583CS.*  trans-125.1105.9-174.1-179.10000111L61 S66 L238 A241 D242 I252 V254L61-V64 HydrophobicContact CD2-CB 4.31Å; L61-V64 HydrophobicContact CD2-CG2 4.41Å; L61-V64 PolarHBondContact O-N 2.72Å; V64-S66 PolarHBondContact O-N 3.1Å; V64-L238 HydrophobicContact CG1-CD2 4.25Å; V64-A241 HydrophobicContact CG1-CB 4.41Å; V64-D242 VanDerWaalsContact CG2-CA 3.5Å; V64-D242 HydrophobicContact CG2-CB 3.74Å; V64-I252 HydrophobicContact CG2-CG2 4.47Å; V64-V254 HydrophobicContact CG1-CG2 4.07Å
65S44.3Very low40Very low42 Ų42106.6 Ų106.629%0.29456%0.559SS.*  trans-7494166.929.10000110.4L67 Y253S65-L67 PolarHBondContact O-N 3.37Å; S65-L67 VanDerWaalsContact O-N 3.17Å; S65-Y253 WeakPolarHBondContact OG-CD1 3.5Å; S65-Y253 WeakPolarHBondContact OG-CE1 3.5Å
66S40.8Very low41.7Very low58 Ų5899.9 Ų99.941%0.40653%0.533SS..EExtended strand (participates in β ladder)trans-74.195.8173.943.90000111.5V64 E68V64-S66 PolarHBondContact O-N 3.1Å; S66-E68 PolarHBondContact O-N 3.05Å
67L47.8Very low44Very low42 Ų4294.9 Ų94.922%0.2251%0.514CS..EExtended strand (participates in β ladder)trans-82.168171.7-64.6179.6000111S65 Y253 L255S65-L67 PolarHBondContact O-N 3.37Å; S65-L67 VanDerWaalsContact O-N 3.17Å; L67-Y253 HydrophobicContact CD1-CD1 4.32Å; L67-L255 HydrophobicContact CB-CD2 4.21Å; L67-L255 HydrophobicContact CD1-CD2 4.23Å
68E41.4Very low46.6Very low82 Ų8291.8 Ų91.838%0.38349%0.494SS..  trans-64.3171.9160.4-67-108130.600110.2S66 V70 K256S66-E68 PolarHBondContact O-N 3.05Å; E68-V70 PolarHBondContact O-N 3.32Å; E68-K256 WeakPolarHBondContact OE1-CD 3.24Å; E68-K256 IonicContact OE1-NZ 2.88Å; E68-K256 PolarHBondContact OE1-NZ 3.02Å
69S39.4Very low49.5Very low77 Ų7783.1 Ų83.154%0.53845%0.454SS..SBendtrans-75.951.1-161.558.30000115.9K71S69-K71 PolarHBondContact O-N 3.31Å
70V34.9Very low52.3Low103 Ų10379.3 Ų79.362%0.62443%0.431SS*.  trans-75.3107.8173.1-175.20000109.8E68 K75E68-V70 PolarHBondContact O-N 3.32Å; V70-K75 PolarHBondContact O-NZ 3.24Å
71K36.7Very low54.9Low176 Ų17679.6 Ų79.677%0.76543%0.432SS*.  trans29.1108.2164.2-65.3-178.5179.3177.30117.1S69 S73S69-K71 PolarHBondContact O-N 3.31Å; K71-S73 PolarHBondContact O-N 3.07Å
72N46.5Very low57.4Low110 Ų11077.7 Ų77.759%0.58842%0.422SS*.THydrogen-bonded Turntrans-60.2-3.3-177-78-3.3000117.8
73S42.4Very low59.3Low82 Ų8275.3 Ų75.357%0.57340%0.403SS*.THydrogen-bonded Turntrans-67.5-56.8-167.544.60000113.7K71 S76K71-S73 PolarHBondContact O-N 3.07Å; S73-S76 PolarHBondContact O-OG 3.22Å; S73-S76 VanDerWaalsContact O-OG 3.1Å
74D49.3Very low61.2Low129 Ų12977.3 Ų77.369%0.6942%0.419SS*.THydrogen-bonded Turntrans-78.7-41-170.3-69-70.6000113.8S76 A77D74-S76 VanDerWaalsContact C-N 3.26Å; D74-S76 PolarHBondContact O-N 2.73Å; D74-A77 VanDerWaalsContact O-CB 3.26Å; D74-A77 WeakPolarHBondContact O-CB 3.29Å; D74-A77 PolarHBondContact O-N 2.83Å
75K57.2Low63.4Low57 Ų5781.2 Ų81.225%0.24844%0.444CS..THydrogen-bonded Turntrans-63.8-32.5-167.6-53.7179.5-177.7170.30112.9V70 A77 E78 E100V70-K75 PolarHBondContact O-NZ 3.24Å; K75-A77 PolarHBondContact O-N 3.11Å; K75-E78 PolarHBondContact O-N 2.83Å; K75-E100 VanDerWaalsContact CB-OE1 3.3Å; K75-E100 WeakPolarHBondContact CB-OE1 3.32Å; K75-E100 WeakPolarHBondContact CD-OE2 3.46Å
76S62.8Low65.7Low47 Ų4780.6 Ų80.633%0.32944%0.437SS..Hα-helixtrans-55.5-34.1173.267.20000113.2S73 D74 E78 F79 E80S73-S76 PolarHBondContact O-OG 3.22Å; S73-S76 VanDerWaalsContact O-OG 3.1Å; D74-S76 VanDerWaalsContact C-N 3.26Å; D74-S76 PolarHBondContact O-N 2.73Å; S76-E78 VanDerWaalsContact C-N 3.27Å; S76-E78 PolarHBondContact O-N 3.47Å; S76-F79 PolarHBondContact O-N 2.96Å; S76-F79 VanDerWaalsContact O-N 3.11Å; S76-E80 WeakPolarHBondContact O-CG 3.42Å; S76-E80 PolarHBondContact O-N 3.04Å
77A78.5Confident68Low46 Ų4679.1 Ų79.138%0.3843%0.428SS..Hα-helixtrans-66.4-23.2-175.300000113.9D74 K75 K81D74-A77 VanDerWaalsContact O-CB 3.26Å; D74-A77 WeakPolarHBondContact O-CB 3.29Å; D74-A77 PolarHBondContact O-N 2.83Å; K75-A77 PolarHBondContact O-N 3.11Å; A77-K81 WeakPolarHBondContact O-CD 3.49Å; A77-K81 VanDerWaalsContact O-CG 3.25Å; A77-K81 WeakPolarHBondContact O-CG 3.28Å; A77-K81 PolarHBondContact O-N 3.08Å
78E85.8Confident70.2Confident87 Ų8779.3 Ų79.341%0.40743%0.427SS..Hα-helixtrans-74.9-42.9170.9-75.2-162.4-147.400112K75 S76 E80 K81 L82 V103 R107K75-E78 PolarHBondContact O-N 2.83Å; S76-E78 VanDerWaalsContact C-N 3.27Å; S76-E78 PolarHBondContact O-N 3.47Å; E78-E80 VanDerWaalsContact C-N 3.33Å; E78-E80 PolarHBondContact O-N 3.05Å; E78-K81 PolarHBondContact O-N 3.09Å; E78-L82 WeakPolarHBondContact O-CB 3.42Å; E78-L82 PolarHBondContact O-N 2.97Å; E78-L82 VanDerWaalsContact O-N 3.08Å; E78-V103 HydrophobicContact CB-CG1 4.29Å; E78-V103 HydrophobicContact CB-CG2 4.2Å; E78-V103 WeakPolarHBondContact OE2-CG1 3.16Å; E78-R107 IonicContact OE1-NH2 2.85Å; E78-R107 PolarHBondContact OE1-NH2 2.71Å; E78-R107 IonicContact OE2-CZ 3.38Å; E78-R107 IonicContact OE2-NE 3.69Å; E78-R107 IonicContact OE2-NH2 2.7Å; E78-R107 PolarHBondContact OE2-NH2 3.47Å
79F89.5Confident72.6Confident3 Ų380.8 Ų80.81%0.01344%0.442CS..Hα-helixtrans-63.3-39.3175.4-179.6-89.2000111.8S76 K81 L82 R83 L86 L94 K99 I102 V103S76-F79 PolarHBondContact O-N 2.96Å; S76-F79 VanDerWaalsContact O-N 3.11Å; F79-K81 VanDerWaalsContact C-N 3.34Å; F79-K81 PolarHBondContact O-N 3.31Å; F79-L82 CarbonylContact O-C 3.55Å; F79-L82 WeakPolarHBondContact O-CB 3.48Å; F79-L82 PolarHBondContact O-N 3.26Å; F79-L82 VanDerWaalsContact O-N 3.13Å; F79-R83 PolarHBondContact O-N 2.88Å; F79-L86 HydrophobicContact CE2-CD1 4.47Å; F79-L86 HydrophobicContact CE2-CD2 3.98Å; F79-L86 HydrophobicContact CZ-CD1 4.02Å; F79-L86 HydrophobicContact CZ-CD2 4.34Å; F79-L94 HydrophobicContact CE2-CD1 4.23Å; F79-L94 HydrophobicContact CZ-CD1 4Å; F79-K99 HydrophobicContact CB-CB 3.93Å; F79-K99 HydrophobicContact CB-CD 4.23Å; F79-K99 HydrophobicContact CB-CG 4.35Å; F79-K99 HydrophobicContact CD1-CB 4.22Å; F79-K99 HydrophobicContact CD1-CD 3.47Å; F79-K99 VanDerWaalsContact CD1-CD 3.47Å; F79-K99 HydrophobicContact CD1-CG 3.72Å; F79-K99 HydrophobicContact CD2-CB 3.62Å; F79-K99 HydrophobicContact CD2-CD 4.41Å; F79-K99 HydrophobicContact CD2-CG 3.79Å; F79-K99 HydrophobicContact CE1-CD 3.9Å; F79-K99 HydrophobicContact CE1-CG 3.91Å; F79-K99 HydrophobicContact CE2-CB 4.2Å; F79-K99 HydrophobicContact CE2-CG 3.97Å; F79-K99 HydrophobicContact CG-CB 3.63Å; F79-K99 HydrophobicContact CG-CD 3.76Å; F79-K99 HydrophobicContact CG-CG 3.66Å; F79-K99 HydrophobicContact CZ-CG 4.03Å; F79-I102 HydrophobicContact CD2-CB 4.35Å; F79-I102 HydrophobicContact CD2-CG2 4.13Å; F79-I102 HydrophobicContact CE2-CB 4.18Å; F79-I102 HydrophobicContact CE2-CD1 4Å; F79-I102 HydrophobicContact CE2-CG2 3.91Å; F79-V103 HydrophobicContact CB-CG2 4.06Å
80E89.8Confident75.1Confident75 Ų7579 Ų7935%0.3542%0.423SS..Hα-helixtrans-67.5-32177.7-58.4-47142.900112.7S76 E78 L82 R83 K99S76-E80 WeakPolarHBondContact O-CG 3.42Å; S76-E80 PolarHBondContact O-N 3.04Å; E78-E80 VanDerWaalsContact C-N 3.33Å; E78-E80 PolarHBondContact O-N 3.05Å; E80-L82 VanDerWaalsContact C-N 3.33Å; E80-R83 VanDerWaalsContact CD-NH2 3.27Å; E80-R83 PolarHBondContact O-N 3.37Å; E80-R83 IonicContact OE1-CZ 3.54Å; E80-R83 IonicContact OE1-NH2 2.85Å; E80-R83 PolarHBondContact OE1-NH2 2.99Å; E80-R83 IonicContact OE2-CZ 3Å; E80-R83 IonicContact OE2-NE 2.82Å; E80-R83 PolarHBondContact OE2-NE 3.08Å; E80-R83 IonicContact OE2-NH2 2.76Å; E80-R83 PolarHBondContact OE2-NH2 2.97Å; E80-K99 IonicContact OE1-NZ 3.42Å; E80-K99 PolarHBondContact OE1-NZ 3.35Å
81K89.2Confident77.7Confident166 Ų16680.3 Ų80.372%0.72244%0.435SS*.Hα-helixtrans-66.3-34.2169.7-71.6165.8-172173.10112.5A77 E78 F79 P84A77-K81 WeakPolarHBondContact O-CD 3.49Å; A77-K81 VanDerWaalsContact O-CG 3.25Å; A77-K81 WeakPolarHBondContact O-CG 3.28Å; A77-K81 PolarHBondContact O-N 3.08Å; E78-K81 PolarHBondContact O-N 3.09Å; F79-K81 VanDerWaalsContact C-N 3.34Å; F79-K81 PolarHBondContact O-N 3.31Å; K81-P84 WeakPolarHBondContact O-CD 3.31Å
82L89.5Confident80.3Confident27 Ų2776.7 Ų76.714%0.14142%0.419CS..Hα-helixtrans-80.8-23.6179.2-179.870.3000113E78 F79 E80 P84 T85 L86 I102 V103 E106E78-L82 WeakPolarHBondContact O-CB 3.42Å; E78-L82 PolarHBondContact O-N 2.97Å; E78-L82 VanDerWaalsContact O-N 3.08Å; F79-L82 CarbonylContact O-C 3.55Å; F79-L82 WeakPolarHBondContact O-CB 3.48Å; F79-L82 PolarHBondContact O-N 3.26Å; F79-L82 VanDerWaalsContact O-N 3.13Å; E80-L82 VanDerWaalsContact C-N 3.33Å; L82-P84 VanDerWaalsContact C-N 3.27Å; L82-P84 WeakPolarHBondContact O-CD 3.48Å; L82-T85 PolarHBondContact O-N 2.77Å; L82-T85 PolarHBondContact O-OG1 3.49Å; L82-L86 HydrophobicContact CD2-CD2 3.97Å; L82-L86 HydrophobicContact CG-CD2 3.93Å; L82-L86 PolarHBondContact O-N 3.12Å; L82-I102 HydrophobicContact CD2-CG2 3.6Å; L82-V103 HydrophobicContact CD2-CG2 4.42Å; L82-E106 HydrophobicContact CD1-CB 4.48Å; L82-E106 HydrophobicContact CD1-CG 3.87Å; L82-E106 HydrophobicContact CD2-CB 4.46Å; L82-E106 HydrophobicContact CD2-CG 3.74Å; L82-E106 HydrophobicContact CG-CG 4.42Å
83R87.1Confident82.4Confident92 Ų9276.5 Ų76.535%0.34742%0.415SS..G310 helixtrans-47.2-38.1-174.4-163.9-172.9-73.1-110.65.3114.4F79 E80 T85 L86 E93F79-R83 PolarHBondContact O-N 2.88Å; E80-R83 VanDerWaalsContact CD-NH2 3.27Å; E80-R83 PolarHBondContact O-N 3.37Å; E80-R83 IonicContact OE1-CZ 3.54Å; E80-R83 IonicContact OE1-NH2 2.85Å; E80-R83 PolarHBondContact OE1-NH2 2.99Å; E80-R83 IonicContact OE2-CZ 3Å; E80-R83 IonicContact OE2-NE 2.82Å; E80-R83 PolarHBondContact OE2-NE 3.08Å; E80-R83 IonicContact OE2-NH2 2.76Å; E80-R83 PolarHBondContact OE2-NH2 2.97Å; R83-T85 PolarHBondContact O-N 3.25Å; R83-L86 HydrophobicContact CB-CD1 4.5Å; R83-L86 HydrophobicContact CG-CD1 4.08Å; R83-L86 WeakPolarHBondContact O-CD1 3.31Å; R83-L86 WeakPolarHBondContact O-CG 3.32Å; R83-E93 IonicContact CZ-OE1 3.87Å; R83-E93 IonicContact CZ-OE2 2.69Å; R83-E93 IonicContact NH1-OE1 3.8Å; R83-E93 IonicContact NH1-OE2 3.61Å; R83-E93 PolarHBondContact NH1-OE2 3Å; R83-E93 IonicContact NH2-OE1 2.88Å; R83-E93 PolarHBondContact NH2-OE1 2.94Å; R83-E93 IonicContact NH2-OE2 3.04Å; R83-E93 PolarHBondContact NH2-OE2 3.4Å
84P87.7Confident84.8Confident114 Ų11473.4 Ų73.474%0.7439%0.391SS*.G310 helixtrans-69.8-21.5177.8-20.834.6000115.8K81 L82K81-P84 WeakPolarHBondContact O-CD 3.31Å; L82-P84 VanDerWaalsContact C-N 3.27Å; L82-P84 WeakPolarHBondContact O-CD 3.48Å
85T90.8Very high86.8Confident91 Ų9169.1 Ų69.156%0.55837%0.369SS*.G310 helixtrans-116.514.3-172.254.50000113.7L82 R83 A87 R134L82-T85 PolarHBondContact O-N 2.77Å; L82-T85 PolarHBondContact O-OG1 3.49Å; R83-T85 PolarHBondContact O-N 3.25Å; T85-A87 PolarHBondContact O-N 3.36Å; T85-R134 PolarHBondContact O-NH1 3.48Å
86L92.3Very high88.3Confident29 Ų2970.4 Ų70.415%0.15237%0.372CS..  trans-55.1131.9179.3-70.7173.2000112.6F79 L82 R83 K88 I102 Y127F79-L86 HydrophobicContact CE2-CD1 4.47Å; F79-L86 HydrophobicContact CE2-CD2 3.98Å; F79-L86 HydrophobicContact CZ-CD1 4.02Å; F79-L86 HydrophobicContact CZ-CD2 4.34Å; L82-L86 HydrophobicContact CD2-CD2 3.97Å; L82-L86 HydrophobicContact CG-CD2 3.93Å; L82-L86 PolarHBondContact O-N 3.12Å; R83-L86 HydrophobicContact CB-CD1 4.5Å; R83-L86 HydrophobicContact CG-CD1 4.08Å; R83-L86 WeakPolarHBondContact O-CD1 3.31Å; R83-L86 WeakPolarHBondContact O-CG 3.32Å; L86-K88 PolarHBondContact O-N 3.42Å; L86-I102 HydrophobicContact CD2-CG2 3.71Å; L86-Y127 WeakPolarHBondContact CA-OH 3.32Å; L86-Y127 HydrophobicContact CB-CE2 4.08Å; L86-Y127 HydrophobicContact CD2-CE2 3.75Å; L86-Y127 WeakPolarHBondContact CD2-OH 3.44Å; L86-Y127 HydrophobicContact CG-CE2 4.49Å
87A90.7Very high89.7Confident27 Ų2768.3 Ų68.322%0.22336%0.357CS..SBendtrans-66.2-20.7177.300000113.8T85 Y127 A130 L131T85-A87 PolarHBondContact O-N 3.36Å; A87-Y127 HydrophobicContact CB-CE1 4.27Å; A87-Y127 HydrophobicContact CB-CE2 4.21Å; A87-Y127 PolarHBondContact N-OH 3.07Å; A87-A130 HydrophobicContact CB-CB 4.22Å; A87-L131 HydrophobicContact CB-CB 4.11Å; A87-L131 HydrophobicContact CB-CD1 4.33Å
88K92.2Very high90.4Very high45 Ų4566.1 Ų66.120%0.19634%0.339CS..SBendtrans-151.5132.9173.2-172.4178.7176.189.40109.9L86 Y90 E126 Y127 A130 F160L86-K88 PolarHBondContact O-N 3.42Å; K88-Y90 HydrophobicContact CD-CE1 4.18Å; K88-Y90 HydrophobicContact CG-CE2 4.39Å; K88-E126 HydrophobicContact CD-CB 4.02Å; K88-Y127 HydrophobicContact CB-CD2 4.23Å; K88-A130 HydrophobicContact CB-CB 3.74Å; K88-A130 HydrophobicContact CD-CB 4.37Å; K88-F160 HydrophobicContact CD-CZ 4.48Å
89T92.4Very high90.8Very high113 Ų11363 Ų6369%0.69332%0.324SS*.  trans-97.8161.7173.153.60000111.2
90Y91.8Very high90.9Very high39 Ų3963.7 Ų63.715%0.15333%0.327CS..  trans-134.1146.4-176.1-64.2-87.1000110.8K88 F92 L94 V123 E126 Y127K88-Y90 HydrophobicContact CD-CE1 4.18Å; K88-Y90 HydrophobicContact CG-CE2 4.39Å; Y90-F92 HydrophobicContact CD1-CE1 4.33Å; Y90-F92 HydrophobicContact CD1-CE2 4.4Å; Y90-F92 AromaticContact CD1-CZ 3.8Å; Y90-F92 HydrophobicContact CD1-CZ 3.8Å; Y90-F92 HydrophobicContact CG-CE2 4.43Å; Y90-F92 HydrophobicContact CG-CZ 4.23Å; Y90-F92 PolarHBondContact O-N 3.28Å; Y90-F92 VanDerWaalsContact O-N 3.14Å; Y90-L94 HydrophobicContact CD2-CD1 4.07Å; Y90-L94 HydrophobicContact CD2-CD2 3.85Å; Y90-L94 HydrophobicContact CD2-CG 4.42Å; Y90-L94 HydrophobicContact CE2-CD1 4.38Å; Y90-L94 HydrophobicContact CG-CD2 3.98Å; Y90-V123 HydrophobicContact CE1-CB 4.49Å; Y90-V123 HydrophobicContact CE1-CG1 4.17Å; Y90-V123 HydrophobicContact CE1-CG2 4.18Å; Y90-V123 HydrophobicContact CE2-CG1 3.91Å; Y90-V123 PolarHBondContact OH-O 3.4Å; Y90-E126 WeakPolarHBondContact OH-CB 3.48Å; Y90-Y127 HydrophobicContact CE2-CD2 4.4Å; Y90-Y127 PolarHBondContact OH-N 2.84Å
91P90.6Very high91Very high132 Ų13260.1 Ų60.186%0.85731%0.311SS*.SBendtrans-80.317.1-179.834.5-36.3000113.5
92F90.6Very high91.3Very high100 Ų10052.3 Ų52.344%0.43928%0.276SS..SBendtrans-146.1149.2179.151.8-98.3000109.2Y90 L94 V123Y90-F92 HydrophobicContact CD1-CE1 4.33Å; Y90-F92 HydrophobicContact CD1-CE2 4.4Å; Y90-F92 AromaticContact CD1-CZ 3.8Å; Y90-F92 HydrophobicContact CD1-CZ 3.8Å; Y90-F92 HydrophobicContact CG-CE2 4.43Å; Y90-F92 HydrophobicContact CG-CZ 4.23Å; Y90-F92 PolarHBondContact O-N 3.28Å; Y90-F92 VanDerWaalsContact O-N 3.14Å; F92-L94 HydrophobicContact CD2-CD2 3.96Å; F92-L94 HydrophobicContact CE2-CD2 3.59Å; F92-V123 HydrophobicContact CE2-CG2 4.09Å; F92-V123 HydrophobicContact CZ-CG2 3.99Å
93E91.3Very high91.5Very high106 Ų10651.6 Ų51.650%0.49527%0.273SS..PPolyproline II helixtrans-68.9137.7175.2-17565.2179.300110.4R83 K99R83-E93 IonicContact CZ-OE1 3.87Å; R83-E93 IonicContact CZ-OE2 2.69Å; R83-E93 IonicContact NH1-OE1 3.8Å; R83-E93 IonicContact NH1-OE2 3.61Å; R83-E93 PolarHBondContact NH1-OE2 3Å; R83-E93 IonicContact NH2-OE1 2.88Å; R83-E93 PolarHBondContact NH2-OE1 2.94Å; R83-E93 IonicContact NH2-OE2 3.04Å; R83-E93 PolarHBondContact NH2-OE2 3.4Å; E93-K99 VanDerWaalsContact OE1-CE 3.23Å; E93-K99 WeakPolarHBondContact OE1-CE 3.22Å; E93-K99 IonicContact OE1-NZ 2.73Å; E93-K99 PolarHBondContact OE1-NZ 3.27Å
94L91.9Very high91.7Very high16 Ų1647.5 Ų47.58%0.08426%0.258CS..PPolyproline II helixtrans-82141.9-174.4-59.8-171.4000112.3F79 Y90 F92 Q98 K99 I102 V123F79-L94 HydrophobicContact CE2-CD1 4.23Å; F79-L94 HydrophobicContact CZ-CD1 4Å; Y90-L94 HydrophobicContact CD2-CD1 4.07Å; Y90-L94 HydrophobicContact CD2-CD2 3.85Å; Y90-L94 HydrophobicContact CD2-CG 4.42Å; Y90-L94 HydrophobicContact CE2-CD1 4.38Å; Y90-L94 HydrophobicContact CG-CD2 3.98Å; F92-L94 HydrophobicContact CD2-CD2 3.96Å; F92-L94 HydrophobicContact CE2-CD2 3.59Å; L94-Q98 HydrophobicContact CB-CB 4.13Å; L94-K99 HydrophobicContact CB-CG 4.06Å; L94-I102 HydrophobicContact CD1-CD1 3.42Å; L94-I102 VanDerWaalsContact CD1-CD1 3.42Å; L94-V123 HydrophobicContact CD1-CG1 4.33Å; L94-V123 HydrophobicContact CD2-CG1 3.95Å
95D90.5Very high91.9Very high40 Ų4042.5 Ų42.521%0.21423%0.225CC..PPolyproline II helixtrans-61.2150.9171.8-63.5-26.3000110.2F97 Q98 K99 R479D95-F97 VanDerWaalsContact C-N 3.27Å; D95-F97 HydrophobicContact CB-CD1 3.7Å; D95-F97 HydrophobicContact CB-CE1 3.69Å; D95-F97 PolarHBondContact O-N 2.76Å; D95-F97 VanDerWaalsContact O-N 3.15Å; D95-F97 WeakPolarHBondContact OD2-CE1 3.44Å; D95-Q98 HydrophobicContact CB-CG 4.18Å; D95-Q98 WeakPolarHBondContact O-CA 3.3Å; D95-Q98 WeakPolarHBondContact O-CB 3.39Å; D95-Q98 PolarHBondContact O-N 2.83Å; D95-K99 PolarHBondContact O-N 3.35Å; D95-K99 VanDerWaalsContact O-N 3.08Å; D95-R479 VanDerWaalsContact CG-NH2 3.25Å; D95-R479 IonicContact OD1-CZ 2.75Å; D95-R479 IonicContact OD1-NH1 3.54Å; D95-R479 IonicContact OD1-NH2 3.75Å; D95-R479 PolarHBondContact OD1-NH2 2.86Å; D95-R479 IonicContact OD2-CZ 2.69Å; D95-R479 IonicContact OD2-NH1 2.73Å; D95-R479 PolarHBondContact OD2-NH1 3.18Å; D95-R479 IonicContact OD2-NH2 3.74Å; D95-R479 PolarHBondContact OD2-NH2 3.17Å; D95-R479 VanDerWaalsContact OD2-NH2 3.14Å
96W89.9Confident91.9Very high83 Ų8340.5 Ų40.531%0.31421%0.21SC..Hα-helixtrans-49.7-46.3-179.474.1-89.5000112.4Q98 K99 E100W96-Q98 PolarHBondContact O-N 2.8Å; W96-K99 WeakPolarHBondContact O-CA 3.28Å; W96-K99 WeakPolarHBondContact O-CB 3.25Å; W96-K99 PolarHBondContact O-N 2.93Å; W96-E100 HydrophobicContact CE3-CG 3.78Å; W96-E100 HydrophobicContact CZ3-CG 4.03Å; W96-E100 WeakPolarHBondContact O-CG 3.28Å; W96-E100 PolarHBondContact O-N 3.48Å
97F91Very high91.8Very high3 Ų345.3 Ų45.31%0.01323%0.226CC..Hα-helixtrans-67.5-23.4-178.585.4-88.2000113.3D95 A101 V113 A115 A119 T257D95-F97 VanDerWaalsContact C-N 3.27Å; D95-F97 HydrophobicContact CB-CD1 3.7Å; D95-F97 HydrophobicContact CB-CE1 3.69Å; D95-F97 PolarHBondContact O-N 2.76Å; D95-F97 VanDerWaalsContact O-N 3.15Å; D95-F97 WeakPolarHBondContact OD2-CE1 3.44Å; F97-A101 VanDerWaalsContact O-CB 3.27Å; F97-A101 WeakPolarHBondContact O-CB 3.41Å; F97-A101 PolarHBondContact O-N 3.35Å; F97-A101 VanDerWaalsContact O-N 3.09Å; F97-V113 HydrophobicContact CD2-CG1 3.78Å; F97-V113 HydrophobicContact CE2-CG1 3.7Å; F97-A115 HydrophobicContact CE2-CB 4.26Å; F97-A115 HydrophobicContact CZ-CB 4.32Å; F97-A119 VanDerWaalsContact CZ-O 3.28Å; F97-A119 WeakPolarHBondContact CZ-O 3.47Å; F97-T257 HydrophobicContact CB-CG2 4.34Å; F97-T257 HydrophobicContact CD1-CG2 3.54Å; F97-T257 HydrophobicContact CD2-CG2 4.3Å; F97-T257 HydrophobicContact CE1-CG2 3.87Å; F97-T257 HydrophobicContact CG-CG2 3.78Å; F97-T257 HydrophobicContact CZ-CG2 4.4Å
98Q93.2Very high91.7Very high1 Ų144.8 Ų44.81%0.00522%0.223CC..Hα-helixtrans-76.6-38.7173.2-63.2171-34.200110.3L94 D95 W96 A101 I102 G120 V123L94-Q98 HydrophobicContact CB-CB 4.13Å; D95-Q98 HydrophobicContact CB-CG 4.18Å; D95-Q98 WeakPolarHBondContact O-CA 3.3Å; D95-Q98 WeakPolarHBondContact O-CB 3.39Å; D95-Q98 PolarHBondContact O-N 2.83Å; W96-Q98 PolarHBondContact O-N 2.8Å; Q98-A101 PolarHBondContact O-N 2.87Å; Q98-I102 WeakPolarHBondContact O-CB 3.48Å; Q98-I102 VanDerWaalsContact O-CG1 3.28Å; Q98-I102 WeakPolarHBondContact O-CG1 3.32Å; Q98-I102 PolarHBondContact O-N 3.12Å; Q98-G120 PolarHBondContact NE2-O 3.31Å; Q98-V123 HydrophobicContact CB-CG1 4.25Å; Q98-V123 HydrophobicContact CG-CB 4.43Å; Q98-V123 HydrophobicContact CG-CG1 4.29Å
99K94.2Very high91.5Very high22 Ų2244.1 Ų44.110%0.09622%0.222CC..Hα-helixtrans-60.9-50171.7-64.7-171.2172.2-169.30111.6F79 E80 E93 L94 D95 W96 A101 I102 V103F79-K99 HydrophobicContact CB-CB 3.93Å; F79-K99 HydrophobicContact CB-CD 4.23Å; F79-K99 HydrophobicContact CB-CG 4.35Å; F79-K99 HydrophobicContact CD1-CB 4.22Å; F79-K99 HydrophobicContact CD1-CD 3.47Å; F79-K99 VanDerWaalsContact CD1-CD 3.47Å; F79-K99 HydrophobicContact CD1-CG 3.72Å; F79-K99 HydrophobicContact CD2-CB 3.62Å; F79-K99 HydrophobicContact CD2-CD 4.41Å; F79-K99 HydrophobicContact CD2-CG 3.79Å; F79-K99 HydrophobicContact CE1-CD 3.9Å; F79-K99 HydrophobicContact CE1-CG 3.91Å; F79-K99 HydrophobicContact CE2-CB 4.2Å; F79-K99 HydrophobicContact CE2-CG 3.97Å; F79-K99 HydrophobicContact CG-CB 3.63Å; F79-K99 HydrophobicContact CG-CD 3.76Å; F79-K99 HydrophobicContact CG-CG 3.66Å; F79-K99 HydrophobicContact CZ-CG 4.03Å; E80-K99 IonicContact OE1-NZ 3.42Å; E80-K99 PolarHBondContact OE1-NZ 3.35Å; E93-K99 VanDerWaalsContact OE1-CE 3.23Å; E93-K99 WeakPolarHBondContact OE1-CE 3.22Å; E93-K99 IonicContact OE1-NZ 2.73Å; E93-K99 PolarHBondContact OE1-NZ 3.27Å; L94-K99 HydrophobicContact CB-CG 4.06Å; D95-K99 PolarHBondContact O-N 3.35Å; D95-K99 VanDerWaalsContact O-N 3.08Å; W96-K99 WeakPolarHBondContact O-CA 3.28Å; W96-K99 WeakPolarHBondContact O-CB 3.25Å; W96-K99 PolarHBondContact O-N 2.93Å; K99-A101 VanDerWaalsContact C-N 3.35Å; K99-A101 PolarHBondContact O-N 2.67Å; K99-I102 PolarHBondContact O-N 3.02Å; K99-I102 VanDerWaalsContact O-N 3.16Å; K99-V103 PolarHBondContact O-N 3.45Å
100E92.8Very high91.4Very high17 Ų1739.2 Ų39.28%0.07919%0.192CC..Hα-helixtrans-57.6-45.9175.7-62-55.4104.600111.8K75 W96 I102 V103 H104 L255K75-E100 VanDerWaalsContact CB-OE1 3.3Å; K75-E100 WeakPolarHBondContact CB-OE1 3.32Å; K75-E100 WeakPolarHBondContact CD-OE2 3.46Å; W96-E100 HydrophobicContact CE3-CG 3.78Å; W96-E100 HydrophobicContact CZ3-CG 4.03Å; W96-E100 WeakPolarHBondContact O-CG 3.28Å; W96-E100 PolarHBondContact O-N 3.48Å; E100-I102 VanDerWaalsContact C-N 3.3Å; E100-I102 PolarHBondContact O-N 2.82Å; E100-V103 PolarHBondContact O-N 3.33Å; E100-H104 PolarHBondContact O-CD2 2.84Å; E100-H104 VanDerWaalsContact O-CD2 3.27Å; E100-H104 PolarHBondContact O-N 2.81Å; E100-H104 VanDerWaalsContact O-N 3.08Å; E100-L255 HydrophobicContact CB-CD1 4.02Å; E100-L255 HydrophobicContact CB-CD2 3.81Å; E100-L255 HydrophobicContact CG-CD2 4.41Å
101A92.5Very high91.4Very high0 Ų037.4 Ų37.40%019%0.185CC..Hα-helixtrans-60.1-41.5177.800000111.5F97 Q98 K99 H104 L105 L111 V113 V124 L255F97-A101 VanDerWaalsContact O-CB 3.27Å; F97-A101 WeakPolarHBondContact O-CB 3.41Å; F97-A101 PolarHBondContact O-N 3.35Å; F97-A101 VanDerWaalsContact O-N 3.09Å; Q98-A101 PolarHBondContact O-N 2.87Å; K99-A101 VanDerWaalsContact C-N 3.35Å; K99-A101 PolarHBondContact O-N 2.67Å; A101-H104 PolarHBondContact O-N 3.02Å; A101-L105 WeakPolarHBondContact O-CB 3.36Å; A101-L105 WeakPolarHBondContact O-CG 3.12Å; A101-L105 PolarHBondContact O-N 2.86Å; A101-L111 HydrophobicContact CB-CD1 3.97Å; A101-L111 WeakPolarHBondContact O-CD1 3.16Å; A101-V113 HydrophobicContact CB-CG2 4.46Å; A101-V124 HydrophobicContact CB-CB 4.49Å; A101-V124 HydrophobicContact CB-CG1 3.9Å; A101-V124 HydrophobicContact CB-CG2 3.77Å; A101-L255 HydrophobicContact CB-CD1 3.7Å
102I93.8Very high91.4Very high1 Ų131.2 Ų31.21%0.00514%0.144CC..Hα-helixtrans-63.8-43.7177.7-75.1170000111.6F79 L82 L86 L94 Q98 K99 E100 H104 L105 E106 Y127F79-I102 HydrophobicContact CD2-CB 4.35Å; F79-I102 HydrophobicContact CD2-CG2 4.13Å; F79-I102 HydrophobicContact CE2-CB 4.18Å; F79-I102 HydrophobicContact CE2-CD1 4Å; F79-I102 HydrophobicContact CE2-CG2 3.91Å; L82-I102 HydrophobicContact CD2-CG2 3.6Å; L86-I102 HydrophobicContact CD2-CG2 3.71Å; L94-I102 HydrophobicContact CD1-CD1 3.42Å; L94-I102 VanDerWaalsContact CD1-CD1 3.42Å; Q98-I102 WeakPolarHBondContact O-CB 3.48Å; Q98-I102 VanDerWaalsContact O-CG1 3.28Å; Q98-I102 WeakPolarHBondContact O-CG1 3.32Å; Q98-I102 PolarHBondContact O-N 3.12Å; K99-I102 PolarHBondContact O-N 3.02Å; K99-I102 VanDerWaalsContact O-N 3.16Å; E100-I102 VanDerWaalsContact C-N 3.3Å; E100-I102 PolarHBondContact O-N 2.82Å; I102-H104 VanDerWaalsContact C-N 3.35Å; I102-H104 PolarHBondContact O-N 2.87Å; I102-L105 PolarHBondContact O-N 3.08Å; I102-E106 WeakPolarHBondContact O-CG 3.3Å; I102-E106 PolarHBondContact O-N 2.96Å; I102-E106 VanDerWaalsContact O-N 3.08Å; I102-Y127 HydrophobicContact CB-CD1 4.44Å; I102-Y127 HydrophobicContact CB-CE1 4.45Å; I102-Y127 HydrophobicContact CD1-CD2 3.75Å; I102-Y127 HydrophobicContact CD1-CE2 4.18Å; I102-Y127 HydrophobicContact CD1-CG 4Å; I102-Y127 HydrophobicContact CG1-CD1 3.87Å; I102-Y127 HydrophobicContact CG1-CD2 3.88Å; I102-Y127 HydrophobicContact CG1-CE1 4.29Å; I102-Y127 HydrophobicContact CG1-CE2 4.28Å; I102-Y127 HydrophobicContact CG1-CG 3.66Å; I102-Y127 HydrophobicContact CG2-CD1 4.24Å; I102-Y127 HydrophobicContact CG2-CD2 4.41Å; I102-Y127 HydrophobicContact CG2-CE1 3.78Å; I102-Y127 HydrophobicContact CG2-CE2 3.96Å
103V93.6Very high91.3Very high13 Ų1326.5 Ų26.58%0.07912%0.124CC..Hα-helixtrans-58.7-45.5176.1171.10000111.3E78 F79 L82 K99 E100 E106 R107E78-V103 HydrophobicContact CB-CG1 4.29Å; E78-V103 HydrophobicContact CB-CG2 4.2Å; E78-V103 WeakPolarHBondContact OE2-CG1 3.16Å; F79-V103 HydrophobicContact CB-CG2 4.06Å; L82-V103 HydrophobicContact CD2-CG2 4.42Å; K99-V103 PolarHBondContact O-N 3.45Å; E100-V103 PolarHBondContact O-N 3.33Å; V103-E106 PolarHBondContact O-N 3.31Å; V103-R107 VanDerWaalsContact O-CG 3.32Å; V103-R107 WeakPolarHBondContact O-CG 3.41Å; V103-R107 PolarHBondContact O-N 3.24Å; V103-R107 VanDerWaalsContact O-N 3.09Å
104H92Very high91.1Very high6 Ų621.4 Ų21.43%0.02810%0.1CC..Hα-helixtrans-68.6-33.3176.5-78.3-61.6000114E100 A101 I102 R107 G108 D109 L111 Y253E100-H104 PolarHBondContact O-CD2 2.84Å; E100-H104 VanDerWaalsContact O-CD2 3.27Å; E100-H104 PolarHBondContact O-N 2.81Å; E100-H104 VanDerWaalsContact O-N 3.08Å; A101-H104 PolarHBondContact O-N 3.02Å; I102-H104 VanDerWaalsContact C-N 3.35Å; I102-H104 PolarHBondContact O-N 2.87Å; H104-R107 PolarHBondContact O-N 2.81Å; H104-G108 PolarHBondContact O-N 3.28Å; H104-D109 HydrophobicContact CB-CB 4.19Å; H104-D109 IonicContact CE1-OD2 3.44Å; H104-D109 IonicContact CG-OD2 2.68Å; H104-D109 IonicContact ND1-OD2 3.04Å; H104-D109 PolarHBondContact ND1-OD2 3.46Å; H104-D109 WeakPolarHBondContact O-CB 3.47Å; H104-D109 PolarHBondContact O-N 2.97Å; H104-L111 HydrophobicContact CB-CD1 4.21Å; H104-L111 HydrophobicContact CB-CD2 3.65Å; H104-L111 HydrophobicContact CB-CG 4.18Å; H104-Y253 AromaticContact CE1-CD1 3.16Å; H104-Y253 WeakPolarHBondContact CE1-CD1 3.41Å; H104-Y253 AromaticContact CE1-CD2 3.94Å; H104-Y253 AromaticContact CE1-CE1 3.19Å; H104-Y253 WeakPolarHBondContact CE1-CE1 3.48Å; H104-Y253 AromaticContact CE1-CE2 3.97Å; H104-Y253 AromaticContact CE1-CG 3.55Å; H104-Y253 AromaticContact CE1-CZ 3.59Å; H104-Y253 AromaticContact ND1-CD1 3.79Å; H104-Y253 AromaticContact ND1-CD2 3.7Å; H104-Y253 AromaticContact ND1-CE1 3.87Å; H104-Y253 AromaticContact ND1-CE2 3.8Å; H104-Y253 AromaticContact ND1-CG 3.7Å; H104-Y253 AromaticContact ND1-CZ 3.86Å; H104-Y253 AromaticContact NE2-CD1 3.53Å; H104-Y253 AromaticContact NE2-CE1 3.95Å; H104-Y253 AromaticContact NE2-CG 3.93Å
105L91.8Very high90.8Very high9 Ų920.7 Ų20.75%0.04710%0.096CC..Hα-helixtrans-64.3-40.8174.7-75.4172000112.1A101 I102 G108 L111 V124 Y127 A128 L131 I228A101-L105 WeakPolarHBondContact O-CB 3.36Å; A101-L105 WeakPolarHBondContact O-CG 3.12Å; A101-L105 PolarHBondContact O-N 2.86Å; I102-L105 PolarHBondContact O-N 3.08Å; L105-G108 WeakPolarHBondContact O-CA 3.45Å; L105-G108 PolarHBondContact O-N 3.31Å; L105-G108 VanDerWaalsContact O-N 3.1Å; L105-L111 HydrophobicContact CD2-CD1 3.97Å; L105-L111 HydrophobicContact CG-CD1 3.79Å; L105-V124 HydrophobicContact CD1-CG1 4.08Å; L105-Y127 HydrophobicContact CB-CD1 4.47Å; L105-Y127 HydrophobicContact CD1-CD1 3.98Å; L105-A128 HydrophobicContact CD1-CB 3.83Å; L105-A128 HydrophobicContact CD2-CB 3.91Å; L105-L131 HydrophobicContact CB-CD2 3.89Å; L105-L131 VanDerWaalsContact O-CD2 3.26Å; L105-L131 WeakPolarHBondContact O-CD2 3.47Å; L105-I228 HydrophobicContact CD2-CD1 3.44Å; L105-I228 VanDerWaalsContact CD2-CD1 3.44Å; L105-I228 HydrophobicContact CD2-CG1 4Å
106E91.9Very high90.3Very high49 Ų4920.1 Ų20.123%0.2299%0.092CC..Hα-helixtrans-68.2-42.3176.5-70.6-72.5172.800112.4L82 I102 V103 G108 Y127 R134L82-E106 HydrophobicContact CD1-CB 4.48Å; L82-E106 HydrophobicContact CD1-CG 3.87Å; L82-E106 HydrophobicContact CD2-CB 4.46Å; L82-E106 HydrophobicContact CD2-CG 3.74Å; L82-E106 HydrophobicContact CG-CG 4.42Å; I102-E106 WeakPolarHBondContact O-CG 3.3Å; I102-E106 PolarHBondContact O-N 2.96Å; I102-E106 VanDerWaalsContact O-N 3.08Å; V103-E106 PolarHBondContact O-N 3.31Å; E106-G108 PolarHBondContact O-N 3.43Å; E106-G108 VanDerWaalsContact O-N 3.15Å; E106-Y127 HydrophobicContact CG-CE1 4.25Å; E106-Y127 PolarHBondContact OE1-OH 3.2Å; E106-R134 IonicContact OE1-CZ 3.58Å; E106-R134 IonicContact OE1-NH1 2.74Å; E106-R134 PolarHBondContact OE1-NH1 3.01Å; E106-R134 IonicContact OE1-NH2 3.54Å; E106-R134 IonicContact OE2-CZ 3.46Å; E106-R134 IonicContact OE2-NH1 3.48Å; E106-R134 PolarHBondContact OE2-NH1 2.96Å; E106-R134 IonicContact OE2-NH2 2.68Å; E106-R134 PolarHBondContact OE2-NH2 2.89Å
107R90.1Very high89.6Confident129 Ų12917.4 Ų17.449%0.4879%0.085SC..Hα-helixtrans-58.4-22.3168.1-69.3168174.6-147.7-0.2112.5E78 V103 H104 D109E78-R107 IonicContact OE1-NH2 2.85Å; E78-R107 PolarHBondContact OE1-NH2 2.71Å; E78-R107 IonicContact OE2-CZ 3.38Å; E78-R107 IonicContact OE2-NE 3.69Å; E78-R107 IonicContact OE2-NH2 2.7Å; E78-R107 PolarHBondContact OE2-NH2 3.47Å; V103-R107 VanDerWaalsContact O-CG 3.32Å; V103-R107 WeakPolarHBondContact O-CG 3.41Å; V103-R107 PolarHBondContact O-N 3.24Å; V103-R107 VanDerWaalsContact O-N 3.09Å; H104-R107 PolarHBondContact O-N 2.81Å; R107-D109 WeakPolarHBondContact CB-OD2 3.4Å
108G87.6Confident88.9Confident16 Ų1619 Ų1917%0.16510%0.096CC..THydrogen-bonded Turntrans85.319.1178.100000114.2H104 L105 E106 K226H104-G108 PolarHBondContact O-N 3.28Å; L105-G108 WeakPolarHBondContact O-CA 3.45Å; L105-G108 PolarHBondContact O-N 3.31Å; L105-G108 VanDerWaalsContact O-N 3.1Å; E106-G108 PolarHBondContact O-N 3.43Å; E106-G108 VanDerWaalsContact O-N 3.15Å; G108-K226 VanDerWaalsContact CA-NZ 3.34Å; G108-K226 VanDerWaalsContact O-CD 3.24Å; G108-K226 WeakPolarHBondContact O-CD 3.27Å; G108-K226 WeakPolarHBondContact O-CE 3.15Å; G108-K226 PolarHBondContact O-NZ 3.33Å
109D88.8Confident88.3Confident32 Ų3219 Ų1917%0.17110%0.096CC..  trans-66.8165.5177.3-65.2-49.5000112.1H104 R107 Y253H104-D109 HydrophobicContact CB-CB 4.19Å; H104-D109 IonicContact CE1-OD2 3.44Å; H104-D109 IonicContact CG-OD2 2.68Å; H104-D109 IonicContact ND1-OD2 3.04Å; H104-D109 PolarHBondContact ND1-OD2 3.46Å; H104-D109 WeakPolarHBondContact O-CB 3.47Å; H104-D109 PolarHBondContact O-N 2.97Å; R107-D109 WeakPolarHBondContact CB-OD2 3.4Å; D109-Y253 HydrophobicContact CB-CD2 3.8Å; D109-Y253 HydrophobicContact CB-CE2 3.85Å; D109-Y253 WeakPolarHBondContact OD1-CE2 3.33Å; D109-Y253 WeakPolarHBondContact OD2-CE2 3.01Å
110S90.2Very high87.9Confident10 Ų1018.8 Ų18.87%0.0710%0.101CC..EExtended strand (participates in β ladder)trans-91150.2162.4-64.40000110.3V227 I252 Y253S110-V227 CarbonylContact C-O 3.49Å; S110-V227 WeakPolarHBondContact CA-O 3.42Å; S110-V227 WeakPolarHBondContact CB-O 3.46Å; S110-V227 PolarHBondContact OG-N 2.67Å; S110-V227 VanDerWaalsContact OG-N 3.16Å; S110-I252 WeakPolarHBondContact O-CA 3.48Å; S110-Y253 PolarHBondContact O-N 3.14Å
111L91Very high87.5Confident0 Ų019.5 Ų19.50%010%0.104CC..EExtended strand (participates in β ladder)trans-132.2142.7-169.5-78.2-176.3000113.7A101 H104 L105 V227 I228 M229 L255A101-L111 HydrophobicContact CB-CD1 3.97Å; A101-L111 WeakPolarHBondContact O-CD1 3.16Å; H104-L111 HydrophobicContact CB-CD1 4.21Å; H104-L111 HydrophobicContact CB-CD2 3.65Å; H104-L111 HydrophobicContact CB-CG 4.18Å; L105-L111 HydrophobicContact CD2-CD1 3.97Å; L105-L111 HydrophobicContact CG-CD1 3.79Å; L111-V227 PolarHBondContact N-O 2.68Å; L111-I228 HydrophobicContact CB-CG2 4.23Å; L111-I228 CarbonylContact O-C 3.57Å; L111-I228 WeakPolarHBondContact O-CA 3.37Å; L111-M229 PolarHBondContact O-N 3.42Å; L111-L255 HydrophobicContact CD2-CD1 4.17Å
112F89.8Confident87.3Confident3 Ų321.4 Ų21.41%0.01312%0.115CC..EExtended strand (participates in β ladder)trans-124102.5164.7-162.6-14.7000110A114 M229 I237 F240 A241 I252 Y253 V254 L255F112-A114 HydrophobicContact CE1-CB 4.45Å; F112-M229 HydrophobicContact CB-CB 4.48Å; F112-M229 HydrophobicContact CB-CE 3.89Å; F112-M229 HydrophobicContact CD1-CB 3.67Å; F112-M229 HydrophobicContact CD1-CE 4.31Å; F112-M229 HydrophobicContact CD2-CE 3.34Å; F112-M229 HydrophobicContact CD2-SD 4.42Å; F112-M229 HydrophobicContact CE1-CB 4.05Å; F112-M229 HydrophobicContact CE2-CE 3.88Å; F112-M229 HydrophobicContact CE2-SD 4.49Å; F112-M229 HydrophobicContact CG-CB 4.06Å; F112-M229 HydrophobicContact CG-CE 3.59Å; F112-I237 HydrophobicContact CD1-CG2 4.25Å; F112-I237 HydrophobicContact CD2-CG2 3.63Å; F112-I237 HydrophobicContact CE1-CG2 4.18Å; F112-I237 HydrophobicContact CE2-CG2 3.55Å; F112-I237 HydrophobicContact CG-CG2 3.99Å; F112-I237 HydrophobicContact CZ-CG2 3.85Å; F112-F240 HydrophobicContact CE2-CB 4.39Å; F112-F240 AromaticContact CE2-CD1 3.74Å; F112-F240 HydrophobicContact CE2-CD1 3.74Å; F112-F240 HydrophobicContact CZ-CD1 4.33Å; F112-A241 HydrophobicContact CD2-CB 4.13Å; F112-I252 HydrophobicContact CB-CD1 4.24Å; F112-I252 HydrophobicContact CB-CG1 4.45Å; F112-Y253 PolarHBondContact N-O 3.13Å; F112-V254 HydrophobicContact CB-CG2 4.27Å; F112-V254 WeakPolarHBondContact O-CA 3.39Å; F112-L255 PolarHBondContact O-N 2.9Å
113V89.2Confident87.2Confident0 Ų021.7 Ų21.70%012%0.117CC..EExtended strand (participates in β ladder)trans-92.9109172.5-175.10000109.7F97 A101 A115 K121 V124 M229 L230 S231 L255F97-V113 HydrophobicContact CD2-CG1 3.78Å; F97-V113 HydrophobicContact CE2-CG1 3.7Å; A101-V113 HydrophobicContact CB-CG2 4.46Å; V113-A115 HydrophobicContact CG1-CB 4.2Å; V113-K121 HydrophobicContact CG1-CD 4.37Å; V113-K121 HydrophobicContact CG1-CG 4.27Å; V113-V124 HydrophobicContact CG2-CG1 4.2Å; V113-V124 HydrophobicContact CG2-CG2 4.39Å; V113-M229 PolarHBondContact N-O 3.21Å; V113-L230 HydrophobicContact CB-CD2 3.96Å; V113-L230 HydrophobicContact CG2-CD2 4.22Å; V113-L230 CarbonylContact O-C 3.51Å; V113-S231 PolarHBondContact O-N 3.17Å; V113-L255 CarbonylContact C-O 3.52Å; V113-L255 WeakPolarHBondContact CA-O 3.45Å; V113-L255 HydrophobicContact CG2-CB 4.47Å; V113-L255 HydrophobicContact CG2-CD1 4.45Å
114A87.2Confident87.1Confident0 Ų021 Ų210%011%0.113CC..EExtended strand (participates in β ladder)trans-106.289.417500000109.4F112 I237 L255 K256 T257F112-A114 HydrophobicContact CE1-CB 4.45Å; A114-I237 HydrophobicContact CB-CD1 3.38Å; A114-I237 HydrophobicContact CB-CG1 3.99Å; A114-I237 HydrophobicContact CB-CG2 4.18Å; A114-L255 PolarHBondContact N-O 3.43Å; A114-K256 WeakPolarHBondContact O-CA 3.34Å; A114-T257 PolarHBondContact O-N 3.45Å; A114-T257 VanDerWaalsContact O-N 3.13Å
115A85.8Confident87Confident0 Ų020.8 Ų20.80%011%0.112CC..  trans-126.9160.3-177.100000111.8F97 V113 A119 K121 S231 A232 T233 T257F97-A115 HydrophobicContact CE2-CB 4.26Å; F97-A115 HydrophobicContact CZ-CB 4.32Å; V113-A115 HydrophobicContact CG1-CB 4.2Å; A115-A119 HydrophobicContact CB-CB 4.08Å; A115-K121 HydrophobicContact CB-CD 4.03Å; A115-K121 HydrophobicContact CB-CG 3.84Å; A115-K121 PolarHBondContact O-NZ 3.31Å; A115-S231 PolarHBondContact N-O 3.03Å; A115-A232 CarbonylContact O-C 3.5Å; A115-A232 VanDerWaalsContact O-CA 3.24Å; A115-A232 WeakPolarHBondContact O-CA 3.34Å; A115-T233 PolarHBondContact O-N 2.72Å; A115-T257 VanDerWaalsContact CA-OG1 3.24Å; A115-T257 WeakPolarHBondContact CA-OG1 3.31Å; A115-T257 HydrophobicContact CB-CG2 3.59Å; A115-T257 WeakPolarHBondContact CB-OG1 3.33Å
116H81Confident87Confident28 Ų2821.5 Ų21.513%0.1312%0.115CC..  trans-62.2170.3-179.8-60.9-76.4000113.2A119 K121 T233 T257 Q259 R260H116-A119 HydrophobicContact CB-CB 4.28Å; H116-A119 WeakPolarHBondContact O-CB 3.47Å; H116-K121 PolarHBondContact O-NZ 2.83Å; H116-T233 PolarHBondContact ND1-OG1 3.14Å; H116-T257 PolarHBondContact N-OG1 3.45Å; H116-Q259 VanDerWaalsContact CD2-C 3.46Å; H116-Q259 PolarHBondContact CD2-O 2.96Å; H116-R260 HydrophobicContact CB-CG 3.95Å
117T74.4Confident87.1Confident27 Ų2719.1 Ų19.117%0.16610%0.104CC..THydrogen-bonded Turntrans-62.6156.4159.849.10000109.9A119 G474T117-A119 PolarHBondContact O-N 3.46Å; T117-G474 WeakPolarHBondContact CB-O 3.3Å; T117-G474 VanDerWaalsContact OG1-C 3.25Å; T117-G474 WeakPolarHBondContact OG1-CA 3.3Å; T117-G474 PolarHBondContact OG1-O 2.95Å
118S75.3Confident87.2Confident35 Ų3513 Ų1325%0.2458%0.081CC..THydrogen-bonded Turntrans52-1.7-16970.20000117.7G120S118-G120 PolarHBondContact O-N 3.08Å
119A82.4Confident87.4Confident1 Ų112.3 Ų12.31%0.0087%0.073CC..SBendtrans-69.22.3179.300000115.6F97 A115 H116 T117 P261 R479F97-A119 VanDerWaalsContact CZ-O 3.28Å; F97-A119 WeakPolarHBondContact CZ-O 3.47Å; A115-A119 HydrophobicContact CB-CB 4.08Å; H116-A119 HydrophobicContact CB-CB 4.28Å; H116-A119 WeakPolarHBondContact O-CB 3.47Å; T117-A119 PolarHBondContact O-N 3.46Å; A119-P261 HydrophobicContact CB-CG 4.19Å; A119-R479 PolarHBondContact O-NH1 3.17Å
120G84.1Confident87.6Confident19 Ų1911.1 Ų11.120%0.1967%0.068CC..  trans83.124.2175.200000115.9Q98 S118 T122 V123Q98-G120 PolarHBondContact NE2-O 3.31Å; S118-G120 PolarHBondContact O-N 3.08Å; G120-T122 PolarHBondContact O-N 2.98Å; G120-T122 VanDerWaalsContact O-N 3.08Å; G120-V123 WeakPolarHBondContact O-CB 3.38Å; G120-V123 PolarHBondContact O-N 2.91Å
121K86.2Confident87.7Confident32 Ų3210.9 Ų10.914%0.1397%0.066CC..THydrogen-bonded Turntrans-53.6-27.5176.6-71.3-164.3-68-84.40114.6V113 A115 H116 V123 V124 L230 S231V113-K121 HydrophobicContact CG1-CD 4.37Å; V113-K121 HydrophobicContact CG1-CG 4.27Å; A115-K121 HydrophobicContact CB-CD 4.03Å; A115-K121 HydrophobicContact CB-CG 3.84Å; A115-K121 PolarHBondContact O-NZ 3.31Å; H116-K121 PolarHBondContact O-NZ 2.83Å; K121-V123 PolarHBondContact O-N 2.89Å; K121-V124 WeakPolarHBondContact O-CB 3.17Å; K121-V124 PolarHBondContact O-N 2.91Å; K121-V124 VanDerWaalsContact O-N 3.11Å; K121-L230 HydrophobicContact CB-CD2 4.5Å; K121-L230 HydrophobicContact CD-CB 4.15Å; K121-L230 VanDerWaalsContact CE-O 3.27Å; K121-L230 WeakPolarHBondContact CE-O 3.22Å; K121-S231 WeakPolarHBondContact CD-O 3.26Å; K121-S231 WeakPolarHBondContact CE-O 3.16Å; K121-S231 PolarHBondContact NZ-O 2.84Å
122T86.7Confident87.6Confident39 Ų3910.9 Ų10.924%0.2397%0.066CC..Hα-helixtrans-58.8-32.5179.9-28.90000112.9G120 V124 A125 E126G120-T122 PolarHBondContact O-N 2.98Å; G120-T122 VanDerWaalsContact O-N 3.08Å; T122-V124 PolarHBondContact O-N 2.86Å; T122-A125 WeakPolarHBondContact O-CA 3.38Å; T122-A125 WeakPolarHBondContact O-CB 3.34Å; T122-A125 PolarHBondContact O-N 3.44Å; T122-E126 WeakPolarHBondContact CB-OE1 3.35Å; T122-E126 HydrophobicContact CG2-CG 4.36Å; T122-E126 WeakPolarHBondContact CG2-OE1 3.45Å; T122-E126 WeakPolarHBondContact O-CG 3.33Å; T122-E126 PolarHBondContact O-N 2.78Å
123V91.6Very high87.7Confident7 Ų714.3 Ų14.34%0.0428%0.082CC..Hα-helixtrans-54.3-38.8175.1170.90000111.9Y90 F92 L94 Q98 G120 K121 A125 Y127Y90-V123 HydrophobicContact CE1-CB 4.49Å; Y90-V123 HydrophobicContact CE1-CG1 4.17Å; Y90-V123 HydrophobicContact CE1-CG2 4.18Å; Y90-V123 HydrophobicContact CE2-CG1 3.91Å; Y90-V123 PolarHBondContact OH-O 3.4Å; F92-V123 HydrophobicContact CE2-CG2 4.09Å; F92-V123 HydrophobicContact CZ-CG2 3.99Å; L94-V123 HydrophobicContact CD1-CG1 4.33Å; L94-V123 HydrophobicContact CD2-CG1 3.95Å; Q98-V123 HydrophobicContact CB-CG1 4.25Å; Q98-V123 HydrophobicContact CG-CB 4.43Å; Q98-V123 HydrophobicContact CG-CG1 4.29Å; G120-V123 WeakPolarHBondContact O-CB 3.38Å; G120-V123 PolarHBondContact O-N 2.91Å; K121-V123 PolarHBondContact O-N 2.89Å; V123-A125 VanDerWaalsContact C-N 3.33Å; V123-A125 PolarHBondContact O-N 2.9Å; V123-Y127 VanDerWaalsContact O-CB 3.31Å; V123-Y127 WeakPolarHBondContact O-CB 3.44Å; V123-Y127 PolarHBondContact O-N 3.17Å
124V91.9Very high87.7Confident0 Ų019.3 Ų19.30%010%0.101CC..Hα-helixtrans-69.6-33.1178.3-175.30000111A101 L105 V113 K121 T122 A128 I228 L230A101-V124 HydrophobicContact CB-CB 4.49Å; A101-V124 HydrophobicContact CB-CG1 3.9Å; A101-V124 HydrophobicContact CB-CG2 3.77Å; L105-V124 HydrophobicContact CD1-CG1 4.08Å; V113-V124 HydrophobicContact CG2-CG1 4.2Å; V113-V124 HydrophobicContact CG2-CG2 4.39Å; K121-V124 WeakPolarHBondContact O-CB 3.17Å; K121-V124 PolarHBondContact O-N 2.91Å; K121-V124 VanDerWaalsContact O-N 3.11Å; T122-V124 PolarHBondContact O-N 2.86Å; V124-A128 WeakPolarHBondContact O-CB 3.29Å; V124-A128 PolarHBondContact O-N 3.37Å; V124-A128 VanDerWaalsContact O-N 3.17Å; V124-I228 HydrophobicContact CG1-CG2 4.19Å; V124-L230 HydrophobicContact CB-CD2 4.19Å; V124-L230 HydrophobicContact CG1-CD2 4.28Å
125A90Very high87.8Confident0 Ų024.4 Ų24.40%013%0.125CC..Hα-helixtrans-72.4-49.4174.400000112.3T122 V123 Y127 A128 I129 Y141 F156 F207 L230T122-A125 WeakPolarHBondContact O-CA 3.38Å; T122-A125 WeakPolarHBondContact O-CB 3.34Å; T122-A125 PolarHBondContact O-N 3.44Å; V123-A125 VanDerWaalsContact C-N 3.33Å; V123-A125 PolarHBondContact O-N 2.9Å; A125-Y127 VanDerWaalsContact C-N 3.32Å; A125-Y127 PolarHBondContact O-N 3.49Å; A125-A128 PolarHBondContact O-N 2.89Å; A125-I129 VanDerWaalsContact O-CG1 3.31Å; A125-I129 WeakPolarHBondContact O-CG1 3.31Å; A125-I129 PolarHBondContact O-N 2.92Å; A125-Y141 HydrophobicContact CB-CD2 4.44Å; A125-Y141 HydrophobicContact CB-CE2 4.11Å; A125-F156 HydrophobicContact CB-CZ 4.49Å; A125-F207 VanDerWaalsContact CA-CE1 3.41Å; A125-F207 HydrophobicContact CB-CD1 3.82Å; A125-F207 HydrophobicContact CB-CD2 4.48Å; A125-F207 HydrophobicContact CB-CE1 3.71Å; A125-F207 HydrophobicContact CB-CE2 4.37Å; A125-F207 HydrophobicContact CB-CG 4.22Å; A125-F207 HydrophobicContact CB-CZ 3.99Å; A125-L230 HydrophobicContact CB-CD1 3.99Å
126E92.6Very high87.9Confident24 Ų2431.8 Ų31.811%0.11216%0.164CC..Hα-helixtrans-58.9-42.8178.7-69.3166.2-131.900111.5K88 Y90 T122 A130 F156 M159 F160K88-E126 HydrophobicContact CD-CB 4.02Å; Y90-E126 WeakPolarHBondContact OH-CB 3.48Å; T122-E126 WeakPolarHBondContact CB-OE1 3.35Å; T122-E126 HydrophobicContact CG2-CG 4.36Å; T122-E126 WeakPolarHBondContact CG2-OE1 3.45Å; T122-E126 WeakPolarHBondContact O-CG 3.33Å; T122-E126 PolarHBondContact O-N 2.78Å; E126-A130 WeakPolarHBondContact O-CB 3.36Å; E126-A130 PolarHBondContact O-N 2.85Å; E126-F156 HydrophobicContact CG-CE1 4.03Å; E126-M159 HydrophobicContact CG-SD 3.85Å; E126-F160 WeakPolarHBondContact O-CZ 3.34Å
127Y94Very high88.1Confident0 Ų031.1 Ų31.10%016%0.162CC..Hα-helixtrans-65.7-44.3175.2-165.1-86.1000112.2L86 A87 K88 Y90 I102 L105 E106 V123 A125 I129 A130 L131L86-Y127 WeakPolarHBondContact CA-OH 3.32Å; L86-Y127 HydrophobicContact CB-CE2 4.08Å; L86-Y127 HydrophobicContact CD2-CE2 3.75Å; L86-Y127 WeakPolarHBondContact CD2-OH 3.44Å; L86-Y127 HydrophobicContact CG-CE2 4.49Å; A87-Y127 HydrophobicContact CB-CE1 4.27Å; A87-Y127 HydrophobicContact CB-CE2 4.21Å; A87-Y127 PolarHBondContact N-OH 3.07Å; K88-Y127 HydrophobicContact CB-CD2 4.23Å; Y90-Y127 HydrophobicContact CE2-CD2 4.4Å; Y90-Y127 PolarHBondContact OH-N 2.84Å; I102-Y127 HydrophobicContact CB-CD1 4.44Å; I102-Y127 HydrophobicContact CB-CE1 4.45Å; I102-Y127 HydrophobicContact CD1-CD2 3.75Å; I102-Y127 HydrophobicContact CD1-CE2 4.18Å; I102-Y127 HydrophobicContact CD1-CG 4Å; I102-Y127 HydrophobicContact CG1-CD1 3.87Å; I102-Y127 HydrophobicContact CG1-CD2 3.88Å; I102-Y127 HydrophobicContact CG1-CE1 4.29Å; I102-Y127 HydrophobicContact CG1-CE2 4.28Å; I102-Y127 HydrophobicContact CG1-CG 3.66Å; I102-Y127 HydrophobicContact CG2-CD1 4.24Å; I102-Y127 HydrophobicContact CG2-CD2 4.41Å; I102-Y127 HydrophobicContact CG2-CE1 3.78Å; I102-Y127 HydrophobicContact CG2-CE2 3.96Å; L105-Y127 HydrophobicContact CB-CD1 4.47Å; L105-Y127 HydrophobicContact CD1-CD1 3.98Å; E106-Y127 HydrophobicContact CG-CE1 4.25Å; E106-Y127 PolarHBondContact OE1-OH 3.2Å; V123-Y127 VanDerWaalsContact O-CB 3.31Å; V123-Y127 WeakPolarHBondContact O-CB 3.44Å; V123-Y127 PolarHBondContact O-N 3.17Å; A125-Y127 VanDerWaalsContact C-N 3.32Å; A125-Y127 PolarHBondContact O-N 3.49Å; Y127-I129 VanDerWaalsContact C-N 3.32Å; Y127-I129 PolarHBondContact O-N 3.09Å; Y127-A130 PolarHBondContact O-N 3.07Å; Y127-L131 HydrophobicContact CD1-CB 4.42Å; Y127-L131 HydrophobicContact CE1-CB 4.31Å; Y127-L131 HydrophobicContact CE1-CD2 4.29Å; Y127-L131 WeakPolarHBondContact O-CB 3.44Å; Y127-L131 PolarHBondContact O-N 3.17Å
128A92.4Very high88.7Confident0 Ų033.2 Ų33.20%017%0.167CC..Hα-helixtrans-65.4-33.3179.900000113.2L105 V124 A125 C132 K205 F207 I228L105-A128 HydrophobicContact CD1-CB 3.83Å; L105-A128 HydrophobicContact CD2-CB 3.91Å; V124-A128 WeakPolarHBondContact O-CB 3.29Å; V124-A128 PolarHBondContact O-N 3.37Å; V124-A128 VanDerWaalsContact O-N 3.17Å; A125-A128 PolarHBondContact O-N 2.89Å; A128-C132 PolarHBondContact O-N 3.18Å; A128-K205 HydrophobicContact CB-CD 3.97Å; A128-K205 WeakPolarHBondContact O-CD 3.49Å; A128-K205 PolarHBondContact O-NZ 2.79Å; A128-F207 HydrophobicContact CB-CE1 3.96Å; A128-F207 HydrophobicContact CB-CZ 3.59Å; A128-I228 HydrophobicContact CB-CD1 3.4Å
129I91.4Very high89.3Confident1 Ų131.6 Ų31.61%0.00516%0.155CC..Hα-helixtrans-69.3-48.5172.2-66.9164.1000110.5A125 Y127 L131 C132 Q133 A139 F156 F160 F177 C178 F207A125-I129 VanDerWaalsContact O-CG1 3.31Å; A125-I129 WeakPolarHBondContact O-CG1 3.31Å; A125-I129 PolarHBondContact O-N 2.92Å; Y127-I129 VanDerWaalsContact C-N 3.32Å; Y127-I129 PolarHBondContact O-N 3.09Å; I129-L131 VanDerWaalsContact C-N 3.27Å; I129-L131 PolarHBondContact O-N 3.43Å; I129-C132 WeakPolarHBondContact O-CA 3.46Å; I129-C132 VanDerWaalsContact O-CB 3.28Å; I129-C132 WeakPolarHBondContact O-CB 3.47Å; I129-C132 PolarHBondContact O-N 3.04Å; I129-Q133 PolarHBondContact O-N 3Å; I129-A139 HydrophobicContact CG1-CB 4.21Å; I129-F156 HydrophobicContact CD1-CD2 3.85Å; I129-F156 HydrophobicContact CD1-CE1 4.28Å; I129-F156 HydrophobicContact CD1-CE2 3.4Å; I129-F156 HydrophobicContact CD1-CG 4.48Å; I129-F156 HydrophobicContact CD1-CZ 3.64Å; I129-F160 HydrophobicContact CB-CE2 4.16Å; I129-F160 HydrophobicContact CB-CZ 3.98Å; I129-F160 HydrophobicContact CG2-CD1 4.15Å; I129-F160 HydrophobicContact CG2-CD2 3.93Å; I129-F160 HydrophobicContact CG2-CE1 3.95Å; I129-F160 HydrophobicContact CG2-CE2 3.72Å; I129-F160 HydrophobicContact CG2-CG 4.15Å; I129-F160 HydrophobicContact CG2-CZ 3.73Å; I129-F177 HydrophobicContact CG2-CE2 3.84Å; I129-F177 HydrophobicContact CG2-CZ 3.8Å; I129-C178 HydrophobicContact CG2-CB 4.24Å; I129-F207 HydrophobicContact CD1-CE2 4.12Å; I129-F207 HydrophobicContact CG1-CE2 3.86Å; I129-F207 HydrophobicContact CG1-CZ 4.24Å
130A93.1Very high89.7Confident8 Ų831.6 Ų31.67%0.06616%0.155CC..Hα-helixtrans-58.5-40.2175.700000112.3A87 K88 E126 Y127 C132 Q133 R134 F160A87-A130 HydrophobicContact CB-CB 4.22Å; K88-A130 HydrophobicContact CB-CB 3.74Å; K88-A130 HydrophobicContact CD-CB 4.37Å; E126-A130 WeakPolarHBondContact O-CB 3.36Å; E126-A130 PolarHBondContact O-N 2.85Å; Y127-A130 PolarHBondContact O-N 3.07Å; A130-C132 VanDerWaalsContact C-N 3.32Å; A130-C132 PolarHBondContact O-N 2.86Å; A130-Q133 WeakPolarHBondContact O-CB 3.34Å; A130-Q133 PolarHBondContact O-N 2.78Å; A130-R134 PolarHBondContact O-N 3.13Å; A130-F160 HydrophobicContact CB-CE1 3.9Å; A130-F160 HydrophobicContact CB-CZ 4.38Å
131L92.3Very high89.9Confident5 Ų531.6 Ų31.63%0.02615%0.149CC..Hα-helixtrans-66.7-31.7173.9-178.762.2000112.3A87 L105 Y127 I129 R134 H135A87-L131 HydrophobicContact CB-CB 4.11Å; A87-L131 HydrophobicContact CB-CD1 4.33Å; L105-L131 HydrophobicContact CB-CD2 3.89Å; L105-L131 VanDerWaalsContact O-CD2 3.26Å; L105-L131 WeakPolarHBondContact O-CD2 3.47Å; Y127-L131 HydrophobicContact CD1-CB 4.42Å; Y127-L131 HydrophobicContact CE1-CB 4.31Å; Y127-L131 HydrophobicContact CE1-CD2 4.29Å; Y127-L131 WeakPolarHBondContact O-CB 3.44Å; Y127-L131 PolarHBondContact O-N 3.17Å; I129-L131 VanDerWaalsContact C-N 3.27Å; I129-L131 PolarHBondContact O-N 3.43Å; L131-R134 VanDerWaalsContact CD1-CZ 3.45Å; L131-H135 WeakPolarHBondContact CD1-NE2 3.28Å; L131-H135 PolarHBondContact O-CD2 3.48Å; L131-H135 PolarHBondContact O-N 2.88Å
132C89.4Confident90Very high0 Ų030.5 Ų30.50%015%0.145CC..Hα-helixtrans-66.3-44.9171.1-94.40000111.4A128 I129 A130 H135 N136 T137 A139 K205A128-C132 PolarHBondContact O-N 3.18Å; I129-C132 WeakPolarHBondContact O-CA 3.46Å; I129-C132 VanDerWaalsContact O-CB 3.28Å; I129-C132 WeakPolarHBondContact O-CB 3.47Å; I129-C132 PolarHBondContact O-N 3.04Å; A130-C132 VanDerWaalsContact C-N 3.32Å; A130-C132 PolarHBondContact O-N 2.86Å; C132-H135 CarbonylContact O-C 3.49Å; C132-H135 PolarHBondContact O-N 3.09Å; C132-N136 PolarHBondContact O-N 3.33Å; C132-N136 VanDerWaalsContact O-N 3.12Å; C132-T137 CarbonylContact C-O 3.56Å; C132-T137 VanDerWaalsContact CA-OG1 3.28Å; C132-T137 WeakPolarHBondContact CA-OG1 3.31Å; C132-T137 WeakPolarHBondContact CB-O 3.21Å; C132-T137 PolarHBondContact O-N 3.43Å; C132-T137 PolarHBondContact O-OG1 3.17Å; C132-T137 VanDerWaalsContact O-OG1 3.05Å; C132-T137 PolarHBondContact SG-OG1 3.42Å; C132-T137 VanDerWaalsContact SG-OG1 3.36Å; C132-A139 HydrophobicContact CB-CB 4.06Å; C132-K205 WeakPolarHBondContact SG-CD 3.22Å; C132-K205 WeakPolarHBondContact SG-CE 3.41Å; C132-K205 PolarHBondContact SG-NZ 3.47Å
133Q89.9Confident89.8Confident75 Ų7528.7 Ų28.735%0.3513%0.134SC..Hα-helixtrans-58.7-46.9175.1-163.7179.91.600111.6I129 A130 H135 N136 F177I129-Q133 PolarHBondContact O-N 3Å; A130-Q133 WeakPolarHBondContact O-CB 3.34Å; A130-Q133 PolarHBondContact O-N 2.78Å; Q133-H135 PolarHBondContact O-N 2.94Å; Q133-H135 VanDerWaalsContact O-N 3.13Å; Q133-N136 PolarHBondContact O-N 3.14Å; Q133-N136 PolarHBondContact O-OD1 3.44Å; Q133-F177 HydrophobicContact CB-CD2 4.33Å; Q133-F177 HydrophobicContact CB-CE2 3.68Å; Q133-F177 HydrophobicContact CB-CZ 3.88Å; Q133-F177 HydrophobicContact CG-CE1 4.39Å; Q133-F177 HydrophobicContact CG-CE2 4.22Å; Q133-F177 HydrophobicContact CG-CZ 4.05Å
134R90.5Very high89Confident105 Ų10529.5 Ų29.540%0.39614%0.14SC..Hα-helixtrans-58.7-25.3177.2-160.8-173.174.4-164.1-3.4113.7T85 E106 A130 L131T85-R134 PolarHBondContact O-NH1 3.48Å; E106-R134 IonicContact OE1-CZ 3.58Å; E106-R134 IonicContact OE1-NH1 2.74Å; E106-R134 PolarHBondContact OE1-NH1 3.01Å; E106-R134 IonicContact OE1-NH2 3.54Å; E106-R134 IonicContact OE2-CZ 3.46Å; E106-R134 IonicContact OE2-NH1 3.48Å; E106-R134 PolarHBondContact OE2-NH1 2.96Å; E106-R134 IonicContact OE2-NH2 2.68Å; E106-R134 PolarHBondContact OE2-NH2 2.89Å; A130-R134 PolarHBondContact O-N 3.13Å; L131-R134 VanDerWaalsContact CD1-CZ 3.45Å
135H89.5Confident88.3Confident107 Ų10732.7 Ų32.750%0.49516%0.159SC..THydrogen-bonded Turntrans-106.49.6178.9-69.6-62.2000113.8L131 C132 Q133 T137L131-H135 WeakPolarHBondContact CD1-NE2 3.28Å; L131-H135 PolarHBondContact O-CD2 3.48Å; L131-H135 PolarHBondContact O-N 2.88Å; C132-H135 CarbonylContact O-C 3.49Å; C132-H135 PolarHBondContact O-N 3.09Å; Q133-H135 PolarHBondContact O-N 2.94Å; Q133-H135 VanDerWaalsContact O-N 3.13Å; H135-T137 VanDerWaalsContact C-N 3.25Å; H135-T137 HydrophobicContact CB-CG2 4.32Å; H135-T137 PolarHBondContact O-N 3.05Å
136N87.1Confident87.9Confident154 Ų15435.6 Ų35.682%0.82417%0.172SC*.THydrogen-bonded Turntrans5339.1-175.9-63.6-28.7000113.7C132 Q133C132-N136 PolarHBondContact O-N 3.33Å; C132-N136 VanDerWaalsContact O-N 3.12Å; Q133-N136 PolarHBondContact O-N 3.14Å; Q133-N136 PolarHBondContact O-OD1 3.44Å
137T85.8Confident87.2Confident15 Ų1535.9 Ų35.99%0.09218%0.178CC..  trans-114.5148.6-179.153.20000111.4C132 H135 H203C132-T137 CarbonylContact C-O 3.56Å; C132-T137 VanDerWaalsContact CA-OG1 3.28Å; C132-T137 WeakPolarHBondContact CA-OG1 3.31Å; C132-T137 WeakPolarHBondContact CB-O 3.21Å; C132-T137 PolarHBondContact O-N 3.43Å; C132-T137 PolarHBondContact O-OG1 3.17Å; C132-T137 VanDerWaalsContact O-OG1 3.05Å; C132-T137 PolarHBondContact SG-OG1 3.42Å; C132-T137 VanDerWaalsContact SG-OG1 3.36Å; H135-T137 VanDerWaalsContact C-N 3.25Å; H135-T137 HydrophobicContact CB-CG2 4.32Å; H135-T137 PolarHBondContact O-N 3.05Å; T137-H203 HydrophobicContact CG2-CB 3.85Å
138R86Confident86.6Confident71 Ų7136.3 Ų36.327%0.26818%0.181SC..  trans-77.8143.3178.6-63.3-172160.6174.9-8.9112D175 F177 V202 V204R138-D175 PolarHBondContact NH2-O 2.97Å; R138-F177 CarbonylContact C-O 3.44Å; R138-F177 WeakPolarHBondContact CA-O 3.4Å; R138-V202 HydrophobicContact CB-CG1 3.92Å; R138-V202 HydrophobicContact CG-CG1 4.42Å; R138-V204 WeakPolarHBondContact O-CA 3.36Å
139A88.4Confident86.4Confident0 Ų036.3 Ų36.30%018%0.181CC..EExtended strand (participates in β ladder)trans-117.4146.8172.500000110.5I129 C132 F177 L179I129-A139 HydrophobicContact CG1-CB 4.21Å; C132-A139 HydrophobicContact CB-CB 4.06Å; A139-F177 PolarHBondContact N-O 3.26Å; A139-L179 PolarHBondContact O-N 2.9Å
140V90.1Very high86.2Confident1 Ų136.8 Ų36.81%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-130.1103.2178.2178.30000110.4T142 L179 M181 L186 V204 K205 F206V140-T142 PolarHBondContact O-N 3.06Å; V140-L179 CarbonylContact C-O 3.53Å; V140-L179 VanDerWaalsContact CA-O 3.3Å; V140-L179 WeakPolarHBondContact CA-O 3.3Å; V140-L179 HydrophobicContact CG2-CB 4.43Å; V140-M181 HydrophobicContact CG1-CE 3.79Å; V140-M181 HydrophobicContact CG1-CG 3.85Å; V140-M181 HydrophobicContact CG1-SD 3.69Å; V140-L186 HydrophobicContact CG1-CD1 4.35Å; V140-V204 HydrophobicContact CB-CG1 3.64Å; V140-V204 HydrophobicContact CG2-CG1 3.55Å; V140-K205 CarbonylContact C-O 3.54Å; V140-K205 PolarHBondContact N-O 3.07Å; V140-K205 VanDerWaalsContact O-O 3.08Å; V140-F206 HydrophobicContact CB-CD1 4.01Å; V140-F206 HydrophobicContact CB-CE1 3.61Å; V140-F206 HydrophobicContact CB-CZ 4.38Å; V140-F206 HydrophobicContact CG1-CD1 4.05Å; V140-F206 HydrophobicContact CG1-CE1 3.59Å; V140-F206 HydrophobicContact CG2-CE1 4.38Å; V140-F206 WeakPolarHBondContact O-CA 3.47Å
141Y89.9Confident85.8Confident19 Ų1936.5 Ų36.58%0.07518%0.18CC..EExtended strand (participates in β ladder)trans-82.5115.8173.5-169-77.8000110.5A125 K152 F156 L179 I180 M181 F207A125-Y141 HydrophobicContact CB-CD2 4.44Å; A125-Y141 HydrophobicContact CB-CE2 4.11Å; Y141-K152 HydrophobicContact CD1-CB 4.44Å; Y141-K152 HydrophobicContact CD1-CG 4.46Å; Y141-K152 HydrophobicContact CE1-CB 4.18Å; Y141-K152 HydrophobicContact CE1-CD 4.1Å; Y141-K152 HydrophobicContact CE1-CG 3.74Å; Y141-K152 HydrophobicContact CE2-CD 4.33Å; Y141-F156 AromaticContact CD2-CE2 3.52Å; Y141-F156 HydrophobicContact CD2-CE2 3.52Å; Y141-F156 AromaticContact CD2-CZ 3.81Å; Y141-F156 HydrophobicContact CD2-CZ 3.81Å; Y141-F156 HydrophobicContact CE2-CE2 4.05Å; Y141-F156 AromaticContact CE2-CZ 3.94Å; Y141-F156 HydrophobicContact CE2-CZ 3.94Å; Y141-F156 AromaticContact CG-CE2 3.83Å; Y141-F156 HydrophobicContact CG-CE2 3.83Å; Y141-L179 PolarHBondContact N-O 2.75Å; Y141-I180 HydrophobicContact CD1-CG2 4.18Å; Y141-I180 CarbonylContact O-C 3.6Å; Y141-I180 VanDerWaalsContact O-CA 3.32Å; Y141-I180 WeakPolarHBondContact O-CA 3.36Å; Y141-M181 PolarHBondContact O-N 2.95Å; Y141-F207 HydrophobicContact CD2-CB 3.64Å; Y141-F207 AromaticContact CD2-CD2 3.34Å; Y141-F207 HydrophobicContact CD2-CD2 3.34Å; Y141-F207 HydrophobicContact CD2-CE2 4.19Å; Y141-F207 AromaticContact CD2-CG 3.64Å; Y141-F207 HydrophobicContact CD2-CG 3.64Å; Y141-F207 HydrophobicContact CE2-CB 3.77Å; Y141-F207 HydrophobicContact CE2-CD2 4.15Å; Y141-F207 AromaticContact CE2-CG 4Å; Y141-F207 HydrophobicContact CE2-CG 4Å; Y141-F207 HydrophobicContact CG-CB 4.22Å; Y141-F207 AromaticContact CG-CD2 3.99Å; Y141-F207 HydrophobicContact CG-CD2 3.99Å; Y141-F207 HydrophobicContact CG-CG 4.46Å
142T88.4Confident85.6Confident9 Ų936.8 Ų36.86%0.05518%0.181CC..EExtended strand (participates in β ladder)trans-95.1144.717233.60000111.7V140 M181 T183 L186 F207V140-T142 PolarHBondContact O-N 3.06Å; T142-M181 CarbonylContact C-O 3.54Å; T142-M181 WeakPolarHBondContact CA-O 3.47Å; T142-M181 HydrophobicContact CG2-CG 4.07Å; T142-T183 HydrophobicContact CG2-CG2 4.04Å; T142-L186 HydrophobicContact CG2-CB 4.02Å; T142-L186 HydrophobicContact CG2-CD2 3.5Å; T142-L186 HydrophobicContact CG2-CG 4.37Å; T142-F207 VanDerWaalsContact O-O 3.05Å; T142-F207 PolarHBondContact OG1-O 3.13Å; T142-F207 VanDerWaalsContact OG1-O 3.08Å
143S81.9Confident85.7Confident1 Ų137.3 Ų37.31%0.00718%0.184CC..EExtended strand (participates in β ladder)trans-133.9153169.5113.40000111.3V145 S149 M181 T182 T183S143-V145 VanDerWaalsContact C-N 3.31Å; S143-V145 PolarHBondContact O-N 3.49Å; S143-V145 PolarHBondContact OG-N 3.34Å; S143-V145 PolarHBondContact OG-O 3.33Å; S143-S149 WeakPolarHBondContact CB-OG 3.45Å; S143-S149 PolarHBondContact OG-N 2.96Å; S143-S149 PolarHBondContact OG-OG 3.48Å; S143-M181 PolarHBondContact N-O 2.94Å; S143-T182 VanDerWaalsContact O-CA 3.3Å; S143-T182 WeakPolarHBondContact O-CA 3.46Å; S143-T183 PolarHBondContact O-N 3.02Å
144P74.2Confident85.7Confident25 Ų2537.6 Ų37.616%0.16218%0.181CC..SBendtrans-77.8-9.3-178.532.1-38.9000114.4Q209 W214P144-Q209 HydrophobicContact CG-CB 4.37Å; P144-Q209 HydrophobicContact CG-CG 4.04Å; P144-W214 HydrophobicContact CB-CZ2 3.38Å
145V76.7Confident85.7Confident66 Ų6634.5 Ų34.540%0.417%0.173SC..SBendtrans-148.8131.7-171.8-1770000110.2S143 A147 L148 S149S143-V145 VanDerWaalsContact C-N 3.31Å; S143-V145 PolarHBondContact O-N 3.49Å; S143-V145 PolarHBondContact OG-N 3.34Å; S143-V145 PolarHBondContact OG-O 3.33Å; V145-A147 VanDerWaalsContact C-N 3.27Å; V145-A147 HydrophobicContact CG1-CB 4.29Å; V145-A147 PolarHBondContact O-N 3.45Å; V145-A147 VanDerWaalsContact O-N 3.12Å; V145-L148 PolarHBondContact O-N 2.84Å; V145-S149 PolarHBondContact O-N 2.99Å
146K81.7Confident85.8Confident62 Ų6229.4 Ų29.427%0.2715%0.149SC..Hα-helixtrans-46.1-46179.4-61.4-176-178.7-168.90113.5L148 S149 N150 D169 T182 E710K146-L148 VanDerWaalsContact C-N 3.32Å; K146-L148 PolarHBondContact O-N 2.76Å; K146-S149 WeakPolarHBondContact O-CA 3.3Å; K146-S149 WeakPolarHBondContact O-CB 3.47Å; K146-S149 PolarHBondContact O-N 2.73Å; K146-N150 PolarHBondContact O-N 3.26Å; K146-N150 PolarHBondContact O-OD1 2.99Å; K146-N150 VanDerWaalsContact O-OD1 3.08Å; K146-D169 VanDerWaalsContact CD-OD1 3.29Å; K146-D169 WeakPolarHBondContact CD-OD1 3.49Å; K146-D169 VanDerWaalsContact CE-OD1 3.23Å; K146-D169 WeakPolarHBondContact CE-OD1 3.18Å; K146-D169 IonicContact NZ-OD1 3.28Å; K146-D169 PolarHBondContact NZ-OD1 3.23Å; K146-T182 HydrophobicContact CG-CG2 4.07Å; K146-E710 IonicContact NZ-OE1 3.68Å; K146-E710 PolarHBondContact NZ-OE1 2.88Å
147A77.8Confident86Confident30 Ų3026.4 Ų26.425%0.24813%0.129CC..Hα-helixtrans-56.9-39.4177.700000113.8V145 N150 Q151V145-A147 VanDerWaalsContact C-N 3.27Å; V145-A147 HydrophobicContact CG1-CB 4.29Å; V145-A147 PolarHBondContact O-N 3.45Å; V145-A147 VanDerWaalsContact O-N 3.12Å; A147-N150 PolarHBondContact O-N 2.94Å; A147-Q151 PolarHBondContact O-N 3.2Å
148L82.1Confident86.2Confident9 Ų931.7 Ų31.75%0.04716%0.157CC..Hα-helixtrans-72.3-34.4176.1-172.952.7000111.7V145 K146 K152 G440V145-L148 PolarHBondContact O-N 2.84Å; K146-L148 VanDerWaalsContact C-N 3.32Å; K146-L148 PolarHBondContact O-N 2.76Å; L148-K152 HydrophobicContact CD1-CG 4.23Å; L148-K152 HydrophobicContact CG-CG 4.49Å; L148-K152 VanDerWaalsContact O-CB 3.26Å; L148-K152 WeakPolarHBondContact O-CB 3.19Å; L148-K152 VanDerWaalsContact O-CG 3.25Å; L148-K152 WeakPolarHBondContact O-CG 3.3Å; L148-K152 PolarHBondContact O-N 2.93Å; L148-G440 WeakPolarHBondContact CB-O 3.49Å
149S87.9Confident86.4Confident0 Ų032 Ų320%016%0.162CC..Hα-helixtrans-63.8-41.7171.8-61.70000111.3S143 V145 K146 K152 F153 M181S143-S149 WeakPolarHBondContact CB-OG 3.45Å; S143-S149 PolarHBondContact OG-N 2.96Å; S143-S149 PolarHBondContact OG-OG 3.48Å; V145-S149 PolarHBondContact O-N 2.99Å; K146-S149 WeakPolarHBondContact O-CA 3.3Å; K146-S149 WeakPolarHBondContact O-CB 3.47Å; K146-S149 PolarHBondContact O-N 2.73Å; S149-K152 PolarHBondContact O-N 2.85Å; S149-F153 WeakPolarHBondContact O-CB 3.38Å; S149-F153 PolarHBondContact O-N 2.73Å; S149-M181 PolarHBondContact OG-O 3.12Å
150N88Confident86.5Confident10 Ų1032.6 Ų32.65%0.05317%0.165CC..Hα-helixtrans-66-46.2176-61.67000111.1K146 A147 K152 F153 R154 S747K146-N150 PolarHBondContact O-N 3.26Å; K146-N150 PolarHBondContact O-OD1 2.99Å; K146-N150 VanDerWaalsContact O-OD1 3.08Å; A147-N150 PolarHBondContact O-N 2.94Å; N150-K152 VanDerWaalsContact C-N 3.31Å; N150-K152 PolarHBondContact O-N 2.95Å; N150-F153 WeakPolarHBondContact O-CB 3.15Å; N150-F153 PolarHBondContact O-N 3.11Å; N150-R154 PolarHBondContact O-N 2.87Å; N150-R154 VanDerWaalsContact O-N 3.09Å; N150-S747 VanDerWaalsContact ND2-CB 3.34Å; N150-S747 WeakPolarHBondContact ND2-CB 3.41Å; N150-S747 PolarHBondContact ND2-OG 3.48Å
151Q85Confident86.3Confident3 Ų338.8 Ų38.81%0.01420%0.203CC..Hα-helixtrans-57.1-45.6173.3-174.5-178.98.900111A147 F153 R154 D155 Q424 Y749A147-Q151 PolarHBondContact O-N 3.2Å; Q151-F153 VanDerWaalsContact C-N 3.33Å; Q151-F153 PolarHBondContact O-N 3.22Å; Q151-R154 PolarHBondContact O-N 2.83Å; Q151-D155 VanDerWaalsContact O-CG 3.27Å; Q151-D155 PolarHBondContact O-N 3.1Å; Q151-Q424 VanDerWaalsContact NE2-NE2 3.11Å; Q151-Y749 HydrophobicContact CB-CD1 4.41Å; Q151-Y749 HydrophobicContact CB-CE1 4.36Å; Q151-Y749 HydrophobicContact CG-CE1 4.17Å
152K87.4Confident86.3Confident10 Ų1040.4 Ų40.44%0.04321%0.212CC..Hα-helixtrans-67.7-31.5179.9-76.3-75.7150.4-135.10113.2Y141 L148 S149 N150 D155 F156 I180Y141-K152 HydrophobicContact CD1-CB 4.44Å; Y141-K152 HydrophobicContact CD1-CG 4.46Å; Y141-K152 HydrophobicContact CE1-CB 4.18Å; Y141-K152 HydrophobicContact CE1-CD 4.1Å; Y141-K152 HydrophobicContact CE1-CG 3.74Å; Y141-K152 HydrophobicContact CE2-CD 4.33Å; L148-K152 HydrophobicContact CD1-CG 4.23Å; L148-K152 HydrophobicContact CG-CG 4.49Å; L148-K152 VanDerWaalsContact O-CB 3.26Å; L148-K152 WeakPolarHBondContact O-CB 3.19Å; L148-K152 VanDerWaalsContact O-CG 3.25Å; L148-K152 WeakPolarHBondContact O-CG 3.3Å; L148-K152 PolarHBondContact O-N 2.93Å; S149-K152 PolarHBondContact O-N 2.85Å; N150-K152 VanDerWaalsContact C-N 3.31Å; N150-K152 PolarHBondContact O-N 2.95Å; K152-D155 IonicContact NZ-OD2 3.27Å; K152-D155 PolarHBondContact NZ-OD2 2.87Å; K152-D155 PolarHBondContact O-N 3.15Å; K152-F156 HydrophobicContact CD-CE1 4.37Å; K152-F156 HydrophobicContact CD-CE2 4.36Å; K152-F156 HydrophobicContact CD-CZ 4.02Å; K152-F156 WeakPolarHBondContact O-CB 3.44Å; K152-F156 WeakPolarHBondContact O-CG 3.48Å; K152-F156 PolarHBondContact O-N 2.74Å; K152-I180 HydrophobicContact CB-CD1 4.34Å; K152-I180 HydrophobicContact CB-CG2 4.36Å; K152-I180 WeakPolarHBondContact O-CD1 3.4Å
153F91.6Very high86.6Confident11 Ų1140.5 Ų40.55%0.04821%0.213CC..Hα-helixtrans-61.6-49170.6179.9-109.1000111.3S149 N150 Q151 D155 F156 K157 V163 L165 L172 I180S149-F153 WeakPolarHBondContact O-CB 3.38Å; S149-F153 PolarHBondContact O-N 2.73Å; N150-F153 WeakPolarHBondContact O-CB 3.15Å; N150-F153 PolarHBondContact O-N 3.11Å; Q151-F153 VanDerWaalsContact C-N 3.33Å; Q151-F153 PolarHBondContact O-N 3.22Å; F153-D155 PolarHBondContact O-N 3.39Å; F153-F156 PolarHBondContact O-N 3.1Å; F153-K157 HydrophobicContact CD1-CD 4.49Å; F153-K157 HydrophobicContact CE1-CD 3.93Å; F153-K157 HydrophobicContact CZ-CD 4.11Å; F153-K157 WeakPolarHBondContact O-CB 3.4Å; F153-K157 PolarHBondContact O-N 2.7Å; F153-V163 HydrophobicContact CD2-CG1 3.89Å; F153-V163 HydrophobicContact CE2-CB 4.48Å; F153-V163 HydrophobicContact CE2-CG1 4.2Å; F153-L165 HydrophobicContact CB-CB 4.43Å; F153-L165 HydrophobicContact CB-CD1 4.33Å; F153-L165 HydrophobicContact CB-CD2 4.26Å; F153-L165 HydrophobicContact CD1-CD2 4.21Å; F153-L165 HydrophobicContact CD2-CB 3.67Å; F153-L165 HydrophobicContact CE2-CB 3.96Å; F153-L165 HydrophobicContact CG-CB 3.96Å; F153-L165 HydrophobicContact CG-CD2 4.15Å; F153-L165 HydrophobicContact CZ-CB 4.48Å; F153-L172 HydrophobicContact CE1-CD1 4.11Å; F153-L172 HydrophobicContact CZ-CD1 4.11Å; F153-I180 HydrophobicContact CB-CD1 3.99Å; F153-I180 HydrophobicContact CD2-CD1 4.37Å
154R89.8Confident87.1Confident81 Ų8140.4 Ų40.431%0.30621%0.213SC..Hα-helixtrans-59.6-47.1173.3-162.3176.2178.6-179.3-0.4112.4N150 Q151 F156 N158 Y749N150-R154 PolarHBondContact O-N 2.87Å; N150-R154 VanDerWaalsContact O-N 3.09Å; Q151-R154 PolarHBondContact O-N 2.83Å; R154-F156 VanDerWaalsContact C-N 3.34Å; R154-F156 PolarHBondContact O-N 2.8Å; R154-N158 VanDerWaalsContact O-CG 3.27Å; R154-N158 PolarHBondContact O-N 2.88Å; R154-N158 PolarHBondContact O-ND2 2.71Å; R154-Y749 HydrophobicContact CB-CD1 4.24Å; R154-Y749 WeakPolarHBondContact CB-O 3.15Å
155D89.5Confident87.9Confident40 Ų4039.2 Ų39.221%0.21421%0.205CC..Hα-helixtrans-58.2-44.8179.8-69.1-17.1000111.5Q151 K152 F153 M159Q151-D155 VanDerWaalsContact O-CG 3.27Å; Q151-D155 PolarHBondContact O-N 3.1Å; K152-D155 IonicContact NZ-OD2 3.27Å; K152-D155 PolarHBondContact NZ-OD2 2.87Å; K152-D155 PolarHBondContact O-N 3.15Å; F153-D155 PolarHBondContact O-N 3.39Å; D155-M159 WeakPolarHBondContact O-CG 3.35Å
156F91.5Very high88.5Confident0 Ų036.1 Ų36.10%019%0.186CC..Hα-helixtrans-84.1-32.3-176.5-66.2-17.1000114A125 E126 I129 Y141 K152 F153 R154 N158 M159 F160 V163 I180A125-F156 HydrophobicContact CB-CZ 4.49Å; E126-F156 HydrophobicContact CG-CE1 4.03Å; I129-F156 HydrophobicContact CD1-CD2 3.85Å; I129-F156 HydrophobicContact CD1-CE1 4.28Å; I129-F156 HydrophobicContact CD1-CE2 3.4Å; I129-F156 HydrophobicContact CD1-CG 4.48Å; I129-F156 HydrophobicContact CD1-CZ 3.64Å; Y141-F156 AromaticContact CD2-CE2 3.52Å; Y141-F156 HydrophobicContact CD2-CE2 3.52Å; Y141-F156 AromaticContact CD2-CZ 3.81Å; Y141-F156 HydrophobicContact CD2-CZ 3.81Å; Y141-F156 HydrophobicContact CE2-CE2 4.05Å; Y141-F156 AromaticContact CE2-CZ 3.94Å; Y141-F156 HydrophobicContact CE2-CZ 3.94Å; Y141-F156 AromaticContact CG-CE2 3.83Å; Y141-F156 HydrophobicContact CG-CE2 3.83Å; K152-F156 HydrophobicContact CD-CE1 4.37Å; K152-F156 HydrophobicContact CD-CE2 4.36Å; K152-F156 HydrophobicContact CD-CZ 4.02Å; K152-F156 WeakPolarHBondContact O-CB 3.44Å; K152-F156 WeakPolarHBondContact O-CG 3.48Å; K152-F156 PolarHBondContact O-N 2.74Å; F153-F156 PolarHBondContact O-N 3.1Å; R154-F156 VanDerWaalsContact C-N 3.34Å; R154-F156 PolarHBondContact O-N 2.8Å; F156-N158 PolarHBondContact O-N 2.79Å; F156-M159 HydrophobicContact CD1-SD 4.35Å; F156-M159 CarbonylContact O-C 3.55Å; F156-M159 PolarHBondContact O-N 3.26Å; F156-F160 HydrophobicContact CB-CD2 4.12Å; F156-F160 HydrophobicContact CD1-CE2 4.27Å; F156-F160 HydrophobicContact CG-CD2 4.45Å; F156-F160 PolarHBondContact O-N 2.91Å; F156-V163 HydrophobicContact CB-CG1 4.23Å; F156-V163 HydrophobicContact CB-CG2 4.26Å; F156-I180 HydrophobicContact CB-CD1 4.3Å; F156-I180 HydrophobicContact CD2-CD1 3.66Å; F156-I180 HydrophobicContact CD2-CG1 4.26Å; F156-I180 HydrophobicContact CE2-CD1 4.45Å; F156-I180 HydrophobicContact CG-CD1 4.4Å
157K91.8Very high88.6Confident91 Ų9133.2 Ų33.240%0.39617%0.173SC..Hα-helixtrans-59-27.1170.8-176.1-174-177.1-170.40111.9F153 I750 E751F153-K157 HydrophobicContact CD1-CD 4.49Å; F153-K157 HydrophobicContact CE1-CD 3.93Å; F153-K157 HydrophobicContact CZ-CD 4.11Å; F153-K157 WeakPolarHBondContact O-CB 3.4Å; F153-K157 PolarHBondContact O-N 2.7Å; K157-I750 PolarHBondContact NZ-O 3.18Å; K157-E751 PolarHBondContact NZ-O 2.95Å
158N89.8Confident88.4Confident127 Ų12732.5 Ų32.568%0.67917%0.169SC*.THydrogen-bonded Turntrans-83.5-8172.3-68.1-30.4000114.4R154 F156R154-N158 VanDerWaalsContact O-CG 3.27Å; R154-N158 PolarHBondContact O-N 2.88Å; R154-N158 PolarHBondContact O-ND2 2.71Å; F156-N158 PolarHBondContact O-N 2.79Å
159M89.9Confident88Confident76 Ų7634.7 Ų34.737%0.37418%0.181SC..THydrogen-bonded Turntrans-118.8-23.6-175.5-68.2-176.3-163.300114.4E126 D155 F156E126-M159 HydrophobicContact CG-SD 3.85Å; D155-M159 WeakPolarHBondContact O-CG 3.35Å; F156-M159 HydrophobicContact CD1-SD 4.35Å; F156-M159 CarbonylContact O-C 3.55Å; F156-M159 PolarHBondContact O-N 3.26Å
160F90.8Very high87.6Confident13 Ų1336.8 Ų36.86%0.05719%0.194CC..  trans-139.7140.9-173.7-55.6-74.5000108.8K88 E126 I129 A130 F156 V163 F177K88-F160 HydrophobicContact CD-CZ 4.48Å; E126-F160 WeakPolarHBondContact O-CZ 3.34Å; I129-F160 HydrophobicContact CB-CE2 4.16Å; I129-F160 HydrophobicContact CB-CZ 3.98Å; I129-F160 HydrophobicContact CG2-CD1 4.15Å; I129-F160 HydrophobicContact CG2-CD2 3.93Å; I129-F160 HydrophobicContact CG2-CE1 3.95Å; I129-F160 HydrophobicContact CG2-CE2 3.72Å; I129-F160 HydrophobicContact CG2-CG 4.15Å; I129-F160 HydrophobicContact CG2-CZ 3.73Å; A130-F160 HydrophobicContact CB-CE1 3.9Å; A130-F160 HydrophobicContact CB-CZ 4.38Å; F156-F160 HydrophobicContact CB-CD2 4.12Å; F156-F160 HydrophobicContact CD1-CE2 4.27Å; F156-F160 HydrophobicContact CG-CD2 4.45Å; F156-F160 PolarHBondContact O-N 2.91Å; F160-V163 HydrophobicContact CB-CG2 3.89Å; F160-F177 HydrophobicContact CB-CE1 4.31Å; F160-F177 HydrophobicContact CB-CZ 4.32Å; F160-F177 HydrophobicContact CD1-CZ 4.38Å; F160-F177 HydrophobicContact CG-CZ 4.45Å
161T86.6Confident87.5Confident132 Ų13242 Ų4281%0.8122%0.218SC*.SBendtrans-73.4-28.5-170.748.60000114.5
162D90.8Very high87.8Confident52 Ų5244.8 Ų44.828%0.27823%0.232SC..  trans-128.895.3-171172.442.8000110.1N173 A176 F177D162-N173 PolarHBondContact OD1-ND2 2.98Å; D162-A176 WeakPolarHBondContact OD1-CA 3.36Å; D162-A176 VanDerWaalsContact OD1-CB 3.27Å; D162-A176 WeakPolarHBondContact OD1-CB 3.27Å; D162-A176 WeakPolarHBondContact OD2-CA 3.45Å; D162-F177 HydrophobicContact CB-CD1 3.93Å; D162-F177 HydrophobicContact CB-CE1 4.38Å; D162-F177 WeakPolarHBondContact O-CD1 3.35Å; D162-F177 WeakPolarHBondContact O-CE1 3.32Å; D162-F177 PolarHBondContact OD2-N 2.77Å
163V92.8Very high87.8Confident11 Ų1148.2 Ų48.27%0.06725%0.251CS..EExtended strand (participates in β ladder)trans-131.6138.4-177-174.30000108.8F153 F156 F160 N173 C178 I180F153-V163 HydrophobicContact CD2-CG1 3.89Å; F153-V163 HydrophobicContact CE2-CB 4.48Å; F153-V163 HydrophobicContact CE2-CG1 4.2Å; F156-V163 HydrophobicContact CB-CG1 4.23Å; F156-V163 HydrophobicContact CB-CG2 4.26Å; F160-V163 HydrophobicContact CB-CG2 3.89Å; V163-N173 PolarHBondContact O-ND2 3.15Å; V163-C178 WeakPolarHBondContact CA-O 3.38Å; V163-C178 HydrophobicContact CG2-CB 4.39Å; V163-I180 HydrophobicContact CG1-CD1 3.75Å; V163-I180 HydrophobicContact CG1-CG1 4.12Å
164G92.6Very high87.6Confident0 Ų050.5 Ų50.50%027%0.266CS..EExtended strand (participates in β ladder)trans-118.2159.1175.500000112.9L172 N173 C178 I180G164-L172 CarbonylContact C-O 3.49Å; G164-L172 WeakPolarHBondContact CA-O 3.31Å; G164-N173 WeakPolarHBondContact CA-O 3.38Å; G164-C178 PolarHBondContact N-O 2.74Å; G164-I180 PolarHBondContact O-N 2.68Å
165L92.3Very high87.4Confident0 Ų052 Ų520%028%0.28CS..EExtended strand (participates in β ladder)trans-129.8126.4176.8177.563.3000109.2F153 T167 Q171 L172 I180 I750F153-L165 HydrophobicContact CB-CB 4.43Å; F153-L165 HydrophobicContact CB-CD1 4.33Å; F153-L165 HydrophobicContact CB-CD2 4.26Å; F153-L165 HydrophobicContact CD1-CD2 4.21Å; F153-L165 HydrophobicContact CD2-CB 3.67Å; F153-L165 HydrophobicContact CE2-CB 3.96Å; F153-L165 HydrophobicContact CG-CB 3.96Å; F153-L165 HydrophobicContact CG-CD2 4.15Å; F153-L165 HydrophobicContact CZ-CB 4.48Å; L165-T167 HydrophobicContact CD1-CG2 3.89Å; L165-T167 HydrophobicContact CG-CG2 4.18Å; L165-Q171 CarbonylContact O-C 3.52Å; L165-Q171 WeakPolarHBondContact O-CA 3.11Å; L165-L172 HydrophobicContact CB-CB 4.4Å; L165-L172 HydrophobicContact CB-CD1 4.42Å; L165-L172 HydrophobicContact CD2-CD1 4.39Å; L165-L172 PolarHBondContact N-O 3.35Å; L165-L172 PolarHBondContact O-N 2.89Å; L165-I180 CarbonylContact C-O 2.89Å; L165-I180 WeakPolarHBondContact CA-O 3.46Å; L165-I180 HydrophobicContact CD1-CB 4.33Å; L165-I180 HydrophobicContact CD1-CG2 4.3Å; L165-I750 HydrophobicContact CD2-CD1 3.71Å; L165-I750 HydrophobicContact CD2-CG1 3.83Å
166V88.8Confident87.3Confident0 Ų050.1 Ų50.10%027%0.27CS..EExtended strand (participates in β ladder)trans-131.797.6-178.6-161.60000109.4Q171 T174 L179 I180 M181 I185 F189V166-Q171 HydrophobicContact CG1-CG 4.08Å; V166-T174 HydrophobicContact CG2-CG2 4.39Å; V166-L179 HydrophobicContact CG2-CD2 4.36Å; V166-I180 PolarHBondContact N-O 2.8Å; V166-M181 HydrophobicContact CB-CB 4.19Å; V166-M181 HydrophobicContact CG2-CE 4.48Å; V166-M181 VanDerWaalsContact O-CA 3.25Å; V166-M181 WeakPolarHBondContact O-CA 3.46Å; V166-M181 WeakPolarHBondContact O-CB 3.5Å; V166-I185 HydrophobicContact CB-CG2 4.36Å; V166-I185 HydrophobicContact CG1-CG2 3.92Å; V166-F189 HydrophobicContact CG1-CE2 3.88Å; V166-F189 HydrophobicContact CG1-CZ 4.18Å
167T84.3Confident87.2Confident1 Ų151.4 Ų51.41%0.00628%0.276CS..  trans-110.9-179.5173.372.50000110.6L165 D169 V170L165-T167 HydrophobicContact CD1-CG2 3.89Å; L165-T167 HydrophobicContact CG-CG2 4.18Å; T167-D169 WeakPolarHBondContact CB-OD1 3.36Å; T167-D169 PolarHBondContact O-N 3.19Å; T167-D169 PolarHBondContact OG1-N 3.11Å; T167-D169 PolarHBondContact OG1-OD1 2.83Å; T167-V170 PolarHBondContact N-O 2.84Å; T167-V170 PolarHBondContact OG1-N 2.82Å; T167-V170 PolarHBondContact OG1-O 2.68Å
168G73.9Confident87.2Confident16 Ų1647.1 Ų47.117%0.16526%0.257CS..SBendtrans-66.8-21.7174.700000113.4R713G168-R713 PolarHBondContact O-NH1 2.92Å; G168-R713 PolarHBondContact O-NH2 3.01Å
169D72.1Confident87.2Confident55 Ų5541.2 Ų41.229%0.29423%0.226SC..SBendtrans-114-32.2-170.547.6-52.8000113K146 T167K146-D169 VanDerWaalsContact CD-OD1 3.29Å; K146-D169 WeakPolarHBondContact CD-OD1 3.49Å; K146-D169 VanDerWaalsContact CE-OD1 3.23Å; K146-D169 WeakPolarHBondContact CE-OD1 3.18Å; K146-D169 IonicContact NZ-OD1 3.28Å; K146-D169 PolarHBondContact NZ-OD1 3.23Å; T167-D169 WeakPolarHBondContact CB-OD1 3.36Å; T167-D169 PolarHBondContact O-N 3.19Å; T167-D169 PolarHBondContact OG1-N 3.11Å; T167-D169 PolarHBondContact OG1-OD1 2.83Å
170V80.7Confident87.3Confident43 Ų4337.6 Ų37.626%0.26121%0.208SC..  trans-129135.1-175.6-179.40000110.8T167 L172 I750T167-V170 PolarHBondContact N-O 2.84Å; T167-V170 PolarHBondContact OG1-N 2.82Å; T167-V170 PolarHBondContact OG1-O 2.68Å; V170-L172 HydrophobicContact CG1-CD1 3.89Å; V170-L172 HydrophobicContact CG1-CD2 4.3Å; V170-L172 HydrophobicContact CG1-CG 3.75Å; V170-I750 HydrophobicContact CG1-CD1 4.12Å; V170-I750 HydrophobicContact CG2-CD1 4.37Å
171Q86.4Confident87.2Confident120 Ų12037 Ų3756%0.56121%0.205SC*.EExtended strand (participates in β ladder)trans-129.6123.8172.6-60.5-171.9-10.700108.9L165 V166 T174L165-Q171 CarbonylContact O-C 3.52Å; L165-Q171 WeakPolarHBondContact O-CA 3.11Å; V166-Q171 HydrophobicContact CG1-CG 4.08Å; Q171-T174 HydrophobicContact CB-CG2 4.13Å
172L89.5Confident87.2Confident61 Ų6131 Ų3132%0.31917%0.169SC..EExtended strand (participates in β ladder)trans-137.1130.2-177.4-60.3170000108.9F153 G164 L165 V170 T174 I750F153-L172 HydrophobicContact CE1-CD1 4.11Å; F153-L172 HydrophobicContact CZ-CD1 4.11Å; G164-L172 CarbonylContact C-O 3.49Å; G164-L172 WeakPolarHBondContact CA-O 3.31Å; L165-L172 HydrophobicContact CB-CB 4.4Å; L165-L172 HydrophobicContact CB-CD1 4.42Å; L165-L172 HydrophobicContact CD2-CD1 4.39Å; L165-L172 PolarHBondContact N-O 3.35Å; L165-L172 PolarHBondContact O-N 2.89Å; V170-L172 HydrophobicContact CG1-CD1 3.89Å; V170-L172 HydrophobicContact CG1-CD2 4.3Å; V170-L172 HydrophobicContact CG1-CG 3.75Å; L172-T174 PolarHBondContact O-N 2.99Å; L172-I750 HydrophobicContact CD1-CG2 3.48Å; L172-I750 VanDerWaalsContact CD1-CG2 3.48Å
173N87.9Confident86.8Confident83 Ų8329 Ų2944%0.44416%0.158SC..  trans4659.1176.9-167.919.1000112.6D162 V163 G164 D175 A176D162-N173 PolarHBondContact OD1-ND2 2.98Å; V163-N173 PolarHBondContact O-ND2 3.15Å; G164-N173 WeakPolarHBondContact CA-O 3.38Å; N173-D175 PolarHBondContact O-N 2.8Å; N173-D175 VanDerWaalsContact O-N 3.12Å; N173-A176 WeakPolarHBondContact ND2-CB 3.11Å; N173-A176 VanDerWaalsContact O-CB 3.31Å; N173-A176 WeakPolarHBondContact O-CB 3.41Å; N173-A176 PolarHBondContact O-N 3.45Å
174T87.1Confident86.2Confident59 Ų5931.6 Ų31.636%0.36217%0.17SC..THydrogen-bonded Turntrans-62.9-16.6-173.4410000114.7V166 Q171 L172 L179V166-T174 HydrophobicContact CG2-CG2 4.39Å; Q171-T174 HydrophobicContact CB-CG2 4.13Å; L172-T174 PolarHBondContact O-N 2.99Å; T174-L179 WeakPolarHBondContact O-CD2 3.28Å
175D85.6Confident85.7Confident112 Ų11232.7 Ų32.760%0.59918%0.175SC*.THydrogen-bonded Turntrans-100.8-0.5-176.8-66.1-76.6000113.7R138 N173R138-D175 PolarHBondContact NH2-O 2.97Å; N173-D175 PolarHBondContact O-N 2.8Å; N173-D175 VanDerWaalsContact O-N 3.12Å
176A89.1Confident85.3Confident0 Ų032.9 Ų32.90%018%0.176CC..  trans-52.1150.9179.100000113.2D162 N173 C178 L179D162-A176 WeakPolarHBondContact OD1-CA 3.36Å; D162-A176 VanDerWaalsContact OD1-CB 3.27Å; D162-A176 WeakPolarHBondContact OD1-CB 3.27Å; D162-A176 WeakPolarHBondContact OD2-CA 3.45Å; N173-A176 WeakPolarHBondContact ND2-CB 3.11Å; N173-A176 VanDerWaalsContact O-CB 3.31Å; N173-A176 WeakPolarHBondContact O-CB 3.41Å; N173-A176 PolarHBondContact O-N 3.45Å; A176-C178 VanDerWaalsContact C-N 3.26Å; A176-C178 PolarHBondContact O-N 2.89Å; A176-L179 HydrophobicContact CB-CD2 3.97Å
177F88.8Confident84.8Confident28 Ų2834.2 Ų34.212%0.12318%0.181CC..SBendtrans-63.9-33.8171.797.3-84.2000111.6I129 Q133 R138 A139 F160 D162I129-F177 HydrophobicContact CG2-CE2 3.84Å; I129-F177 HydrophobicContact CG2-CZ 3.8Å; Q133-F177 HydrophobicContact CB-CD2 4.33Å; Q133-F177 HydrophobicContact CB-CE2 3.68Å; Q133-F177 HydrophobicContact CB-CZ 3.88Å; Q133-F177 HydrophobicContact CG-CE1 4.39Å; Q133-F177 HydrophobicContact CG-CE2 4.22Å; Q133-F177 HydrophobicContact CG-CZ 4.05Å; R138-F177 CarbonylContact C-O 3.44Å; R138-F177 WeakPolarHBondContact CA-O 3.4Å; A139-F177 PolarHBondContact N-O 3.26Å; F160-F177 HydrophobicContact CB-CE1 4.31Å; F160-F177 HydrophobicContact CB-CZ 4.32Å; F160-F177 HydrophobicContact CD1-CZ 4.38Å; F160-F177 HydrophobicContact CG-CZ 4.45Å; D162-F177 HydrophobicContact CB-CD1 3.93Å; D162-F177 HydrophobicContact CB-CE1 4.38Å; D162-F177 WeakPolarHBondContact O-CD1 3.35Å; D162-F177 WeakPolarHBondContact O-CE1 3.32Å; D162-F177 PolarHBondContact OD2-N 2.77Å
178C90.5Very high84.3Confident0 Ų037 Ų370%020%0.196CC..EExtended strand (participates in β ladder)trans-113.7100.2179.5-179.90000111.2I129 V163 G164 A176I129-C178 HydrophobicContact CG2-CB 4.24Å; V163-C178 WeakPolarHBondContact CA-O 3.38Å; V163-C178 HydrophobicContact CG2-CB 4.39Å; G164-C178 PolarHBondContact N-O 2.74Å; A176-C178 VanDerWaalsContact C-N 3.26Å; A176-C178 PolarHBondContact O-N 2.89Å
179L91.6Very high84.3Confident4 Ų438.1 Ų38.12%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-95.4133.4177.2-62.4175.3000111.6A139 V140 Y141 V166 T174 A176 M181 F195A139-L179 PolarHBondContact O-N 2.9Å; V140-L179 CarbonylContact C-O 3.53Å; V140-L179 VanDerWaalsContact CA-O 3.3Å; V140-L179 WeakPolarHBondContact CA-O 3.3Å; V140-L179 HydrophobicContact CG2-CB 4.43Å; Y141-L179 PolarHBondContact N-O 2.75Å; V166-L179 HydrophobicContact CG2-CD2 4.36Å; T174-L179 WeakPolarHBondContact O-CD2 3.28Å; A176-L179 HydrophobicContact CB-CD2 3.97Å; L179-M181 HydrophobicContact CB-CE 3.96Å; L179-M181 HydrophobicContact CD1-CE 4.28Å; L179-F195 HydrophobicContact CD1-CZ 4.39Å
180I90.6Very high84.2Confident0 Ų037.2 Ų37.20%019%0.189CC..EExtended strand (participates in β ladder)trans-110.7127.4175-53177.7000108.5Y141 K152 F153 F156 V163 G164 L165 V166Y141-I180 HydrophobicContact CD1-CG2 4.18Å; Y141-I180 CarbonylContact O-C 3.6Å; Y141-I180 VanDerWaalsContact O-CA 3.32Å; Y141-I180 WeakPolarHBondContact O-CA 3.36Å; K152-I180 HydrophobicContact CB-CD1 4.34Å; K152-I180 HydrophobicContact CB-CG2 4.36Å; K152-I180 WeakPolarHBondContact O-CD1 3.4Å; F153-I180 HydrophobicContact CB-CD1 3.99Å; F153-I180 HydrophobicContact CD2-CD1 4.37Å; F156-I180 HydrophobicContact CB-CD1 4.3Å; F156-I180 HydrophobicContact CD2-CD1 3.66Å; F156-I180 HydrophobicContact CD2-CG1 4.26Å; F156-I180 HydrophobicContact CE2-CD1 4.45Å; F156-I180 HydrophobicContact CG-CD1 4.4Å; V163-I180 HydrophobicContact CG1-CD1 3.75Å; V163-I180 HydrophobicContact CG1-CG1 4.12Å; G164-I180 PolarHBondContact O-N 2.68Å; L165-I180 CarbonylContact C-O 2.89Å; L165-I180 WeakPolarHBondContact CA-O 3.46Å; L165-I180 HydrophobicContact CD1-CB 4.33Å; L165-I180 HydrophobicContact CD1-CG2 4.3Å; V166-I180 PolarHBondContact N-O 2.8Å
181M89.3Confident83Confident0 Ų035.8 Ų35.80%018%0.18CC..EExtended strand (participates in β ladder)trans-148.3171.5-175.959.3-177.468.100112.7V140 Y141 T142 S143 S149 V166 L179 I185 L186V140-M181 HydrophobicContact CG1-CE 3.79Å; V140-M181 HydrophobicContact CG1-CG 3.85Å; V140-M181 HydrophobicContact CG1-SD 3.69Å; Y141-M181 PolarHBondContact O-N 2.95Å; T142-M181 CarbonylContact C-O 3.54Å; T142-M181 WeakPolarHBondContact CA-O 3.47Å; T142-M181 HydrophobicContact CG2-CG 4.07Å; S143-M181 PolarHBondContact N-O 2.94Å; S149-M181 PolarHBondContact OG-O 3.12Å; V166-M181 HydrophobicContact CB-CB 4.19Å; V166-M181 HydrophobicContact CG2-CE 4.48Å; V166-M181 VanDerWaalsContact O-CA 3.25Å; V166-M181 WeakPolarHBondContact O-CA 3.46Å; V166-M181 WeakPolarHBondContact O-CB 3.5Å; L179-M181 HydrophobicContact CB-CE 3.96Å; L179-M181 HydrophobicContact CD1-CE 4.28Å; M181-I185 HydrophobicContact CB-CB 4.36Å; M181-I185 HydrophobicContact CB-CG2 4.12Å; M181-I185 HydrophobicContact SD-CG2 4.37Å; M181-L186 HydrophobicContact CG-CB 4.42Å; M181-L186 HydrophobicContact SD-CB 3.79Å; M181-L186 HydrophobicContact SD-CD1 3.76Å; M181-L186 HydrophobicContact SD-CG 4.35Å
182T86.2Confident81.5Confident7 Ų732.7 Ų32.74%0.04317%0.171CC..EExtended strand (participates in β ladder)trans-87.8163.4168.884.50000111.2S143 K146 E184 I185 L186S143-T182 VanDerWaalsContact O-CA 3.3Å; S143-T182 WeakPolarHBondContact O-CA 3.46Å; K146-T182 HydrophobicContact CG-CG2 4.07Å; T182-E184 WeakPolarHBondContact CB-OE2 3.29Å; T182-E184 PolarHBondContact O-N 3.05Å; T182-E184 PolarHBondContact OG1-OE2 3.1Å; T182-I185 PolarHBondContact O-N 3.04Å; T182-L186 PolarHBondContact O-N 3.43Å; T182-L186 VanDerWaalsContact O-N 3.09Å
183T82.3Confident79.8Confident10 Ų1033.9 Ų33.96%0.06118%0.175CC..Hα-helixtrans-68.3-22.9-176.839.40000114T142 S143 R187 W214T142-T183 HydrophobicContact CG2-CG2 4.04Å; S143-T183 PolarHBondContact O-N 3.02Å; T183-R187 PolarHBondContact O-N 2.92Å; T183-W214 PolarHBondContact OG1-NE1 3.38Å
184E80.2Confident78Confident65 Ų6536.6 Ų36.630%0.30418%0.183SC..Hα-helixtrans-78.4-40.9177.7-54.462.9-126.200110T182 R187 I188T182-E184 WeakPolarHBondContact CB-OE2 3.29Å; T182-E184 PolarHBondContact O-N 3.05Å; T182-E184 PolarHBondContact OG1-OE2 3.1Å; E184-R187 WeakPolarHBondContact O-CB 3.39Å; E184-R187 PolarHBondContact O-N 3.16Å; E184-I188 WeakPolarHBondContact O-CG1 3.38Å; E184-I188 PolarHBondContact O-N 2.82Å; E184-I188 VanDerWaalsContact O-N 3.09Å
185I83.2Confident76.1Confident22 Ų2235.8 Ų35.811%0.11318%0.175CC..Hα-helixtrans-62.3-45.3173.1-63-64000110.4V166 M181 T182 R187 I188 F189V166-I185 HydrophobicContact CB-CG2 4.36Å; V166-I185 HydrophobicContact CG1-CG2 3.92Å; M181-I185 HydrophobicContact CB-CB 4.36Å; M181-I185 HydrophobicContact CB-CG2 4.12Å; M181-I185 HydrophobicContact SD-CG2 4.37Å; T182-I185 PolarHBondContact O-N 3.04Å; I185-R187 VanDerWaalsContact C-N 3.28Å; I185-R187 PolarHBondContact O-N 2.86Å; I185-I188 WeakPolarHBondContact O-CB 3.47Å; I185-I188 PolarHBondContact O-N 2.89Å; I185-F189 HydrophobicContact CG2-CD2 3.85Å; I185-F189 HydrophobicContact CG2-CE2 3.82Å; I185-F189 WeakPolarHBondContact O-CD2 3.44Å; I185-F189 PolarHBondContact O-N 2.88Å
186L83.3Confident74Confident5 Ų535.9 Ų35.93%0.02617%0.174CC..Hα-helixtrans-59-39.5176.7-177.760.8000112.5V140 T142 M181 T182 F189 F190 F206 V217V140-L186 HydrophobicContact CG1-CD1 4.35Å; T142-L186 HydrophobicContact CG2-CB 4.02Å; T142-L186 HydrophobicContact CG2-CD2 3.5Å; T142-L186 HydrophobicContact CG2-CG 4.37Å; M181-L186 HydrophobicContact CG-CB 4.42Å; M181-L186 HydrophobicContact SD-CB 3.79Å; M181-L186 HydrophobicContact SD-CD1 3.76Å; M181-L186 HydrophobicContact SD-CG 4.35Å; T182-L186 PolarHBondContact O-N 3.43Å; T182-L186 VanDerWaalsContact O-N 3.09Å; L186-F189 PolarHBondContact O-N 3.12Å; L186-F190 HydrophobicContact CD1-CD2 4.04Å; L186-F190 HydrophobicContact CD1-CE2 3.49Å; L186-F190 VanDerWaalsContact CD1-CE2 3.49Å; L186-F190 HydrophobicContact CD1-CZ 4.33Å; L186-F190 HydrophobicContact CD2-CE2 4.45Å; L186-F190 HydrophobicContact CG-CD2 4.15Å; L186-F190 HydrophobicContact CG-CE2 3.86Å; L186-F190 VanDerWaalsContact O-CD2 3.3Å; L186-F190 WeakPolarHBondContact O-CD2 3.3Å; L186-F190 PolarHBondContact O-N 3.39Å; L186-F206 HydrophobicContact CD1-CE1 3.57Å; L186-F206 HydrophobicContact CD1-CZ 3.91Å; L186-F206 HydrophobicContact CD2-CD1 3.61Å; L186-F206 HydrophobicContact CD2-CE1 3.2Å; L186-F206 HydrophobicContact CD2-CZ 3.95Å; L186-F206 HydrophobicContact CG-CE1 4.02Å; L186-V217 HydrophobicContact CD2-CG1 3.56Å; L186-V217 HydrophobicContact CG-CG1 4.02Å
187R78.6Confident71.5Confident28 Ų2843 Ų4311%0.10621%0.213CC..Hα-helixtrans-59.5-47.4172.5-178.1-174.867.3178.84.6111.3T183 E184 I185 F189 F190 I191 V213 E216 V217T183-R187 PolarHBondContact O-N 2.92Å; E184-R187 WeakPolarHBondContact O-CB 3.39Å; E184-R187 PolarHBondContact O-N 3.16Å; I185-R187 VanDerWaalsContact C-N 3.28Å; I185-R187 PolarHBondContact O-N 2.86Å; R187-F189 VanDerWaalsContact C-N 3.29Å; R187-F189 PolarHBondContact O-N 2.95Å; R187-F190 PolarHBondContact O-N 2.99Å; R187-I191 HydrophobicContact CG-CD1 3.68Å; R187-I191 HydrophobicContact CG-CG1 4.18Å; R187-I191 WeakPolarHBondContact O-CB 3.17Å; R187-I191 WeakPolarHBondContact O-CG1 3.47Å; R187-I191 PolarHBondContact O-N 3.38Å; R187-V213 HydrophobicContact CB-CG1 3.89Å; R187-V213 HydrophobicContact CG-CG1 4.29Å; R187-E216 WeakPolarHBondContact CD-OE2 3.5Å; R187-E216 IonicContact CZ-OE2 3.35Å; R187-E216 IonicContact NE-OE2 2.78Å; R187-E216 IonicContact NH1-OE1 2.78Å; R187-E216 IonicContact NH1-OE2 3.53Å; R187-E216 PolarHBondContact NH1-OE2 3.38Å; R187-V217 HydrophobicContact CB-CG2 3.84Å
188I72.9Confident68.9Low60 Ų6044.4 Ų44.431%0.30823%0.226SC..Hα-helixtrans-60.5-39.6179.9-66.4163.7000110.7E184 I185 F190 I191 C192E184-I188 WeakPolarHBondContact O-CG1 3.38Å; E184-I188 PolarHBondContact O-N 2.82Å; E184-I188 VanDerWaalsContact O-N 3.09Å; I185-I188 WeakPolarHBondContact O-CB 3.47Å; I185-I188 PolarHBondContact O-N 2.89Å; I188-F190 VanDerWaalsContact C-N 3.34Å; I188-F190 PolarHBondContact O-N 2.84Å; I188-I191 PolarHBondContact O-N 2.94Å; I188-C192 WeakPolarHBondContact O-CB 3.31Å; I188-C192 PolarHBondContact O-N 2.89Å
189F74.2Confident66Low39 Ų3950.7 Ų50.717%0.17127%0.27CS..Hα-helixtrans-57.9-41.8174.7-95.3-102.7000113.2V166 I185 L186 R187 Q193 F194 F195V166-F189 HydrophobicContact CG1-CE2 3.88Å; V166-F189 HydrophobicContact CG1-CZ 4.18Å; I185-F189 HydrophobicContact CG2-CD2 3.85Å; I185-F189 HydrophobicContact CG2-CE2 3.82Å; I185-F189 WeakPolarHBondContact O-CD2 3.44Å; I185-F189 PolarHBondContact O-N 2.88Å; L186-F189 PolarHBondContact O-N 3.12Å; R187-F189 VanDerWaalsContact C-N 3.29Å; R187-F189 PolarHBondContact O-N 2.95Å; F189-Q193 PolarHBondContact O-N 3.42Å; F189-F194 HydrophobicContact CD1-CB 3.72Å; F189-F194 HydrophobicContact CD1-CG 4.38Å; F189-F194 HydrophobicContact CE1-CB 4.13Å; F189-F194 HydrophobicContact CE1-CG 4.49Å; F189-F194 PolarHBondContact O-N 3.27Å; F189-F194 VanDerWaalsContact O-N 3.11Å; F189-F195 AromaticContact CD1-CD2 3.96Å; F189-F195 HydrophobicContact CD1-CD2 3.96Å; F189-F195 AromaticContact CD1-CE2 3.8Å; F189-F195 HydrophobicContact CD1-CE2 3.8Å; F189-F195 HydrophobicContact CE1-CE2 4.22Å
190F70.2Confident63Low35 Ų3555.2 Ų55.215%0.15430%0.298CS..Hα-helixtrans-76.2-40.3176.6-73.1-63.8000113.2L186 R187 I188 C192 Q193 F206 M220 L221 P222L186-F190 HydrophobicContact CD1-CD2 4.04Å; L186-F190 HydrophobicContact CD1-CE2 3.49Å; L186-F190 VanDerWaalsContact CD1-CE2 3.49Å; L186-F190 HydrophobicContact CD1-CZ 4.33Å; L186-F190 HydrophobicContact CD2-CE2 4.45Å; L186-F190 HydrophobicContact CG-CD2 4.15Å; L186-F190 HydrophobicContact CG-CE2 3.86Å; L186-F190 VanDerWaalsContact O-CD2 3.3Å; L186-F190 WeakPolarHBondContact O-CD2 3.3Å; L186-F190 PolarHBondContact O-N 3.39Å; R187-F190 PolarHBondContact O-N 2.99Å; I188-F190 VanDerWaalsContact C-N 3.34Å; I188-F190 PolarHBondContact O-N 2.84Å; F190-C192 VanDerWaalsContact C-N 3.28Å; F190-C192 PolarHBondContact O-N 1.79Å; F190-Q193 PolarHBondContact O-N 3.08Å; F190-F206 HydrophobicContact CE2-CZ 4.12Å; F190-F206 HydrophobicContact CZ-CZ 4.07Å; F190-M220 HydrophobicContact CB-CE 4.06Å; F190-L221 HydrophobicContact CD2-CD2 4.2Å; F190-L221 HydrophobicContact CE2-CD2 3.3Å; F190-L221 HydrophobicContact CZ-CD2 3.53Å; F190-P222 HydrophobicContact CE1-CG 4.32Å
191I55.7Low59.9Low14 Ų1461.5 Ų61.57%0.07233%0.331CS..Hα-helixtrans-59.2-40174.6-77.3179.1000111.5R187 I188 Q193 M220 N525R187-I191 HydrophobicContact CG-CD1 3.68Å; R187-I191 HydrophobicContact CG-CG1 4.18Å; R187-I191 WeakPolarHBondContact O-CB 3.17Å; R187-I191 WeakPolarHBondContact O-CG1 3.47Å; R187-I191 PolarHBondContact O-N 3.38Å; I188-I191 PolarHBondContact O-N 2.94Å; I191-Q193 VanDerWaalsContact C-N 3.35Å; I191-M220 HydrophobicContact CG1-CE 3.96Å; I191-M220 HydrophobicContact CG1-SD 4.48Å; I191-N525 HydrophobicContact CD1-CB 4.11Å; I191-N525 HydrophobicContact CG1-CB 4.35Å; I191-N525 HydrophobicContact CG2-CB 3.68Å; I191-N525 WeakPolarHBondContact CG2-OD1 3.45Å
192C53.6Low57.2Low55 Ų5562.1 Ų62.137%0.37234%0.335SS..THydrogen-bonded Turntrans-9312.8179.9-660000113.7I188 F190 F194I188-C192 WeakPolarHBondContact O-CB 3.31Å; I188-C192 PolarHBondContact O-N 2.89Å; F190-C192 VanDerWaalsContact C-N 3.28Å; F190-C192 PolarHBondContact O-N 1.79Å; C192-F194 HydrophobicContact CB-CD2 3.68Å; C192-F194 HydrophobicContact CB-CE2 3.77Å; C192-F194 PolarHBondContact O-N 2.61Å
193Q55.4Low54.8Low85 Ų8564.8 Ų64.840%0.39735%0.347SS..THydrogen-bonded Turntrans56.917.3172.9-61.9-171.1-28.900116.8F189 F190 I191 F195 L196 Q530F189-Q193 PolarHBondContact O-N 3.42Å; F190-Q193 PolarHBondContact O-N 3.08Å; I191-Q193 VanDerWaalsContact C-N 3.35Å; Q193-F195 PolarHBondContact O-N 3.16Å; Q193-L196 HydrophobicContact CB-CD1 3.89Å; Q193-L196 HydrophobicContact CG-CD1 3.8Å; Q193-L196 PolarHBondContact O-N 2.76Å; Q193-Q530 PolarHBondContact NE2-O 3.06Å
194F49.3Very low52.7Low141 Ų14164.8 Ų64.862%0.61835%0.347SS*.THydrogen-bonded Turntrans-56.4-24.2-169.4-92.2-80.9000115.8F189 C192F189-F194 HydrophobicContact CD1-CB 3.72Å; F189-F194 HydrophobicContact CD1-CG 4.38Å; F189-F194 HydrophobicContact CE1-CB 4.13Å; F189-F194 HydrophobicContact CE1-CG 4.49Å; F189-F194 PolarHBondContact O-N 3.27Å; F189-F194 VanDerWaalsContact O-N 3.11Å; C192-F194 HydrophobicContact CB-CD2 3.68Å; C192-F194 HydrophobicContact CB-CE2 3.77Å; C192-F194 PolarHBondContact O-N 2.61Å
195F47.6Very low50.8Low41 Ų4162.2 Ų62.218%0.1834%0.335CS..THydrogen-bonded Turntrans-93.1-9.9178.4-90.7-83.5000115.3L179 F189 Q193 N197 V202L179-F195 HydrophobicContact CD1-CZ 4.39Å; F189-F195 AromaticContact CD1-CD2 3.96Å; F189-F195 HydrophobicContact CD1-CD2 3.96Å; F189-F195 AromaticContact CD1-CE2 3.8Å; F189-F195 HydrophobicContact CD1-CE2 3.8Å; F189-F195 HydrophobicContact CE1-CE2 4.22Å; Q193-F195 PolarHBondContact O-N 3.16Å; F195-N197 VanDerWaalsContact C-N 3.32Å; F195-N197 PolarHBondContact O-N 3.37Å; F195-V202 HydrophobicContact CD1-CG1 4.23Å; F195-V202 HydrophobicContact CD1-CG2 4.37Å; F195-V202 HydrophobicContact CE1-CG1 4Å
196L42.2Very low49.1Very low114 Ų11461.6 Ų61.660%0.59733%0.331SS*.THydrogen-bonded Turntrans-76.8-15.3-172.4-82.3162.4000114.4Q193Q193-L196 HydrophobicContact CB-CD1 3.89Å; Q193-L196 HydrophobicContact CG-CD1 3.8Å; Q193-L196 PolarHBondContact O-N 2.76Å
197N35.7Very low47.5Very low151 Ų15161.5 Ų61.581%0.80733%0.33SS*.THydrogen-bonded Turntrans-99.610.6-176.6-65.5-11.9000113.8F195F195-N197 VanDerWaalsContact C-N 3.32Å; F195-N197 PolarHBondContact O-N 3.37Å
198S33.6Very low45.9Very low56 Ų5661.5 Ų61.539%0.39233%0.331SS..  trans-108111.6179.6-600000111.3V200S198-V200 PolarHBondContact O-N 2.89Å
199S29.8Very low44.8Very low133 Ų13361.5 Ų61.593%0.9333%0.33SS*.  trans-7234.9-178.1-41.80000114.9
200V28.5Very low43.7Very low99 Ų9963.4 Ų63.460%0.634%0.336SS*.SBendtrans-114.6141.3-175.6-176.40000108.3S198 V202S198-V200 PolarHBondContact O-N 2.89Å; V200-V202 VanDerWaalsContact C-N 3.27Å; V200-V202 WeakPolarHBondContact O-CG2 3.26Å; V200-V202 PolarHBondContact O-N 2.8Å
201D26.5Very low42.9Very low131 Ų13162.5 Ų62.570%0.70134%0.337SS*.  trans-6882.9174.8-84.8-59.3000111.6H203D201-H203 VanDerWaalsContact C-N 3.27Å; D201-H203 PolarHBondContact O-N 3.34Å
202V31.5Very low43.1Very low14 Ų1465.3 Ų65.39%0.08535%0.354CS..  trans-76.978.6-177.7-150.70000110.3R138 F195 V200 V204R138-V202 HydrophobicContact CB-CG1 3.92Å; R138-V202 HydrophobicContact CG-CG1 4.42Å; F195-V202 HydrophobicContact CD1-CG1 4.23Å; F195-V202 HydrophobicContact CD1-CG2 4.37Å; F195-V202 HydrophobicContact CE1-CG1 4Å; V200-V202 VanDerWaalsContact C-N 3.27Å; V200-V202 WeakPolarHBondContact O-CG2 3.26Å; V200-V202 PolarHBondContact O-N 2.8Å; V202-V204 HydrophobicContact CB-CG2 4.17Å; V202-V204 HydrophobicContact CG1-CG2 3.43Å; V202-V204 VanDerWaalsContact CG1-CG2 3.43Å; V202-V204 PolarHBondContact O-N 2.72Å
203H36.3Very low43.9Very low63 Ų6363.4 Ų63.429%0.29234%0.341SS..  trans-70.360.4167.8-72.2-48.2000111.9T137 D201 K205T137-H203 HydrophobicContact CG2-CB 3.85Å; D201-H203 VanDerWaalsContact C-N 3.27Å; D201-H203 PolarHBondContact O-N 3.34Å; H203-K205 PolarHBondContact O-N 2.92Å
204V39.1Very low44.9Very low9 Ų962.3 Ų62.36%0.05533%0.333CS..  trans-54.5128.3176.9-169.60000109.3R138 V140 V202 F206 V225 K226R138-V204 WeakPolarHBondContact O-CA 3.36Å; V140-V204 HydrophobicContact CB-CG1 3.64Å; V140-V204 HydrophobicContact CG2-CG1 3.55Å; V202-V204 HydrophobicContact CB-CG2 4.17Å; V202-V204 HydrophobicContact CG1-CG2 3.43Å; V202-V204 VanDerWaalsContact CG1-CG2 3.43Å; V202-V204 PolarHBondContact O-N 2.72Å; V204-F206 HydrophobicContact CB-CE2 3.88Å; V204-F206 HydrophobicContact CB-CZ 4.16Å; V204-F206 HydrophobicContact CG1-CD1 4.26Å; V204-F206 HydrophobicContact CG1-CD2 3.91Å; V204-F206 HydrophobicContact CG1-CE1 3.77Å; V204-F206 HydrophobicContact CG1-CE2 3.4Å; V204-F206 HydrophobicContact CG1-CG 4.32Å; V204-F206 HydrophobicContact CG1-CZ 3.34Å; V204-V225 HydrophobicContact CB-CG1 4.38Å; V204-V225 HydrophobicContact CB-CG2 4.28Å; V204-V225 WeakPolarHBondContact O-CG1 3.34Å; V204-K226 PolarHBondContact O-N 2.9Å; V204-K226 VanDerWaalsContact O-N 3.11Å
205K39.7Very low46.5Very low12 Ų1256.2 Ų56.25%0.05231%0.307CS..EExtended strand (participates in β ladder)trans-105.3121.9164.9-65.5178.1-162.9153.90108.7A128 C132 V140 H203 K226 I228A128-K205 HydrophobicContact CB-CD 3.97Å; A128-K205 WeakPolarHBondContact O-CD 3.49Å; A128-K205 PolarHBondContact O-NZ 2.79Å; C132-K205 WeakPolarHBondContact SG-CD 3.22Å; C132-K205 WeakPolarHBondContact SG-CE 3.41Å; C132-K205 PolarHBondContact SG-NZ 3.47Å; V140-K205 CarbonylContact C-O 3.54Å; V140-K205 PolarHBondContact N-O 3.07Å; V140-K205 VanDerWaalsContact O-O 3.08Å; H203-K205 PolarHBondContact O-N 2.92Å; K205-K226 WeakPolarHBondContact CA-O 3.11Å; K205-K226 HydrophobicContact CG-CB 4.46Å; K205-I228 HydrophobicContact CB-CD1 4.08Å; K205-I228 HydrophobicContact CD-CD1 4.1Å; K205-I228 HydrophobicContact CG-CD1 4.32Å
206F47.5Very low48.1Very low9 Ų954.5 Ų54.54%0.03930%0.299CS..EExtended strand (participates in β ladder)trans-95156.6176.3-73.1-69.9000112V140 L186 F190 V204 L221 V225 I228V140-F206 HydrophobicContact CB-CD1 4.01Å; V140-F206 HydrophobicContact CB-CE1 3.61Å; V140-F206 HydrophobicContact CB-CZ 4.38Å; V140-F206 HydrophobicContact CG1-CD1 4.05Å; V140-F206 HydrophobicContact CG1-CE1 3.59Å; V140-F206 HydrophobicContact CG2-CE1 4.38Å; V140-F206 WeakPolarHBondContact O-CA 3.47Å; L186-F206 HydrophobicContact CD1-CE1 3.57Å; L186-F206 HydrophobicContact CD1-CZ 3.91Å; L186-F206 HydrophobicContact CD2-CD1 3.61Å; L186-F206 HydrophobicContact CD2-CE1 3.2Å; L186-F206 HydrophobicContact CD2-CZ 3.95Å; L186-F206 HydrophobicContact CG-CE1 4.02Å; F190-F206 HydrophobicContact CE2-CZ 4.12Å; F190-F206 HydrophobicContact CZ-CZ 4.07Å; V204-F206 HydrophobicContact CB-CE2 3.88Å; V204-F206 HydrophobicContact CB-CZ 4.16Å; V204-F206 HydrophobicContact CG1-CD1 4.26Å; V204-F206 HydrophobicContact CG1-CD2 3.91Å; V204-F206 HydrophobicContact CG1-CE1 3.77Å; V204-F206 HydrophobicContact CG1-CE2 3.4Å; V204-F206 HydrophobicContact CG1-CG 4.32Å; V204-F206 HydrophobicContact CG1-CZ 3.34Å; F206-L221 HydrophobicContact CD2-CD1 3.7Å; F206-L221 HydrophobicContact CD2-CD2 4.08Å; F206-L221 HydrophobicContact CE2-CD1 3.91Å; F206-L221 HydrophobicContact CE2-CD2 3.47Å; F206-L221 VanDerWaalsContact CE2-CD2 3.47Å; F206-L221 HydrophobicContact CE2-CG 4.26Å; F206-L221 HydrophobicContact CZ-CD2 3.78Å; F206-V225 HydrophobicContact CD2-CG1 3.49Å; F206-V225 VanDerWaalsContact CD2-CG1 3.49Å; F206-V225 HydrophobicContact CE2-CG1 3.46Å; F206-V225 VanDerWaalsContact CE2-CG1 3.46Å; F206-V225 HydrophobicContact CE2-CG2 4.44Å; F206-I228 CarbonylContact C-O 3.52Å; F206-I228 CarbonylContact O-C 3.52Å; F206-I228 WeakPolarHBondContact O-CA 3.35Å; F206-I228 VanDerWaalsContact O-CB 3.28Å; F206-I228 WeakPolarHBondContact O-CB 3.12Å; F206-I228 PolarHBondContact O-N 3.16Å
207F49.2Very low50.1Low3 Ų349.7 Ų49.71%0.01327%0.274CS..EExtended strand (participates in β ladder)trans-129.2101.7175.8-65.3-67.8000111.7A125 A128 I129 Y141 T142 I228 L230A125-F207 VanDerWaalsContact CA-CE1 3.41Å; A125-F207 HydrophobicContact CB-CD1 3.82Å; A125-F207 HydrophobicContact CB-CD2 4.48Å; A125-F207 HydrophobicContact CB-CE1 3.71Å; A125-F207 HydrophobicContact CB-CE2 4.37Å; A125-F207 HydrophobicContact CB-CG 4.22Å; A125-F207 HydrophobicContact CB-CZ 3.99Å; A128-F207 HydrophobicContact CB-CE1 3.96Å; A128-F207 HydrophobicContact CB-CZ 3.59Å; I129-F207 HydrophobicContact CD1-CE2 4.12Å; I129-F207 HydrophobicContact CG1-CE2 3.86Å; I129-F207 HydrophobicContact CG1-CZ 4.24Å; Y141-F207 HydrophobicContact CD2-CB 3.64Å; Y141-F207 AromaticContact CD2-CD2 3.34Å; Y141-F207 HydrophobicContact CD2-CD2 3.34Å; Y141-F207 HydrophobicContact CD2-CE2 4.19Å; Y141-F207 AromaticContact CD2-CG 3.64Å; Y141-F207 HydrophobicContact CD2-CG 3.64Å; Y141-F207 HydrophobicContact CE2-CB 3.77Å; Y141-F207 HydrophobicContact CE2-CD2 4.15Å; Y141-F207 AromaticContact CE2-CG 4Å; Y141-F207 HydrophobicContact CE2-CG 4Å; Y141-F207 HydrophobicContact CG-CB 4.22Å; Y141-F207 AromaticContact CG-CD2 3.99Å; Y141-F207 HydrophobicContact CG-CD2 3.99Å; Y141-F207 HydrophobicContact CG-CG 4.46Å; T142-F207 VanDerWaalsContact O-O 3.05Å; T142-F207 PolarHBondContact OG1-O 3.13Å; T142-F207 VanDerWaalsContact OG1-O 3.08Å; F207-I228 WeakPolarHBondContact CA-O 3.27Å; F207-I228 HydrophobicContact CD1-CB 4.01Å; F207-I228 HydrophobicContact CD1-CD1 4.43Å; F207-I228 HydrophobicContact CD1-CG2 4.04Å; F207-I228 HydrophobicContact CE1-CB 3.9Å; F207-I228 HydrophobicContact CE1-CD1 3.51Å; F207-I228 HydrophobicContact CE1-CG1 4.32Å; F207-I228 HydrophobicContact CE1-CG2 3.94Å; F207-I228 HydrophobicContact CZ-CD1 3.9Å; F207-L230 HydrophobicContact CB-CD1 4.43Å; F207-L230 HydrophobicContact CD1-CD1 3.81Å; F207-L230 HydrophobicContact CD1-CG 4.31Å; F207-L230 HydrophobicContact CG-CD1 4.47Å
208F45.7Very low52.4Low27 Ų2742.8 Ų42.812%0.11824%0.238CC..EExtended strand (participates in β ladder)trans-85.2127.5-170.7-171.5-82.7000114.2W214 L218 I228 M229 L230 F240F208-W214 HydrophobicContact CE2-CB 3.6Å; F208-W214 HydrophobicContact CE2-CG 4.06Å; F208-W214 HydrophobicContact CZ-CB 3.6Å; F208-W214 HydrophobicContact CZ-CD2 4.27Å; F208-W214 AromaticContact CZ-CG 3.95Å; F208-W214 HydrophobicContact CZ-CG 3.95Å; F208-L218 HydrophobicContact CD2-CD1 4.29Å; F208-L218 HydrophobicContact CE2-CD1 3.74Å; F208-L218 HydrophobicContact CE2-CG 4.38Å; F208-I228 PolarHBondContact N-O 2.91Å; F208-I228 VanDerWaalsContact N-O 3.11Å; F208-M229 HydrophobicContact CB-CB 3.84Å; F208-M229 HydrophobicContact CB-CG 3.61Å; F208-M229 HydrophobicContact CB-SD 4.4Å; F208-M229 HydrophobicContact CD2-SD 4.47Å; F208-M229 HydrophobicContact CG-CB 4.48Å; F208-M229 HydrophobicContact CG-CG 4.14Å; F208-M229 HydrophobicContact CG-SD 4.3Å; F208-L230 CarbonylContact O-C 3.55Å; F208-L230 PolarHBondContact O-N 2.79Å; F208-F240 HydrophobicContact CZ-CE1 4.49Å; F208-F240 HydrophobicContact CZ-CZ 4.41Å
209Q48.9Very low54.9Low60 Ų6040.2 Ų40.228%0.2822%0.219SC..  trans-134.6133.6159.1-178.8177-36.600109.2P144 W214 M439P144-Q209 HydrophobicContact CG-CB 4.37Å; P144-Q209 HydrophobicContact CG-CG 4.04Å; Q209-W214 PolarHBondContact O-NE1 3.04Å; Q209-M439 PolarHBondContact NE2-O 3.19Å
210R52.6Low57.3Low79 Ų7935.2 Ų35.230%0.29818%0.182SC..  trans-44.90-167.2-27.2170175.7143.4-16.4119.9W214R210-W214 VanDerWaalsContact CA-CE2 3.46Å; R210-W214 HydrophobicContact CB-CD2 4.02Å; R210-W214 HydrophobicContact CB-CE3 3.01Å; R210-W214 HydrophobicContact CB-CH2 3.93Å; R210-W214 HydrophobicContact CB-CZ3 2.93Å; R210-W214 HydrophobicContact CG-CE3 4.41Å; R210-W214 HydrophobicContact CG-CZ3 4.39Å; R210-W214 WeakPolarHBondContact O-CH2 3.23Å; R210-W214 WeakPolarHBondContact O-CZ2 3.25Å; R210-W214 WeakPolarHBondContact O-CZ3 3.43Å
211G53.7Low59.9Low17 Ų1730.7 Ų30.718%0.17515%0.154CC..SBend0168.3000000104.6V213 W214G211-V213 PolarHBondContact O-N 3.13Å; G211-W214 VanDerWaalsContact CA-CD2 3.44Å; G211-W214 VanDerWaalsContact N-CG 3.26Å; G211-W214 WeakPolarHBondContact O-CB 3.35Å; G211-W214 VanDerWaalsContact O-CD2 3.31Å; G211-W214 VanDerWaalsContact O-CE3 3.31Å; G211-W214 PolarHBondContact O-N 2.97Å
212V57.9Low62.6Low72 Ų7226.5 Ų26.544%0.43613%0.134SC..THydrogen-bonded Turntrans-65.9-28.3-173.3-174.60000111.8W214 R515V212-W214 VanDerWaalsContact C-N 3.35Å; V212-W214 PolarHBondContact O-N 3.17Å; V212-R515 HydrophobicContact CG1-CB 4.39Å; V212-R515 VanDerWaalsContact CG1-O 3.29Å; V212-R515 WeakPolarHBondContact CG1-O 3.49Å
213V71.9Confident65Low16 Ų1629.7 Ų29.710%0.09715%0.151CC..THydrogen-bonded Turntrans-79.4-11.4-176.7-173.10000113.6R187 G211 E215 E216 V217R187-V213 HydrophobicContact CB-CG1 3.89Å; R187-V213 HydrophobicContact CG-CG1 4.29Å; G211-V213 PolarHBondContact O-N 3.13Å; V213-E215 PolarHBondContact O-N 2.92Å; V213-E216 PolarHBondContact O-N 3.33Å; V213-V217 HydrophobicContact CG1-CG2 4.03Å; V213-V217 PolarHBondContact O-N 2.8Å
214W76.4Confident67.2Low62 Ų6231.1 Ų31.124%0.23516%0.157CC..Hα-helixtrans-60.3-17-174.6-67.1-18000113.8P144 T183 F208 Q209 R210 G211 V212 L218P144-W214 HydrophobicContact CB-CZ2 3.38Å; T183-W214 PolarHBondContact OG1-NE1 3.38Å; F208-W214 HydrophobicContact CE2-CB 3.6Å; F208-W214 HydrophobicContact CE2-CG 4.06Å; F208-W214 HydrophobicContact CZ-CB 3.6Å; F208-W214 HydrophobicContact CZ-CD2 4.27Å; F208-W214 AromaticContact CZ-CG 3.95Å; F208-W214 HydrophobicContact CZ-CG 3.95Å; Q209-W214 PolarHBondContact O-NE1 3.04Å; R210-W214 VanDerWaalsContact CA-CE2 3.46Å; R210-W214 HydrophobicContact CB-CD2 4.02Å; R210-W214 HydrophobicContact CB-CE3 3.01Å; R210-W214 HydrophobicContact CB-CH2 3.93Å; R210-W214 HydrophobicContact CB-CZ3 2.93Å; R210-W214 HydrophobicContact CG-CE3 4.41Å; R210-W214 HydrophobicContact CG-CZ3 4.39Å; R210-W214 WeakPolarHBondContact O-CH2 3.23Å; R210-W214 WeakPolarHBondContact O-CZ2 3.25Å; R210-W214 WeakPolarHBondContact O-CZ3 3.43Å; G211-W214 VanDerWaalsContact CA-CD2 3.44Å; G211-W214 VanDerWaalsContact N-CG 3.26Å; G211-W214 WeakPolarHBondContact O-CB 3.35Å; G211-W214 VanDerWaalsContact O-CD2 3.31Å; G211-W214 VanDerWaalsContact O-CE3 3.31Å; G211-W214 PolarHBondContact O-N 2.97Å; V212-W214 VanDerWaalsContact C-N 3.35Å; V212-W214 PolarHBondContact O-N 3.17Å; W214-L218 WeakPolarHBondContact O-CD1 3.3Å; W214-L218 WeakPolarHBondContact O-CG 3.38Å
215E82.1Confident69.4Low12 Ų1230.8 Ų30.86%0.05616%0.155CC..Hα-helixtrans-92.1-42.9177.4-160.2171.3133.400113.3V213 V217 L218 I219 W243 S514 F516 S541 Y542V213-E215 PolarHBondContact O-N 2.92Å; E215-V217 PolarHBondContact O-N 3.42Å; E215-L218 PolarHBondContact O-N 2.75Å; E215-I219 HydrophobicContact CG-CD1 4.5Å; E215-I219 WeakPolarHBondContact O-CG1 3.45Å; E215-I219 PolarHBondContact O-N 3.49Å; E215-I219 VanDerWaalsContact O-N 3.14Å; E215-W243 HydrophobicContact CG-CH2 3.65Å; E215-W243 HydrophobicContact CG-CZ2 3.92Å; E215-S514 PolarHBondContact OE1-OG 3.38Å; E215-S514 WeakPolarHBondContact OE2-CB 3.31Å; E215-S514 PolarHBondContact OE2-OG 2.76Å; E215-F516 HydrophobicContact CB-CD2 4.32Å; E215-F516 HydrophobicContact CG-CD2 4.33Å; E215-F516 WeakPolarHBondContact OE1-CB 3.5Å; E215-S541 WeakPolarHBondContact OE1-CA 3.49Å; E215-S541 WeakPolarHBondContact OE1-CB 3.38Å; E215-Y542 PolarHBondContact OE1-N 3.06Å
216E81.5Confident71.7Confident5 Ų532.7 Ų32.72%0.02316%0.163CC..Hα-helixtrans-55.2-49.9178.4-65.2172.8-159.400111.2R187 V213 L218 I219 M220 F516 M522 M537R187-E216 WeakPolarHBondContact CD-OE2 3.5Å; R187-E216 IonicContact CZ-OE2 3.35Å; R187-E216 IonicContact NE-OE2 2.78Å; R187-E216 IonicContact NH1-OE1 2.78Å; R187-E216 IonicContact NH1-OE2 3.53Å; R187-E216 PolarHBondContact NH1-OE2 3.38Å; V213-E216 PolarHBondContact O-N 3.33Å; E216-L218 PolarHBondContact O-N 3.31Å; E216-I219 PolarHBondContact O-N 2.74Å; E216-M220 WeakPolarHBondContact O-CG 3.34Å; E216-M220 PolarHBondContact O-N 3.49Å; E216-M220 VanDerWaalsContact O-N 3.13Å; E216-F516 HydrophobicContact CG-CD2 4.17Å; E216-F516 HydrophobicContact CG-CE2 3.94Å; E216-M522 HydrophobicContact CG-SD 4.07Å; E216-M537 HydrophobicContact CB-CE 3.71Å; E216-M537 HydrophobicContact CG-CE 4.01Å
217V83.9Confident73.6Confident13 Ų1332.4 Ų32.48%0.07916%0.163CC..Hα-helixtrans-59.9-48.7179.2170.90000111L186 R187 V213 E215 I219 M220 L221L186-V217 HydrophobicContact CD2-CG1 3.56Å; L186-V217 HydrophobicContact CG-CG1 4.02Å; R187-V217 HydrophobicContact CB-CG2 3.84Å; V213-V217 HydrophobicContact CG1-CG2 4.03Å; V213-V217 PolarHBondContact O-N 2.8Å; E215-V217 PolarHBondContact O-N 3.42Å; V217-I219 VanDerWaalsContact C-N 3.27Å; V217-I219 PolarHBondContact O-N 3.16Å; V217-M220 PolarHBondContact O-N 2.9Å; V217-L221 HydrophobicContact CG1-CD2 3.9Å; V217-L221 HydrophobicContact CG1-CG 4.46Å; V217-L221 WeakPolarHBondContact O-CG 3.47Å; V217-L221 PolarHBondContact O-N 3.35Å
218L84.3Confident75.5Confident6 Ų632.4 Ų32.43%0.03116%0.163CC..Hα-helixtrans-59.8-37.3-177.8-80175.2000111.9F208 W214 E215 E216 L221 V227 F240 W243 I244 K248F208-L218 HydrophobicContact CD2-CD1 4.29Å; F208-L218 HydrophobicContact CE2-CD1 3.74Å; F208-L218 HydrophobicContact CE2-CG 4.38Å; W214-L218 WeakPolarHBondContact O-CD1 3.3Å; W214-L218 WeakPolarHBondContact O-CG 3.38Å; E215-L218 PolarHBondContact O-N 2.75Å; E216-L218 PolarHBondContact O-N 3.31Å; L218-L221 HydrophobicContact CD2-CD1 4.16Å; L218-V227 HydrophobicContact CD2-CG1 4.18Å; L218-F240 HydrophobicContact CD1-CE1 4.42Å; L218-F240 HydrophobicContact CD1-CZ 4.26Å; L218-W243 HydrophobicContact CB-CH2 4.3Å; L218-W243 HydrophobicContact CD1-CH2 4.32Å; L218-W243 HydrophobicContact CD1-CZ3 4.03Å; L218-I244 HydrophobicContact CD1-CD1 3.71Å; L218-I244 HydrophobicContact CD1-CG1 4.26Å; L218-I244 HydrophobicContact CD2-CD1 4.5Å; L218-K248 WeakPolarHBondContact O-CE 3.45Å; L218-K248 PolarHBondContact O-NZ 2.86Å
219I85.2Confident77.5Confident2 Ų231.1 Ų31.11%0.0116%0.157CC..Hα-helixtrans-65.4-46.6174.1-63.5166.5000110.3E215 E216 V217 L221 W243 I247 K248 M537 K540E215-I219 HydrophobicContact CG-CD1 4.5Å; E215-I219 WeakPolarHBondContact O-CG1 3.45Å; E215-I219 PolarHBondContact O-N 3.49Å; E215-I219 VanDerWaalsContact O-N 3.14Å; E216-I219 PolarHBondContact O-N 2.74Å; V217-I219 VanDerWaalsContact C-N 3.27Å; V217-I219 PolarHBondContact O-N 3.16Å; I219-L221 PolarHBondContact O-N 3.23Å; I219-W243 HydrophobicContact CG1-CZ2 4.2Å; I219-I247 HydrophobicContact CG1-CD1 4.26Å; I219-K248 PolarHBondContact O-NZ 2.75Å; I219-M537 HydrophobicContact CB-SD 4.03Å; I219-M537 HydrophobicContact CD1-SD 4.36Å; I219-M537 HydrophobicContact CG2-SD 3.68Å; I219-K540 HydrophobicContact CD1-CB 4.21Å; I219-K540 HydrophobicContact CG1-CB 4.12Å; I219-K540 HydrophobicContact CG2-CB 3.88Å; I219-K540 HydrophobicContact CG2-CD 3.91Å
220M81.8Confident79.3Confident28 Ų2828.9 Ų28.914%0.13815%0.147CC..Hα-helixtrans-70.3-21.5-174.9-67179.97900116F190 I191 E216 V217 I532 M537F190-M220 HydrophobicContact CB-CE 4.06Å; I191-M220 HydrophobicContact CG1-CE 3.96Å; I191-M220 HydrophobicContact CG1-SD 4.48Å; E216-M220 WeakPolarHBondContact O-CG 3.34Å; E216-M220 PolarHBondContact O-N 3.49Å; E216-M220 VanDerWaalsContact O-N 3.13Å; V217-M220 PolarHBondContact O-N 2.9Å; M220-I532 HydrophobicContact CB-CD1 4.32Å; M220-I532 HydrophobicContact CG-CD1 4.19Å; M220-M537 HydrophobicContact CG-CE 4Å; M220-M537 HydrophobicContact CG-SD 4.17Å; M220-M537 HydrophobicContact SD-CE 4.08Å
221L83Confident80.7Confident5 Ų525.4 Ų25.43%0.02614%0.135CC..SBendtrans-55.6133.3-179.1-58.2-177.1000112.3F190 F206 V217 L218 I219 V225 V227 K248F190-L221 HydrophobicContact CD2-CD2 4.2Å; F190-L221 HydrophobicContact CE2-CD2 3.3Å; F190-L221 HydrophobicContact CZ-CD2 3.53Å; F206-L221 HydrophobicContact CD2-CD1 3.7Å; F206-L221 HydrophobicContact CD2-CD2 4.08Å; F206-L221 HydrophobicContact CE2-CD1 3.91Å; F206-L221 HydrophobicContact CE2-CD2 3.47Å; F206-L221 VanDerWaalsContact CE2-CD2 3.47Å; F206-L221 HydrophobicContact CE2-CG 4.26Å; F206-L221 HydrophobicContact CZ-CD2 3.78Å; V217-L221 HydrophobicContact CG1-CD2 3.9Å; V217-L221 HydrophobicContact CG1-CG 4.46Å; V217-L221 WeakPolarHBondContact O-CG 3.47Å; V217-L221 PolarHBondContact O-N 3.35Å; L218-L221 HydrophobicContact CD2-CD1 4.16Å; I219-L221 PolarHBondContact O-N 3.23Å; L221-V225 HydrophobicContact CB-CG1 4.48Å; L221-V225 HydrophobicContact CD1-CG1 4.11Å; L221-V227 HydrophobicContact CD1-CG2 3.91Å; L221-K248 PolarHBondContact O-NZ 3.09Å
222P82.5Confident81.8Confident42 Ų4225.8 Ų25.827%0.27314%0.136SC..  trans-57.5145.5171.7-25.734.1000112.9F190 H224 V225F190-P222 HydrophobicContact CE1-CG 4.32Å; P222-H224 VanDerWaalsContact CB-CE1 3.44Å; P222-H224 WeakPolarHBondContact CB-CE1 3.11Å; P222-H224 PolarHBondContact O-N 3.33Å; P222-H224 VanDerWaalsContact O-N 3.07Å; P222-V225 HydrophobicContact CB-CG2 4.3Å; P222-V225 HydrophobicContact CG-CG2 4.49Å; P222-V225 VanDerWaalsContact O-CB 3.26Å; P222-V225 WeakPolarHBondContact O-CB 3.13Å; P222-V225 WeakPolarHBondContact O-CG2 3.1Å; P222-V225 PolarHBondContact O-N 3.27Å; P222-V225 VanDerWaalsContact O-N 3.1Å
223N82.4Confident82.7Confident81 Ų8123.5 Ų23.543%0.43312%0.122SC..THydrogen-bonded Turntrans-65.8-13.8-176.1-67.8-12.3000114.5V225 R250N223-V225 VanDerWaalsContact C-N 3.33Å; N223-R250 PolarHBondContact O-NE 3.36Å; N223-R250 VanDerWaalsContact O-NE 3.08Å; N223-R250 PolarHBondContact O-NH1 2.93Å; N223-R250 PolarHBondContact O-NH2 3.11Å
224H82.4Confident82.7Confident94 Ų9423.5 Ų23.544%0.43512%0.122SC..THydrogen-bonded Turntrans-76.1-18.617559.3-120.1000113.6P222 R250P222-H224 VanDerWaalsContact CB-CE1 3.44Å; P222-H224 WeakPolarHBondContact CB-CE1 3.11Å; P222-H224 PolarHBondContact O-N 3.33Å; P222-H224 VanDerWaalsContact O-N 3.07Å; H224-R250 PolarHBondContact O-NH1 3.07Å; H224-R250 PolarHBondContact O-NH2 3.1Å
225V85.4Confident82.6Confident2 Ų222.1 Ų22.11%0.01212%0.12CC..  trans-67.7139.2-178.9168.20000112V204 F206 L221 P222 N223 V227 R250V204-V225 HydrophobicContact CB-CG1 4.38Å; V204-V225 HydrophobicContact CB-CG2 4.28Å; V204-V225 WeakPolarHBondContact O-CG1 3.34Å; F206-V225 HydrophobicContact CD2-CG1 3.49Å; F206-V225 VanDerWaalsContact CD2-CG1 3.49Å; F206-V225 HydrophobicContact CE2-CG1 3.46Å; F206-V225 VanDerWaalsContact CE2-CG1 3.46Å; F206-V225 HydrophobicContact CE2-CG2 4.44Å; L221-V225 HydrophobicContact CB-CG1 4.48Å; L221-V225 HydrophobicContact CD1-CG1 4.11Å; P222-V225 HydrophobicContact CB-CG2 4.3Å; P222-V225 HydrophobicContact CG-CG2 4.49Å; P222-V225 VanDerWaalsContact O-CB 3.26Å; P222-V225 WeakPolarHBondContact O-CB 3.13Å; P222-V225 WeakPolarHBondContact O-CG2 3.1Å; P222-V225 PolarHBondContact O-N 3.27Å; P222-V225 VanDerWaalsContact O-N 3.1Å; N223-V225 VanDerWaalsContact C-N 3.33Å; V225-V227 HydrophobicContact CG1-CG2 4.29Å; V225-R250 PolarHBondContact O-NH1 2.62Å
226K86.7Confident82.3Confident51 Ų5123.8 Ų23.822%0.22213%0.129CC..EExtended strand (participates in β ladder)trans-100.3129.2175.1-66.4176.5177.1-177.50108.8G108 V204 K205G108-K226 VanDerWaalsContact CA-NZ 3.34Å; G108-K226 VanDerWaalsContact O-CD 3.24Å; G108-K226 WeakPolarHBondContact O-CD 3.27Å; G108-K226 WeakPolarHBondContact O-CE 3.15Å; G108-K226 PolarHBondContact O-NZ 3.33Å; V204-K226 PolarHBondContact O-N 2.9Å; V204-K226 VanDerWaalsContact O-N 3.11Å; K205-K226 WeakPolarHBondContact CA-O 3.11Å; K205-K226 HydrophobicContact CG-CB 4.46Å
227V87.4Confident82.3Confident4 Ų424 Ų242%0.02413%0.13CC..EExtended strand (participates in β ladder)trans-106.9132.5-171.8-176.80000110.3S110 L111 L218 L221 V225 M229S110-V227 CarbonylContact C-O 3.49Å; S110-V227 WeakPolarHBondContact CA-O 3.42Å; S110-V227 WeakPolarHBondContact CB-O 3.46Å; S110-V227 PolarHBondContact OG-N 2.67Å; S110-V227 VanDerWaalsContact OG-N 3.16Å; L111-V227 PolarHBondContact N-O 2.68Å; L218-V227 HydrophobicContact CD2-CG1 4.18Å; L221-V227 HydrophobicContact CD1-CG2 3.91Å; V225-V227 HydrophobicContact CG1-CG2 4.29Å; V227-M229 HydrophobicContact CG1-CG 4Å
228I90.4Very high82.5Confident2 Ų225 Ų251%0.0114%0.135CC..EExtended strand (participates in β ladder)trans-122.8127.7172.6-51.6162000108.6L105 L111 V124 A128 K205 F206 F207 F208 L230L105-I228 HydrophobicContact CD2-CD1 3.44Å; L105-I228 VanDerWaalsContact CD2-CD1 3.44Å; L105-I228 HydrophobicContact CD2-CG1 4Å; L111-I228 HydrophobicContact CB-CG2 4.23Å; L111-I228 CarbonylContact O-C 3.57Å; L111-I228 WeakPolarHBondContact O-CA 3.37Å; V124-I228 HydrophobicContact CG1-CG2 4.19Å; A128-I228 HydrophobicContact CB-CD1 3.4Å; K205-I228 HydrophobicContact CB-CD1 4.08Å; K205-I228 HydrophobicContact CD-CD1 4.1Å; K205-I228 HydrophobicContact CG-CD1 4.32Å; F206-I228 CarbonylContact C-O 3.52Å; F206-I228 CarbonylContact O-C 3.52Å; F206-I228 WeakPolarHBondContact O-CA 3.35Å; F206-I228 VanDerWaalsContact O-CB 3.28Å; F206-I228 WeakPolarHBondContact O-CB 3.12Å; F206-I228 PolarHBondContact O-N 3.16Å; F207-I228 WeakPolarHBondContact CA-O 3.27Å; F207-I228 HydrophobicContact CD1-CB 4.01Å; F207-I228 HydrophobicContact CD1-CD1 4.43Å; F207-I228 HydrophobicContact CD1-CG2 4.04Å; F207-I228 HydrophobicContact CE1-CB 3.9Å; F207-I228 HydrophobicContact CE1-CD1 3.51Å; F207-I228 HydrophobicContact CE1-CG1 4.32Å; F207-I228 HydrophobicContact CE1-CG2 3.94Å; F207-I228 HydrophobicContact CZ-CD1 3.9Å; F208-I228 PolarHBondContact N-O 2.91Å; F208-I228 VanDerWaalsContact N-O 3.11Å; I228-L230 HydrophobicContact CG2-CD2 4.07Å; I228-L230 HydrophobicContact CG2-CG 4.47Å
229M88.3Confident82.4Confident0 Ų026.7 Ų26.70%014%0.143CC..EExtended strand (participates in β ladder)trans-118132.6-179.5-58.7-169.3-81.900111.4L111 F112 V113 F208 V227 F240 I244 I252L111-M229 PolarHBondContact O-N 3.42Å; F112-M229 HydrophobicContact CB-CB 4.48Å; F112-M229 HydrophobicContact CB-CE 3.89Å; F112-M229 HydrophobicContact CD1-CB 3.67Å; F112-M229 HydrophobicContact CD1-CE 4.31Å; F112-M229 HydrophobicContact CD2-CE 3.34Å; F112-M229 HydrophobicContact CD2-SD 4.42Å; F112-M229 HydrophobicContact CE1-CB 4.05Å; F112-M229 HydrophobicContact CE2-CE 3.88Å; F112-M229 HydrophobicContact CE2-SD 4.49Å; F112-M229 HydrophobicContact CG-CB 4.06Å; F112-M229 HydrophobicContact CG-CE 3.59Å; V113-M229 PolarHBondContact N-O 3.21Å; F208-M229 HydrophobicContact CB-CB 3.84Å; F208-M229 HydrophobicContact CB-CG 3.61Å; F208-M229 HydrophobicContact CB-SD 4.4Å; F208-M229 HydrophobicContact CD2-SD 4.47Å; F208-M229 HydrophobicContact CG-CB 4.48Å; F208-M229 HydrophobicContact CG-CG 4.14Å; F208-M229 HydrophobicContact CG-SD 4.3Å; V227-M229 HydrophobicContact CG1-CG 4Å; M229-F240 HydrophobicContact SD-CE1 4.1Å; M229-I244 HydrophobicContact CE-CD1 3.32Å; M229-I244 HydrophobicContact SD-CD1 3.47Å; M229-I244 WeakPolarHBondContact SD-CD1 3.47Å; M229-I252 HydrophobicContact CE-CD1 3.5Å; M229-I252 VanDerWaalsContact CE-CD1 3.5Å
230L86.7Confident82.3Confident13 Ų1327.3 Ų27.37%0.06815%0.145CC..EExtended strand (participates in β ladder)trans-12462.5-170.7-60.5-176.5000110.9V113 K121 V124 A125 F207 F208 I228V113-L230 HydrophobicContact CB-CD2 3.96Å; V113-L230 HydrophobicContact CG2-CD2 4.22Å; V113-L230 CarbonylContact O-C 3.51Å; K121-L230 HydrophobicContact CB-CD2 4.5Å; K121-L230 HydrophobicContact CD-CB 4.15Å; K121-L230 VanDerWaalsContact CE-O 3.27Å; K121-L230 WeakPolarHBondContact CE-O 3.22Å; V124-L230 HydrophobicContact CB-CD2 4.19Å; V124-L230 HydrophobicContact CG1-CD2 4.28Å; A125-L230 HydrophobicContact CB-CD1 3.99Å; F207-L230 HydrophobicContact CB-CD1 4.43Å; F207-L230 HydrophobicContact CD1-CD1 3.81Å; F207-L230 HydrophobicContact CD1-CG 4.31Å; F207-L230 HydrophobicContact CG-CD1 4.47Å; F208-L230 CarbonylContact O-C 3.55Å; F208-L230 PolarHBondContact O-N 2.79Å; I228-L230 HydrophobicContact CG2-CD2 4.07Å; I228-L230 HydrophobicContact CG2-CG 4.47Å
231S81.8Confident82.6Confident7 Ų726 Ų265%0.04914%0.139CC..EExtended strand (participates in β ladder)trans-78.9168.3-176.3-165.40000113.1V113 A115 K121V113-S231 PolarHBondContact O-N 3.17Å; A115-S231 PolarHBondContact N-O 3.03Å; K121-S231 WeakPolarHBondContact CD-O 3.26Å; K121-S231 WeakPolarHBondContact CE-O 3.16Å; K121-S231 PolarHBondContact NZ-O 2.84Å
232A76.6Confident82.8Confident24 Ų2426.4 Ų26.420%0.19814%0.141CC..  trans-65.1175155.300000110.4A115 V234A115-A232 CarbonylContact O-C 3.5Å; A115-A232 VanDerWaalsContact O-CA 3.24Å; A115-A232 WeakPolarHBondContact O-CA 3.34Å; A232-V234 PolarHBondContact O-N 2.99Å
233T75.2Confident83.1Confident24 Ų2424.6 Ų24.615%0.14713%0.129CC..  trans-64.1129.6163.647.20000110.3A115 H116A115-T233 PolarHBondContact O-N 2.72Å; H116-T233 PolarHBondContact ND1-OG1 3.14Å
234V73.4Confident83.3Confident16 Ų1621 Ų2110%0.09711%0.109CC..  trans-138.4158.2177.3-159.10000108.1A232 I237 P510 I512A232-V234 PolarHBondContact O-N 2.99Å; V234-I237 HydrophobicContact CB-CG1 4.41Å; V234-I237 WeakPolarHBondContact O-CD1 3.42Å; V234-I237 WeakPolarHBondContact O-CG1 3.03Å; V234-P510 VanDerWaalsContact CG1-O 3.26Å; V234-P510 WeakPolarHBondContact CG1-O 3.4Å; V234-I512 HydrophobicContact CB-CG1 4.35Å; V234-I512 HydrophobicContact CG1-CD1 4.43Å; V234-I512 HydrophobicContact CG1-CG1 3.69Å
235D74.5Confident83.6Confident34 Ų3416.6 Ų16.618%0.1829%0.09CC..SBendtrans-75.7163.1166.9-128.918000110.5I237 K508 K511D235-I237 VanDerWaalsContact C-N 3.28Å; D235-I237 PolarHBondContact O-N 3.1Å; D235-I237 VanDerWaalsContact O-N 3.15Å; D235-K508 IonicContact OD1-NZ 2.68Å; D235-K508 PolarHBondContact OD1-NZ 3.24Å; D235-K508 VanDerWaalsContact OD1-NZ 3.16Å; D235-K508 WeakPolarHBondContact OD2-CD 3.47Å; D235-K508 IonicContact OD2-NZ 2.75Å; D235-K508 PolarHBondContact OD2-NZ 3.33Å; D235-K511 HydrophobicContact CB-CG 4.25Å
236D74.9Confident83.6Confident47 Ų4719.3 Ų19.325%0.25110%0.1SC..  trans54.126.7175.5-45.3-29.2000117.7L238 E239 K511D236-L238 PolarHBondContact O-N 3.09Å; D236-E239 PolarHBondContact O-N 2.85Å; D236-K511 IonicContact OD1-NZ 2.84Å; D236-K511 PolarHBondContact OD1-NZ 2.65Å; D236-K511 WeakPolarHBondContact OD2-CB 3.48Å; D236-K511 WeakPolarHBondContact OD2-CD 3.18Å; D236-K511 VanDerWaalsContact OD2-CE 3.27Å; D236-K511 WeakPolarHBondContact OD2-CE 3.32Å; D236-K511 WeakPolarHBondContact OD2-CG 3.25Å; D236-K511 IonicContact OD2-NZ 3.51Å; D236-K511 PolarHBondContact OD2-NZ 3.24Å
237I82.6Confident83.6Confident8 Ų817.7 Ų17.74%0.0419%0.093CC..Hα-helixtrans-51.3-34.8179.7-59.4149000112.4F112 A114 V234 D235 E239 F240 A241 V254 K256F112-I237 HydrophobicContact CD1-CG2 4.25Å; F112-I237 HydrophobicContact CD2-CG2 3.63Å; F112-I237 HydrophobicContact CE1-CG2 4.18Å; F112-I237 HydrophobicContact CE2-CG2 3.55Å; F112-I237 HydrophobicContact CG-CG2 3.99Å; F112-I237 HydrophobicContact CZ-CG2 3.85Å; A114-I237 HydrophobicContact CB-CD1 3.38Å; A114-I237 HydrophobicContact CB-CG1 3.99Å; A114-I237 HydrophobicContact CB-CG2 4.18Å; V234-I237 HydrophobicContact CB-CG1 4.41Å; V234-I237 WeakPolarHBondContact O-CD1 3.42Å; V234-I237 WeakPolarHBondContact O-CG1 3.03Å; D235-I237 VanDerWaalsContact C-N 3.28Å; D235-I237 PolarHBondContact O-N 3.1Å; D235-I237 VanDerWaalsContact O-N 3.15Å; I237-E239 PolarHBondContact O-N 2.71Å; I237-F240 PolarHBondContact O-N 2.96Å; I237-A241 WeakPolarHBondContact O-CB 3.45Å; I237-A241 PolarHBondContact O-N 2.86Å; I237-V254 HydrophobicContact CB-CG1 4.32Å; I237-V254 HydrophobicContact CG2-CG1 3.46Å; I237-V254 VanDerWaalsContact CG2-CG1 3.46Å; I237-K256 HydrophobicContact CD1-CD 4.07Å; I237-K256 HydrophobicContact CD1-CG 4.17Å
238L86.3Confident83.4Confident34 Ų3417.9 Ų17.918%0.1789%0.094CC..Hα-helixtrans-64.8-34.2-179.7-58.9-176.2000113.3V64 D236 D242 V254V64-L238 HydrophobicContact CG1-CD2 4.25Å; D236-L238 PolarHBondContact O-N 3.09Å; L238-D242 VanDerWaalsContact O-CB 3.31Å; L238-D242 WeakPolarHBondContact O-CB 3.36Å; L238-D242 PolarHBondContact O-N 2.83Å; L238-V254 HydrophobicContact CD2-CB 3.88Å; L238-V254 HydrophobicContact CD2-CG1 3.98Å; L238-V254 HydrophobicContact CD2-CG2 3.89Å
239E83.5Confident83.3Confident43 Ų4328.5 Ų28.520%0.20113%0.134CC..Hα-helixtrans-69-45.2177.3168.7158.7-134.100111.6D236 I237 A241 D242 W243 Y542 N545 R549D236-E239 PolarHBondContact O-N 2.85Å; I237-E239 PolarHBondContact O-N 2.71Å; E239-A241 VanDerWaalsContact C-N 3.31Å; E239-A241 PolarHBondContact O-N 3.32Å; E239-D242 PolarHBondContact O-N 3.34Å; E239-W243 PolarHBondContact O-N 3.28Å; E239-Y542 HydrophobicContact CG-CE2 4.05Å; E239-N545 PolarHBondContact OE1-ND2 3.2Å; E239-N545 VanDerWaalsContact OE1-ND2 3.08Å; E239-R549 VanDerWaalsContact CG-NH1 3.28Å; E239-R549 WeakPolarHBondContact OE1-CD 3.14Å; E239-R549 IonicContact OE1-CZ 2.85Å; E239-R549 IonicContact OE1-NE 3.71Å; E239-R549 PolarHBondContact OE1-NE 3.29Å; E239-R549 IonicContact OE1-NH1 3.32Å; E239-R549 PolarHBondContact OE1-NH1 3.47Å; E239-R549 IonicContact OE2-NH1 2.65Å
240F83.6Confident83.1Confident15 Ų1532.2 Ų32.27%0.06615%0.148CC..Hα-helixtrans-68.1-33.8177.8-165.9-98.2000111.7F112 F208 L218 M229 I237 W243 I244 I512 Y542F112-F240 HydrophobicContact CE2-CB 4.39Å; F112-F240 AromaticContact CE2-CD1 3.74Å; F112-F240 HydrophobicContact CE2-CD1 3.74Å; F112-F240 HydrophobicContact CZ-CD1 4.33Å; F208-F240 HydrophobicContact CZ-CE1 4.49Å; F208-F240 HydrophobicContact CZ-CZ 4.41Å; L218-F240 HydrophobicContact CD1-CE1 4.42Å; L218-F240 HydrophobicContact CD1-CZ 4.26Å; M229-F240 HydrophobicContact SD-CE1 4.1Å; I237-F240 PolarHBondContact O-N 2.96Å; F240-W243 AromaticContact CD2-CE3 3.94Å; F240-W243 HydrophobicContact CD2-CE3 3.94Å; F240-W243 HydrophobicContact CD2-CZ3 4.27Å; F240-W243 HydrophobicContact CE1-CZ3 4.34Å; F240-W243 AromaticContact CE2-CE3 3.78Å; F240-W243 HydrophobicContact CE2-CE3 3.78Å; F240-W243 AromaticContact CE2-CZ3 3.64Å; F240-W243 HydrophobicContact CE2-CZ3 3.64Å; F240-W243 HydrophobicContact CG-CE3 4.41Å; F240-W243 HydrophobicContact CZ-CE3 4.14Å; F240-W243 AromaticContact CZ-CZ3 3.69Å; F240-W243 HydrophobicContact CZ-CZ3 3.69Å; F240-I244 HydrophobicContact CD1-CD1 3.7Å; F240-I244 HydrophobicContact CE1-CD1 3.45Å; F240-I244 VanDerWaalsContact CE1-CD1 3.45Å; F240-I244 HydrophobicContact CZ-CD1 4.21Å; F240-I244 WeakPolarHBondContact O-CG1 3.41Å; F240-I244 PolarHBondContact O-N 2.76Å; F240-I244 VanDerWaalsContact O-N 3.14Å; F240-I512 HydrophobicContact CB-CD1 3.89Å; F240-I512 HydrophobicContact CD1-CD1 4.36Å; F240-I512 HydrophobicContact CD2-CD1 4.42Å; F240-I512 HydrophobicContact CD2-CG2 3.71Å; F240-I512 HydrophobicContact CE2-CG2 3.95Å; F240-I512 HydrophobicContact CG-CD1 3.99Å; F240-I512 HydrophobicContact CG-CG2 4.33Å; F240-Y542 HydrophobicContact CD2-CD1 4.09Å; F240-Y542 HydrophobicContact CD2-CD2 4.11Å; F240-Y542 AromaticContact CD2-CE1 3.91Å; F240-Y542 HydrophobicContact CD2-CE1 3.91Å; F240-Y542 AromaticContact CD2-CE2 3.89Å; F240-Y542 HydrophobicContact CD2-CE2 3.89Å; F240-Y542 HydrophobicContact CD2-CG 4.21Å; F240-Y542 AromaticContact CD2-CZ 3.8Å; F240-Y542 HydrophobicContact CE2-CD1 4.19Å; F240-Y542 HydrophobicContact CE2-CE1 4.4Å; F240-Y542 HydrophobicContact CE2-CG 4.3Å
241A87.7Confident83.1Confident0 Ų036.5 Ų36.50%017%0.167CC..Hα-helixtrans-64.3-48.6171.600000111.9V64 F112 I237 E239 W243 I244 G245 I252 V254V64-A241 HydrophobicContact CG1-CB 4.41Å; F112-A241 HydrophobicContact CD2-CB 4.13Å; I237-A241 WeakPolarHBondContact O-CB 3.45Å; I237-A241 PolarHBondContact O-N 2.86Å; E239-A241 VanDerWaalsContact C-N 3.31Å; E239-A241 PolarHBondContact O-N 3.32Å; A241-W243 PolarHBondContact O-N 2.81Å; A241-I244 PolarHBondContact O-N 2.82Å; A241-I244 VanDerWaalsContact O-N 3.15Å; A241-G245 PolarHBondContact O-N 3.06Å; A241-I252 HydrophobicContact CB-CG2 4.19Å; A241-I252 VanDerWaalsContact O-CG2 3.25Å; A241-I252 WeakPolarHBondContact O-CG2 3.33Å; A241-V254 HydrophobicContact CB-CG2 3.43Å; A241-V254 VanDerWaalsContact CB-CG2 3.43Å
242D87.2Confident83.5Confident14 Ų1436.3 Ų36.38%0.07517%0.166CC..Hα-helixtrans-59.9-43.7177.2165.244.9000112.2L61 V64 L238 E239 I244 G245 R246 R549L61-D242 HydrophobicContact CD2-CB 3.7Å; V64-D242 VanDerWaalsContact CG2-CA 3.5Å; V64-D242 HydrophobicContact CG2-CB 3.74Å; L238-D242 VanDerWaalsContact O-CB 3.31Å; L238-D242 WeakPolarHBondContact O-CB 3.36Å; L238-D242 PolarHBondContact O-N 2.83Å; E239-D242 PolarHBondContact O-N 3.34Å; D242-I244 VanDerWaalsContact C-N 3.35Å; D242-I244 PolarHBondContact O-N 2.99Å; D242-G245 PolarHBondContact O-N 3.45Å; D242-R246 VanDerWaalsContact CG-NE 3.33Å; D242-R246 VanDerWaalsContact CG-NH2 3.33Å; D242-R246 WeakPolarHBondContact O-CB 3.44Å; D242-R246 WeakPolarHBondContact O-CG 3.42Å; D242-R246 PolarHBondContact O-N 3.18Å; D242-R246 IonicContact OD1-CZ 2.76Å; D242-R246 IonicContact OD1-NE 2.66Å; D242-R246 PolarHBondContact OD1-NE 3.34Å; D242-R246 IonicContact OD1-NH2 3.25Å; D242-R246 IonicContact OD2-CZ 3.21Å; D242-R246 IonicContact OD2-NE 3.55Å; D242-R246 PolarHBondContact OD2-NE 3.04Å; D242-R246 IonicContact OD2-NH2 3.9Å; D242-R246 PolarHBondContact OD2-NH2 2.96Å; D242-R549 IonicContact OD2-CZ 3.44Å; D242-R549 IonicContact OD2-NE 3.83Å; D242-R549 PolarHBondContact OD2-NE 3.28Å; D242-R549 IonicContact OD2-NH2 2.71Å; D242-R549 PolarHBondContact OD2-NH2 3.16Å
243W87.7Confident84.2Confident3 Ų337.2 Ų37.21%0.01116%0.164CC..Hα-helixtrans-55.9-47.5172.2170.370.1000111.8E215 L218 I219 E239 F240 A241 R246 I247 K540 Y542E215-W243 HydrophobicContact CG-CH2 3.65Å; E215-W243 HydrophobicContact CG-CZ2 3.92Å; L218-W243 HydrophobicContact CB-CH2 4.3Å; L218-W243 HydrophobicContact CD1-CH2 4.32Å; L218-W243 HydrophobicContact CD1-CZ3 4.03Å; I219-W243 HydrophobicContact CG1-CZ2 4.2Å; E239-W243 PolarHBondContact O-N 3.28Å; F240-W243 AromaticContact CD2-CE3 3.94Å; F240-W243 HydrophobicContact CD2-CE3 3.94Å; F240-W243 HydrophobicContact CD2-CZ3 4.27Å; F240-W243 HydrophobicContact CE1-CZ3 4.34Å; F240-W243 AromaticContact CE2-CE3 3.78Å; F240-W243 HydrophobicContact CE2-CE3 3.78Å; F240-W243 AromaticContact CE2-CZ3 3.64Å; F240-W243 HydrophobicContact CE2-CZ3 3.64Å; F240-W243 HydrophobicContact CG-CE3 4.41Å; F240-W243 HydrophobicContact CZ-CE3 4.14Å; F240-W243 AromaticContact CZ-CZ3 3.69Å; F240-W243 HydrophobicContact CZ-CZ3 3.69Å; A241-W243 PolarHBondContact O-N 2.81Å; W243-R246 PolarHBondContact O-N 2.99Å; W243-I247 HydrophobicContact CD2-CD1 4.4Å; W243-I247 HydrophobicContact CH2-CD1 3.86Å; W243-I247 HydrophobicContact CZ2-CD1 3.61Å; W243-I247 HydrophobicContact CZ3-CD1 4.41Å; W243-I247 WeakPolarHBondContact O-CG2 3.38Å; W243-I247 PolarHBondContact O-N 3.13Å; W243-K540 WeakPolarHBondContact CZ2-O 3.41Å; W243-K540 PolarHBondContact NE1-O 3.21Å; W243-Y542 HydrophobicContact CB-CD2 3.93Å; W243-Y542 HydrophobicContact CB-CE2 4.2Å; W243-Y542 AromaticContact CD2-CD2 3.65Å; W243-Y542 HydrophobicContact CD2-CD2 3.65Å; W243-Y542 HydrophobicContact CD2-CG 4.17Å; W243-Y542 AromaticContact CE3-CD2 3.92Å; W243-Y542 HydrophobicContact CE3-CD2 3.92Å; W243-Y542 HydrophobicContact CE3-CG 4.27Å; W243-Y542 AromaticContact CG-CD2 3.61Å; W243-Y542 HydrophobicContact CG-CD2 3.61Å; W243-Y542 HydrophobicContact CG-CE2 4.36Å
244I87Confident84.9Confident5 Ų536.3 Ų36.33%0.02616%0.159CC..Hα-helixtrans-64.5-43.2177.6-72.8169.5000111.9L218 M229 F240 A241 D242 R246 I247 K248 I252L218-I244 HydrophobicContact CD1-CD1 3.71Å; L218-I244 HydrophobicContact CD1-CG1 4.26Å; L218-I244 HydrophobicContact CD2-CD1 4.5Å; M229-I244 HydrophobicContact CE-CD1 3.32Å; M229-I244 HydrophobicContact SD-CD1 3.47Å; M229-I244 WeakPolarHBondContact SD-CD1 3.47Å; F240-I244 HydrophobicContact CD1-CD1 3.7Å; F240-I244 HydrophobicContact CE1-CD1 3.45Å; F240-I244 VanDerWaalsContact CE1-CD1 3.45Å; F240-I244 HydrophobicContact CZ-CD1 4.21Å; F240-I244 WeakPolarHBondContact O-CG1 3.41Å; F240-I244 PolarHBondContact O-N 2.76Å; F240-I244 VanDerWaalsContact O-N 3.14Å; A241-I244 PolarHBondContact O-N 2.82Å; A241-I244 VanDerWaalsContact O-N 3.15Å; D242-I244 VanDerWaalsContact C-N 3.35Å; D242-I244 PolarHBondContact O-N 2.99Å; I244-R246 VanDerWaalsContact C-N 3.32Å; I244-R246 PolarHBondContact O-N 2.87Å; I244-I247 WeakPolarHBondContact O-CG1 3.43Å; I244-I247 PolarHBondContact O-N 2.79Å; I244-K248 WeakPolarHBondContact O-CB 3.31Å; I244-K248 PolarHBondContact O-N 2.62Å; I244-I252 HydrophobicContact CG2-CD1 4.06Å
245G88Confident85.7Confident3 Ų335.5 Ų35.53%0.03115%0.154CC..Hα-helixtrans-60.1-41.7177.100000112.1A241 D242 R249 R250A241-G245 PolarHBondContact O-N 3.06Å; D242-G245 PolarHBondContact O-N 3.45Å; G245-R249 VanDerWaalsContact O-CA 3.26Å; G245-R249 WeakPolarHBondContact O-CA 3.23Å; G245-R249 PolarHBondContact O-N 2.77Å; G245-R250 WeakPolarHBondContact CA-O 3.37Å; G245-R250 PolarHBondContact O-N 3.24Å
246R86Confident86.3Confident59 Ų5937 Ų3722%0.22316%0.159CC..Hα-helixtrans-66.2-49.9174.6-78-175.4-80.8113.20.7113D242 W243 I244 K248 R249 N545 F548D242-R246 VanDerWaalsContact CG-NE 3.33Å; D242-R246 VanDerWaalsContact CG-NH2 3.33Å; D242-R246 WeakPolarHBondContact O-CB 3.44Å; D242-R246 WeakPolarHBondContact O-CG 3.42Å; D242-R246 PolarHBondContact O-N 3.18Å; D242-R246 IonicContact OD1-CZ 2.76Å; D242-R246 IonicContact OD1-NE 2.66Å; D242-R246 PolarHBondContact OD1-NE 3.34Å; D242-R246 IonicContact OD1-NH2 3.25Å; D242-R246 IonicContact OD2-CZ 3.21Å; D242-R246 IonicContact OD2-NE 3.55Å; D242-R246 PolarHBondContact OD2-NE 3.04Å; D242-R246 IonicContact OD2-NH2 3.9Å; D242-R246 PolarHBondContact OD2-NH2 2.96Å; W243-R246 PolarHBondContact O-N 2.99Å; I244-R246 VanDerWaalsContact C-N 3.32Å; I244-R246 PolarHBondContact O-N 2.87Å; R246-K248 VanDerWaalsContact C-N 3.26Å; R246-K248 PolarHBondContact O-N 2.94Å; R246-R249 PolarHBondContact O-N 2.97Å; R246-N545 PolarHBondContact NH1-OD1 3.32Å; R246-N545 PolarHBondContact NH2-OD1 3.01Å; R246-F548 VanDerWaalsContact NH1-CD1 3.31Å
247I86.9Confident86.9Confident16 Ų1635.1 Ų35.18%0.08215%0.149CC..Hα-helixtrans-68.5-23.2-178.169.6-178.5000113.4I219 W243 I244 K540I219-I247 HydrophobicContact CG1-CD1 4.26Å; W243-I247 HydrophobicContact CD2-CD1 4.4Å; W243-I247 HydrophobicContact CH2-CD1 3.86Å; W243-I247 HydrophobicContact CZ2-CD1 3.61Å; W243-I247 HydrophobicContact CZ3-CD1 4.41Å; W243-I247 WeakPolarHBondContact O-CG2 3.38Å; W243-I247 PolarHBondContact O-N 3.13Å; I244-I247 WeakPolarHBondContact O-CG1 3.43Å; I244-I247 PolarHBondContact O-N 2.79Å; I247-K540 HydrophobicContact CG2-CB 4.04Å; I247-K540 HydrophobicContact CG2-CG 4.23Å
248K84.3Confident86.8Confident9 Ų939.8 Ų39.84%0.03917%0.173CC..Hα-helixtrans-96.7-12.8174.6-64.6-64.6148.9-142.50114.9L218 I219 L221 I244 R246 R250L218-K248 WeakPolarHBondContact O-CE 3.45Å; L218-K248 PolarHBondContact O-NZ 2.86Å; I219-K248 PolarHBondContact O-NZ 2.75Å; L221-K248 PolarHBondContact O-NZ 3.09Å; I244-K248 WeakPolarHBondContact O-CB 3.31Å; I244-K248 PolarHBondContact O-N 2.62Å; R246-K248 VanDerWaalsContact C-N 3.26Å; R246-K248 PolarHBondContact O-N 2.94Å; K248-R250 VanDerWaalsContact C-N 3.33Å; K248-R250 HydrophobicContact CB-CB 4.32Å
249R86.7Confident86.6Confident224 Ų22445.9 Ų45.985%0.84520%0.201SC*.THydrogen-bonded Turntrans52.748.7-169.9-57.1179.9177.6176.7-2.6111.8G245 R246G245-R249 VanDerWaalsContact O-CA 3.26Å; G245-R249 WeakPolarHBondContact O-CA 3.23Å; G245-R249 PolarHBondContact O-N 2.77Å; R246-R249 PolarHBondContact O-N 2.97Å
250R84.7Confident86.7Confident79 Ų7945.7 Ų45.730%0.29820%0.199SC..SBendtrans-141.7146.7-177.4-78.1-171.7160.2-175.7-4.6111.6N223 H224 V225 G245 K248N223-R250 PolarHBondContact O-NE 3.36Å; N223-R250 VanDerWaalsContact O-NE 3.08Å; N223-R250 PolarHBondContact O-NH1 2.93Å; N223-R250 PolarHBondContact O-NH2 3.11Å; H224-R250 PolarHBondContact O-NH1 3.07Å; H224-R250 PolarHBondContact O-NH2 3.1Å; V225-R250 PolarHBondContact O-NH1 2.62Å; G245-R250 WeakPolarHBondContact CA-O 3.37Å; G245-R250 PolarHBondContact O-N 3.24Å; K248-R250 VanDerWaalsContact C-N 3.33Å; K248-R250 HydrophobicContact CB-CB 4.32Å
251H87Confident86.8Confident103 Ų10347.7 Ų47.748%0.47721%0.213SC..  trans-67.3141.4169.3-62.9-63.4000110.9N63 Y253N63-H251 PolarHBondContact O-ND1 3.37Å; H251-Y253 HydrophobicContact CB-CE2 4.35Å
252I88.9Confident86.8Confident2 Ų248 Ų481%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-137.2120.9176.3-179.7166.5000109.2V64 S110 F112 M229 A241 I244V64-I252 HydrophobicContact CG2-CG2 4.47Å; S110-I252 WeakPolarHBondContact O-CA 3.48Å; F112-I252 HydrophobicContact CB-CD1 4.24Å; F112-I252 HydrophobicContact CB-CG1 4.45Å; M229-I252 HydrophobicContact CE-CD1 3.5Å; M229-I252 VanDerWaalsContact CE-CD1 3.5Å; A241-I252 HydrophobicContact CB-CG2 4.19Å; A241-I252 VanDerWaalsContact O-CG2 3.25Å; A241-I252 WeakPolarHBondContact O-CG2 3.33Å; I244-I252 HydrophobicContact CG2-CD1 4.06Å
253Y91.3Very high87.1Confident44 Ų4449.2 Ų49.217%0.17322%0.224CC..EExtended strand (participates in β ladder)trans-92.1135.3-178.4-64.5-107.7000109.7S65 L67 H104 D109 S110 F112 H251S65-Y253 WeakPolarHBondContact OG-CD1 3.5Å; S65-Y253 WeakPolarHBondContact OG-CE1 3.5Å; L67-Y253 HydrophobicContact CD1-CD1 4.32Å; H104-Y253 AromaticContact CE1-CD1 3.16Å; H104-Y253 WeakPolarHBondContact CE1-CD1 3.41Å; H104-Y253 AromaticContact CE1-CD2 3.94Å; H104-Y253 AromaticContact CE1-CE1 3.19Å; H104-Y253 WeakPolarHBondContact CE1-CE1 3.48Å; H104-Y253 AromaticContact CE1-CE2 3.97Å; H104-Y253 AromaticContact CE1-CG 3.55Å; H104-Y253 AromaticContact CE1-CZ 3.59Å; H104-Y253 AromaticContact ND1-CD1 3.79Å; H104-Y253 AromaticContact ND1-CD2 3.7Å; H104-Y253 AromaticContact ND1-CE1 3.87Å; H104-Y253 AromaticContact ND1-CE2 3.8Å; H104-Y253 AromaticContact ND1-CG 3.7Å; H104-Y253 AromaticContact ND1-CZ 3.86Å; H104-Y253 AromaticContact NE2-CD1 3.53Å; H104-Y253 AromaticContact NE2-CE1 3.95Å; H104-Y253 AromaticContact NE2-CG 3.93Å; D109-Y253 HydrophobicContact CB-CD2 3.8Å; D109-Y253 HydrophobicContact CB-CE2 3.85Å; D109-Y253 WeakPolarHBondContact OD1-CE2 3.33Å; D109-Y253 WeakPolarHBondContact OD2-CE2 3.01Å; S110-Y253 PolarHBondContact O-N 3.14Å; F112-Y253 PolarHBondContact N-O 3.13Å; H251-Y253 HydrophobicContact CB-CE2 4.35Å
254V90.5Very high87.4Confident4 Ų449.9 Ų49.92%0.02423%0.227CC..EExtended strand (participates in β ladder)trans-104.1122.8-178.7-178.60000109.7V64 F112 I237 L238 A241V64-V254 HydrophobicContact CG1-CG2 4.07Å; F112-V254 HydrophobicContact CB-CG2 4.27Å; F112-V254 WeakPolarHBondContact O-CA 3.39Å; I237-V254 HydrophobicContact CB-CG1 4.32Å; I237-V254 HydrophobicContact CG2-CG1 3.46Å; I237-V254 VanDerWaalsContact CG2-CG1 3.46Å; L238-V254 HydrophobicContact CD2-CB 3.88Å; L238-V254 HydrophobicContact CD2-CG1 3.98Å; L238-V254 HydrophobicContact CD2-CG2 3.89Å; A241-V254 HydrophobicContact CB-CG2 3.43Å; A241-V254 VanDerWaalsContact CB-CG2 3.43Å
255L90.6Very high87.7Confident0 Ų051.9 Ų51.90%024%0.236CC..EExtended strand (participates in β ladder)trans-118.2114.5179.6-63.1174.3000109.2L67 E100 A101 L111 F112 V113 A114L67-L255 HydrophobicContact CB-CD2 4.21Å; L67-L255 HydrophobicContact CD1-CD2 4.23Å; E100-L255 HydrophobicContact CB-CD1 4.02Å; E100-L255 HydrophobicContact CB-CD2 3.81Å; E100-L255 HydrophobicContact CG-CD2 4.41Å; A101-L255 HydrophobicContact CB-CD1 3.7Å; L111-L255 HydrophobicContact CD2-CD1 4.17Å; F112-L255 PolarHBondContact O-N 2.9Å; V113-L255 CarbonylContact C-O 3.52Å; V113-L255 WeakPolarHBondContact CA-O 3.45Å; V113-L255 HydrophobicContact CG2-CB 4.47Å; V113-L255 HydrophobicContact CG2-CD1 4.45Å; A114-L255 PolarHBondContact N-O 3.43Å
256K87.5Confident88Confident64 Ų6452.4 Ų52.428%0.27824%0.238SC..EExtended strand (participates in β ladder)trans-122.3125.2-168.8179.8-178.9167.6-1660110.6E68 A114 I237 L258E68-K256 WeakPolarHBondContact OE1-CD 3.24Å; E68-K256 IonicContact OE1-NZ 2.88Å; E68-K256 PolarHBondContact OE1-NZ 3.02Å; A114-K256 WeakPolarHBondContact O-CA 3.34Å; I237-K256 HydrophobicContact CD1-CD 4.07Å; I237-K256 HydrophobicContact CD1-CG 4.17Å; K256-L258 HydrophobicContact CD-CD2 4.45Å; K256-L258 HydrophobicContact CG-CD2 4.4Å
257T86.2Confident88.3Confident9 Ų951.7 Ų51.76%0.05524%0.237CC..  trans-93121.1173.967.40000110.4F97 A114 A115 H116F97-T257 HydrophobicContact CB-CG2 4.34Å; F97-T257 HydrophobicContact CD1-CG2 3.54Å; F97-T257 HydrophobicContact CD2-CG2 4.3Å; F97-T257 HydrophobicContact CE1-CG2 3.87Å; F97-T257 HydrophobicContact CG-CG2 3.78Å; F97-T257 HydrophobicContact CZ-CG2 4.4Å; A114-T257 PolarHBondContact O-N 3.45Å; A114-T257 VanDerWaalsContact O-N 3.13Å; A115-T257 VanDerWaalsContact CA-OG1 3.24Å; A115-T257 WeakPolarHBondContact CA-OG1 3.31Å; A115-T257 HydrophobicContact CB-CG2 3.59Å; A115-T257 WeakPolarHBondContact CB-OG1 3.33Å; H116-T257 PolarHBondContact N-OG1 3.45Å
258L81.6Confident88.5Confident105 Ų10551 Ų5155%0.5523%0.233SC..SBendtrans-81.2-16178.1-58.5-179.9000113.9K256K256-L258 HydrophobicContact CD-CD2 4.45Å; K256-L258 HydrophobicContact CG-CD2 4.4Å
259Q82.3Confident88.8Confident163 Ų16350.5 Ų50.576%0.76223%0.231SC*.SBendtrans-138.1154.3-176.7-64.4-176.61.800111.3H116H116-Q259 VanDerWaalsContact CD2-C 3.46Å; H116-Q259 PolarHBondContact CD2-O 2.96Å
260R85.2Confident88.7Confident39 Ų3940.5 Ų40.515%0.14720%0.195CC..  trans-84.2134.9176.6-62.1171.864.2123.8-4.5110.7H116 V262 L264 A476H116-R260 HydrophobicContact CB-CG 3.95Å; R260-V262 VanDerWaalsContact CB-O 3.22Å; R260-V262 WeakPolarHBondContact CB-O 3.34Å; R260-V262 PolarHBondContact NE-O 2.86Å; R260-V262 VanDerWaalsContact NE-O 3.16Å; R260-V262 PolarHBondContact O-N 2.73Å; R260-L264 VanDerWaalsContact CZ-CG 3.49Å; R260-L264 VanDerWaalsContact NH1-CD1 3.29Å; R260-A476 PolarHBondContact NH2-O 3.26Å; R260-A476 VanDerWaalsContact NH2-O 3.09Å
261P84.9Confident88.6Confident57 Ų5736.8 Ų36.837%0.3718%0.181SC..SBendtrans-61.3-25.3171.9-28.238.3000114.5A119A119-P261 HydrophobicContact CB-CG 4.19Å
262V89.1Confident88.1Confident6 Ų635.5 Ų35.54%0.03617%0.174CC..SBendtrans-116.9109.6162.4-172.20000108.2R260 R479R260-V262 VanDerWaalsContact CB-O 3.22Å; R260-V262 WeakPolarHBondContact CB-O 3.34Å; R260-V262 PolarHBondContact NE-O 2.86Å; R260-V262 VanDerWaalsContact NE-O 3.16Å; R260-V262 PolarHBondContact O-N 2.73Å; V262-R479 HydrophobicContact CG2-CB 4.38Å
263P92.2Very high87.4Confident40 Ų4038.9 Ų38.926%0.2619%0.192SC..  trans-70.7158.217829.7-34.2000111.1R286 T484 G485P263-R286 HydrophobicContact CB-CB 4.05Å; P263-R286 VanDerWaalsContact CB-O 3.3Å; P263-R286 WeakPolarHBondContact CB-O 3.44Å; P263-R286 HydrophobicContact CG-CB 4.07Å; P263-T484 HydrophobicContact CG-CG2 4.31Å; P263-T484 CarbonylContact O-C 3.59Å; P263-T484 WeakPolarHBondContact O-CA 3.41Å; P263-G485 PolarHBondContact O-N 2.86Å
264L93.6Very high86.5Confident16 Ų1639.6 Ų39.68%0.08421%0.213CC..EExtended strand (participates in β ladder)trans-103.8149.2-179.8-66.6-176.4000112.3R260 H266 N285 R286 A473 A476 G485 V487R260-L264 VanDerWaalsContact CZ-CG 3.49Å; R260-L264 VanDerWaalsContact NH1-CD1 3.29Å; L264-H266 VanDerWaalsContact CB-NE2 3.31Å; L264-H266 WeakPolarHBondContact CB-NE2 3.29Å; L264-N285 CarbonylContact O-C 3.49Å; L264-R286 WeakPolarHBondContact O-CA 3.16Å; L264-A473 HydrophobicContact CD1-CB 3.95Å; L264-A476 HydrophobicContact CD2-CB 3.76Å; L264-G485 WeakPolarHBondContact CA-O 3.33Å; L264-G485 WeakPolarHBondContact CD2-O 3.36Å; L264-V487 HydrophobicContact CB-CG2 4.49Å; L264-V487 HydrophobicContact CD1-CG2 4Å; L264-V487 HydrophobicContact CD2-CG2 4Å; L264-V487 HydrophobicContact CG-CG2 4.39Å
265E94.5Very high85.8Confident47 Ų4748 Ų4822%0.2225%0.251CS..EExtended strand (participates in β ladder)trans-123.8121.2170-68.9177.1139.500108.1F267 V284 R286 T484 G485 V487E265-F267 HydrophobicContact CB-CE2 3.59Å; E265-F267 HydrophobicContact CB-CZ 3.96Å; E265-F267 WeakPolarHBondContact O-CD2 3.36Å; E265-F267 WeakPolarHBondContact O-CE2 3.39Å; E265-V284 WeakPolarHBondContact CA-O 3.4Å; E265-R286 HydrophobicContact CG-CB 3.92Å; E265-T484 HydrophobicContact CG-CG2 4.35Å; E265-T484 VanDerWaalsContact OE2-CB 3.27Å; E265-T484 WeakPolarHBondContact OE2-CB 3.43Å; E265-T484 WeakPolarHBondContact OE2-CG2 3.25Å; E265-T484 PolarHBondContact OE2-OG1 2.91Å; E265-G485 PolarHBondContact N-O 3.09Å; E265-V487 PolarHBondContact O-N 2.84Å
266H94.4Very high85.2Confident14 Ų1448.6 Ų48.67%0.06526%0.255CS..EExtended strand (participates in β ladder)trans-106.5134.9-171.4-59.5-110.2000110.2L264 L283 V284 Y469 V487L264-H266 VanDerWaalsContact CB-NE2 3.31Å; L264-H266 WeakPolarHBondContact CB-NE2 3.29Å; H266-L283 HydrophobicContact CB-CB 4.46Å; H266-L283 WeakPolarHBondContact O-CA 3.41Å; H266-L283 WeakPolarHBondContact O-CB 3.31Å; H266-L283 PolarHBondContact O-N 2.73Å; H266-V284 HydrophobicContact CB-CB 4Å; H266-V284 HydrophobicContact CB-CG2 4.42Å; H266-V284 PolarHBondContact N-O 3.24Å; H266-V284 PolarHBondContact O-N 2.95Å; H266-Y469 AromaticContact CE1-CE1 3.73Å; H266-Y469 AromaticContact ND1-CE1 3.8Å; H266-Y469 AromaticContact ND1-CZ 3.79Å; H266-Y469 PolarHBondContact ND1-OH 3.21Å; H266-V487 CarbonylContact C-O 3.51Å; H266-V487 WeakPolarHBondContact CA-O 3.37Å
267F92.9Very high84.8Confident44 Ų4447.7 Ų47.719%0.19325%0.251CS..EExtended strand (participates in β ladder)trans-134.9155.1-174.4-56.3-97.7000112E265 C280 I281 A282 T486 V487 I488 I489E265-F267 HydrophobicContact CB-CE2 3.59Å; E265-F267 HydrophobicContact CB-CZ 3.96Å; E265-F267 WeakPolarHBondContact O-CD2 3.36Å; E265-F267 WeakPolarHBondContact O-CE2 3.39Å; F267-C280 VanDerWaalsContact CB-SG 3.57Å; F267-I281 CarbonylContact C-O 3.55Å; F267-I281 VanDerWaalsContact CA-O 3.25Å; F267-I281 WeakPolarHBondContact CA-O 3.19Å; F267-A282 HydrophobicContact CD1-CB 3.86Å; F267-A282 HydrophobicContact CE1-CB 3.79Å; F267-T486 HydrophobicContact CD2-CG2 4Å; F267-T486 HydrophobicContact CE2-CG2 3.96Å; F267-V487 PolarHBondContact N-O 3.08Å; F267-I488 HydrophobicContact CB-CG1 4.44Å; F267-I488 CarbonylContact O-C 3.59Å; F267-I488 WeakPolarHBondContact O-CA 3.39Å; F267-I489 PolarHBondContact O-N 2.94Å
268L90.8Very high84.5Confident1 Ų154.9 Ų54.91%0.00528%0.278CS..EExtended strand (participates in β ladder)trans-110.1121171.8-164.773.5000108.7T270 C280 I281 L283 Y296 V299 I489 C491 V495 L501L268-T270 HydrophobicContact CD2-CG2 4.45Å; L268-C280 CarbonylContact O-C 3.58Å; L268-C280 WeakPolarHBondContact O-CA 3.4Å; L268-I281 HydrophobicContact CB-CB 4.41Å; L268-I281 PolarHBondContact N-O 3.1Å; L268-I281 PolarHBondContact O-N 2.8Å; L268-L283 HydrophobicContact CB-CD1 4.03Å; L268-L283 HydrophobicContact CB-CD2 4.09Å; L268-L283 HydrophobicContact CB-CG 4.05Å; L268-L283 HydrophobicContact CD1-CD1 4.38Å; L268-Y296 HydrophobicContact CD2-CD2 4.41Å; L268-Y296 HydrophobicContact CD2-CE2 4.22Å; L268-V299 HydrophobicContact CD2-CG1 4.3Å; L268-I489 HydrophobicContact CD1-CB 4.09Å; L268-I489 HydrophobicContact CD1-CG2 3.98Å; L268-C491 VanDerWaalsContact CD1-SG 3.53Å; L268-V495 HydrophobicContact CD2-CG1 3.94Å; L268-L501 HydrophobicContact CD1-CD1 4.47Å
269Y90.9Very high84.6Confident0 Ų053.3 Ų53.30%027%0.27CS..EExtended strand (participates in β ladder)trans-102.1121.4178.7-172.3-99.7000111.1K277 D279 C280 R325 T328 L329 I489 L490 C491Y269-K277 VanDerWaalsContact CE2-O 3.32Å; Y269-K277 WeakPolarHBondContact CE2-O 3.42Å; Y269-K277 PolarHBondContact OH-O 3.33Å; Y269-D279 WeakPolarHBondContact CA-O 3.5Å; Y269-D279 WeakPolarHBondContact CD2-O 3.32Å; Y269-C280 HydrophobicContact CD2-CB 4.1Å; Y269-R325 HydrophobicContact CD1-CG 4.42Å; Y269-R325 HydrophobicContact CE1-CG 4.17Å; Y269-T328 PolarHBondContact OH-OG1 3.05Å; Y269-T328 VanDerWaalsContact OH-OG1 3.08Å; Y269-L329 HydrophobicContact CD1-CB 4.43Å; Y269-L329 HydrophobicContact CD1-CD1 3.85Å; Y269-L329 HydrophobicContact CD2-CD1 3.8Å; Y269-L329 HydrophobicContact CE1-CB 3.92Å; Y269-L329 HydrophobicContact CE1-CD1 4.02Å; Y269-L329 HydrophobicContact CE2-CD1 3.98Å; Y269-L329 HydrophobicContact CG-CD1 3.72Å; Y269-L329 PolarHBondContact OH-N 3.38Å; Y269-I489 PolarHBondContact N-O 3Å; Y269-L490 HydrophobicContact CD1-CD2 3.98Å; Y269-L490 HydrophobicContact CG-CD2 4.3Å; Y269-C491 PolarHBondContact O-N 2.73Å
270T84.6Confident84.7Confident14 Ų1446.8 Ų46.89%0.08624%0.242CC..  trans-113.70.8-176.352.40000113.8L268 K272 D279 I281 V299 I303 C491L268-T270 HydrophobicContact CD2-CG2 4.45Å; T270-K272 WeakPolarHBondContact O-CG 3.29Å; T270-D279 PolarHBondContact N-O 3.31Å; T270-D279 WeakPolarHBondContact OG1-CB 3.3Å; T270-D279 PolarHBondContact OG1-O 2.84Å; T270-I281 HydrophobicContact CG2-CD1 3.91Å; T270-V299 HydrophobicContact CG2-CG1 3.69Å; T270-I303 HydrophobicContact CG2-CD1 3.62Å; T270-C491 HydrophobicContact CG2-CB 3.89Å
271G81.6Confident84.6Confident0 Ų046.3 Ų46.30%024%0.242CC..  trans-55.6152179.600000114.7S276 R325G271-S276 VanDerWaalsContact CA-O 3.24Å; G271-S276 WeakPolarHBondContact CA-O 3.34Å; G271-R325 WeakPolarHBondContact O-CG 3.06Å; G271-R325 PolarHBondContact O-NE 2.83Å
272K76.7Confident84.8Confident77 Ų7745.1 Ų45.134%0.33524%0.237SC..  trans-141.6-27.7-175.7-51-177.1-171.4172.50113.4T270 S276T270-K272 WeakPolarHBondContact O-CG 3.29Å; K272-S276 PolarHBondContact N-OG 3.26Å
273D74Confident84.7Confident72 Ų7244.9 Ų44.939%0.38524%0.235SC..SBendtrans-148.9-178.5-171.556.542.3000110.9H275 S276 K277 T328D273-H275 VanDerWaalsContact C-N 3.26Å; D273-H275 PolarHBondContact O-N 2.88Å; D273-H275 PolarHBondContact OD1-N 3.41Å; D273-S276 VanDerWaalsContact CG-OG 3.25Å; D273-S276 PolarHBondContact N-OG 3.1Å; D273-S276 CarbonylContact O-C 3.5Å; D273-S276 PolarHBondContact O-OG 3.18Å; D273-S276 WeakPolarHBondContact OD1-CB 3.43Å; D273-S276 PolarHBondContact OD1-N 3.4Å; D273-S276 PolarHBondContact OD1-OG 2.83Å; D273-K277 PolarHBondContact O-N 3.07Å; D273-K277 VanDerWaalsContact O-N 3.08Å; D273-T328 VanDerWaalsContact C-CG2 3.42Å; D273-T328 VanDerWaalsContact O-CG2 3.28Å; D273-T328 WeakPolarHBondContact O-CG2 3.24Å
274G72.4Confident84.6Confident59 Ų5943.1 Ų43.161%0.60822%0.224SC*.SBendtrans-65.4-23-178.600000114.9K277G274-K277 VanDerWaalsContact O-CB 3.28Å; G274-K277 WeakPolarHBondContact O-CB 3.26Å
275H75.1Confident84.4Confident180 Ų18044 Ų4483%0.83323%0.229SC*.SBendtrans-82.1-47.2179.3-57.4-72.8000110.6D273 K277D273-H275 VanDerWaalsContact C-N 3.26Å; D273-H275 PolarHBondContact O-N 2.88Å; D273-H275 PolarHBondContact OD1-N 3.41Å; H275-K277 PolarHBondContact O-N 3.25Å
276S78.3Confident84.1Confident13 Ų1348.5 Ų48.59%0.09124%0.244CC..G310 helixtrans-76.29.4173.158.30000113.8G271 K272 D273 R278 D279G271-S276 VanDerWaalsContact CA-O 3.24Å; G271-S276 WeakPolarHBondContact CA-O 3.34Å; K272-S276 PolarHBondContact N-OG 3.26Å; D273-S276 VanDerWaalsContact CG-OG 3.25Å; D273-S276 PolarHBondContact N-OG 3.1Å; D273-S276 CarbonylContact O-C 3.5Å; D273-S276 PolarHBondContact O-OG 3.18Å; D273-S276 WeakPolarHBondContact OD1-CB 3.43Å; D273-S276 PolarHBondContact OD1-N 3.4Å; D273-S276 PolarHBondContact OD1-OG 2.83Å; S276-R278 PolarHBondContact O-N 3.43Å; S276-R278 VanDerWaalsContact O-N 3.11Å; S276-D279 WeakPolarHBondContact CB-OD2 3.21Å; S276-D279 VanDerWaalsContact O-CB 3.3Å; S276-D279 WeakPolarHBondContact O-CB 3.47Å; S276-D279 PolarHBondContact O-N 3.15Å
277K79.2Confident83.7Confident45 Ų4553.8 Ų53.820%0.19627%0.268CS..G310 helixtrans-52-35.9-179.1-178.8-173.2-179-163.30112.8Y269 D273 G274 H275 S331 Y332 E335Y269-K277 VanDerWaalsContact CE2-O 3.32Å; Y269-K277 WeakPolarHBondContact CE2-O 3.42Å; Y269-K277 PolarHBondContact OH-O 3.33Å; D273-K277 PolarHBondContact O-N 3.07Å; D273-K277 VanDerWaalsContact O-N 3.08Å; G274-K277 VanDerWaalsContact O-CB 3.28Å; G274-K277 WeakPolarHBondContact O-CB 3.26Å; H275-K277 PolarHBondContact O-N 3.25Å; K277-S331 WeakPolarHBondContact CE-O 3.41Å; K277-S331 PolarHBondContact NZ-O 3.04Å; K277-Y332 VanDerWaalsContact CE-N 3.32Å; K277-E335 IonicContact NZ-OE2 2.78Å; K277-E335 PolarHBondContact NZ-OE2 3.35Å
278R81.2Confident83.2Confident161 Ų16153.3 Ų53.361%0.60828%0.275SS*.G310 helixtrans-95.77.2-176.3-67.8178.9173.9160.9-1.1113.8S276 C280 Y332 E335S276-R278 PolarHBondContact O-N 3.43Å; S276-R278 VanDerWaalsContact O-N 3.11Å; R278-C280 VanDerWaalsContact C-N 3.29Å; R278-C280 PolarHBondContact O-N 3.38Å; R278-Y332 HydrophobicContact CB-CE2 4.48Å; R278-Y332 HydrophobicContact CG-CD2 4.11Å; R278-Y332 HydrophobicContact CG-CE2 4.27Å; R278-E335 IonicContact CZ-OE1 3.3Å; R278-E335 VanDerWaalsContact CZ-OE1 3.3Å; R278-E335 IonicContact NE-OE1 3.05Å; R278-E335 PolarHBondContact NE-OE1 3.43Å; R278-E335 IonicContact NH2-OE1 2.71Å; R278-E335 PolarHBondContact NH2-OE1 2.86Å
279D82.4Confident83Confident72 Ų7258.1 Ų58.139%0.38530%0.301SS..  trans-75.378.8-176.2-66.58.7000111.5Y269 T270 S276Y269-D279 WeakPolarHBondContact CA-O 3.5Å; Y269-D279 WeakPolarHBondContact CD2-O 3.32Å; T270-D279 PolarHBondContact N-O 3.31Å; T270-D279 WeakPolarHBondContact OG1-CB 3.3Å; T270-D279 PolarHBondContact OG1-O 2.84Å; S276-D279 WeakPolarHBondContact CB-OD2 3.21Å; S276-D279 VanDerWaalsContact O-CB 3.3Å; S276-D279 WeakPolarHBondContact O-CB 3.47Å; S276-D279 PolarHBondContact O-N 3.15Å
280C84Confident82.6Confident26 Ų2660 Ų6018%0.17631%0.309CS..EExtended strand (participates in β ladder)trans-129.498.8-175.4-158.90000109.7F267 L268 Y269 R278 Y332F267-C280 VanDerWaalsContact CB-SG 3.57Å; L268-C280 CarbonylContact O-C 3.58Å; L268-C280 WeakPolarHBondContact O-CA 3.4Å; Y269-C280 HydrophobicContact CD2-CB 4.1Å; R278-C280 VanDerWaalsContact C-N 3.29Å; R278-C280 PolarHBondContact O-N 3.38Å; C280-Y332 HydrophobicContact CB-CE1 4.49Å
281I84.9Confident82.3Confident28 Ų2861.5 Ų61.514%0.14432%0.317CS..EExtended strand (participates in β ladder)trans-87.3121.3-174.7-53.997.1000109.8F267 L268 T270 L283 V299F267-I281 CarbonylContact C-O 3.55Å; F267-I281 VanDerWaalsContact CA-O 3.25Å; F267-I281 WeakPolarHBondContact CA-O 3.19Å; L268-I281 HydrophobicContact CB-CB 4.41Å; L268-I281 PolarHBondContact N-O 3.1Å; L268-I281 PolarHBondContact O-N 2.8Å; T270-I281 HydrophobicContact CG2-CD1 3.91Å; I281-L283 PolarHBondContact O-N 3.28Å; I281-V299 HydrophobicContact CD1-CG1 4.11Å; I281-V299 HydrophobicContact CD1-CG2 3.84Å; I281-V299 HydrophobicContact CG1-CG2 4.03Å
282A87.8Confident81.4Confident32 Ų3267 Ų6726%0.26435%0.346SS..EExtended strand (participates in β ladder)trans-67.3123.8174.300000111.2F267 L291F267-A282 HydrophobicContact CD1-CB 3.86Å; F267-A282 HydrophobicContact CE1-CB 3.79Å; A282-L291 HydrophobicContact CB-CD1 3.7Å
283L87Confident80.6Confident1 Ų169.1 Ų69.11%0.00536%0.357CS..EExtended strand (participates in β ladder)trans-98.2-45.9178.9-63.6178.1000112H266 L268 I281 F290 L291 Y296 I489 L501 I505H266-L283 HydrophobicContact CB-CB 4.46Å; H266-L283 WeakPolarHBondContact O-CA 3.41Å; H266-L283 WeakPolarHBondContact O-CB 3.31Å; H266-L283 PolarHBondContact O-N 2.73Å; L268-L283 HydrophobicContact CB-CD1 4.03Å; L268-L283 HydrophobicContact CB-CD2 4.09Å; L268-L283 HydrophobicContact CB-CG 4.05Å; L268-L283 HydrophobicContact CD1-CD1 4.38Å; I281-L283 PolarHBondContact O-N 3.28Å; L283-F290 HydrophobicContact CD2-CZ 4.31Å; L283-F290 CarbonylContact O-C 3.44Å; L283-F290 VanDerWaalsContact O-CA 3.31Å; L283-F290 WeakPolarHBondContact O-CA 3.14Å; L283-L291 PolarHBondContact O-N 2.9Å; L283-Y296 HydrophobicContact CD2-CD2 3.65Å; L283-Y296 HydrophobicContact CD2-CE2 3.92Å; L283-I489 HydrophobicContact CD1-CD1 4.34Å; L283-L501 HydrophobicContact CD1-CD1 4.07Å; L283-I505 HydrophobicContact CD1-CD1 4.29Å
284V89.9Confident80Confident3 Ų374.7 Ų74.72%0.01838%0.378CS..EExtended strand (participates in β ladder)trans-139.6131.1-177.7-177.30000109.3E265 H266 N289 F290 I505 L506E265-V284 WeakPolarHBondContact CA-O 3.4Å; H266-V284 HydrophobicContact CB-CB 4Å; H266-V284 HydrophobicContact CB-CG2 4.42Å; H266-V284 PolarHBondContact N-O 3.24Å; H266-V284 PolarHBondContact O-N 2.95Å; V284-N289 WeakPolarHBondContact CA-O 3.47Å; V284-F290 HydrophobicContact CG2-CD2 3.84Å; V284-F290 HydrophobicContact CG2-CE2 4.48Å; V284-F290 HydrophobicContact CG2-CG 4.45Å; V284-I505 HydrophobicContact CG2-CG2 3.89Å; V284-L506 HydrophobicContact CG1-CD2 4.17Å
285N90.2Very high79.6Confident36 Ų3673.8 Ų73.819%0.19336%0.363CS..  trans-85171.717872.111.2000112.9L264 H287 G288 N289 L291L264-N285 CarbonylContact O-C 3.49Å; N285-H287 PolarHBondContact O-N 2.9Å; N285-H287 WeakPolarHBondContact OD1-CA 3.08Å; N285-H287 WeakPolarHBondContact OD1-CB 3.48Å; N285-H287 PolarHBondContact OD1-N 3.24Å; N285-G288 PolarHBondContact O-N 3.25Å; N285-G288 PolarHBondContact OD1-N 3.09Å; N285-N289 PolarHBondContact N-O 2.63Å; N285-N289 VanDerWaalsContact N-O 3.17Å; N285-N289 PolarHBondContact OD1-N 2.94Å; N285-N289 VanDerWaalsContact OD1-N 3.08Å; N285-L291 HydrophobicContact CB-CD1 4.19Å; N285-L291 HydrophobicContact CB-CD2 4.23Å; N285-L291 HydrophobicContact CB-CG 4.42Å
286R87.5Confident79.3Confident141 Ų14165.9 Ų65.953%0.53233%0.326SS..THydrogen-bonded Turntrans-54.4-11.1175.471-172.7-172.9-169.30116.2P263 L264 E265 T484P263-R286 HydrophobicContact CB-CB 4.05Å; P263-R286 VanDerWaalsContact CB-O 3.3Å; P263-R286 WeakPolarHBondContact CB-O 3.44Å; P263-R286 HydrophobicContact CG-CB 4.07Å; L264-R286 WeakPolarHBondContact O-CA 3.16Å; E265-R286 HydrophobicContact CG-CB 3.92Å; R286-T484 HydrophobicContact CB-CG2 4.17Å
287H86.1Confident78.6Confident125 Ų12568.1 Ų68.158%0.57934%0.344SS*.THydrogen-bonded Turntrans-100-1.1178-58-76.4000112.8N285N285-H287 PolarHBondContact O-N 2.9Å; N285-H287 WeakPolarHBondContact OD1-CA 3.08Å; N285-H287 WeakPolarHBondContact OD1-CB 3.48Å; N285-H287 PolarHBondContact OD1-N 3.24Å
288G83.1Confident77.8Confident33 Ų3368.6 Ų68.634%0.3436%0.357SS..SBendtrans87.12.2-177.700000114.8N285 L506N285-G288 PolarHBondContact O-N 3.25Å; N285-G288 PolarHBondContact OD1-N 3.09Å; G288-L506 WeakPolarHBondContact O-CD2 3.25Å
289N85.9Confident77.1Confident103 Ų10362.2 Ų62.255%0.55134%0.336SS*.PPolyproline II helixtrans-82.9127.1-177-64.6-10.3000111V284 N285V284-N289 WeakPolarHBondContact CA-O 3.47Å; N285-N289 PolarHBondContact N-O 2.63Å; N285-N289 VanDerWaalsContact N-O 3.17Å; N285-N289 PolarHBondContact OD1-N 2.94Å; N285-N289 VanDerWaalsContact OD1-N 3.08Å
290F82.6Confident76.3Confident39 Ų3960 Ų6017%0.17133%0.327CS..BIsolated β-bridgetrans-71.7126.2173.1-161-75.9000110.7L283 V284 K498 M502 L506L283-F290 HydrophobicContact CD2-CZ 4.31Å; L283-F290 CarbonylContact O-C 3.44Å; L283-F290 VanDerWaalsContact O-CA 3.31Å; L283-F290 WeakPolarHBondContact O-CA 3.14Å; V284-F290 HydrophobicContact CG2-CD2 3.84Å; V284-F290 HydrophobicContact CG2-CE2 4.48Å; V284-F290 HydrophobicContact CG2-CG 4.45Å; F290-K498 HydrophobicContact CZ-CG 4.49Å; F290-M502 HydrophobicContact CD2-CB 4.41Å; F290-M502 HydrophobicContact CD2-CG 4.25Å; F290-M502 HydrophobicContact CE2-CB 4.37Å; F290-L506 HydrophobicContact CB-CD1 4.23Å
291L78.9Confident75.1Confident46 Ų4661.7 Ų61.724%0.24134%0.339CS..PPolyproline II helixtrans-94.9161.3-169.9-59.9-179.5000113.3A282 L283 N285 Q293A282-L291 HydrophobicContact CB-CD1 3.7Å; L283-L291 PolarHBondContact O-N 2.9Å; N285-L291 HydrophobicContact CB-CD1 4.19Å; N285-L291 HydrophobicContact CB-CD2 4.23Å; N285-L291 HydrophobicContact CB-CG 4.42Å; L291-Q293 PolarHBondContact O-N 3.2Å; L291-Q293 VanDerWaalsContact O-N 3.1Å
292N62.7Low74Confident115 Ų11563.7 Ų63.762%0.61535%0.352SS*.  trans36.760.4155-64.8-6.7000116.8K294 S295 Y296N292-K294 PolarHBondContact O-N 2.86Å; N292-S295 WeakPolarHBondContact CB-OG 3.42Å; N292-S295 PolarHBondContact O-N 2.81Å; N292-S295 PolarHBondContact O-OG 3.05Å; N292-Y296 PolarHBondContact O-N 3.01Å
293Q60.4Low72.9Confident121 Ų12162.7 Ų62.757%0.56534%0.342SS*.Hα-helixtrans-51.6-30.7178.1-51.7-169.129.100113.6L291 A297L291-Q293 PolarHBondContact O-N 3.2Å; L291-Q293 VanDerWaalsContact O-N 3.1Å; Q293-A297 PolarHBondContact O-N 2.66Å
294K60.9Low71.5Confident189 Ų18965.7 Ų65.782%0.82236%0.362SS*.Hα-helixtrans-67.8-43.8177.6-65.8-172.3178.5-176.10113.7N292 Y296 A297 A298N292-K294 PolarHBondContact O-N 2.86Å; K294-Y296 VanDerWaalsContact C-N 3.32Å; K294-A297 PolarHBondContact O-N 3.33Å; K294-A298 PolarHBondContact O-N 3.07Å
295S62.8Low69.8Low41 Ų4171.2 Ų71.229%0.28739%0.388SS..Hα-helixtrans-69.8-35.2-179.857.10000111.2N292 A298 V299N292-S295 WeakPolarHBondContact CB-OG 3.42Å; N292-S295 PolarHBondContact O-N 2.81Å; N292-S295 PolarHBondContact O-OG 3.05Å; S295-A298 PolarHBondContact O-N 3Å; S295-V299 WeakPolarHBondContact O-CB 3.41Å; S295-V299 VanDerWaalsContact O-CG2 3.28Å; S295-V299 WeakPolarHBondContact O-CG2 3.43Å; S295-V299 PolarHBondContact O-N 3.36Å
296Y69.5Low68.2Low14 Ų1473.1 Ų73.16%0.05540%0.396CS..Hα-helixtrans-60.4-47.5172.9-172.2-93.9000112.4L268 L283 N292 K294 A298 V299 A300 V495 P496 A497 K498 L501L268-Y296 HydrophobicContact CD2-CD2 4.41Å; L268-Y296 HydrophobicContact CD2-CE2 4.22Å; L283-Y296 HydrophobicContact CD2-CD2 3.65Å; L283-Y296 HydrophobicContact CD2-CE2 3.92Å; N292-Y296 PolarHBondContact O-N 3.01Å; K294-Y296 VanDerWaalsContact C-N 3.32Å; Y296-A298 PolarHBondContact O-N 2.94Å; Y296-V299 PolarHBondContact O-N 3.08Å; Y296-A300 WeakPolarHBondContact O-CB 3.06Å; Y296-A300 PolarHBondContact O-N 2.87Å; Y296-V495 HydrophobicContact CE2-CG1 3.95Å; Y296-P496 PolarHBondContact OH-O 3.43Å; Y296-A497 VanDerWaalsContact OH-C 3.22Å; Y296-A497 PolarHBondContact OH-O 2.88Å; Y296-K498 HydrophobicContact CD1-CB 4.14Å; Y296-K498 HydrophobicContact CD1-CG 4.39Å; Y296-K498 HydrophobicContact CE1-CB 3.58Å; Y296-K498 HydrophobicContact CE1-CG 4.21Å; Y296-K498 WeakPolarHBondContact OH-CA 3.45Å; Y296-K498 PolarHBondContact OH-N 2.89Å; Y296-L501 HydrophobicContact CE2-CD1 3.67Å; Y296-L501 VanDerWaalsContact OH-CD1 3.27Å; Y296-L501 WeakPolarHBondContact OH-CD1 3.35Å
297A64Low66.5Low59 Ų5972 Ų7249%0.48839%0.392SS..Hα-helixtrans-62.7-41.9177.100000112.6Q293 K294 A300 C301Q293-A297 PolarHBondContact O-N 2.66Å; K294-A297 PolarHBondContact O-N 3.33Å; A297-A300 PolarHBondContact O-N 3.05Å; A297-C301 WeakPolarHBondContact O-CB 3.1Å; A297-C301 PolarHBondContact O-N 3.3Å
298A62.1Low64.7Low55 Ų5573.1 Ų73.146%0.45540%0.4SS..Hα-helixtrans-61.7-44.8175.900000112.1K294 S295 Y296 C301 V302K294-A298 PolarHBondContact O-N 3.07Å; S295-A298 PolarHBondContact O-N 3Å; Y296-A298 PolarHBondContact O-N 2.94Å; A298-C301 WeakPolarHBondContact O-CB 3.15Å; A298-C301 PolarHBondContact O-N 2.96Å; A298-V302 WeakPolarHBondContact O-CG2 3.33Å; A298-V302 PolarHBondContact O-N 3.17Å
299V66.5Low63.1Low28 Ų2877.2 Ų77.217%0.1742%0.419CS..Hα-helixtrans-66.8-42.1179166.30000112.2L268 T270 I281 S295 Y296 C301 V302 I303 V495L268-V299 HydrophobicContact CD2-CG1 4.3Å; T270-V299 HydrophobicContact CG2-CG1 3.69Å; I281-V299 HydrophobicContact CD1-CG1 4.11Å; I281-V299 HydrophobicContact CD1-CG2 3.84Å; I281-V299 HydrophobicContact CG1-CG2 4.03Å; S295-V299 WeakPolarHBondContact O-CB 3.41Å; S295-V299 VanDerWaalsContact O-CG2 3.28Å; S295-V299 WeakPolarHBondContact O-CG2 3.43Å; S295-V299 PolarHBondContact O-N 3.36Å; Y296-V299 PolarHBondContact O-N 3.08Å; V299-C301 VanDerWaalsContact C-N 3.33Å; V299-C301 PolarHBondContact O-N 3.41Å; V299-V302 PolarHBondContact O-N 3.31Å; V299-I303 HydrophobicContact CG1-CD1 3.96Å; V299-I303 WeakPolarHBondContact O-CB 3.34Å; V299-I303 WeakPolarHBondContact O-CG1 3.43Å; V299-I303 PolarHBondContact O-N 3.32Å; V299-V495 HydrophobicContact CG1-CG2 4.22Å
300A64.9Low61.3Low24 Ų2475.1 Ų75.120%0.19841%0.41CS..Hα-helixtrans-60.4-4317300000111.5Y296 A297 I303 C304 V495Y296-A300 WeakPolarHBondContact O-CB 3.06Å; Y296-A300 PolarHBondContact O-N 2.87Å; A297-A300 PolarHBondContact O-N 3.05Å; A300-I303 PolarHBondContact O-N 3Å; A300-C304 WeakPolarHBondContact O-CB 3.33Å; A300-C304 PolarHBondContact O-N 3.04Å; A300-C304 PolarHBondContact O-SG 2.84Å; A300-C304 VanDerWaalsContact O-SG 3.36Å; A300-V495 HydrophobicContact CB-CB 4.24Å; A300-V495 HydrophobicContact CB-CG1 4.31Å; A300-V495 HydrophobicContact CB-CG2 4.49Å
301C59.5Low59.7Low63 Ų6380.2 Ų80.243%0.42643%0.434SS..Hα-helixtrans-60.1-51.1176.4-171.40000112.1A297 A298 V299 I303 C304 Q305A297-C301 WeakPolarHBondContact O-CB 3.1Å; A297-C301 PolarHBondContact O-N 3.3Å; A298-C301 WeakPolarHBondContact O-CB 3.15Å; A298-C301 PolarHBondContact O-N 2.96Å; V299-C301 VanDerWaalsContact C-N 3.33Å; V299-C301 PolarHBondContact O-N 3.41Å; C301-I303 VanDerWaalsContact C-N 3.34Å; C301-I303 PolarHBondContact O-N 2.05Å; C301-C304 PolarHBondContact O-N 3.27Å; C301-Q305 WeakPolarHBondContact O-CG 3.43Å; C301-Q305 PolarHBondContact O-N 2.96Å
302V61.5Low58.3Low69 Ų6987.9 Ų87.942%0.41847%0.466SS..Hα-helixtrans-59.7-41.9179.31690000111.9A298 V299 Q306A298-V302 WeakPolarHBondContact O-CG2 3.33Å; A298-V302 PolarHBondContact O-N 3.17Å; V299-V302 PolarHBondContact O-N 3.31Å; V302-Q306 VanDerWaalsContact O-CG 3.23Å; V302-Q306 WeakPolarHBondContact O-CG 3.43Å; V302-Q306 PolarHBondContact O-N 3.16Å
303I64.3Low57.5Low12 Ų1287.9 Ų87.96%0.06247%0.47CS..Hα-helixtrans-73.1-37.5-179.5-71.6171.9000111.6T270 V299 A300 C301 Q306 R307 C491 G493 V495T270-I303 HydrophobicContact CG2-CD1 3.62Å; V299-I303 HydrophobicContact CG1-CD1 3.96Å; V299-I303 WeakPolarHBondContact O-CB 3.34Å; V299-I303 WeakPolarHBondContact O-CG1 3.43Å; V299-I303 PolarHBondContact O-N 3.32Å; A300-I303 PolarHBondContact O-N 3Å; C301-I303 VanDerWaalsContact C-N 3.34Å; C301-I303 PolarHBondContact O-N 2.05Å; I303-Q306 PolarHBondContact O-N 2.82Å; I303-R307 PolarHBondContact O-N 3.19Å; I303-C491 HydrophobicContact CD1-CB 4.23Å; I303-G493 WeakPolarHBondContact CG2-O 3.44Å; I303-V495 HydrophobicContact CB-CG2 3.99Å; I303-V495 HydrophobicContact CD1-CG2 3.53Å; I303-V495 HydrophobicContact CG1-CG2 4.3Å; I303-V495 HydrophobicContact CG2-CG2 4.1Å
304C58.7Low56.9Low63 Ų6385.3 Ų85.343%0.42646%0.457SS..Hα-helixtrans-64.6-42.9173.1-75.90000112.6A300 C301 Q306 R307A300-C304 WeakPolarHBondContact O-CB 3.33Å; A300-C304 PolarHBondContact O-N 3.04Å; A300-C304 PolarHBondContact O-SG 2.84Å; A300-C304 VanDerWaalsContact O-SG 3.36Å; C301-C304 PolarHBondContact O-N 3.27Å; C304-Q306 VanDerWaalsContact C-N 3.29Å; C304-Q306 PolarHBondContact O-N 2.66Å; C304-R307 VanDerWaalsContact O-CB 3.29Å; C304-R307 WeakPolarHBondContact O-CB 3.34Å; C304-R307 PolarHBondContact O-N 3.37Å; C304-R307 VanDerWaalsContact O-N 3.12Å
305Q54.7Low56.3Low119 Ų11981.9 Ų81.956%0.55645%0.451SS*.Hα-helixtrans-59.8-39176.4-74.6172.6-13.100112.2C301 R307C301-Q305 WeakPolarHBondContact O-CG 3.43Å; C301-Q305 PolarHBondContact O-N 2.96Å; Q305-R307 VanDerWaalsContact C-N 3.26Å; Q305-R307 PolarHBondContact O-N 3.48Å
306Q55.3Low55.5Low77 Ų7787.4 Ų87.436%0.3648%0.477SS..Hα-helixtrans-69.4-21178.1-71.1165.73.500113.8V302 I303 C304 V309 T310V302-Q306 VanDerWaalsContact O-CG 3.23Å; V302-Q306 WeakPolarHBondContact O-CG 3.43Å; V302-Q306 PolarHBondContact O-N 3.16Å; I303-Q306 PolarHBondContact O-N 2.82Å; C304-Q306 VanDerWaalsContact C-N 3.29Å; C304-Q306 PolarHBondContact O-N 2.66Å; Q306-V309 PolarHBondContact O-N 2.93Å; Q306-T310 PolarHBondContact O-OG1 3.27Å
307R52.5Low54.6Low117 Ų11788.5 Ų88.544%0.44249%0.489SS..Hα-helixtrans-67.5-43.2179.7-165.6171177.8162.9-0.6111.7I303 C304 Q305 V309 T310 E311I303-R307 PolarHBondContact O-N 3.19Å; C304-R307 VanDerWaalsContact O-CB 3.29Å; C304-R307 WeakPolarHBondContact O-CB 3.34Å; C304-R307 PolarHBondContact O-N 3.37Å; C304-R307 VanDerWaalsContact O-N 3.12Å; Q305-R307 VanDerWaalsContact C-N 3.26Å; Q305-R307 PolarHBondContact O-N 3.48Å; R307-V309 PolarHBondContact O-N 2.96Å; R307-V309 VanDerWaalsContact O-N 3.11Å; R307-T310 PolarHBondContact O-N 3.06Å; R307-T310 PolarHBondContact O-OG1 3.05Å; R307-E311 IonicContact NE-OE1 3.95Å
308I48.6Very low54.3Low148 Ų14893.6 Ų93.676%0.75950%0.495SS*.Hα-helixtrans-54.6-32.3177-59.7171.8000111.8
309V48.4Very low54.1Low120 Ų12096 Ų9673%0.72750%0.496SS*.THydrogen-bonded Turntrans-89.4-8-175.8-167.90000113.1Q306 R307Q306-V309 PolarHBondContact O-N 2.93Å; R307-V309 PolarHBondContact O-N 2.96Å; R307-V309 VanDerWaalsContact O-N 3.11Å
310T49.5Very low53.8Low59 Ų5999.6 Ų99.636%0.36251%0.514SS..THydrogen-bonded Turntrans-121.9-1-168.745.50000117Q306 R307 F312Q306-T310 PolarHBondContact O-OG1 3.27Å; R307-T310 PolarHBondContact O-N 3.06Å; R307-T310 PolarHBondContact O-OG1 3.05Å; T310-F312 VanDerWaalsContact C-N 3.32Å; T310-F312 PolarHBondContact O-N 2.81Å
311E49.1Very low54.2Low146 Ų146101.4 Ų101.468%0.68252%0.52SS*.THydrogen-bonded Turntrans-73-21.4-177.4-140.3138.5-123.800113.5R307R307-E311 IonicContact NE-OE1 3.95Å
312F47.6Very low55.1Low207 Ų20799.7 Ų99.791%0.90851%0.507SS*.THydrogen-bonded Turntrans-88.7-4.9-169.3-133.2-92.9000117T310T310-F312 VanDerWaalsContact C-N 3.32Å; T310-F312 PolarHBondContact O-N 2.81Å
313V46.2Very low56.1Low115 Ų11599.5 Ų99.570%0.69750%0.501SS*.THydrogen-bonded Turntrans-131.5-20.4-164.1179.90000115
314K48.5Very low57Low67 Ų67102.7 Ų102.729%0.29152%0.518SS..  trans-113.790.9-152.1-57.4-163.4176.4-1780114.7A317 R318 I321K314-A317 HydrophobicContact CB-CB 4.42Å; K314-A317 HydrophobicContact CD-CB 4.09Å; K314-A317 HydrophobicContact CG-CB 4.07Å; K314-R318 HydrophobicContact CB-CG 4.27Å; K314-R318 WeakPolarHBondContact O-CG 3.37Å; K314-R318 PolarHBondContact O-NE 2.69Å; K314-R318 PolarHBondContact O-NH2 3.39Å; K314-I321 HydrophobicContact CD-CD1 4.22Å
315T49.2Very low58.4Low116 Ų116100.4 Ų100.471%0.71250%0.5SS*.SBendtrans-102.1-61.7152.3-53.10000109.9R318T315-R318 PolarHBondContact O-N 2.85Å
316L44.9Very low60.1Low158 Ų15894.8 Ų94.883%0.82747%0.474SS*.THydrogen-bonded Turntrans-56.5-54.1177.4-79.7154.4000112.6R318 F319L316-R318 PolarHBondContact O-N 3.49Å; L316-F319 PolarHBondContact O-N 3.24Å
317A51.4Low61.8Low36 Ų3693.3 Ų93.330%0.29847%0.468SS..THydrogen-bonded Turntrans-64.9-1.4-175.300000115.5K314 F319 I321K314-A317 HydrophobicContact CB-CB 4.42Å; K314-A317 HydrophobicContact CD-CB 4.09Å; K314-A317 HydrophobicContact CG-CB 4.07Å; A317-F319 VanDerWaalsContact C-N 3.32Å; A317-I321 VanDerWaalsContact O-CD1 3.23Å; A317-I321 WeakPolarHBondContact O-CD1 3.36Å; A317-I321 VanDerWaalsContact O-CG1 3.28Å; A317-I321 WeakPolarHBondContact O-CG1 3.36Å
318R57.7Low63.5Low167 Ų16788.4 Ų88.463%0.6345%0.451SS*.Hα-helixtrans-72.1-26.4172.6-63.8-170.9-173.8-168.22.9112.5K314 T315 L316 T322K314-R318 HydrophobicContact CB-CG 4.27Å; K314-R318 WeakPolarHBondContact O-CG 3.37Å; K314-R318 PolarHBondContact O-NE 2.69Å; K314-R318 PolarHBondContact O-NH2 3.39Å; T315-R318 PolarHBondContact O-N 2.85Å; L316-R318 PolarHBondContact O-N 3.49Å; R318-T322 WeakPolarHBondContact O-CB 3.39Å; R318-T322 PolarHBondContact O-N 3.23Å; R318-T322 PolarHBondContact O-OG1 3.13Å
319F57.8Low65.6Low106 Ų10681.3 Ų81.347%0.46542%0.415SS..Hα-helixtrans-70.6-56.4-176.2-79.3-104.1000111.9L316 A317 I321 T322 K323 M357L316-F319 PolarHBondContact O-N 3.24Å; A317-F319 VanDerWaalsContact C-N 3.32Å; F319-I321 PolarHBondContact O-N 2.82Å; F319-T322 WeakPolarHBondContact O-CA 3.49Å; F319-T322 WeakPolarHBondContact O-CB 3.37Å; F319-T322 PolarHBondContact O-N 3.47Å; F319-K323 PolarHBondContact O-N 2.81Å; F319-M357 HydrophobicContact CB-CE 4.41Å; F319-M357 HydrophobicContact CD1-CE 3.51Å; F319-M357 HydrophobicContact CE1-CE 4.16Å; F319-M357 HydrophobicContact CG-CE 4.28Å
320D60Low67.8Low102 Ų10275.6 Ų75.655%0.54538%0.38SS..Hα-helixtrans-63.2-38.4-177.8-60.7-54.7000113.1T322 K323 N324D320-T322 PolarHBondContact O-N 2.88Å; D320-K323 PolarHBondContact O-N 3.49Å; D320-N324 WeakPolarHBondContact O-CB 3.37Å; D320-N324 VanDerWaalsContact O-CG 3.28Å; D320-N324 PolarHBondContact O-N 3.27Å
321I72.3Confident69.7Low62 Ų6274.5 Ų74.532%0.31838%0.375SS..Hα-helixtrans-61.2-31.9174.8-63.1173.2000111.2K314 A317 F319 R325K314-I321 HydrophobicContact CD-CD1 4.22Å; A317-I321 VanDerWaalsContact O-CD1 3.23Å; A317-I321 WeakPolarHBondContact O-CD1 3.36Å; A317-I321 VanDerWaalsContact O-CG1 3.28Å; A317-I321 WeakPolarHBondContact O-CG1 3.36Å; F319-I321 PolarHBondContact O-N 2.82Å; I321-R325 WeakPolarHBondContact O-CB 3.02Å; I321-R325 PolarHBondContact O-N 3.29Å
322T78.1Confident71.8Confident28 Ų2869.2 Ų69.217%0.17235%0.349CS..Hα-helixtrans-78.5-43.8177.2-56.40000111.3R318 F319 D320 R325 W326 M357R318-T322 WeakPolarHBondContact O-CB 3.39Å; R318-T322 PolarHBondContact O-N 3.23Å; R318-T322 PolarHBondContact O-OG1 3.13Å; F319-T322 WeakPolarHBondContact O-CA 3.49Å; F319-T322 WeakPolarHBondContact O-CB 3.37Å; F319-T322 PolarHBondContact O-N 3.47Å; D320-T322 PolarHBondContact O-N 2.88Å; T322-R325 PolarHBondContact O-N 2.97Å; T322-W326 PolarHBondContact O-N 3.36Å; T322-M357 HydrophobicContact CG2-SD 4.37Å
323K82.5Confident74Confident65 Ų6559.3 Ų59.328%0.28331%0.306SS..Hα-helixtrans-60.3-50.2175.9178.1172.6176.4170.40111.6F319 D320 R325 W326 I327 M357F319-K323 PolarHBondContact O-N 2.81Å; D320-K323 PolarHBondContact O-N 3.49Å; K323-R325 PolarHBondContact O-N 3.19Å; K323-W326 PolarHBondContact O-N 2.99Å; K323-I327 HydrophobicContact CD-CD1 4.46Å; K323-I327 HydrophobicContact CG-CD1 3.81Å; K323-I327 WeakPolarHBondContact O-CG1 3.48Å; K323-I327 PolarHBondContact O-N 3.13Å; K323-M357 HydrophobicContact CB-CB 4.49Å; K323-M357 WeakPolarHBondContact CE-O 3.42Å; K323-M357 HydrophobicContact CG-CB 4.41Å
324N84.1Confident76.2Confident78 Ų7858 Ų5842%0.41729%0.292SS..Hα-helixtrans-62.2-41.2-178.6-69.8-10.5000111.8D320 W326 I327 T328D320-N324 WeakPolarHBondContact O-CB 3.37Å; D320-N324 VanDerWaalsContact O-CG 3.28Å; D320-N324 PolarHBondContact O-N 3.27Å; N324-W326 VanDerWaalsContact C-N 3.33Å; N324-W326 PolarHBondContact O-N 3.15Å; N324-I327 PolarHBondContact O-N 3.46Å; N324-T328 VanDerWaalsContact O-CG2 3.29Å; N324-T328 WeakPolarHBondContact O-CG2 3.21Å; N324-T328 PolarHBondContact O-N 3.45Å; N324-T328 PolarHBondContact O-OG1 3.06Å
325R87.5Confident78.2Confident15 Ų1558.6 Ų58.66%0.05730%0.295CS..Hα-helixtrans-60.1-39.8174.7180174.6-61.2113.94.2113.2Y269 G271 I321 T322 K323 T328 L329Y269-R325 HydrophobicContact CD1-CG 4.42Å; Y269-R325 HydrophobicContact CE1-CG 4.17Å; G271-R325 WeakPolarHBondContact O-CG 3.06Å; G271-R325 PolarHBondContact O-NE 2.83Å; I321-R325 WeakPolarHBondContact O-CB 3.02Å; I321-R325 PolarHBondContact O-N 3.29Å; T322-R325 PolarHBondContact O-N 2.97Å; K323-R325 PolarHBondContact O-N 3.19Å; R325-T328 PolarHBondContact O-OG1 2.8Å; R325-T328 VanDerWaalsContact O-OG1 3.12Å; R325-L329 VanDerWaalsContact O-CB 3.3Å; R325-L329 WeakPolarHBondContact O-CB 3.45Å; R325-L329 PolarHBondContact O-N 3.33Å; R325-L329 VanDerWaalsContact O-N 3.08Å
326W91.3Very high80.2Confident2 Ų258 Ų581%0.00828%0.283CS..Hα-helixtrans-66.7-46.5175.6-80.9121.7000111.2T322 K323 N324 T328 L329 I330 M341 A343 N354 L358 F432 V449 D451 L490T322-W326 PolarHBondContact O-N 3.36Å; K323-W326 PolarHBondContact O-N 2.99Å; N324-W326 VanDerWaalsContact C-N 3.33Å; N324-W326 PolarHBondContact O-N 3.15Å; W326-T328 PolarHBondContact O-N 2.91Å; W326-L329 HydrophobicContact CE3-CD2 3.79Å; W326-L329 HydrophobicContact CZ3-CD2 3.65Å; W326-L329 PolarHBondContact O-N 3Å; W326-I330 HydrophobicContact CB-CD1 4.44Å; W326-I330 WeakPolarHBondContact O-CB 3.48Å; W326-I330 WeakPolarHBondContact O-CD1 3.33Å; W326-I330 WeakPolarHBondContact O-CG1 3.1Å; W326-I330 PolarHBondContact O-N 3.45Å; W326-M341 HydrophobicContact CZ3-CE 4Å; W326-A343 HydrophobicContact CH2-CB 3.76Å; W326-A343 HydrophobicContact CZ3-CB 4.15Å; W326-N354 PolarHBondContact NE1-ND2 3.35Å; W326-L358 HydrophobicContact CB-CD1 4.13Å; W326-L358 HydrophobicContact CB-CD2 3.88Å; W326-L358 HydrophobicContact CB-CG 4.38Å; W326-L358 HydrophobicContact CG-CD1 4.46Å; W326-F432 HydrophobicContact CD2-CE1 4.21Å; W326-F432 HydrophobicContact CD2-CZ 4.37Å; W326-F432 AromaticContact CE2-CE1 3.92Å; W326-F432 HydrophobicContact CE3-CE1 4.22Å; W326-F432 HydrophobicContact CE3-CZ 4.36Å; W326-F432 AromaticContact CH2-CE1 3.75Å; W326-F432 HydrophobicContact CH2-CE1 3.75Å; W326-F432 AromaticContact CZ2-CE1 3.7Å; W326-F432 HydrophobicContact CZ2-CE1 3.7Å; W326-F432 HydrophobicContact CZ3-CE1 4.01Å; W326-F432 HydrophobicContact CZ3-CZ 4.49Å; W326-V449 HydrophobicContact CH2-CG1 4.09Å; W326-V449 HydrophobicContact CZ3-CG1 4.07Å; W326-D451 HydrophobicContact CZ2-CB 4.39Å; W326-D451 WeakPolarHBondContact CZ2-OD1 3.48Å; W326-L490 HydrophobicContact CD2-CD1 4.49Å; W326-L490 HydrophobicContact CE3-CD1 4.29Å; W326-L490 HydrophobicContact CH2-CD1 3.48Å; W326-L490 VanDerWaalsContact CH2-CD1 3.48Å; W326-L490 HydrophobicContact CZ2-CD1 3.72Å; W326-L490 HydrophobicContact CZ3-CD1 3.8Å
327I90Very high82.5Confident45 Ų4555.3 Ų55.323%0.23127%0.27CS..Hα-helixtrans-58.4-46.8177.7-64.9169.8000111K323 N324 L329 I330 S331 L358 M361K323-I327 HydrophobicContact CD-CD1 4.46Å; K323-I327 HydrophobicContact CG-CD1 3.81Å; K323-I327 WeakPolarHBondContact O-CG1 3.48Å; K323-I327 PolarHBondContact O-N 3.13Å; N324-I327 PolarHBondContact O-N 3.46Å; I327-L329 PolarHBondContact O-N 2.69Å; I327-I330 PolarHBondContact O-N 2.94Å; I327-S331 PolarHBondContact O-N 3.25Å; I327-S331 PolarHBondContact O-OG 3.48Å; I327-L358 HydrophobicContact CG1-CD2 3.73Å; I327-M361 HydrophobicContact CB-SD 4.33Å; I327-M361 HydrophobicContact CG1-SD 3.91Å; I327-M361 HydrophobicContact CG2-CE 4.22Å; I327-M361 HydrophobicContact CG2-SD 4.3Å
328T89.9Confident84.6Confident14 Ų1454.9 Ų54.99%0.08626%0.262CS..Hα-helixtrans-66-38.7-179.461.20000112.3Y269 D273 N324 R325 W326 Y332Y269-T328 PolarHBondContact OH-OG1 3.05Å; Y269-T328 VanDerWaalsContact OH-OG1 3.08Å; D273-T328 VanDerWaalsContact C-CG2 3.42Å; D273-T328 VanDerWaalsContact O-CG2 3.28Å; D273-T328 WeakPolarHBondContact O-CG2 3.24Å; N324-T328 VanDerWaalsContact O-CG2 3.29Å; N324-T328 WeakPolarHBondContact O-CG2 3.21Å; N324-T328 PolarHBondContact O-N 3.45Å; N324-T328 PolarHBondContact O-OG1 3.06Å; R325-T328 PolarHBondContact O-OG1 2.8Å; R325-T328 VanDerWaalsContact O-OG1 3.12Å; W326-T328 PolarHBondContact O-N 2.91Å; T328-Y332 VanDerWaalsContact O-CB 3.28Å; T328-Y332 WeakPolarHBondContact O-CB 3.24Å; T328-Y332 PolarHBondContact O-N 3.4Å
329L92.6Very high86.3Confident0 Ų047.9 Ų47.90%024%0.237CC..Hα-helixtrans-63.3-47.6173.7179.877.2000111.2Y269 R325 W326 I327 Y332 L333 V449 I488 L490Y269-L329 HydrophobicContact CD1-CB 4.43Å; Y269-L329 HydrophobicContact CD1-CD1 3.85Å; Y269-L329 HydrophobicContact CD2-CD1 3.8Å; Y269-L329 HydrophobicContact CE1-CB 3.92Å; Y269-L329 HydrophobicContact CE1-CD1 4.02Å; Y269-L329 HydrophobicContact CE2-CD1 3.98Å; Y269-L329 HydrophobicContact CG-CD1 3.72Å; Y269-L329 PolarHBondContact OH-N 3.38Å; R325-L329 VanDerWaalsContact O-CB 3.3Å; R325-L329 WeakPolarHBondContact O-CB 3.45Å; R325-L329 PolarHBondContact O-N 3.33Å; R325-L329 VanDerWaalsContact O-N 3.08Å; W326-L329 HydrophobicContact CE3-CD2 3.79Å; W326-L329 HydrophobicContact CZ3-CD2 3.65Å; W326-L329 PolarHBondContact O-N 3Å; I327-L329 PolarHBondContact O-N 2.69Å; L329-Y332 WeakPolarHBondContact O-CB 3.48Å; L329-Y332 PolarHBondContact O-N 3.32Å; L329-Y332 VanDerWaalsContact O-N 3.12Å; L329-L333 HydrophobicContact CD1-CD1 4.48Å; L329-L333 HydrophobicContact CD2-CD1 4.44Å; L329-L333 HydrophobicContact CG-CD1 4.04Å; L329-L333 HydrophobicContact CG-CG 4.48Å; L329-L333 WeakPolarHBondContact O-CG 3.17Å; L329-L333 PolarHBondContact O-N 3.36Å; L329-V449 HydrophobicContact CD2-CG1 3.99Å; L329-V449 HydrophobicContact CD2-CG2 4.24Å; L329-I488 HydrophobicContact CD1-CD1 4.15Å; L329-I488 HydrophobicContact CD1-CG2 4.35Å; L329-L490 HydrophobicContact CD1-CD2 4.23Å; L329-L490 HydrophobicContact CD2-CD1 4.44Å; L329-L490 HydrophobicContact CD2-CD2 3.86Å
330I93.1Very high88Confident0 Ų043.8 Ų43.80%022%0.221CC..Hα-helixtrans-63-49.8-177.2-70.4162.2000110.1W326 I327 Y332 L333 E334 M341 L358 M361 L363 I430W326-I330 HydrophobicContact CB-CD1 4.44Å; W326-I330 WeakPolarHBondContact O-CB 3.48Å; W326-I330 WeakPolarHBondContact O-CD1 3.33Å; W326-I330 WeakPolarHBondContact O-CG1 3.1Å; W326-I330 PolarHBondContact O-N 3.45Å; I327-I330 PolarHBondContact O-N 2.94Å; I330-Y332 PolarHBondContact O-N 3.28Å; I330-L333 PolarHBondContact O-N 3.39Å; I330-L333 VanDerWaalsContact O-N 3.13Å; I330-E334 WeakPolarHBondContact O-CB 3.5Å; I330-E334 PolarHBondContact O-N 3.43Å; I330-M341 HydrophobicContact CG1-SD 4.28Å; I330-L358 HydrophobicContact CD1-CD1 3.53Å; I330-L358 HydrophobicContact CD1-CD2 3.83Å; I330-L358 HydrophobicContact CD1-CG 4.3Å; I330-M361 HydrophobicContact CB-CE 4.18Å; I330-M361 HydrophobicContact CB-SD 4.34Å; I330-M361 HydrophobicContact CD1-SD 4.08Å; I330-M361 HydrophobicContact CG2-CE 3.67Å; I330-M361 HydrophobicContact CG2-SD 4.09Å; I330-L363 HydrophobicContact CG2-CD1 4.3Å; I330-L363 HydrophobicContact CG2-CD2 4.39Å; I330-I430 HydrophobicContact CB-CD1 4.31Å; I330-I430 HydrophobicContact CD1-CD1 3.45Å; I330-I430 VanDerWaalsContact CD1-CD1 3.45Å; I330-I430 HydrophobicContact CG1-CD1 3.57Å; I330-I430 HydrophobicContact CG2-CD1 3.75Å
331S90.9Very high89.7Confident35 Ų3539 Ų3925%0.24520%0.195CC..Hα-helixtrans-67.6-17.5176.1-60.50000113.4K277 I327 E335K277-S331 WeakPolarHBondContact CE-O 3.41Å; K277-S331 PolarHBondContact NZ-O 3.04Å; I327-S331 PolarHBondContact O-N 3.25Å; I327-S331 PolarHBondContact O-OG 3.48Å; S331-E335 VanDerWaalsContact O-CB 3.3Å; S331-E335 WeakPolarHBondContact O-CB 3.34Å; S331-E335 PolarHBondContact O-N 3.04Å
332Y92.3Very high90.9Very high35 Ų3536 Ų3614%0.13718%0.18CC..Hα-helixtrans-77.9-43.4169168-95.1000111.5K277 R278 C280 T328 L329 I330 E334 E335 K336K277-Y332 VanDerWaalsContact CE-N 3.32Å; R278-Y332 HydrophobicContact CB-CE2 4.48Å; R278-Y332 HydrophobicContact CG-CD2 4.11Å; R278-Y332 HydrophobicContact CG-CE2 4.27Å; C280-Y332 HydrophobicContact CB-CE1 4.49Å; T328-Y332 VanDerWaalsContact O-CB 3.28Å; T328-Y332 WeakPolarHBondContact O-CB 3.24Å; T328-Y332 PolarHBondContact O-N 3.4Å; L329-Y332 WeakPolarHBondContact O-CB 3.48Å; L329-Y332 PolarHBondContact O-N 3.32Å; L329-Y332 VanDerWaalsContact O-N 3.12Å; I330-Y332 PolarHBondContact O-N 3.28Å; Y332-E334 VanDerWaalsContact C-N 3.34Å; Y332-E335 PolarHBondContact O-N 3.04Å; Y332-K336 HydrophobicContact CD2-CG 4.49Å; Y332-K336 HydrophobicContact CE2-CG 4.07Å; Y332-K336 WeakPolarHBondContact O-CG 3.5Å; Y332-K336 PolarHBondContact O-N 2.97Å
333L93.7Very high91.8Very high0 Ų034.7 Ų34.70%017%0.172CC..Hα-helixtrans-64.2-40.4176.2-68.2171.3000111.1L329 I330 K336 D337 L338 L339 M341 T447 V449 I488L329-L333 HydrophobicContact CD1-CD1 4.48Å; L329-L333 HydrophobicContact CD2-CD1 4.44Å; L329-L333 HydrophobicContact CG-CD1 4.04Å; L329-L333 HydrophobicContact CG-CG 4.48Å; L329-L333 WeakPolarHBondContact O-CG 3.17Å; L329-L333 PolarHBondContact O-N 3.36Å; I330-L333 PolarHBondContact O-N 3.39Å; I330-L333 VanDerWaalsContact O-N 3.13Å; L333-K336 CarbonylContact O-C 3.59Å; L333-K336 PolarHBondContact O-N 2.71Å; L333-D337 PolarHBondContact O-N 2.81Å; L333-D337 VanDerWaalsContact O-N 3.07Å; L333-L338 HydrophobicContact CB-CB 4.19Å; L333-L338 HydrophobicContact CD2-CB 3.59Å; L333-L338 HydrophobicContact CD2-CD1 3.85Å; L333-L338 HydrophobicContact CD2-CG 4.38Å; L333-L338 PolarHBondContact O-N 2.98Å; L333-L339 HydrophobicContact CB-CD2 4.14Å; L333-L339 HydrophobicContact CB-CG 4.49Å; L333-M341 HydrophobicContact CD1-CB 4.37Å; L333-M341 HydrophobicContact CD1-CE 4.32Å; L333-M341 HydrophobicContact CD1-CG 4.47Å; L333-M341 HydrophobicContact CD1-SD 3.45Å; L333-M341 WeakPolarHBondContact CD1-SD 3.44Å; L333-T447 HydrophobicContact CD1-CG2 4.4Å; L333-T447 HydrophobicContact CD2-CG2 4.01Å; L333-V449 HydrophobicContact CD1-CG2 4.49Å; L333-I488 HydrophobicContact CD2-CD1 3.82Å
334E92.4Very high92.4Very high86 Ų8631.6 Ų31.640%0.40216%0.159SC..Hα-helixtrans-65-45.6175.2-170.2166.3-125.700112.4I330 Y332 K336 D337 L339I330-E334 WeakPolarHBondContact O-CB 3.5Å; I330-E334 PolarHBondContact O-N 3.43Å; Y332-E334 VanDerWaalsContact C-N 3.34Å; E334-K336 PolarHBondContact O-N 3.35Å; E334-D337 PolarHBondContact O-N 3.46Å; E334-D337 VanDerWaalsContact O-N 3.09Å; E334-L339 HydrophobicContact CB-CD1 4.19Å; E334-L339 HydrophobicContact CG-CD1 4.44Å
335E91.5Very high93Very high80 Ų8027.9 Ų27.937%0.37414%0.139SC..Hα-helixtrans-57.5-22.1172.6-177.6-171.2137.300113.1K277 R278 S331 Y332K277-E335 IonicContact NZ-OE2 2.78Å; K277-E335 PolarHBondContact NZ-OE2 3.35Å; R278-E335 IonicContact CZ-OE1 3.3Å; R278-E335 VanDerWaalsContact CZ-OE1 3.3Å; R278-E335 IonicContact NE-OE1 3.05Å; R278-E335 PolarHBondContact NE-OE1 3.43Å; R278-E335 IonicContact NH2-OE1 2.71Å; R278-E335 PolarHBondContact NH2-OE1 2.86Å; S331-E335 VanDerWaalsContact O-CB 3.3Å; S331-E335 WeakPolarHBondContact O-CB 3.34Å; S331-E335 PolarHBondContact O-N 3.04Å; Y332-E335 PolarHBondContact O-N 3.04Å
336K91.2Very high93.2Very high104 Ų10429.4 Ų29.445%0.45215%0.146SC..THydrogen-bonded Turntrans-108.37.3-179.5-63.9-58.5-175.3-1710114.3Y332 L333 E334 L338Y332-K336 HydrophobicContact CD2-CG 4.49Å; Y332-K336 HydrophobicContact CE2-CG 4.07Å; Y332-K336 WeakPolarHBondContact O-CG 3.5Å; Y332-K336 PolarHBondContact O-N 2.97Å; L333-K336 CarbonylContact O-C 3.59Å; L333-K336 PolarHBondContact O-N 2.71Å; E334-K336 PolarHBondContact O-N 3.35Å; K336-L338 HydrophobicContact CB-CB 4.49Å; K336-L338 HydrophobicContact CB-CD1 3.69Å; K336-L338 HydrophobicContact CB-CG 3.7Å; K336-L338 HydrophobicContact CG-CD1 4.49Å; K336-L338 PolarHBondContact O-N 3.48Å; K336-L338 VanDerWaalsContact O-N 3.17Å
337D92.9Very high93.3Very high102 Ų10231.4 Ų31.455%0.54516%0.16SC..THydrogen-bonded Turntrans57.622.6-175.9175.247.1000112.8L333 E334 L339 R446L333-D337 PolarHBondContact O-N 2.81Å; L333-D337 VanDerWaalsContact O-N 3.07Å; E334-D337 PolarHBondContact O-N 3.46Å; E334-D337 VanDerWaalsContact O-N 3.09Å; D337-L339 PolarHBondContact O-N 2.88Å; D337-R446 VanDerWaalsContact O-CD 3.28Å; D337-R446 WeakPolarHBondContact O-CD 3.24Å; D337-R446 PolarHBondContact O-NE 3.32Å; D337-R446 VanDerWaalsContact O-NE 3.1Å; D337-R446 PolarHBondContact O-NH1 3.41Å; D337-R446 PolarHBondContact O-NH2 3.11Å; D337-R446 IonicContact OD1-NH1 3.4Å; D337-R446 PolarHBondContact OD1-NH1 3.47Å; D337-R446 IonicContact OD2-CZ 2.68Å; D337-R446 IonicContact OD2-NH1 3.49Å; D337-R446 PolarHBondContact OD2-NH1 2.95Å; D337-R446 IonicContact OD2-NH2 3.13Å; D337-R446 PolarHBondContact OD2-NH2 3.45Å
338L94.3Very high93.4Very high27 Ų2733.2 Ų33.214%0.14116%0.164CC..  trans-8414.6-173.4-68.3177.5000114.5L333 K336 T447 T486L333-L338 HydrophobicContact CB-CB 4.19Å; L333-L338 HydrophobicContact CD2-CB 3.59Å; L333-L338 HydrophobicContact CD2-CD1 3.85Å; L333-L338 HydrophobicContact CD2-CG 4.38Å; L333-L338 PolarHBondContact O-N 2.98Å; K336-L338 HydrophobicContact CB-CB 4.49Å; K336-L338 HydrophobicContact CB-CD1 3.69Å; K336-L338 HydrophobicContact CB-CG 3.7Å; K336-L338 HydrophobicContact CG-CD1 4.49Å; K336-L338 PolarHBondContact O-N 3.48Å; K336-L338 VanDerWaalsContact O-N 3.17Å; L338-T447 WeakPolarHBondContact O-CB 3.34Å; L338-T447 PolarHBondContact O-OG1 3.36Å; L338-T486 HydrophobicContact CD1-CG2 4.4Å
339L93.3Very high93.5Very high20 Ų2036.9 Ų36.911%0.10519%0.187CC..  trans-89.7157174.4-63.1177.7000111L333 E334 D337 M341 R429 R446L333-L339 HydrophobicContact CB-CD2 4.14Å; L333-L339 HydrophobicContact CB-CG 4.49Å; E334-L339 HydrophobicContact CB-CD1 4.19Å; E334-L339 HydrophobicContact CG-CD1 4.44Å; D337-L339 PolarHBondContact O-N 2.88Å; L339-M341 HydrophobicContact CD2-CB 4.19Å; L339-M341 HydrophobicContact CD2-CG 3.79Å; L339-M341 HydrophobicContact CD2-SD 4.16Å; L339-R429 HydrophobicContact CD1-CB 4.44Å; L339-R446 WeakPolarHBondContact O-CD 3.47Å
340P95.1Very high93.5Very high20 Ų2039 Ų3913%0.1320%0.198CC..SBendcis-74.9156.1-2.633.1-36.6000112.7F423 R429 R446 T447P340-F423 HydrophobicContact CB-CE2 4.07Å; P340-F423 HydrophobicContact CB-CZ 4.19Å; P340-F423 HydrophobicContact CG-CZ 4.34Å; P340-R429 CarbonylContact C-O 3.57Å; P340-R429 VanDerWaalsContact CA-O 3.31Å; P340-R429 WeakPolarHBondContact CA-O 3.28Å; P340-R446 PolarHBondContact O-N 3.01Å; P340-T447 PolarHBondContact O-N 3.36Å
341M95.4Very high93.6Very high0 Ų039 Ų390%020%0.198CC..EExtended strand (participates in β ladder)trans-119.4145.6179.363.7172.6-78.900113.3W326 I330 L333 L339 A343 R429 I430 L431 T447 V449W326-M341 HydrophobicContact CZ3-CE 4Å; I330-M341 HydrophobicContact CG1-SD 4.28Å; L333-M341 HydrophobicContact CD1-CB 4.37Å; L333-M341 HydrophobicContact CD1-CE 4.32Å; L333-M341 HydrophobicContact CD1-CG 4.47Å; L333-M341 HydrophobicContact CD1-SD 3.45Å; L333-M341 WeakPolarHBondContact CD1-SD 3.44Å; L339-M341 HydrophobicContact CD2-CB 4.19Å; L339-M341 HydrophobicContact CD2-CG 3.79Å; L339-M341 HydrophobicContact CD2-SD 4.16Å; M341-A343 HydrophobicContact CE-CB 4.05Å; M341-R429 PolarHBondContact N-O 3.26Å; M341-I430 HydrophobicContact CE-CG2 4.23Å; M341-I430 HydrophobicContact CG-CB 4.21Å; M341-I430 HydrophobicContact CG-CG1 3.85Å; M341-I430 HydrophobicContact CG-CG2 4.14Å; M341-I430 HydrophobicContact SD-CD1 4.2Å; M341-I430 HydrophobicContact SD-CG1 4Å; M341-I430 HydrophobicContact SD-CG2 4.21Å; M341-L431 PolarHBondContact O-N 2.94Å; M341-T447 VanDerWaalsContact CA-O 3.29Å; M341-T447 WeakPolarHBondContact CA-O 3.49Å; M341-V449 HydrophobicContact CE-CB 4.22Å; M341-V449 HydrophobicContact CE-CG2 3.65Å
342V96.2Very high93.8Very high0 Ų039.1 Ų39.10%020%0.195CC..EExtended strand (participates in β ladder)trans-115.1119.2168.7175.50000108.8F344 F423 L431 A433 F437 A445 T447 V448 V449V342-F344 HydrophobicContact CG1-CD2 4.4Å; V342-F344 HydrophobicContact CG1-CE1 4.12Å; V342-F344 HydrophobicContact CG1-CE2 3.93Å; V342-F344 HydrophobicContact CG1-CZ 3.77Å; V342-F423 HydrophobicContact CG2-CE1 4.29Å; V342-F423 HydrophobicContact CG2-CE2 4.05Å; V342-F423 HydrophobicContact CG2-CZ 3.58Å; V342-L431 CarbonylContact C-O 3.6Å; V342-L431 WeakPolarHBondContact CA-O 3.27Å; V342-L431 HydrophobicContact CG2-CB 4.28Å; V342-L431 HydrophobicContact CG2-CD2 4.34Å; V342-A433 HydrophobicContact CG1-CB 4.08Å; V342-F437 HydrophobicContact CG1-CD1 4.05Å; V342-F437 HydrophobicContact CG1-CE1 4.07Å; V342-F437 HydrophobicContact CG2-CE1 3.94Å; V342-A445 HydrophobicContact CB-CB 4.38Å; V342-A445 HydrophobicContact CG2-CB 3.73Å; V342-T447 PolarHBondContact N-O 3.17Å; V342-V448 CarbonylContact O-C 3.54Å; V342-V448 WeakPolarHBondContact O-CA 3.5Å; V342-V449 PolarHBondContact O-N 3.04Å
343A96.8Very high93.8Very high0 Ų041.8 Ų41.80%021%0.205CC..EExtended strand (participates in β ladder)trans-99.1108.5176.700000110.3W326 M341 L431 F432 A433 V449W326-A343 HydrophobicContact CH2-CB 3.76Å; W326-A343 HydrophobicContact CZ3-CB 4.15Å; M341-A343 HydrophobicContact CE-CB 4.05Å; A343-L431 PolarHBondContact N-O 3.18Å; A343-F432 HydrophobicContact CB-CD1 3.59Å; A343-F432 HydrophobicContact CB-CE1 3.73Å; A343-F432 HydrophobicContact CB-CG 4.46Å; A343-F432 WeakPolarHBondContact O-CA 2.49Å; A343-A433 PolarHBondContact O-N 3.49Å; A343-V449 CarbonylContact C-O 3.57Å; A343-V449 WeakPolarHBondContact CA-O 3.3Å; A343-V449 HydrophobicContact CB-CB 4.35Å
344F96.8Very high93.8Very high0 Ų041.8 Ų41.80%021%0.205CC..EExtended strand (participates in β ladder)trans-77.8122.8174.8-72.2-67.6000111.3V342 A433 F437 A438 V448 V449 F450 D451 M472 R475V342-F344 HydrophobicContact CG1-CD2 4.4Å; V342-F344 HydrophobicContact CG1-CE1 4.12Å; V342-F344 HydrophobicContact CG1-CE2 3.93Å; V342-F344 HydrophobicContact CG1-CZ 3.77Å; F344-A433 VanDerWaalsContact CA-O 3.31Å; F344-A433 WeakPolarHBondContact CA-O 3.44Å; F344-A433 HydrophobicContact CD1-CB 4.3Å; F344-A433 HydrophobicContact CE1-CB 4.24Å; F344-F437 HydrophobicContact CE1-CB 4.34Å; F344-F437 HydrophobicContact CE1-CD1 4.27Å; F344-F437 HydrophobicContact CZ-CD1 4.26Å; F344-A438 HydrophobicContact CE1-CB 3.94Å; F344-A438 HydrophobicContact CZ-CB 3.78Å; F344-V448 HydrophobicContact CD2-CG1 3.58Å; F344-V448 HydrophobicContact CE2-CG1 3.65Å; F344-V448 HydrophobicContact CE2-CG2 4.28Å; F344-V449 PolarHBondContact N-O 2.84Å; F344-F450 HydrophobicContact CB-CD1 4.4Å; F344-D451 WeakPolarHBondContact O-CB 3.44Å; F344-D451 PolarHBondContact O-N 3.3Å; F344-M472 HydrophobicContact CB-SD 4.06Å; F344-M472 HydrophobicContact CD1-CG 4.07Å; F344-M472 HydrophobicContact CD1-SD 3.92Å; F344-M472 HydrophobicContact CD2-CB 3.75Å; F344-M472 HydrophobicContact CD2-CG 3.98Å; F344-M472 HydrophobicContact CD2-SD 4.2Å; F344-M472 HydrophobicContact CE1-CG 4.06Å; F344-M472 HydrophobicContact CE1-SD 4.47Å; F344-M472 HydrophobicContact CE2-CB 3.69Å; F344-M472 HydrophobicContact CE2-CG 3.97Å; F344-M472 HydrophobicContact CG-CB 4.3Å; F344-M472 HydrophobicContact CG-CG 4.05Å; F344-M472 HydrophobicContact CG-SD 3.78Å; F344-M472 HydrophobicContact CZ-CB 4.19Å; F344-M472 HydrophobicContact CZ-CG 4.02Å; F344-R475 HydrophobicContact CZ-CG 4.37Å
345V95.4Very high93.9Very high0 Ų037.7 Ų37.70%019%0.186CC..  trans-131.3125-178-177.50000108.4S347 N350 F432 A433 T434 D451V345-S347 PolarHBondContact O-N 3.45Å; V345-S347 VanDerWaalsContact O-N 3.16Å; V345-N350 HydrophobicContact CG1-CB 3.43Å; V345-N350 VanDerWaalsContact CG1-CB 3.43Å; V345-F432 HydrophobicContact CG2-CD1 4.09Å; V345-A433 PolarHBondContact N-O 3.07Å; V345-T434 WeakPolarHBondContact O-CG2 3.4Å; V345-D451 HydrophobicContact CB-CB 4.27Å; V345-D451 HydrophobicContact CG1-CB 4.49Å; V345-D451 HydrophobicContact CG2-CB 3.69Å
346F93Very high93.9Very high48 Ų4837 Ų3721%0.21119%0.19CC..SBendtrans-8727.9-173.5-53.7-61.8000114.6E435 F450 S452 E454 K455 L464 M472F346-E435 HydrophobicContact CE1-CB 4.2Å; F346-F450 HydrophobicContact CZ-CD1 4.4Å; F346-S452 WeakPolarHBondContact CE2-O 3.49Å; F346-E454 WeakPolarHBondContact CD2-O 3.28Å; F346-K455 HydrophobicContact CB-CB 3.74Å; F346-K455 HydrophobicContact CD1-CB 4.1Å; F346-K455 HydrophobicContact CD1-CD 4.29Å; F346-K455 HydrophobicContact CD2-CB 3.78Å; F346-K455 HydrophobicContact CE2-CB 4.49Å; F346-K455 HydrophobicContact CG-CB 3.58Å; F346-L464 HydrophobicContact CE1-CD2 4.14Å; F346-L464 HydrophobicContact CE2-CD1 4.09Å; F346-L464 HydrophobicContact CE2-CD2 4.21Å; F346-L464 HydrophobicContact CE2-CG 4.43Å; F346-L464 HydrophobicContact CZ-CD1 3.75Å; F346-L464 HydrophobicContact CZ-CD2 3.77Å; F346-L464 HydrophobicContact CZ-CG 4.24Å; F346-M472 HydrophobicContact CE1-CE 3.89Å; F346-M472 HydrophobicContact CE1-SD 3.68Å; F346-M472 HydrophobicContact CZ-CE 3.95Å; F346-M472 HydrophobicContact CZ-SD 3.92Å
347S92.3Very high93.8Very high44 Ų4433.3 Ų33.331%0.30818%0.175SC..  trans-153.8132.1174.4163.10000110.2V345 N350 C351V345-S347 PolarHBondContact O-N 3.45Å; V345-S347 VanDerWaalsContact O-N 3.16Å; S347-N350 WeakPolarHBondContact O-CB 3.47Å; S347-N350 PolarHBondContact O-N 3.22Å; S347-N350 VanDerWaalsContact O-N 3.14Å; S347-C351 PolarHBondContact O-N 3.39Å
348R93Very high93.8Very high82 Ų8228.4 Ų28.431%0.30915%0.149SC..Hα-helixtrans-57-54.6-178.9-57.9-171.1-69-131.6-3.8111.4N350 C351 D352 H408 S409 I700R348-N350 PolarHBondContact O-N 3.08Å; R348-N350 VanDerWaalsContact O-N 3.17Å; R348-C351 WeakPolarHBondContact O-CA 3.23Å; R348-C351 VanDerWaalsContact O-CB 3.25Å; R348-C351 WeakPolarHBondContact O-CB 3.28Å; R348-C351 PolarHBondContact O-N 3.44Å; R348-D352 PolarHBondContact O-N 3.34Å; R348-D352 VanDerWaalsContact O-N 3.08Å; R348-D352 VanDerWaalsContact O-OD2 3.09Å; R348-H408 HydrophobicContact CG-CB 4.16Å; R348-S409 PolarHBondContact NH1-OG 3.06Å; R348-I700 VanDerWaalsContact NH2-CD1 3.34Å
349V91.7Very high93.5Very high92 Ų9229.2 Ų29.256%0.55815%0.152SC*.Hα-helixtrans-57.6-31.9177-175.80000112.1R353V349-R353 WeakPolarHBondContact O-CB 3.46Å; V349-R353 PolarHBondContact O-N 3.45Å
350N92.6Very high93.2Very high44 Ų4432.3 Ų32.324%0.23518%0.175CC..Hα-helixtrans-74.6-31.6174.4-72.5-19.3000112.8V345 S347 R348 R353 N354V345-N350 HydrophobicContact CG1-CB 3.43Å; V345-N350 VanDerWaalsContact CG1-CB 3.43Å; S347-N350 WeakPolarHBondContact O-CB 3.47Å; S347-N350 PolarHBondContact O-N 3.22Å; S347-N350 VanDerWaalsContact O-N 3.14Å; R348-N350 PolarHBondContact O-N 3.08Å; R348-N350 VanDerWaalsContact O-N 3.17Å; N350-R353 PolarHBondContact OD1-NH2 2.99Å; N350-N354 WeakPolarHBondContact O-CB 3.28Å; N350-N354 PolarHBondContact O-N 3.24Å; N350-N354 PolarHBondContact O-ND2 3.34Å; N350-N354 PolarHBondContact O-OD1 3.44Å
351C95.1Very high92.9Very high0 Ų032.6 Ų32.60%018%0.175CC..Hα-helixtrans-60.8-53.5168.8-61.10000110.2S347 R348 R353 N354 A355 V406 F432S347-C351 PolarHBondContact O-N 3.39Å; R348-C351 WeakPolarHBondContact O-CA 3.23Å; R348-C351 VanDerWaalsContact O-CB 3.25Å; R348-C351 WeakPolarHBondContact O-CB 3.28Å; R348-C351 PolarHBondContact O-N 3.44Å; C351-R353 PolarHBondContact O-N 2.9Å; C351-N354 PolarHBondContact O-N 3.04Å; C351-A355 PolarHBondContact O-N 3.33Å; C351-V406 HydrophobicContact CB-CG1 4.23Å; C351-F432 HydrophobicContact CB-CB 4.1Å
352D94.2Very high92.8Very high37 Ų3736.4 Ų36.420%0.19820%0.196CC..Hα-helixtrans-59.4-44.8-177.5-60.1-42000111.4R348 S356 H408 Q697R348-D352 PolarHBondContact O-N 3.34Å; R348-D352 VanDerWaalsContact O-N 3.08Å; R348-D352 VanDerWaalsContact O-OD2 3.09Å; D352-S356 VanDerWaalsContact O-CB 3.3Å; D352-S356 WeakPolarHBondContact O-CB 3.29Å; D352-S356 PolarHBondContact O-N 3.45Å; D352-S356 PolarHBondContact O-OG 3.13Å; D352-H408 VanDerWaalsContact CG-CE1 3.46Å; D352-H408 IonicContact OD1-CD2 2.74Å; D352-H408 IonicContact OD1-CE1 3.67Å; D352-H408 PolarHBondContact OD1-CE1 3.37Å; D352-H408 CovalentContact OD1-NE2 1.79Å; D352-H408 IonicContact OD1-NE2 3.45Å; D352-H408 PolarHBondContact OD1-NE2 3.01Å; D352-H408 IonicContact OD2-CE1 2.89Å; D352-H408 PolarHBondContact OD2-CE1 2.84Å; D352-H408 IonicContact OD2-NE2 3.57Å; D352-H408 PolarHBondContact OD2-NE2 2.92Å; D352-Q697 PolarHBondContact OD2-NE2 2.9Å
353R93.1Very high92.5Very high91 Ų9136.7 Ų36.734%0.34320%0.197SC..Hα-helixtrans-66.6-44.7176.1-171.6-176.868.5-158.1-8.2112.8V349 N350 C351 A355 S356 M357V349-R353 WeakPolarHBondContact O-CB 3.46Å; V349-R353 PolarHBondContact O-N 3.45Å; N350-R353 PolarHBondContact OD1-NH2 2.99Å; C351-R353 PolarHBondContact O-N 2.9Å; R353-A355 VanDerWaalsContact C-N 3.34Å; R353-A355 PolarHBondContact O-N 2.76Å; R353-S356 PolarHBondContact O-N 3.39Å; R353-M357 HydrophobicContact CG-CE 3.95Å; R353-M357 HydrophobicContact CG-SD 4.37Å; R353-M357 VanDerWaalsContact O-CG 3.27Å; R353-M357 WeakPolarHBondContact O-CG 3.46Å; R353-M357 PolarHBondContact O-N 3.35Å
354N93.5Very high92.4Very high0 Ų037.4 Ų37.40%020%0.202CC..Hα-helixtrans-63.1-40.2179.4-76.6-5.6000111.2W326 N350 C351 L358 F432 D451W326-N354 PolarHBondContact NE1-ND2 3.35Å; N350-N354 WeakPolarHBondContact O-CB 3.28Å; N350-N354 PolarHBondContact O-N 3.24Å; N350-N354 PolarHBondContact O-ND2 3.34Å; N350-N354 PolarHBondContact O-OD1 3.44Å; C351-N354 PolarHBondContact O-N 3.04Å; N354-L358 WeakPolarHBondContact O-CD1 3.46Å; N354-L358 WeakPolarHBondContact O-CG 3.2Å; N354-F432 HydrophobicContact CB-CD1 3.87Å; N354-F432 HydrophobicContact CB-CE1 3.73Å; N354-F432 HydrophobicContact CB-CG 4.34Å; N354-F432 HydrophobicContact CB-CZ 4.08Å; N354-D451 PolarHBondContact ND2-OD1 3.49Å
355A94Very high92.2Very high0 Ų040 Ų400%022%0.22CC..Hα-helixtrans-66.3-46.4174.300000111.7C351 R353 M357 L358 M359 M399 I404 V406 F432C351-A355 PolarHBondContact O-N 3.33Å; R353-A355 VanDerWaalsContact C-N 3.34Å; R353-A355 PolarHBondContact O-N 2.76Å; A355-M357 VanDerWaalsContact C-N 3.31Å; A355-M357 PolarHBondContact O-N 3.04Å; A355-L358 PolarHBondContact O-N 3.04Å; A355-M359 PolarHBondContact O-N 3.27Å; A355-M399 HydrophobicContact CB-CE 3.74Å; A355-M399 HydrophobicContact CB-SD 3.98Å; A355-I404 HydrophobicContact CB-CG2 4.12Å; A355-V406 HydrophobicContact CB-CG1 3.57Å; A355-F432 HydrophobicContact CB-CD2 3.92Å; A355-F432 HydrophobicContact CB-CE2 4.35Å
356S91.9Very high92.2Very high65 Ų6545.7 Ų45.746%0.45525%0.25SS..Hα-helixtrans-60.9-36.6179.2-59.40000113D352 R353 L358 M359D352-S356 VanDerWaalsContact O-CB 3.3Å; D352-S356 WeakPolarHBondContact O-CB 3.29Å; D352-S356 PolarHBondContact O-N 3.45Å; D352-S356 PolarHBondContact O-OG 3.13Å; R353-S356 PolarHBondContact O-N 3.39Å; S356-L358 PolarHBondContact O-N 3.33Å; S356-M359 WeakPolarHBondContact O-CG 3.28Å; S356-M359 PolarHBondContact O-N 3.25Å
357M90.1Very high92.3Very high27 Ų2746.4 Ų46.413%0.13327%0.265CS..Hα-helixtrans-59.7-24.5173.7-78.1171.7168.200113.7F319 T322 K323 R353 A355F319-M357 HydrophobicContact CB-CE 4.41Å; F319-M357 HydrophobicContact CD1-CE 3.51Å; F319-M357 HydrophobicContact CE1-CE 4.16Å; F319-M357 HydrophobicContact CG-CE 4.28Å; T322-M357 HydrophobicContact CG2-SD 4.37Å; K323-M357 HydrophobicContact CB-CB 4.49Å; K323-M357 WeakPolarHBondContact CE-O 3.42Å; K323-M357 HydrophobicContact CG-CB 4.41Å; R353-M357 HydrophobicContact CG-CE 3.95Å; R353-M357 HydrophobicContact CG-SD 4.37Å; R353-M357 VanDerWaalsContact O-CG 3.27Å; R353-M357 WeakPolarHBondContact O-CG 3.46Å; R353-M357 PolarHBondContact O-N 3.35Å; A355-M357 VanDerWaalsContact C-N 3.31Å; A355-M357 PolarHBondContact O-N 3.04Å
358L91.2Very high92.5Very high0 Ų045.9 Ų45.90%026%0.258CS..THydrogen-bonded Turntrans-104.33.6-172-66.9170.1000114.2W326 I327 I330 N354 A355 S356 S360 M361 I404 F432W326-L358 HydrophobicContact CB-CD1 4.13Å; W326-L358 HydrophobicContact CB-CD2 3.88Å; W326-L358 HydrophobicContact CB-CG 4.38Å; W326-L358 HydrophobicContact CG-CD1 4.46Å; I327-L358 HydrophobicContact CG1-CD2 3.73Å; I330-L358 HydrophobicContact CD1-CD1 3.53Å; I330-L358 HydrophobicContact CD1-CD2 3.83Å; I330-L358 HydrophobicContact CD1-CG 4.3Å; N354-L358 WeakPolarHBondContact O-CD1 3.46Å; N354-L358 WeakPolarHBondContact O-CG 3.2Å; A355-L358 PolarHBondContact O-N 3.04Å; S356-L358 PolarHBondContact O-N 3.33Å; L358-S360 PolarHBondContact O-N 2.93Å; L358-M361 HydrophobicContact CD2-SD 3.86Å; L358-M361 WeakPolarHBondContact O-CB 3.3Å; L358-M361 PolarHBondContact O-N 3.08Å; L358-I404 HydrophobicContact CB-CD1 3.91Å; L358-F432 HydrophobicContact CD1-CE2 3.75Å; L358-F432 HydrophobicContact CD1-CZ 3.52Å
359M87.9Confident92.6Very high44 Ų4444.3 Ų44.322%0.21725%0.253CS..THydrogen-bonded Turntrans-59.4-15.9178.1-66.1-59.9-72.400114.3A355 S356 M361 E398 M399 R402A355-M359 PolarHBondContact O-N 3.27Å; S356-M359 WeakPolarHBondContact O-CG 3.28Å; S356-M359 PolarHBondContact O-N 3.25Å; M359-M361 VanDerWaalsContact C-N 3.27Å; M359-E398 HydrophobicContact CE-CB 4.32Å; M359-E398 HydrophobicContact CE-CG 3.82Å; M359-M399 HydrophobicContact CE-CG 4.08Å; M359-M399 HydrophobicContact SD-CB 4.3Å; M359-M399 HydrophobicContact SD-CE 4.49Å; M359-M399 HydrophobicContact SD-CG 3.5Å; M359-M399 WeakPolarHBondContact SD-CG 3.46Å; M359-R402 PolarHBondContact O-NH1 3.49Å
360S87.7Confident92.8Very high84 Ų8442.3 Ų42.359%0.58724%0.243SC*.THydrogen-bonded Turntrans-76-9.417155.40000114.3L358L358-S360 PolarHBondContact O-N 2.93Å
361M88.8Confident93Very high26 Ų2646.2 Ų46.213%0.12826%0.258CS..  trans-94.7148.5170.8-55.6-171.582.600109.8I327 I330 L358 M359I327-M361 HydrophobicContact CB-SD 4.33Å; I327-M361 HydrophobicContact CG1-SD 3.91Å; I327-M361 HydrophobicContact CG2-CE 4.22Å; I327-M361 HydrophobicContact CG2-SD 4.3Å; I330-M361 HydrophobicContact CB-CE 4.18Å; I330-M361 HydrophobicContact CB-SD 4.34Å; I330-M361 HydrophobicContact CD1-SD 4.08Å; I330-M361 HydrophobicContact CG2-CE 3.67Å; I330-M361 HydrophobicContact CG2-SD 4.09Å; L358-M361 HydrophobicContact CD2-SD 3.86Å; L358-M361 WeakPolarHBondContact O-CB 3.3Å; L358-M361 PolarHBondContact O-N 3.08Å; M359-M361 VanDerWaalsContact C-N 3.27Å
362D92.8Very high93Very high80 Ų8046.2 Ų46.243%0.42826%0.258SS..  trans-136.2109.1177.6179.410000108.3T364 K369D362-T364 PolarHBondContact OD1-N 3.48Å; D362-T364 PolarHBondContact OD1-OG1 3.34Å; D362-K369 VanDerWaalsContact OD1-CE 3.23Å; D362-K369 WeakPolarHBondContact OD1-CE 3.39Å; D362-K369 IonicContact OD1-NZ 3.72Å; D362-K369 VanDerWaalsContact OD2-CE 3.3Å; D362-K369 WeakPolarHBondContact OD2-CE 3.48Å; D362-K369 IonicContact OD2-NZ 3.76Å; D362-K369 PolarHBondContact OD2-NZ 3.31Å
363L91.6Very high93Very high6 Ų648.6 Ų48.63%0.03127%0.268CS..  trans-105.829.2-170.7-56.1174.5000111.1I330 R402 I404 R429 I430I330-L363 HydrophobicContact CG2-CD1 4.3Å; I330-L363 HydrophobicContact CG2-CD2 4.39Å; L363-R402 WeakPolarHBondContact CB-O 3.36Å; L363-R402 PolarHBondContact N-O 2.95Å; L363-I404 HydrophobicContact CD1-CG1 4.34Å; L363-R429 VanDerWaalsContact O-CD 3.3Å; L363-R429 WeakPolarHBondContact O-CD 3.5Å; L363-R429 PolarHBondContact O-NE 3.41Å; L363-R429 PolarHBondContact O-NH1 2.76Å; L363-R429 VanDerWaalsContact O-NH1 3.1Å; L363-R429 PolarHBondContact O-NH2 2.81Å; L363-I430 HydrophobicContact CD1-CD1 3.35Å; L363-I430 HydrophobicContact CD1-CG1 3.7Å
364T92.9Very high93.1Very high15 Ų1552.5 Ų52.59%0.09228%0.283CS..  trans-143.5145.2-174.262.70000113.5D362 E368 K369 K401D362-T364 PolarHBondContact OD1-N 3.48Å; D362-T364 PolarHBondContact OD1-OG1 3.34Å; T364-E368 HydrophobicContact CG2-CB 4.43Å; T364-K369 WeakPolarHBondContact O-CE 3.42Å; T364-K369 WeakPolarHBondContact OG1-CE 3.47Å; T364-K369 WeakPolarHBondContact OG1-CG 3.42Å; T364-K401 PolarHBondContact OG1-O 2.76Å
365S94.5Very high93.1Very high55 Ų5554.4 Ų54.439%0.38529%0.291SS..  trans-73.9158.9166.966.80000111.7A367 E368 K369S365-A367 PolarHBondContact O-N 2.9Å; S365-A367 VanDerWaalsContact O-N 3.13Å; S365-E368 VanDerWaalsContact CB-OE2 3.23Å; S365-E368 WeakPolarHBondContact CB-OE2 3.14Å; S365-E368 PolarHBondContact N-OE2 3.21Å; S365-E368 WeakPolarHBondContact O-CB 3.39Å; S365-E368 PolarHBondContact O-N 3.04Å; S365-E368 WeakPolarHBondContact OG-CG 3.4Å; S365-E368 PolarHBondContact OG-N 3.45Å; S365-E368 PolarHBondContact OG-OE2 3.31Å; S365-K369 WeakPolarHBondContact O-CG 3.48Å; S365-K369 PolarHBondContact O-N 3.03Å
366N94.5Very high93Very high119 Ų11954.4 Ų54.464%0.63629%0.291SS*.Hα-helixtrans-61.8-22.9175.9-63.2-16.8000112.9K369 S370N366-K369 PolarHBondContact OD1-NZ 3.38Å; N366-K369 VanDerWaalsContact OD1-NZ 3.16Å; N366-S370 WeakPolarHBondContact O-CB 3.45Å; N366-S370 PolarHBondContact O-N 3.13Å; N366-S370 VanDerWaalsContact O-N 3.09Å; N366-S370 PolarHBondContact O-OG 2.89Å
367A95.6Very high93Very high63 Ų6355.5 Ų55.552%0.52129%0.289SS..Hα-helixtrans-73.5-40.117200000112.4S365 S370 K371S365-A367 PolarHBondContact O-N 2.9Å; S365-A367 VanDerWaalsContact O-N 3.13Å; A367-S370 PolarHBondContact O-N 2.98Å; A367-K371 WeakPolarHBondContact O-CG 3.28Å; A367-K371 PolarHBondContact O-N 3.39Å
368E95.6Very high92.9Very high34 Ų3459.6 Ų59.616%0.15931%0.307CS..Hα-helixtrans-64.9-47.5172.5-72.1159.511100110.7T364 S365 S370 K371 V372 L427 R429T364-E368 HydrophobicContact CG2-CB 4.43Å; S365-E368 VanDerWaalsContact CB-OE2 3.23Å; S365-E368 WeakPolarHBondContact CB-OE2 3.14Å; S365-E368 PolarHBondContact N-OE2 3.21Å; S365-E368 WeakPolarHBondContact O-CB 3.39Å; S365-E368 PolarHBondContact O-N 3.04Å; S365-E368 WeakPolarHBondContact OG-CG 3.4Å; S365-E368 PolarHBondContact OG-N 3.45Å; S365-E368 PolarHBondContact OG-OE2 3.31Å; E368-S370 VanDerWaalsContact C-N 3.26Å; E368-S370 PolarHBondContact O-N 2.97Å; E368-K371 WeakPolarHBondContact O-CA 3.11Å; E368-K371 WeakPolarHBondContact O-CB 3.26Å; E368-K371 PolarHBondContact O-N 3.3Å; E368-V372 WeakPolarHBondContact O-CG2 3.43Å; E368-V372 PolarHBondContact O-N 2.97Å; E368-L427 HydrophobicContact CB-CD2 3.87Å; E368-L427 HydrophobicContact CG-CD2 3.81Å; E368-R429 IonicContact OE1-CZ 2.8Å; E368-R429 IonicContact OE1-NE 3.34Å; E368-R429 IonicContact OE1-NH2 2.72Å; E368-R429 PolarHBondContact OE1-NH2 3.25Å; E368-R429 IonicContact OE2-NH2 3.24Å; E368-R429 PolarHBondContact OE2-NH2 3.46Å
369K96Very high92.8Very high49 Ų4959.7 Ų59.721%0.21331%0.308CS..Hα-helixtrans-52.2-44173.2-67.6172.1-164.6166.30112.5D362 T364 S365 N366 K371 V372 H373 K401D362-K369 VanDerWaalsContact OD1-CE 3.23Å; D362-K369 WeakPolarHBondContact OD1-CE 3.39Å; D362-K369 IonicContact OD1-NZ 3.72Å; D362-K369 VanDerWaalsContact OD2-CE 3.3Å; D362-K369 WeakPolarHBondContact OD2-CE 3.48Å; D362-K369 IonicContact OD2-NZ 3.76Å; D362-K369 PolarHBondContact OD2-NZ 3.31Å; T364-K369 WeakPolarHBondContact O-CE 3.42Å; T364-K369 WeakPolarHBondContact OG1-CE 3.47Å; T364-K369 WeakPolarHBondContact OG1-CG 3.42Å; S365-K369 WeakPolarHBondContact O-CG 3.48Å; S365-K369 PolarHBondContact O-N 3.03Å; N366-K369 PolarHBondContact OD1-NZ 3.38Å; N366-K369 VanDerWaalsContact OD1-NZ 3.16Å; K369-K371 VanDerWaalsContact C-N 3.33Å; K369-K371 PolarHBondContact O-N 3.03Å; K369-V372 PolarHBondContact O-N 2.89Å; K369-H373 WeakPolarHBondContact O-CB 3.2Å; K369-H373 PolarHBondContact O-N 2.99Å; K369-K401 WeakPolarHBondContact CG-O 3.39Å
370S95.6Very high92.6Very high50 Ų5058.1 Ų58.135%0.3530%0.3SS..Hα-helixtrans-64.1-34.6177.7-63.20000113N366 A367 E368 R374N366-S370 WeakPolarHBondContact O-CB 3.45Å; N366-S370 PolarHBondContact O-N 3.13Å; N366-S370 VanDerWaalsContact O-N 3.09Å; N366-S370 PolarHBondContact O-OG 2.89Å; A367-S370 PolarHBondContact O-N 2.98Å; E368-S370 VanDerWaalsContact C-N 3.26Å; E368-S370 PolarHBondContact O-N 2.97Å; S370-R374 VanDerWaalsContact O-CG 3.29Å; S370-R374 WeakPolarHBondContact O-CG 3.49Å; S370-R374 PolarHBondContact O-N 3.05Å
371K95.8Very high92.5Very high125 Ų12557.2 Ų57.254%0.54330%0.298SS..Hα-helixtrans-69.5-48.5173.1-68.5172.2-179.4179.50111.1A367 E368 K369 H373 R374 F375 L427A367-K371 WeakPolarHBondContact O-CG 3.28Å; A367-K371 PolarHBondContact O-N 3.39Å; E368-K371 WeakPolarHBondContact O-CA 3.11Å; E368-K371 WeakPolarHBondContact O-CB 3.26Å; E368-K371 PolarHBondContact O-N 3.3Å; K369-K371 VanDerWaalsContact C-N 3.33Å; K369-K371 PolarHBondContact O-N 3.03Å; K371-H373 PolarHBondContact O-N 3.2Å; K371-R374 PolarHBondContact O-N 3.14Å; K371-F375 WeakPolarHBondContact O-CB 3.34Å; K371-F375 PolarHBondContact O-N 2.68Å; K371-L427 HydrophobicContact CB-CD1 4.24Å; K371-L427 HydrophobicContact CD-CD2 4.37Å
372V95.2Very high92.1Very high0 Ų059.4 Ų59.40%031%0.305CS..Hα-helixtrans-57.4-47.3179.1174.60000111.1E368 K369 F375 F376 C400 K401 L422 L427E368-V372 WeakPolarHBondContact O-CG2 3.43Å; E368-V372 PolarHBondContact O-N 2.97Å; K369-V372 PolarHBondContact O-N 2.89Å; V372-F375 PolarHBondContact O-N 3.36Å; V372-F376 HydrophobicContact CG1-CD2 3.74Å; V372-F376 HydrophobicContact CG1-CE2 3.67Å; V372-F376 VanDerWaalsContact O-CD2 3.28Å; V372-F376 WeakPolarHBondContact O-CD2 3.45Å; V372-F376 PolarHBondContact O-N 3.11Å; V372-C400 HydrophobicContact CG1-CB 4Å; V372-K401 HydrophobicContact CG1-CG 4.18Å; V372-L422 HydrophobicContact CG1-CD1 4.21Å; V372-L422 HydrophobicContact CG2-CD2 4.27Å; V372-L427 HydrophobicContact CG2-CB 3.94Å; V372-L427 HydrophobicContact CG2-CD1 3.99Å; V372-L427 HydrophobicContact CG2-CD2 4.47Å; V372-L427 HydrophobicContact CG2-CG 4.36Å
373H94.7Very high91.8Very high88 Ų8855.8 Ų55.841%0.40729%0.286SS..Hα-helixtrans-59.9-51.2178.4177.826.6000112.1K369 K371 F375 F376 E377K369-H373 WeakPolarHBondContact O-CB 3.2Å; K369-H373 PolarHBondContact O-N 2.99Å; K371-H373 PolarHBondContact O-N 3.2Å; H373-F375 VanDerWaalsContact C-N 3.28Å; H373-F375 PolarHBondContact O-N 3.11Å; H373-F376 PolarHBondContact O-N 2.95Å; H373-F376 VanDerWaalsContact O-N 3.1Å; H373-E377 IonicContact CE1-OE1 3.67Å; H373-E377 PolarHBondContact CE1-OE1 3.32Å; H373-E377 IonicContact ND1-OE1 2.69Å; H373-E377 PolarHBondContact ND1-OE1 3.36Å; H373-E377 WeakPolarHBondContact O-CG 3.5Å; H373-E377 PolarHBondContact O-N 3.32Å
374R94.5Very high91.4Very high173 Ų17358.5 Ų58.565%0.65330%0.3SS*.Hα-helixtrans-59.5-37.6177.9-68.4174.2-155161.25.2112.9S370 K371 E377 H378S370-R374 VanDerWaalsContact O-CG 3.29Å; S370-R374 WeakPolarHBondContact O-CG 3.49Å; S370-R374 PolarHBondContact O-N 3.05Å; K371-R374 PolarHBondContact O-N 3.14Å; R374-E377 PolarHBondContact O-N 3.28Å; R374-H378 PolarHBondContact O-N 2.94Å; R374-H378 VanDerWaalsContact O-N 3.11Å
375F93.7Very high91Very high39 Ų3962.3 Ų62.317%0.17133%0.325CS..Hα-helixtrans-63.2-43.5175.7176.3-102000111.4K371 V372 H373 H378 C379 A418 I421 L422 L748K371-F375 WeakPolarHBondContact O-CB 3.34Å; K371-F375 PolarHBondContact O-N 2.68Å; V372-F375 PolarHBondContact O-N 3.36Å; H373-F375 VanDerWaalsContact C-N 3.28Å; H373-F375 PolarHBondContact O-N 3.11Å; F375-H378 PolarHBondContact O-N 3.06Å; F375-C379 PolarHBondContact O-N 2.91Å; F375-C379 VanDerWaalsContact O-N 3.09Å; F375-C379 PolarHBondContact O-SG 3.12Å; F375-A418 HydrophobicContact CE1-CB 3.87Å; F375-I421 HydrophobicContact CE2-CG2 3.81Å; F375-I421 HydrophobicContact CZ-CB 3.93Å; F375-I421 HydrophobicContact CZ-CD1 4.21Å; F375-I421 HydrophobicContact CZ-CG2 3.68Å; F375-L422 HydrophobicContact CB-CD2 4.37Å; F375-L422 HydrophobicContact CD1-CD1 3.94Å; F375-L422 HydrophobicContact CD1-CD2 3.59Å; F375-L422 HydrophobicContact CD1-CG 3.73Å; F375-L422 HydrophobicContact CE1-CD1 4.13Å; F375-L422 HydrophobicContact CE1-CD2 4.06Å; F375-L422 HydrophobicContact CE1-CG 3.76Å; F375-L422 HydrophobicContact CG-CD2 4.04Å; F375-L748 HydrophobicContact CZ-CD1 4.46Å
376F92.7Very high90.4Very high0 Ų062.1 Ų62.10%032%0.324CS..Hα-helixtrans-66.6-41.3174.4-80.6-65.3000113.2V372 H373 H378 C379 F380 Q397 C400 M415 A418 L422V372-F376 HydrophobicContact CG1-CD2 3.74Å; V372-F376 HydrophobicContact CG1-CE2 3.67Å; V372-F376 VanDerWaalsContact O-CD2 3.28Å; V372-F376 WeakPolarHBondContact O-CD2 3.45Å; V372-F376 PolarHBondContact O-N 3.11Å; H373-F376 PolarHBondContact O-N 2.95Å; H373-F376 VanDerWaalsContact O-N 3.1Å; F376-H378 VanDerWaalsContact C-N 3.26Å; F376-H378 PolarHBondContact O-N 2.93Å; F376-C379 CarbonylContact O-C 3.52Å; F376-C379 WeakPolarHBondContact O-CA 3.37Å; F376-C379 WeakPolarHBondContact O-CB 3.43Å; F376-C379 PolarHBondContact O-N 3.04Å; F376-F380 HydrophobicContact CB-CE1 4.16Å; F376-F380 HydrophobicContact CB-CE2 4.09Å; F376-F380 HydrophobicContact CB-CZ 3.87Å; F376-F380 AromaticContact CD1-CE1 3.74Å; F376-F380 HydrophobicContact CD1-CE1 3.74Å; F376-F380 AromaticContact CD1-CZ 3.91Å; F376-F380 HydrophobicContact CD1-CZ 3.91Å; F376-F380 HydrophobicContact CG-CE1 4.36Å; F376-F380 HydrophobicContact CG-CZ 4.16Å; F376-F380 WeakPolarHBondContact O-CB 3.49Å; F376-F380 VanDerWaalsContact O-CD1 3.28Å; F376-F380 WeakPolarHBondContact O-CD1 3.39Å; F376-F380 WeakPolarHBondContact O-CG 3.44Å; F376-F380 PolarHBondContact O-N 3.28Å; F376-Q397 HydrophobicContact CB-CG 3.87Å; F376-Q397 HydrophobicContact CD1-CG 4.34Å; F376-Q397 HydrophobicContact CD2-CB 4.4Å; F376-Q397 HydrophobicContact CD2-CG 3.51Å; F376-Q397 HydrophobicContact CE2-CG 4.1Å; F376-Q397 HydrophobicContact CG-CG 3.65Å; F376-C400 HydrophobicContact CE2-CB 3.63Å; F376-C400 HydrophobicContact CZ-CB 4.02Å; F376-M415 HydrophobicContact CD1-CE 4.2Å; F376-M415 HydrophobicContact CE1-CE 3.5Å; F376-M415 VanDerWaalsContact CE1-CE 3.5Å; F376-M415 HydrophobicContact CE1-SD 4.29Å; F376-M415 HydrophobicContact CZ-CE 4.22Å; F376-A418 HydrophobicContact CE1-CB 3.8Å; F376-A418 HydrophobicContact CZ-CB 4.35Å; F376-L422 HydrophobicContact CD2-CD1 4.4Å; F376-L422 HydrophobicContact CE2-CD1 3.5Å; F376-L422 HydrophobicContact CZ-CD1 3.66Å
377E90.9Very high90Very high89 Ų8956.6 Ų56.642%0.41629%0.294SS..Hα-helixtrans-57.7-40.2174.8-62.5-43.3122.900112.1H373 R374 C379 F380 A381 Q397H373-E377 IonicContact CE1-OE1 3.67Å; H373-E377 PolarHBondContact CE1-OE1 3.32Å; H373-E377 IonicContact ND1-OE1 2.69Å; H373-E377 PolarHBondContact ND1-OE1 3.36Å; H373-E377 WeakPolarHBondContact O-CG 3.5Å; H373-E377 PolarHBondContact O-N 3.32Å; R374-E377 PolarHBondContact O-N 3.28Å; E377-C379 VanDerWaalsContact C-N 3.35Å; E377-C379 PolarHBondContact O-N 2.9Å; E377-F380 PolarHBondContact O-N 2.74Å; E377-A381 PolarHBondContact O-N 3.07Å; E377-Q397 PolarHBondContact OE1-NE2 2.87Å
378H89.3Confident89.5Confident112 Ų11257.9 Ų57.952%0.51929%0.286SS..Hα-helixtrans-67.4-31.5175179.271.4000113.5R374 F375 F376 R382R374-H378 PolarHBondContact O-N 2.94Å; R374-H378 VanDerWaalsContact O-N 3.11Å; F375-H378 PolarHBondContact O-N 3.06Å; F376-H378 VanDerWaalsContact C-N 3.26Å; F376-H378 PolarHBondContact O-N 2.93Å; H378-R382 PolarHBondContact NE2-NH2 2.88Å; H378-R382 PolarHBondContact O-NE 3.47Å
379C87.6Confident89Confident2 Ų261.7 Ų61.71%0.01431%0.307CS..Hα-helixtrans-72.4-41.7171.1-62.10000111.3F375 F376 E377 A381 R382F375-C379 PolarHBondContact O-N 2.91Å; F375-C379 VanDerWaalsContact O-N 3.09Å; F375-C379 PolarHBondContact O-SG 3.12Å; F376-C379 CarbonylContact O-C 3.52Å; F376-C379 WeakPolarHBondContact O-CA 3.37Å; F376-C379 WeakPolarHBondContact O-CB 3.43Å; F376-C379 PolarHBondContact O-N 3.04Å; E377-C379 VanDerWaalsContact C-N 3.35Å; E377-C379 PolarHBondContact O-N 2.9Å; C379-A381 VanDerWaalsContact C-N 3.35Å; C379-A381 PolarHBondContact O-N 3.23Å; C379-R382 WeakPolarHBondContact O-CB 3.32Å; C379-R382 WeakPolarHBondContact O-CD 3.28Å; C379-R382 WeakPolarHBondContact O-CG 3.46Å; C379-R382 PolarHBondContact O-N 3.2Å
380F84.2Confident88.5Confident11 Ų1159.8 Ų59.85%0.04830%0.301CS..Hα-helixtrans-70.5-29.4-176.1-65.5-6.5000112.7F376 E377 R382 L383 R388 I393 Q397 M415F376-F380 HydrophobicContact CB-CE1 4.16Å; F376-F380 HydrophobicContact CB-CE2 4.09Å; F376-F380 HydrophobicContact CB-CZ 3.87Å; F376-F380 AromaticContact CD1-CE1 3.74Å; F376-F380 HydrophobicContact CD1-CE1 3.74Å; F376-F380 AromaticContact CD1-CZ 3.91Å; F376-F380 HydrophobicContact CD1-CZ 3.91Å; F376-F380 HydrophobicContact CG-CE1 4.36Å; F376-F380 HydrophobicContact CG-CZ 4.16Å; F376-F380 WeakPolarHBondContact O-CB 3.49Å; F376-F380 VanDerWaalsContact O-CD1 3.28Å; F376-F380 WeakPolarHBondContact O-CD1 3.39Å; F376-F380 WeakPolarHBondContact O-CG 3.44Å; F376-F380 PolarHBondContact O-N 3.28Å; E377-F380 PolarHBondContact O-N 2.74Å; F380-R382 PolarHBondContact O-N 2.81Å; F380-L383 HydrophobicContact CD1-CD1 4.42Å; F380-L383 PolarHBondContact O-N 3.37Å; F380-R388 HydrophobicContact CB-CG 4.16Å; F380-R388 PolarHBondContact O-NE 3.29Å; F380-R388 PolarHBondContact O-NH2 3.34Å; F380-I393 HydrophobicContact CD1-CG2 4.22Å; F380-I393 HydrophobicContact CE1-CG2 3.3Å; F380-I393 HydrophobicContact CE2-CG2 4.28Å; F380-I393 HydrophobicContact CZ-CG2 3.33Å; F380-Q397 HydrophobicContact CE2-CG 4.35Å; F380-Q397 VanDerWaalsContact CE2-NE2 3.29Å; F380-Q397 HydrophobicContact CZ-CB 4.33Å; F380-Q397 HydrophobicContact CZ-CG 4.1Å; F380-M415 HydrophobicContact CE1-SD 4.4Å
381A86.1Confident88.2Confident66 Ų6662 Ų6255%0.54531%0.314SS..THydrogen-bonded Turntrans-51.8-25.9172.500000113.6E377 C379 R388E377-A381 PolarHBondContact O-N 3.07Å; C379-A381 VanDerWaalsContact C-N 3.35Å; C379-A381 PolarHBondContact O-N 3.23Å; A381-R388 PolarHBondContact O-NH2 3.45Å; A381-R388 VanDerWaalsContact O-NH2 3.14Å
382R81Confident88Confident71 Ų7157 Ų5727%0.26829%0.293SS..THydrogen-bonded Turntrans-85.1-18.5-179.1-46.8166-171.5-134.3-11.8113.8H378 C379 F380 L748 E751H378-R382 PolarHBondContact NE2-NH2 2.88Å; H378-R382 PolarHBondContact O-NE 3.47Å; C379-R382 WeakPolarHBondContact O-CB 3.32Å; C379-R382 WeakPolarHBondContact O-CD 3.28Å; C379-R382 WeakPolarHBondContact O-CG 3.46Å; C379-R382 PolarHBondContact O-N 3.2Å; F380-R382 PolarHBondContact O-N 2.81Å; R382-L748 VanDerWaalsContact NH1-CD2 3.28Å; R382-E751 IonicContact CZ-OE1 2.71Å; R382-E751 IonicContact CZ-OE2 2.66Å; R382-E751 IonicContact NH1-OE1 3.72Å; R382-E751 PolarHBondContact NH1-OE1 3.27Å; R382-E751 IonicContact NH1-OE2 2.64Å; R382-E751 PolarHBondContact NH1-OE2 2.83Å; R382-E751 IonicContact NH2-OE2 2.69Å; R382-E751 PolarHBondContact NH2-OE2 2.8Å
383L84.7Confident87.8Confident5 Ų557 Ų573%0.02629%0.293CS..SBendtrans-95154.6-176.7-64.2177.2000111.2F380 D387 R388 I393 I414 I742 T745F380-L383 HydrophobicContact CD1-CD1 4.42Å; F380-L383 PolarHBondContact O-N 3.37Å; L383-D387 HydrophobicContact CB-CB 4.4Å; L383-R388 HydrophobicContact CB-CG 3.98Å; L383-R388 VanDerWaalsContact O-CZ 3.26Å; L383-R388 PolarHBondContact O-NE 2.7Å; L383-R388 PolarHBondContact O-NH2 3.03Å; L383-I393 HydrophobicContact CD1-CD1 3.75Å; L383-I414 HydrophobicContact CD1-CD1 4.49Å; L383-I414 HydrophobicContact CD2-CD1 4.26Å; L383-I414 HydrophobicContact CG-CD1 4.37Å; L383-I742 HydrophobicContact CD1-CD1 4.48Å; L383-I742 HydrophobicContact CD2-CB 4.3Å; L383-I742 HydrophobicContact CD2-CD1 4.28Å; L383-I742 HydrophobicContact CD2-CG1 3.98Å; L383-T745 HydrophobicContact CD2-CG2 4.06Å
384N84.4Confident87.7Confident62 Ų6256.5 Ų56.533%0.33229%0.292SS..  trans-64152.2172.2-67.8-30.8000111.6S386 D387 R388 D741N384-S386 PolarHBondContact O-N 3.26Å; N384-D387 HydrophobicContact CB-CB 4.47Å; N384-D387 PolarHBondContact O-N 3.02Å; N384-R388 WeakPolarHBondContact O-CG 3.47Å; N384-R388 PolarHBondContact O-N 3.21Å; N384-R388 VanDerWaalsContact O-N 3.1Å; N384-D741 PolarHBondContact ND2-OD1 3.16Å
385P83.6Confident87.6Confident95 Ų9551.6 Ų51.662%0.61728%0.281SS*.Hα-helixtrans-57.9-29.4177.7-26.535.9000114.9N389P385-N389 PolarHBondContact O-ND2 3.08Å
386S83.1Confident87.7Confident52 Ų5249.9 Ų49.936%0.36427%0.274SS..Hα-helixtrans-60.2-49.5169.746.90000111.7N384 N389N384-S386 PolarHBondContact O-N 3.26Å; S386-N389 PolarHBondContact O-N 3.22Å
387D84.8Confident87.7Confident3 Ų350.7 Ų50.72%0.01628%0.278CS..Hα-helixtrans-78-32.5-165.7-54.6-3.3000110.9L383 N384 N389 A390 I393 I742L383-D387 HydrophobicContact CB-CB 4.4Å; N384-D387 HydrophobicContact CB-CB 4.47Å; N384-D387 PolarHBondContact O-N 3.02Å; D387-N389 PolarHBondContact O-N 2.98Å; D387-N389 VanDerWaalsContact O-N 3.14Å; D387-A390 WeakPolarHBondContact O-CB 3.41Å; D387-A390 PolarHBondContact O-N 2.76Å; D387-I393 WeakPolarHBondContact O-CD1 3.4Å; D387-I742 HydrophobicContact CB-CB 4.35Å; D387-I742 HydrophobicContact CB-CD1 4.39Å; D387-I742 PolarHBondContact OD2-N 3.3Å
388R86.2Confident87.9Confident90 Ų9049.3 Ų49.334%0.3427%0.271SS..Hα-helixtrans-54.2-30.8173.4-67173.7-159.9-158.2-3.4113.2F380 A381 L383 N384F380-R388 HydrophobicContact CB-CG 4.16Å; F380-R388 PolarHBondContact O-NE 3.29Å; F380-R388 PolarHBondContact O-NH2 3.34Å; A381-R388 PolarHBondContact O-NH2 3.45Å; A381-R388 VanDerWaalsContact O-NH2 3.14Å; L383-R388 HydrophobicContact CB-CG 3.98Å; L383-R388 VanDerWaalsContact O-CZ 3.26Å; L383-R388 PolarHBondContact O-NE 2.7Å; L383-R388 PolarHBondContact O-NH2 3.03Å; N384-R388 WeakPolarHBondContact O-CG 3.47Å; N384-R388 PolarHBondContact O-N 3.21Å; N384-R388 VanDerWaalsContact O-N 3.1Å
389N84.6Confident88.2Confident113 Ų11344.1 Ų44.160%0.60425%0.248SC*.THydrogen-bonded Turntrans-92.76.1-177.9-66-60.4000113.3P385 S386 D387P385-N389 PolarHBondContact O-ND2 3.08Å; S386-N389 PolarHBondContact O-N 3.22Å; D387-N389 PolarHBondContact O-N 2.98Å; D387-N389 VanDerWaalsContact O-N 3.14Å
390A86.2Confident88.6Confident10 Ų1044 Ų448%0.08325%0.247CC..  trans-60.1132.7178.900000111.4D387 Q392 I393 L394D387-A390 WeakPolarHBondContact O-CB 3.41Å; D387-A390 PolarHBondContact O-N 2.76Å; A390-Q392 PolarHBondContact O-N 3.25Å; A390-I393 HydrophobicContact CB-CB 4.49Å; A390-I393 HydrophobicContact CB-CD1 4.32Å; A390-I393 HydrophobicContact CB-CG1 4.17Å; A390-I393 WeakPolarHBondContact O-CB 3.34Å; A390-I393 PolarHBondContact O-N 3.26Å; A390-L394 PolarHBondContact O-N 3.3Å
391P89.1Confident89.1Confident96 Ų9645.8 Ų45.862%0.62325%0.254SS*.Hα-helixtrans-52.8-46.3-174.1-30.736.3000114.5I393 L394 T395P391-I393 VanDerWaalsContact C-N 3.27Å; P391-I393 PolarHBondContact O-N 3.03Å; P391-L394 PolarHBondContact O-N 2.83Å; P391-T395 WeakPolarHBondContact O-CB 3.38Å; P391-T395 PolarHBondContact O-N 3.44Å; P391-T395 PolarHBondContact O-OG1 3.13Å; P391-T395 VanDerWaalsContact O-OG1 3.07Å
392Q91.6Very high89.5Confident21 Ų2146.3 Ų46.310%0.09824%0.242CC..Hα-helixtrans-58.3-37.5177.3-176.7-170.1113.700112.5A390 I396 G410 E698A390-Q392 PolarHBondContact O-N 3.25Å; Q392-I396 HydrophobicContact CG-CD1 3.69Å; Q392-I396 HydrophobicContact CG-CG1 4.33Å; Q392-I396 WeakPolarHBondContact O-CB 3.43Å; Q392-I396 VanDerWaalsContact O-CG1 3.29Å; Q392-I396 WeakPolarHBondContact O-CG1 3.48Å; Q392-I396 PolarHBondContact O-N 2.86Å; Q392-G410 PolarHBondContact NE2-O 3.36Å; Q392-E698 WeakPolarHBondContact CB-OE1 3.48Å; Q392-E698 PolarHBondContact NE2-OE2 3.18Å
393I91.4Very high90.2Very high0 Ų042.9 Ų42.90%023%0.23CC..Hα-helixtrans-66-48.2179.6-64.8-169.1000110.4F380 L383 D387 A390 P391 I396 Q397 L412 M415 I742F380-I393 HydrophobicContact CD1-CG2 4.22Å; F380-I393 HydrophobicContact CE1-CG2 3.3Å; F380-I393 HydrophobicContact CE2-CG2 4.28Å; F380-I393 HydrophobicContact CZ-CG2 3.33Å; L383-I393 HydrophobicContact CD1-CD1 3.75Å; D387-I393 WeakPolarHBondContact O-CD1 3.4Å; A390-I393 HydrophobicContact CB-CB 4.49Å; A390-I393 HydrophobicContact CB-CD1 4.32Å; A390-I393 HydrophobicContact CB-CG1 4.17Å; A390-I393 WeakPolarHBondContact O-CB 3.34Å; A390-I393 PolarHBondContact O-N 3.26Å; P391-I393 VanDerWaalsContact C-N 3.27Å; P391-I393 PolarHBondContact O-N 3.03Å; I393-I396 PolarHBondContact O-N 3.14Å; I393-Q397 WeakPolarHBondContact O-CB 3.27Å; I393-Q397 PolarHBondContact O-N 3.32Å; I393-L412 HydrophobicContact CD1-CD1 4.16Å; I393-L412 HydrophobicContact CG1-CD1 3.81Å; I393-M415 HydrophobicContact CB-CE 4.44Å; I393-M415 HydrophobicContact CB-SD 4.38Å; I393-M415 HydrophobicContact CD1-SD 4.38Å; I393-M415 HydrophobicContact CG1-CG 4Å; I393-M415 HydrophobicContact CG1-SD 4.02Å; I393-M415 HydrophobicContact CG2-CE 4.07Å; I393-M415 HydrophobicContact CG2-SD 4Å; I393-I742 HydrophobicContact CD1-CD1 3.81Å
394L91.8Very high90.8Very high76 Ų7642.7 Ų42.740%0.39823%0.228SC..Hα-helixtrans-63.9-43.2178.8-60.5177.5000111.5A390 P391 Q397 E398A390-L394 PolarHBondContact O-N 3.3Å; P391-L394 PolarHBondContact O-N 2.83Å; L394-Q397 PolarHBondContact O-N 2.79Å; L394-E398 PolarHBondContact O-N 3.46Å
395T93.2Very high91.4Very high70 Ų7039.7 Ų39.743%0.42921%0.212SC..Hα-helixtrans-60.7-47.5175.6-61.60000111.9P391 E398 M399P391-T395 WeakPolarHBondContact O-CB 3.38Å; P391-T395 PolarHBondContact O-N 3.44Å; P391-T395 PolarHBondContact O-OG1 3.13Å; P391-T395 VanDerWaalsContact O-OG1 3.07Å; T395-E398 PolarHBondContact O-N 2.91Å; T395-M399 HydrophobicContact CG2-CE 3.7Å; T395-M399 HydrophobicContact CG2-SD 4.18Å; T395-M399 WeakPolarHBondContact O-CG 3.28Å; T395-M399 PolarHBondContact O-N 3.44Å
396I94.1Very high92Very high4 Ų435.2 Ų35.22%0.02118%0.183CC..Hα-helixtrans-69-35.8179.2-67.7174.4000111.2Q392 I393 E398 M399 C400 V406 V411 M415 V419Q392-I396 HydrophobicContact CG-CD1 3.69Å; Q392-I396 HydrophobicContact CG-CG1 4.33Å; Q392-I396 WeakPolarHBondContact O-CB 3.43Å; Q392-I396 VanDerWaalsContact O-CG1 3.29Å; Q392-I396 WeakPolarHBondContact O-CG1 3.48Å; Q392-I396 PolarHBondContact O-N 2.86Å; I393-I396 PolarHBondContact O-N 3.14Å; I396-E398 VanDerWaalsContact C-N 3.32Å; I396-E398 PolarHBondContact O-N 2.74Å; I396-M399 PolarHBondContact O-N 2.7Å; I396-C400 VanDerWaalsContact O-CB 3.31Å; I396-C400 WeakPolarHBondContact O-CB 3.35Å; I396-C400 PolarHBondContact O-N 2.98Å; I396-C400 PolarHBondContact O-SG 2.78Å; I396-V406 HydrophobicContact CD1-CG2 4.21Å; I396-V406 HydrophobicContact CG1-CG2 4.2Å; I396-V411 HydrophobicContact CD1-CG1 3.54Å; I396-V411 HydrophobicContact CD1-CG2 4.25Å; I396-M415 HydrophobicContact CB-CE 3.79Å; I396-M415 HydrophobicContact CD1-CB 4.18Å; I396-M415 HydrophobicContact CG2-CE 3.62Å; I396-V419 HydrophobicContact CG2-CG2 3.81Å
397Q94.2Very high92.6Very high17 Ų1733.3 Ų33.38%0.07917%0.169CC..Hα-helixtrans-58.7-45.3173.9-158-152.348.900110.9F376 E377 F380 I393 L394 C400 K401F376-Q397 HydrophobicContact CB-CG 3.87Å; F376-Q397 HydrophobicContact CD1-CG 4.34Å; F376-Q397 HydrophobicContact CD2-CB 4.4Å; F376-Q397 HydrophobicContact CD2-CG 3.51Å; F376-Q397 HydrophobicContact CE2-CG 4.1Å; F376-Q397 HydrophobicContact CG-CG 3.65Å; E377-Q397 PolarHBondContact OE1-NE2 2.87Å; F380-Q397 HydrophobicContact CE2-CG 4.35Å; F380-Q397 VanDerWaalsContact CE2-NE2 3.29Å; F380-Q397 HydrophobicContact CZ-CB 4.33Å; F380-Q397 HydrophobicContact CZ-CG 4.1Å; I393-Q397 WeakPolarHBondContact O-CB 3.27Å; I393-Q397 PolarHBondContact O-N 3.32Å; L394-Q397 PolarHBondContact O-N 2.79Å; Q397-C400 PolarHBondContact O-N 2.74Å; Q397-K401 WeakPolarHBondContact O-CG 3.22Å; Q397-K401 PolarHBondContact O-N 3.49Å
398E94.3Very high93Very high59 Ų5933.3 Ų33.328%0.27617%0.168SC..Hα-helixtrans-73.8-35.4-178.9-172.654.7-150.500113.2M359 L394 T395 I396 K401 R402M359-E398 HydrophobicContact CE-CB 4.32Å; M359-E398 HydrophobicContact CE-CG 3.82Å; L394-E398 PolarHBondContact O-N 3.46Å; T395-E398 PolarHBondContact O-N 2.91Å; I396-E398 VanDerWaalsContact C-N 3.32Å; I396-E398 PolarHBondContact O-N 2.74Å; E398-K401 VanDerWaalsContact OE2-CD 3.29Å; E398-K401 WeakPolarHBondContact OE2-CD 3.31Å; E398-K401 IonicContact OE2-NZ 3.16Å; E398-K401 PolarHBondContact OE2-NZ 3.4Å; E398-R402 PolarHBondContact O-N 3.08Å; E398-R402 IonicContact OE1-CZ 2.74Å; E398-R402 VanDerWaalsContact OE1-CZ 3.24Å; E398-R402 IonicContact OE1-NE 2.77Å; E398-R402 PolarHBondContact OE1-NE 3.35Å; E398-R402 IonicContact OE1-NH2 3.85Å; E398-R402 PolarHBondContact OE1-NH2 3.01Å
399M95.5Very high93.2Very high4 Ų430.8 Ų30.82%0.0217%0.165CC..Hα-helixtrans-58.2-51.6167.7-74.6175.7174.800110.6A355 M359 T395 I396 K401 R402 G403 I404 V406A355-M399 HydrophobicContact CB-CE 3.74Å; A355-M399 HydrophobicContact CB-SD 3.98Å; M359-M399 HydrophobicContact CE-CG 4.08Å; M359-M399 HydrophobicContact SD-CB 4.3Å; M359-M399 HydrophobicContact SD-CE 4.49Å; M359-M399 HydrophobicContact SD-CG 3.5Å; M359-M399 WeakPolarHBondContact SD-CG 3.46Å; T395-M399 HydrophobicContact CG2-CE 3.7Å; T395-M399 HydrophobicContact CG2-SD 4.18Å; T395-M399 WeakPolarHBondContact O-CG 3.28Å; T395-M399 PolarHBondContact O-N 3.44Å; I396-M399 PolarHBondContact O-N 2.7Å; M399-K401 VanDerWaalsContact C-N 3.32Å; M399-K401 PolarHBondContact O-N 3.41Å; M399-R402 CarbonylContact O-C 3.53Å; M399-R402 WeakPolarHBondContact O-CA 3.44Å; M399-R402 WeakPolarHBondContact O-CB 3.37Å; M399-R402 PolarHBondContact O-N 3.18Å; M399-G403 PolarHBondContact O-N 3.48Å; M399-I404 CarbonylContact C-O 3.54Å; M399-I404 WeakPolarHBondContact CB-O 3.48Å; M399-I404 PolarHBondContact O-N 3.03Å; M399-I404 VanDerWaalsContact O-N 3.12Å; M399-V406 HydrophobicContact SD-CG1 4.46Å
400C95.7Very high93.5Very high0 Ų025.4 Ų25.40%014%0.136CC..Hα-helixtrans-65-35.4-176.5-69.70000112.3V372 F376 I396 Q397 R402 G403 I404 L422V372-C400 HydrophobicContact CG1-CB 4Å; F376-C400 HydrophobicContact CE2-CB 3.63Å; F376-C400 HydrophobicContact CZ-CB 4.02Å; I396-C400 VanDerWaalsContact O-CB 3.31Å; I396-C400 WeakPolarHBondContact O-CB 3.35Å; I396-C400 PolarHBondContact O-N 2.98Å; I396-C400 PolarHBondContact O-SG 2.78Å; Q397-C400 PolarHBondContact O-N 2.74Å; C400-R402 PolarHBondContact O-N 3.46Å; C400-G403 PolarHBondContact O-N 2.93Å; C400-I404 WeakPolarHBondContact CA-O 3.41Å; C400-I404 PolarHBondContact N-O 2.98Å; C400-I404 VanDerWaalsContact N-O 3.14Å; C400-L422 HydrophobicContact CB-CD1 4.1Å
401K95.4Very high93.9Very high47 Ų4724.9 Ų24.920%0.20413%0.132CC..Hα-helixtrans-58-30.8171.2-77.4170.1-164.8159.60112.2T364 K369 V372 Q397 E398 M399 G403T364-K401 PolarHBondContact OG1-O 2.76Å; K369-K401 WeakPolarHBondContact CG-O 3.39Å; V372-K401 HydrophobicContact CG1-CG 4.18Å; Q397-K401 WeakPolarHBondContact O-CG 3.22Å; Q397-K401 PolarHBondContact O-N 3.49Å; E398-K401 VanDerWaalsContact OE2-CD 3.29Å; E398-K401 WeakPolarHBondContact OE2-CD 3.31Å; E398-K401 IonicContact OE2-NZ 3.16Å; E398-K401 PolarHBondContact OE2-NZ 3.4Å; M399-K401 VanDerWaalsContact C-N 3.32Å; M399-K401 PolarHBondContact O-N 3.41Å; K401-G403 VanDerWaalsContact C-N 3.34Å
402R95Very high94Very high77 Ų7720.3 Ų20.329%0.29110%0.102SC..THydrogen-bonded Turntrans-89.73.2177.5-63.2172.8-168.4-109.4-14.1113.4M359 L363 E398 M399 C400M359-R402 PolarHBondContact O-NH1 3.49Å; L363-R402 WeakPolarHBondContact CB-O 3.36Å; L363-R402 PolarHBondContact N-O 2.95Å; E398-R402 PolarHBondContact O-N 3.08Å; E398-R402 IonicContact OE1-CZ 2.74Å; E398-R402 VanDerWaalsContact OE1-CZ 3.24Å; E398-R402 IonicContact OE1-NE 2.77Å; E398-R402 PolarHBondContact OE1-NE 3.35Å; E398-R402 IonicContact OE1-NH2 3.85Å; E398-R402 PolarHBondContact OE1-NH2 3.01Å; M399-R402 CarbonylContact O-C 3.53Å; M399-R402 WeakPolarHBondContact O-CA 3.44Å; M399-R402 WeakPolarHBondContact O-CB 3.37Å; M399-R402 PolarHBondContact O-N 3.18Å; C400-R402 PolarHBondContact O-N 3.46Å
403G95.5Very high93.9Very high0 Ų020.9 Ų20.90%011%0.108CC..THydrogen-bonded Turntrans79.415.3-17900000114.6M399 C400 K401 L427 R429 I430M399-G403 PolarHBondContact O-N 3.48Å; C400-G403 PolarHBondContact O-N 2.93Å; K401-G403 VanDerWaalsContact C-N 3.34Å; G403-L427 WeakPolarHBondContact CA-O 3.29Å; G403-R429 PolarHBondContact O-N 2.68Å; G403-I430 PolarHBondContact O-N 2.95Å
404I96.5Very high93.9Very high0 Ų021.3 Ų21.30%011%0.11CC..EExtended strand (participates in β ladder)trans-113.9144.9179.8-58.9170.2000108.5A355 L358 L363 M399 C400 I430 F432A355-I404 HydrophobicContact CB-CG2 4.12Å; L358-I404 HydrophobicContact CB-CD1 3.91Å; L363-I404 HydrophobicContact CD1-CG1 4.34Å; M399-I404 CarbonylContact C-O 3.54Å; M399-I404 WeakPolarHBondContact CB-O 3.48Å; M399-I404 PolarHBondContact O-N 3.03Å; M399-I404 VanDerWaalsContact O-N 3.12Å; C400-I404 WeakPolarHBondContact CA-O 3.41Å; C400-I404 PolarHBondContact N-O 2.98Å; C400-I404 VanDerWaalsContact N-O 3.14Å; I404-I430 CarbonylContact C-O 3.43Å; I404-I430 WeakPolarHBondContact CA-O 3.07Å; I404-I430 HydrophobicContact CG1-CB 4.46Å; I404-F432 HydrophobicContact CG2-CD2 4.37Å; I404-F432 HydrophobicContact CG2-CE2 4.2Å
405A96.7Very high93.9Very high0 Ų017.8 Ų17.80%09%0.091CC..EExtended strand (participates in β ladder)trans-152168.8172.600000113.4V419 V428 I430 L431 F432A405-V419 HydrophobicContact CB-CB 4.38Å; A405-V419 HydrophobicContact CB-CG1 3.55Å; A405-V419 HydrophobicContact CB-CG2 3.91Å; A405-V428 HydrophobicContact CB-CG1 3.75Å; A405-V428 HydrophobicContact CB-CG2 4.05Å; A405-I430 PolarHBondContact N-O 3.36Å; A405-L431 HydrophobicContact CB-CD1 3.79Å; A405-F432 PolarHBondContact O-N 2.8Å
406V97Very high93.8Very high1 Ų116.6 Ų16.61%0.0068%0.08CC..EExtended strand (participates in β ladder)trans-119.4143.8175.2-68.20000111.1C351 A355 I396 M399 V411 F432C351-V406 HydrophobicContact CB-CG1 4.23Å; A355-V406 HydrophobicContact CB-CG1 3.57Å; I396-V406 HydrophobicContact CD1-CG2 4.21Å; I396-V406 HydrophobicContact CG1-CG2 4.2Å; M399-V406 HydrophobicContact SD-CG1 4.46Å; V406-V411 HydrophobicContact CG2-CG2 4.01Å; V406-F432 CarbonylContact C-O 3.54Å; V406-F432 WeakPolarHBondContact CA-O 3.32Å; V406-F432 HydrophobicContact CG1-CB 4.33Å
407H95.1Very high93.7Very high12 Ų1217.3 Ų17.36%0.0568%0.083CC..EExtended strand (participates in β ladder)trans-138.9103.4176.1-168.3-74.7000111.7E420 L431 F432 A433 T434 F437H407-E420 IonicContact CD2-OE1 3.7Å; H407-E420 IonicContact CE1-OE1 2.78Å; H407-E420 IonicContact NE2-OE1 3.65Å; H407-E420 PolarHBondContact NE2-OE1 2.96Å; H407-L431 HydrophobicContact CB-CD1 4.05Å; H407-L431 HydrophobicContact CB-CD2 4.41Å; H407-L431 HydrophobicContact CB-CG 4.35Å; H407-F432 PolarHBondContact N-O 2.95Å; H407-A433 HydrophobicContact CB-CB 4.23Å; H407-A433 CarbonylContact O-C 3.57Å; H407-A433 VanDerWaalsContact O-CA 3.26Å; H407-A433 WeakPolarHBondContact O-CA 3.42Å; H407-T434 PolarHBondContact O-N 3.36Å; H407-F437 HydrophobicContact CB-CD2 4.44Å; H407-F437 AromaticContact CD2-CD2 3.95Å; H407-F437 AromaticContact CE1-CD2 3.88Å; H407-F437 AromaticContact CG-CD2 3.81Å; H407-F437 AromaticContact ND1-CD2 3.79Å; H407-F437 AromaticContact NE2-CD2 3.99Å
408H94.1Very high93.6Very high2 Ų216.5 Ų16.51%0.0098%0.08CC..SBendtrans-159.4172.2178.15787.3000111.7R348 D352 G410 V411 T434 Q697R348-H408 HydrophobicContact CG-CB 4.16Å; D352-H408 VanDerWaalsContact CG-CE1 3.46Å; D352-H408 IonicContact OD1-CD2 2.74Å; D352-H408 IonicContact OD1-CE1 3.67Å; D352-H408 PolarHBondContact OD1-CE1 3.37Å; D352-H408 CovalentContact OD1-NE2 1.79Å; D352-H408 IonicContact OD1-NE2 3.45Å; D352-H408 PolarHBondContact OD1-NE2 3.01Å; D352-H408 IonicContact OD2-CE1 2.89Å; D352-H408 PolarHBondContact OD2-CE1 2.84Å; D352-H408 IonicContact OD2-NE2 3.57Å; D352-H408 PolarHBondContact OD2-NE2 2.92Å; H408-G410 WeakPolarHBondContact ND1-CA 3.28Å; H408-G410 PolarHBondContact ND1-N 3.04Å; H408-G410 PolarHBondContact O-N 2.84Å; H408-G410 VanDerWaalsContact O-N 3.11Å; H408-V411 PolarHBondContact O-N 3.31Å; H408-V411 VanDerWaalsContact O-N 3.1Å; H408-T434 WeakPolarHBondContact CA-OG1 3.47Å; H408-T434 HydrophobicContact CB-CG2 3.63Å; H408-T434 WeakPolarHBondContact CB-OG1 3.33Å; H408-Q697 PolarHBondContact CE1-NE2 3.4Å; H408-Q697 PolarHBondContact CE1-OE1 3.19Å
409S89.9Confident93.6Very high37 Ų3713.7 Ų13.726%0.2597%0.067SC..THydrogen-bonded Turntrans-70.5-1-176.870.50000114.9R348 G699 R703R348-S409 PolarHBondContact NH1-OG 3.06Å; S409-G699 CarbonylContact O-C 3.5Å; S409-R703 VanDerWaalsContact O-CZ 3.24Å; S409-R703 PolarHBondContact O-NH1 3.18Å; S409-R703 PolarHBondContact O-NH2 3.33Å
410G91.5Very high93.4Very high0 Ų013.8 Ų13.80%07%0.067CC..THydrogen-bonded Turntrans-84.6-21.4168.700000113.5Q392 H408 G699Q392-G410 PolarHBondContact NE2-O 3.36Å; H408-G410 WeakPolarHBondContact ND1-CA 3.28Å; H408-G410 PolarHBondContact ND1-N 3.04Å; H408-G410 PolarHBondContact O-N 2.84Å; H408-G410 VanDerWaalsContact O-N 3.11Å; G410-G699 WeakPolarHBondContact O-CA 3.36Å; G410-G699 PolarHBondContact O-N 2.83Å
411V93.9Very high93.1Very high0 Ų014.2 Ų14.20%07%0.069CC..SBendtrans-78.6139.5-178.8-176.50000111.2I396 V406 H408 M415 K416I396-V411 HydrophobicContact CD1-CG1 3.54Å; I396-V411 HydrophobicContact CD1-CG2 4.25Å; V406-V411 HydrophobicContact CG2-CG2 4.01Å; H408-V411 PolarHBondContact O-N 3.31Å; H408-V411 VanDerWaalsContact O-N 3.1Å; V411-M415 HydrophobicContact CG1-CB 3.71Å; V411-K416 HydrophobicContact CB-CD 4.29Å; V411-K416 HydrophobicContact CB-CG 3.68Å; V411-K416 HydrophobicContact CG1-CG 3.71Å; V411-K416 VanDerWaalsContact O-CE 3.23Å; V411-K416 WeakPolarHBondContact O-CE 3.39Å
412L92.3Very high93.1Very high0 Ų012 Ų120%06%0.059CC..  trans-51.1142.7173.8-75.4160000112I393 I414 M415 K416 F687 E698 V702 I742I393-L412 HydrophobicContact CD1-CD1 4.16Å; I393-L412 HydrophobicContact CG1-CD1 3.81Å; L412-I414 PolarHBondContact O-N 3.22Å; L412-M415 HydrophobicContact CB-CB 4.21Å; L412-M415 HydrophobicContact CB-CG 4.02Å; L412-M415 HydrophobicContact CD1-CG 4.39Å; L412-M415 PolarHBondContact O-N 3.35Å; L412-M415 VanDerWaalsContact O-N 3.13Å; L412-K416 PolarHBondContact O-N 3.26Å; L412-K416 VanDerWaalsContact O-N 3.08Å; L412-F687 HydrophobicContact CD2-CE1 4.11Å; L412-F687 HydrophobicContact CD2-CZ 4.1Å; L412-E698 HydrophobicContact CD1-CB 4.34Å; L412-E698 HydrophobicContact CD2-CB 3.8Å; L412-E698 HydrophobicContact CG-CB 3.79Å; L412-V702 HydrophobicContact CD2-CG2 3.84Å; L412-I742 HydrophobicContact CD1-CD1 3.79Å; L412-I742 HydrophobicContact CD2-CD1 3.89Å; L412-I742 HydrophobicContact CD2-CG1 4.17Å; L412-I742 HydrophobicContact CG-CD1 4.39Å
413P89.5Confident93Very high33 Ų338.7 Ų8.721%0.2145%0.047CC..Hα-helixtrans-50.4-55.3-178.8-29.937.3000114.4M415 K416 E417 V702P413-M415 VanDerWaalsContact C-N 3.28Å; P413-M415 PolarHBondContact O-N 3.43Å; P413-K416 PolarHBondContact O-N 2.93Å; P413-E417 PolarHBondContact O-N 3.46Å; P413-V702 HydrophobicContact CG-CG1 3.67Å
414I90.1Very high92.6Very high8 Ų812.9 Ų12.94%0.0417%0.067CC..Hα-helixtrans-57.7-37.7178.5-173.7168.4000112.9L383 L412 E417 A418 T745 L748L383-I414 HydrophobicContact CD1-CD1 4.49Å; L383-I414 HydrophobicContact CD2-CD1 4.26Å; L383-I414 HydrophobicContact CG-CD1 4.37Å; L412-I414 PolarHBondContact O-N 3.22Å; I414-E417 PolarHBondContact O-N 3.2Å; I414-A418 WeakPolarHBondContact O-CB 3.42Å; I414-A418 PolarHBondContact O-N 3.44Å; I414-T745 HydrophobicContact CD1-CG2 3.99Å; I414-L748 HydrophobicContact CD1-CD2 4.09Å; I414-L748 HydrophobicContact CG1-CD1 4.12Å; I414-L748 HydrophobicContact CG1-CD2 3.94Å; I414-L748 HydrophobicContact CG1-CG 4.09Å
415M93Very high92.3Very high2 Ų218.1 Ų18.11%0.019%0.091CC..Hα-helixtrans-74-31.9-178.6-62.4-54-67.900112.5F376 F380 I393 I396 V411 L412 P413 V419F376-M415 HydrophobicContact CD1-CE 4.2Å; F376-M415 HydrophobicContact CE1-CE 3.5Å; F376-M415 VanDerWaalsContact CE1-CE 3.5Å; F376-M415 HydrophobicContact CE1-SD 4.29Å; F376-M415 HydrophobicContact CZ-CE 4.22Å; F380-M415 HydrophobicContact CE1-SD 4.4Å; I393-M415 HydrophobicContact CB-CE 4.44Å; I393-M415 HydrophobicContact CB-SD 4.38Å; I393-M415 HydrophobicContact CD1-SD 4.38Å; I393-M415 HydrophobicContact CG1-CG 4Å; I393-M415 HydrophobicContact CG1-SD 4.02Å; I393-M415 HydrophobicContact CG2-CE 4.07Å; I393-M415 HydrophobicContact CG2-SD 4Å; I396-M415 HydrophobicContact CB-CE 3.79Å; I396-M415 HydrophobicContact CD1-CB 4.18Å; I396-M415 HydrophobicContact CG2-CE 3.62Å; V411-M415 HydrophobicContact CG1-CB 3.71Å; L412-M415 HydrophobicContact CB-CB 4.21Å; L412-M415 HydrophobicContact CB-CG 4.02Å; L412-M415 HydrophobicContact CD1-CG 4.39Å; L412-M415 PolarHBondContact O-N 3.35Å; L412-M415 VanDerWaalsContact O-N 3.13Å; P413-M415 VanDerWaalsContact C-N 3.28Å; P413-M415 PolarHBondContact O-N 3.43Å; M415-V419 WeakPolarHBondContact O-CB 3.34Å; M415-V419 VanDerWaalsContact O-CG2 3.28Å; M415-V419 WeakPolarHBondContact O-CG2 3.26Å; M415-V419 PolarHBondContact O-N 3.07Å
416K91.2Very high92.1Very high46 Ų4619.8 Ų19.820%0.211%0.109CC..Hα-helixtrans-65.5-47.1170.5-67173.2-71.2162.20111.2V411 L412 P413 A418 V419 E420V411-K416 HydrophobicContact CB-CD 4.29Å; V411-K416 HydrophobicContact CB-CG 3.68Å; V411-K416 HydrophobicContact CG1-CG 3.71Å; V411-K416 VanDerWaalsContact O-CE 3.23Å; V411-K416 WeakPolarHBondContact O-CE 3.39Å; L412-K416 PolarHBondContact O-N 3.26Å; L412-K416 VanDerWaalsContact O-N 3.08Å; P413-K416 PolarHBondContact O-N 2.93Å; K416-A418 VanDerWaalsContact C-N 3.27Å; K416-A418 PolarHBondContact O-N 2.71Å; K416-V419 PolarHBondContact O-N 3.01Å; K416-E420 VanDerWaalsContact O-CB 3.24Å; K416-E420 WeakPolarHBondContact O-CB 3.04Å; K416-E420 VanDerWaalsContact O-CG 3.28Å; K416-E420 WeakPolarHBondContact O-CG 3.27Å; K416-E420 PolarHBondContact O-N 2.58Å
417E90.2Very high91.9Very high19 Ų1920.1 Ų20.19%0.08911%0.11CC..Hα-helixtrans-62.8-36178.4-64.8-177.516300111.4P413 I414 E420 I421 S747 L748 Y749P413-E417 PolarHBondContact O-N 3.46Å; I414-E417 PolarHBondContact O-N 3.2Å; E417-E420 WeakPolarHBondContact O-CB 3.22Å; E417-E420 PolarHBondContact O-N 3.47Å; E417-I421 WeakPolarHBondContact O-CB 3.45Å; E417-I421 WeakPolarHBondContact O-CD1 3.43Å; E417-I421 VanDerWaalsContact O-CG1 3.26Å; E417-I421 WeakPolarHBondContact O-CG1 3.48Å; E417-I421 PolarHBondContact O-N 2.8Å; E417-S747 WeakPolarHBondContact OE1-CB 3.36Å; E417-S747 PolarHBondContact OE1-OG 2.92Å; E417-S747 WeakPolarHBondContact OE2-CA 3.36Å; E417-S747 WeakPolarHBondContact OE2-CB 3.29Å; E417-S747 PolarHBondContact OE2-OG 2.78Å; E417-L748 HydrophobicContact CB-CB 4.15Å; E417-L748 HydrophobicContact CB-CD1 4.01Å; E417-L748 HydrophobicContact CB-CG 4.11Å; E417-L748 PolarHBondContact OE2-N 3.29Å; E417-Y749 HydrophobicContact CB-CD2 4.29Å; E417-Y749 HydrophobicContact CB-CE2 4.1Å; E417-Y749 HydrophobicContact CG-CD2 4.01Å; E417-Y749 HydrophobicContact CG-CE2 4.02Å
418A92.7Very high91.9Very high0 Ų019.6 Ų19.60%011%0.108CC..Hα-helixtrans-63.8-49.2173.200000111.9F375 F376 I414 K416 E420 I421 L422 L748F375-A418 HydrophobicContact CE1-CB 3.87Å; F376-A418 HydrophobicContact CE1-CB 3.8Å; F376-A418 HydrophobicContact CZ-CB 4.35Å; I414-A418 WeakPolarHBondContact O-CB 3.42Å; I414-A418 PolarHBondContact O-N 3.44Å; K416-A418 VanDerWaalsContact C-N 3.27Å; K416-A418 PolarHBondContact O-N 2.71Å; A418-E420 VanDerWaalsContact C-N 3.33Å; A418-E420 PolarHBondContact O-N 2.85Å; A418-I421 PolarHBondContact O-N 3.05Å; A418-L422 WeakPolarHBondContact O-CB 3.36Å; A418-L422 VanDerWaalsContact O-CG 3.27Å; A418-L422 WeakPolarHBondContact O-CG 3.49Å; A418-L422 PolarHBondContact O-N 3.44Å; A418-L748 HydrophobicContact CB-CD1 3.92Å
419V94.1Very high91.9Very high0 Ų022.7 Ų22.70%012%0.119CC..Hα-helixtrans-60.1-42.5175.6165.20000111.5I396 A405 M415 K416 L422 F423 L431I396-V419 HydrophobicContact CG2-CG2 3.81Å; A405-V419 HydrophobicContact CB-CB 4.38Å; A405-V419 HydrophobicContact CB-CG1 3.55Å; A405-V419 HydrophobicContact CB-CG2 3.91Å; M415-V419 WeakPolarHBondContact O-CB 3.34Å; M415-V419 VanDerWaalsContact O-CG2 3.28Å; M415-V419 WeakPolarHBondContact O-CG2 3.26Å; M415-V419 PolarHBondContact O-N 3.07Å; K416-V419 PolarHBondContact O-N 3.01Å; V419-L422 PolarHBondContact O-N 3.06Å; V419-F423 WeakPolarHBondContact O-CB 3.2Å; V419-F423 PolarHBondContact O-N 3.45Å; V419-L431 HydrophobicContact CG1-CD1 3.43Å; V419-L431 VanDerWaalsContact CG1-CD1 3.43Å
420E91Very high92.2Very high6 Ų620.9 Ų20.93%0.02811%0.107CC..Hα-helixtrans-58.3-50.6175.8-85.4178.9-127.400111.7H407 K416 E417 A418 F423 Q424 V441 M443H407-E420 IonicContact CD2-OE1 3.7Å; H407-E420 IonicContact CE1-OE1 2.78Å; H407-E420 IonicContact NE2-OE1 3.65Å; H407-E420 PolarHBondContact NE2-OE1 2.96Å; K416-E420 VanDerWaalsContact O-CB 3.24Å; K416-E420 WeakPolarHBondContact O-CB 3.04Å; K416-E420 VanDerWaalsContact O-CG 3.28Å; K416-E420 WeakPolarHBondContact O-CG 3.27Å; K416-E420 PolarHBondContact O-N 2.58Å; E417-E420 WeakPolarHBondContact O-CB 3.22Å; E417-E420 PolarHBondContact O-N 3.47Å; A418-E420 VanDerWaalsContact C-N 3.33Å; A418-E420 PolarHBondContact O-N 2.85Å; E420-F423 PolarHBondContact O-N 3.03Å; E420-Q424 PolarHBondContact O-N 3.23Å; E420-V441 HydrophobicContact CG-CG1 4.23Å; E420-V441 WeakPolarHBondContact OE2-CG1 3.38Å; E420-V441 WeakPolarHBondContact OE2-CG2 3.4Å; E420-M443 HydrophobicContact CB-CE 3.39Å; E420-M443 HydrophobicContact CB-SD 4.01Å; E420-M443 HydrophobicContact CG-CE 3.75Å; E420-M443 HydrophobicContact CG-SD 4.02Å; E420-M443 WeakPolarHBondContact O-CE 3.26Å; E420-M443 VanDerWaalsContact O-SD 3.41Å
421I90.6Very high92.5Very high8 Ų820.9 Ų20.94%0.04111%0.107CC..Hα-helixtrans-64.2-42.4177.5-69.2165.2000111.4F375 E417 A418 F423 Q424 Q425 L748 Y749F375-I421 HydrophobicContact CE2-CG2 3.81Å; F375-I421 HydrophobicContact CZ-CB 3.93Å; F375-I421 HydrophobicContact CZ-CD1 4.21Å; F375-I421 HydrophobicContact CZ-CG2 3.68Å; E417-I421 WeakPolarHBondContact O-CB 3.45Å; E417-I421 WeakPolarHBondContact O-CD1 3.43Å; E417-I421 VanDerWaalsContact O-CG1 3.26Å; E417-I421 WeakPolarHBondContact O-CG1 3.48Å; E417-I421 PolarHBondContact O-N 2.8Å; A418-I421 PolarHBondContact O-N 3.05Å; I421-F423 VanDerWaalsContact C-N 3.34Å; I421-F423 PolarHBondContact O-N 3.49Å; I421-Q424 PolarHBondContact O-N 3.02Å; I421-Q425 WeakPolarHBondContact O-CG 3.39Å; I421-Q425 PolarHBondContact O-N 3.43Å; I421-L748 HydrophobicContact CD1-CB 3.79Å; I421-L748 HydrophobicContact CD1-CD1 4.33Å; I421-Y749 HydrophobicContact CD1-CE1 4.47Å; I421-Y749 HydrophobicContact CG1-CE1 4.13Å
422L94.1Very high92.6Very high0 Ų020.9 Ų20.90%011%0.107CC..Hα-helixtrans-67.1-32.6178.1-69.8173.1000112.8V372 F375 F376 C400 A418 V419 Q425 G426 L427 V428V372-L422 HydrophobicContact CG1-CD1 4.21Å; V372-L422 HydrophobicContact CG2-CD2 4.27Å; F375-L422 HydrophobicContact CB-CD2 4.37Å; F375-L422 HydrophobicContact CD1-CD1 3.94Å; F375-L422 HydrophobicContact CD1-CD2 3.59Å; F375-L422 HydrophobicContact CD1-CG 3.73Å; F375-L422 HydrophobicContact CE1-CD1 4.13Å; F375-L422 HydrophobicContact CE1-CD2 4.06Å; F375-L422 HydrophobicContact CE1-CG 3.76Å; F375-L422 HydrophobicContact CG-CD2 4.04Å; F376-L422 HydrophobicContact CD2-CD1 4.4Å; F376-L422 HydrophobicContact CE2-CD1 3.5Å; F376-L422 HydrophobicContact CZ-CD1 3.66Å; C400-L422 HydrophobicContact CB-CD1 4.1Å; A418-L422 WeakPolarHBondContact O-CB 3.36Å; A418-L422 VanDerWaalsContact O-CG 3.27Å; A418-L422 WeakPolarHBondContact O-CG 3.49Å; A418-L422 PolarHBondContact O-N 3.44Å; V419-L422 PolarHBondContact O-N 3.06Å; L422-Q425 PolarHBondContact O-N 3.25Å; L422-G426 PolarHBondContact O-N 2.87Å; L422-L427 HydrophobicContact CD2-CB 4.35Å; L422-L427 HydrophobicContact CD2-CD1 3.65Å; L422-L427 PolarHBondContact O-N 2.98Å; L422-V428 HydrophobicContact CB-CG2 3.89Å; L422-V428 PolarHBondContact O-N 2.92Å
423F93Very high92.8Very high9 Ų920.9 Ų20.94%0.03911%0.107CC..Hα-helixtrans-68.4-41.3172.4-171.4-92.8000111.5P340 V342 V419 E420 I421 Q425 G426 V428 L431 M443 A445P340-F423 HydrophobicContact CB-CE2 4.07Å; P340-F423 HydrophobicContact CB-CZ 4.19Å; P340-F423 HydrophobicContact CG-CZ 4.34Å; V342-F423 HydrophobicContact CG2-CE1 4.29Å; V342-F423 HydrophobicContact CG2-CE2 4.05Å; V342-F423 HydrophobicContact CG2-CZ 3.58Å; V419-F423 WeakPolarHBondContact O-CB 3.2Å; V419-F423 PolarHBondContact O-N 3.45Å; E420-F423 PolarHBondContact O-N 3.03Å; I421-F423 VanDerWaalsContact C-N 3.34Å; I421-F423 PolarHBondContact O-N 3.49Å; F423-Q425 VanDerWaalsContact C-N 3.28Å; F423-Q425 PolarHBondContact O-N 3.29Å; F423-G426 PolarHBondContact O-N 3.42Å; F423-V428 HydrophobicContact CB-CB 4.26Å; F423-V428 HydrophobicContact CD2-CB 4.07Å; F423-V428 HydrophobicContact CD2-CG1 3.94Å; F423-V428 WeakPolarHBondContact CD2-O 3.23Å; F423-L431 HydrophobicContact CD2-CB 4Å; F423-L431 HydrophobicContact CD2-CD2 4.19Å; F423-L431 HydrophobicContact CE2-CB 3.93Å; F423-L431 HydrophobicContact CE2-CD2 4.44Å; F423-L431 HydrophobicContact CG-CD2 4.39Å; F423-M443 HydrophobicContact CB-SD 4.46Å; F423-M443 HydrophobicContact CD1-CB 3.97Å; F423-M443 HydrophobicContact CD1-CG 4.14Å; F423-M443 HydrophobicContact CD1-SD 4.12Å; F423-M443 HydrophobicContact CE1-CB 4.1Å; F423-A445 HydrophobicContact CZ-CB 4.01Å
424Q88.8Confident93Very high88 Ų8820.1 Ų20.141%0.41110%0.102SC..Hα-helixtrans-62.3-33.7172.9-74.4179.9-37.300113Q151 E420 I421 G426 N442 M443Q151-Q424 VanDerWaalsContact NE2-NE2 3.11Å; E420-Q424 PolarHBondContact O-N 3.23Å; I421-Q424 PolarHBondContact O-N 3.02Å; Q424-G426 PolarHBondContact O-N 3.33Å; Q424-N442 PolarHBondContact NE2-O 3.4Å; Q424-M443 HydrophobicContact CG-CE 3.58Å; Q424-M443 HydrophobicContact CG-CG 3.55Å; Q424-M443 HydrophobicContact CG-SD 3.9Å
425Q89.9Confident92.9Very high109 Ų10922.6 Ų22.651%0.50911%0.113SC..THydrogen-bonded Turntrans-77.3-2.7174.3-68177.216.800113.8I421 L422 F423 L427I421-Q425 WeakPolarHBondContact O-CG 3.39Å; I421-Q425 PolarHBondContact O-N 3.43Å; L422-Q425 PolarHBondContact O-N 3.25Å; F423-Q425 VanDerWaalsContact C-N 3.28Å; F423-Q425 PolarHBondContact O-N 3.29Å; Q425-L427 HydrophobicContact CB-CD1 4.08Å; Q425-L427 HydrophobicContact CB-CG 4.13Å; Q425-L427 PolarHBondContact O-N 3.16Å
426G90.9Very high92.5Very high36 Ų3625.7 Ų25.737%0.37113%0.132SC..THydrogen-bonded Turntrans72.98.5-177.600000114.9L422 F423 Q424L422-G426 PolarHBondContact O-N 2.87Å; F423-G426 PolarHBondContact O-N 3.42Å; Q424-G426 PolarHBondContact O-N 3.33Å
427L94.3Very high92.4Very high8 Ų823.6 Ų23.64%0.04212%0.123CC..  trans-78.2-29.5-179.4-64.6171.4000112E368 K371 V372 G403 L422 Q425E368-L427 HydrophobicContact CB-CD2 3.87Å; E368-L427 HydrophobicContact CG-CD2 3.81Å; K371-L427 HydrophobicContact CB-CD1 4.24Å; K371-L427 HydrophobicContact CD-CD2 4.37Å; V372-L427 HydrophobicContact CG2-CB 3.94Å; V372-L427 HydrophobicContact CG2-CD1 3.99Å; V372-L427 HydrophobicContact CG2-CD2 4.47Å; V372-L427 HydrophobicContact CG2-CG 4.36Å; G403-L427 WeakPolarHBondContact CA-O 3.29Å; L422-L427 HydrophobicContact CD2-CB 4.35Å; L422-L427 HydrophobicContact CD2-CD1 3.65Å; L422-L427 PolarHBondContact O-N 2.98Å; Q425-L427 HydrophobicContact CB-CD1 4.08Å; Q425-L427 HydrophobicContact CB-CG 4.13Å; Q425-L427 PolarHBondContact O-N 3.16Å
428V95.1Very high92.1Very high0 Ų022.7 Ų22.70%012%0.119CC..  trans-91.8115.6166.6176.60000108.8A405 L422 F423 I430 L431A405-V428 HydrophobicContact CB-CG1 3.75Å; A405-V428 HydrophobicContact CB-CG2 4.05Å; L422-V428 HydrophobicContact CB-CG2 3.89Å; L422-V428 PolarHBondContact O-N 2.92Å; F423-V428 HydrophobicContact CB-CB 4.26Å; F423-V428 HydrophobicContact CD2-CB 4.07Å; F423-V428 HydrophobicContact CD2-CG1 3.94Å; F423-V428 WeakPolarHBondContact CD2-O 3.23Å; V428-I430 VanDerWaalsContact CG1-O 3.22Å; V428-I430 WeakPolarHBondContact CG1-O 2.38Å; V428-L431 HydrophobicContact CG1-CB 4.47Å
429R94.7Very high91.1Very high67 Ų6727 Ų2725%0.25314%0.14SC..SBendtrans-92.6-23178.1-58.2-169.6-172.5167.48112.9L339 P340 M341 L363 E368 G403L339-R429 HydrophobicContact CD1-CB 4.44Å; P340-R429 CarbonylContact C-O 3.57Å; P340-R429 VanDerWaalsContact CA-O 3.31Å; P340-R429 WeakPolarHBondContact CA-O 3.28Å; M341-R429 PolarHBondContact N-O 3.26Å; L363-R429 VanDerWaalsContact O-CD 3.3Å; L363-R429 WeakPolarHBondContact O-CD 3.5Å; L363-R429 PolarHBondContact O-NE 3.41Å; L363-R429 PolarHBondContact O-NH1 2.76Å; L363-R429 VanDerWaalsContact O-NH1 3.1Å; L363-R429 PolarHBondContact O-NH2 2.81Å; E368-R429 IonicContact OE1-CZ 2.8Å; E368-R429 IonicContact OE1-NE 3.34Å; E368-R429 IonicContact OE1-NH2 2.72Å; E368-R429 PolarHBondContact OE1-NH2 3.25Å; E368-R429 IonicContact OE2-NH2 3.24Å; E368-R429 PolarHBondContact OE2-NH2 3.46Å; G403-R429 PolarHBondContact O-N 2.68Å
430I96Very high89.6Confident0 Ų027.4 Ų27.40%014%0.144CC..EExtended strand (participates in β ladder)trans-130123.5176.9-55.4-176.3000110.5I330 M341 L363 G403 I404 A405 V428 F432I330-I430 HydrophobicContact CB-CD1 4.31Å; I330-I430 HydrophobicContact CD1-CD1 3.45Å; I330-I430 VanDerWaalsContact CD1-CD1 3.45Å; I330-I430 HydrophobicContact CG1-CD1 3.57Å; I330-I430 HydrophobicContact CG2-CD1 3.75Å; M341-I430 HydrophobicContact CE-CG2 4.23Å; M341-I430 HydrophobicContact CG-CB 4.21Å; M341-I430 HydrophobicContact CG-CG1 3.85Å; M341-I430 HydrophobicContact CG-CG2 4.14Å; M341-I430 HydrophobicContact SD-CD1 4.2Å; M341-I430 HydrophobicContact SD-CG1 4Å; M341-I430 HydrophobicContact SD-CG2 4.21Å; L363-I430 HydrophobicContact CD1-CD1 3.35Å; L363-I430 HydrophobicContact CD1-CG1 3.7Å; G403-I430 PolarHBondContact O-N 2.95Å; I404-I430 CarbonylContact C-O 3.43Å; I404-I430 WeakPolarHBondContact CA-O 3.07Å; I404-I430 HydrophobicContact CG1-CB 4.46Å; A405-I430 PolarHBondContact N-O 3.36Å; V428-I430 VanDerWaalsContact CG1-O 3.22Å; V428-I430 WeakPolarHBondContact CG1-O 2.38Å; I430-F432 HydrophobicContact CG2-CD2 4.18Å; I430-F432 HydrophobicContact CG2-CE2 3.65Å; I430-F432 HydrophobicContact CG2-CZ 3.99Å
431L96.6Very high88.6Confident0 Ų027.4 Ų27.40%015%0.145CC..EExtended strand (participates in β ladder)trans-120.8118175.8-173.266.9000111.5M341 V342 A343 A405 H407 V419 F423 V428 A433 F437M341-L431 PolarHBondContact O-N 2.94Å; V342-L431 CarbonylContact C-O 3.6Å; V342-L431 WeakPolarHBondContact CA-O 3.27Å; V342-L431 HydrophobicContact CG2-CB 4.28Å; V342-L431 HydrophobicContact CG2-CD2 4.34Å; A343-L431 PolarHBondContact N-O 3.18Å; A405-L431 HydrophobicContact CB-CD1 3.79Å; H407-L431 HydrophobicContact CB-CD1 4.05Å; H407-L431 HydrophobicContact CB-CD2 4.41Å; H407-L431 HydrophobicContact CB-CG 4.35Å; V419-L431 HydrophobicContact CG1-CD1 3.43Å; V419-L431 VanDerWaalsContact CG1-CD1 3.43Å; F423-L431 HydrophobicContact CD2-CB 4Å; F423-L431 HydrophobicContact CD2-CD2 4.19Å; F423-L431 HydrophobicContact CE2-CB 3.93Å; F423-L431 HydrophobicContact CE2-CD2 4.44Å; F423-L431 HydrophobicContact CG-CD2 4.39Å; V428-L431 HydrophobicContact CG1-CB 4.47Å; L431-A433 HydrophobicContact CG-CB 4.5Å; L431-F437 HydrophobicContact CD2-CD1 4.42Å; L431-F437 HydrophobicContact CD2-CD2 4.15Å; L431-F437 HydrophobicContact CD2-CE1 3.9Å; L431-F437 HydrophobicContact CD2-CE2 3.58Å; L431-F437 HydrophobicContact CD2-CZ 3.43Å; L431-F437 VanDerWaalsContact CD2-CZ 3.43Å
432F97.1Very high87.6Confident0 Ų030.5 Ų30.50%016%0.161CC..EExtended strand (participates in β ladder)trans-89.6110.9171.3-69.5-78000110.4W326 A343 V345 C351 N354 A355 L358 I404 A405 V406 H407 I430W326-F432 HydrophobicContact CD2-CE1 4.21Å; W326-F432 HydrophobicContact CD2-CZ 4.37Å; W326-F432 AromaticContact CE2-CE1 3.92Å; W326-F432 HydrophobicContact CE3-CE1 4.22Å; W326-F432 HydrophobicContact CE3-CZ 4.36Å; W326-F432 AromaticContact CH2-CE1 3.75Å; W326-F432 HydrophobicContact CH2-CE1 3.75Å; W326-F432 AromaticContact CZ2-CE1 3.7Å; W326-F432 HydrophobicContact CZ2-CE1 3.7Å; W326-F432 HydrophobicContact CZ3-CE1 4.01Å; W326-F432 HydrophobicContact CZ3-CZ 4.49Å; A343-F432 HydrophobicContact CB-CD1 3.59Å; A343-F432 HydrophobicContact CB-CE1 3.73Å; A343-F432 HydrophobicContact CB-CG 4.46Å; A343-F432 WeakPolarHBondContact O-CA 2.49Å; V345-F432 HydrophobicContact CG2-CD1 4.09Å; C351-F432 HydrophobicContact CB-CB 4.1Å; N354-F432 HydrophobicContact CB-CD1 3.87Å; N354-F432 HydrophobicContact CB-CE1 3.73Å; N354-F432 HydrophobicContact CB-CG 4.34Å; N354-F432 HydrophobicContact CB-CZ 4.08Å; A355-F432 HydrophobicContact CB-CD2 3.92Å; A355-F432 HydrophobicContact CB-CE2 4.35Å; L358-F432 HydrophobicContact CD1-CE2 3.75Å; L358-F432 HydrophobicContact CD1-CZ 3.52Å; I404-F432 HydrophobicContact CG2-CD2 4.37Å; I404-F432 HydrophobicContact CG2-CE2 4.2Å; A405-F432 PolarHBondContact O-N 2.8Å; V406-F432 CarbonylContact C-O 3.54Å; V406-F432 WeakPolarHBondContact CA-O 3.32Å; V406-F432 HydrophobicContact CG1-CB 4.33Å; H407-F432 PolarHBondContact N-O 2.95Å; I430-F432 HydrophobicContact CG2-CD2 4.18Å; I430-F432 HydrophobicContact CG2-CE2 3.65Å; I430-F432 HydrophobicContact CG2-CZ 3.99Å
433A95.8Very high86.9Confident0 Ų030.6 Ų30.60%016%0.162CC..EExtended strand (participates in β ladder)trans-125.6144.5-167.400000113.9V342 A343 F344 V345 H407 L431 F437V342-A433 HydrophobicContact CG1-CB 4.08Å; A343-A433 PolarHBondContact O-N 3.49Å; F344-A433 VanDerWaalsContact CA-O 3.31Å; F344-A433 WeakPolarHBondContact CA-O 3.44Å; F344-A433 HydrophobicContact CD1-CB 4.3Å; F344-A433 HydrophobicContact CE1-CB 4.24Å; V345-A433 PolarHBondContact N-O 3.07Å; H407-A433 HydrophobicContact CB-CB 4.23Å; H407-A433 CarbonylContact O-C 3.57Å; H407-A433 VanDerWaalsContact O-CA 3.26Å; H407-A433 WeakPolarHBondContact O-CA 3.42Å; L431-A433 HydrophobicContact CG-CB 4.5Å; A433-F437 HydrophobicContact CB-CB 3.82Å; A433-F437 HydrophobicContact CB-CD1 4.23Å; A433-F437 HydrophobicContact CB-CG 4.07Å
434T93.7Very high86.3Confident16 Ų1632.5 Ų32.510%0.09818%0.175CC..  trans-79.6161.1162.549.50000111.2V345 H407 H408 T436 F437V345-T434 WeakPolarHBondContact O-CG2 3.4Å; H407-T434 PolarHBondContact O-N 3.36Å; H408-T434 WeakPolarHBondContact CA-OG1 3.47Å; H408-T434 HydrophobicContact CB-CG2 3.63Å; H408-T434 WeakPolarHBondContact CB-OG1 3.33Å; T434-T436 PolarHBondContact O-N 3.07Å; T434-T436 PolarHBondContact OG1-OG1 3.44Å; T434-F437 PolarHBondContact O-N 3.12Å
435E88.2Confident86.5Confident61 Ų6128.3 Ų28.329%0.28516%0.155SC..THydrogen-bonded Turntrans-55-23.6-175.466.4-179.516100114.9F346 F437 A438 K455 M472F346-E435 HydrophobicContact CE1-CB 4.2Å; E435-F437 PolarHBondContact O-N 3.33Å; E435-A438 WeakPolarHBondContact O-CB 3.38Å; E435-A438 PolarHBondContact O-N 3.3Å; E435-K455 IonicContact OE1-NZ 3.9Å; E435-K455 PolarHBondContact OE1-NZ 2.92Å; E435-K455 IonicContact OE2-NZ 2.8Å; E435-K455 PolarHBondContact OE2-NZ 3.24Å; E435-M472 HydrophobicContact CB-CE 4.4Å; E435-M472 HydrophobicContact CB-SD 3.83Å
436T85.2Confident86.7Confident67 Ų6725.7 Ų25.741%0.41114%0.141SC..Hα-helixtrans-50.2-35.3171.448.60000113.8T434 A438 M439 G440T434-T436 PolarHBondContact O-N 3.07Å; T434-T436 PolarHBondContact OG1-OG1 3.44Å; T436-A438 VanDerWaalsContact C-N 3.32Å; T436-A438 PolarHBondContact O-N 3.18Å; T436-M439 WeakPolarHBondContact O-CB 3.44Å; T436-M439 PolarHBondContact O-N 2.91Å; T436-G440 PolarHBondContact O-N 3.1Å
437F88.8Confident87Confident1 Ų124 Ų240%0.00412%0.123CC..Hα-helixtrans-63.5-37.8177.4-178-101.1000111.8V342 F344 H407 L431 A433 T434 E435 M439 V441 M443V342-F437 HydrophobicContact CG1-CD1 4.05Å; V342-F437 HydrophobicContact CG1-CE1 4.07Å; V342-F437 HydrophobicContact CG2-CE1 3.94Å; F344-F437 HydrophobicContact CE1-CB 4.34Å; F344-F437 HydrophobicContact CE1-CD1 4.27Å; F344-F437 HydrophobicContact CZ-CD1 4.26Å; H407-F437 HydrophobicContact CB-CD2 4.44Å; H407-F437 AromaticContact CD2-CD2 3.95Å; H407-F437 AromaticContact CE1-CD2 3.88Å; H407-F437 AromaticContact CG-CD2 3.81Å; H407-F437 AromaticContact ND1-CD2 3.79Å; H407-F437 AromaticContact NE2-CD2 3.99Å; L431-F437 HydrophobicContact CD2-CD1 4.42Å; L431-F437 HydrophobicContact CD2-CD2 4.15Å; L431-F437 HydrophobicContact CD2-CE1 3.9Å; L431-F437 HydrophobicContact CD2-CE2 3.58Å; L431-F437 HydrophobicContact CD2-CZ 3.43Å; L431-F437 VanDerWaalsContact CD2-CZ 3.43Å; A433-F437 HydrophobicContact CB-CB 3.82Å; A433-F437 HydrophobicContact CB-CD1 4.23Å; A433-F437 HydrophobicContact CB-CG 4.07Å; T434-F437 PolarHBondContact O-N 3.12Å; E435-F437 PolarHBondContact O-N 3.33Å; F437-M439 PolarHBondContact O-N 3.43Å; F437-V441 HydrophobicContact CD2-CB 4.25Å; F437-V441 HydrophobicContact CD2-CG2 4.01Å; F437-V441 HydrophobicContact CE2-CB 4.2Å; F437-V441 HydrophobicContact CE2-CG1 4.18Å; F437-V441 HydrophobicContact CE2-CG2 4.3Å; F437-M443 HydrophobicContact CE1-CB 4.42Å; F437-M443 HydrophobicContact CE2-CB 4.41Å; F437-M443 HydrophobicContact CE2-SD 3.96Å; F437-M443 HydrophobicContact CZ-CB 3.68Å; F437-M443 HydrophobicContact CZ-CG 4.47Å; F437-M443 HydrophobicContact CZ-SD 4.05Å
438A83.7Confident87.1Confident1 Ų123.6 Ų23.61%0.00812%0.121CC..Hα-helixtrans-70.3-13174.400000113.4F344 E435 T436 Q471 M472 R475F344-A438 HydrophobicContact CE1-CB 3.94Å; F344-A438 HydrophobicContact CZ-CB 3.78Å; E435-A438 WeakPolarHBondContact O-CB 3.38Å; E435-A438 PolarHBondContact O-N 3.3Å; T436-A438 VanDerWaalsContact C-N 3.32Å; T436-A438 PolarHBondContact O-N 3.18Å; A438-Q471 HydrophobicContact CB-CG 4.31Å; A438-Q471 WeakPolarHBondContact O-CG 3.46Å; A438-Q471 PolarHBondContact O-NE2 3.43Å; A438-M472 HydrophobicContact CB-CB 4.31Å; A438-M472 HydrophobicContact CB-CG 3.57Å; A438-R475 HydrophobicContact CB-CG 4.28Å; A438-R475 PolarHBondContact O-NE 3.48Å; A438-R475 PolarHBondContact O-NH2 2.98Å
439M72.2Confident87.2Confident90 Ų9023.6 Ų23.644%0.44312%0.121SC..Hα-helixtrans-94.6-48.5174.6-58.2-170.571.500113.2Q209 T436 F437Q209-M439 PolarHBondContact NE2-O 3.19Å; T436-M439 WeakPolarHBondContact O-CB 3.44Å; T436-M439 PolarHBondContact O-N 2.91Å; F437-M439 PolarHBondContact O-N 3.43Å
440G61.6Low87.2Confident8 Ų820.4 Ų20.48%0.08211%0.109CC..Hα-helixtrans-93-15.6-161.900000117.3L148 T436L148-G440 WeakPolarHBondContact CB-O 3.49Å; T436-G440 PolarHBondContact O-N 3.1Å
441V69.6Low87.1Confident7 Ų720.8 Ų20.84%0.04211%0.111CC..  trans-128.5145.6-161.8-169.80000111.8E420 F437 M443 R475E420-V441 HydrophobicContact CG-CG1 4.23Å; E420-V441 WeakPolarHBondContact OE2-CG1 3.38Å; E420-V441 WeakPolarHBondContact OE2-CG2 3.4Å; F437-V441 HydrophobicContact CD2-CB 4.25Å; F437-V441 HydrophobicContact CD2-CG2 4.01Å; F437-V441 HydrophobicContact CE2-CB 4.2Å; F437-V441 HydrophobicContact CE2-CG1 4.18Å; F437-V441 HydrophobicContact CE2-CG2 4.3Å; V441-M443 HydrophobicContact CG1-CB 4.24Å; V441-M443 HydrophobicContact CG1-CE 3.18Å; V441-M443 HydrophobicContact CG1-CG 3.83Å; V441-M443 HydrophobicContact CG1-SD 3.44Å; V441-M443 WeakPolarHBondContact CG1-SD 3.49Å; V441-M443 PolarHBondContact O-N 3.09Å; V441-R475 PolarHBondContact O-NH1 2.86Å; V441-R475 PolarHBondContact O-NH2 2.85Å
442N71.1Confident86.9Confident73 Ų7322.5 Ų22.539%0.3912%0.123SC..  trans-96.275.2172.1-173.142.5000112.3Q424Q424-N442 PolarHBondContact NE2-O 3.4Å
443M78.2Confident86.6Confident2 Ų222.8 Ų22.81%0.0113%0.125CC..  trans-132.3103.3177.8-76.7165-148.400111E420 F423 Q424 F437 V441 Y749E420-M443 HydrophobicContact CB-CE 3.39Å; E420-M443 HydrophobicContact CB-SD 4.01Å; E420-M443 HydrophobicContact CG-CE 3.75Å; E420-M443 HydrophobicContact CG-SD 4.02Å; E420-M443 WeakPolarHBondContact O-CE 3.26Å; E420-M443 VanDerWaalsContact O-SD 3.41Å; F423-M443 HydrophobicContact CB-SD 4.46Å; F423-M443 HydrophobicContact CD1-CB 3.97Å; F423-M443 HydrophobicContact CD1-CG 4.14Å; F423-M443 HydrophobicContact CD1-SD 4.12Å; F423-M443 HydrophobicContact CE1-CB 4.1Å; Q424-M443 HydrophobicContact CG-CE 3.58Å; Q424-M443 HydrophobicContact CG-CG 3.55Å; Q424-M443 HydrophobicContact CG-SD 3.9Å; F437-M443 HydrophobicContact CE1-CB 4.42Å; F437-M443 HydrophobicContact CE2-CB 4.41Å; F437-M443 HydrophobicContact CE2-SD 3.96Å; F437-M443 HydrophobicContact CZ-CB 3.68Å; F437-M443 HydrophobicContact CZ-CG 4.47Å; F437-M443 HydrophobicContact CZ-SD 4.05Å; V441-M443 HydrophobicContact CG1-CB 4.24Å; V441-M443 HydrophobicContact CG1-CE 3.18Å; V441-M443 HydrophobicContact CG1-CG 3.83Å; V441-M443 HydrophobicContact CG1-SD 3.44Å; V441-M443 WeakPolarHBondContact CG1-SD 3.49Å; V441-M443 PolarHBondContact O-N 3.09Å; M443-Y749 WeakPolarHBondContact CE-OH 3.49Å
444P82.1Confident86.4Confident48 Ų4826.6 Ų26.631%0.31214%0.143SC..  trans-83.8142.6169.532.2-30.7000111.3R475 R478P444-R475 CarbonylContact C-O 3.5Å; P444-R475 WeakPolarHBondContact CA-O 3.38Å; P444-R478 HydrophobicContact CB-CB 4.49Å; P444-R478 HydrophobicContact CB-CG 3.97Å; P444-R478 HydrophobicContact CG-CB 4.46Å; P444-R478 HydrophobicContact CG-CG 4.08Å
445A92Very high86.3Confident0 Ų026.6 Ų26.60%014%0.141CC..BIsolated β-bridgetrans-112163.517500000110.3V342 F423 T447 R475 A476 G477V342-A445 HydrophobicContact CB-CB 4.38Å; V342-A445 HydrophobicContact CG2-CB 3.73Å; F423-A445 HydrophobicContact CZ-CB 4.01Å; A445-T447 WeakPolarHBondContact CB-O 3.49Å; A445-R475 PolarHBondContact N-O 3.22Å; A445-A476 CarbonylContact O-C 3.56Å; A445-A476 WeakPolarHBondContact O-CA 3.45Å; A445-G477 PolarHBondContact O-N 3.23Å
446R94.2Very high86.4Confident54 Ų5429.5 Ų29.520%0.20416%0.155CC..SBendtrans-73.8-41.9172.2-172.2165.4-176.2170.1-6.1110.7D337 L339 P340 D482 T486D337-R446 VanDerWaalsContact O-CD 3.28Å; D337-R446 WeakPolarHBondContact O-CD 3.24Å; D337-R446 PolarHBondContact O-NE 3.32Å; D337-R446 VanDerWaalsContact O-NE 3.1Å; D337-R446 PolarHBondContact O-NH1 3.41Å; D337-R446 PolarHBondContact O-NH2 3.11Å; D337-R446 IonicContact OD1-NH1 3.4Å; D337-R446 PolarHBondContact OD1-NH1 3.47Å; D337-R446 IonicContact OD2-CZ 2.68Å; D337-R446 IonicContact OD2-NH1 3.49Å; D337-R446 PolarHBondContact OD2-NH1 2.95Å; D337-R446 IonicContact OD2-NH2 3.13Å; D337-R446 PolarHBondContact OD2-NH2 3.45Å; L339-R446 WeakPolarHBondContact O-CD 3.47Å; P340-R446 PolarHBondContact O-N 3.01Å; R446-D482 WeakPolarHBondContact CA-OD2 3.22Å; R446-D482 WeakPolarHBondContact CD-OD1 3.33Å; R446-D482 IonicContact NE-OD1 2.74Å; R446-T486 PolarHBondContact O-N 2.89Å; R446-T486 VanDerWaalsContact O-N 3.15Å
447T96.7Very high86.3Confident0 Ų029.4 Ų29.40%015%0.152CC..EExtended strand (participates in β ladder)trans-120.1140.1177.2-59.30000112.3L333 L338 P340 M341 V342 A445 V449 T486 I488L333-T447 HydrophobicContact CD1-CG2 4.4Å; L333-T447 HydrophobicContact CD2-CG2 4.01Å; L338-T447 WeakPolarHBondContact O-CB 3.34Å; L338-T447 PolarHBondContact O-OG1 3.36Å; P340-T447 PolarHBondContact O-N 3.36Å; M341-T447 VanDerWaalsContact CA-O 3.29Å; M341-T447 WeakPolarHBondContact CA-O 3.49Å; V342-T447 PolarHBondContact N-O 3.17Å; A445-T447 WeakPolarHBondContact CB-O 3.49Å; T447-V449 HydrophobicContact CG2-CG2 3.91Å; T447-T486 CarbonylContact C-O 3.49Å; T447-T486 VanDerWaalsContact CA-O 3.3Å; T447-T486 WeakPolarHBondContact CA-O 3.44Å; T447-T486 HydrophobicContact CG2-CG2 4.13Å; T447-I488 HydrophobicContact CG2-CD1 4.18Å; T447-I488 HydrophobicContact CG2-CG1 4.29Å
448V96.6Very high86Confident0 Ų031.8 Ų31.80%018%0.177CC..EExtended strand (participates in β ladder)trans-112.4134.2162.8167.80000109.3V342 F344 F450 R475 A476 T486 V487 I488V342-V448 CarbonylContact O-C 3.54Å; V342-V448 WeakPolarHBondContact O-CA 3.5Å; F344-V448 HydrophobicContact CD2-CG1 3.58Å; F344-V448 HydrophobicContact CE2-CG1 3.65Å; F344-V448 HydrophobicContact CE2-CG2 4.28Å; V448-F450 HydrophobicContact CG1-CD2 4.21Å; V448-F450 HydrophobicContact CG1-CE2 3.79Å; V448-F450 HydrophobicContact CG1-CZ 4.33Å; V448-R475 HydrophobicContact CG2-CB 3.99Å; V448-A476 HydrophobicContact CB-CB 4.04Å; V448-A476 HydrophobicContact CG2-CB 3.79Å; V448-T486 PolarHBondContact N-O 3.15Å; V448-V487 CarbonylContact O-C 3.59Å; V448-V487 VanDerWaalsContact O-CA 3.31Å; V448-V487 WeakPolarHBondContact O-CA 3.4Å; V448-I488 PolarHBondContact O-N 3.14Å
449V96.9Very high86.1Confident0 Ų040.3 Ų40.30%022%0.216CC..EExtended strand (participates in β ladder)trans-118.2136.6177-175.90000109.3W326 L329 L333 M341 V342 A343 F344 T447 I488 L490W326-V449 HydrophobicContact CH2-CG1 4.09Å; W326-V449 HydrophobicContact CZ3-CG1 4.07Å; L329-V449 HydrophobicContact CD2-CG1 3.99Å; L329-V449 HydrophobicContact CD2-CG2 4.24Å; L333-V449 HydrophobicContact CD1-CG2 4.49Å; M341-V449 HydrophobicContact CE-CB 4.22Å; M341-V449 HydrophobicContact CE-CG2 3.65Å; V342-V449 PolarHBondContact O-N 3.04Å; A343-V449 CarbonylContact C-O 3.57Å; A343-V449 WeakPolarHBondContact CA-O 3.3Å; A343-V449 HydrophobicContact CB-CB 4.35Å; F344-V449 PolarHBondContact N-O 2.84Å; T447-V449 HydrophobicContact CG2-CG2 3.91Å; V449-I488 CarbonylContact C-O 3.5Å; V449-I488 WeakPolarHBondContact CA-O 3.49Å; V449-I488 HydrophobicContact CG2-CB 4.34Å; V449-L490 HydrophobicContact CG1-CD1 3.93Å; V449-L490 HydrophobicContact CG1-CD2 3.81Å; V449-L490 HydrophobicContact CG1-CG 3.68Å
450F96Very high87Confident0 Ų038.5 Ų38.50%021%0.212CC..EExtended strand (participates in β ladder)trans-104.5115.8172.6-73.2-91.5000109.6F344 F346 V448 S452 L464 Y469 M472 A473 V487 I488 I489 L490F344-F450 HydrophobicContact CB-CD1 4.4Å; F346-F450 HydrophobicContact CZ-CD1 4.4Å; V448-F450 HydrophobicContact CG1-CD2 4.21Å; V448-F450 HydrophobicContact CG1-CE2 3.79Å; V448-F450 HydrophobicContact CG1-CZ 4.33Å; F450-S452 PolarHBondContact O-N 3.02Å; F450-L464 HydrophobicContact CD1-CD1 4.03Å; F450-L464 HydrophobicContact CE1-CD1 3.89Å; F450-Y469 HydrophobicContact CD1-CD2 4.42Å; F450-Y469 HydrophobicContact CD1-CE2 4.36Å; F450-Y469 AromaticContact CD2-CE2 3.79Å; F450-Y469 HydrophobicContact CD2-CE2 3.79Å; F450-Y469 AromaticContact CE1-CD2 3.76Å; F450-Y469 HydrophobicContact CE1-CD2 3.76Å; F450-Y469 AromaticContact CE1-CE2 3.96Å; F450-Y469 HydrophobicContact CE1-CE2 3.96Å; F450-Y469 AromaticContact CE2-CD2 3.91Å; F450-Y469 HydrophobicContact CE2-CD2 3.91Å; F450-Y469 AromaticContact CE2-CE2 3.32Å; F450-Y469 HydrophobicContact CE2-CE2 3.32Å; F450-Y469 AromaticContact CE2-CZ 3.92Å; F450-Y469 HydrophobicContact CG-CE2 4.28Å; F450-Y469 AromaticContact CZ-CD2 3.46Å; F450-Y469 HydrophobicContact CZ-CD2 3.46Å; F450-Y469 VanDerWaalsContact CZ-CD2 3.46Å; F450-Y469 AromaticContact CZ-CE2 3.4Å; F450-Y469 HydrophobicContact CZ-CE2 3.4Å; F450-Y469 VanDerWaalsContact CZ-CE2 3.4Å; F450-Y469 HydrophobicContact CZ-CG 4.35Å; F450-M472 HydrophobicContact CE1-CB 3.74Å; F450-M472 HydrophobicContact CE1-CE 4.1Å; F450-M472 HydrophobicContact CE1-CG 4.49Å; F450-M472 HydrophobicContact CE1-SD 3.99Å; F450-M472 HydrophobicContact CZ-CB 3.58Å; F450-A473 HydrophobicContact CE2-CB 4.25Å; F450-A473 HydrophobicContact CZ-CB 4.33Å; F450-V487 HydrophobicContact CD2-CG1 4Å; F450-V487 HydrophobicContact CE2-CG1 3.68Å; F450-I488 PolarHBondContact N-O 3.03Å; F450-I489 HydrophobicContact CB-CG1 4.33Å; F450-I489 HydrophobicContact CD2-CG1 4.42Å; F450-L490 WeakPolarHBondContact O-CG 3.23Å; F450-L490 PolarHBondContact O-N 2.69Å
451D93.8Very high88.3Confident9 Ų942.7 Ų42.75%0.04824%0.236CC..SBendtrans-67-25.8176.5179.791.7000112.6W326 F344 V345 N354 K492W326-D451 HydrophobicContact CZ2-CB 4.39Å; W326-D451 WeakPolarHBondContact CZ2-OD1 3.48Å; F344-D451 WeakPolarHBondContact O-CB 3.44Å; F344-D451 PolarHBondContact O-N 3.3Å; V345-D451 HydrophobicContact CB-CB 4.27Å; V345-D451 HydrophobicContact CG1-CB 4.49Å; V345-D451 HydrophobicContact CG2-CB 3.69Å; N354-D451 PolarHBondContact ND2-OD1 3.49Å; D451-K492 WeakPolarHBondContact O-CE 3.45Å; D451-K492 PolarHBondContact O-NZ 2.78Å; D451-K492 WeakPolarHBondContact OD1-CE 3.47Å; D451-K492 IonicContact OD1-NZ 2.67Å; D451-K492 PolarHBondContact OD1-NZ 3.25Å; D451-K492 IonicContact OD2-NZ 2.67Å; D451-K492 PolarHBondContact OD2-NZ 2.88Å
452S91.5Very high89.3Confident35 Ų3544.8 Ų44.825%0.24524%0.243CC..  trans-153.4161.1177.3-179.60000109.2F346 F450 E454F346-S452 WeakPolarHBondContact CE2-O 3.49Å; F450-S452 PolarHBondContact O-N 3.02Å; S452-E454 PolarHBondContact OG-N 3.3Å; S452-E454 PolarHBondContact OG-O 2.95Å
453V91.6Very high90.3Very high7 Ų744.1 Ų44.14%0.04224%0.239CC..SBendtrans-104.6-3164.2-620000112.9L463 L464 I489 P496 L501 M504V453-L463 HydrophobicContact CB-CD2 4.34Å; V453-L463 HydrophobicContact CG2-CD2 3.73Å; V453-L463 WeakPolarHBondContact O-CA 3.43Å; V453-L464 WeakPolarHBondContact O-CG 3.38Å; V453-L464 PolarHBondContact O-N 3.03Å; V453-I489 HydrophobicContact CG1-CD1 4.17Å; V453-I489 HydrophobicContact CG1-CG1 4.31Å; V453-I489 HydrophobicContact CG1-CG2 3.57Å; V453-P496 HydrophobicContact CG2-CB 4.07Å; V453-P496 HydrophobicContact CG2-CG 3.43Å; V453-P496 VanDerWaalsContact CG2-CG 3.43Å; V453-L501 HydrophobicContact CG1-CD2 4.25Å; V453-M504 HydrophobicContact CB-CE 4.31Å; V453-M504 HydrophobicContact CB-SD 3.94Å; V453-M504 HydrophobicContact CG1-CE 3.77Å; V453-M504 HydrophobicContact CG1-SD 4.02Å
454E91.7Very high91Very high80 Ų8044.2 Ų44.237%0.37424%0.24SC..EExtended strand (participates in β ladder)trans-107.8139.9176.9-66.2163.7-16100109.8F346 S452 V461 R462 L463F346-E454 WeakPolarHBondContact CD2-O 3.28Å; S452-E454 PolarHBondContact OG-N 3.3Å; S452-E454 PolarHBondContact OG-O 2.95Å; E454-V461 HydrophobicContact CB-CG1 3.98Å; E454-R462 CarbonylContact C-O 3.58Å; E454-R462 VanDerWaalsContact CA-O 3.28Å; E454-R462 WeakPolarHBondContact CA-O 3.46Å; E454-L463 HydrophobicContact CG-CD2 3.96Å
455K91Very high91.3Very high16 Ų1646.3 Ų46.37%0.0725%0.245CC..EExtended strand (participates in β ladder)trans-133.9154.9170.472.5171.5-177.7176.50111.5F346 E435 V461 R462 L464 E468F346-K455 HydrophobicContact CB-CB 3.74Å; F346-K455 HydrophobicContact CD1-CB 4.1Å; F346-K455 HydrophobicContact CD1-CD 4.29Å; F346-K455 HydrophobicContact CD2-CB 3.78Å; F346-K455 HydrophobicContact CE2-CB 4.49Å; F346-K455 HydrophobicContact CG-CB 3.58Å; E435-K455 IonicContact OE1-NZ 3.9Å; E435-K455 PolarHBondContact OE1-NZ 2.92Å; E435-K455 IonicContact OE2-NZ 2.8Å; E435-K455 PolarHBondContact OE2-NZ 3.24Å; K455-V461 WeakPolarHBondContact O-CA 3.38Å; K455-R462 PolarHBondContact N-O 2.91Å; K455-R462 PolarHBondContact O-N 2.95Å; K455-L464 HydrophobicContact CD-CD2 3.88Å; K455-L464 HydrophobicContact CG-CD2 4.1Å; K455-E468 WeakPolarHBondContact CE-OE1 3.4Å; K455-E468 IonicContact NZ-OE1 2.79Å; K455-E468 PolarHBondContact NZ-OE1 2.92Å
456H89.7Confident91.2Very high122 Ų12246.6 Ų46.657%0.56525%0.247SC*.EExtended strand (participates in β ladder)trans-81.9128.1166.1-168.9-101.5000109.3G458 S460 V461H456-G458 VanDerWaalsContact CE1-C 3.5Å; H456-G458 PolarHBondContact ND1-N 2.96Å; H456-S460 VanDerWaalsContact CA-O 3.31Å; H456-S460 WeakPolarHBondContact CA-O 3.1Å; H456-S460 PolarHBondContact CD2-O 2.9Å; H456-V461 HydrophobicContact CB-CG2 4.47Å
457D83.3Confident90.7Very high65 Ų6544.6 Ų44.635%0.34824%0.243SC..  trans-101.81.2-17869.6-0.5000114.9H459 S460 R462D457-H459 PolarHBondContact OD1-N 3.46Å; D457-H459 VanDerWaalsContact OD1-N 3.09Å; D457-S460 PolarHBondContact N-O 3.46Å; D457-S460 PolarHBondContact OD1-N 3.23Å; D457-S460 PolarHBondContact OD1-OG 3.48Å; D457-R462 VanDerWaalsContact OD2-CD 3.32Å; D457-R462 WeakPolarHBondContact OD2-CD 3.49Å; D457-R462 IonicContact OD2-CZ 2.99Å; D457-R462 IonicContact OD2-NE 3.56Å; D457-R462 PolarHBondContact OD2-NE 3.49Å
458G83.5Confident90.3Very high51 Ų5146.5 Ų46.553%0.52625%0.252SS..SBendtrans112.8-24.8-175.800000112.6H456H456-G458 VanDerWaalsContact CE1-C 3.5Å; H456-G458 PolarHBondContact ND1-N 2.96Å
459H85.4Confident90.1Very high179 Ų17946.6 Ų46.683%0.82925%0.252SS*.SBendtrans-121.3-31.8179.1-56.3-66.2000113D457D457-H459 PolarHBondContact OD1-N 3.46Å; D457-H459 VanDerWaalsContact OD1-N 3.09Å
460S89.6Confident89.7Confident52 Ų5248.4 Ų48.436%0.36426%0.263SS..  trans-147.7159.4-17666.80000112.2H456 D457H456-S460 VanDerWaalsContact CA-O 3.31Å; H456-S460 WeakPolarHBondContact CA-O 3.1Å; H456-S460 PolarHBondContact CD2-O 2.9Å; D457-S460 PolarHBondContact N-O 3.46Å; D457-S460 PolarHBondContact OD1-N 3.23Å; D457-S460 PolarHBondContact OD1-OG 3.48Å
461V89.3Confident89.2Confident96 Ų9650 Ų5058%0.58227%0.271SS*.EExtended strand (participates in β ladder)trans-85.5120.5160.2-179.30000107.6E454 K455 H456E454-V461 HydrophobicContact CB-CG1 3.98Å; K455-V461 WeakPolarHBondContact O-CA 3.38Å; H456-V461 HydrophobicContact CB-CG2 4.47Å
462R91.6Very high89Confident51 Ų5149.7 Ų49.719%0.19227%0.269CS..EExtended strand (participates in β ladder)trans-139162.2-179.261159.7-179.184.1-4.2111.9E454 K455 D457 H465 E468E454-R462 CarbonylContact C-O 3.58Å; E454-R462 VanDerWaalsContact CA-O 3.28Å; E454-R462 WeakPolarHBondContact CA-O 3.46Å; K455-R462 PolarHBondContact N-O 2.91Å; K455-R462 PolarHBondContact O-N 2.95Å; D457-R462 VanDerWaalsContact OD2-CD 3.32Å; D457-R462 WeakPolarHBondContact OD2-CD 3.49Å; D457-R462 IonicContact OD2-CZ 2.99Å; D457-R462 IonicContact OD2-NE 3.56Å; D457-R462 PolarHBondContact OD2-NE 3.49Å; R462-H465 PolarHBondContact NH1-CE1 3.43Å; R462-H465 PolarHBondContact NH1-ND1 3.1Å; R462-H465 VanDerWaalsContact NH1-ND1 3.15Å; R462-E468 IonicContact CZ-OE1 2.69Å; R462-E468 IonicContact CZ-OE2 3.14Å; R462-E468 IonicContact NH1-OE1 2.69Å; R462-E468 IonicContact NH1-OE2 2.76Å; R462-E468 PolarHBondContact NH1-OE2 2.77Å; R462-E468 IonicContact NH2-OE1 2.7Å; R462-E468 PolarHBondContact NH2-OE1 2.81Å; R462-E468 IonicContact NH2-OE2 2.68Å; R462-E468 PolarHBondContact NH2-OE2 2.86Å
463L92Very high89.1Confident59 Ų5948 Ų4831%0.30926%0.258SS..EExtended strand (participates in β ladder)trans-63.8156.3169.7-68.1166000111.9V453 E454 D500V453-L463 HydrophobicContact CB-CD2 4.34Å; V453-L463 HydrophobicContact CG2-CD2 3.73Å; V453-L463 WeakPolarHBondContact O-CA 3.43Å; E454-L463 HydrophobicContact CG-CD2 3.96Å; L463-D500 HydrophobicContact CD1-CB 3.7Å
464L92.2Very high88.9Confident5 Ų547.8 Ų47.83%0.02626%0.257CS..PPolyproline II helixtrans-66.4134.3169.9-64.7171.4000111.2F346 F450 V453 K455 E468 Y469 M472 M504F346-L464 HydrophobicContact CE1-CD2 4.14Å; F346-L464 HydrophobicContact CE2-CD1 4.09Å; F346-L464 HydrophobicContact CE2-CD2 4.21Å; F346-L464 HydrophobicContact CE2-CG 4.43Å; F346-L464 HydrophobicContact CZ-CD1 3.75Å; F346-L464 HydrophobicContact CZ-CD2 3.77Å; F346-L464 HydrophobicContact CZ-CG 4.24Å; F450-L464 HydrophobicContact CD1-CD1 4.03Å; F450-L464 HydrophobicContact CE1-CD1 3.89Å; V453-L464 WeakPolarHBondContact O-CG 3.38Å; V453-L464 PolarHBondContact O-N 3.03Å; K455-L464 HydrophobicContact CD-CD2 3.88Å; K455-L464 HydrophobicContact CG-CD2 4.1Å; L464-E468 HydrophobicContact CD2-CB 4.34Å; L464-Y469 HydrophobicContact CD1-CD2 4.25Å; L464-M472 HydrophobicContact CD1-CE 3.9Å; L464-M472 HydrophobicContact CD2-CE 3.78Å; L464-M472 HydrophobicContact CG-CE 4.44Å; L464-M504 HydrophobicContact CB-CG 4.29Å; L464-M504 HydrophobicContact CB-SD 4.01Å; L464-M504 HydrophobicContact CD1-SD 4.3Å
465H89.4Confident88.9Confident91 Ų9145.2 Ų45.242%0.42124%0.243SC..PPolyproline II helixtrans-68.5153.8169.4-63105.2000110.7R462 G467 E468 Y469R462-H465 PolarHBondContact NH1-CE1 3.43Å; R462-H465 PolarHBondContact NH1-ND1 3.1Å; R462-H465 VanDerWaalsContact NH1-ND1 3.15Å; H465-G467 PolarHBondContact O-N 3.13Å; H465-G467 VanDerWaalsContact O-N 3.11Å; H465-E468 HydrophobicContact CB-CG 4.17Å; H465-E468 WeakPolarHBondContact CB-OE2 3.39Å; H465-E468 IonicContact CG-OE2 3.7Å; H465-E468 PolarHBondContact N-OE2 3.36Å; H465-E468 IonicContact ND1-OE1 3.26Å; H465-E468 IonicContact ND1-OE2 2.71Å; H465-E468 PolarHBondContact ND1-OE2 3.2Å; H465-E468 WeakPolarHBondContact O-CB 3.38Å; H465-E468 PolarHBondContact O-N 2.97Å; H465-Y469 PolarHBondContact O-N 2.83Å
466P89.4Confident88.9Confident6 Ų644.4 Ų44.44%0.03924%0.24CC..Hα-helixtrans-58.6-32.3-178.1-22.732.8000113.1T470 H503 G507P466-T470 WeakPolarHBondContact O-CB 3.21Å; P466-T470 PolarHBondContact O-N 2.9Å; P466-T470 PolarHBondContact O-OG1 3.39Å; P466-H503 WeakPolarHBondContact CG-O 3.25Å; P466-G507 WeakPolarHBondContact CB-O 3.38Å
467G84Confident88.9Confident12 Ų1238.6 Ų38.612%0.12421%0.213CC..Hα-helixtrans-70.3-33.9173.400000114.8H465 Q471H465-G467 PolarHBondContact O-N 3.13Å; H465-G467 VanDerWaalsContact O-N 3.11Å; G467-Q471 WeakPolarHBondContact O-CB 3.43Å; G467-Q471 PolarHBondContact O-N 3.26Å
468E87.5Confident89.1Confident41 Ų4138.1 Ų38.119%0.19221%0.206CC..Hα-helixtrans-70-48.1174.9-64.8172.6136.800109.4K455 R462 L464 H465 Q471 M472K455-E468 WeakPolarHBondContact CE-OE1 3.4Å; K455-E468 IonicContact NZ-OE1 2.79Å; K455-E468 PolarHBondContact NZ-OE1 2.92Å; R462-E468 IonicContact CZ-OE1 2.69Å; R462-E468 IonicContact CZ-OE2 3.14Å; R462-E468 IonicContact NH1-OE1 2.69Å; R462-E468 IonicContact NH1-OE2 2.76Å; R462-E468 PolarHBondContact NH1-OE2 2.77Å; R462-E468 IonicContact NH2-OE1 2.7Å; R462-E468 PolarHBondContact NH2-OE1 2.81Å; R462-E468 IonicContact NH2-OE2 2.68Å; R462-E468 PolarHBondContact NH2-OE2 2.86Å; L464-E468 HydrophobicContact CD2-CB 4.34Å; H465-E468 HydrophobicContact CB-CG 4.17Å; H465-E468 WeakPolarHBondContact CB-OE2 3.39Å; H465-E468 IonicContact CG-OE2 3.7Å; H465-E468 PolarHBondContact N-OE2 3.36Å; H465-E468 IonicContact ND1-OE1 3.26Å; H465-E468 IonicContact ND1-OE2 2.71Å; H465-E468 PolarHBondContact ND1-OE2 3.2Å; H465-E468 WeakPolarHBondContact O-CB 3.38Å; H465-E468 PolarHBondContact O-N 2.97Å; E468-Q471 PolarHBondContact O-N 2.99Å; E468-M472 HydrophobicContact CB-CE 4.28Å; E468-M472 WeakPolarHBondContact O-CE 3.4Å; E468-M472 PolarHBondContact O-N 3.35Å
469Y92.2Very high89.2Confident2 Ų239.3 Ų39.31%0.00820%0.195CC..Hα-helixtrans-61.9-49.7177.2-176.1-98000112.4H266 F450 L464 H465 Q471 M472 A473 V487 I489 M504 I505H266-Y469 AromaticContact CE1-CE1 3.73Å; H266-Y469 AromaticContact ND1-CE1 3.8Å; H266-Y469 AromaticContact ND1-CZ 3.79Å; H266-Y469 PolarHBondContact ND1-OH 3.21Å; F450-Y469 HydrophobicContact CD1-CD2 4.42Å; F450-Y469 HydrophobicContact CD1-CE2 4.36Å; F450-Y469 AromaticContact CD2-CE2 3.79Å; F450-Y469 HydrophobicContact CD2-CE2 3.79Å; F450-Y469 AromaticContact CE1-CD2 3.76Å; F450-Y469 HydrophobicContact CE1-CD2 3.76Å; F450-Y469 AromaticContact CE1-CE2 3.96Å; F450-Y469 HydrophobicContact CE1-CE2 3.96Å; F450-Y469 AromaticContact CE2-CD2 3.91Å; F450-Y469 HydrophobicContact CE2-CD2 3.91Å; F450-Y469 AromaticContact CE2-CE2 3.32Å; F450-Y469 HydrophobicContact CE2-CE2 3.32Å; F450-Y469 AromaticContact CE2-CZ 3.92Å; F450-Y469 HydrophobicContact CG-CE2 4.28Å; F450-Y469 AromaticContact CZ-CD2 3.46Å; F450-Y469 HydrophobicContact CZ-CD2 3.46Å; F450-Y469 VanDerWaalsContact CZ-CD2 3.46Å; F450-Y469 AromaticContact CZ-CE2 3.4Å; F450-Y469 HydrophobicContact CZ-CE2 3.4Å; F450-Y469 VanDerWaalsContact CZ-CE2 3.4Å; F450-Y469 HydrophobicContact CZ-CG 4.35Å; L464-Y469 HydrophobicContact CD1-CD2 4.25Å; H465-Y469 PolarHBondContact O-N 2.83Å; Y469-Q471 PolarHBondContact O-N 3.03Å; Y469-M472 PolarHBondContact O-N 3.41Å; Y469-M472 VanDerWaalsContact O-N 3.11Å; Y469-A473 HydrophobicContact CD1-CB 4.35Å; Y469-A473 HydrophobicContact CE1-CB 4Å; Y469-A473 WeakPolarHBondContact O-CB 3.45Å; Y469-A473 PolarHBondContact O-N 2.9Å; Y469-V487 WeakPolarHBondContact OH-CG1 3.36Å; Y469-I489 HydrophobicContact CE2-CD1 4.38Å; Y469-M504 HydrophobicContact CD1-CG 4.31Å; Y469-M504 WeakPolarHBondContact CD1-O 3.46Å; Y469-M504 HydrophobicContact CD2-CE 3.65Å; Y469-M504 HydrophobicContact CD2-CG 3.86Å; Y469-M504 HydrophobicContact CD2-SD 3.64Å; Y469-M504 HydrophobicContact CE2-CE 3.54Å; Y469-M504 HydrophobicContact CE2-SD 4.16Å; Y469-M504 HydrophobicContact CG-CE 4.26Å; Y469-M504 HydrophobicContact CG-CG 3.68Å; Y469-M504 HydrophobicContact CG-SD 4.11Å; Y469-I505 HydrophobicContact CD1-CG1 4.34Å; Y469-I505 HydrophobicContact CE1-CB 4.12Å; Y469-I505 HydrophobicContact CE1-CG1 3.63Å; Y469-I505 HydrophobicContact CE1-CG2 4.19Å
470T88.5Confident89.1Confident37 Ų3736.7 Ų36.723%0.22720%0.197CC..Hα-helixtrans-58.5-31.9178.8-63.90000112.2P466 G474P466-T470 WeakPolarHBondContact O-CB 3.21Å; P466-T470 PolarHBondContact O-N 2.9Å; P466-T470 PolarHBondContact O-OG1 3.39Å; T470-G474 WeakPolarHBondContact O-CA 3.36Å; T470-G474 PolarHBondContact O-N 2.86Å
471Q85.1Confident88.8Confident33 Ų3340.1 Ų40.115%0.15421%0.21CC..Hα-helixtrans-75.9-36.6177.9-177.7158.6-5.200112.8A438 G467 E468 Y469A438-Q471 HydrophobicContact CB-CG 4.31Å; A438-Q471 WeakPolarHBondContact O-CG 3.46Å; A438-Q471 PolarHBondContact O-NE2 3.43Å; G467-Q471 WeakPolarHBondContact O-CB 3.43Å; G467-Q471 PolarHBondContact O-N 3.26Å; E468-Q471 PolarHBondContact O-N 2.99Å; Y469-Q471 PolarHBondContact O-N 3.03Å
472M91.2Very high88.9Confident3 Ų336.1 Ų36.12%0.01519%0.186CC..Hα-helixtrans-76-52.6175.7-78.1-179.1-80.500112.6F344 F346 E435 A438 F450 L464 E468 Y469 G474 R475F344-M472 HydrophobicContact CB-SD 4.06Å; F344-M472 HydrophobicContact CD1-CG 4.07Å; F344-M472 HydrophobicContact CD1-SD 3.92Å; F344-M472 HydrophobicContact CD2-CB 3.75Å; F344-M472 HydrophobicContact CD2-CG 3.98Å; F344-M472 HydrophobicContact CD2-SD 4.2Å; F344-M472 HydrophobicContact CE1-CG 4.06Å; F344-M472 HydrophobicContact CE1-SD 4.47Å; F344-M472 HydrophobicContact CE2-CB 3.69Å; F344-M472 HydrophobicContact CE2-CG 3.97Å; F344-M472 HydrophobicContact CG-CB 4.3Å; F344-M472 HydrophobicContact CG-CG 4.05Å; F344-M472 HydrophobicContact CG-SD 3.78Å; F344-M472 HydrophobicContact CZ-CB 4.19Å; F344-M472 HydrophobicContact CZ-CG 4.02Å; F346-M472 HydrophobicContact CE1-CE 3.89Å; F346-M472 HydrophobicContact CE1-SD 3.68Å; F346-M472 HydrophobicContact CZ-CE 3.95Å; F346-M472 HydrophobicContact CZ-SD 3.92Å; E435-M472 HydrophobicContact CB-CE 4.4Å; E435-M472 HydrophobicContact CB-SD 3.83Å; A438-M472 HydrophobicContact CB-CB 4.31Å; A438-M472 HydrophobicContact CB-CG 3.57Å; F450-M472 HydrophobicContact CE1-CB 3.74Å; F450-M472 HydrophobicContact CE1-CE 4.1Å; F450-M472 HydrophobicContact CE1-CG 4.49Å; F450-M472 HydrophobicContact CE1-SD 3.99Å; F450-M472 HydrophobicContact CZ-CB 3.58Å; L464-M472 HydrophobicContact CD1-CE 3.9Å; L464-M472 HydrophobicContact CD2-CE 3.78Å; L464-M472 HydrophobicContact CG-CE 4.44Å; E468-M472 HydrophobicContact CB-CE 4.28Å; E468-M472 WeakPolarHBondContact O-CE 3.4Å; E468-M472 PolarHBondContact O-N 3.35Å; Y469-M472 PolarHBondContact O-N 3.41Å; Y469-M472 VanDerWaalsContact O-N 3.11Å; M472-G474 PolarHBondContact O-N 3.1Å; M472-G474 VanDerWaalsContact O-N 3.14Å; M472-R475 WeakPolarHBondContact O-CB 3.33Å; M472-R475 PolarHBondContact O-N 2.7Å
473A92.6Very high88.9Confident1 Ų143.3 Ų43.31%0.00822%0.218CC..Hα-helixtrans-58.5-24.8168.500000111.5L264 F450 Y469 R475 A476 V487L264-A473 HydrophobicContact CD1-CB 3.95Å; F450-A473 HydrophobicContact CE2-CB 4.25Å; F450-A473 HydrophobicContact CZ-CB 4.33Å; Y469-A473 HydrophobicContact CD1-CB 4.35Å; Y469-A473 HydrophobicContact CE1-CB 4Å; Y469-A473 WeakPolarHBondContact O-CB 3.45Å; Y469-A473 PolarHBondContact O-N 2.9Å; A473-R475 PolarHBondContact O-N 2.89Å; A473-A476 PolarHBondContact O-N 2.69Å; A473-A476 VanDerWaalsContact O-N 3.1Å; A473-V487 HydrophobicContact CB-CG1 4.16Å; A473-V487 HydrophobicContact CB-CG2 4.09Å
474G88.6Confident88.9Confident2 Ų242.1 Ų42.12%0.02121%0.214CC..THydrogen-bonded Turntrans-49.6-16.6166.100000116.2T117 T470 M472T117-G474 WeakPolarHBondContact CB-O 3.3Å; T117-G474 VanDerWaalsContact OG1-C 3.25Å; T117-G474 WeakPolarHBondContact OG1-CA 3.3Å; T117-G474 PolarHBondContact OG1-O 2.95Å; T470-G474 WeakPolarHBondContact O-CA 3.36Å; T470-G474 PolarHBondContact O-N 2.86Å; M472-G474 PolarHBondContact O-N 3.1Å; M472-G474 VanDerWaalsContact O-N 3.14Å
475R89.8Confident89Confident25 Ų2541.9 Ų41.99%0.09421%0.212CC..THydrogen-bonded Turntrans-96.3-9179.5-53.9-50.3-176.1141.74.4114.8F344 A438 V441 P444 A445 V448 M472 A473F344-R475 HydrophobicContact CZ-CG 4.37Å; A438-R475 HydrophobicContact CB-CG 4.28Å; A438-R475 PolarHBondContact O-NE 3.48Å; A438-R475 PolarHBondContact O-NH2 2.98Å; V441-R475 PolarHBondContact O-NH1 2.86Å; V441-R475 PolarHBondContact O-NH2 2.85Å; P444-R475 CarbonylContact C-O 3.5Å; P444-R475 WeakPolarHBondContact CA-O 3.38Å; A445-R475 PolarHBondContact N-O 3.22Å; V448-R475 HydrophobicContact CG2-CB 3.99Å; M472-R475 WeakPolarHBondContact O-CB 3.33Å; M472-R475 PolarHBondContact O-N 2.7Å; A473-R475 PolarHBondContact O-N 2.89Å
476A92.6Very high89.3Confident0 Ų038 Ų380%020%0.195CC..BIsolated β-bridgetrans-80.8142.617100000111.6R260 L264 A445 V448 A473 T486 V487R260-A476 PolarHBondContact NH2-O 3.26Å; R260-A476 VanDerWaalsContact NH2-O 3.09Å; L264-A476 HydrophobicContact CD2-CB 3.76Å; A445-A476 CarbonylContact O-C 3.56Å; A445-A476 WeakPolarHBondContact O-CA 3.45Å; V448-A476 HydrophobicContact CB-CB 4.04Å; V448-A476 HydrophobicContact CG2-CB 3.79Å; A473-A476 PolarHBondContact O-N 2.69Å; A473-A476 VanDerWaalsContact O-N 3.1Å; A476-T486 WeakPolarHBondContact CB-O 3.42Å; A476-V487 HydrophobicContact CB-CG2 3.78Å
477G89.7Confident89.6Confident0 Ų037.7 Ų37.70%019%0.193CC..  trans88.598.6178.700000112.9A445A445-G477 PolarHBondContact O-N 3.23Å
478R87.8Confident90.2Very high54 Ų5437.2 Ų37.220%0.20419%0.188CC..  trans-79.2117.3172.7-55.8168.7-64.41715.9109.1P444 L481 D482P444-R478 HydrophobicContact CB-CB 4.49Å; P444-R478 HydrophobicContact CB-CG 3.97Å; P444-R478 HydrophobicContact CG-CB 4.46Å; P444-R478 HydrophobicContact CG-CG 4.08Å; R478-L481 HydrophobicContact CB-CB 4.08Å; R478-L481 HydrophobicContact CB-CD1 4.18Å; R478-L481 PolarHBondContact O-N 3.17Å; R478-D482 WeakPolarHBondContact CB-OD2 3.32Å; R478-D482 VanDerWaalsContact CG-OD2 3.25Å; R478-D482 WeakPolarHBondContact CG-OD2 3.37Å; R478-D482 IonicContact CZ-OD1 2.69Å; R478-D482 IonicContact CZ-OD2 3.72Å; R478-D482 PolarHBondContact N-OD2 2.69Å; R478-D482 IonicContact NE-OD1 3.25Å; R478-D482 PolarHBondContact NE-OD1 3.07Å; R478-D482 IonicContact NE-OD2 3.74Å; R478-D482 PolarHBondContact NE-OD2 2.79Å; R478-D482 IonicContact NH2-OD1 3.71Å; R478-D482 PolarHBondContact NH2-OD1 3.23Å; R478-D482 IonicContact NH2-OD2 3.38Å; R478-D482 PolarHBondContact O-N 2.93Å
479R84.3Confident90.5Very high77 Ų7735.4 Ų35.429%0.29118%0.179SC..THydrogen-bonded Turntrans-52.8142.7175.5-172.8174.3177.3135.96.4110.2D95 A119 V262 L481D95-R479 VanDerWaalsContact CG-NH2 3.25Å; D95-R479 IonicContact OD1-CZ 2.75Å; D95-R479 IonicContact OD1-NH1 3.54Å; D95-R479 IonicContact OD1-NH2 3.75Å; D95-R479 PolarHBondContact OD1-NH2 2.86Å; D95-R479 IonicContact OD2-CZ 2.69Å; D95-R479 IonicContact OD2-NH1 2.73Å; D95-R479 PolarHBondContact OD2-NH1 3.18Å; D95-R479 IonicContact OD2-NH2 3.74Å; D95-R479 PolarHBondContact OD2-NH2 3.17Å; D95-R479 VanDerWaalsContact OD2-NH2 3.14Å; A119-R479 PolarHBondContact O-NH1 3.17Å; V262-R479 HydrophobicContact CG2-CB 4.38Å; R479-L481 PolarHBondContact O-N 2.99Å
480S82.8Confident90.4Very high124 Ų12435.7 Ų35.787%0.86718%0.181SC*.THydrogen-bonded Turntrans56.2-3.5-173.862.60000118.3
481L85.3Confident90.2Very high123 Ų12334.1 Ų34.164%0.64417%0.172SC*.THydrogen-bonded Turntrans-107.8-45.5173.3-59.6177.2000112.2R478 R479R478-L481 HydrophobicContact CB-CB 4.08Å; R478-L481 HydrophobicContact CB-CD1 4.18Å; R478-L481 PolarHBondContact O-N 3.17Å; R479-L481 PolarHBondContact O-N 2.99Å
482D90.4Very high89.9Confident13 Ų1336.7 Ų36.77%0.0718%0.182CC..  trans-105.8133.6-174.8-54.5-39.7000111.2R446 R478R446-D482 WeakPolarHBondContact CA-OD2 3.22Å; R446-D482 WeakPolarHBondContact CD-OD1 3.33Å; R446-D482 IonicContact NE-OD1 2.74Å; R478-D482 WeakPolarHBondContact CB-OD2 3.32Å; R478-D482 VanDerWaalsContact CG-OD2 3.25Å; R478-D482 WeakPolarHBondContact CG-OD2 3.37Å; R478-D482 IonicContact CZ-OD1 2.69Å; R478-D482 IonicContact CZ-OD2 3.72Å; R478-D482 PolarHBondContact N-OD2 2.69Å; R478-D482 IonicContact NE-OD1 3.25Å; R478-D482 PolarHBondContact NE-OD1 3.07Å; R478-D482 IonicContact NE-OD2 3.74Å; R478-D482 PolarHBondContact NE-OD2 2.79Å; R478-D482 IonicContact NH2-OD1 3.71Å; R478-D482 PolarHBondContact NH2-OD1 3.23Å; R478-D482 IonicContact NH2-OD2 3.38Å; R478-D482 PolarHBondContact O-N 2.93Å
483K90.6Very high88.8Confident201 Ų20138.5 Ų38.587%0.87420%0.202SC*.SBendtrans-75.4-33.5176.4-67.1-178.4-179.6177.10112.9
484T92.7Very high87.9Confident34 Ų3442.6 Ų42.621%0.20922%0.219CC..SBendtrans-139.5149.9173.460.90000108.6P263 E265 R286P263-T484 HydrophobicContact CG-CG2 4.31Å; P263-T484 CarbonylContact O-C 3.59Å; P263-T484 WeakPolarHBondContact O-CA 3.41Å; E265-T484 HydrophobicContact CG-CG2 4.35Å; E265-T484 VanDerWaalsContact OE2-CB 3.27Å; E265-T484 WeakPolarHBondContact OE2-CB 3.43Å; E265-T484 WeakPolarHBondContact OE2-CG2 3.25Å; E265-T484 PolarHBondContact OE2-OG1 2.91Å; R286-T484 HydrophobicContact CB-CG2 4.17Å
485G93.9Very high87.3Confident0 Ų042.8 Ų42.80%022%0.22CC..EExtended strand (participates in β ladder)trans-93.5123.9171.700000110.5P263 L264 E265P263-G485 PolarHBondContact O-N 2.86Å; L264-G485 WeakPolarHBondContact CA-O 3.33Å; L264-G485 WeakPolarHBondContact CD2-O 3.36Å; E265-G485 PolarHBondContact N-O 3.09Å
486T96Very high86.8Confident10 Ų1042.1 Ų42.16%0.06122%0.219CC..EExtended strand (participates in β ladder)trans-85131.7-179.7-57.10000110.8F267 L338 R446 T447 V448 A476 I488F267-T486 HydrophobicContact CD2-CG2 4Å; F267-T486 HydrophobicContact CE2-CG2 3.96Å; L338-T486 HydrophobicContact CD1-CG2 4.4Å; R446-T486 PolarHBondContact O-N 2.89Å; R446-T486 VanDerWaalsContact O-N 3.15Å; T447-T486 CarbonylContact C-O 3.49Å; T447-T486 VanDerWaalsContact CA-O 3.3Å; T447-T486 WeakPolarHBondContact CA-O 3.44Å; T447-T486 HydrophobicContact CG2-CG2 4.13Å; V448-T486 PolarHBondContact N-O 3.15Å; A476-T486 WeakPolarHBondContact CB-O 3.42Å; T486-I488 HydrophobicContact CG2-CD1 4.2Å; T486-I488 HydrophobicContact CG2-CG1 3.97Å
487V96.3Very high86.3Confident0 Ų044.4 Ų44.40%024%0.238CC..EExtended strand (participates in β ladder)trans-126.9124.9176.2-176.20000110L264 E265 H266 F267 V448 F450 Y469 A473 A476L264-V487 HydrophobicContact CB-CG2 4.49Å; L264-V487 HydrophobicContact CD1-CG2 4Å; L264-V487 HydrophobicContact CD2-CG2 4Å; L264-V487 HydrophobicContact CG-CG2 4.39Å; E265-V487 PolarHBondContact O-N 2.84Å; H266-V487 CarbonylContact C-O 3.51Å; H266-V487 WeakPolarHBondContact CA-O 3.37Å; F267-V487 PolarHBondContact N-O 3.08Å; V448-V487 CarbonylContact O-C 3.59Å; V448-V487 VanDerWaalsContact O-CA 3.31Å; V448-V487 WeakPolarHBondContact O-CA 3.4Å; F450-V487 HydrophobicContact CD2-CG1 4Å; F450-V487 HydrophobicContact CE2-CG1 3.68Å; Y469-V487 WeakPolarHBondContact OH-CG1 3.36Å; A473-V487 HydrophobicContact CB-CG1 4.16Å; A473-V487 HydrophobicContact CB-CG2 4.09Å; A476-V487 HydrophobicContact CB-CG2 3.78Å
488I95.6Very high86Confident1 Ų147.5 Ų47.51%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-122135.2-175.4-54.7-175.5000110.3F267 L329 L333 T447 V448 V449 F450 T486 L490F267-I488 HydrophobicContact CB-CG1 4.44Å; F267-I488 CarbonylContact O-C 3.59Å; F267-I488 WeakPolarHBondContact O-CA 3.39Å; L329-I488 HydrophobicContact CD1-CD1 4.15Å; L329-I488 HydrophobicContact CD1-CG2 4.35Å; L333-I488 HydrophobicContact CD2-CD1 3.82Å; T447-I488 HydrophobicContact CG2-CD1 4.18Å; T447-I488 HydrophobicContact CG2-CG1 4.29Å; V448-I488 PolarHBondContact O-N 3.14Å; V449-I488 CarbonylContact C-O 3.5Å; V449-I488 WeakPolarHBondContact CA-O 3.49Å; V449-I488 HydrophobicContact CG2-CB 4.34Å; F450-I488 PolarHBondContact N-O 3.03Å; T486-I488 HydrophobicContact CG2-CD1 4.2Å; T486-I488 HydrophobicContact CG2-CG1 3.97Å; I488-L490 HydrophobicContact CG2-CD2 4.14Å
489I94Very high85.9Confident3 Ų350.1 Ų50.12%0.01527%0.269CS..EExtended strand (participates in β ladder)trans-108.1127.7171.4-64167.7000108.7F267 L268 Y269 L283 F450 V453 Y469 L501 M504 I505F267-I489 PolarHBondContact O-N 2.94Å; L268-I489 HydrophobicContact CD1-CB 4.09Å; L268-I489 HydrophobicContact CD1-CG2 3.98Å; Y269-I489 PolarHBondContact N-O 3Å; L283-I489 HydrophobicContact CD1-CD1 4.34Å; F450-I489 HydrophobicContact CB-CG1 4.33Å; F450-I489 HydrophobicContact CD2-CG1 4.42Å; V453-I489 HydrophobicContact CG1-CD1 4.17Å; V453-I489 HydrophobicContact CG1-CG1 4.31Å; V453-I489 HydrophobicContact CG1-CG2 3.57Å; Y469-I489 HydrophobicContact CE2-CD1 4.38Å; I489-L501 HydrophobicContact CD1-CD2 4.13Å; I489-M504 HydrophobicContact CD1-CE 3.8Å; I489-I505 HydrophobicContact CD1-CD1 4.31Å
490L91.5Very high86.1Confident9 Ų949.6 Ų49.65%0.04727%0.273CS..EExtended strand (participates in β ladder)trans-87.9123.5-179-59.3-170.2000112.8Y269 W326 L329 V449 F450 I488 K492Y269-L490 HydrophobicContact CD1-CD2 3.98Å; Y269-L490 HydrophobicContact CG-CD2 4.3Å; W326-L490 HydrophobicContact CD2-CD1 4.49Å; W326-L490 HydrophobicContact CE3-CD1 4.29Å; W326-L490 HydrophobicContact CH2-CD1 3.48Å; W326-L490 VanDerWaalsContact CH2-CD1 3.48Å; W326-L490 HydrophobicContact CZ2-CD1 3.72Å; W326-L490 HydrophobicContact CZ3-CD1 3.8Å; L329-L490 HydrophobicContact CD1-CD2 4.23Å; L329-L490 HydrophobicContact CD2-CD1 4.44Å; L329-L490 HydrophobicContact CD2-CD2 3.86Å; V449-L490 HydrophobicContact CG1-CD1 3.93Å; V449-L490 HydrophobicContact CG1-CD2 3.81Å; V449-L490 HydrophobicContact CG1-CG 3.68Å; F450-L490 WeakPolarHBondContact O-CG 3.23Å; F450-L490 PolarHBondContact O-N 2.69Å; I488-L490 HydrophobicContact CG2-CD2 4.14Å; L490-K492 PolarHBondContact O-N 2.99Å
491C83.8Confident86.3Confident4 Ų443.8 Ų43.83%0.02723%0.231CC..  trans-84.598.2173.3-84.70000112.4L268 Y269 T270 I303 G493 F494L268-C491 VanDerWaalsContact CD1-SG 3.53Å; Y269-C491 PolarHBondContact O-N 2.73Å; T270-C491 HydrophobicContact CG2-CB 3.89Å; I303-C491 HydrophobicContact CD1-CB 4.23Å; C491-G493 VanDerWaalsContact C-N 3.26Å; C491-G493 PolarHBondContact O-N 3.47Å; C491-G493 VanDerWaalsContact O-N 3.09Å; C491-F494 PolarHBondContact SG-O 3.28Å; C491-F494 VanDerWaalsContact SG-O 3.37Å
492K79Confident86.4Confident86 Ų8641.8 Ų41.837%0.37422%0.22SC..SBendtrans-85.752.3177.2-66.6-173.8174.8-1780113.4D451 L490 F494D451-K492 WeakPolarHBondContact O-CE 3.45Å; D451-K492 PolarHBondContact O-NZ 2.78Å; D451-K492 WeakPolarHBondContact OD1-CE 3.47Å; D451-K492 IonicContact OD1-NZ 2.67Å; D451-K492 PolarHBondContact OD1-NZ 3.25Å; D451-K492 IonicContact OD2-NZ 2.67Å; D451-K492 PolarHBondContact OD2-NZ 2.88Å; L490-K492 PolarHBondContact O-N 2.99Å; K492-F494 VanDerWaalsContact C-N 3.3Å
493G67.4Low86.4Confident41 Ų4147 Ų4742%0.42324%0.243SC..SBendtrans824.4-179.600000115I303 C491I303-G493 WeakPolarHBondContact CG2-O 3.44Å; C491-G493 VanDerWaalsContact C-N 3.26Å; C491-G493 PolarHBondContact O-N 3.47Å; C491-G493 VanDerWaalsContact O-N 3.09Å
494F73.6Confident86.4Confident87 Ų8737.6 Ų37.638%0.38220%0.203SC..  trans-134.2149.6167.4178-125.1000108.8C491 K492C491-F494 PolarHBondContact SG-O 3.28Å; C491-F494 VanDerWaalsContact SG-O 3.37Å; K492-F494 VanDerWaalsContact C-N 3.3Å
495V75.7Confident86.3Confident7 Ų736.7 Ų36.74%0.04220%0.196CC..  trans-110.2122.5165.9-176.50000105.6L268 Y296 V299 A300 I303L268-V495 HydrophobicContact CD2-CG1 3.94Å; Y296-V495 HydrophobicContact CE2-CG1 3.95Å; V299-V495 HydrophobicContact CG1-CG2 4.22Å; A300-V495 HydrophobicContact CB-CB 4.24Å; A300-V495 HydrophobicContact CB-CG1 4.31Å; A300-V495 HydrophobicContact CB-CG2 4.49Å; I303-V495 HydrophobicContact CB-CG2 3.99Å; I303-V495 HydrophobicContact CD1-CG2 3.53Å; I303-V495 HydrophobicContact CG1-CG2 4.3Å; I303-V495 HydrophobicContact CG2-CG2 4.1Å
496P79.9Confident86.1Confident11 Ų1140.6 Ų40.67%0.07122%0.217CC..  trans-56.1167.8174.1-24.134.7000111.7Y296 V453 L501Y296-P496 PolarHBondContact OH-O 3.43Å; V453-P496 HydrophobicContact CG2-CB 4.07Å; V453-P496 HydrophobicContact CG2-CG 3.43Å; V453-P496 VanDerWaalsContact CG2-CG 3.43Å; P496-L501 HydrophobicContact CB-CD2 3.88Å; P496-L501 HydrophobicContact CB-CG 4.06Å; P496-L501 HydrophobicContact CG-CD2 4.07Å
497A81.9Confident85.6Confident47 Ų4741 Ų4139%0.38822%0.223SC..  trans-72.3152.5178.600000112.1Y296 N499 D500 L501Y296-A497 VanDerWaalsContact OH-C 3.22Å; Y296-A497 PolarHBondContact OH-O 2.88Å; A497-N499 VanDerWaalsContact C-N 3.29Å; A497-N499 PolarHBondContact O-N 3.2Å; A497-D500 HydrophobicContact CB-CB 4.33Å; A497-D500 VanDerWaalsContact CB-OD2 3.25Å; A497-D500 WeakPolarHBondContact CB-OD2 3.27Å; A497-D500 WeakPolarHBondContact O-CB 3.34Å; A497-D500 PolarHBondContact O-N 2.83Å; A497-L501 PolarHBondContact O-N 3.15Å; A497-L501 VanDerWaalsContact O-N 3.07Å
498K82.8Confident84.9Confident65 Ų6547.8 Ų47.828%0.28325%0.252SS..Hα-helixtrans-54.7-47178.6-177.3-168.3162.8-161.90111.5F290 Y296 D500 L501 M502F290-K498 HydrophobicContact CZ-CG 4.49Å; Y296-K498 HydrophobicContact CD1-CB 4.14Å; Y296-K498 HydrophobicContact CD1-CG 4.39Å; Y296-K498 HydrophobicContact CE1-CB 3.58Å; Y296-K498 HydrophobicContact CE1-CG 4.21Å; Y296-K498 WeakPolarHBondContact OH-CA 3.45Å; Y296-K498 PolarHBondContact OH-N 2.89Å; K498-D500 VanDerWaalsContact C-N 3.34Å; K498-L501 PolarHBondContact O-N 2.8Å; K498-M502 VanDerWaalsContact O-CB 3.31Å; K498-M502 WeakPolarHBondContact O-CB 3.36Å; K498-M502 PolarHBondContact O-N 3.08Å
499N85.7Confident83.9Confident109 Ų10949.1 Ų49.158%0.58326%0.262SS*.Hα-helixtrans-67.5-38.4-175.9-64.1-3.1000110.9A497 M502 H503A497-N499 VanDerWaalsContact C-N 3.29Å; A497-N499 PolarHBondContact O-N 3.2Å; N499-M502 PolarHBondContact O-N 2.9Å; N499-H503 VanDerWaalsContact O-CB 3.28Å; N499-H503 WeakPolarHBondContact O-CB 3.29Å; N499-H503 PolarHBondContact O-N 2.85Å
500D88.6Confident82.9Confident67 Ų6752.9 Ų52.936%0.35829%0.286SS..Hα-helixtrans-62-48.5176.6-57.1-11.3000111.5L463 A497 K498 H503 M504L463-D500 HydrophobicContact CD1-CB 3.7Å; A497-D500 HydrophobicContact CB-CB 4.33Å; A497-D500 VanDerWaalsContact CB-OD2 3.25Å; A497-D500 WeakPolarHBondContact CB-OD2 3.27Å; A497-D500 WeakPolarHBondContact O-CB 3.34Å; A497-D500 PolarHBondContact O-N 2.83Å; K498-D500 VanDerWaalsContact C-N 3.34Å; D500-H503 PolarHBondContact O-N 3.14Å; D500-M504 VanDerWaalsContact O-CB 3.22Å; D500-M504 WeakPolarHBondContact O-CB 3.02Å; D500-M504 PolarHBondContact O-N 3.06Å
501L87.8Confident82.2Confident1 Ų158.1 Ų58.11%0.00531%0.309CS..Hα-helixtrans-64.9-41.7175.5-66.8-170.8000111.8L268 L283 Y296 V453 I489 P496 A497 K498 H503 M504 I505L268-L501 HydrophobicContact CD1-CD1 4.47Å; L283-L501 HydrophobicContact CD1-CD1 4.07Å; Y296-L501 HydrophobicContact CE2-CD1 3.67Å; Y296-L501 VanDerWaalsContact OH-CD1 3.27Å; Y296-L501 WeakPolarHBondContact OH-CD1 3.35Å; V453-L501 HydrophobicContact CG1-CD2 4.25Å; I489-L501 HydrophobicContact CD1-CD2 4.13Å; P496-L501 HydrophobicContact CB-CD2 3.88Å; P496-L501 HydrophobicContact CB-CG 4.06Å; P496-L501 HydrophobicContact CG-CD2 4.07Å; A497-L501 PolarHBondContact O-N 3.15Å; A497-L501 VanDerWaalsContact O-N 3.07Å; K498-L501 PolarHBondContact O-N 2.8Å; L501-H503 VanDerWaalsContact C-N 3.34Å; L501-H503 PolarHBondContact O-N 2.75Å; L501-M504 HydrophobicContact CD2-CE 3.72Å; L501-M504 PolarHBondContact O-N 3.13Å; L501-I505 HydrophobicContact CB-CD1 4.27Å; L501-I505 VanDerWaalsContact O-CB 3.29Å; L501-I505 WeakPolarHBondContact O-CB 3.44Å; L501-I505 WeakPolarHBondContact O-CD1 3.39Å; L501-I505 WeakPolarHBondContact O-CG1 3.47Å; L501-I505 PolarHBondContact O-N 2.93Å
502M88Confident81.8Confident82 Ų8259.9 Ų59.940%0.40432%0.317SS..Hα-helixtrans-63.7-41.7179-166.1179.476.600111.1F290 K498 N499 L506F290-M502 HydrophobicContact CD2-CB 4.41Å; F290-M502 HydrophobicContact CD2-CG 4.25Å; F290-M502 HydrophobicContact CE2-CB 4.37Å; K498-M502 VanDerWaalsContact O-CB 3.31Å; K498-M502 WeakPolarHBondContact O-CB 3.36Å; K498-M502 PolarHBondContact O-N 3.08Å; N499-M502 PolarHBondContact O-N 2.9Å; M502-L506 HydrophobicContact CG-CD1 4.33Å; M502-L506 WeakPolarHBondContact O-CA 3.5Å; M502-L506 WeakPolarHBondContact O-CB 3.44Å; M502-L506 PolarHBondContact O-N 3.27Å
503H89.7Confident81.6Confident121 Ų12163.5 Ų63.556%0.5634%0.335SS*.Hα-helixtrans-66.9-45.4174.1-178.4-103.8000111.8P466 N499 D500 L501 I505 G507P466-H503 WeakPolarHBondContact CG-O 3.25Å; N499-H503 VanDerWaalsContact O-CB 3.28Å; N499-H503 WeakPolarHBondContact O-CB 3.29Å; N499-H503 PolarHBondContact O-N 2.85Å; D500-H503 PolarHBondContact O-N 3.14Å; L501-H503 VanDerWaalsContact C-N 3.34Å; L501-H503 PolarHBondContact O-N 2.75Å; H503-I505 PolarHBondContact O-N 2.88Å; H503-G507 WeakPolarHBondContact O-CA 3.26Å; H503-G507 PolarHBondContact O-N 2.72Å
504M91.4Very high82.2Confident4 Ų463.1 Ų63.12%0.0233%0.326CS..Hα-helixtrans-63.9-37.5179-176.9-170.866.700113V453 L464 Y469 I489 D500 L501V453-M504 HydrophobicContact CB-CE 4.31Å; V453-M504 HydrophobicContact CB-SD 3.94Å; V453-M504 HydrophobicContact CG1-CE 3.77Å; V453-M504 HydrophobicContact CG1-SD 4.02Å; L464-M504 HydrophobicContact CB-CG 4.29Å; L464-M504 HydrophobicContact CB-SD 4.01Å; L464-M504 HydrophobicContact CD1-SD 4.3Å; Y469-M504 HydrophobicContact CD1-CG 4.31Å; Y469-M504 WeakPolarHBondContact CD1-O 3.46Å; Y469-M504 HydrophobicContact CD2-CE 3.65Å; Y469-M504 HydrophobicContact CD2-CG 3.86Å; Y469-M504 HydrophobicContact CD2-SD 3.64Å; Y469-M504 HydrophobicContact CE2-CE 3.54Å; Y469-M504 HydrophobicContact CE2-SD 4.16Å; Y469-M504 HydrophobicContact CG-CE 4.26Å; Y469-M504 HydrophobicContact CG-CG 3.68Å; Y469-M504 HydrophobicContact CG-SD 4.11Å; I489-M504 HydrophobicContact CD1-CE 3.8Å; D500-M504 VanDerWaalsContact O-CB 3.22Å; D500-M504 WeakPolarHBondContact O-CB 3.02Å; D500-M504 PolarHBondContact O-N 3.06Å; L501-M504 HydrophobicContact CD2-CE 3.72Å; L501-M504 PolarHBondContact O-N 3.13Å
505I90.7Very high82.3Confident15 Ų1566.7 Ų66.78%0.07734%0.337CS..Hα-helixtrans-89.2-41.3-175-59.9165.5000112.3L283 V284 Y469 I489 L501 H503L283-I505 HydrophobicContact CD1-CD1 4.29Å; V284-I505 HydrophobicContact CG2-CG2 3.89Å; Y469-I505 HydrophobicContact CD1-CG1 4.34Å; Y469-I505 HydrophobicContact CE1-CB 4.12Å; Y469-I505 HydrophobicContact CE1-CG1 3.63Å; Y469-I505 HydrophobicContact CE1-CG2 4.19Å; I489-I505 HydrophobicContact CD1-CD1 4.31Å; L501-I505 HydrophobicContact CB-CD1 4.27Å; L501-I505 VanDerWaalsContact O-CB 3.29Å; L501-I505 WeakPolarHBondContact O-CB 3.44Å; L501-I505 WeakPolarHBondContact O-CD1 3.39Å; L501-I505 WeakPolarHBondContact O-CG1 3.47Å; L501-I505 PolarHBondContact O-N 2.93Å; H503-I505 PolarHBondContact O-N 2.88Å
506L88.1Confident82.6Confident83 Ų8366.9 Ų66.944%0.43534%0.338SS..Hα-helixtrans-115.1-5.5-172.3-57.6176.9000113.8V284 G288 F290 M502V284-L506 HydrophobicContact CG1-CD2 4.17Å; G288-L506 WeakPolarHBondContact O-CD2 3.25Å; F290-L506 HydrophobicContact CB-CD1 4.23Å; M502-L506 HydrophobicContact CG-CD1 4.33Å; M502-L506 WeakPolarHBondContact O-CA 3.5Å; M502-L506 WeakPolarHBondContact O-CB 3.44Å; M502-L506 PolarHBondContact O-N 3.27Å
507G85.5Confident82.7Confident18 Ų1874.8 Ų74.819%0.18637%0.366CS..SBendtrans-69.1155.2177.200000112.9P466 H503P466-G507 WeakPolarHBondContact CB-O 3.38Å; H503-G507 WeakPolarHBondContact O-CA 3.26Å; H503-G507 PolarHBondContact O-N 2.72Å
508K82.5Confident82.9Confident142 Ų14272.6 Ų72.662%0.61735%0.348SS*.PPolyproline II helixtrans-62.5138.9179.2-72.7-177.6152.8-145.70111.3D235D235-K508 IonicContact OD1-NZ 2.68Å; D235-K508 PolarHBondContact OD1-NZ 3.24Å; D235-K508 VanDerWaalsContact OD1-NZ 3.16Å; D235-K508 WeakPolarHBondContact OD2-CD 3.47Å; D235-K508 IonicContact OD2-NZ 2.75Å; D235-K508 PolarHBondContact OD2-NZ 3.33Å
509P75.3Confident83Confident30 Ų3071.9 Ų71.920%0.19535%0.349CS..PPolyproline II helixtrans-56.5146.8164.5-22.233.4000110.7
510P71.8Confident83.1Confident82 Ų8268.7 Ų68.753%0.53233%0.329SS..PPolyproline II helixtrans-61142.117825.9-34.3000111.4V234V234-P510 VanDerWaalsContact CG1-O 3.26Å; V234-P510 WeakPolarHBondContact CG1-O 3.4Å
511K76.7Confident82.9Confident119 Ų11965.9 Ų65.952%0.51731%0.314SS..PPolyproline II helixtrans-55.8153.4175.1-62.7177.7164.7-98.20111.2D235 D236 Q513D235-K511 HydrophobicContact CB-CG 4.25Å; D236-K511 IonicContact OD1-NZ 2.84Å; D236-K511 PolarHBondContact OD1-NZ 2.65Å; D236-K511 WeakPolarHBondContact OD2-CB 3.48Å; D236-K511 WeakPolarHBondContact OD2-CD 3.18Å; D236-K511 VanDerWaalsContact OD2-CE 3.27Å; D236-K511 WeakPolarHBondContact OD2-CE 3.32Å; D236-K511 WeakPolarHBondContact OD2-CG 3.25Å; D236-K511 IonicContact OD2-NZ 3.51Å; D236-K511 PolarHBondContact OD2-NZ 3.24Å; K511-Q513 PolarHBondContact O-N 3.08Å; K511-Q513 VanDerWaalsContact O-N 3.13Å
512I75.3Confident82.7Confident41 Ų4166 Ų6621%0.2132%0.315CS..  trans-69.5111.6174.9-57177.2000108.7V234 F240 Y542V234-I512 HydrophobicContact CB-CG1 4.35Å; V234-I512 HydrophobicContact CG1-CD1 4.43Å; V234-I512 HydrophobicContact CG1-CG1 3.69Å; F240-I512 HydrophobicContact CB-CD1 3.89Å; F240-I512 HydrophobicContact CD1-CD1 4.36Å; F240-I512 HydrophobicContact CD2-CD1 4.42Å; F240-I512 HydrophobicContact CD2-CG2 3.71Å; F240-I512 HydrophobicContact CE2-CG2 3.95Å; F240-I512 HydrophobicContact CG-CD1 3.99Å; F240-I512 HydrophobicContact CG-CG2 4.33Å; I512-Y542 HydrophobicContact CG2-CE1 4.11Å; I512-Y542 WeakPolarHBondContact O-CE1 3.36Å
513Q75.4Confident82.8Confident161 Ų16162.1 Ų62.175%0.75230%0.295SS*.  trans-98.8140.2169.9-67.3176.4-22.500109.6K511K511-Q513 PolarHBondContact O-N 3.08Å; K511-Q513 VanDerWaalsContact O-N 3.13Å
514S80.2Confident82.7Confident33 Ų3356.4 Ų56.423%0.23127%0.269CS..  trans-59.1148.3166.6179.50000110.3E215 F516 V543E215-S514 PolarHBondContact OE1-OG 3.38Å; E215-S514 WeakPolarHBondContact OE2-CB 3.31Å; E215-S514 PolarHBondContact OE2-OG 2.76Å; S514-F516 WeakPolarHBondContact OG-CB 3.37Å; S514-F516 PolarHBondContact OG-N 3.25Å; S514-V543 VanDerWaalsContact OG-CG2 3.23Å; S514-V543 WeakPolarHBondContact OG-CG2 3.18Å
515R76.2Confident82.4Confident163 Ų16356.5 Ų56.562%0.61527%0.269SS*.  trans-121.111167.1-67.2-172.8171.5-161.6-5.1112.1V212 R517V212-R515 HydrophobicContact CG1-CB 4.39Å; V212-R515 VanDerWaalsContact CG1-O 3.29Å; V212-R515 WeakPolarHBondContact CG1-O 3.49Å; R515-R517 PolarHBondContact O-N 3.4Å
516F81Confident82.2Confident11 Ų1156.3 Ų56.35%0.04827%0.268CS..  trans-56.8135.1179.7-171.8-95.3000110.6E215 E216 S514 L518 M522 M537 V543 L622E215-F516 HydrophobicContact CB-CD2 4.32Å; E215-F516 HydrophobicContact CG-CD2 4.33Å; E215-F516 WeakPolarHBondContact OE1-CB 3.5Å; E216-F516 HydrophobicContact CG-CD2 4.17Å; E216-F516 HydrophobicContact CG-CE2 3.94Å; S514-F516 WeakPolarHBondContact OG-CB 3.37Å; S514-F516 PolarHBondContact OG-N 3.25Å; F516-L518 HydrophobicContact CE1-CD2 3.67Å; F516-L518 HydrophobicContact CZ-CD2 4.17Å; F516-M522 HydrophobicContact CE2-SD 4.15Å; F516-M522 HydrophobicContact CZ-CE 3.99Å; F516-M522 HydrophobicContact CZ-SD 4.05Å; F516-M537 HydrophobicContact CE2-CE 4.43Å; F516-M537 HydrophobicContact CE2-CG 4.26Å; F516-M537 HydrophobicContact CZ-CG 3.98Å; F516-V543 HydrophobicContact CB-CG2 4.07Å; F516-L622 HydrophobicContact CD1-CD1 3.6Å; F516-L622 HydrophobicContact CE1-CD1 3.77Å
517R81.9Confident82.1Confident177 Ų17754.5 Ų54.567%0.66826%0.257SS*.  trans-142.6132.5179.1-71.4179.2177.3-171.6-3.7107.4R515 T519R515-R517 PolarHBondContact O-N 3.4Å; R517-T519 PolarHBondContact O-N 2.99Å
518L86.2Confident82Confident1 Ų158.9 Ų58.91%0.00527%0.268CS..  trans-66.4124.2173.2-60.7179.6000108.6F516 M522 I538 L622 E625 Y626 R629F516-L518 HydrophobicContact CE1-CD2 3.67Å; F516-L518 HydrophobicContact CZ-CD2 4.17Å; L518-M522 HydrophobicContact CD2-CE 3.64Å; L518-I538 HydrophobicContact CD1-CD1 4.16Å; L518-I538 HydrophobicContact CD2-CD1 4.04Å; L518-I538 HydrophobicContact CD2-CG1 3.87Å; L518-L622 HydrophobicContact CD1-CB 4.43Å; L518-E625 HydrophobicContact CD1-CB 4.22Å; L518-E625 HydrophobicContact CD1-CG 4.37Å; L518-Y626 HydrophobicContact CD1-CD2 4.47Å; L518-Y626 HydrophobicContact CD1-CG 4.49Å; L518-R629 PolarHBondContact O-NE 3.5Å; L518-R629 VanDerWaalsContact O-NE 3.12Å; L518-R629 PolarHBondContact O-NH1 2.87Å; L518-R629 PolarHBondContact O-NH2 3.23Å
519T85.6Confident81.3Confident50 Ų5052.9 Ų52.931%0.30725%0.245SC..  trans-115.8146.2174.468.90000110.1R517 N521 M522 L523R517-T519 PolarHBondContact O-N 2.99Å; T519-N521 VanDerWaalsContact C-N 3.25Å; T519-N521 PolarHBondContact O-N 3.4Å; T519-M522 PolarHBondContact O-N 3.36Å; T519-M522 VanDerWaalsContact O-N 3.15Å; T519-M522 WeakPolarHBondContact OG1-CB 3.26Å; T519-M522 PolarHBondContact OG1-N 2.76Å; T519-L523 WeakPolarHBondContact O-CG 3.17Å; T519-L523 PolarHBondContact O-N 2.95Å
520Y88.1Confident80.8Confident42 Ų4259.3 Ų59.317%0.16527%0.273CS..Hα-helixtrans-61.6-35.3179.3-64.1-68.4000112.2L524 R629 V632 L633 L660Y520-L524 WeakPolarHBondContact O-CB 3.3Å; Y520-L524 VanDerWaalsContact O-CG 3.24Å; Y520-L524 WeakPolarHBondContact O-CG 3.39Å; Y520-L524 PolarHBondContact O-N 3.35Å; Y520-R629 HydrophobicContact CD1-CB 4.36Å; Y520-R629 HydrophobicContact CD1-CG 4.46Å; Y520-R629 HydrophobicContact CE1-CB 3.76Å; Y520-R629 HydrophobicContact CE1-CG 3.72Å; Y520-V632 HydrophobicContact CE1-CB 4.14Å; Y520-V632 HydrophobicContact CE1-CG1 3.96Å; Y520-L633 HydrophobicContact CD1-CD1 4.33Å; Y520-L633 HydrophobicContact CD1-CD2 3.82Å; Y520-L633 HydrophobicContact CD1-CG 3.94Å; Y520-L633 HydrophobicContact CE1-CG 4.39Å; Y520-L660 HydrophobicContact CD1-CD1 3.98Å; Y520-L660 HydrophobicContact CD1-CD2 4.4Å; Y520-L660 HydrophobicContact CD1-CG 4.48Å; Y520-L660 HydrophobicContact CD2-CD1 3.41Å; Y520-L660 VanDerWaalsContact CD2-CD1 3.41Å; Y520-L660 HydrophobicContact CD2-CD2 4.43Å; Y520-L660 HydrophobicContact CD2-CG 3.74Å; Y520-L660 HydrophobicContact CE1-CD1 3.95Å; Y520-L660 HydrophobicContact CE2-CD1 3.38Å; Y520-L660 HydrophobicContact CE2-CG 4.23Å; Y520-L660 HydrophobicContact CG-CD1 3.7Å; Y520-L660 HydrophobicContact CG-CD2 4.05Å; Y520-L660 HydrophobicContact CG-CG 3.88Å
521N83.9Confident80.7Confident8 Ų860.6 Ų60.64%0.04328%0.281CS..Hα-helixtrans-61.9-47.8172.5-178.4-76.1000111.6T519 L523 L524 N525 A653 I655 P659T519-N521 VanDerWaalsContact C-N 3.25Å; T519-N521 PolarHBondContact O-N 3.4Å; N521-L523 PolarHBondContact O-N 3.22Å; N521-L524 PolarHBondContact O-N 2.91Å; N521-N525 WeakPolarHBondContact O-CB 3.25Å; N521-N525 PolarHBondContact O-N 3.46Å; N521-N525 PolarHBondContact O-ND2 2.94Å; N521-N525 PolarHBondContact OD1-ND2 3.32Å; N521-A653 PolarHBondContact ND2-O 3.48Å; N521-I655 PolarHBondContact ND2-O 3.41Å; N521-P659 HydrophobicContact CB-CG 4.15Å
522M83.9Confident80.8Confident4 Ų456.3 Ų56.32%0.0226%0.263CS..Hα-helixtrans-60.4-47.4177.7-173.8-163.577.200111.4E216 F516 L518 T519 L524 N525 L526 M537E216-M522 HydrophobicContact CG-SD 4.07Å; F516-M522 HydrophobicContact CE2-SD 4.15Å; F516-M522 HydrophobicContact CZ-CE 3.99Å; F516-M522 HydrophobicContact CZ-SD 4.05Å; L518-M522 HydrophobicContact CD2-CE 3.64Å; T519-M522 PolarHBondContact O-N 3.36Å; T519-M522 VanDerWaalsContact O-N 3.15Å; T519-M522 WeakPolarHBondContact OG1-CB 3.26Å; T519-M522 PolarHBondContact OG1-N 2.76Å; M522-L524 PolarHBondContact O-N 3.26Å; M522-N525 PolarHBondContact O-N 2.78Å; M522-L526 HydrophobicContact CE-CD1 3.95Å; M522-L526 HydrophobicContact CG-CD1 3.84Å; M522-L526 HydrophobicContact CG-CG 4.31Å; M522-L526 WeakPolarHBondContact O-CB 3.45Å; M522-L526 VanDerWaalsContact O-CG 3.31Å; M522-L526 WeakPolarHBondContact O-CG 3.41Å; M522-L526 PolarHBondContact O-N 3.36Å; M522-L526 HydrophobicContact SD-CD1 4.25Å; M522-M537 HydrophobicContact CE-CG 4.44Å; M522-M537 HydrophobicContact SD-CE 3.93Å; M522-M537 HydrophobicContact SD-CG 4.36Å
523L88.7Confident81.3Confident0 Ų056.9 Ų56.90%027%0.269CS..Hα-helixtrans-61.2-46.8179.4-66.9-178.4000111.9T519 N521 N525 L526 F527 P534 Y626 R629 L633T519-L523 WeakPolarHBondContact O-CG 3.17Å; T519-L523 PolarHBondContact O-N 2.95Å; N521-L523 PolarHBondContact O-N 3.22Å; L523-N525 VanDerWaalsContact C-N 3.31Å; L523-N525 PolarHBondContact O-N 2.97Å; L523-L526 PolarHBondContact O-N 2.87Å; L523-F527 HydrophobicContact CB-CE2 4.47Å; L523-F527 WeakPolarHBondContact O-CD2 3.48Å; L523-F527 WeakPolarHBondContact O-CG 2.89Å; L523-F527 PolarHBondContact O-N 3.39Å; L523-P534 HydrophobicContact CD2-CB 3.87Å; L523-P534 HydrophobicContact CD2-CG 4.21Å; L523-Y626 HydrophobicContact CD1-CD2 4.23Å; L523-Y626 HydrophobicContact CD1-CE2 4.45Å; L523-Y626 HydrophobicContact CD2-CD2 3.94Å; L523-Y626 HydrophobicContact CD2-CE2 3.81Å; L523-R629 HydrophobicContact CD1-CB 3.71Å; L523-R629 HydrophobicContact CD1-CG 4.49Å; L523-L633 HydrophobicContact CB-CD1 4.16Å; L523-L633 HydrophobicContact CD1-CD1 4.38Å
524L88.3Confident81.8Confident0 Ų049.3 Ų49.30%023%0.234CC..Hα-helixtrans-63.3-36.1177.6-71.7169.8000112.6Y520 N521 M522 R528 L633 I639 V645 A652 A653Y520-L524 WeakPolarHBondContact O-CB 3.3Å; Y520-L524 VanDerWaalsContact O-CG 3.24Å; Y520-L524 WeakPolarHBondContact O-CG 3.39Å; Y520-L524 PolarHBondContact O-N 3.35Å; N521-L524 PolarHBondContact O-N 2.91Å; M522-L524 PolarHBondContact O-N 3.26Å; L524-R528 VanDerWaalsContact O-CB 3.29Å; L524-R528 WeakPolarHBondContact O-CB 3.21Å; L524-R528 PolarHBondContact O-N 3.4Å; L524-R528 VanDerWaalsContact O-N 3.15Å; L524-L633 HydrophobicContact CD1-CD2 4.19Å; L524-L633 HydrophobicContact CD2-CD1 4.34Å; L524-L633 HydrophobicContact CD2-CD2 4.13Å; L524-L633 HydrophobicContact CG-CD1 4.41Å; L524-L633 HydrophobicContact CG-CD2 4.14Å; L524-I639 HydrophobicContact CD2-CG2 3.78Å; L524-V645 HydrophobicContact CD2-CG1 4.17Å; L524-A652 HydrophobicContact CD1-CB 3.6Å; L524-A653 HydrophobicContact CB-CB 4.04Å
525N84.6Confident82.1Confident6 Ų652.1 Ų52.13%0.03224%0.243CC..Hα-helixtrans-73.7-38.2175.9-84.8-54.3000113.1I191 N521 M522 L523 R528 A529 A653I191-N525 HydrophobicContact CD1-CB 4.11Å; I191-N525 HydrophobicContact CG1-CB 4.35Å; I191-N525 HydrophobicContact CG2-CB 3.68Å; I191-N525 WeakPolarHBondContact CG2-OD1 3.45Å; N521-N525 WeakPolarHBondContact O-CB 3.25Å; N521-N525 PolarHBondContact O-N 3.46Å; N521-N525 PolarHBondContact O-ND2 2.94Å; N521-N525 PolarHBondContact OD1-ND2 3.32Å; M522-N525 PolarHBondContact O-N 2.78Å; L523-N525 VanDerWaalsContact C-N 3.31Å; L523-N525 PolarHBondContact O-N 2.97Å; N525-R528 CarbonylContact O-C 3.55Å; N525-R528 PolarHBondContact O-N 2.87Å; N525-R528 VanDerWaalsContact O-N 3.11Å; N525-R528 PolarHBondContact OD1-NE 3.4Å; N525-R528 PolarHBondContact OD1-NH2 3.18Å; N525-A529 WeakPolarHBondContact O-CB 3.48Å; N525-A529 PolarHBondContact O-N 2.67Å; N525-A653 PolarHBondContact ND2-O 3.38Å
526L86.1Confident82.5Confident11 Ų1147.9 Ų47.96%0.05823%0.232CC..Hα-helixtrans-65.8-38.8173.8-68.6171.1000111.9M522 L523 R528 A529 I532 P534 M537M522-L526 HydrophobicContact CE-CD1 3.95Å; M522-L526 HydrophobicContact CG-CD1 3.84Å; M522-L526 HydrophobicContact CG-CG 4.31Å; M522-L526 WeakPolarHBondContact O-CB 3.45Å; M522-L526 VanDerWaalsContact O-CG 3.31Å; M522-L526 WeakPolarHBondContact O-CG 3.41Å; M522-L526 PolarHBondContact O-N 3.36Å; M522-L526 HydrophobicContact SD-CD1 4.25Å; L523-L526 PolarHBondContact O-N 2.87Å; L526-R528 PolarHBondContact O-N 2.91Å; L526-A529 PolarHBondContact O-N 3.12Å; L526-I532 HydrophobicContact CD2-CB 4.45Å; L526-I532 HydrophobicContact CD2-CG2 4.32Å; L526-P534 HydrophobicContact CB-CG 3.99Å; L526-P534 HydrophobicContact CD1-CB 4.44Å; L526-P534 HydrophobicContact CD1-CG 4.37Å; L526-M537 HydrophobicContact CD1-CB 3.93Å; L526-M537 HydrophobicContact CD1-CG 3.87Å; L526-M537 HydrophobicContact CD1-SD 4.41Å; L526-M537 HydrophobicContact CD2-SD 4.46Å
527F87.7Confident82.7Confident45 Ų4547.3 Ų47.320%0.19723%0.23CC..Hα-helixtrans-67.9-20.5171.5-71.2-50.5000113.7L523 P534 Y626 L630 I639 C643 V645L523-F527 HydrophobicContact CB-CE2 4.47Å; L523-F527 WeakPolarHBondContact O-CD2 3.48Å; L523-F527 WeakPolarHBondContact O-CG 2.89Å; L523-F527 PolarHBondContact O-N 3.39Å; F527-P534 HydrophobicContact CD1-CG 4.14Å; F527-P534 HydrophobicContact CE1-CG 3.73Å; F527-P534 HydrophobicContact CE2-CG 4.29Å; F527-P534 HydrophobicContact CZ-CG 3.83Å; F527-Y626 HydrophobicContact CZ-CE2 4.34Å; F527-Y626 WeakPolarHBondContact CZ-OH 3.1Å; F527-L630 HydrophobicContact CE2-CD2 3.61Å; F527-L630 HydrophobicContact CZ-CD2 3.58Å; F527-I639 HydrophobicContact CD2-CG2 4.32Å; F527-I639 HydrophobicContact CE2-CD1 4.15Å; F527-C643 HydrophobicContact CD1-CB 3.88Å; F527-C643 HydrophobicContact CE1-CB 3.57Å; F527-C643 HydrophobicContact CE2-CB 4.47Å; F527-C643 HydrophobicContact CG-CB 4.48Å; F527-C643 HydrophobicContact CZ-CB 3.88Å; F527-V645 HydrophobicContact CB-CG2 3.46Å; F527-V645 VanDerWaalsContact CB-CG2 3.46Å
528R81.6Confident82.9Confident110 Ų11039.1 Ų39.142%0.41520%0.199SC..Hα-helixtrans-91.6-24.5177.2-166.1175.468.390.91.2113.1L524 N525 L526 V645L524-R528 VanDerWaalsContact O-CB 3.29Å; L524-R528 WeakPolarHBondContact O-CB 3.21Å; L524-R528 PolarHBondContact O-N 3.4Å; L524-R528 VanDerWaalsContact O-N 3.15Å; N525-R528 CarbonylContact O-C 3.55Å; N525-R528 PolarHBondContact O-N 2.87Å; N525-R528 VanDerWaalsContact O-N 3.11Å; N525-R528 PolarHBondContact OD1-NE 3.4Å; N525-R528 PolarHBondContact OD1-NH2 3.18Å; L526-R528 PolarHBondContact O-N 2.91Å; R528-V645 HydrophobicContact CB-CG2 4.27Å
529A68.3Low82.8Confident17 Ų1741.3 Ų41.314%0.1422%0.222CC..SBendtrans-125.395.2-171.900000112.2N525 L526N525-A529 WeakPolarHBondContact O-CB 3.48Å; N525-A529 PolarHBondContact O-N 2.67Å; L526-A529 PolarHBondContact O-N 3.12Å
530Q64.5Low82.8Confident164 Ų16442.2 Ų42.277%0.76622%0.222SC*.THydrogen-bonded Turntrans-63.7147.5161.4-66.1-157.92.700109.5Q193Q193-Q530 PolarHBondContact NE2-O 3.06Å
531P71.2Confident82.8Confident109 Ų10940.3 Ų40.371%0.70821%0.214SC*.THydrogen-bonded Turncis-106.35.226.739.6-36.5000117.2
532I78.5Confident82.8Confident29 Ų2940.8 Ų40.815%0.14922%0.216CC..  trans-105.4114.1-174.7-59.5177.1000110.3M220 L526 I536 M537M220-I532 HydrophobicContact CB-CD1 4.32Å; M220-I532 HydrophobicContact CG-CD1 4.19Å; L526-I532 HydrophobicContact CD2-CB 4.45Å; L526-I532 HydrophobicContact CD2-CG2 4.32Å; I532-I536 HydrophobicContact CG2-CB 4.35Å; I532-I536 HydrophobicContact CG2-CG2 4.22Å; I532-M537 HydrophobicContact CG2-CB 4.42Å; I532-M537 HydrophobicContact CG2-SD 4.31Å
533T85.1Confident82.7Confident53 Ų5342 Ų4233%0.32522%0.224SC..  trans-80.1158.8174.181.70000111.5E535 I536 M537T533-E535 WeakPolarHBondContact CB-OE2 3.29Å; T533-E535 PolarHBondContact O-N 2.91Å; T533-E535 PolarHBondContact OG1-OE2 3.31Å; T533-I536 HydrophobicContact CG2-CD1 4.33Å; T533-I536 PolarHBondContact O-N 3.08Å; T533-I536 PolarHBondContact OG1-N 3.26Å; T533-M537 PolarHBondContact O-N 2.91Å
534P86.2Confident82.3Confident2 Ų242.3 Ų42.31%0.01323%0.225CC..Hα-helixtrans-58.1-31.9176.2-25.135.5000114.4L523 L526 F527 M537 I538 Y626L523-P534 HydrophobicContact CD2-CB 3.87Å; L523-P534 HydrophobicContact CD2-CG 4.21Å; L526-P534 HydrophobicContact CB-CG 3.99Å; L526-P534 HydrophobicContact CD1-CB 4.44Å; L526-P534 HydrophobicContact CD1-CG 4.37Å; F527-P534 HydrophobicContact CD1-CG 4.14Å; F527-P534 HydrophobicContact CE1-CG 3.73Å; F527-P534 HydrophobicContact CE2-CG 4.29Å; F527-P534 HydrophobicContact CZ-CG 3.83Å; P534-M537 WeakPolarHBondContact O-CB 3.23Å; P534-M537 PolarHBondContact O-N 3.04Å; P534-I538 WeakPolarHBondContact O-CB 3.34Å; P534-I538 VanDerWaalsContact O-CG1 3.31Å; P534-I538 WeakPolarHBondContact O-CG1 3.25Å; P534-I538 PolarHBondContact O-N 2.96Å; P534-Y626 HydrophobicContact CB-CE2 3.65Å; P534-Y626 HydrophobicContact CG-CE2 4.27Å
535E86.1Confident81.8Confident93 Ų9342.5 Ų42.544%0.43523%0.226SC..Hα-helixtrans-66.5-42.8177.3-55.973-157.800110.9T533 M537 I538 G539 Y626T533-E535 WeakPolarHBondContact CB-OE2 3.29Å; T533-E535 PolarHBondContact O-N 2.91Å; T533-E535 PolarHBondContact OG1-OE2 3.31Å; E535-M537 VanDerWaalsContact C-N 3.29Å; E535-M537 PolarHBondContact O-N 3.18Å; E535-I538 PolarHBondContact O-N 3.15Å; E535-G539 PolarHBondContact O-N 2.64Å; E535-Y626 HydrophobicContact CG-CE1 4.24Å; E535-Y626 WeakPolarHBondContact OE1-CE1 3.44Å; E535-Y626 PolarHBondContact OE1-OH 2.76Å
536I84.6Confident81.1Confident73 Ų7345.3 Ų45.337%0.37424%0.243SC..Hα-helixtrans-66.3-34.8174.1-62.6172.6000110.7I532 T533 K540I532-I536 HydrophobicContact CG2-CB 4.35Å; I532-I536 HydrophobicContact CG2-CG2 4.22Å; T533-I536 HydrophobicContact CG2-CD1 4.33Å; T533-I536 PolarHBondContact O-N 3.08Å; T533-I536 PolarHBondContact OG1-N 3.26Å; I536-K540 HydrophobicContact CG2-CD 4.05Å; I536-K540 WeakPolarHBondContact O-CB 3.49Å; I536-K540 VanDerWaalsContact O-CG 3.3Å; I536-K540 WeakPolarHBondContact O-CG 3.46Å; I536-K540 PolarHBondContact O-N 3.04Å
537M86.4Confident80.4Confident0 Ų045.3 Ų45.30%024%0.244CC..Hα-helixtrans-65.5-47.1175.3-163.677158.300111.4E216 I219 M220 F516 M522 L526 I532 T533 P534 E535 K540 S541E216-M537 HydrophobicContact CB-CE 3.71Å; E216-M537 HydrophobicContact CG-CE 4.01Å; I219-M537 HydrophobicContact CB-SD 4.03Å; I219-M537 HydrophobicContact CD1-SD 4.36Å; I219-M537 HydrophobicContact CG2-SD 3.68Å; M220-M537 HydrophobicContact CG-CE 4Å; M220-M537 HydrophobicContact CG-SD 4.17Å; M220-M537 HydrophobicContact SD-CE 4.08Å; F516-M537 HydrophobicContact CE2-CE 4.43Å; F516-M537 HydrophobicContact CE2-CG 4.26Å; F516-M537 HydrophobicContact CZ-CG 3.98Å; M522-M537 HydrophobicContact CE-CG 4.44Å; M522-M537 HydrophobicContact SD-CE 3.93Å; M522-M537 HydrophobicContact SD-CG 4.36Å; L526-M537 HydrophobicContact CD1-CB 3.93Å; L526-M537 HydrophobicContact CD1-CG 3.87Å; L526-M537 HydrophobicContact CD1-SD 4.41Å; L526-M537 HydrophobicContact CD2-SD 4.46Å; I532-M537 HydrophobicContact CG2-CB 4.42Å; I532-M537 HydrophobicContact CG2-SD 4.31Å; T533-M537 PolarHBondContact O-N 2.91Å; P534-M537 WeakPolarHBondContact O-CB 3.23Å; P534-M537 PolarHBondContact O-N 3.04Å; E535-M537 VanDerWaalsContact C-N 3.29Å; E535-M537 PolarHBondContact O-N 3.18Å; M537-K540 PolarHBondContact O-N 3.4Å; M537-S541 PolarHBondContact O-N 2.77Å
538I86.3Confident79.7Confident4 Ų447.6 Ų47.62%0.02125%0.254CS..Hα-helixtrans-64.9-51.4178.1-71.8162.7000110.9L518 P534 E535 K540 S541 E544 L620 L622 Y626L518-I538 HydrophobicContact CD1-CD1 4.16Å; L518-I538 HydrophobicContact CD2-CD1 4.04Å; L518-I538 HydrophobicContact CD2-CG1 3.87Å; P534-I538 WeakPolarHBondContact O-CB 3.34Å; P534-I538 VanDerWaalsContact O-CG1 3.31Å; P534-I538 WeakPolarHBondContact O-CG1 3.25Å; P534-I538 PolarHBondContact O-N 2.96Å; E535-I538 PolarHBondContact O-N 3.15Å; I538-K540 PolarHBondContact O-N 3.34Å; I538-K540 VanDerWaalsContact O-N 3.13Å; I538-S541 VanDerWaalsContact O-CB 3.26Å; I538-S541 WeakPolarHBondContact O-CB 3.19Å; I538-S541 PolarHBondContact O-N 2.99Å; I538-S541 PolarHBondContact O-OG 3Å; I538-E544 HydrophobicContact CG2-CG 4.43Å; I538-L620 HydrophobicContact CG2-CB 4.4Å; I538-L620 HydrophobicContact CG2-CD1 4.27Å; I538-L622 HydrophobicContact CG1-CB 4.49Å; I538-L622 HydrophobicContact CG2-CB 3.95Å; I538-L622 HydrophobicContact CG2-CD1 4.34Å; I538-Y626 HydrophobicContact CD1-CD1 4.01Å; I538-Y626 HydrophobicContact CD1-CD2 4.11Å; I538-Y626 HydrophobicContact CD1-CG 3.71Å
539G82.8Confident79.4Confident48 Ų4846.1 Ų46.150%0.49525%0.249SC..Hα-helixtrans-66.9-12.1-178.700000114.7E535E535-G539 PolarHBondContact O-N 2.64Å
540K85.8Confident79.6Confident69 Ų6948.1 Ų48.130%0.326%0.261SS..THydrogen-bonded Turntrans-101-3.7170.1-71.7-178.3178.6-1760113.8I219 W243 I247 I536 M537 I538I219-K540 HydrophobicContact CD1-CB 4.21Å; I219-K540 HydrophobicContact CG1-CB 4.12Å; I219-K540 HydrophobicContact CG2-CB 3.88Å; I219-K540 HydrophobicContact CG2-CD 3.91Å; W243-K540 WeakPolarHBondContact CZ2-O 3.41Å; W243-K540 PolarHBondContact NE1-O 3.21Å; I247-K540 HydrophobicContact CG2-CB 4.04Å; I247-K540 HydrophobicContact CG2-CG 4.23Å; I536-K540 HydrophobicContact CG2-CD 4.05Å; I536-K540 WeakPolarHBondContact O-CB 3.49Å; I536-K540 VanDerWaalsContact O-CG 3.3Å; I536-K540 WeakPolarHBondContact O-CG 3.46Å; I536-K540 PolarHBondContact O-N 3.04Å; M537-K540 PolarHBondContact O-N 3.4Å; I538-K540 PolarHBondContact O-N 3.34Å; I538-K540 VanDerWaalsContact O-N 3.13Å
541S87.3Confident80Confident2 Ų244.7 Ų44.71%0.01424%0.242CC..SBendtrans-64.8153.9179.3730000112.1E215 M537 I538 V543 E544 N545E215-S541 WeakPolarHBondContact OE1-CA 3.49Å; E215-S541 WeakPolarHBondContact OE1-CB 3.38Å; M537-S541 PolarHBondContact O-N 2.77Å; I538-S541 VanDerWaalsContact O-CB 3.26Å; I538-S541 WeakPolarHBondContact O-CB 3.19Å; I538-S541 PolarHBondContact O-N 2.99Å; I538-S541 PolarHBondContact O-OG 3Å; S541-V543 VanDerWaalsContact C-N 3.27Å; S541-E544 PolarHBondContact O-N 2.89Å; S541-E544 WeakPolarHBondContact OG-CG 3.44Å; S541-N545 PolarHBondContact O-N 3.21Å
542Y84.6Confident80.3Confident17 Ų1742.3 Ų42.37%0.06722%0.223CC..SBendtrans-75.1-19.1176-172.7-119.8000111.6E215 E239 F240 W243 I512 E544 N545E215-Y542 PolarHBondContact OE1-N 3.06Å; E239-Y542 HydrophobicContact CG-CE2 4.05Å; F240-Y542 HydrophobicContact CD2-CD1 4.09Å; F240-Y542 HydrophobicContact CD2-CD2 4.11Å; F240-Y542 AromaticContact CD2-CE1 3.91Å; F240-Y542 HydrophobicContact CD2-CE1 3.91Å; F240-Y542 AromaticContact CD2-CE2 3.89Å; F240-Y542 HydrophobicContact CD2-CE2 3.89Å; F240-Y542 HydrophobicContact CD2-CG 4.21Å; F240-Y542 AromaticContact CD2-CZ 3.8Å; F240-Y542 HydrophobicContact CE2-CD1 4.19Å; F240-Y542 HydrophobicContact CE2-CE1 4.4Å; F240-Y542 HydrophobicContact CE2-CG 4.3Å; W243-Y542 HydrophobicContact CB-CD2 3.93Å; W243-Y542 HydrophobicContact CB-CE2 4.2Å; W243-Y542 AromaticContact CD2-CD2 3.65Å; W243-Y542 HydrophobicContact CD2-CD2 3.65Å; W243-Y542 HydrophobicContact CD2-CG 4.17Å; W243-Y542 AromaticContact CE3-CD2 3.92Å; W243-Y542 HydrophobicContact CE3-CD2 3.92Å; W243-Y542 HydrophobicContact CE3-CG 4.27Å; W243-Y542 AromaticContact CG-CD2 3.61Å; W243-Y542 HydrophobicContact CG-CD2 3.61Å; W243-Y542 HydrophobicContact CG-CE2 4.36Å; I512-Y542 HydrophobicContact CG2-CE1 4.11Å; I512-Y542 WeakPolarHBondContact O-CE1 3.36Å; Y542-E544 VanDerWaalsContact C-N 3.33Å; Y542-N545 HydrophobicContact CD2-CB 3.77Å; Y542-N545 HydrophobicContact CE2-CB 4.24Å; Y542-N545 VanDerWaalsContact O-CB 3.26Å; Y542-N545 WeakPolarHBondContact O-CB 3.46Å; Y542-N545 PolarHBondContact O-N 2.98Å
543V81.1Confident80.3Confident31 Ų3144.3 Ų44.319%0.18824%0.24CC..Hα-helixtrans-57.4-47.7168.9-177.80000110.7S514 F516 S541 N545 R621 L622S514-V543 VanDerWaalsContact OG-CG2 3.23Å; S514-V543 WeakPolarHBondContact OG-CG2 3.18Å; F516-V543 HydrophobicContact CB-CG2 4.07Å; S541-V543 VanDerWaalsContact C-N 3.27Å; V543-N545 VanDerWaalsContact C-N 3.26Å; V543-N545 PolarHBondContact O-N 3.37Å; V543-R621 HydrophobicContact CG1-CB 4.38Å; V543-L622 HydrophobicContact CB-CD1 4.08Å; V543-L622 HydrophobicContact CG1-CD1 4.32Å; V543-L622 HydrophobicContact CG1-CG 4.23Å; V543-L622 HydrophobicContact CG2-CD1 4.17Å
544E80.4Confident79.9Confident6 Ų642.7 Ų42.73%0.02823%0.229CC..Hα-helixtrans-82.6-2.7-178.4-50.5-62174.800112.7I538 S541 Y542 V546 S547 F548 L620 R621 L622I538-E544 HydrophobicContact CG2-CG 4.43Å; S541-E544 PolarHBondContact O-N 2.89Å; S541-E544 WeakPolarHBondContact OG-CG 3.44Å; Y542-E544 VanDerWaalsContact C-N 3.33Å; E544-V546 VanDerWaalsContact C-N 3.25Å; E544-V546 PolarHBondContact O-N 3.38Å; E544-S547 WeakPolarHBondContact O-CB 3.36Å; E544-S547 PolarHBondContact O-N 2.94Å; E544-S547 PolarHBondContact OE2-OG 2.92Å; E544-F548 WeakPolarHBondContact O-CB 3.32Å; E544-F548 PolarHBondContact O-N 2.85Å; E544-L620 HydrophobicContact CB-CD2 4.1Å; E544-L620 HydrophobicContact CG-CD2 3.73Å; E544-R621 VanDerWaalsContact CD-N 3.28Å; E544-R621 WeakPolarHBondContact OE1-CA 3.45Å; E544-R621 PolarHBondContact OE1-N 3.3Å; E544-R621 PolarHBondContact OE2-N 2.69Å; E544-L622 PolarHBondContact OE1-N 2.57Å
545N77.9Confident79.7Confident3 Ų345.8 Ų45.82%0.01625%0.245CC..Hα-helixtrans-62.3-34.3175.9-174.768.3000112.3E239 R246 S541 Y542 V543 R549E239-N545 PolarHBondContact OE1-ND2 3.2Å; E239-N545 VanDerWaalsContact OE1-ND2 3.08Å; R246-N545 PolarHBondContact NH1-OD1 3.32Å; R246-N545 PolarHBondContact NH2-OD1 3.01Å; S541-N545 PolarHBondContact O-N 3.21Å; Y542-N545 HydrophobicContact CD2-CB 3.77Å; Y542-N545 HydrophobicContact CE2-CB 4.24Å; Y542-N545 VanDerWaalsContact O-CB 3.26Å; Y542-N545 WeakPolarHBondContact O-CB 3.46Å; Y542-N545 PolarHBondContact O-N 2.98Å; V543-N545 VanDerWaalsContact C-N 3.26Å; V543-N545 PolarHBondContact O-N 3.37Å; N545-R549 WeakPolarHBondContact O-CB 3.33Å; N545-R549 WeakPolarHBondContact O-CG 3.38Å; N545-R549 PolarHBondContact O-N 2.69Å
546V71.4Confident79.5Confident66 Ų6645.6 Ų45.640%0.425%0.247SC..Hα-helixtrans-67.2-49.6174-177.20000109.8E544 F548 R549 S550E544-V546 VanDerWaalsContact C-N 3.25Å; E544-V546 PolarHBondContact O-N 3.38Å; V546-F548 VanDerWaalsContact C-N 3.31Å; V546-F548 PolarHBondContact O-N 2.78Å; V546-R549 PolarHBondContact O-N 2.73Å; V546-S550 PolarHBondContact O-N 3.32Å; V546-S550 PolarHBondContact O-OG 3.24Å
547S69.7Low79.2Confident10 Ų1044 Ų447%0.0724%0.243CC..Hα-helixtrans-53.1-48.4175.3-39.70000111.1E544 S550 Y551E544-S547 WeakPolarHBondContact O-CB 3.36Å; E544-S547 PolarHBondContact O-N 2.94Å; E544-S547 PolarHBondContact OE2-OG 2.92Å; S547-S550 PolarHBondContact O-N 3.41Å; S547-Y551 VanDerWaalsContact O-CB 3.28Å; S547-Y551 WeakPolarHBondContact O-CB 3.23Å; S547-Y551 PolarHBondContact O-N 3.15Å
548F73.8Confident78.9Confident94 Ų9446.5 Ų46.541%0.41226%0.255SS..Hα-helixtrans-64.9-38.2178.7-179.3-97.5000113.7R246 E544 V546 N552R246-F548 VanDerWaalsContact NH1-CD1 3.31Å; E544-F548 WeakPolarHBondContact O-CB 3.32Å; E544-F548 PolarHBondContact O-N 2.85Å; V546-F548 VanDerWaalsContact C-N 3.31Å; V546-F548 PolarHBondContact O-N 2.78Å; F548-N552 WeakPolarHBondContact CD1-ND2 3.29Å; F548-N552 WeakPolarHBondContact CE1-ND2 3.49Å; F548-N552 VanDerWaalsContact CZ-ND2 3.29Å; F548-N552 WeakPolarHBondContact CZ-ND2 3.41Å; F548-N552 VanDerWaalsContact O-CG 3.28Å; F548-N552 PolarHBondContact O-N 3Å; F548-N552 PolarHBondContact O-ND2 3.38Å
549R74.8Confident78.8Confident79 Ų7949.7 Ų49.730%0.29827%0.272SS..Hα-helixtrans-71-42.5176.4-79.8175.2157.5-144.5-13.9111.9E239 D242 N545 V546 N552 S553E239-R549 VanDerWaalsContact CG-NH1 3.28Å; E239-R549 WeakPolarHBondContact OE1-CD 3.14Å; E239-R549 IonicContact OE1-CZ 2.85Å; E239-R549 IonicContact OE1-NE 3.71Å; E239-R549 PolarHBondContact OE1-NE 3.29Å; E239-R549 IonicContact OE1-NH1 3.32Å; E239-R549 PolarHBondContact OE1-NH1 3.47Å; E239-R549 IonicContact OE2-NH1 2.65Å; D242-R549 IonicContact OD2-CZ 3.44Å; D242-R549 IonicContact OD2-NE 3.83Å; D242-R549 PolarHBondContact OD2-NE 3.28Å; D242-R549 IonicContact OD2-NH2 2.71Å; D242-R549 PolarHBondContact OD2-NH2 3.16Å; N545-R549 WeakPolarHBondContact O-CB 3.33Å; N545-R549 WeakPolarHBondContact O-CG 3.38Å; N545-R549 PolarHBondContact O-N 2.69Å; V546-R549 PolarHBondContact O-N 2.73Å; R549-N552 PolarHBondContact O-N 2.75Å; R549-S553 PolarHBondContact O-N 2.98Å
550S72.4Confident78.9Confident59 Ų5954.1 Ų54.141%0.41327%0.274SS..Hα-helixtrans-58.8-46.3170.9-66.40000111.4V546 S547 N552 S553 L554V546-S550 PolarHBondContact O-N 3.32Å; V546-S550 PolarHBondContact O-OG 3.24Å; S547-S550 PolarHBondContact O-N 3.41Å; S550-N552 PolarHBondContact O-N 3.41Å; S550-S553 PolarHBondContact O-N 2.94Å; S550-L554 WeakPolarHBondContact O-CB 3.47Å; S550-L554 PolarHBondContact O-N 3.17Å
551Y73.6Confident78.7Confident92 Ų9253.7 Ų53.736%0.36128%0.275SS..Hα-helixtrans-58.3-45.8176.9179.7-103.7000112.9S547 L554 L555 Q618S547-Y551 VanDerWaalsContact O-CB 3.28Å; S547-Y551 WeakPolarHBondContact O-CB 3.23Å; S547-Y551 PolarHBondContact O-N 3.15Å; Y551-L554 WeakPolarHBondContact O-CB 3.23Å; Y551-L554 PolarHBondContact O-N 3.39Å; Y551-L555 HydrophobicContact CD1-CD1 3.99Å; Y551-L555 HydrophobicContact CD1-CG 4.36Å; Y551-L555 HydrophobicContact CE1-CD1 3.41Å; Y551-L555 VanDerWaalsContact CE1-CD1 3.41Å; Y551-L555 HydrophobicContact CE1-CG 3.98Å; Y551-L555 HydrophobicContact CE2-CG 4.46Å; Y551-L555 WeakPolarHBondContact O-CG 3.44Å; Y551-L555 PolarHBondContact O-N 2.97Å; Y551-Q618 VanDerWaalsContact CB-OE1 3.28Å
552N77.2Confident78.5Confident58 Ų5859.4 Ų59.431%0.3130%0.299SS..Hα-helixtrans-68.1-38177.5-66.5-38.5000112.5F548 R549 S550 L554 L555 D556F548-N552 WeakPolarHBondContact CD1-ND2 3.29Å; F548-N552 WeakPolarHBondContact CE1-ND2 3.49Å; F548-N552 VanDerWaalsContact CZ-ND2 3.29Å; F548-N552 WeakPolarHBondContact CZ-ND2 3.41Å; F548-N552 VanDerWaalsContact O-CG 3.28Å; F548-N552 PolarHBondContact O-N 3Å; F548-N552 PolarHBondContact O-ND2 3.38Å; R549-N552 PolarHBondContact O-N 2.75Å; S550-N552 PolarHBondContact O-N 3.41Å; N552-L554 VanDerWaalsContact C-N 3.26Å; N552-L554 PolarHBondContact O-N 3.46Å; N552-L555 PolarHBondContact O-N 3.42Å; N552-D556 PolarHBondContact O-N 3.31Å
553S79.3Confident78.5Confident72 Ų7263.5 Ų63.550%0.50332%0.317SS..Hα-helixtrans-63-36.1173.1-171.40000111.7R549 S550 S557R549-S553 PolarHBondContact O-N 2.98Å; S550-S553 PolarHBondContact O-N 2.94Å; S553-S557 WeakPolarHBondContact O-CB 3.48Å; S553-S557 PolarHBondContact O-N 3.23Å; S553-S557 VanDerWaalsContact O-N 3.08Å; S553-S557 PolarHBondContact O-OG 3.01Å
554L76.9Confident78.5Confident18 Ų1870 Ų709%0.09434%0.339CS..Hα-helixtrans-68.4-44.6174-169.760.3000111.2S550 Y551 N552 S557 M558 C611 M615S550-L554 WeakPolarHBondContact O-CB 3.47Å; S550-L554 PolarHBondContact O-N 3.17Å; Y551-L554 WeakPolarHBondContact O-CB 3.23Å; Y551-L554 PolarHBondContact O-N 3.39Å; N552-L554 VanDerWaalsContact C-N 3.26Å; N552-L554 PolarHBondContact O-N 3.46Å; L554-S557 CarbonylContact O-C 3.58Å; L554-S557 WeakPolarHBondContact O-CA 3.47Å; L554-S557 WeakPolarHBondContact O-CB 3.45Å; L554-S557 PolarHBondContact O-N 3.04Å; L554-M558 WeakPolarHBondContact O-CG 3.23Å; L554-M558 PolarHBondContact O-N 3.14Å; L554-C611 HydrophobicContact CD1-CB 4.13Å; L554-M615 HydrophobicContact CD2-CG 3.59Å; L554-M615 HydrophobicContact CD2-SD 4.48Å
555L80.6Confident78.4Confident68 Ų6875.6 Ų75.636%0.35637%0.368SS..Hα-helixtrans-58.9-47.2173.3-74.1-177.8000112.6Y551 N552 S557 M558 D559Y551-L555 HydrophobicContact CD1-CD1 3.99Å; Y551-L555 HydrophobicContact CD1-CG 4.36Å; Y551-L555 HydrophobicContact CE1-CD1 3.41Å; Y551-L555 VanDerWaalsContact CE1-CD1 3.41Å; Y551-L555 HydrophobicContact CE1-CG 3.98Å; Y551-L555 HydrophobicContact CE2-CG 4.46Å; Y551-L555 WeakPolarHBondContact O-CG 3.44Å; Y551-L555 PolarHBondContact O-N 2.97Å; N552-L555 PolarHBondContact O-N 3.42Å; L555-S557 PolarHBondContact O-N 2.97Å; L555-M558 HydrophobicContact CD2-SD 4.39Å; L555-M558 PolarHBondContact O-N 3.3Å; L555-D559 WeakPolarHBondContact O-CB 3.49Å; L555-D559 PolarHBondContact O-N 2.93Å
556D81.6Confident78.6Confident88 Ų8882.6 Ų82.647%0.47140%0.4SS..Hα-helixtrans-58.4-31.1173.9-91.912.8000111.4N552 R560N552-D556 PolarHBondContact O-N 3.31Å; D556-R560 WeakPolarHBondContact O-CB 3.24Å; D556-R560 VanDerWaalsContact O-CG 3.28Å; D556-R560 WeakPolarHBondContact O-CG 3.49Å; D556-R560 PolarHBondContact O-N 2.83Å; D556-R560 PolarHBondContact O-NE 3.01Å
557S80.1Confident79.2Confident40 Ų4086.5 Ų86.528%0.2842%0.418SS..Hα-helixtrans-80.7-38.4177.6-56.10000112.4S553 L554 L555 R560 L561S553-S557 WeakPolarHBondContact O-CB 3.48Å; S553-S557 PolarHBondContact O-N 3.23Å; S553-S557 VanDerWaalsContact O-N 3.08Å; S553-S557 PolarHBondContact O-OG 3.01Å; L554-S557 CarbonylContact O-C 3.58Å; L554-S557 WeakPolarHBondContact O-CA 3.47Å; L554-S557 WeakPolarHBondContact O-CB 3.45Å; L554-S557 PolarHBondContact O-N 3.04Å; L555-S557 PolarHBondContact O-N 2.97Å; S557-R560 PolarHBondContact O-N 2.78Å; S557-R560 PolarHBondContact OG-NH2 3.28Å; S557-L561 WeakPolarHBondContact O-CB 3.47Å; S557-L561 WeakPolarHBondContact O-CG 3.26Å; S557-L561 PolarHBondContact O-N 2.8Å
558M79.6Confident79.2Confident52 Ų5291.8 Ų91.826%0.25644%0.443SS..Hα-helixtrans-64.4-40.7172.3-69.3177.886.400111.8L554 L555 L561 K562 M615L554-M558 WeakPolarHBondContact O-CG 3.23Å; L554-M558 PolarHBondContact O-N 3.14Å; L555-M558 HydrophobicContact CD2-SD 4.39Å; L555-M558 PolarHBondContact O-N 3.3Å; M558-L561 PolarHBondContact O-N 2.88Å; M558-K562 WeakPolarHBondContact O-CB 3.3Å; M558-K562 WeakPolarHBondContact O-CG 3.41Å; M558-K562 PolarHBondContact O-N 3.17Å; M558-M615 HydrophobicContact CE-SD 4.11Å; M558-M615 HydrophobicContact SD-SD 3.95Å
559D83.7Confident78.9Confident72 Ų7292.7 Ų92.739%0.38546%0.459SS..Hα-helixtrans-63.9-42.8174.6175.273.1000111.4L555 L561 K562 K563L555-D559 WeakPolarHBondContact O-CB 3.49Å; L555-D559 PolarHBondContact O-N 2.93Å; D559-L561 VanDerWaalsContact C-N 3.34Å; D559-L561 PolarHBondContact O-N 3.33Å; D559-K562 PolarHBondContact O-N 2.76Å; D559-K563 WeakPolarHBondContact O-CB 2.95Å; D559-K563 WeakPolarHBondContact O-CG 3.19Å; D559-K563 PolarHBondContact O-N 2.83Å; D559-K563 VanDerWaalsContact OD1-CE 3.25Å; D559-K563 WeakPolarHBondContact OD1-CE 2.96Å; D559-K563 IonicContact OD1-NZ 3.64Å; D559-K563 PolarHBondContact OD1-NZ 2.78Å; D559-K563 IonicContact OD2-NZ 3.68Å; D559-K563 PolarHBondContact OD2-NZ 2.82Å
560R84.4Confident78.5Confident141 Ų14195.3 Ų95.353%0.53247%0.474SS..Hα-helixtrans-63-36.3171.9-77.1176.5-72-174.31.6112.9D556 S557 R564D556-R560 WeakPolarHBondContact O-CB 3.24Å; D556-R560 VanDerWaalsContact O-CG 3.28Å; D556-R560 WeakPolarHBondContact O-CG 3.49Å; D556-R560 PolarHBondContact O-N 2.83Å; D556-R560 PolarHBondContact O-NE 3.01Å; S557-R560 PolarHBondContact O-N 2.78Å; S557-R560 PolarHBondContact OG-NH2 3.28Å; R560-R564 WeakPolarHBondContact O-CG 3.4Å; R560-R564 PolarHBondContact O-N 3.37Å
561L82.2Confident78Confident60 Ų6099.3 Ų99.331%0.31449%0.49SS..Hα-helixtrans-72.8-42.5176-74.9169.1000112.2S557 M558 D559 R564 L565 L604S557-L561 WeakPolarHBondContact O-CB 3.47Å; S557-L561 WeakPolarHBondContact O-CG 3.26Å; S557-L561 PolarHBondContact O-N 2.8Å; M558-L561 PolarHBondContact O-N 2.88Å; D559-L561 VanDerWaalsContact C-N 3.34Å; D559-L561 PolarHBondContact O-N 3.33Å; L561-R564 WeakPolarHBondContact O-CB 3.16Å; L561-R564 PolarHBondContact O-N 3.15Å; L561-R564 VanDerWaalsContact O-N 3.12Å; L561-L565 PolarHBondContact O-N 3.04Å; L561-L604 HydrophobicContact CD2-CD2 4.24Å
562K83.6Confident77.1Confident122 Ų122100.9 Ų100.953%0.5351%0.509SS..Hα-helixtrans-60-46.6174.5-76.3179.3177.9-175.80111.7M558 D559 R564 L565 E566M558-K562 WeakPolarHBondContact O-CB 3.3Å; M558-K562 WeakPolarHBondContact O-CG 3.41Å; M558-K562 PolarHBondContact O-N 3.17Å; D559-K562 PolarHBondContact O-N 2.76Å; K562-R564 PolarHBondContact O-N 3.43Å; K562-L565 WeakPolarHBondContact O-CB 3.37Å; K562-L565 PolarHBondContact O-N 2.91Å; K562-E566 WeakPolarHBondContact O-CG 3.2Å; K562-E566 PolarHBondContact O-N 3.42Å
563K85.3Confident76.2Confident103 Ų103100.2 Ų100.245%0.44851%0.509SS..Hα-helixtrans-62-29.5174.4-75.3165.3-178.8155.80113.3D559 L567D559-K563 WeakPolarHBondContact O-CB 2.95Å; D559-K563 WeakPolarHBondContact O-CG 3.19Å; D559-K563 PolarHBondContact O-N 2.83Å; D559-K563 VanDerWaalsContact OD1-CE 3.25Å; D559-K563 WeakPolarHBondContact OD1-CE 2.96Å; D559-K563 IonicContact OD1-NZ 3.64Å; D559-K563 PolarHBondContact OD1-NZ 2.78Å; D559-K563 IonicContact OD2-NZ 3.68Å; D559-K563 PolarHBondContact OD2-NZ 2.82Å; K563-L567 WeakPolarHBondContact O-CD1 3.45Å; K563-L567 WeakPolarHBondContact O-CG 3.45Å; K563-L567 PolarHBondContact O-N 3.14Å
564R79.6Confident75.4Confident168 Ų168107.1 Ų107.163%0.63453%0.53SS*.Hα-helixtrans-72.7-40.8170.6-77.1-179.865.6-172.1-2112.1R560 L561 K562 L567 M568R560-R564 WeakPolarHBondContact O-CG 3.4Å; R560-R564 PolarHBondContact O-N 3.37Å; L561-R564 WeakPolarHBondContact O-CB 3.16Å; L561-R564 PolarHBondContact O-N 3.15Å; L561-R564 VanDerWaalsContact O-N 3.12Å; K562-R564 PolarHBondContact O-N 3.43Å; R564-L567 PolarHBondContact O-N 3.2Å; R564-M568 WeakPolarHBondContact O-CG 3.47Å; R564-M568 PolarHBondContact O-N 2.96Å
565L79.6Confident74.7Confident122 Ų122117.8 Ų117.864%0.63957%0.569SS**Hα-helixtrans-64.4-43.8177.9-173.466.5000111.7L561 K562 L567 M568L561-L565 PolarHBondContact O-N 3.04Å; K562-L565 WeakPolarHBondContact O-CB 3.37Å; K562-L565 PolarHBondContact O-N 2.91Å; L565-L567 PolarHBondContact O-N 3.41Å; L565-M568 HydrophobicContact CD1-SD 4.31Å; L565-M568 WeakPolarHBondContact O-CB 3.28Å; L565-M568 PolarHBondContact O-N 2.64Å
566E81.1Confident73.7Confident150 Ų150116.6 Ų116.670%0.70157%0.566SS**THydrogen-bonded Turntrans-61.4-22174.2-71.7166.5-170.200113.5K562K562-E566 WeakPolarHBondContact O-CG 3.2Å; K562-E566 PolarHBondContact O-N 3.42Å
567L83.1Confident72.6Confident148 Ų148120.2 Ų120.278%0.77558%0.577SS**THydrogen-bonded Turntrans-95.2-0.1176.5-70.5172.1000113.7K563 R564 L565K563-L567 WeakPolarHBondContact O-CD1 3.45Å; K563-L567 WeakPolarHBondContact O-CG 3.45Å; K563-L567 PolarHBondContact O-N 3.14Å; R564-L567 PolarHBondContact O-N 3.2Å; L565-L567 PolarHBondContact O-N 3.41Å
568M71.3Confident71.6Confident122 Ų122126.4 Ų126.460%0.60160%0.599SS**SBendtrans-79.6134.4174.6-66.8-174.369.500110.6R564 L565R564-M568 WeakPolarHBondContact O-CG 3.47Å; R564-M568 PolarHBondContact O-N 2.96Å; L565-M568 HydrophobicContact CD1-SD 4.31Å; L565-M568 WeakPolarHBondContact O-CB 3.28Å; L565-M568 PolarHBondContact O-N 2.64Å
569P67.8Low70.6Confident113 Ų113126.2 Ų126.273%0.73461%0.611SS**PPolyproline II helixtrans-71.3145-178.829.2-35000112.1L571P569-L571 PolarHBondContact O-N 3.2Å
570E65.7Low69.6Low134 Ų134127.6 Ų127.663%0.62662%0.615SS**PPolyproline II helixtrans-55.6129.3171.6-77.1-162.1148.100111.2T572 K578E570-T572 PolarHBondContact O-N 3.2Å; E570-K578 IonicContact OE1-NZ 2.7Å; E570-K578 PolarHBondContact OE1-NZ 2.74Å; E570-K578 WeakPolarHBondContact OE2-CE 3.13Å; E570-K578 IonicContact OE2-NZ 3.18Å; E570-K578 PolarHBondContact OE2-NZ 2.95Å
571L61.1Low68.8Low143 Ų143123.2 Ų123.275%0.74960%0.601SS**  trans-70.193.7178.6-74.4172.2000111.6P569 C573 I581P569-L571 PolarHBondContact O-N 3.2Å; L571-C573 PolarHBondContact O-N 3.24Å; L571-I581 HydrophobicContact CB-CD1 4.16Å; L571-I581 HydrophobicContact CD1-CD1 4.46Å
572T56.4Low68.2Low124 Ų124124.8 Ų124.876%0.76161%0.61SS**  trans-79.461.6-178.6440000113.3E570 K574E570-T572 PolarHBondContact O-N 3.2Å; T572-K574 PolarHBondContact O-N 3.3Å; T572-K574 VanDerWaalsContact O-N 3.11Å
573C57.9Low67.5Low45 Ų45121.9 Ų121.930%0.30461%0.609SS.*  trans-62.7108.9173.4168.40000111.9L571 R575 C576 I581L571-C573 PolarHBondContact O-N 3.24Å; C573-R575 PolarHBondContact O-N 2.84Å; C573-C576 HydrophobicContact CB-CB 3.58Å; C573-C576 WeakPolarHBondContact CB-SG 3.26Å; C573-C576 PolarHBondContact O-N 3.11Å; C573-C576 WeakPolarHBondContact SG-CB 3.35Å; C573-C576 PolarHBondContact SG-N 2.98Å; C573-C576 CovalentContact SG-SG 2.05Å; C573-C576 PolarHBondContact SG-SG 2.7Å; C573-I581 HydrophobicContact CB-CD1 3.7Å
574K62.9Low66.8Low217 Ų217124.7 Ų124.794%0.94362%0.618SS**THydrogen-bonded Turntrans-60.9-12.4180-66-174.6179.2-179.80115.9T572T572-K574 PolarHBondContact O-N 3.3Å; T572-K574 VanDerWaalsContact O-N 3.11Å
575R60.8Low66.3Low242 Ų242122.6 Ų122.691%0.91361%0.613SS**THydrogen-bonded Turntrans-103.3-16.2176.6-72.2-177.7174.6171-1.8113.7C573C573-R575 PolarHBondContact O-N 2.84Å
576C60.4Low66Low42 Ų42121.9 Ų121.928%0.28461%0.61SS.*PPolyproline II helixtrans-102.1127-171.7-44.80000108.8C573 Q580C573-C576 HydrophobicContact CB-CB 3.58Å; C573-C576 WeakPolarHBondContact CB-SG 3.26Å; C573-C576 PolarHBondContact O-N 3.11Å; C573-C576 WeakPolarHBondContact SG-CB 3.35Å; C573-C576 PolarHBondContact SG-N 2.98Å; C573-C576 CovalentContact SG-SG 2.05Å; C573-C576 PolarHBondContact SG-SG 2.7Å; C576-Q580 HydrophobicContact CB-CB 4.33Å
577K58.6Low65.6Low165 Ų165119.8 Ų119.872%0.71760%0.603SS**PPolyproline II helixtrans-66.1153.8161.5-62.5179.9178.2-179.70108.6G579 Q580K577-G579 PolarHBondContact O-N 2.73Å; K577-Q580 HydrophobicContact CB-CG 4.09Å; K577-Q580 WeakPolarHBondContact O-CB 3.35Å; K577-Q580 PolarHBondContact O-N 2.88Å
578K57.8Low64.9Low170 Ų170114.4 Ų114.474%0.73958%0.58SS**THydrogen-bonded Turntrans-51.9133.8173.4-77.6-155.2168.8-159.10109.8E570 Q580E570-K578 IonicContact OE1-NZ 2.7Å; E570-K578 PolarHBondContact OE1-NZ 2.74Å; E570-K578 WeakPolarHBondContact OE2-CE 3.13Å; E570-K578 IonicContact OE2-NZ 3.18Å; E570-K578 PolarHBondContact OE2-NZ 2.95Å; K578-Q580 VanDerWaalsContact C-N 3.34Å
579G58.9Low64.6Low48 Ų48112.2 Ų112.250%0.49557%0.567SS.*THydrogen-bonded Turntrans83.8-10.3-174.200000116.1K577 D582K577-G579 PolarHBondContact O-N 2.73Å; G579-D582 WeakPolarHBondContact CA-OD2 3.35Å
580Q63.3Low64.6Low101 Ų101109.6 Ų109.647%0.47255%0.551SS.*Hα-helixtrans-83.1-19.3175-69.1-169.2-63.600113.6C576 K577 K578 Y584C576-Q580 HydrophobicContact CB-CB 4.33Å; K577-Q580 HydrophobicContact CB-CG 4.09Å; K577-Q580 WeakPolarHBondContact O-CB 3.35Å; K577-Q580 PolarHBondContact O-N 2.88Å; K578-Q580 VanDerWaalsContact C-N 3.34Å; Q580-Y584 WeakPolarHBondContact O-CB 3.5Å; Q580-Y584 PolarHBondContact O-N 3.35Å
581I67.5Low64.6Low48 Ų48107.7 Ų107.725%0.24655%0.545CS..Hα-helixtrans-73.1-38.1179.7-139.7170.5000110.4L571 C573 Y584 F585L571-I581 HydrophobicContact CB-CD1 4.16Å; L571-I581 HydrophobicContact CD1-CD1 4.46Å; C573-I581 HydrophobicContact CB-CD1 3.7Å; I581-Y584 PolarHBondContact O-N 2.78Å; I581-F585 WeakPolarHBondContact O-CB 3.46Å; I581-F585 PolarHBondContact O-N 3.03Å
582D69.3Low64.5Low93 Ų93106.5 Ų106.550%0.49753%0.534SS..Hα-helixtrans-69.4-51.2-178.9-37.8-80.8000109.8G579 Y584 F585 D586G579-D582 WeakPolarHBondContact CA-OD2 3.35Å; D582-Y584 VanDerWaalsContact C-N 3.26Å; D582-Y584 PolarHBondContact O-N 3.34Å; D582-F585 CarbonylContact O-C 3.51Å; D582-F585 WeakPolarHBondContact O-CA 3.31Å; D582-F585 WeakPolarHBondContact O-CB 3.48Å; D582-F585 PolarHBondContact O-N 2.78Å; D582-D586 PolarHBondContact O-N 3.27Å
583A69.9Low64.7Low61 Ų61106.4 Ų106.450%0.50453%0.529SS..Hα-helixtrans-62.9-28.9174.100000113.6L587A583-L587 WeakPolarHBondContact O-CB 3.44Å; A583-L587 PolarHBondContact O-N 2.9Å; A583-L587 VanDerWaalsContact O-N 3.16Å
584Y69.6Low64.6Low163 Ų163111.9 Ų111.964%0.63955%0.55SS*.Hα-helixtrans-71.9-38.7169.8177.7-87.8000111.3Q580 I581 D582 L587 A588Q580-Y584 WeakPolarHBondContact O-CB 3.5Å; Q580-Y584 PolarHBondContact O-N 3.35Å; I581-Y584 PolarHBondContact O-N 2.78Å; D582-Y584 VanDerWaalsContact C-N 3.26Å; D582-Y584 PolarHBondContact O-N 3.34Å; Y584-L587 PolarHBondContact O-N 3.4Å; Y584-A588 HydrophobicContact CE1-CB 4.28Å; Y584-A588 WeakPolarHBondContact O-CB 3.36Å; Y584-A588 PolarHBondContact O-N 3.28Å
585F69.6Low64.1Low124 Ų124106.2 Ų106.254%0.54454%0.537SS..Hα-helixtrans-67.6-41.8177.3-135.9-82.8000111.4I581 D582 A588 K589I581-F585 WeakPolarHBondContact O-CB 3.46Å; I581-F585 PolarHBondContact O-N 3.03Å; D582-F585 CarbonylContact O-C 3.51Å; D582-F585 WeakPolarHBondContact O-CA 3.31Å; D582-F585 WeakPolarHBondContact O-CB 3.48Å; D582-F585 PolarHBondContact O-N 2.78Å; F585-A588 PolarHBondContact O-N 3.39Å; F585-K589 WeakPolarHBondContact O-CB 3.45Å; F585-K589 PolarHBondContact O-N 3.04Å
586D72.6Confident63.3Low107 Ų10799.3 Ų99.357%0.57253%0.526SS*.Hα-helixtrans-61.7-44.9173.7-71.8-32.9000111.8D582 K589 S590D582-D586 PolarHBondContact O-N 3.27Å; D586-K589 PolarHBondContact O-N 3.36Å; D586-S590 PolarHBondContact O-N 2.86Å; D586-S590 PolarHBondContact O-OG 2.85Å
587L72.3Confident62.2Low106 Ų106101.4 Ų101.456%0.55555%0.546SS*.Hα-helixtrans-66.3-43176.9-171.768.4000111.2A583 Y584 S590 L591A583-L587 WeakPolarHBondContact O-CB 3.44Å; A583-L587 PolarHBondContact O-N 2.9Å; A583-L587 VanDerWaalsContact O-N 3.16Å; Y584-L587 PolarHBondContact O-N 3.4Å; L587-S590 PolarHBondContact O-N 3.42Å; L587-S590 PolarHBondContact O-OG 3.45Å; L587-L591 HydrophobicContact CG-CD1 4.36Å; L587-L591 WeakPolarHBondContact O-CG 3.44Å; L587-L591 PolarHBondContact O-N 3.08Å
588A69.1Low61.7Low34 Ų3498.6 Ų98.628%0.28154%0.542SS..Hα-helixtrans-63.8-39.1175.300000111.7Y584 F585 L591 F592Y584-A588 HydrophobicContact CE1-CB 4.28Å; Y584-A588 WeakPolarHBondContact O-CB 3.36Å; Y584-A588 PolarHBondContact O-N 3.28Å; F585-A588 PolarHBondContact O-N 3.39Å; A588-L591 PolarHBondContact O-N 3.16Å; A588-F592 WeakPolarHBondContact O-CB 3.31Å; A588-F592 PolarHBondContact O-N 2.99Å
589K64.4Low61.2Low77 Ų7797.3 Ų97.334%0.33554%0.543SS..Hα-helixtrans-63.2-49.1175.1-168.5170.9-169.4170.80110.4F585 D586 L591 F592 D593 E605F585-K589 WeakPolarHBondContact O-CB 3.45Å; F585-K589 PolarHBondContact O-N 3.04Å; D586-K589 PolarHBondContact O-N 3.36Å; K589-L591 VanDerWaalsContact C-N 3.26Å; K589-L591 PolarHBondContact O-N 2.86Å; K589-F592 PolarHBondContact O-N 2.94Å; K589-F592 VanDerWaalsContact O-N 3.1Å; K589-D593 WeakPolarHBondContact O-CB 3.39Å; K589-D593 PolarHBondContact O-N 3.5Å; K589-E605 IonicContact NZ-OE1 3.71Å; K589-E605 PolarHBondContact NZ-OE1 3.43Å; K589-E605 IonicContact NZ-OE2 2.9Å; K589-E605 PolarHBondContact NZ-OE2 3.04Å
590S68.4Low60.5Low57 Ų57102 Ų10240%0.39955%0.552SS.*Hα-helixtrans-63.5-26.4175.874.70000114.6D586 L587 Q594D586-S590 PolarHBondContact O-N 2.86Å; D586-S590 PolarHBondContact O-OG 2.85Å; L587-S590 PolarHBondContact O-N 3.42Å; L587-S590 PolarHBondContact O-OG 3.45Å; S590-Q594 WeakPolarHBondContact O-CG 3.28Å
591L65.8Low59.9Low95 Ų95103.6 Ų103.650%0.49756%0.563SS.*Hα-helixtrans-81.1-38.8171.1-77.1164.9000112.3L587 A588 K589 Q594 C595L587-L591 HydrophobicContact CG-CD1 4.36Å; L587-L591 WeakPolarHBondContact O-CG 3.44Å; L587-L591 PolarHBondContact O-N 3.08Å; A588-L591 PolarHBondContact O-N 3.16Å; K589-L591 VanDerWaalsContact C-N 3.26Å; K589-L591 PolarHBondContact O-N 2.86Å; L591-Q594 WeakPolarHBondContact O-CB 3.42Å; L591-Q594 PolarHBondContact O-N 3.22Å; L591-C595 WeakPolarHBondContact O-CB 3.21Å; L591-C595 PolarHBondContact O-N 3.11Å; L591-C595 VanDerWaalsContact O-N 3.12Å; L591-C595 PolarHBondContact O-SG 2.97Å
592F59.9Low59.2Low118 Ų118105 Ų10552%0.51857%0.574SS.*Hα-helixtrans-71.8-40.1-178.1-166.9-94.7000111.7A588 K589 Q594 C595 S596A588-F592 WeakPolarHBondContact O-CB 3.31Å; A588-F592 PolarHBondContact O-N 2.99Å; K589-F592 PolarHBondContact O-N 2.94Å; K589-F592 VanDerWaalsContact O-N 3.1Å; F592-Q594 PolarHBondContact O-N 3Å; F592-C595 PolarHBondContact O-N 3.3Å; F592-S596 PolarHBondContact O-N 3.41Å
593D58.8Low58.5Low122 Ų122103 Ų10365%0.65257%0.57SS**Hα-helixtrans-60.9-24.9172.2-68.2-24.7000112K589K589-D593 WeakPolarHBondContact O-CB 3.39Å; K589-D593 PolarHBondContact O-N 3.5Å
594Q57.3Low57.9Low159 Ų159104.5 Ų104.574%0.74357%0.569SS**Hα-helixtrans-85-22.4171.1-69.6179.410.500113.8S590 L591 F592S590-Q594 WeakPolarHBondContact O-CG 3.28Å; L591-Q594 WeakPolarHBondContact O-CB 3.42Å; L591-Q594 PolarHBondContact O-N 3.22Å; F592-Q594 PolarHBondContact O-N 3Å
595C52.3Low57.2Low99 Ų99102.1 Ų102.167%0.66956%0.564SS**Hα-helixtrans-983.5-170.7-75.70000115.6L591 F592L591-C595 WeakPolarHBondContact O-CB 3.21Å; L591-C595 PolarHBondContact O-N 3.11Å; L591-C595 VanDerWaalsContact O-N 3.12Å; L591-C595 PolarHBondContact O-SG 2.97Å; F592-C595 PolarHBondContact O-N 3.3Å
596S42.5Very low56.6Low97 Ų97101.4 Ų101.468%0.67856%0.562SS**  trans74.1168.5172.9-158.90000116.1F592F592-S596 PolarHBondContact O-N 3.41Å
597A38.5Very low56.1Low86 Ų86101.1 Ų101.171%0.71156%0.558SS**  trans-49.9132.6-165.700000115.9
598V47Very low55.5Low106 Ų10698.5 Ų98.564%0.64255%0.551SS**  178.7116.1118.9147.80000111.9
599L47.4Very low55.1Low142 Ų142100.3 Ų100.374%0.74356%0.559SS**  trans59.1130151.5-60.5173.4000123.1
600H45.2Very low55Low148 Ų148100.7 Ų100.769%0.68556%0.564SS**  trans58.586.4147.7-87.6-78.6000118.2
601D49.8Very low54.5Low134 Ų13499 Ų9972%0.71755%0.553SS**SBend-138.47.699.1-128.8-14.7000114.9A603D601-A603 PolarHBondContact O-N 3.28Å
602T52.8Low54.2Low78 Ų78100.2 Ų100.248%0.47956%0.556SS.*THydrogen-bonded Turntrans-64.3-7.5-172.452.90000116.1L604 E605 Q606T602-L604 VanDerWaalsContact C-N 3.31Å; T602-L604 PolarHBondContact O-N 3.04Å; T602-L604 VanDerWaalsContact O-N 3.17Å; T602-E605 PolarHBondContact O-N 3.3Å; T602-Q606 WeakPolarHBondContact O-CB 3.43Å; T602-Q606 PolarHBondContact O-N 2.86Å
603A55.7Low54Low49 Ų4999 Ų9941%0.40555%0.552SS.*THydrogen-bonded Turntrans-61.9-29.7-166.300000115D601 Q607D601-A603 PolarHBondContact O-N 3.28Å; A603-Q607 WeakPolarHBondContact O-CB 3.18Å; A603-Q607 VanDerWaalsContact O-CD 3.24Å; A603-Q607 WeakPolarHBondContact O-CG 3.3Å; A603-Q607 PolarHBondContact O-N 2.92Å
604L56.4Low54Low94 Ų9498.2 Ų98.249%0.49254%0.544SS..THydrogen-bonded Turntrans-92.4-42.4179.2-81.7167.7000113.3L561 T602 Q607 A608L561-L604 HydrophobicContact CD2-CD2 4.24Å; T602-L604 VanDerWaalsContact C-N 3.31Å; T602-L604 PolarHBondContact O-N 3.04Å; T602-L604 VanDerWaalsContact O-N 3.17Å; L604-Q607 PolarHBondContact O-N 3.17Å; L604-A608 PolarHBondContact O-N 3.35Å
605E55Low53.8Low113 Ų11393.8 Ų93.853%0.52852%0.524SS..Hα-helixtrans-60.8-47.3172.1-76.1-167.2156.200110.6K589 T602 Q607 A608 T609K589-E605 IonicContact NZ-OE1 3.71Å; K589-E605 PolarHBondContact NZ-OE1 3.43Å; K589-E605 IonicContact NZ-OE2 2.9Å; K589-E605 PolarHBondContact NZ-OE2 3.04Å; T602-E605 PolarHBondContact O-N 3.3Å; E605-Q607 VanDerWaalsContact C-N 3.26Å; E605-Q607 PolarHBondContact O-N 3.21Å; E605-A608 CarbonylContact O-C 3.56Å; E605-A608 WeakPolarHBondContact O-CA 2.8Å; E605-A608 WeakPolarHBondContact O-CB 3.39Å; E605-A608 PolarHBondContact O-N 3.14Å; E605-T609 PolarHBondContact O-N 3.11Å; E605-T609 PolarHBondContact O-OG1 3.19Å; E605-T609 VanDerWaalsContact O-OG1 3.06Å
606Q57.4Low53.9Low109 Ų10994.9 Ų94.951%0.50952%0.523SS..Hα-helixtrans-71.6-22.4-179.2-157.7161.122.200112.1T602 N610T602-Q606 WeakPolarHBondContact O-CB 3.43Å; T602-Q606 PolarHBondContact O-N 2.86Å; Q606-N610 WeakPolarHBondContact O-CB 3.33Å; Q606-N610 PolarHBondContact O-N 2.91Å; Q606-N610 PolarHBondContact O-ND2 3.19Å; Q606-N610 PolarHBondContact O-OD1 3.4Å
607Q61.1Low54.4Low101 Ų10199.2 Ų99.247%0.47253%0.525SS..Hα-helixtrans-67.5-42162.9-85.3171.915.100111.7A603 L604 E605 N610 C611A603-Q607 WeakPolarHBondContact O-CB 3.18Å; A603-Q607 VanDerWaalsContact O-CD 3.24Å; A603-Q607 WeakPolarHBondContact O-CG 3.3Å; A603-Q607 PolarHBondContact O-N 2.92Å; L604-Q607 PolarHBondContact O-N 3.17Å; E605-Q607 VanDerWaalsContact C-N 3.26Å; E605-Q607 PolarHBondContact O-N 3.21Å; Q607-N610 PolarHBondContact O-N 3.47Å; Q607-C611 WeakPolarHBondContact O-CB 3.47Å; Q607-C611 PolarHBondContact O-N 3.3Å; Q607-C611 PolarHBondContact O-SG 3.04Å
608A60.9Low55.2Low51 Ų5197 Ų9742%0.42150%0.5SS..Hα-helixtrans-64.6-45.6175.700000112.2L604 E605 C611 E612L604-A608 PolarHBondContact O-N 3.35Å; E605-A608 CarbonylContact O-C 3.56Å; E605-A608 WeakPolarHBondContact O-CA 2.8Å; E605-A608 WeakPolarHBondContact O-CB 3.39Å; E605-A608 PolarHBondContact O-N 3.14Å; A608-C611 CarbonylContact O-C 3.59Å; A608-C611 WeakPolarHBondContact O-CA 3.4Å; A608-C611 WeakPolarHBondContact O-CB 3.4Å; A608-C611 PolarHBondContact O-N 2.79Å; A608-C611 VanDerWaalsContact O-N 3.13Å; A608-E612 PolarHBondContact O-N 3.4Å
609T60.2Low55.7Low72 Ų7298.1 Ų98.144%0.44250%0.498SS..Hα-helixtrans-66.4-38.8176.2-37.20000111.9E605 C611 E612 E613E605-T609 PolarHBondContact O-N 3.11Å; E605-T609 PolarHBondContact O-OG1 3.19Å; E605-T609 VanDerWaalsContact O-OG1 3.06Å; T609-C611 VanDerWaalsContact C-N 3.31Å; T609-C611 PolarHBondContact O-N 2.87Å; T609-E612 PolarHBondContact O-N 3.48Å; T609-E613 PolarHBondContact O-N 3.26Å
610N63.5Low56.7Low84 Ų8494.6 Ų94.645%0.44948%0.479SS..Hα-helixtrans-64.4-35.6171.6-71.7-7.4000111.6Q606 Q607 E613 E614Q606-N610 WeakPolarHBondContact O-CB 3.33Å; Q606-N610 PolarHBondContact O-N 2.91Å; Q606-N610 PolarHBondContact O-ND2 3.19Å; Q606-N610 PolarHBondContact O-OD1 3.4Å; Q607-N610 PolarHBondContact O-N 3.47Å; N610-E613 PolarHBondContact O-N 3Å; N610-E614 WeakPolarHBondContact O-CB 3.34Å; N610-E614 WeakPolarHBondContact O-CG 3.37Å; N610-E614 PolarHBondContact O-N 3.18Å
611C57Low58.3Low23 Ų2394.5 Ų94.516%0.15547%0.473CS..Hα-helixtrans-65.9-39.1172.7-70.10000111.7L554 Q607 A608 T609 E614 M615L554-C611 HydrophobicContact CD1-CB 4.13Å; Q607-C611 WeakPolarHBondContact O-CB 3.47Å; Q607-C611 PolarHBondContact O-N 3.3Å; Q607-C611 PolarHBondContact O-SG 3.04Å; A608-C611 CarbonylContact O-C 3.59Å; A608-C611 WeakPolarHBondContact O-CA 3.4Å; A608-C611 WeakPolarHBondContact O-CB 3.4Å; A608-C611 PolarHBondContact O-N 2.79Å; A608-C611 VanDerWaalsContact O-N 3.13Å; T609-C611 VanDerWaalsContact C-N 3.31Å; T609-C611 PolarHBondContact O-N 2.87Å; C611-E614 CarbonylContact O-C 3.57Å; C611-E614 PolarHBondContact O-N 3.44Å; C611-M615 WeakPolarHBondContact O-CB 3.34Å; C611-M615 VanDerWaalsContact O-CG 3.27Å; C611-M615 WeakPolarHBondContact O-CG 3.05Å; C611-M615 PolarHBondContact O-N 3.26Å
612E58.8Low59.9Low119 Ų11988.8 Ų88.856%0.55644%0.442SS*.Hα-helixtrans-69.7-38.3175-71.7-175.9162.500112.2A608 T609 M615 N616A608-E612 PolarHBondContact O-N 3.4Å; T609-E612 PolarHBondContact O-N 3.48Å; E612-M615 PolarHBondContact O-N 3.13Å; E612-N616 PolarHBondContact O-N 3.43Å; E612-N616 PolarHBondContact O-ND2 3.49Å
613E56.3Low61.3Low93 Ų9387.3 Ų87.344%0.43543%0.431SS..Hα-helixtrans-62.1-41.2167.8-83.8-158.7-154.700112T609 N610 N616 R617T609-E613 PolarHBondContact O-N 3.26Å; N610-E613 PolarHBondContact O-N 3Å; E613-N616 PolarHBondContact O-N 3.04Å; E613-R617 WeakPolarHBondContact O-CB 3.38Å; E613-R617 WeakPolarHBondContact O-CG 3.32Å; E613-R617 PolarHBondContact O-N 2.92Å; E613-R617 IonicContact OE2-CZ 1.79Å; E613-R617 IonicContact OE2-NE 2.61Å; E613-R617 IonicContact OE2-NH2 2.89Å; E613-R617 PolarHBondContact OE2-NH2 3.09Å
614E58.6Low62.7Low105 Ų10588 Ų8849%0.49143%0.432SS..Hα-helixtrans-68-33.8174.9-79.1-168.3177.900112.5N610 C611 R617 Q618N610-E614 WeakPolarHBondContact O-CB 3.34Å; N610-E614 WeakPolarHBondContact O-CG 3.37Å; N610-E614 PolarHBondContact O-N 3.18Å; C611-E614 CarbonylContact O-C 3.57Å; C611-E614 PolarHBondContact O-N 3.44Å; E614-R617 CarbonylContact O-C 3.57Å; E614-R617 PolarHBondContact O-N 3.38Å; E614-Q618 WeakPolarHBondContact O-CB 3.48Å; E614-Q618 WeakPolarHBondContact O-CG 3.38Å; E614-Q618 PolarHBondContact O-N 2.91Å; E614-Q618 PolarHBondContact O-NE2 3.41Å
615M53.8Low64.2Low67 Ų6786.5 Ų86.533%0.3342%0.422SS..Hα-helixtrans-64.6-42.1170.7-75.7173.162.500111.4L554 M558 C611 E612 Q618L554-M615 HydrophobicContact CD2-CG 3.59Å; L554-M615 HydrophobicContact CD2-SD 4.48Å; M558-M615 HydrophobicContact CE-SD 4.11Å; M558-M615 HydrophobicContact SD-SD 3.95Å; C611-M615 WeakPolarHBondContact O-CB 3.34Å; C611-M615 VanDerWaalsContact O-CG 3.27Å; C611-M615 WeakPolarHBondContact O-CG 3.05Å; C611-M615 PolarHBondContact O-N 3.26Å; E612-M615 PolarHBondContact O-N 3.13Å; M615-Q618 WeakPolarHBondContact O-CA 3.35Å; M615-Q618 WeakPolarHBondContact O-CB 3.41Å; M615-Q618 PolarHBondContact O-N 3.47Å
616N53.1Low65.9Low121 Ų12181.6 Ų81.665%0.64740%0.399SS*.Hα-helixtrans-68-34.8174.1-70.3-36.3000111.9E612 E613 Q618 E619E612-N616 PolarHBondContact O-N 3.43Å; E612-N616 PolarHBondContact O-ND2 3.49Å; E613-N616 PolarHBondContact O-N 3.04Å; N616-Q618 PolarHBondContact O-N 2.83Å; N616-E619 WeakPolarHBondContact O-CG 3.09Å; N616-E619 PolarHBondContact O-N 3.23Å
617R54Low67.5Low188 Ų18880.5 Ų80.571%0.70939%0.394SS*.THydrogen-bonded Turntrans-71-8.6169.7-67168.7-163.3-1429.2113.5E613 E614E613-R617 WeakPolarHBondContact O-CB 3.38Å; E613-R617 WeakPolarHBondContact O-CG 3.32Å; E613-R617 PolarHBondContact O-N 2.92Å; E613-R617 IonicContact OE2-CZ 1.79Å; E613-R617 IonicContact OE2-NE 2.61Å; E613-R617 IonicContact OE2-NH2 2.89Å; E613-R617 PolarHBondContact OE2-NH2 3.09Å; E614-R617 CarbonylContact O-C 3.57Å; E614-R617 PolarHBondContact O-N 3.38Å
618Q54.9Low68.9Low40 Ų4079.7 Ų79.719%0.18739%0.393CS..THydrogen-bonded Turntrans-94.613171.4-72.2164.43700112.7Y551 E614 M615 N616 L620Y551-Q618 VanDerWaalsContact CB-OE1 3.28Å; E614-Q618 WeakPolarHBondContact O-CB 3.48Å; E614-Q618 WeakPolarHBondContact O-CG 3.38Å; E614-Q618 PolarHBondContact O-N 2.91Å; E614-Q618 PolarHBondContact O-NE2 3.41Å; M615-Q618 WeakPolarHBondContact O-CA 3.35Å; M615-Q618 WeakPolarHBondContact O-CB 3.41Å; M615-Q618 PolarHBondContact O-N 3.47Å; N616-Q618 PolarHBondContact O-N 2.83Å; Q618-L620 PolarHBondContact O-N 3.01Å
619E58.5Low70.4Confident130 Ų13079.6 Ų79.661%0.60738%0.382SS*.SBendtrans-46.4138.9157.5-86.1-165.3167.600110.6N616 R621N616-E619 WeakPolarHBondContact O-CG 3.09Å; N616-E619 PolarHBondContact O-N 3.23Å; E619-R621 PolarHBondContact O-N 2.85Å
620L68.6Low71.9Confident67 Ų6777.2 Ų77.235%0.35137%0.366SS..  trans-53.4117.4-179.8-66.7165.7000109.5I538 E544 Q618 L622 L623I538-L620 HydrophobicContact CG2-CB 4.4Å; I538-L620 HydrophobicContact CG2-CD1 4.27Å; E544-L620 HydrophobicContact CB-CD2 4.1Å; E544-L620 HydrophobicContact CG-CD2 3.73Å; Q618-L620 PolarHBondContact O-N 3.01Å; L620-L622 PolarHBondContact O-N 3.09Å; L620-L623 HydrophobicContact CB-CB 4Å; L620-L623 WeakPolarHBondContact O-CB 3.31Å; L620-L623 PolarHBondContact O-N 3.04Å
621R77.9Confident73.3Confident147 Ų14780.4 Ų80.456%0.55537%0.372SS*.THydrogen-bonded Turntrans-55-29.9-175-63.2174.6175.1-173.6-3.3112.9V543 E544 E619V543-R621 HydrophobicContact CG1-CB 4.38Å; E544-R621 VanDerWaalsContact CD-N 3.28Å; E544-R621 WeakPolarHBondContact OE1-CA 3.45Å; E544-R621 PolarHBondContact OE1-N 3.3Å; E544-R621 PolarHBondContact OE2-N 2.69Å; E619-R621 PolarHBondContact O-N 2.85Å
622L83.5Confident74.9Confident13 Ų1381.4 Ų81.47%0.06838%0.377CS..THydrogen-bonded Turntrans-87.6-8.2179-62.2170.7000114.1F516 L518 I538 V543 E544 L620 E625 Y626F516-L622 HydrophobicContact CD1-CD1 3.6Å; F516-L622 HydrophobicContact CE1-CD1 3.77Å; L518-L622 HydrophobicContact CD1-CB 4.43Å; I538-L622 HydrophobicContact CG1-CB 4.49Å; I538-L622 HydrophobicContact CG2-CB 3.95Å; I538-L622 HydrophobicContact CG2-CD1 4.34Å; V543-L622 HydrophobicContact CB-CD1 4.08Å; V543-L622 HydrophobicContact CG1-CD1 4.32Å; V543-L622 HydrophobicContact CG1-CG 4.23Å; V543-L622 HydrophobicContact CG2-CD1 4.17Å; E544-L622 PolarHBondContact OE1-N 2.57Å; L620-L622 PolarHBondContact O-N 3.09Å; L622-E625 PolarHBondContact O-N 3.09Å; L622-Y626 WeakPolarHBondContact O-CB 3.39Å; L622-Y626 PolarHBondContact O-N 2.92Å
623L82.7Confident76.4Confident47 Ų4775.8 Ų75.825%0.24635%0.35CS..Hα-helixtrans-64.8-42.7-177.4179.863000113.5L620 E625 Y626 Q627L620-L623 HydrophobicContact CB-CB 4Å; L620-L623 WeakPolarHBondContact O-CB 3.31Å; L620-L623 PolarHBondContact O-N 3.04Å; L623-E625 VanDerWaalsContact C-N 3.31Å; L623-E625 PolarHBondContact O-N 3.33Å; L623-Y626 HydrophobicContact CD1-CD1 4.16Å; L623-Y626 WeakPolarHBondContact O-CB 3.16Å; L623-Y626 PolarHBondContact O-N 3.38Å; L623-Q627 HydrophobicContact CD1-CG 4.19Å; L623-Q627 WeakPolarHBondContact O-CG 3.25Å; L623-Q627 PolarHBondContact O-N 3.3Å
624P85.5Confident78.1Confident64 Ų6474.9 Ų74.942%0.41634%0.343SS..Hα-helixtrans-64-35.7174.8-2335000112.6N628P624-N628 WeakPolarHBondContact O-CB 3.38Å; P624-N628 PolarHBondContact O-N 3.26Å; P624-N628 VanDerWaalsContact O-N 3.16Å; P624-N628 PolarHBondContact O-ND2 3.32Å
625E88.2Confident79.5Confident63 Ų6376 Ų7629%0.29435%0.348SS..Hα-helixtrans-66.9-44.5174.1-165.7-166.715700110.7L518 L622 L623 N628 R629L518-E625 HydrophobicContact CD1-CB 4.22Å; L518-E625 HydrophobicContact CD1-CG 4.37Å; L622-E625 PolarHBondContact O-N 3.09Å; L623-E625 VanDerWaalsContact C-N 3.31Å; L623-E625 PolarHBondContact O-N 3.33Å; E625-N628 PolarHBondContact O-N 3.35Å; E625-R629 WeakPolarHBondContact O-CG 3.4Å; E625-R629 PolarHBondContact O-N 3.5Å; E625-R629 IonicContact OE1-CZ 2.64Å; E625-R629 IonicContact OE1-NE 2.84Å; E625-R629 PolarHBondContact OE1-NE 2.81Å; E625-R629 IonicContact OE1-NH2 2.74Å; E625-R629 PolarHBondContact OE1-NH2 2.63Å
626Y90.1Very high81Confident9 Ų976.1 Ų76.14%0.03535%0.347CS..Hα-helixtrans-58.2-53.1177.1178.5-132.3000111.7L518 L523 F527 P534 E535 I538 L622 L623 N628 R629 L630L518-Y626 HydrophobicContact CD1-CD2 4.47Å; L518-Y626 HydrophobicContact CD1-CG 4.49Å; L523-Y626 HydrophobicContact CD1-CD2 4.23Å; L523-Y626 HydrophobicContact CD1-CE2 4.45Å; L523-Y626 HydrophobicContact CD2-CD2 3.94Å; L523-Y626 HydrophobicContact CD2-CE2 3.81Å; F527-Y626 HydrophobicContact CZ-CE2 4.34Å; F527-Y626 WeakPolarHBondContact CZ-OH 3.1Å; P534-Y626 HydrophobicContact CB-CE2 3.65Å; P534-Y626 HydrophobicContact CG-CE2 4.27Å; E535-Y626 HydrophobicContact CG-CE1 4.24Å; E535-Y626 WeakPolarHBondContact OE1-CE1 3.44Å; E535-Y626 PolarHBondContact OE1-OH 2.76Å; I538-Y626 HydrophobicContact CD1-CD1 4.01Å; I538-Y626 HydrophobicContact CD1-CD2 4.11Å; I538-Y626 HydrophobicContact CD1-CG 3.71Å; L622-Y626 WeakPolarHBondContact O-CB 3.39Å; L622-Y626 PolarHBondContact O-N 2.92Å; L623-Y626 HydrophobicContact CD1-CD1 4.16Å; L623-Y626 WeakPolarHBondContact O-CB 3.16Å; L623-Y626 PolarHBondContact O-N 3.38Å; Y626-N628 VanDerWaalsContact C-N 3.31Å; Y626-N628 PolarHBondContact O-N 3.42Å; Y626-R629 PolarHBondContact O-N 3.43Å; Y626-R629 VanDerWaalsContact O-N 3.07Å; Y626-L630 HydrophobicContact CD1-CD1 4.47Å; Y626-L630 HydrophobicContact CD2-CD2 4.33Å; Y626-L630 HydrophobicContact CD2-CG 4.21Å; Y626-L630 HydrophobicContact CE1-CD1 3.99Å; Y626-L630 HydrophobicContact CE2-CD1 4.09Å; Y626-L630 HydrophobicContact CE2-CD2 3.66Å; Y626-L630 HydrophobicContact CE2-CG 3.89Å; Y626-L630 WeakPolarHBondContact O-CG 3.24Å; Y626-L630 PolarHBondContact O-N 3.04Å
627Q90.5Very high82.7Confident87 Ų8776.8 Ų76.841%0.40734%0.344SS..Hα-helixtrans-57.2-43178.4-70.1-179.715.900112.2L623 R629 L630 R631L623-Q627 HydrophobicContact CD1-CG 4.19Å; L623-Q627 WeakPolarHBondContact O-CG 3.25Å; L623-Q627 PolarHBondContact O-N 3.3Å; Q627-R629 PolarHBondContact O-N 2.99Å; Q627-L630 PolarHBondContact O-N 2.81Å; Q627-R631 WeakPolarHBondContact O-CG 3.48Å; Q627-R631 PolarHBondContact O-N 2.96Å
628N91.3Very high84.4Confident83 Ų8367.9 Ų67.944%0.44431%0.311SS..Hα-helixtrans-65.2-37.7176.5-77-40000112.5P624 E625 Y626 R631 V632P624-N628 WeakPolarHBondContact O-CB 3.38Å; P624-N628 PolarHBondContact O-N 3.26Å; P624-N628 VanDerWaalsContact O-N 3.16Å; P624-N628 PolarHBondContact O-ND2 3.32Å; E625-N628 PolarHBondContact O-N 3.35Å; Y626-N628 VanDerWaalsContact C-N 3.31Å; Y626-N628 PolarHBondContact O-N 3.42Å; N628-R631 WeakPolarHBondContact O-CB 3.41Å; N628-R631 PolarHBondContact O-N 3.28Å; N628-R631 PolarHBondContact OD1-NH1 3.28Å; N628-V632 WeakPolarHBondContact O-CG2 3.35Å; N628-V632 PolarHBondContact O-N 2.95Å
629R92Very high86.1Confident50 Ų5066.1 Ų66.119%0.18930%0.302CS..Hα-helixtrans-67.3-35.1173.5-70.1177.4-178.1-74.91.3112.6L518 Y520 L523 E625 Y626 Q627 V632 L633L518-R629 PolarHBondContact O-NE 3.5Å; L518-R629 VanDerWaalsContact O-NE 3.12Å; L518-R629 PolarHBondContact O-NH1 2.87Å; L518-R629 PolarHBondContact O-NH2 3.23Å; Y520-R629 HydrophobicContact CD1-CB 4.36Å; Y520-R629 HydrophobicContact CD1-CG 4.46Å; Y520-R629 HydrophobicContact CE1-CB 3.76Å; Y520-R629 HydrophobicContact CE1-CG 3.72Å; L523-R629 HydrophobicContact CD1-CB 3.71Å; L523-R629 HydrophobicContact CD1-CG 4.49Å; E625-R629 WeakPolarHBondContact O-CG 3.4Å; E625-R629 PolarHBondContact O-N 3.5Å; E625-R629 IonicContact OE1-CZ 2.64Å; E625-R629 IonicContact OE1-NE 2.84Å; E625-R629 PolarHBondContact OE1-NE 2.81Å; E625-R629 IonicContact OE1-NH2 2.74Å; E625-R629 PolarHBondContact OE1-NH2 2.63Å; Y626-R629 PolarHBondContact O-N 3.43Å; Y626-R629 VanDerWaalsContact O-N 3.07Å; Q627-R629 PolarHBondContact O-N 2.99Å; R629-V632 PolarHBondContact O-N 2.98Å; R629-L633 WeakPolarHBondContact O-CG 3.43Å; R629-L633 PolarHBondContact O-N 2.76Å
630L91.6Very high87.6Confident21 Ų2162.5 Ų62.511%0.1129%0.287CS..Hα-helixtrans-63.4-43.9172.2-64.3-174.2000112.1F527 Y626 Q627 V632 L633 R634 I639F527-L630 HydrophobicContact CE2-CD2 3.61Å; F527-L630 HydrophobicContact CZ-CD2 3.58Å; Y626-L630 HydrophobicContact CD1-CD1 4.47Å; Y626-L630 HydrophobicContact CD2-CD2 4.33Å; Y626-L630 HydrophobicContact CD2-CG 4.21Å; Y626-L630 HydrophobicContact CE1-CD1 3.99Å; Y626-L630 HydrophobicContact CE2-CD1 4.09Å; Y626-L630 HydrophobicContact CE2-CD2 3.66Å; Y626-L630 HydrophobicContact CE2-CG 3.89Å; Y626-L630 WeakPolarHBondContact O-CG 3.24Å; Y626-L630 PolarHBondContact O-N 3.04Å; Q627-L630 PolarHBondContact O-N 2.81Å; L630-V632 VanDerWaalsContact C-N 3.29Å; L630-V632 PolarHBondContact O-N 3.36Å; L630-L633 PolarHBondContact O-N 2.82Å; L630-R634 WeakPolarHBondContact O-CB 3.31Å; L630-R634 WeakPolarHBondContact O-CG 3.48Å; L630-R634 PolarHBondContact O-N 3.36Å; L630-I639 HydrophobicContact CD2-CD1 4.03Å
631R91.7Very high88.7Confident152 Ų15265.4 Ų65.457%0.57430%0.299SS*.Hα-helixtrans-55-45.3174.8-69.1169-179.3156-1.8111.1Q627 N628 H635Q627-R631 WeakPolarHBondContact O-CG 3.48Å; Q627-R631 PolarHBondContact O-N 2.96Å; N628-R631 WeakPolarHBondContact O-CB 3.41Å; N628-R631 PolarHBondContact O-N 3.28Å; N628-R631 PolarHBondContact OD1-NH1 3.28Å; R631-H635 VanDerWaalsContact O-CB 3.25Å; R631-H635 WeakPolarHBondContact O-CB 3.36Å; R631-H635 PolarHBondContact O-N 2.85Å
632V90.9Very high89.2Confident44 Ų4462.8 Ų62.827%0.26730%0.303SS..Hα-helixtrans-63.6-47.2176.1173.10000112.1Y520 N628 R629 L630 R634 H635 F636 L660Y520-V632 HydrophobicContact CE1-CB 4.14Å; Y520-V632 HydrophobicContact CE1-CG1 3.96Å; N628-V632 WeakPolarHBondContact O-CG2 3.35Å; N628-V632 PolarHBondContact O-N 2.95Å; R629-V632 PolarHBondContact O-N 2.98Å; L630-V632 VanDerWaalsContact C-N 3.29Å; L630-V632 PolarHBondContact O-N 3.36Å; V632-R634 VanDerWaalsContact C-N 3.33Å; V632-R634 PolarHBondContact O-N 3.29Å; V632-H635 PolarHBondContact O-N 3.29Å; V632-F636 HydrophobicContact CG1-CD2 3.89Å; V632-F636 HydrophobicContact CG1-CE2 4.03Å; V632-F636 WeakPolarHBondContact O-CD2 3.44Å; V632-F636 PolarHBondContact O-N 3.25Å; V632-F636 VanDerWaalsContact O-N 3.16Å; V632-L660 HydrophobicContact CG1-CD1 3.84Å
633L90.6Very high89.3Confident0 Ų063.3 Ų63.30%031%0.307CS..Hα-helixtrans-65.2-34.2-179.2-70.6176.6000113Y520 L523 L524 R629 L630 K637 Y638 I639 L660Y520-L633 HydrophobicContact CD1-CD1 4.33Å; Y520-L633 HydrophobicContact CD1-CD2 3.82Å; Y520-L633 HydrophobicContact CD1-CG 3.94Å; Y520-L633 HydrophobicContact CE1-CG 4.39Å; L523-L633 HydrophobicContact CB-CD1 4.16Å; L523-L633 HydrophobicContact CD1-CD1 4.38Å; L524-L633 HydrophobicContact CD1-CD2 4.19Å; L524-L633 HydrophobicContact CD2-CD1 4.34Å; L524-L633 HydrophobicContact CD2-CD2 4.13Å; L524-L633 HydrophobicContact CG-CD1 4.41Å; L524-L633 HydrophobicContact CG-CD2 4.14Å; R629-L633 WeakPolarHBondContact O-CG 3.43Å; R629-L633 PolarHBondContact O-N 2.76Å; L630-L633 PolarHBondContact O-N 2.82Å; L633-K637 PolarHBondContact O-N 3.16Å; L633-Y638 HydrophobicContact CD2-CD2 4.06Å; L633-Y638 HydrophobicContact CD2-CG 4.22Å; L633-Y638 PolarHBondContact O-N 3.42Å; L633-I639 HydrophobicContact CB-CD1 3.76Å; L633-I639 HydrophobicContact CB-CG1 3.84Å; L633-I639 HydrophobicContact CD1-CD1 4.36Å; L633-I639 PolarHBondContact O-N 3.37Å; L633-L660 HydrophobicContact CD2-CD2 3.99Å
634R91.3Very high89.7Confident75 Ų7565.9 Ų65.928%0.28332%0.321SS..Hα-helixtrans-73.1-45.9173.9-71.2173.1179.8177.910.4112.2L630 V632 F636 K637 I639 E641 C643L630-R634 WeakPolarHBondContact O-CB 3.31Å; L630-R634 WeakPolarHBondContact O-CG 3.48Å; L630-R634 PolarHBondContact O-N 3.36Å; V632-R634 VanDerWaalsContact C-N 3.33Å; V632-R634 PolarHBondContact O-N 3.29Å; R634-F636 VanDerWaalsContact C-N 3.32Å; R634-F636 PolarHBondContact O-N 2.95Å; R634-K637 WeakPolarHBondContact O-CA 3.33Å; R634-K637 PolarHBondContact O-N 2.68Å; R634-I639 HydrophobicContact CG-CD1 4.05Å; R634-I639 HydrophobicContact CG-CG1 3.69Å; R634-E641 WeakPolarHBondContact CD-OE1 3.19Å; R634-E641 VanDerWaalsContact CD-OE2 3.31Å; R634-E641 WeakPolarHBondContact CD-OE2 3.46Å; R634-E641 IonicContact CZ-OE2 3.14Å; R634-E641 VanDerWaalsContact CZ-OE2 3.28Å; R634-E641 IonicContact NE-OE2 3.34Å; R634-E641 PolarHBondContact NE-OE2 3.23Å; R634-E641 IonicContact NH1-OE2 2.74Å; R634-E641 PolarHBondContact NH1-OE2 3.42Å; R634-E641 PolarHBondContact NH2-O 2.88Å; R634-C643 PolarHBondContact NH2-SG 3.48Å; R634-C643 VanDerWaalsContact NH2-SG 3.38Å
635H88.7Confident89.9Confident128 Ų12863.3 Ų63.359%0.59330%0.304SS*.Hα-helixtrans-54.8-46178.7178.981.1000112.3R631 V632 K637R631-H635 VanDerWaalsContact O-CB 3.25Å; R631-H635 WeakPolarHBondContact O-CB 3.36Å; R631-H635 PolarHBondContact O-N 2.85Å; V632-H635 PolarHBondContact O-N 3.29Å; H635-K637 VanDerWaalsContact C-N 3.28Å; H635-K637 PolarHBondContact O-N 3.46Å
636F86.4Confident90Very high69 Ų6963.7 Ų63.730%0.30331%0.306SS..THydrogen-bonded Turntrans-84.88.8175.8-67.4-65000114.4V632 R634 Y638 Q664V632-F636 HydrophobicContact CG1-CD2 3.89Å; V632-F636 HydrophobicContact CG1-CE2 4.03Å; V632-F636 WeakPolarHBondContact O-CD2 3.44Å; V632-F636 PolarHBondContact O-N 3.25Å; V632-F636 VanDerWaalsContact O-N 3.16Å; R634-F636 VanDerWaalsContact C-N 3.32Å; R634-F636 PolarHBondContact O-N 2.95Å; F636-Y638 HydrophobicContact CB-CD2 3.45Å; F636-Y638 VanDerWaalsContact CB-CD2 3.45Å; F636-Y638 HydrophobicContact CB-CE2 3.27Å; F636-Y638 HydrophobicContact CD2-CE2 4.29Å; F636-Y638 HydrophobicContact CG-CE2 4Å; F636-Y638 PolarHBondContact O-N 3.37Å; F636-Q664 PolarHBondContact O-NE2 2.89Å
637K87.4Confident89.8Confident135 Ų13567.9 Ų67.959%0.58733%0.328SS*.THydrogen-bonded Turntrans55.930.1178.3-48.6178.8-1761740114.6L633 R634 H635 I639 Q646L633-K637 PolarHBondContact O-N 3.16Å; R634-K637 WeakPolarHBondContact O-CA 3.33Å; R634-K637 PolarHBondContact O-N 2.68Å; H635-K637 VanDerWaalsContact C-N 3.28Å; H635-K637 PolarHBondContact O-N 3.46Å; K637-I639 VanDerWaalsContact C-N 3.35Å; K637-Q646 WeakPolarHBondContact O-CB 3.4Å
638Y89.4Confident89.5Confident2 Ų265.5 Ų65.51%0.00832%0.32CS..SBendtrans-71.9-32.8169.6-66.2-76.2000111.2L633 F636 Q646 P648 G649 A652 L660 F662L633-Y638 HydrophobicContact CD2-CD2 4.06Å; L633-Y638 HydrophobicContact CD2-CG 4.22Å; L633-Y638 PolarHBondContact O-N 3.42Å; F636-Y638 HydrophobicContact CB-CD2 3.45Å; F636-Y638 VanDerWaalsContact CB-CD2 3.45Å; F636-Y638 HydrophobicContact CB-CE2 3.27Å; F636-Y638 HydrophobicContact CD2-CE2 4.29Å; F636-Y638 HydrophobicContact CG-CE2 4Å; F636-Y638 PolarHBondContact O-N 3.37Å; Y638-Q646 PolarHBondContact O-N 2.97Å; Y638-P648 VanDerWaalsContact CD1-C 3.5Å; Y638-P648 HydrophobicContact CD1-CB 3.78Å; Y638-P648 WeakPolarHBondContact CD1-O 3.45Å; Y638-P648 HydrophobicContact CE1-CB 4.01Å; Y638-G649 WeakPolarHBondContact O-CA 3.43Å; Y638-A652 HydrophobicContact CD1-CB 3.85Å; Y638-A652 HydrophobicContact CE1-CB 3.77Å; Y638-L660 HydrophobicContact CD2-CD2 3.94Å; Y638-L660 HydrophobicContact CE2-CD2 3.55Å; Y638-L660 PolarHBondContact OH-O 3.31Å; Y638-F662 PolarHBondContact OH-O 2.89Å
639I91.4Very high89.3Confident3 Ų361.6 Ų61.62%0.01530%0.299CS..BIsolated β-bridgetrans-127.9159169.569-175.8000109.8L524 F527 L630 L633 R634 K637 C643 I644 V645L524-I639 HydrophobicContact CD2-CG2 3.78Å; F527-I639 HydrophobicContact CD2-CG2 4.32Å; F527-I639 HydrophobicContact CE2-CD1 4.15Å; L630-I639 HydrophobicContact CD2-CD1 4.03Å; L633-I639 HydrophobicContact CB-CD1 3.76Å; L633-I639 HydrophobicContact CB-CG1 3.84Å; L633-I639 HydrophobicContact CD1-CD1 4.36Å; L633-I639 PolarHBondContact O-N 3.37Å; R634-I639 HydrophobicContact CG-CD1 4.05Å; R634-I639 HydrophobicContact CG-CG1 3.69Å; K637-I639 VanDerWaalsContact C-N 3.35Å; I639-C643 HydrophobicContact CD1-CB 4.45Å; I639-I644 WeakPolarHBondContact CA-O 3.4Å; I639-V645 HydrophobicContact CG2-CG2 4.43Å
640N91Very high89Confident54 Ų5463.9 Ų63.929%0.28931%0.31SS..  trans-89.4-178.4167.473.9-2.3000111.6S642 C643 I644N640-S642 VanDerWaalsContact C-N 3.28Å; N640-S642 PolarHBondContact O-N 2.87Å; N640-S642 WeakPolarHBondContact OD1-CA 3.32Å; N640-S642 PolarHBondContact OD1-N 2.86Å; N640-C643 WeakPolarHBondContact O-CA 3.5Å; N640-C643 PolarHBondContact O-N 3.44Å; N640-C643 PolarHBondContact OD1-N 2.89Å; N640-I644 PolarHBondContact N-O 3.2Å; N640-I644 VanDerWaalsContact N-O 3.09Å; N640-I644 WeakPolarHBondContact OD1-CB 3.27Å; N640-I644 PolarHBondContact OD1-N 2.91Å
641E90.2Very high88.7Confident127 Ų12763 Ų6359%0.59331%0.306SS*.THydrogen-bonded Turntrans-59.8-37.7178.2-66.3-51.213100112.8R634 C643R634-E641 WeakPolarHBondContact CD-OE1 3.19Å; R634-E641 VanDerWaalsContact CD-OE2 3.31Å; R634-E641 WeakPolarHBondContact CD-OE2 3.46Å; R634-E641 IonicContact CZ-OE2 3.14Å; R634-E641 VanDerWaalsContact CZ-OE2 3.28Å; R634-E641 IonicContact NE-OE2 3.34Å; R634-E641 PolarHBondContact NE-OE2 3.23Å; R634-E641 IonicContact NH1-OE2 2.74Å; R634-E641 PolarHBondContact NH1-OE2 3.42Å; R634-E641 PolarHBondContact NH2-O 2.88Å; E641-C643 PolarHBondContact O-N 2.8Å
642S88.3Confident88.3Confident92 Ų9255.8 Ų55.864%0.64328%0.279SS*.THydrogen-bonded Turntrans-72.311.9172.4-440000114.2N640 I644N640-S642 VanDerWaalsContact C-N 3.28Å; N640-S642 PolarHBondContact O-N 2.87Å; N640-S642 WeakPolarHBondContact OD1-CA 3.32Å; N640-S642 PolarHBondContact OD1-N 2.86Å; S642-I644 PolarHBondContact O-N 3.42Å; S642-I644 VanDerWaalsContact O-N 3.12Å
643C86.7Confident88Confident24 Ų2453.9 Ų53.916%0.16227%0.267CS..  trans58.316.3-177.6-63.20000115.9F527 R634 I639 N640 E641 V645F527-C643 HydrophobicContact CD1-CB 3.88Å; F527-C643 HydrophobicContact CE1-CB 3.57Å; F527-C643 HydrophobicContact CE2-CB 4.47Å; F527-C643 HydrophobicContact CG-CB 4.48Å; F527-C643 HydrophobicContact CZ-CB 3.88Å; R634-C643 PolarHBondContact NH2-SG 3.48Å; R634-C643 VanDerWaalsContact NH2-SG 3.38Å; I639-C643 HydrophobicContact CD1-CB 4.45Å; N640-C643 WeakPolarHBondContact O-CA 3.5Å; N640-C643 PolarHBondContact O-N 3.44Å; N640-C643 PolarHBondContact OD1-N 2.89Å; E641-C643 PolarHBondContact O-N 2.8Å; C643-V645 PolarHBondContact O-N 3.4Å
644I90.1Very high87.5Confident102 Ų10255.1 Ų55.152%0.52328%0.275SS..PPolyproline II helixtrans-73.9127.7176.3-55.7174.9000109.4I639 N640 S642 Q646I639-I644 WeakPolarHBondContact CA-O 3.4Å; N640-I644 PolarHBondContact N-O 3.2Å; N640-I644 VanDerWaalsContact N-O 3.09Å; N640-I644 WeakPolarHBondContact OD1-CB 3.27Å; N640-I644 PolarHBondContact OD1-N 2.91Å; S642-I644 PolarHBondContact O-N 3.42Å; S642-I644 VanDerWaalsContact O-N 3.12Å; I644-Q646 PolarHBondContact O-N 3.4Å; I644-Q646 PolarHBondContact O-NE2 3.14Å
645V90Very high86.9Confident10 Ų1052 Ų526%0.06126%0.264CS..BIsolated β-bridgetrans-70.5116.7-176.4-169.40000111.7L524 F527 R528 I639 C643 K650L524-V645 HydrophobicContact CD2-CG1 4.17Å; F527-V645 HydrophobicContact CB-CG2 3.46Å; F527-V645 VanDerWaalsContact CB-CG2 3.46Å; R528-V645 HydrophobicContact CB-CG2 4.27Å; I639-V645 HydrophobicContact CG2-CG2 4.43Å; C643-V645 PolarHBondContact O-N 3.4Å; V645-K650 HydrophobicContact CG1-CG 4.01Å; V645-K650 WeakPolarHBondContact O-CE 3.14Å
646Q90.6Very high86Confident71 Ų7149 Ų4933%0.33225%0.252SS..PPolyproline II helixtrans-80.7173.3179.2-55.7-54.7-60.200111.3K637 Y638 I644 G649 K650K637-Q646 WeakPolarHBondContact O-CB 3.4Å; Y638-Q646 PolarHBondContact O-N 2.97Å; I644-Q646 PolarHBondContact O-N 3.4Å; I644-Q646 PolarHBondContact O-NE2 3.14Å; Q646-G649 CarbonylContact O-C 3.52Å; Q646-G649 WeakPolarHBondContact O-CA 3.48Å; Q646-G649 PolarHBondContact O-N 3.43Å; Q646-K650 WeakPolarHBondContact O-CG 3.29Å; Q646-K650 PolarHBondContact O-N 3.07Å
647L86.2Confident85.1Confident97 Ų9749.1 Ų49.151%0.50825%0.254SS..Hα-helixtrans-55.2-46.5179.7179.361.3000113.5G649 K650 V651L647-G649 PolarHBondContact O-N 3.19Å; L647-K650 PolarHBondContact O-N 3.39Å; L647-K650 VanDerWaalsContact O-N 3.13Å; L647-V651 HydrophobicContact CD1-CG2 4.41Å; L647-V651 WeakPolarHBondContact O-CG2 3.29Å; L647-V651 PolarHBondContact O-N 2.85Å
648P84.2Confident84.2Confident37 Ų3746 Ų4624%0.2424%0.241CC..Hα-helixtrans-57.6-37.1172.7-24.434.9000112.3Y638 V651 A652Y638-P648 VanDerWaalsContact CD1-C 3.5Å; Y638-P648 HydrophobicContact CD1-CB 3.78Å; Y638-P648 WeakPolarHBondContact CD1-O 3.45Å; Y638-P648 HydrophobicContact CE1-CB 4.01Å; P648-V651 PolarHBondContact O-N 3.32Å; P648-A652 VanDerWaalsContact O-CB 3.27Å; P648-A652 WeakPolarHBondContact O-CB 3.34Å; P648-A652 PolarHBondContact O-N 2.83Å
649G86.7Confident82.9Confident0 Ų046.5 Ų46.50%024%0.244CC..Hα-helixtrans-66.7-37.7176.900000113.4Y638 Q646 L647 A652 A653Y638-G649 WeakPolarHBondContact O-CA 3.43Å; Q646-G649 CarbonylContact O-C 3.52Å; Q646-G649 WeakPolarHBondContact O-CA 3.48Å; Q646-G649 PolarHBondContact O-N 3.43Å; L647-G649 PolarHBondContact O-N 3.19Å; G649-A652 PolarHBondContact O-N 3.07Å; G649-A653 VanDerWaalsContact O-CB 3.25Å; G649-A653 WeakPolarHBondContact O-CB 3.44Å; G649-A653 PolarHBondContact O-N 2.84Å
650K85.8Confident81.7Confident98 Ų9847.7 Ų47.743%0.42625%0.251SS..Hα-helixtrans-66.8-39175.7-66.7174.1-175179.50111.3V645 Q646 L647 A653V645-K650 HydrophobicContact CG1-CG 4.01Å; V645-K650 WeakPolarHBondContact O-CE 3.14Å; Q646-K650 WeakPolarHBondContact O-CG 3.29Å; Q646-K650 PolarHBondContact O-N 3.07Å; L647-K650 PolarHBondContact O-N 3.39Å; L647-K650 VanDerWaalsContact O-N 3.13Å; K650-A653 PolarHBondContact O-N 3.43Å
651V84.3Confident80.3Confident4 Ų449 Ų492%0.02426%0.258CS..Hα-helixtrans-66.6-49.2173.8170.80000111.2L647 P648 A653 V654 I655 F662 A718 L721 I722L647-V651 HydrophobicContact CD1-CG2 4.41Å; L647-V651 WeakPolarHBondContact O-CG2 3.29Å; L647-V651 PolarHBondContact O-N 2.85Å; P648-V651 PolarHBondContact O-N 3.32Å; V651-A653 PolarHBondContact O-N 3.26Å; V651-V654 WeakPolarHBondContact O-CG2 3.2Å; V651-V654 PolarHBondContact O-N 2.98Å; V651-I655 HydrophobicContact CG1-CD1 4.37Å; V651-F662 HydrophobicContact CG1-CD1 3.49Å; V651-F662 VanDerWaalsContact CG1-CD1 3.49Å; V651-F662 HydrophobicContact CG1-CE1 3.64Å; V651-F662 HydrophobicContact CG1-CG 4.16Å; V651-F662 HydrophobicContact CG1-CZ 4.43Å; V651-A718 HydrophobicContact CG1-CB 3.83Å; V651-L721 HydrophobicContact CG2-CB 4.31Å; V651-I722 HydrophobicContact CG1-CD1 4.32Å; V651-I722 HydrophobicContact CG2-CD1 4.25Å; V651-I722 HydrophobicContact CG2-CG1 3.67Å
652A84.5Confident78.8Confident0 Ų043.6 Ų43.60%023%0.232CC..Hα-helixtrans-64-26.8176.400000113.2L524 Y638 P648 G649 V654 I655 P659L524-A652 HydrophobicContact CD1-CB 3.6Å; Y638-A652 HydrophobicContact CD1-CB 3.85Å; Y638-A652 HydrophobicContact CE1-CB 3.77Å; P648-A652 VanDerWaalsContact O-CB 3.27Å; P648-A652 WeakPolarHBondContact O-CB 3.34Å; P648-A652 PolarHBondContact O-N 2.83Å; G649-A652 PolarHBondContact O-N 3.07Å; A652-V654 VanDerWaalsContact C-N 3.34Å; A652-V654 PolarHBondContact O-N 3.04Å; A652-I655 PolarHBondContact O-N 2.71Å; A652-P659 HydrophobicContact CB-CB 4.05Å; A652-P659 WeakPolarHBondContact O-CB 3.25Å
653A83.4Confident77Confident3 Ų341.3 Ų41.33%0.02522%0.216CC..Hα-helixtrans-68.5-26.5176.800000113.9N521 L524 N525 G649 K650 V651N521-A653 PolarHBondContact ND2-O 3.48Å; L524-A653 HydrophobicContact CB-CB 4.04Å; N525-A653 PolarHBondContact ND2-O 3.38Å; G649-A653 VanDerWaalsContact O-CB 3.25Å; G649-A653 WeakPolarHBondContact O-CB 3.44Å; G649-A653 PolarHBondContact O-N 2.84Å; K650-A653 PolarHBondContact O-N 3.43Å; V651-A653 PolarHBondContact O-N 3.26Å
654V80.1Confident75.2Confident27 Ų2745.3 Ų45.316%0.16423%0.232CC..Hα-helixtrans-90.2-7.1176.9-60.20000113.5V651 A652 T717 A718 L721V651-V654 WeakPolarHBondContact O-CG2 3.2Å; V651-V654 PolarHBondContact O-N 2.98Å; A652-V654 VanDerWaalsContact C-N 3.34Å; A652-V654 PolarHBondContact O-N 3.04Å; V654-T717 HydrophobicContact CB-CG2 3.92Å; V654-T717 HydrophobicContact CG1-CG2 3.89Å; V654-T717 HydrophobicContact CG2-CG2 4.07Å; V654-A718 HydrophobicContact CG2-CB 4.12Å; V654-L721 HydrophobicContact CB-CD1 4.5Å; V654-L721 HydrophobicContact CG1-CD1 3.74Å; V654-L721 HydrophobicContact CG2-CD1 3.9Å
655I78.7Confident73.2Confident9 Ų947 Ų475%0.04624%0.242CC..  trans-94111.7178-63.4171.2000109.4N521 V651 A652 Q657 P659 F662 A718N521-I655 PolarHBondContact ND2-O 3.41Å; V651-I655 HydrophobicContact CG1-CD1 4.37Å; A652-I655 PolarHBondContact O-N 2.71Å; I655-Q657 WeakPolarHBondContact CG2-O 3.4Å; I655-P659 HydrophobicContact CB-CB 4.4Å; I655-F662 HydrophobicContact CD1-CB 3.69Å; I655-F662 HydrophobicContact CD1-CD2 3.59Å; I655-F662 HydrophobicContact CD1-CE2 4.41Å; I655-F662 HydrophobicContact CD1-CG 3.67Å; I655-A718 HydrophobicContact CD1-CB 4.41Å
656N71.2Confident71.3Confident66 Ų6647 Ų4735%0.35325%0.245SC..  trans-76.1-34.6179.3-68.3-85.5000112.2D714N656-D714 VanDerWaalsContact CB-OD2 3.32Å; N656-D714 WeakPolarHBondContact CB-OD2 3.34Å; N656-D714 PolarHBondContact N-OD2 2.94Å; N656-D714 PolarHBondContact ND2-OD1 3Å; N656-D714 VanDerWaalsContact ND2-OD1 3.16Å; N656-D714 PolarHBondContact ND2-OD2 2.76Å
657Q66.8Low69.5Low71 Ų7150.8 Ų50.833%0.33226%0.26SS..SBendtrans-99.9112.4-177.7-59.6-174.941.500110.8I655I655-Q657 WeakPolarHBondContact CG2-O 3.4Å
658H67.6Low67.9Low69 Ų6954.6 Ų54.632%0.31927%0.268SS..  trans5158.2175.6-59.8-61.7000115.7S13 L660 L661S13-H658 VanDerWaalsContact C-NE2 3.29Å; S13-H658 PolarHBondContact O-NE2 3.05Å; S13-H658 PolarHBondContact OG-CE1 3.16Å; S13-H658 PolarHBondContact OG-NE2 2.98Å; H658-L660 PolarHBondContact O-N 3.27Å; H658-L661 HydrophobicContact CB-CB 4.48Å; H658-L661 HydrophobicContact CB-CD1 3.64Å; H658-L661 HydrophobicContact CB-CG 3.98Å; H658-L661 PolarHBondContact O-N 3.04Å
659P63.1Low66.4Low12 Ų1254.1 Ų54.18%0.07826%0.263CS..G310 helixtrans-56.2-25.8-17324.8-38.2000115.2N521 A652 I655N521-P659 HydrophobicContact CB-CG 4.15Å; A652-P659 HydrophobicContact CB-CB 4.05Å; A652-P659 WeakPolarHBondContact O-CB 3.25Å; I655-P659 HydrophobicContact CB-CB 4.4Å
660L66Low64.9Low29 Ų2955.5 Ų55.515%0.15227%0.271CS..G310 helixtrans-81.1-13.4-180-56.8-167.4000114.7Y520 V632 L633 Y638 H658 F662Y520-L660 HydrophobicContact CD1-CD1 3.98Å; Y520-L660 HydrophobicContact CD1-CD2 4.4Å; Y520-L660 HydrophobicContact CD1-CG 4.48Å; Y520-L660 HydrophobicContact CD2-CD1 3.41Å; Y520-L660 VanDerWaalsContact CD2-CD1 3.41Å; Y520-L660 HydrophobicContact CD2-CD2 4.43Å; Y520-L660 HydrophobicContact CD2-CG 3.74Å; Y520-L660 HydrophobicContact CE1-CD1 3.95Å; Y520-L660 HydrophobicContact CE2-CD1 3.38Å; Y520-L660 HydrophobicContact CE2-CG 4.23Å; Y520-L660 HydrophobicContact CG-CD1 3.7Å; Y520-L660 HydrophobicContact CG-CD2 4.05Å; Y520-L660 HydrophobicContact CG-CG 3.88Å; V632-L660 HydrophobicContact CG1-CD1 3.84Å; L633-L660 HydrophobicContact CD2-CD2 3.99Å; Y638-L660 HydrophobicContact CD2-CD2 3.94Å; Y638-L660 HydrophobicContact CE2-CD2 3.55Å; Y638-L660 PolarHBondContact OH-O 3.31Å; H658-L660 PolarHBondContact O-N 3.27Å; L660-F662 PolarHBondContact O-N 3.31Å
661L61.3Low63.3Low82 Ų8254.6 Ų54.643%0.42927%0.274SS..G310 helixtrans-69.9-17172-70.2179000111.5H658 S663 I669H658-L661 HydrophobicContact CB-CB 4.48Å; H658-L661 HydrophobicContact CB-CD1 3.64Å; H658-L661 HydrophobicContact CB-CG 3.98Å; H658-L661 PolarHBondContact O-N 3.04Å; L661-S663 PolarHBondContact O-N 2.85Å; L661-I669 HydrophobicContact CB-CD1 3.74Å; L661-I669 HydrophobicContact CB-CG1 3.9Å
662F58.5Low61.9Low12 Ų1256.2 Ų56.25%0.05328%0.282CS..SBendtrans-80.560.3168.1-142.6-83.5000111Y638 V651 I655 L660 G666 I669 V670 L715 I722Y638-F662 PolarHBondContact OH-O 2.89Å; V651-F662 HydrophobicContact CG1-CD1 3.49Å; V651-F662 VanDerWaalsContact CG1-CD1 3.49Å; V651-F662 HydrophobicContact CG1-CE1 3.64Å; V651-F662 HydrophobicContact CG1-CG 4.16Å; V651-F662 HydrophobicContact CG1-CZ 4.43Å; I655-F662 HydrophobicContact CD1-CB 3.69Å; I655-F662 HydrophobicContact CD1-CD2 3.59Å; I655-F662 HydrophobicContact CD1-CE2 4.41Å; I655-F662 HydrophobicContact CD1-CG 3.67Å; L660-F662 PolarHBondContact O-N 3.31Å; F662-G666 VanDerWaalsContact CE1-CA 3.45Å; F662-I669 HydrophobicContact CB-CD1 4.2Å; F662-I669 HydrophobicContact CD2-CB 3.97Å; F662-I669 HydrophobicContact CD2-CD1 4.01Å; F662-I669 HydrophobicContact CD2-CG1 4.47Å; F662-I669 HydrophobicContact CD2-CG2 4.26Å; F662-I669 HydrophobicContact CE2-CB 4.35Å; F662-I669 HydrophobicContact CE2-CG2 4.43Å; F662-V670 HydrophobicContact CE2-CG2 4.2Å; F662-V670 HydrophobicContact CZ-CG2 4.43Å; F662-L715 HydrophobicContact CE2-CD1 3.56Å; F662-L715 HydrophobicContact CZ-CD1 4.18Å; F662-I722 HydrophobicContact CE1-CD1 3.79Å; F662-I722 HydrophobicContact CZ-CD1 3.99Å
663S51.2Low60.6Low44 Ų4456.3 Ų56.331%0.30828%0.283SS..  trans-62.1169.317771.90000111.9L661 N665 G666L661-S663 PolarHBondContact O-N 2.85Å; S663-N665 PolarHBondContact O-N 3.33Å; S663-G666 PolarHBondContact O-N 3.28Å
664Q49.5Very low59.3Low109 Ų10957 Ų5751%0.50929%0.286SS..THydrogen-bonded Turntrans-52.7-15.4-167.1-68.6176.58.500116.8F636F636-Q664 PolarHBondContact O-NE2 2.89Å
665N47.5Very low58.4Low136 Ų13657.7 Ų57.773%0.72729%0.287SS*.THydrogen-bonded Turntrans-96.1-7.5176.4-69.3-12.6000114.6S663 K667S663-N665 PolarHBondContact O-N 3.33Å; N665-K667 WeakPolarHBondContact O-CG 3.32Å; N665-K667 PolarHBondContact O-N 3.46Å
666G50.9Low57.2Low12 Ų1261.5 Ų61.512%0.12431%0.313CS..  trans66.4-30.3-179.500000116.9F662 S663 R668F662-G666 VanDerWaalsContact CE1-CA 3.45Å; S663-G666 PolarHBondContact O-N 3.28Å; G666-R668 PolarHBondContact O-N 3.45Å
667K52.3Low56.6Low150 Ų15062.7 Ų62.765%0.65232%0.316SS*.Hα-helixtrans-56.4-37.6-167.8-71.7169-177.8-177.30115.2N665 I669 V670 T671N665-K667 WeakPolarHBondContact O-CG 3.32Å; N665-K667 PolarHBondContact O-N 3.46Å; K667-I669 PolarHBondContact O-N 3.08Å; K667-V670 WeakPolarHBondContact O-CB 3.49Å; K667-V670 PolarHBondContact O-N 3.13Å; K667-V670 VanDerWaalsContact O-N 3.15Å; K667-T671 WeakPolarHBondContact O-CB 3.43Å; K667-T671 PolarHBondContact O-N 3.45Å; K667-T671 PolarHBondContact O-OG1 3.5Å
668R52.3Low56.3Low177 Ų17759.5 Ų59.567%0.66830%0.302SS*.Hα-helixtrans-62.5-44.8-169.2-78.5-171.4173-177-3114.7G666 I672G666-R668 PolarHBondContact O-N 3.45Å; R668-I672 WeakPolarHBondContact O-CD1 3.5Å; R668-I672 WeakPolarHBondContact O-CG1 3.46Å; R668-I672 PolarHBondContact O-N 2.69Å
669I52.7Low56.1Low27 Ų2758.5 Ų58.514%0.13830%0.298CS..Hα-helixtrans-66.4-44.5173.2-81.4177.3000110.2L661 F662 K667 T671 I672 V673L661-I669 HydrophobicContact CB-CD1 3.74Å; L661-I669 HydrophobicContact CB-CG1 3.9Å; F662-I669 HydrophobicContact CB-CD1 4.2Å; F662-I669 HydrophobicContact CD2-CB 3.97Å; F662-I669 HydrophobicContact CD2-CD1 4.01Å; F662-I669 HydrophobicContact CD2-CG1 4.47Å; F662-I669 HydrophobicContact CD2-CG2 4.26Å; F662-I669 HydrophobicContact CE2-CB 4.35Å; F662-I669 HydrophobicContact CE2-CG2 4.43Å; K667-I669 PolarHBondContact O-N 3.08Å; I669-T671 VanDerWaalsContact C-N 3.34Å; I669-T671 PolarHBondContact O-N 2.84Å; I669-I672 PolarHBondContact O-N 2.98Å; I669-I672 VanDerWaalsContact O-N 3.13Å; I669-V673 HydrophobicContact CG2-CG2 3.77Å; I669-V673 WeakPolarHBondContact O-CB 3.45Å; I669-V673 VanDerWaalsContact O-CG2 3.29Å; I669-V673 WeakPolarHBondContact O-CG2 3.35Å; I669-V673 PolarHBondContact O-N 3.44Å
670V54.6Low56Low28 Ų2863.8 Ų63.817%0.1732%0.321CS..Hα-helixtrans-56.8-46.1-178.6179.20000111.1F662 K667 I672 L674 L715 L727F662-V670 HydrophobicContact CE2-CG2 4.2Å; F662-V670 HydrophobicContact CZ-CG2 4.43Å; K667-V670 WeakPolarHBondContact O-CB 3.49Å; K667-V670 PolarHBondContact O-N 3.13Å; K667-V670 VanDerWaalsContact O-N 3.15Å; V670-I672 VanDerWaalsContact C-N 3.33Å; V670-I672 PolarHBondContact O-N 3.5Å; V670-L674 HydrophobicContact CG1-CD1 3.75Å; V670-L674 HydrophobicContact CG1-CG 4.47Å; V670-L674 WeakPolarHBondContact O-CA 3.5Å; V670-L674 VanDerWaalsContact O-CB 3.23Å; V670-L674 WeakPolarHBondContact O-CB 3.48Å; V670-L674 WeakPolarHBondContact O-CG 3.36Å; V670-L674 PolarHBondContact O-N 3.08Å; V670-L715 HydrophobicContact CG2-CD1 4.15Å; V670-L715 HydrophobicContact CG2-CD2 4.46Å; V670-L727 HydrophobicContact CG1-CD1 3.68Å; V670-L727 HydrophobicContact CG2-CD1 3.92Å; V670-L727 HydrophobicContact CG2-CD2 4.32Å
671T52.3Low55.8Low79 Ų7963 Ų6349%0.48532%0.319SS..Hα-helixtrans-63.5-32.6177.9-59.90000113.6K667 I669 H675K667-T671 WeakPolarHBondContact O-CB 3.43Å; K667-T671 PolarHBondContact O-N 3.45Å; K667-T671 PolarHBondContact O-OG1 3.5Å; I669-T671 VanDerWaalsContact C-N 3.34Å; I669-T671 PolarHBondContact O-N 2.84Å; T671-H675 WeakPolarHBondContact O-CA 3.49Å; T671-H675 WeakPolarHBondContact O-CB 3.44Å; T671-H675 PolarHBondContact O-N 3.03Å
672I56.5Low56Low39 Ų3959.6 Ų59.620%0.230%0.301CS..Hα-helixtrans-82.3-45.7179.7-62.3163.4000111I15 F16 R668 I669 V670I15-I672 HydrophobicContact CB-CG2 3.85Å; I15-I672 HydrophobicContact CD1-CG2 4.31Å; I15-I672 HydrophobicContact CG2-CG2 3.81Å; F16-I672 HydrophobicContact CE2-CD1 3.9Å; F16-I672 HydrophobicContact CE2-CG1 4.44Å; R668-I672 WeakPolarHBondContact O-CD1 3.5Å; R668-I672 WeakPolarHBondContact O-CG1 3.46Å; R668-I672 PolarHBondContact O-N 2.69Å; I669-I672 PolarHBondContact O-N 2.98Å; I669-I672 VanDerWaalsContact O-N 3.13Å; V670-I672 VanDerWaalsContact C-N 3.33Å; V670-I672 PolarHBondContact O-N 3.5Å
673V56.1Low56.4Low2 Ų259.3 Ų59.31%0.01230%0.299CS..Hα-helixtrans-67.2-39.7-179.81780000111.3I15 I669 L678 C712 L715I15-V673 HydrophobicContact CD1-CB 4.42Å; I15-V673 HydrophobicContact CD1-CG2 3.43Å; I15-V673 VanDerWaalsContact CD1-CG2 3.43Å; I669-V673 HydrophobicContact CG2-CG2 3.77Å; I669-V673 WeakPolarHBondContact O-CB 3.45Å; I669-V673 VanDerWaalsContact O-CG2 3.29Å; I669-V673 WeakPolarHBondContact O-CG2 3.35Å; I669-V673 PolarHBondContact O-N 3.44Å; V673-L678 WeakPolarHBondContact O-CD2 3.39Å; V673-C712 WeakPolarHBondContact CG1-SG 3.49Å; V673-L715 HydrophobicContact CG1-CD2 4.41Å
674L55.2Low57.3Low17 Ų1761.9 Ų61.99%0.08931%0.313CS..THydrogen-bonded Turntrans-107.429.4-174.7-46.7178.2000111.4V670 I679 L727 L730 V731 T734V670-L674 HydrophobicContact CG1-CD1 3.75Å; V670-L674 HydrophobicContact CG1-CG 4.47Å; V670-L674 WeakPolarHBondContact O-CA 3.5Å; V670-L674 VanDerWaalsContact O-CB 3.23Å; V670-L674 WeakPolarHBondContact O-CB 3.48Å; V670-L674 WeakPolarHBondContact O-CG 3.36Å; V670-L674 PolarHBondContact O-N 3.08Å; L674-I679 HydrophobicContact CB-CD1 4.26Å; L674-I679 WeakPolarHBondContact O-CD1 3.46Å; L674-L727 HydrophobicContact CD1-CD1 4.31Å; L674-L730 HydrophobicContact CD1-CD2 3.64Å; L674-L730 HydrophobicContact CD1-CG 3.95Å; L674-V731 HydrophobicContact CD1-CG2 4.09Å; L674-T734 HydrophobicContact CD2-CG2 3.79Å
675H62.4Low58.6Low41 Ų4159.1 Ų59.119%0.1930%0.299CS..  trans-64.7129.5178.3-162.6-110.7000110.1F28 W30 T671 Q677 L678 I679F28-H675 AromaticContact CD1-CE1 3.85Å; F28-H675 AromaticContact CD1-ND1 3.49Å; F28-H675 WeakPolarHBondContact CD1-ND1 3.05Å; F28-H675 AromaticContact CE1-ND1 3.48Å; F28-H675 WeakPolarHBondContact CE1-ND1 3.24Å; W30-H675 HydrophobicContact CH2-CB 3.89Å; W30-H675 AromaticContact CH2-CD2 3.78Å; W30-H675 AromaticContact CH2-CG 3.52Å; W30-H675 AromaticContact CH2-ND1 3.79Å; W30-H675 HydrophobicContact CZ3-CB 4.48Å; W30-H675 AromaticContact CZ3-CD2 3.62Å; W30-H675 AromaticContact CZ3-CG 3.88Å; W30-H675 AromaticContact CZ3-NE2 3.92Å; T671-H675 WeakPolarHBondContact O-CA 3.49Å; T671-H675 WeakPolarHBondContact O-CB 3.44Å; T671-H675 PolarHBondContact O-N 3.03Å; H675-Q677 VanDerWaalsContact C-N 3.31Å; H675-Q677 PolarHBondContact CE1-OE1 3.44Å; H675-Q677 VanDerWaalsContact CE1-OE1 3.28Å; H675-Q677 PolarHBondContact O-N 2.94Å; H675-L678 HydrophobicContact CB-CB 4.03Å; H675-L678 WeakPolarHBondContact O-CA 3.4Å; H675-L678 WeakPolarHBondContact O-CB 3.22Å; H675-L678 PolarHBondContact O-N 3.35Å; H675-I679 PolarHBondContact O-N 3.22Å
676P54Low60.2Low89 Ų8955.3 Ų55.358%0.57828%0.282SS*.Hα-helixtrans-55-42.9-173.8-29.736.5000113.9L678 I679 E680P676-L678 VanDerWaalsContact C-N 3.32Å; P676-L678 PolarHBondContact O-N 2.83Å; P676-I679 PolarHBondContact O-N 3.09Å; P676-E680 WeakPolarHBondContact O-CB 3.26Å; P676-E680 PolarHBondContact O-N 2.56Å
677Q58.7Low61.8Low92 Ų9255.3 Ų55.343%0.4328%0.279SS..Hα-helixtrans-67.4-28.4176.7-67.8171-33.800113.4F28 H675 C681F28-Q677 HydrophobicContact CD1-CB 4.2Å; F28-Q677 HydrophobicContact CE1-CB 3.54Å; F28-Q677 HydrophobicContact CZ-CB 3.87Å; H675-Q677 VanDerWaalsContact C-N 3.31Å; H675-Q677 PolarHBondContact CE1-OE1 3.44Å; H675-Q677 VanDerWaalsContact CE1-OE1 3.28Å; H675-Q677 PolarHBondContact O-N 2.94Å; Q677-C681 WeakPolarHBondContact O-CB 3.46Å; Q677-C681 PolarHBondContact O-N 3.16Å
678L60.5Low63.2Low4 Ų451 Ų512%0.02127%0.267CS..Hα-helixtrans-71.4-43.6173.6-170.185.9000110L19 F28 V673 H675 P676 L682 F683L19-L678 HydrophobicContact CD2-CD1 3.75Å; F28-L678 HydrophobicContact CE1-CB 4.47Å; V673-L678 WeakPolarHBondContact O-CD2 3.39Å; H675-L678 HydrophobicContact CB-CB 4.03Å; H675-L678 WeakPolarHBondContact O-CA 3.4Å; H675-L678 WeakPolarHBondContact O-CB 3.22Å; H675-L678 PolarHBondContact O-N 3.35Å; P676-L678 VanDerWaalsContact C-N 3.32Å; P676-L678 PolarHBondContact O-N 2.83Å; L678-L682 HydrophobicContact CD1-CD1 3.72Å; L678-L682 HydrophobicContact CD1-CG 4.29Å; L678-L682 HydrophobicContact CG-CD1 3.88Å; L678-L682 HydrophobicContact CG-CG 4.37Å; L678-L682 VanDerWaalsContact O-CB 3.3Å; L678-L682 WeakPolarHBondContact O-CB 3.46Å; L678-L682 PolarHBondContact O-N 3.41Å; L678-F683 HydrophobicContact CD2-CZ 4.37Å
679I61.8Low64.6Low47 Ų4746.4 Ų46.424%0.24125%0.253CS..Hα-helixtrans-61.3-46176-67.1167.4000110.6L674 H675 P676 F683 T684L674-I679 HydrophobicContact CB-CD1 4.26Å; L674-I679 WeakPolarHBondContact O-CD1 3.46Å; H675-I679 PolarHBondContact O-N 3.22Å; P676-I679 PolarHBondContact O-N 3.09Å; I679-F683 HydrophobicContact CB-CD2 3.98Å; I679-F683 HydrophobicContact CB-CE2 4.37Å; I679-F683 HydrophobicContact CG1-CD2 3.82Å; I679-F683 HydrophobicContact CG1-CE2 3.8Å; I679-F683 HydrophobicContact CG2-CD2 4.06Å; I679-F683 VanDerWaalsContact O-CA 3.3Å; I679-F683 WeakPolarHBondContact O-CA 3.4Å; I679-F683 VanDerWaalsContact O-CB 3.24Å; I679-F683 WeakPolarHBondContact O-CB 3.43Å; I679-F683 PolarHBondContact O-N 2.75Å; I679-T684 PolarHBondContact O-N 3.32Å
680E62.4Low66Low123 Ų12345.4 Ų45.458%0.57525%0.248SC*.Iπ-helixtrans-67.4-46.9178.8-173.2175.3-165.300112.2P676 T684P676-E680 WeakPolarHBondContact O-CB 3.26Å; P676-E680 PolarHBondContact O-N 2.56Å; E680-T684 PolarHBondContact O-OG1 3.11Å
681C61.5Low67.3Low14 Ų1445.8 Ų45.810%0.09525%0.249CC..Iπ-helixtrans-67.4-46.5-179.31800000112.7Q677Q677-C681 WeakPolarHBondContact O-CB 3.46Å; Q677-C681 PolarHBondContact O-N 3.16Å
682L65.5Low68.8Low9 Ų947.6 Ų47.65%0.04726%0.26CS..Iπ-helixtrans-92.4-34.8-172.8-59.4-173.6000113.8L22 L678 L690L22-L682 HydrophobicContact CD1-CD2 4.47Å; L678-L682 HydrophobicContact CD1-CD1 3.72Å; L678-L682 HydrophobicContact CD1-CG 4.29Å; L678-L682 HydrophobicContact CG-CD1 3.88Å; L678-L682 HydrophobicContact CG-CG 4.37Å; L678-L682 VanDerWaalsContact O-CB 3.3Å; L678-L682 WeakPolarHBondContact O-CB 3.46Å; L678-L682 PolarHBondContact O-N 3.41Å; L682-L690 HydrophobicContact CD2-CD1 3.66Å; L682-L690 HydrophobicContact CD2-CD2 3.89Å; L682-L690 HydrophobicContact CD2-CG 4.44Å
683F66.7Low69.9Low7 Ų749.6 Ų49.63%0.03127%0.269CS..Iπ-helixtrans-107.3-12.8-163.8-44.5-26.5000114.4L678 I679 V708 T734 A737 I738 R740L678-F683 HydrophobicContact CD2-CZ 4.37Å; I679-F683 HydrophobicContact CB-CD2 3.98Å; I679-F683 HydrophobicContact CB-CE2 4.37Å; I679-F683 HydrophobicContact CG1-CD2 3.82Å; I679-F683 HydrophobicContact CG1-CE2 3.8Å; I679-F683 HydrophobicContact CG2-CD2 4.06Å; I679-F683 VanDerWaalsContact O-CA 3.3Å; I679-F683 WeakPolarHBondContact O-CA 3.4Å; I679-F683 VanDerWaalsContact O-CB 3.24Å; I679-F683 WeakPolarHBondContact O-CB 3.43Å; I679-F683 PolarHBondContact O-N 2.75Å; F683-V708 HydrophobicContact CZ-CG1 4.03Å; F683-T734 HydrophobicContact CD2-CG2 4.11Å; F683-T734 HydrophobicContact CE2-CG2 3.78Å; F683-A737 HydrophobicContact CB-CB 4.11Å; F683-I738 HydrophobicContact CD1-CG1 3.54Å; F683-I738 HydrophobicContact CD2-CD1 4.4Å; F683-I738 HydrophobicContact CD2-CG1 3.82Å; F683-I738 HydrophobicContact CE1-CD1 4.05Å; F683-I738 HydrophobicContact CE1-CG1 3.51Å; F683-I738 HydrophobicContact CE2-CD1 3.91Å; F683-I738 HydrophobicContact CE2-CG1 3.79Å; F683-I738 HydrophobicContact CG-CG1 3.76Å; F683-I738 HydrophobicContact CZ-CD1 3.75Å; F683-I738 HydrophobicContact CZ-CG1 3.67Å; F683-R740 PolarHBondContact O-NE 3.11Å; F683-R740 VanDerWaalsContact O-NE 3.14Å; F683-R740 PolarHBondContact O-NH2 3.21Å
684T70.2Confident71.1Confident97 Ų9750.4 Ų50.460%0.59527%0.274SS*.Iπ-helixtrans-102.6-37.417270.10000114.3I679 E680 R740I679-T684 PolarHBondContact O-N 3.32Å; E680-T684 PolarHBondContact O-OG1 3.11Å; T684-R740 VanDerWaalsContact C-NH2 3.33Å
685K77.1Confident72.4Confident51 Ų5158 Ų5822%0.22232%0.315CS..SBendtrans-69.1148.9-174.2-67.1-172171.4-146.10114.3E689 M693 R740K685-E689 HydrophobicContact CD-CG 4.28Å; K685-E689 WeakPolarHBondContact CD-OE1 3.26Å; K685-E689 VanDerWaalsContact CE-OE1 3.26Å; K685-E689 WeakPolarHBondContact CE-OE1 3.32Å; K685-E689 IonicContact NZ-OE1 3.81Å; K685-E689 PolarHBondContact NZ-OE1 3Å; K685-M693 HydrophobicContact CD-SD 3.83Å; K685-M693 PolarHBondContact NZ-SD 2.98Å; K685-R740 PolarHBondContact O-NH1 3.23Å; K685-R740 PolarHBondContact O-NH2 3.12Å
686P81.4Confident73.4Confident57 Ų5756.7 Ų56.737%0.3731%0.311SS..  trans-59.7147.4166.8-21.834.2000111.4C688 E689 L690P686-C688 PolarHBondContact O-N 2.98Å; P686-E689 WeakPolarHBondContact CD-OE2 3.3Å; P686-E689 PolarHBondContact O-N 3.41Å; P686-L690 PolarHBondContact O-N 2.97Å; P686-L690 VanDerWaalsContact O-N 3.11Å
687F83.6Confident74.9Confident11 Ų1154.1 Ų54.15%0.04829%0.291CS..Hα-helixtrans-58.5-36.8-177-173.6-97.8000112.6L412 E689 L690 M691 E698 V701 V702 I742 V743L412-F687 HydrophobicContact CD2-CE1 4.11Å; L412-F687 HydrophobicContact CD2-CZ 4.1Å; F687-E689 VanDerWaalsContact C-N 3.31Å; F687-E689 PolarHBondContact O-N 3.02Å; F687-L690 PolarHBondContact O-N 2.85Å; F687-M691 HydrophobicContact CD1-CG 3.98Å; F687-M691 HydrophobicContact CE1-CG 3.59Å; F687-M691 HydrophobicContact CE1-SD 3.85Å; F687-M691 HydrophobicContact CE2-SD 4.18Å; F687-M691 HydrophobicContact CZ-CG 3.98Å; F687-M691 HydrophobicContact CZ-SD 3.58Å; F687-M691 VanDerWaalsContact CZ-SD 3.58Å; F687-M691 WeakPolarHBondContact O-CG 3.3Å; F687-M691 PolarHBondContact O-N 2.73Å; F687-E698 HydrophobicContact CE1-CB 4.09Å; F687-E698 HydrophobicContact CE1-CG 3.98Å; F687-E698 HydrophobicContact CZ-CB 3.99Å; F687-E698 HydrophobicContact CZ-CG 4.29Å; F687-V701 HydrophobicContact CE2-CB 4.45Å; F687-V701 HydrophobicContact CE2-CG1 4.2Å; F687-V702 HydrophobicContact CE2-CG2 3.73Å; F687-V702 HydrophobicContact CZ-CG2 3.83Å; F687-I742 HydrophobicContact CB-CG2 3.86Å; F687-I742 HydrophobicContact CD1-CG2 3.69Å; F687-I742 HydrophobicContact CD2-CG2 3.86Å; F687-I742 HydrophobicContact CE1-CG2 4.2Å; F687-I742 HydrophobicContact CE2-CG2 4.34Å; F687-I742 HydrophobicContact CG-CG2 3.5Å; F687-V743 HydrophobicContact CD2-CG2 4.11Å; F687-V743 HydrophobicContact CE2-CG2 4.4Å
688C81.1Confident76.4Confident61 Ų6151.4 Ų51.441%0.41228%0.279SS..Hα-helixtrans-63.9-30.3176.2540000114.1P686P686-C688 PolarHBondContact O-N 2.98Å
689E81.8Confident77.8Confident79 Ų7951.2 Ų51.237%0.36928%0.278SS..Hα-helixtrans-78.8-38.3175.1-165.8-167.8156.500111K685 P686 F687 M691 T692K685-E689 HydrophobicContact CD-CG 4.28Å; K685-E689 WeakPolarHBondContact CD-OE1 3.26Å; K685-E689 VanDerWaalsContact CE-OE1 3.26Å; K685-E689 WeakPolarHBondContact CE-OE1 3.32Å; K685-E689 IonicContact NZ-OE1 3.81Å; K685-E689 PolarHBondContact NZ-OE1 3Å; P686-E689 WeakPolarHBondContact CD-OE2 3.3Å; P686-E689 PolarHBondContact O-N 3.41Å; F687-E689 VanDerWaalsContact C-N 3.31Å; F687-E689 PolarHBondContact O-N 3.02Å; E689-M691 PolarHBondContact O-N 2.83Å; E689-T692 PolarHBondContact O-N 2.88Å; E689-T692 PolarHBondContact O-OG1 2.64Å
690L81.7Confident79Confident7 Ų749.2 Ų49.24%0.03727%0.267CS..Hα-helixtrans-57.7-38.4171.9176.859.3000111.5L682 P686 F687 T692 M693 V701 I705L682-L690 HydrophobicContact CD2-CD1 3.66Å; L682-L690 HydrophobicContact CD2-CD2 3.89Å; L682-L690 HydrophobicContact CD2-CG 4.44Å; P686-L690 PolarHBondContact O-N 2.97Å; P686-L690 VanDerWaalsContact O-N 3.11Å; F687-L690 PolarHBondContact O-N 2.85Å; L690-T692 VanDerWaalsContact C-N 3.26Å; L690-T692 PolarHBondContact O-N 3.48Å; L690-M693 PolarHBondContact O-N 2.83Å; L690-M693 VanDerWaalsContact O-N 3.08Å; L690-V701 HydrophobicContact CD2-CG1 3.69Å; L690-V701 HydrophobicContact CG-CG1 4.25Å; L690-I705 HydrophobicContact CD2-CD1 4.01Å
691M83.4Confident80.1Confident36 Ų3643.3 Ų43.318%0.17724%0.24CC..THydrogen-bonded Turntrans-70.9-11.7177-63.5-46.8-49.100114.9F687 E689 M693 T694 A696 E698 V701F687-M691 HydrophobicContact CD1-CG 3.98Å; F687-M691 HydrophobicContact CE1-CG 3.59Å; F687-M691 HydrophobicContact CE1-SD 3.85Å; F687-M691 HydrophobicContact CE2-SD 4.18Å; F687-M691 HydrophobicContact CZ-CG 3.98Å; F687-M691 HydrophobicContact CZ-SD 3.58Å; F687-M691 VanDerWaalsContact CZ-SD 3.58Å; F687-M691 WeakPolarHBondContact O-CG 3.3Å; F687-M691 PolarHBondContact O-N 2.73Å; E689-M691 PolarHBondContact O-N 2.83Å; M691-M693 VanDerWaalsContact C-N 3.35Å; M691-T694 HydrophobicContact CE-CG2 4.11Å; M691-A696 WeakPolarHBondContact CE-O 3.49Å; M691-E698 HydrophobicContact CE-CB 4.33Å; M691-E698 HydrophobicContact CE-CG 3.74Å; M691-E698 HydrophobicContact CG-CG 3.99Å; M691-E698 HydrophobicContact SD-CB 4.31Å; M691-E698 HydrophobicContact SD-CG 3.89Å; M691-V701 HydrophobicContact CE-CG2 3.91Å; M691-V701 HydrophobicContact SD-CB 4.15Å; M691-V701 HydrophobicContact SD-CG1 4.35Å; M691-V701 HydrophobicContact SD-CG2 3.74Å
692T83.5Confident81.4Confident117 Ų11742.7 Ų42.772%0.71824%0.235SC*.THydrogen-bonded Turntrans-88.7-4.6169.162.40000112.9E689 L690E689-T692 PolarHBondContact O-N 2.88Å; E689-T692 PolarHBondContact O-OG1 2.64Å; L690-T692 VanDerWaalsContact C-N 3.26Å; L690-T692 PolarHBondContact O-N 3.48Å
693M80Confident82.2Confident81 Ų8145.2 Ų45.240%0.39924%0.244SC..SBendtrans-101.92.9179.3-60.9-178.962.500113.7K685 L690 M691K685-M693 HydrophobicContact CD-SD 3.83Å; K685-M693 PolarHBondContact NZ-SD 2.98Å; L690-M693 PolarHBondContact O-N 2.83Å; L690-M693 VanDerWaalsContact O-N 3.08Å; M691-M693 VanDerWaalsContact C-N 3.35Å
694T81.3Confident82.9Confident19 Ų1945 Ų4512%0.11724%0.243CC..  trans-151.8141.7-177-175.20000113.1L22 M691 A696 V701L22-T694 WeakPolarHBondContact O-CB 3.5Å; L22-T694 PolarHBondContact O-OG1 2.87Å; M691-T694 HydrophobicContact CE-CG2 4.11Å; T694-A696 HydrophobicContact CG2-CB 4.2Å; T694-A696 PolarHBondContact O-N 2.89Å; T694-A696 VanDerWaalsContact OG1-CB 3.31Å; T694-A696 WeakPolarHBondContact OG1-CB 3.49Å; T694-A696 PolarHBondContact OG1-N 3.24Å; T694-A696 VanDerWaalsContact OG1-N 3.13Å; T694-V701 HydrophobicContact CG2-CG2 4.11Å
695D81.1Confident83.6Confident176 Ų17640.6 Ų40.694%0.94122%0.216SC*.SBendtrans-78.8-2.9169.8-68.9-46.9000113
696A83.6Confident83.9Confident13 Ų1340.3 Ų40.311%0.10722%0.216CC..SBendtrans-68.7137.7178.700000111.3E21 L22 M691 T694 V701E21-A696 WeakPolarHBondContact O-CB 3.38Å; L22-A696 HydrophobicContact CD2-CB 4.23Å; M691-A696 WeakPolarHBondContact CE-O 3.49Å; T694-A696 HydrophobicContact CG2-CB 4.2Å; T694-A696 PolarHBondContact O-N 2.89Å; T694-A696 VanDerWaalsContact OG1-CB 3.31Å; T694-A696 WeakPolarHBondContact OG1-CB 3.49Å; T694-A696 PolarHBondContact OG1-N 3.24Å; T694-A696 VanDerWaalsContact OG1-N 3.13Å; A696-V701 HydrophobicContact CB-CG2 4.03Å
697Q86.9Confident83.8Confident36 Ų3642.5 Ų42.517%0.16822%0.217CC..  trans-67.2142.7175.6-59.7-172.9-73.400111.4D352 H408 G699 I700 V701D352-Q697 PolarHBondContact OD2-NE2 2.9Å; H408-Q697 PolarHBondContact CE1-NE2 3.4Å; H408-Q697 PolarHBondContact CE1-OE1 3.19Å; Q697-G699 VanDerWaalsContact C-N 3.29Å; Q697-G699 PolarHBondContact O-N 3.42Å; Q697-G699 VanDerWaalsContact O-N 3.1Å; Q697-I700 HydrophobicContact CB-CD1 4Å; Q697-I700 HydrophobicContact CB-CG1 4.22Å; Q697-I700 WeakPolarHBondContact O-CA 3.5Å; Q697-I700 WeakPolarHBondContact O-CB 3.16Å; Q697-I700 WeakPolarHBondContact O-CG1 3.46Å; Q697-I700 PolarHBondContact O-N 3.34Å; Q697-V701 PolarHBondContact O-N 3.38Å
698E90.1Very high83.6Confident34 Ų3442 Ų4216%0.15922%0.215CC..Hα-helixtrans-50.7-42.3-169.7-65.388.9145.100113.9Q392 L412 F687 M691 I700 V701 V702Q392-E698 WeakPolarHBondContact CB-OE1 3.48Å; Q392-E698 PolarHBondContact NE2-OE2 3.18Å; L412-E698 HydrophobicContact CD1-CB 4.34Å; L412-E698 HydrophobicContact CD2-CB 3.8Å; L412-E698 HydrophobicContact CG-CB 3.79Å; F687-E698 HydrophobicContact CE1-CB 4.09Å; F687-E698 HydrophobicContact CE1-CG 3.98Å; F687-E698 HydrophobicContact CZ-CB 3.99Å; F687-E698 HydrophobicContact CZ-CG 4.29Å; M691-E698 HydrophobicContact CE-CB 4.33Å; M691-E698 HydrophobicContact CE-CG 3.74Å; M691-E698 HydrophobicContact CG-CG 3.99Å; M691-E698 HydrophobicContact SD-CB 4.31Å; M691-E698 HydrophobicContact SD-CG 3.89Å; E698-I700 PolarHBondContact O-N 3.4Å; E698-V701 PolarHBondContact O-N 2.94Å; E698-V702 WeakPolarHBondContact O-CG2 3.44Å; E698-V702 PolarHBondContact O-N 2.9Å
699G88.8Confident83.7Confident0 Ų039.8 Ų39.80%020%0.198CC..Hα-helixtrans-67.6-20.2178.600000114.1S409 G410 Q697 R703S409-G699 CarbonylContact O-C 3.5Å; G410-G699 WeakPolarHBondContact O-CA 3.36Å; G410-G699 PolarHBondContact O-N 2.83Å; Q697-G699 VanDerWaalsContact C-N 3.29Å; Q697-G699 PolarHBondContact O-N 3.42Å; Q697-G699 VanDerWaalsContact O-N 3.1Å; G699-R703 PolarHBondContact O-N 3.28Å; G699-R703 PolarHBondContact O-NH1 3.06Å
700I87.2Confident83.5Confident5 Ų538.6 Ų38.63%0.02619%0.193CC..Hα-helixtrans-73.5-53.4169.2-47.3171.8000108.7R348 Q697 E698 V702 R703 C704R348-I700 VanDerWaalsContact NH2-CD1 3.34Å; Q697-I700 HydrophobicContact CB-CD1 4Å; Q697-I700 HydrophobicContact CB-CG1 4.22Å; Q697-I700 WeakPolarHBondContact O-CA 3.5Å; Q697-I700 WeakPolarHBondContact O-CB 3.16Å; Q697-I700 WeakPolarHBondContact O-CG1 3.46Å; Q697-I700 PolarHBondContact O-N 3.34Å; E698-I700 PolarHBondContact O-N 3.4Å; I700-V702 VanDerWaalsContact C-N 3.31Å; I700-V702 PolarHBondContact O-N 3.39Å; I700-R703 WeakPolarHBondContact O-CA 3.38Å; I700-R703 WeakPolarHBondContact O-CB 3.29Å; I700-R703 PolarHBondContact O-N 3.36Å; I700-C704 PolarHBondContact O-N 3.5Å; I700-C704 PolarHBondContact O-SG 2.95Å
701V86.5Confident83.4Confident0 Ų039.1 Ų39.10%020%0.198CC..Hα-helixtrans-53.1-48179.6-172.20000111.1L22 F687 L690 M691 T694 A696 Q697 E698 R703 C704 I705L22-V701 HydrophobicContact CD2-CB 4.23Å; L22-V701 HydrophobicContact CD2-CG1 4.1Å; L22-V701 HydrophobicContact CD2-CG2 3.75Å; F687-V701 HydrophobicContact CE2-CB 4.45Å; F687-V701 HydrophobicContact CE2-CG1 4.2Å; L690-V701 HydrophobicContact CD2-CG1 3.69Å; L690-V701 HydrophobicContact CG-CG1 4.25Å; M691-V701 HydrophobicContact CE-CG2 3.91Å; M691-V701 HydrophobicContact SD-CB 4.15Å; M691-V701 HydrophobicContact SD-CG1 4.35Å; M691-V701 HydrophobicContact SD-CG2 3.74Å; T694-V701 HydrophobicContact CG2-CG2 4.11Å; A696-V701 HydrophobicContact CB-CG2 4.03Å; Q697-V701 PolarHBondContact O-N 3.38Å; E698-V701 PolarHBondContact O-N 2.94Å; V701-R703 PolarHBondContact O-N 2.92Å; V701-C704 WeakPolarHBondContact O-CB 3.33Å; V701-C704 PolarHBondContact O-N 3.21Å; V701-C704 VanDerWaalsContact O-N 3.13Å; V701-I705 HydrophobicContact CG1-CD1 4.04Å; V701-I705 WeakPolarHBondContact O-CG1 3.41Å; V701-I705 PolarHBondContact O-N 3.39Å
702V87.6Confident83.3Confident0 Ų037.4 Ų37.40%019%0.19CC..Hα-helixtrans-59.4-42175.9171.30000112.4L412 P413 F687 E698 I700 I705 Q706 V743L412-V702 HydrophobicContact CD2-CG2 3.84Å; P413-V702 HydrophobicContact CG-CG1 3.67Å; F687-V702 HydrophobicContact CE2-CG2 3.73Å; F687-V702 HydrophobicContact CZ-CG2 3.83Å; E698-V702 WeakPolarHBondContact O-CG2 3.44Å; E698-V702 PolarHBondContact O-N 2.9Å; I700-V702 VanDerWaalsContact C-N 3.31Å; I700-V702 PolarHBondContact O-N 3.39Å; V702-I705 PolarHBondContact O-N 3.12Å; V702-Q706 HydrophobicContact CG1-CG 4.4Å; V702-Q706 WeakPolarHBondContact O-CB 3.32Å; V702-Q706 WeakPolarHBondContact O-CG 3.36Å; V702-Q706 PolarHBondContact O-N 3.15Å; V702-V743 HydrophobicContact CG1-CG1 4.1Å; V702-V743 HydrophobicContact CG2-CG2 4.42Å
703R83.2Confident83.3Confident63 Ų6336.2 Ų36.224%0.23817%0.172CC..Hα-helixtrans-67.4-35.2175.3-81.7-167.6-52.9-75.8-1.7112.9S409 G699 I700 V701 Q706 R707S409-R703 VanDerWaalsContact O-CZ 3.24Å; S409-R703 PolarHBondContact O-NH1 3.18Å; S409-R703 PolarHBondContact O-NH2 3.33Å; G699-R703 PolarHBondContact O-N 3.28Å; G699-R703 PolarHBondContact O-NH1 3.06Å; I700-R703 WeakPolarHBondContact O-CA 3.38Å; I700-R703 WeakPolarHBondContact O-CB 3.29Å; I700-R703 PolarHBondContact O-N 3.36Å; V701-R703 PolarHBondContact O-N 2.92Å; R703-Q706 PolarHBondContact O-N 2.86Å; R703-R707 WeakPolarHBondContact O-CB 3.36Å; R703-R707 VanDerWaalsContact O-CG 3.3Å; R703-R707 WeakPolarHBondContact O-CG 3.25Å; R703-R707 PolarHBondContact O-N 2.88Å
704C81.4Confident83.3Confident1 Ų133.6 Ų33.61%0.00716%0.159CC..Hα-helixtrans-63.6-48.4176.5-72.60000110.6I18 I700 V701 Q706 R707 V708I18-C704 HydrophobicContact CG2-CB 3.66Å; I700-C704 PolarHBondContact O-N 3.5Å; I700-C704 PolarHBondContact O-SG 2.95Å; V701-C704 WeakPolarHBondContact O-CB 3.33Å; V701-C704 PolarHBondContact O-N 3.21Å; V701-C704 VanDerWaalsContact O-N 3.13Å; C704-Q706 PolarHBondContact O-N 3.06Å; C704-R707 WeakPolarHBondContact O-CB 3.4Å; C704-R707 PolarHBondContact O-N 2.83Å; C704-V708 WeakPolarHBondContact O-CG2 3.37Å; C704-V708 PolarHBondContact O-N 3.09Å
705I83.9Confident83.4Confident5 Ų532.9 Ų32.93%0.02616%0.155CC..Hα-helixtrans-63.8-40.7176.4-58.4164.5000111.1L690 V701 V702 R707 V708 H709 I738 V743 F744L690-I705 HydrophobicContact CD2-CD1 4.01Å; V701-I705 HydrophobicContact CG1-CD1 4.04Å; V701-I705 WeakPolarHBondContact O-CG1 3.41Å; V701-I705 PolarHBondContact O-N 3.39Å; V702-I705 PolarHBondContact O-N 3.12Å; I705-R707 PolarHBondContact O-N 3.18Å; I705-V708 PolarHBondContact O-N 2.86Å; I705-H709 PolarHBondContact O-N 3.11Å; I705-I738 HydrophobicContact CG2-CG2 3.54Å; I705-V743 HydrophobicContact CB-CG1 3.8Å; I705-V743 HydrophobicContact CD1-CG1 4.34Å; I705-V743 HydrophobicContact CD1-CG2 4.06Å; I705-V743 HydrophobicContact CG2-CG1 3.71Å; I705-F744 HydrophobicContact CG2-CE2 4.26Å
706Q83.5Confident83.5Confident45 Ų4527.6 Ų27.621%0.2112%0.124CC..Hα-helixtrans-61.6-40.2174.2-74173.5-3.600112.8V702 R703 C704 H709 E710 V743 F744V702-Q706 HydrophobicContact CG1-CG 4.4Å; V702-Q706 WeakPolarHBondContact O-CB 3.32Å; V702-Q706 WeakPolarHBondContact O-CG 3.36Å; V702-Q706 PolarHBondContact O-N 3.15Å; R703-Q706 PolarHBondContact O-N 2.86Å; C704-Q706 PolarHBondContact O-N 3.06Å; Q706-H709 PolarHBondContact O-N 3.33Å; Q706-E710 WeakPolarHBondContact O-CG 3.48Å; Q706-E710 PolarHBondContact O-N 3.49Å; Q706-V743 HydrophobicContact CG-CG1 4.32Å; Q706-V743 PolarHBondContact NE2-O 3.38Å; Q706-F744 HydrophobicContact CG-CE1 4.03Å; Q706-F744 HydrophobicContact CG-CZ 4.06Å
707R79.2Confident83.5Confident103 Ų10330 Ų3039%0.38914%0.137SC..Hα-helixtrans-65.3-38.5173.6-78169.4170.4170.5-6.2112.5I18 E21 R703 C704 I705 E710 A711I18-R707 HydrophobicContact CD1-CB 4.22Å; E21-R707 IonicContact OE2-NH1 2.79Å; E21-R707 PolarHBondContact OE2-NH1 3.36Å; R703-R707 WeakPolarHBondContact O-CB 3.36Å; R703-R707 VanDerWaalsContact O-CG 3.3Å; R703-R707 WeakPolarHBondContact O-CG 3.25Å; R703-R707 PolarHBondContact O-N 2.88Å; C704-R707 WeakPolarHBondContact O-CB 3.4Å; C704-R707 PolarHBondContact O-N 2.83Å; I705-R707 PolarHBondContact O-N 3.18Å; R707-E710 PolarHBondContact O-N 2.93Å; R707-A711 PolarHBondContact O-N 2.91Å
708V79.9Confident83.3Confident2 Ų228.3 Ų28.31%0.01213%0.129CC..Hα-helixtrans-65.9-43175.4172.80000110.3I18 F683 C704 I705 E710 A711 C712 I738I18-V708 HydrophobicContact CD1-CG2 4.32Å; F683-V708 HydrophobicContact CZ-CG1 4.03Å; C704-V708 WeakPolarHBondContact O-CG2 3.37Å; C704-V708 PolarHBondContact O-N 3.09Å; I705-V708 PolarHBondContact O-N 2.86Å; V708-E710 PolarHBondContact O-N 3.26Å; V708-A711 CarbonylContact O-C 3.58Å; V708-A711 PolarHBondContact O-N 3.06Å; V708-C712 PolarHBondContact O-N 3.47Å; V708-C712 PolarHBondContact O-SG 3.28Å; V708-I738 HydrophobicContact CG1-CD1 4.18Å
709H82.8Confident83Confident13 Ų1326.7 Ų26.76%0.0612%0.122CC..Hα-helixtrans-60.7-40.5172.4170.6-95000113.2I705 Q706 C712 R713 I738 F744I705-H709 PolarHBondContact O-N 3.11Å; Q706-H709 PolarHBondContact O-N 3.33Å; H709-C712 PolarHBondContact O-N 2.84Å; H709-R713 PolarHBondContact O-N 3.21Å; H709-I738 HydrophobicContact CB-CG2 3.81Å; H709-F744 HydrophobicContact CB-CE1 4.22Å; H709-F744 HydrophobicContact CB-CZ 3.66Å; H709-F744 AromaticContact CE1-CE1 3.94Å; H709-F744 AromaticContact CG-CE1 3.83Å; H709-F744 AromaticContact CG-CZ 3.68Å; H709-F744 AromaticContact ND1-CE1 3.69Å
710E78.9Confident82.8Confident55 Ų5530.4 Ų30.426%0.25715%0.147SC..Hα-helixtrans-61.6-44.2172.1-74.2175.5167.200111.2K146 Q706 R707 V708 R713 D714K146-E710 IonicContact NZ-OE1 3.68Å; K146-E710 PolarHBondContact NZ-OE1 2.88Å; Q706-E710 WeakPolarHBondContact O-CG 3.48Å; Q706-E710 PolarHBondContact O-N 3.49Å; R707-E710 PolarHBondContact O-N 2.93Å; V708-E710 PolarHBondContact O-N 3.26Å; E710-R713 WeakPolarHBondContact O-CB 3.39Å; E710-R713 PolarHBondContact O-N 3.23Å; E710-D714 PolarHBondContact O-N 3.35Å; E710-D714 VanDerWaalsContact O-N 3.14Å
711A78.9Confident82.6Confident18 Ų1833.9 Ų33.915%0.14917%0.165CC..Hα-helixtrans-65.2-37.2175.200000113.3R707 V708 R713 D714 L715R707-A711 PolarHBondContact O-N 2.91Å; V708-A711 CarbonylContact O-C 3.58Å; V708-A711 PolarHBondContact O-N 3.06Å; A711-R713 VanDerWaalsContact C-N 3.28Å; A711-R713 PolarHBondContact O-N 3.13Å; A711-D714 PolarHBondContact O-N 3.1Å; A711-L715 VanDerWaalsContact O-CB 3.32Å; A711-L715 WeakPolarHBondContact O-CB 3.48Å; A711-L715 PolarHBondContact O-N 3.34Å
712C81.8Confident82.5Confident0 Ų037.3 Ų37.30%018%0.182CC..Hα-helixtrans-64.1-31.9173.1-70.30000112V673 V708 H709 L715 K716 V731 L735V673-C712 WeakPolarHBondContact CG1-SG 3.49Å; V708-C712 PolarHBondContact O-N 3.47Å; V708-C712 PolarHBondContact O-SG 3.28Å; H709-C712 PolarHBondContact O-N 2.84Å; C712-L715 PolarHBondContact O-N 2.66Å; C712-K716 PolarHBondContact O-N 3.08Å; C712-V731 HydrophobicContact CB-CG1 4.36Å; C712-V731 WeakPolarHBondContact O-CG1 3.28Å; C712-L735 HydrophobicContact CB-CD2 3.49Å; C712-L735 VanDerWaalsContact CB-CD2 3.49Å; C712-L735 HydrophobicContact CB-CG 3.85Å
713R83.2Confident82.3Confident91 Ų9140.1 Ų40.134%0.34321%0.212SC..Hα-helixtrans-72.4-42.4175.5-170-171.6-64.4-172.90.6112.5G168 H709 E710 A711 L715 K716 T717G168-R713 PolarHBondContact O-NH1 2.92Å; G168-R713 PolarHBondContact O-NH2 3.01Å; H709-R713 PolarHBondContact O-N 3.21Å; E710-R713 WeakPolarHBondContact O-CB 3.39Å; E710-R713 PolarHBondContact O-N 3.23Å; A711-R713 VanDerWaalsContact C-N 3.28Å; A711-R713 PolarHBondContact O-N 3.13Å; R713-L715 PolarHBondContact O-N 2.64Å; R713-K716 PolarHBondContact O-N 2.95Å; R713-T717 PolarHBondContact O-N 3.44Å; R713-T717 VanDerWaalsContact O-N 3.07Å; R713-T717 PolarHBondContact O-OG1 3.35Å
714D80.7Confident82.2Confident26 Ų2639.9 Ų39.914%0.13922%0.215CC..Hα-helixtrans-58.1-42.6170.1-77.78.4000109.8N656 E710 A711 T717 A718N656-D714 VanDerWaalsContact CB-OD2 3.32Å; N656-D714 WeakPolarHBondContact CB-OD2 3.34Å; N656-D714 PolarHBondContact N-OD2 2.94Å; N656-D714 PolarHBondContact ND2-OD1 3Å; N656-D714 VanDerWaalsContact ND2-OD1 3.16Å; N656-D714 PolarHBondContact ND2-OD2 2.76Å; E710-D714 PolarHBondContact O-N 3.35Å; E710-D714 VanDerWaalsContact O-N 3.14Å; A711-D714 PolarHBondContact O-N 3.1Å; D714-T717 WeakPolarHBondContact O-CB 3.29Å; D714-T717 PolarHBondContact O-N 3.48Å; D714-A718 PolarHBondContact O-N 3.07Å
715L81.9Confident82.3Confident4 Ų444.2 Ų44.22%0.02124%0.243CC..Hα-helixtrans-65.7-37.5177.4-175.459.6000113.5F662 V670 V673 A711 C712 R713 T717 A718 S719 V731F662-L715 HydrophobicContact CE2-CD1 3.56Å; F662-L715 HydrophobicContact CZ-CD1 4.18Å; V670-L715 HydrophobicContact CG2-CD1 4.15Å; V670-L715 HydrophobicContact CG2-CD2 4.46Å; V673-L715 HydrophobicContact CG1-CD2 4.41Å; A711-L715 VanDerWaalsContact O-CB 3.32Å; A711-L715 WeakPolarHBondContact O-CB 3.48Å; A711-L715 PolarHBondContact O-N 3.34Å; C712-L715 PolarHBondContact O-N 2.66Å; R713-L715 PolarHBondContact O-N 2.64Å; L715-T717 VanDerWaalsContact C-N 3.31Å; L715-A718 WeakPolarHBondContact O-CB 3.33Å; L715-A718 PolarHBondContact O-N 2.84Å; L715-S719 PolarHBondContact O-N 2.68Å; L715-V731 HydrophobicContact CB-CG1 4.49Å; L715-V731 HydrophobicContact CD2-CG2 3.72Å; L715-V731 HydrophobicContact CG-CG2 3.85Å
716K83.7Confident82.2Confident66 Ų6650.1 Ų50.129%0.28728%0.275SS..Hα-helixtrans-61.8-41.9171.3179.9175.6-176.7167.10111.2C712 R713 A718 S719 C720 V731 D732 L735C712-K716 PolarHBondContact O-N 3.08Å; R713-K716 PolarHBondContact O-N 2.95Å; K716-A718 VanDerWaalsContact C-N 3.29Å; K716-A718 PolarHBondContact O-N 2.93Å; K716-S719 PolarHBondContact O-N 2.87Å; K716-S719 PolarHBondContact O-OG 3.41Å; K716-C720 PolarHBondContact O-N 3.15Å; K716-C720 PolarHBondContact O-SG 3.34Å; K716-C720 VanDerWaalsContact O-SG 3.34Å; K716-V731 HydrophobicContact CB-CG1 3.86Å; K716-D732 WeakPolarHBondContact CD-OD1 3.44Å; K716-D732 WeakPolarHBondContact CE-OD1 3.32Å; K716-D732 WeakPolarHBondContact CE-OD2 3.26Å; K716-D732 IonicContact NZ-OD1 3.4Å; K716-D732 PolarHBondContact NZ-OD1 3.46Å; K716-D732 IonicContact NZ-OD2 3.75Å; K716-D732 PolarHBondContact NZ-OD2 3.03Å; K716-L735 HydrophobicContact CB-CD1 4.36Å; K716-L735 HydrophobicContact CD-CD1 4.2Å
717T83.6Confident82Confident64 Ų6448.9 Ų48.939%0.39327%0.27SS..Hα-helixtrans-64.9-39.4177.5-49.20000110.5V654 R713 D714 L715 L721V654-T717 HydrophobicContact CB-CG2 3.92Å; V654-T717 HydrophobicContact CG1-CG2 3.89Å; V654-T717 HydrophobicContact CG2-CG2 4.07Å; R713-T717 PolarHBondContact O-N 3.44Å; R713-T717 VanDerWaalsContact O-N 3.07Å; R713-T717 PolarHBondContact O-OG1 3.35Å; D714-T717 WeakPolarHBondContact O-CB 3.29Å; D714-T717 PolarHBondContact O-N 3.48Å; L715-T717 VanDerWaalsContact C-N 3.31Å; T717-L721 WeakPolarHBondContact O-CG 3.18Å; T717-L721 PolarHBondContact O-N 3.03Å
718A83Confident82.2Confident0 Ų045 Ų450%026%0.258CS..Hα-helixtrans-63.4-45.4172.400000113.2V651 V654 I655 D714 L715 K716 C720 L721 I722V651-A718 HydrophobicContact CG1-CB 3.83Å; V654-A718 HydrophobicContact CG2-CB 4.12Å; I655-A718 HydrophobicContact CD1-CB 4.41Å; D714-A718 PolarHBondContact O-N 3.07Å; L715-A718 WeakPolarHBondContact O-CB 3.33Å; L715-A718 PolarHBondContact O-N 2.84Å; K716-A718 VanDerWaalsContact C-N 3.29Å; K716-A718 PolarHBondContact O-N 2.93Å; A718-C720 PolarHBondContact O-N 3.45Å; A718-L721 WeakPolarHBondContact O-CB 3.37Å; A718-L721 PolarHBondContact O-N 2.94Å; A718-L721 VanDerWaalsContact O-N 3.1Å; A718-I722 VanDerWaalsContact O-CG1 3.29Å; A718-I722 WeakPolarHBondContact O-CG1 3.42Å; A718-I722 PolarHBondContact O-N 3.34Å
719S82.9Confident82.4Confident0 Ų051.3 Ų51.30%029%0.285CS..Hα-helixtrans-66-38.2-178.769.30000112.3L715 K716 L721 I722 G723 D724 T728L715-S719 PolarHBondContact O-N 2.68Å; K716-S719 PolarHBondContact O-N 2.87Å; K716-S719 PolarHBondContact O-OG 3.41Å; S719-L721 VanDerWaalsContact C-N 3.32Å; S719-L721 PolarHBondContact O-N 2.94Å; S719-I722 PolarHBondContact O-N 2.85Å; S719-G723 PolarHBondContact O-N 3.24Å; S719-D724 PolarHBondContact O-N 2.91Å; S719-T728 VanDerWaalsContact CB-OG1 3.26Å; S719-T728 WeakPolarHBondContact CB-OG1 3.34Å; S719-T728 WeakPolarHBondContact OG-CA 3.35Å; S719-T728 WeakPolarHBondContact OG-CB 3.43Å; S719-T728 PolarHBondContact OG-OG1 3.1Å
720C84.9Confident82.3Confident78 Ų7854.6 Ų54.653%0.52730%0.303SS..Hα-helixtrans-61.8-35.4170.3-69.70000113K716 A718K716-C720 PolarHBondContact O-N 3.15Å; K716-C720 PolarHBondContact O-SG 3.34Å; K716-C720 VanDerWaalsContact O-SG 3.34Å; A718-C720 PolarHBondContact O-N 3.45Å
721L84.3Confident82.5Confident78 Ų7852 Ų5241%0.40829%0.29SS..Hα-helixtrans-75.4-26.1175.2-73.7173.3000113.5V651 V654 T717 A718 S719V651-L721 HydrophobicContact CG2-CB 4.31Å; V654-L721 HydrophobicContact CB-CD1 4.5Å; V654-L721 HydrophobicContact CG1-CD1 3.74Å; V654-L721 HydrophobicContact CG2-CD1 3.9Å; T717-L721 WeakPolarHBondContact O-CG 3.18Å; T717-L721 PolarHBondContact O-N 3.03Å; A718-L721 WeakPolarHBondContact O-CB 3.37Å; A718-L721 PolarHBondContact O-N 2.94Å; A718-L721 VanDerWaalsContact O-N 3.1Å; S719-L721 VanDerWaalsContact C-N 3.32Å; S719-L721 PolarHBondContact O-N 2.94Å
722I84.3Confident82.9Confident71 Ų7153.5 Ų53.536%0.36430%0.296SS..Hα-helixtrans-77.3-32.7173.3-67.1162.3000110.8V651 F662 A718 S719 D724V651-I722 HydrophobicContact CG1-CD1 4.32Å; V651-I722 HydrophobicContact CG2-CD1 4.25Å; V651-I722 HydrophobicContact CG2-CG1 3.67Å; F662-I722 HydrophobicContact CE1-CD1 3.79Å; F662-I722 HydrophobicContact CZ-CD1 3.99Å; A718-I722 VanDerWaalsContact O-CG1 3.29Å; A718-I722 WeakPolarHBondContact O-CG1 3.42Å; A718-I722 PolarHBondContact O-N 3.34Å; S719-I722 PolarHBondContact O-N 2.85Å; I722-D724 HydrophobicContact CG2-CB 4.14Å
723G82.1Confident82.9Confident60 Ų6057.2 Ų57.262%0.61932%0.316SS*.THydrogen-bonded Turntrans84.121.5-174.300000113.9S719 P725S719-G723 PolarHBondContact O-N 3.24Å; G723-P725 VanDerWaalsContact O-CD 3.29Å; G723-P725 WeakPolarHBondContact O-CD 3.46Å
724D80.7Confident82.8Confident57 Ų5753.2 Ų53.231%0.30530%0.301SS..  trans-90.3107.8176.4-176.3-18.7000110.5S719 I722 N726 L727 T728S719-D724 PolarHBondContact O-N 2.91Å; I722-D724 HydrophobicContact CG2-CB 4.14Å; D724-N726 WeakPolarHBondContact OD1-CA 3.29Å; D724-N726 WeakPolarHBondContact OD1-CB 3.36Å; D724-N726 PolarHBondContact OD1-N 3.21Å; D724-L727 HydrophobicContact CB-CB 3.95Å; D724-L727 VanDerWaalsContact CG-CB 3.47Å; D724-L727 PolarHBondContact OD1-N 2.68Å; D724-L727 WeakPolarHBondContact OD2-CB 3.49Å; D724-T728 WeakPolarHBondContact O-CB 3.44Å; D724-T728 PolarHBondContact O-N 3.41Å; D724-T728 VanDerWaalsContact O-N 3.08Å; D724-T728 PolarHBondContact O-OG1 3.08Å
725P83.5Confident82.9Confident93 Ų9353 Ų5360%0.60430%0.3SS*.Hα-helixtrans-73.4-27.5-179.831.3-35.6000112.7G723 K729G723-P725 VanDerWaalsContact O-CD 3.29Å; G723-P725 WeakPolarHBondContact O-CD 3.46Å; P725-K729 WeakPolarHBondContact O-CB 3.49Å; P725-K729 PolarHBondContact O-N 3.33Å
726N82.7Confident83Confident128 Ų12859 Ų5968%0.68433%0.332SS*.Hα-helixtrans-73.6-46-179.3-66.3-38.6000110.2D724 K729 L730D724-N726 WeakPolarHBondContact OD1-CA 3.29Å; D724-N726 WeakPolarHBondContact OD1-CB 3.36Å; D724-N726 PolarHBondContact OD1-N 3.21Å; N726-K729 PolarHBondContact O-N 2.81Å; N726-L730 WeakPolarHBondContact O-CB 3.28Å; N726-L730 PolarHBondContact O-N 3.26Å
727L79.8Confident82.9Confident19 Ų1957.7 Ų57.710%0.09933%0.333CS..Hα-helixtrans-61.9-44172.4179.661.6000111V670 L674 D724 K729 L730 V731V670-L727 HydrophobicContact CG1-CD1 3.68Å; V670-L727 HydrophobicContact CG2-CD1 3.92Å; V670-L727 HydrophobicContact CG2-CD2 4.32Å; L674-L727 HydrophobicContact CD1-CD1 4.31Å; D724-L727 HydrophobicContact CB-CB 3.95Å; D724-L727 VanDerWaalsContact CG-CB 3.47Å; D724-L727 PolarHBondContact OD1-N 2.68Å; D724-L727 WeakPolarHBondContact OD2-CB 3.49Å; L727-K729 PolarHBondContact O-N 3.45Å; L727-L730 PolarHBondContact O-N 3.33Å; L727-V731 HydrophobicContact CD1-CG2 3.98Å; L727-V731 HydrophobicContact CG-CG2 4.39Å; L727-V731 WeakPolarHBondContact O-CB 3.39Å; L727-V731 WeakPolarHBondContact O-CG2 3.4Å; L727-V731 PolarHBondContact O-N 3.25Å
728T82.3Confident82.8Confident23 Ų2354.9 Ų54.914%0.14132%0.315CS..Hα-helixtrans-60.6-45178.8-56.30000111.6S719 D724 V731 D732S719-T728 VanDerWaalsContact CB-OG1 3.26Å; S719-T728 WeakPolarHBondContact CB-OG1 3.34Å; S719-T728 WeakPolarHBondContact OG-CA 3.35Å; S719-T728 WeakPolarHBondContact OG-CB 3.43Å; S719-T728 PolarHBondContact OG-OG1 3.1Å; D724-T728 WeakPolarHBondContact O-CB 3.44Å; D724-T728 PolarHBondContact O-N 3.41Å; D724-T728 VanDerWaalsContact O-N 3.08Å; D724-T728 PolarHBondContact O-OG1 3.08Å; T728-V731 PolarHBondContact O-N 3.27Å; T728-D732 PolarHBondContact O-N 2.95Å
729K84.9Confident82.8Confident133 Ų13363 Ų6358%0.57835%0.346SS*.Hα-helixtrans-62.6-49.6175.5-172.7-169.5171.3-168.40111.9P725 N726 L727 V731 D732 D733P725-K729 WeakPolarHBondContact O-CB 3.49Å; P725-K729 PolarHBondContact O-N 3.33Å; N726-K729 PolarHBondContact O-N 2.81Å; L727-K729 PolarHBondContact O-N 3.45Å; K729-V731 PolarHBondContact O-N 3.36Å; K729-D732 PolarHBondContact O-N 3.47Å; K729-D733 VanDerWaalsContact CE-OD2 3.29Å; K729-D733 WeakPolarHBondContact CE-OD2 3.33Å; K729-D733 PolarHBondContact O-N 3.1Å
730L81.3Confident82.8Confident83 Ų8366 Ų6644%0.43536%0.357SS..Hα-helixtrans-58.7-37.2-178.8-177.966000112L674 N726 L727 T734L674-L730 HydrophobicContact CD1-CD2 3.64Å; L674-L730 HydrophobicContact CD1-CG 3.95Å; N726-L730 WeakPolarHBondContact O-CB 3.28Å; N726-L730 PolarHBondContact O-N 3.26Å; L727-L730 PolarHBondContact O-N 3.33Å; L730-T734 WeakPolarHBondContact O-CB 3.44Å; L730-T734 PolarHBondContact O-N 3.07Å; L730-T734 PolarHBondContact O-OG1 2.88Å
731V82.5Confident82.7Confident0 Ų064.7 Ų64.70%035%0.345CS..Hα-helixtrans-71.6-36.3175.7175.10000111.7L674 C712 L715 K716 L727 T728 K729 T734 L735L674-V731 HydrophobicContact CD1-CG2 4.09Å; C712-V731 HydrophobicContact CB-CG1 4.36Å; C712-V731 WeakPolarHBondContact O-CG1 3.28Å; L715-V731 HydrophobicContact CB-CG1 4.49Å; L715-V731 HydrophobicContact CD2-CG2 3.72Å; L715-V731 HydrophobicContact CG-CG2 3.85Å; K716-V731 HydrophobicContact CB-CG1 3.86Å; L727-V731 HydrophobicContact CD1-CG2 3.98Å; L727-V731 HydrophobicContact CG-CG2 4.39Å; L727-V731 WeakPolarHBondContact O-CB 3.39Å; L727-V731 WeakPolarHBondContact O-CG2 3.4Å; L727-V731 PolarHBondContact O-N 3.25Å; T728-V731 PolarHBondContact O-N 3.27Å; K729-V731 PolarHBondContact O-N 3.36Å; V731-T734 PolarHBondContact O-N 3.05Å; V731-L735 HydrophobicContact CG1-CD1 4.17Å; V731-L735 HydrophobicContact CG1-CG 4.5Å; V731-L735 WeakPolarHBondContact O-CB 3.44Å; V731-L735 VanDerWaalsContact O-CG 3.29Å; V731-L735 WeakPolarHBondContact O-CG 3.19Å; V731-L735 PolarHBondContact O-N 3.26Å
732D86.1Confident82.7Confident50 Ų5061.2 Ų61.227%0.26733%0.327SS..Hα-helixtrans-67.5-45.7173.1-94.5-31.6000112.8K716 T728 K729 T734 L735 L736K716-D732 WeakPolarHBondContact CD-OD1 3.44Å; K716-D732 WeakPolarHBondContact CE-OD1 3.32Å; K716-D732 WeakPolarHBondContact CE-OD2 3.26Å; K716-D732 IonicContact NZ-OD1 3.4Å; K716-D732 PolarHBondContact NZ-OD1 3.46Å; K716-D732 IonicContact NZ-OD2 3.75Å; K716-D732 PolarHBondContact NZ-OD2 3.03Å; T728-D732 PolarHBondContact O-N 2.95Å; K729-D732 PolarHBondContact O-N 3.47Å; D732-T734 PolarHBondContact O-N 3.38Å; D732-L735 PolarHBondContact O-N 2.77Å; D732-L735 VanDerWaalsContact O-N 3.16Å; D732-L736 WeakPolarHBondContact O-CG 3.42Å; D732-L736 PolarHBondContact O-N 2.85Å
733D82.8Confident82.7Confident77 Ų7758.4 Ų58.441%0.41231%0.313SS..Hα-helixtrans-57.1-39.6173.8-67.2-24.9000110.1K729 A737K729-D733 VanDerWaalsContact CE-OD2 3.29Å; K729-D733 WeakPolarHBondContact CE-OD2 3.33Å; K729-D733 PolarHBondContact O-N 3.1Å; D733-A737 WeakPolarHBondContact O-CB 3.05Å; D733-A737 PolarHBondContact O-N 2.96Å
734T80.4Confident82.8Confident7 Ų757.8 Ų57.84%0.04329%0.293CS..Hα-helixtrans-69-42.9175.2-580000112.7L674 F683 L730 V731 D732 L736 A737 I738L674-T734 HydrophobicContact CD2-CG2 3.79Å; F683-T734 HydrophobicContact CD2-CG2 4.11Å; F683-T734 HydrophobicContact CE2-CG2 3.78Å; L730-T734 WeakPolarHBondContact O-CB 3.44Å; L730-T734 PolarHBondContact O-N 3.07Å; L730-T734 PolarHBondContact O-OG1 2.88Å; V731-T734 PolarHBondContact O-N 3.05Å; D732-T734 PolarHBondContact O-N 3.38Å; T734-L736 VanDerWaalsContact C-N 3.29Å; T734-L736 PolarHBondContact O-N 2.77Å; T734-A737 PolarHBondContact O-N 3.33Å; T734-I738 HydrophobicContact CG2-CD1 3.73Å; T734-I738 HydrophobicContact CG2-CG1 4.34Å; T734-I738 WeakPolarHBondContact O-CD1 3.31Å; T734-I738 VanDerWaalsContact O-CG1 3.23Å; T734-I738 WeakPolarHBondContact O-CG1 3.12Å; T734-I738 PolarHBondContact O-N 3.4Å
735L83.9Confident83Confident21 Ų2157 Ų5711%0.1129%0.291CS..Hα-helixtrans-61.1-38176.1-79.9167.1000111.8C712 K716 V731 D732 R739C712-L735 HydrophobicContact CB-CD2 3.49Å; C712-L735 VanDerWaalsContact CB-CD2 3.49Å; C712-L735 HydrophobicContact CB-CG 3.85Å; K716-L735 HydrophobicContact CB-CD1 4.36Å; K716-L735 HydrophobicContact CD-CD1 4.2Å; V731-L735 HydrophobicContact CG1-CD1 4.17Å; V731-L735 HydrophobicContact CG1-CG 4.5Å; V731-L735 WeakPolarHBondContact O-CB 3.44Å; V731-L735 VanDerWaalsContact O-CG 3.29Å; V731-L735 WeakPolarHBondContact O-CG 3.19Å; V731-L735 PolarHBondContact O-N 3.26Å; D732-L735 PolarHBondContact O-N 2.77Å; D732-L735 VanDerWaalsContact O-N 3.16Å; L735-R739 VanDerWaalsContact O-CB 3.29Å; L735-R739 WeakPolarHBondContact O-CB 3.37Å; L735-R739 PolarHBondContact O-N 2.78Å; L735-R739 VanDerWaalsContact O-N 3.17Å
736L83.9Confident83Confident132 Ų13256.3 Ų56.369%0.69129%0.285SS*.Hα-helixtrans-66.9-45.6174.3-69.7169.9000111.7D732 T734 I738 R739D732-L736 WeakPolarHBondContact O-CG 3.42Å; D732-L736 PolarHBondContact O-N 2.85Å; T734-L736 VanDerWaalsContact C-N 3.29Å; T734-L736 PolarHBondContact O-N 2.77Å; L736-I738 VanDerWaalsContact C-N 3.32Å; L736-I738 PolarHBondContact O-N 2.77Å; L736-R739 PolarHBondContact O-N 2.93Å
737A80.7Confident83.1Confident38 Ų3850.8 Ų50.831%0.31426%0.256SS..Hα-helixtrans-64-33.7178.200000113.4F683 D733 T734 R740F683-A737 HydrophobicContact CB-CB 4.11Å; D733-A737 WeakPolarHBondContact O-CB 3.05Å; D733-A737 PolarHBondContact O-N 2.96Å; T734-A737 PolarHBondContact O-N 3.33Å; A737-R740 PolarHBondContact O-NE 3.04Å
738I81.2Confident83.5Confident4 Ų450.4 Ų50.42%0.02125%0.254CS..Hα-helixtrans-72.3-39.5176.2-67.7163.8000112F683 I705 V708 H709 T734 L736 R740 F744F683-I738 HydrophobicContact CD1-CG1 3.54Å; F683-I738 HydrophobicContact CD2-CD1 4.4Å; F683-I738 HydrophobicContact CD2-CG1 3.82Å; F683-I738 HydrophobicContact CE1-CD1 4.05Å; F683-I738 HydrophobicContact CE1-CG1 3.51Å; F683-I738 HydrophobicContact CE2-CD1 3.91Å; F683-I738 HydrophobicContact CE2-CG1 3.79Å; F683-I738 HydrophobicContact CG-CG1 3.76Å; F683-I738 HydrophobicContact CZ-CD1 3.75Å; F683-I738 HydrophobicContact CZ-CG1 3.67Å; I705-I738 HydrophobicContact CG2-CG2 3.54Å; V708-I738 HydrophobicContact CG1-CD1 4.18Å; H709-I738 HydrophobicContact CB-CG2 3.81Å; T734-I738 HydrophobicContact CG2-CD1 3.73Å; T734-I738 HydrophobicContact CG2-CG1 4.34Å; T734-I738 WeakPolarHBondContact O-CD1 3.31Å; T734-I738 VanDerWaalsContact O-CG1 3.23Å; T734-I738 WeakPolarHBondContact O-CG1 3.12Å; T734-I738 PolarHBondContact O-N 3.4Å; L736-I738 VanDerWaalsContact C-N 3.32Å; L736-I738 PolarHBondContact O-N 2.77Å; I738-R740 VanDerWaalsContact C-N 3.28Å; I738-R740 PolarHBondContact O-N 2.94Å; I738-F744 HydrophobicContact CG2-CE2 3.59Å; I738-F744 HydrophobicContact CG2-CZ 3.86Å; I738-F744 WeakPolarHBondContact O-CD2 3.27Å; I738-F744 VanDerWaalsContact O-CE2 3.23Å; I738-F744 WeakPolarHBondContact O-CE2 3.35Å
739R82.8Confident83.5Confident172 Ų17249.4 Ų49.465%0.64925%0.248SC*.SBendtrans-82.564.3-165.9-165.1-170.4170.7-175.8-2.6113.1L735 L736 F744L735-R739 VanDerWaalsContact O-CB 3.29Å; L735-R739 WeakPolarHBondContact O-CB 3.37Å; L735-R739 PolarHBondContact O-N 2.78Å; L735-R739 VanDerWaalsContact O-N 3.17Å; L736-R739 PolarHBondContact O-N 2.93Å; R739-F744 HydrophobicContact CG-CB 4.25Å; R739-F744 HydrophobicContact CG-CD1 4.24Å; R739-F744 HydrophobicContact CG-CD2 4.36Å; R739-F744 HydrophobicContact CG-CG 4.02Å
740R83.1Confident83.3Confident62 Ų6244 Ų4423%0.23423%0.225CC..  trans-133.7167.3-179.362.6178.2174.393.2-1.1114.4F683 T684 K685 A737 I738F683-R740 PolarHBondContact O-NE 3.11Å; F683-R740 VanDerWaalsContact O-NE 3.14Å; F683-R740 PolarHBondContact O-NH2 3.21Å; T684-R740 VanDerWaalsContact C-NH2 3.33Å; K685-R740 PolarHBondContact O-NH1 3.23Å; K685-R740 PolarHBondContact O-NH2 3.12Å; A737-R740 PolarHBondContact O-NE 3.04Å; I738-R740 VanDerWaalsContact C-N 3.28Å; I738-R740 PolarHBondContact O-N 2.94Å
741D82.3Confident82.7Confident51 Ų5145.7 Ų45.727%0.27323%0.231SC..G310 helixtrans54.6-153.1161.1-48-26.7000115.3N384 V743 F744 T745N384-D741 PolarHBondContact ND2-OD1 3.16Å; D741-V743 PolarHBondContact O-N 3.06Å; D741-F744 PolarHBondContact O-N 3.12Å; D741-T745 PolarHBondContact O-N 3.13Å; D741-T745 PolarHBondContact O-OG1 3.25Å; D741-T745 VanDerWaalsContact O-OG1 3.04Å
742I84.5Confident82.7Confident5 Ų548 Ų483%0.02624%0.242CC..G310 helixtrans-56.1-19.5-179.8-164.8163000114.7L383 D387 I393 L412 F687 T745L383-I742 HydrophobicContact CD1-CD1 4.48Å; L383-I742 HydrophobicContact CD2-CB 4.3Å; L383-I742 HydrophobicContact CD2-CD1 4.28Å; L383-I742 HydrophobicContact CD2-CG1 3.98Å; D387-I742 HydrophobicContact CB-CB 4.35Å; D387-I742 HydrophobicContact CB-CD1 4.39Å; D387-I742 PolarHBondContact OD2-N 3.3Å; I393-I742 HydrophobicContact CD1-CD1 3.81Å; L412-I742 HydrophobicContact CD1-CD1 3.79Å; L412-I742 HydrophobicContact CD2-CD1 3.89Å; L412-I742 HydrophobicContact CD2-CG1 4.17Å; L412-I742 HydrophobicContact CG-CD1 4.39Å; F687-I742 HydrophobicContact CB-CG2 3.86Å; F687-I742 HydrophobicContact CD1-CG2 3.69Å; F687-I742 HydrophobicContact CD2-CG2 3.86Å; F687-I742 HydrophobicContact CE1-CG2 4.2Å; F687-I742 HydrophobicContact CE2-CG2 4.34Å; F687-I742 HydrophobicContact CG-CG2 3.5Å; I742-T745 WeakPolarHBondContact CA-OG1 3.49Å
743V84.1Confident82.5Confident11 Ų1147.9 Ų47.97%0.06724%0.241CC..G310 helixtrans-71.5-33.6-178.3-171.10000112.1F687 V702 I705 Q706 D741F687-V743 HydrophobicContact CD2-CG2 4.11Å; F687-V743 HydrophobicContact CE2-CG2 4.4Å; V702-V743 HydrophobicContact CG1-CG1 4.1Å; V702-V743 HydrophobicContact CG2-CG2 4.42Å; I705-V743 HydrophobicContact CB-CG1 3.8Å; I705-V743 HydrophobicContact CD1-CG1 4.34Å; I705-V743 HydrophobicContact CD1-CG2 4.06Å; I705-V743 HydrophobicContact CG2-CG1 3.71Å; Q706-V743 HydrophobicContact CG-CG1 4.32Å; Q706-V743 PolarHBondContact NE2-O 3.38Å; D741-V743 PolarHBondContact O-N 3.06Å
744F85.1Confident82.5Confident48 Ų4846.3 Ų46.321%0.21123%0.232CC..SBendtrans-123.522-176.9-68.1-86.6000113.6I705 Q706 H709 I738 R739 D741I705-F744 HydrophobicContact CG2-CE2 4.26Å; Q706-F744 HydrophobicContact CG-CE1 4.03Å; Q706-F744 HydrophobicContact CG-CZ 4.06Å; H709-F744 HydrophobicContact CB-CE1 4.22Å; H709-F744 HydrophobicContact CB-CZ 3.66Å; H709-F744 AromaticContact CE1-CE1 3.94Å; H709-F744 AromaticContact CG-CE1 3.83Å; H709-F744 AromaticContact CG-CZ 3.68Å; H709-F744 AromaticContact ND1-CE1 3.69Å; I738-F744 HydrophobicContact CG2-CE2 3.59Å; I738-F744 HydrophobicContact CG2-CZ 3.86Å; I738-F744 WeakPolarHBondContact O-CD2 3.27Å; I738-F744 VanDerWaalsContact O-CE2 3.23Å; I738-F744 WeakPolarHBondContact O-CE2 3.35Å; R739-F744 HydrophobicContact CG-CB 4.25Å; R739-F744 HydrophobicContact CG-CD1 4.24Å; R739-F744 HydrophobicContact CG-CD2 4.36Å; R739-F744 HydrophobicContact CG-CG 4.02Å; D741-F744 PolarHBondContact O-N 3.12Å
745T84.5Confident82.6Confident41 Ų4148.6 Ų48.625%0.25224%0.243SC..PPolyproline II helixtrans-60.4137.2174.2-610000111.5L383 I414 D741 I742L383-T745 HydrophobicContact CD2-CG2 4.06Å; I414-T745 HydrophobicContact CD1-CG2 3.99Å; D741-T745 PolarHBondContact O-N 3.13Å; D741-T745 PolarHBondContact O-OG1 3.25Å; D741-T745 VanDerWaalsContact O-OG1 3.04Å; I742-T745 WeakPolarHBondContact CA-OG1 3.49Å
746T83.9Confident82.6Confident77 Ų7750.3 Ų50.347%0.47225%0.251SS..PPolyproline II helixtrans-56.5137.4180-49.80000112.4I750T746-I750 HydrophobicContact CG2-CB 4.39Å; T746-I750 HydrophobicContact CG2-CG2 4.31Å
747S86Confident82.5Confident13 Ų1344.9 Ų44.99%0.09122%0.222CC..PPolyproline II helixtrans-63.3135.5176.3173.90000112N150 E417 Y749 I750N150-S747 VanDerWaalsContact ND2-CB 3.34Å; N150-S747 WeakPolarHBondContact ND2-CB 3.41Å; N150-S747 PolarHBondContact ND2-OG 3.48Å; E417-S747 WeakPolarHBondContact OE1-CB 3.36Å; E417-S747 PolarHBondContact OE1-OG 2.92Å; E417-S747 WeakPolarHBondContact OE2-CA 3.36Å; E417-S747 WeakPolarHBondContact OE2-CB 3.29Å; E417-S747 PolarHBondContact OE2-OG 2.78Å; S747-Y749 PolarHBondContact O-N 2.81Å; S747-Y749 PolarHBondContact OG-N 3.4Å; S747-I750 PolarHBondContact O-N 3.17Å
748L86.8Confident82.6Confident11 Ų1145.4 Ų45.46%0.05822%0.215CC..THydrogen-bonded Turntrans-65.5-3.9177.6-52.6-175.3000113.4F375 R382 I414 E417 A418 I421F375-L748 HydrophobicContact CZ-CD1 4.46Å; R382-L748 VanDerWaalsContact NH1-CD2 3.28Å; I414-L748 HydrophobicContact CD1-CD2 4.09Å; I414-L748 HydrophobicContact CG1-CD1 4.12Å; I414-L748 HydrophobicContact CG1-CD2 3.94Å; I414-L748 HydrophobicContact CG1-CG 4.09Å; E417-L748 HydrophobicContact CB-CB 4.15Å; E417-L748 HydrophobicContact CB-CD1 4.01Å; E417-L748 HydrophobicContact CB-CG 4.11Å; E417-L748 PolarHBondContact OE2-N 3.29Å; A418-L748 HydrophobicContact CB-CD1 3.92Å; I421-L748 HydrophobicContact CD1-CB 3.79Å; I421-L748 HydrophobicContact CD1-CD1 4.33Å
749Y83.3Confident82.7Confident2 Ų248.5 Ų48.51%0.00823%0.23CC..THydrogen-bonded Turntrans-100.2-12176.1-76.4-69.7000114.1Q151 R154 E417 I421 M443 S747Q151-Y749 HydrophobicContact CB-CD1 4.41Å; Q151-Y749 HydrophobicContact CB-CE1 4.36Å; Q151-Y749 HydrophobicContact CG-CE1 4.17Å; R154-Y749 HydrophobicContact CB-CD1 4.24Å; R154-Y749 WeakPolarHBondContact CB-O 3.15Å; E417-Y749 HydrophobicContact CB-CD2 4.29Å; E417-Y749 HydrophobicContact CB-CE2 4.1Å; E417-Y749 HydrophobicContact CG-CD2 4.01Å; E417-Y749 HydrophobicContact CG-CE2 4.02Å; I421-Y749 HydrophobicContact CD1-CE1 4.47Å; I421-Y749 HydrophobicContact CG1-CE1 4.13Å; M443-Y749 WeakPolarHBondContact CE-OH 3.49Å; S747-Y749 PolarHBondContact O-N 2.81Å; S747-Y749 PolarHBondContact OG-N 3.4Å
750I80.9Confident82.7Confident18 Ų1838.3 Ų38.39%0.09220%0.195CC..THydrogen-bonded Turntrans-88.9-33.4-173.8-74.6179.5000112.3K157 L165 V170 L172 T746 S747K157-I750 PolarHBondContact NZ-O 3.18Å; L165-I750 HydrophobicContact CD2-CD1 3.71Å; L165-I750 HydrophobicContact CD2-CG1 3.83Å; V170-I750 HydrophobicContact CG1-CD1 4.12Å; V170-I750 HydrophobicContact CG2-CD1 4.37Å; L172-I750 HydrophobicContact CD1-CG2 3.48Å; L172-I750 VanDerWaalsContact CD1-CG2 3.48Å; T746-I750 HydrophobicContact CG2-CB 4.39Å; T746-I750 HydrophobicContact CG2-CG2 4.31Å; S747-I750 PolarHBondContact O-N 3.17Å
751E68.1Low82.7Confident120 Ų12036.1 Ų36.156%0.56119%0.192SC*.  trans-69.40172.6-66.6168.2-145.500111.6K157 R382K157-E751 PolarHBondContact NZ-O 2.95Å; R382-E751 IonicContact CZ-OE1 2.71Å; R382-E751 IonicContact CZ-OE2 2.66Å; R382-E751 IonicContact NH1-OE1 3.72Å; R382-E751 PolarHBondContact NH1-OE1 3.27Å; R382-E751 IonicContact NH1-OE2 2.64Å; R382-E751 PolarHBondContact NH1-OE2 2.83Å; R382-E751 IonicContact NH2-OE2 2.69Å; R382-E751 PolarHBondContact NH2-OE2 2.8Å

Retrieved 751 of 751 residues in 774 ms (Link to these results)

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