A0A077ZAW3_TRITR Loading...

RNA polymerase II subunit A C-terminal domain phosphatase

This promotes the activity of RNA polymerase II.

AlphaFold DB , UniProt , Accession A0A077ZAW3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 614 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
1M42Very low82.6Confident218 Ų21871.9 Ų71.9100%1.07440%0.398SS*.  0-1.20-73.4-159.4-82.500113.6D3M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 2.86Å
2A51.8Low82.7Confident102 Ų10275.3 Ų75.384%0.84341%0.409SS*.THydrogen-bonded Turntrans-67.6-22.8-176.100000114.6
3D78.6Confident82.1Confident46 Ų4679.1 Ų79.125%0.24644%0.439CS..THydrogen-bonded Turntrans-114.926.9-176.2-56.6-25000112.7M1 N78 E79 R107M1-D3 VanDerWaalsContact C-N 3.28Å; M1-D3 PolarHBondContact O-N 2.86Å; D3-N78 CarbonylContact O-C 3.51Å; D3-N78 WeakPolarHBondContact O-CA 3.31Å; D3-E79 HydrophobicContact CB-CB 4.41Å; D3-E79 WeakPolarHBondContact O-CG 3.22Å; D3-E79 PolarHBondContact O-N 2.82Å; D3-R107 IonicContact OD2-CZ 3.58Å; D3-R107 IonicContact OD2-NH1 3.99Å; D3-R107 IonicContact OD2-NH2 3.6Å; D3-R107 PolarHBondContact OD2-NH2 2.93Å
4S88.3Confident81.7Confident46 Ų4687.2 Ų87.232%0.32247%0.472SS..EExtended strand (participates in β ladder)trans-106.9138.7-177.7-500000111.2M77 N78S4-M77 CarbonylContact C-O 3.52Å; S4-M77 WeakPolarHBondContact CA-O 3.43Å; S4-N78 PolarHBondContact OG-OD1 2.98Å
5F93.2Very high81.5Confident22 Ų2283.1 Ų83.110%0.09646%0.455CS..EExtended strand (participates in β ladder)trans-126.8151.4174.767.8-86.5000111.7V7 F51 K52 M77 E79F5-V7 HydrophobicContact CD2-CG2 4.4Å; F5-V7 HydrophobicContact CE2-CG2 4.06Å; F5-F51 HydrophobicContact CD2-CE1 4.23Å; F5-F51 AromaticContact CD2-CZ 3.7Å; F5-F51 HydrophobicContact CD2-CZ 3.7Å; F5-F51 HydrophobicContact CE2-CE1 4.04Å; F5-F51 AromaticContact CE2-CZ 3.75Å; F5-F51 HydrophobicContact CE2-CZ 3.75Å; F5-K52 VanDerWaalsContact CD2-CE 3.47Å; F5-K52 HydrophobicContact CE1-CD 4.43Å; F5-K52 HydrophobicContact CE1-CG 4.45Å; F5-K52 HydrophobicContact CE2-CD 4.36Å; F5-K52 HydrophobicContact CE2-CG 3.97Å; F5-K52 HydrophobicContact CZ-CD 4.24Å; F5-K52 VanDerWaalsContact CZ-CE 3.43Å; F5-K52 HydrophobicContact CZ-CG 3.83Å; F5-M77 HydrophobicContact CD1-CB 4.19Å; F5-M77 WeakPolarHBondContact CD1-O 3.33Å; F5-M77 HydrophobicContact CD2-CB 4.27Å; F5-M77 HydrophobicContact CE1-CB 3.68Å; F5-M77 HydrophobicContact CE2-CB 3.77Å; F5-M77 HydrophobicContact CE2-CG 4.32Å; F5-M77 HydrophobicContact CE2-SD 3.99Å; F5-M77 HydrophobicContact CG-CB 4.48Å; F5-M77 HydrophobicContact CZ-CB 3.46Å; F5-M77 VanDerWaalsContact CZ-CB 3.46Å; F5-M77 HydrophobicContact CZ-CE 4.44Å; F5-M77 HydrophobicContact CZ-CG 4.27Å; F5-M77 HydrophobicContact CZ-SD 3.98Å; F5-M77 PolarHBondContact N-O 3.49Å; F5-M77 PolarHBondContact O-N 2.85Å; F5-E79 HydrophobicContact CD1-CG 3.78Å; F5-E79 HydrophobicContact CE1-CG 4.21Å
6V94.8Very high81.9Confident78 Ų7883 Ų8347%0.47346%0.457SS..EExtended strand (participates in β ladder)trans-98135.4-178-178.30000110.2V73V6-V73 HydrophobicContact CG1-CB 4.21Å; V6-V73 HydrophobicContact CG1-CG1 3.6Å; V6-V73 HydrophobicContact CG1-CG2 3.8Å
7V95.1Very high82.6Confident2 Ų278.4 Ų78.41%0.01243%0.433CS..EExtended strand (participates in β ladder)trans-100.3111.3168.7-175.80000107.8F5 L36 F48 F51 M74 A75 M77F5-V7 HydrophobicContact CD2-CG2 4.4Å; F5-V7 HydrophobicContact CE2-CG2 4.06Å; V7-L36 HydrophobicContact CG1-CD1 3.91Å; V7-L36 HydrophobicContact CG2-CD1 4.41Å; V7-F48 HydrophobicContact CG1-CE1 3.65Å; V7-F48 HydrophobicContact CG1-CZ 4.2Å; V7-F51 HydrophobicContact CG2-CE1 4.15Å; V7-M74 WeakPolarHBondContact O-CA 3.49Å; V7-M74 WeakPolarHBondContact O-CB 3.28Å; V7-M74 PolarHBondContact O-N 3.42Å; V7-A75 HydrophobicContact CB-CB 4.23Å; V7-A75 HydrophobicContact CG2-CB 4.42Å; V7-A75 PolarHBondContact N-O 2.71Å; V7-A75 PolarHBondContact O-N 3.32Å; V7-M77 HydrophobicContact CG2-CG 3.96Å; V7-M77 HydrophobicContact CG2-SD 3.52Å; V7-M77 VanDerWaalsContact CG2-SD 3.52Å
8S95.6Very high83.3Confident40 Ų4079.4 Ų79.428%0.2843%0.432SS..EExtended strand (participates in β ladder)trans-102.9147.9174.6-61.60000111.8G71 D72S8-G71 PolarHBondContact OG-O 3.15Å; S8-D72 CarbonylContact C-O 3.5Å; S8-D72 WeakPolarHBondContact CA-O 3.35Å
9F95.4Very high84.1Confident3 Ų375.7 Ų75.71%0.01341%0.411CS..  trans-65.8134.2173-175.7-111000110.6A17 F37 Y39 F48 L68 N69 G71 D72 M74F9-A17 HydrophobicContact CE1-CB 3.71Å; F9-A17 HydrophobicContact CE2-CB 4.43Å; F9-A17 HydrophobicContact CZ-CB 3.38Å; F9-F37 HydrophobicContact CD2-CE2 4.38Å; F9-F37 HydrophobicContact CD2-CZ 4.05Å; F9-Y39 HydrophobicContact CE2-CD1 4.2Å; F9-Y39 HydrophobicContact CE2-CD2 4.18Å; F9-Y39 HydrophobicContact CE2-CE1 4.18Å; F9-Y39 HydrophobicContact CE2-CE2 4.16Å; F9-Y39 HydrophobicContact CE2-CG 4.19Å; F9-Y39 HydrophobicContact CZ-CD2 4.19Å; F9-Y39 HydrophobicContact CZ-CE2 4.08Å; F9-F48 HydrophobicContact CD2-CD2 4.01Å; F9-F48 HydrophobicContact CD2-CE2 4.05Å; F9-F48 HydrophobicContact CE2-CD2 4.26Å; F9-L68 HydrophobicContact CD1-CB 3.72Å; F9-L68 HydrophobicContact CD2-CB 4.46Å; F9-L68 HydrophobicContact CD2-CD1 3.96Å; F9-L68 HydrophobicContact CE1-CB 3.76Å; F9-L68 HydrophobicContact CE2-CB 4.49Å; F9-L68 HydrophobicContact CE2-CD1 3.92Å; F9-L68 HydrophobicContact CG-CB 4.09Å; F9-L68 HydrophobicContact CG-CD1 4.35Å; F9-L68 HydrophobicContact CZ-CB 4.16Å; F9-L68 HydrophobicContact CZ-CD1 4.27Å; F9-N69 WeakPolarHBondContact CD1-O 3.38Å; F9-G71 PolarHBondContact O-N 3.15Å; F9-D72 HydrophobicContact CB-CB 4.36Å; F9-D72 PolarHBondContact N-O 3.44Å; F9-M74 HydrophobicContact CB-CG 3.8Å; F9-M74 HydrophobicContact CB-SD 3.84Å
10R90.2Very high84.6Confident213 Ų21373.2 Ų73.280%0.80440%0.404SS*.  trans-139.288.6174.3-69.2-164.2-177.3-152.72.4109.6N70R10-N70 WeakPolarHBondContact CA-OD1 3.24Å
11G84.4Confident85.2Confident21 Ų2172 Ų7222%0.21640%0.401CS..  trans-96.2177168.500000112.8N70G11-N70 PolarHBondContact N-OD1 2.75Å; G11-N70 PolarHBondContact O-ND2 2.89Å; G11-N70 PolarHBondContact O-OD1 3.19Å
12E82.7Confident87.8Confident113 Ų11364.5 Ų64.553%0.52836%0.36SS..  trans-65.7141.4173.9-79.1173.6-157.500111.1E14 A15 R41E12-E14 PolarHBondContact O-N 2.83Å; E12-E14 VanDerWaalsContact O-N 3.12Å; E12-A15 HydrophobicContact CB-CB 4.22Å; E12-A15 PolarHBondContact O-N 3.34Å; E12-R41 IonicContact OE1-CZ 3.96Å; E12-R41 IonicContact OE1-NH1 2.83Å; E12-R41 PolarHBondContact OE1-NH1 3.5Å; E12-R41 IonicContact OE2-NH1 3.19Å; E12-R41 PolarHBondContact OE2-NH1 3.04Å
13P75Confident90Very high124 Ų12465.4 Ų65.481%0.80535%0.345SS*.THydrogen-bonded Turntrans-59.2-29-170-23.132000115.4
14E76.3Confident90.8Very high193 Ų19364.3 Ų64.390%0.90234%0.34SS*.THydrogen-bonded Turntrans-106.4-4.5-171.9-61.2-173.2175.300113.5E12E12-E14 PolarHBondContact O-N 2.83Å; E12-E14 VanDerWaalsContact O-N 3.12Å
15A79.6Confident91.2Very high26 Ų2667.9 Ų67.922%0.21535%0.353CS..SBendtrans-96.4128.8-175.100000111.6E12 A17 R41E12-A15 HydrophobicContact CB-CB 4.22Å; E12-A15 PolarHBondContact O-N 3.34Å; A15-A17 PolarHBondContact O-N 3.12Å; A15-R41 HydrophobicContact CB-CG 3.83Å
16V87.9Confident91.3Very high81 Ų8170.9 Ų70.949%0.49138%0.375SS..  trans-73114.7174.6-179.60000109.1Q67V16-Q67 HydrophobicContact CG1-CG 4.43Å
17A94Very high91.1Very high5 Ų569.9 Ų69.94%0.04138%0.38CS..EExtended strand (participates in β ladder)trans-102.5134.8175.100000110.9F9 A15 Y39 E40 Q67 L68F9-A17 HydrophobicContact CE1-CB 3.71Å; F9-A17 HydrophobicContact CE2-CB 4.43Å; F9-A17 HydrophobicContact CZ-CB 3.38Å; A15-A17 PolarHBondContact O-N 3.12Å; A17-Y39 HydrophobicContact CB-CD2 3.86Å; A17-Y39 HydrophobicContact CB-CE2 4.25Å; A17-E40 VanDerWaalsContact CA-O 3.31Å; A17-E40 WeakPolarHBondContact CA-O 3.21Å; A17-Q67 WeakPolarHBondContact O-CA 3.23Å; A17-L68 HydrophobicContact CB-CB 4.19Å; A17-L68 PolarHBondContact O-N 3.34Å
18K95.3Very high90.9Very high97 Ų9775.6 Ų75.642%0.42241%0.405SS..EExtended strand (participates in β ladder)trans-122.1131.3174.6-67.3-179.9-177.6176.10110.9G20 Y39 E40 Q66K18-G20 PolarHBondContact O-N 3.32Å; K18-Y39 CarbonylContact O-C 3.41Å; K18-Y39 WeakPolarHBondContact O-CA 3.17Å; K18-Y39 VanDerWaalsContact O-CB 3.28Å; K18-Y39 WeakPolarHBondContact O-CB 3.33Å; K18-E40 HydrophobicContact CB-CB 4.5Å; K18-E40 PolarHBondContact N-O 3.3Å; K18-E40 PolarHBondContact O-N 3.48Å; K18-Q66 CarbonylContact C-O 3.36Å; K18-Q66 WeakPolarHBondContact CA-O 3.28Å
19F97.2Very high90.7Very high8 Ų876.3 Ų76.34%0.03541%0.413CS..EExtended strand (participates in β ladder)trans-58.7135.1177-177.6-103000111W22 F37 L62 A64 G65 Q66 L68 M74F19-W22 HydrophobicContact CE2-CD2 4.21Å; F19-W22 AromaticContact CE2-CE2 3.93Å; F19-W22 HydrophobicContact CE2-CZ2 4.19Å; F19-W22 AromaticContact CZ-CD1 3.61Å; F19-W22 HydrophobicContact CZ-CD2 4Å; F19-W22 AromaticContact CZ-CE2 3.77Å; F19-W22 AromaticContact CZ-CG 3.88Å; F19-W22 HydrophobicContact CZ-CG 3.88Å; F19-W22 HydrophobicContact CZ-CZ2 4.45Å; F19-W22 AromaticContact CZ-NE1 3.54Å; F19-F37 AromaticContact CD2-CD2 3.89Å; F19-F37 HydrophobicContact CD2-CD2 3.89Å; F19-F37 HydrophobicContact CD2-CE2 4.44Å; F19-F37 HydrophobicContact CD2-CG 4.42Å; F19-F37 HydrophobicContact CE2-CB 3.79Å; F19-F37 AromaticContact CE2-CD2 3.86Å; F19-F37 HydrophobicContact CE2-CD2 3.86Å; F19-F37 AromaticContact CE2-CG 3.93Å; F19-F37 HydrophobicContact CE2-CG 3.93Å; F19-F37 HydrophobicContact CZ-CB 4.48Å; F19-L62 HydrophobicContact CD1-CB 3.8Å; F19-L62 HydrophobicContact CD2-CB 4.31Å; F19-L62 HydrophobicContact CD2-CD1 3.76Å; F19-L62 HydrophobicContact CE1-CB 3.93Å; F19-L62 HydrophobicContact CE2-CB 4.43Å; F19-L62 HydrophobicContact CE2-CD1 3.99Å; F19-L62 HydrophobicContact CG-CB 3.99Å; F19-L62 HydrophobicContact CG-CD1 4.14Å; F19-L62 HydrophobicContact CZ-CB 4.25Å; F19-A64 CarbonylContact O-C 3.56Å; F19-G65 PolarHBondContact O-N 3.07Å; F19-Q66 PolarHBondContact N-O 3.23Å; F19-L68 HydrophobicContact CB-CD1 4.16Å; F19-L68 HydrophobicContact CB-CD2 4.06Å; F19-L68 HydrophobicContact CB-CG 4.14Å; F19-M74 HydrophobicContact CD2-CE 4.07Å; F19-M74 HydrophobicContact CE2-CE 4.41Å
20G95.9Very high90.6Very high26 Ų2676.3 Ų76.327%0.26841%0.414SS..EExtended strand (participates in β ladder)trans-99.8-84.7175.300000110.9K18 T38 A64K18-G20 PolarHBondContact O-N 3.32Å; G20-T38 VanDerWaalsContact CA-O 3.23Å; G20-T38 WeakPolarHBondContact CA-O 3.36Å; G20-T38 PolarHBondContact N-O 2.92Å; G20-A64 WeakPolarHBondContact O-CB 3.47Å
21C96.4Very high90.6Very high49 Ų4969.6 Ų69.633%0.33140%0.397SS..EExtended strand (participates in β ladder)trans-153.8152.2179.465.90000112.3K23 F37 T38C21-K23 VanDerWaalsContact SG-CE 3.56Å; C21-K23 PolarHBondContact SG-NZ 2.79Å; C21-F37 CarbonylContact O-C 3.57Å; C21-F37 WeakPolarHBondContact O-CA 3.45Å; C21-F37 VanDerWaalsContact O-CB 3.27Å; C21-F37 WeakPolarHBondContact O-CB 3.47Å; C21-T38 PolarHBondContact N-O 2.72Å; C21-T38 PolarHBondContact N-OG1 2.95Å; C21-T38 PolarHBondContact O-N 3.26Å; C21-T38 PolarHBondContact SG-OG1 3.49Å; C21-T38 VanDerWaalsContact SG-OG1 3.34Å
22W97.4Very high90.9Very high59 Ų5976.2 Ų76.222%0.22342%0.42CS..EExtended strand (participates in β ladder)trans-67.5142169.3-70.1113.3000111F19 V24 L36 F37 L59 A60 L62 M74F19-W22 HydrophobicContact CE2-CD2 4.21Å; F19-W22 AromaticContact CE2-CE2 3.93Å; F19-W22 HydrophobicContact CE2-CZ2 4.19Å; F19-W22 AromaticContact CZ-CD1 3.61Å; F19-W22 HydrophobicContact CZ-CD2 4Å; F19-W22 AromaticContact CZ-CE2 3.77Å; F19-W22 AromaticContact CZ-CG 3.88Å; F19-W22 HydrophobicContact CZ-CG 3.88Å; F19-W22 HydrophobicContact CZ-CZ2 4.45Å; F19-W22 AromaticContact CZ-NE1 3.54Å; W22-V24 HydrophobicContact CE3-CG2 4.2Å; W22-L36 HydrophobicContact CZ3-CB 4.48Å; W22-F37 HydrophobicContact CD2-CB 4.25Å; W22-F37 HydrophobicContact CE3-CB 3.7Å; W22-F37 HydrophobicContact CE3-CD1 4.15Å; W22-F37 HydrophobicContact CE3-CG 4.32Å; W22-F37 AromaticContact CH2-CD1 3.98Å; W22-F37 HydrophobicContact CH2-CD1 3.98Å; W22-F37 HydrophobicContact CZ3-CB 3.96Å; W22-F37 AromaticContact CZ3-CD1 3.5Å; W22-F37 HydrophobicContact CZ3-CD1 3.5Å; W22-F37 HydrophobicContact CZ3-CE1 4.37Å; W22-F37 HydrophobicContact CZ3-CG 4.07Å; W22-L59 HydrophobicContact CB-CD1 4.47Å; W22-L59 HydrophobicContact CD2-CB 4.41Å; W22-L59 HydrophobicContact CD2-CD1 3.86Å; W22-L59 HydrophobicContact CD2-CD2 4.19Å; W22-L59 HydrophobicContact CD2-CG 4.38Å; W22-L59 HydrophobicContact CE3-CD1 4.14Å; W22-L59 HydrophobicContact CE3-CD2 3.8Å; W22-L59 HydrophobicContact CE3-CG 4.46Å; W22-L59 HydrophobicContact CG-CD1 3.98Å; W22-L59 HydrophobicContact CH2-CB 4.48Å; W22-L59 HydrophobicContact CH2-CD2 3.92Å; W22-L59 HydrophobicContact CZ2-CB 4Å; W22-L59 HydrophobicContact CZ2-CD2 4.26Å; W22-L59 HydrophobicContact CZ3-CD2 3.66Å; W22-A60 HydrophobicContact CZ2-CB 4.4Å; W22-A60 PolarHBondContact NE1-O 2.77Å; W22-L62 HydrophobicContact CZ2-CD1 4.2Å; W22-M74 HydrophobicContact CH2-CB 4.06Å; W22-M74 WeakPolarHBondContact CH2-O 3.5Å; W22-M74 WeakPolarHBondContact CZ2-O 3.27Å
23K97.1Very high91.4Very high122 Ų12272.5 Ų72.553%0.5341%0.413SS..SBendtrans-110.62.2171.4-60.3-56.8-175.8-172.10112.4C21 T35 L36 T38C21-K23 VanDerWaalsContact SG-CE 3.56Å; C21-K23 PolarHBondContact SG-NZ 2.79Å; K23-T35 HydrophobicContact CB-CG2 4.26Å; K23-T35 HydrophobicContact CG-CG2 3.81Å; K23-L36 PolarHBondContact N-O 3.38Å; K23-T38 HydrophobicContact CG-CG2 4.39Å
24V96.4Very high92.3Very high22 Ų2268.7 Ų68.713%0.13339%0.389CS..  trans-133.3166-179-610000110.5W22 V30 L36 V56 L59W22-V24 HydrophobicContact CE3-CG2 4.2Å; V24-V30 HydrophobicContact CB-CG2 4.31Å; V24-V30 HydrophobicContact CG1-CG2 3.79Å; V24-L36 HydrophobicContact CG1-CD2 4.18Å; V24-L36 HydrophobicContact CG2-CD2 3.91Å; V24-V56 HydrophobicContact CB-CG2 4.23Å; V24-V56 HydrophobicContact CG2-CG2 3.96Å; V24-L59 HydrophobicContact CG2-CD1 4.47Å; V24-L59 HydrophobicContact CG2-CD2 4.13Å
25M95.5Very high93.3Very high122 Ų12261.1 Ų61.160%0.60136%0.356SS*.  trans-131.7155.5177.2-63.3-169.4-6500110.5K28 V56M25-K28 HydrophobicContact CB-CG 4.44Å; M25-K28 WeakPolarHBondContact O-CB 3.28Å; M25-K28 PolarHBondContact O-N 3.21Å; M25-V56 WeakPolarHBondContact O-CB 3.31Å
26P94.9Very high94.1Very high84 Ų8459.9 Ų59.955%0.54535%0.346SS..THydrogen-bonded Turntrans-50.8142.3171.2-26.435.8000112.7K28 L59P26-K28 VanDerWaalsContact C-N 3.29Å; P26-K28 PolarHBondContact O-N 3.45Å; P26-L59 HydrophobicContact CG-CG 4.47Å
27G90.5Very high94.5Very high57 Ų5756 Ų5659%0.58832%0.322SS*.THydrogen-bonded Turntrans81.4-9.6-176.500000115.5V56G27-V56 PolarHBondContact N-O 3.27Å
28K91.2Very high94.6Very high123 Ų12356.4 Ų56.454%0.53532%0.324SS..  trans-85.7136.7179.6-67-64.8-175-177.30112.4M25 P26 V56M25-K28 HydrophobicContact CB-CG 4.44Å; M25-K28 WeakPolarHBondContact O-CB 3.28Å; M25-K28 PolarHBondContact O-N 3.21Å; P26-K28 VanDerWaalsContact C-N 3.29Å; P26-K28 PolarHBondContact O-N 3.45Å; K28-V56 PolarHBondContact O-N 2.89Å
29A91Very high94.7Very high55 Ų5552.9 Ų52.946%0.45531%0.308SS..EExtended strand (participates in β ladder)trans-70.2136.416800000110.6Y53A29-Y53 HydrophobicContact CB-CE2 4.12Å; A29-Y53 VanDerWaalsContact CB-OH 3.24Å; A29-Y53 WeakPolarHBondContact CB-OH 3.31Å
30V93Very high94.6Very high3 Ų357 Ų572%0.01833%0.327CS..EExtended strand (participates in β ladder)trans-125.6108.6-179.1-174.70000108.8V24 L36 A50 Y53 G54 V56 M77V24-V30 HydrophobicContact CB-CG2 4.31Å; V24-V30 HydrophobicContact CG1-CG2 3.79Å; V30-L36 HydrophobicContact CB-CD2 4.32Å; V30-L36 HydrophobicContact CG1-CD2 3.78Å; V30-L36 HydrophobicContact CG2-CD2 4.05Å; V30-A50 HydrophobicContact CG1-CB 3.73Å; V30-Y53 WeakPolarHBondContact O-CA 3.32Å; V30-G54 PolarHBondContact N-O 2.93Å; V30-G54 PolarHBondContact O-N 2.96Å; V30-V56 HydrophobicContact CG2-CG2 3.64Å; V30-M77 HydrophobicContact CB-CE 3.83Å; V30-M77 HydrophobicContact CG2-CE 4Å
31P91.2Very high94.4Very high71 Ų7158.9 Ų58.946%0.46133%0.326SS..  trans-63.7151.4174.1-20.130.3000112.1G33 S34P31-G33 PolarHBondContact O-N 2.86Å; P31-S34 WeakPolarHBondContact CD-OG 3.4Å; P31-S34 VanDerWaalsContact O-CB 3.25Å; P31-S34 WeakPolarHBondContact O-CB 3.31Å; P31-S34 PolarHBondContact O-N 3.25Å; P31-S34 VanDerWaalsContact O-N 3.07Å; P31-S34 PolarHBondContact O-OG 3.4Å
32K90.4Very high94Very high160 Ų16062.5 Ų62.570%0.69634%0.343SS*.THydrogen-bonded Turntrans-51.9132.4170.9178.7175.9179.8-176.50110.5S34 F51K32-S34 VanDerWaalsContact C-N 3.33Å; K32-F51 WeakPolarHBondContact CD-O 3.48Å; K32-F51 WeakPolarHBondContact CE-O 3.41Å; K32-F51 WeakPolarHBondContact CG-O 3.43Å
33G92.5Very high93.4Very high36 Ų3662.9 Ų62.937%0.37136%0.364SS..THydrogen-bonded Turntrans86.9-7.9-179.900000115.2P31 K49 A50P31-G33 PolarHBondContact O-N 2.86Å; G33-K49 VanDerWaalsContact O-CD 3.28Å; G33-K49 WeakPolarHBondContact O-CD 3.37Å; G33-K49 WeakPolarHBondContact O-CG 3.42Å; G33-A50 PolarHBondContact N-O 2.78Å
34S94.7Very high93.2Very high43 Ų4363.5 Ų63.530%0.30137%0.369SS..  trans-73.2144.7175.4-54.20000111.1P31 K32 L36 K49 A50P31-S34 WeakPolarHBondContact CD-OG 3.4Å; P31-S34 VanDerWaalsContact O-CB 3.25Å; P31-S34 WeakPolarHBondContact O-CB 3.31Å; P31-S34 PolarHBondContact O-N 3.25Å; P31-S34 VanDerWaalsContact O-N 3.07Å; P31-S34 PolarHBondContact O-OG 3.4Å; K32-S34 VanDerWaalsContact C-N 3.33Å; S34-L36 PolarHBondContact O-N 3.2Å; S34-K49 CarbonylContact O-C 3.6Å; S34-K49 VanDerWaalsContact O-CA 3.31Å; S34-K49 WeakPolarHBondContact O-CA 3.28Å; S34-A50 PolarHBondContact O-N 2.92Å
35T96.8Very high93.1Very high34 Ų3467.1 Ų67.121%0.20939%0.391CS..EExtended strand (participates in β ladder)trans-72.1123.4178.3-60.20000110.4K23 F37 T38 N47 F48K23-T35 HydrophobicContact CB-CG2 4.26Å; K23-T35 HydrophobicContact CG-CG2 3.81Å; T35-F37 VanDerWaalsContact CG2-O 3.32Å; T35-F37 WeakPolarHBondContact CG2-O 3.5Å; T35-T38 HydrophobicContact CG2-CG2 4.5Å; T35-N47 HydrophobicContact CG2-CB 3.88Å; T35-N47 WeakPolarHBondContact CG2-OD1 3.49Å; T35-N47 WeakPolarHBondContact OG1-CB 3.29Å; T35-F48 WeakPolarHBondContact CA-O 3.39Å
36L96.6Very high93.1Very high1 Ų163 Ų631%0.00537%0.373CS..EExtended strand (participates in β ladder)trans-82.1-48.1172.2-71.4170.7000110.8V7 W22 K23 V24 V30 S34 F48 A50 M77V7-L36 HydrophobicContact CG1-CD1 3.91Å; V7-L36 HydrophobicContact CG2-CD1 4.41Å; W22-L36 HydrophobicContact CZ3-CB 4.48Å; K23-L36 PolarHBondContact N-O 3.38Å; V24-L36 HydrophobicContact CG1-CD2 4.18Å; V24-L36 HydrophobicContact CG2-CD2 3.91Å; V30-L36 HydrophobicContact CB-CD2 4.32Å; V30-L36 HydrophobicContact CG1-CD2 3.78Å; V30-L36 HydrophobicContact CG2-CD2 4.05Å; S34-L36 PolarHBondContact O-N 3.2Å; L36-F48 HydrophobicContact CD1-CD1 4.2Å; L36-F48 HydrophobicContact CD1-CE1 4.27Å; L36-F48 PolarHBondContact N-O 3.19Å; L36-A50 HydrophobicContact CD1-CB 4.11Å; L36-A50 HydrophobicContact CD2-CB 4.41Å; L36-A50 HydrophobicContact CG-CB 4.06Å; L36-M77 HydrophobicContact CD2-CE 4.42Å; L36-M77 HydrophobicContact CD2-SD 4.32Å
37F96.8Very high93.2Very high0 Ų063 Ų630%037%0.369CS..EExtended strand (participates in β ladder)trans-152.6165.6178.662.5-85.5000110.7F9 F19 C21 W22 T35 Y39 F48 L68 M74F9-F37 HydrophobicContact CD2-CE2 4.38Å; F9-F37 HydrophobicContact CD2-CZ 4.05Å; F19-F37 AromaticContact CD2-CD2 3.89Å; F19-F37 HydrophobicContact CD2-CD2 3.89Å; F19-F37 HydrophobicContact CD2-CE2 4.44Å; F19-F37 HydrophobicContact CD2-CG 4.42Å; F19-F37 HydrophobicContact CE2-CB 3.79Å; F19-F37 AromaticContact CE2-CD2 3.86Å; F19-F37 HydrophobicContact CE2-CD2 3.86Å; F19-F37 AromaticContact CE2-CG 3.93Å; F19-F37 HydrophobicContact CE2-CG 3.93Å; F19-F37 HydrophobicContact CZ-CB 4.48Å; C21-F37 CarbonylContact O-C 3.57Å; C21-F37 WeakPolarHBondContact O-CA 3.45Å; C21-F37 VanDerWaalsContact O-CB 3.27Å; C21-F37 WeakPolarHBondContact O-CB 3.47Å; W22-F37 HydrophobicContact CD2-CB 4.25Å; W22-F37 HydrophobicContact CE3-CB 3.7Å; W22-F37 HydrophobicContact CE3-CD1 4.15Å; W22-F37 HydrophobicContact CE3-CG 4.32Å; W22-F37 AromaticContact CH2-CD1 3.98Å; W22-F37 HydrophobicContact CH2-CD1 3.98Å; W22-F37 HydrophobicContact CZ3-CB 3.96Å; W22-F37 AromaticContact CZ3-CD1 3.5Å; W22-F37 HydrophobicContact CZ3-CD1 3.5Å; W22-F37 HydrophobicContact CZ3-CE1 4.37Å; W22-F37 HydrophobicContact CZ3-CG 4.07Å; T35-F37 VanDerWaalsContact CG2-O 3.32Å; T35-F37 WeakPolarHBondContact CG2-O 3.5Å; F37-Y39 HydrophobicContact CE2-CD1 4.1Å; F37-F48 HydrophobicContact CD1-CB 3.91Å; F37-F48 HydrophobicContact CD1-CD1 4.07Å; F37-F48 HydrophobicContact CD1-CG 4.19Å; F37-F48 HydrophobicContact CD2-CB 3.98Å; F37-F48 HydrophobicContact CE1-CB 3.53Å; F37-F48 AromaticContact CE1-CD1 3.29Å; F37-F48 HydrophobicContact CE1-CD1 3.29Å; F37-F48 HydrophobicContact CE1-CD2 4.13Å; F37-F48 HydrophobicContact CE1-CE1 4Å; F37-F48 AromaticContact CE1-CG 3.37Å; F37-F48 HydrophobicContact CE1-CG 3.37Å; F37-F48 HydrophobicContact CE2-CB 3.59Å; F37-F48 HydrophobicContact CE2-CD2 4.35Å; F37-F48 AromaticContact CE2-CG 4Å; F37-F48 HydrophobicContact CE2-CG 4Å; F37-F48 HydrophobicContact CG-CB 4.12Å; F37-F48 HydrophobicContact CZ-CB 3.34Å; F37-F48 AromaticContact CZ-CD1 3.68Å; F37-F48 HydrophobicContact CZ-CD1 3.68Å; F37-F48 AromaticContact CZ-CD2 3.61Å; F37-F48 HydrophobicContact CZ-CD2 3.61Å; F37-F48 HydrophobicContact CZ-CE1 4.38Å; F37-F48 HydrophobicContact CZ-CE2 4.31Å; F37-F48 AromaticContact CZ-CG 3.24Å; F37-F48 HydrophobicContact CZ-CG 3.24Å; F37-F48 PolarHBondContact O-N 2.77Å; F37-L68 HydrophobicContact CE2-CD1 4.02Å; F37-M74 HydrophobicContact CD1-CE 4.38Å; F37-M74 HydrophobicContact CD2-CE 4.28Å; F37-M74 HydrophobicContact CE1-CB 4.03Å; F37-M74 HydrophobicContact CE1-CE 3.83Å; F37-M74 HydrophobicContact CE1-CG 4.04Å; F37-M74 HydrophobicContact CE2-CE 3.73Å; F37-M74 HydrophobicContact CZ-CE 3.49Å; F37-M74 VanDerWaalsContact CZ-CE 3.49Å; F37-M74 HydrophobicContact CZ-CG 4.05Å; F37-M74 HydrophobicContact CZ-SD 4.46Å
38T97Very high93.4Very high12 Ų1261.7 Ų61.77%0.07435%0.347CS..EExtended strand (participates in β ladder)trans-103.7147.9170.257.60000110.6G20 C21 K23 T35 T45 V46 N47G20-T38 VanDerWaalsContact CA-O 3.23Å; G20-T38 WeakPolarHBondContact CA-O 3.36Å; G20-T38 PolarHBondContact N-O 2.92Å; C21-T38 PolarHBondContact N-O 2.72Å; C21-T38 PolarHBondContact N-OG1 2.95Å; C21-T38 PolarHBondContact O-N 3.26Å; C21-T38 PolarHBondContact SG-OG1 3.49Å; C21-T38 VanDerWaalsContact SG-OG1 3.34Å; K23-T38 HydrophobicContact CG-CG2 4.39Å; T35-T38 HydrophobicContact CG2-CG2 4.5Å; T38-T45 HydrophobicContact CG2-CG2 4.06Å; T38-V46 CarbonylContact C-O 3.51Å; T38-V46 VanDerWaalsContact CA-O 3.28Å; T38-V46 WeakPolarHBondContact CA-O 3.43Å; T38-N47 WeakPolarHBondContact CG2-OD1 3.4Å
39Y96.3Very high93.6Very high24 Ų2461.8 Ų61.89%0.09435%0.347CS..EExtended strand (participates in β ladder)trans-137151.9171.468.4-82.1000110.2F9 A17 K18 F37 R41 V46 F48F9-Y39 HydrophobicContact CE2-CD1 4.2Å; F9-Y39 HydrophobicContact CE2-CD2 4.18Å; F9-Y39 HydrophobicContact CE2-CE1 4.18Å; F9-Y39 HydrophobicContact CE2-CE2 4.16Å; F9-Y39 HydrophobicContact CE2-CG 4.19Å; F9-Y39 HydrophobicContact CZ-CD2 4.19Å; F9-Y39 HydrophobicContact CZ-CE2 4.08Å; A17-Y39 HydrophobicContact CB-CD2 3.86Å; A17-Y39 HydrophobicContact CB-CE2 4.25Å; K18-Y39 CarbonylContact O-C 3.41Å; K18-Y39 WeakPolarHBondContact O-CA 3.17Å; K18-Y39 VanDerWaalsContact O-CB 3.28Å; K18-Y39 WeakPolarHBondContact O-CB 3.33Å; F37-Y39 HydrophobicContact CE2-CD1 4.1Å; Y39-R41 HydrophobicContact CD2-CB 4.4Å; Y39-R41 HydrophobicContact CE2-CB 4.07Å; Y39-V46 HydrophobicContact CD1-CB 4.11Å; Y39-V46 HydrophobicContact CD2-CB 4.36Å; Y39-V46 HydrophobicContact CE1-CB 3.64Å; Y39-V46 HydrophobicContact CE1-CG1 3.61Å; Y39-V46 HydrophobicContact CE2-CB 3.94Å; Y39-V46 HydrophobicContact CE2-CG1 4.34Å; Y39-V46 HydrophobicContact CE2-CG2 4.25Å; Y39-V46 HydrophobicContact CG-CB 4.45Å; Y39-V46 PolarHBondContact N-O 3.34Å; Y39-V46 PolarHBondContact O-N 2.95Å; Y39-V46 WeakPolarHBondContact OH-CG1 3.12Å; Y39-F48 HydrophobicContact CD1-CB 4.13Å; Y39-F48 HydrophobicContact CE1-CB 4.13Å; Y39-F48 HydrophobicContact CE1-CD2 4.39Å
40E95Very high93.8Very high94 Ų9459.4 Ų59.444%0.43933%0.327SS..EExtended strand (participates in β ladder)trans-88.6137.4171.2-92.1-169.9152.700111A17 K18 Q44A17-E40 VanDerWaalsContact CA-O 3.31Å; A17-E40 WeakPolarHBondContact CA-O 3.21Å; K18-E40 HydrophobicContact CB-CB 4.5Å; K18-E40 PolarHBondContact N-O 3.3Å; K18-E40 PolarHBondContact O-N 3.48Å; E40-Q44 CarbonylContact C-O 3.58Å; E40-Q44 WeakPolarHBondContact CA-O 3.27Å
41R91.4Very high93.7Very high65 Ų6564.6 Ų64.625%0.24535%0.35CS..EExtended strand (participates in β ladder)trans-140.5126.7169.2-175-172.571.1165.81.5108.3E12 A15 Y39 G43 Q44 V46E12-R41 IonicContact OE1-CZ 3.96Å; E12-R41 IonicContact OE1-NH1 2.83Å; E12-R41 PolarHBondContact OE1-NH1 3.5Å; E12-R41 IonicContact OE2-NH1 3.19Å; E12-R41 PolarHBondContact OE2-NH1 3.04Å; A15-R41 HydrophobicContact CB-CG 3.83Å; Y39-R41 HydrophobicContact CD2-CB 4.4Å; Y39-R41 HydrophobicContact CE2-CB 4.07Å; R41-G43 PolarHBondContact O-N 3.18Å; R41-G43 VanDerWaalsContact O-N 3.15Å; R41-Q44 PolarHBondContact N-O 3Å; R41-Q44 PolarHBondContact O-N 3.06Å; R41-V46 HydrophobicContact CB-CG2 4.15Å
42D88Confident93.7Very high126 Ų12664.3 Ų64.367%0.67434%0.342SS*.THydrogen-bonded Turntrans50.838.4178.7-52.1-39.3000113.9Q44D42-Q44 PolarHBondContact O-N 3.49Å
43G85.9Confident93.7Very high66 Ų6658.2 Ų58.268%0.6832%0.315SS*.THydrogen-bonded Turntrans74.16.2-177.600000115R41R41-G43 PolarHBondContact O-N 3.18Å; R41-G43 VanDerWaalsContact O-N 3.15Å
44Q92Very high93.7Very high136 Ų13656.5 Ų56.564%0.63630%0.297SS*.EExtended strand (participates in β ladder)trans-108.5138.7175.3-65.9-173.3-2.900111.5E40 R41 D42E40-Q44 CarbonylContact C-O 3.58Å; E40-Q44 WeakPolarHBondContact CA-O 3.27Å; R41-Q44 PolarHBondContact N-O 3Å; R41-Q44 PolarHBondContact O-N 3.06Å; D42-Q44 PolarHBondContact O-N 3.49Å
45T94.6Very high93.7Very high97 Ų9756.1 Ų56.160%0.59529%0.293SS*.EExtended strand (participates in β ladder)trans-78.9123171.3-60.80000110.2T38T38-T45 HydrophobicContact CG2-CG2 4.06Å
46V95.5Very high93.6Very high36 Ų3654.6 Ų54.622%0.21828%0.283CS..EExtended strand (participates in β ladder)trans-113.6141.7179.3-171.20000110T38 Y39 R41T38-V46 CarbonylContact C-O 3.51Å; T38-V46 VanDerWaalsContact CA-O 3.28Å; T38-V46 WeakPolarHBondContact CA-O 3.43Å; Y39-V46 HydrophobicContact CD1-CB 4.11Å; Y39-V46 HydrophobicContact CD2-CB 4.36Å; Y39-V46 HydrophobicContact CE1-CB 3.64Å; Y39-V46 HydrophobicContact CE1-CG1 3.61Å; Y39-V46 HydrophobicContact CE2-CB 3.94Å; Y39-V46 HydrophobicContact CE2-CG1 4.34Å; Y39-V46 HydrophobicContact CE2-CG2 4.25Å; Y39-V46 HydrophobicContact CG-CB 4.45Å; Y39-V46 PolarHBondContact N-O 3.34Å; Y39-V46 PolarHBondContact O-N 2.95Å; Y39-V46 WeakPolarHBondContact OH-CG1 3.12Å; R41-V46 HydrophobicContact CB-CG2 4.15Å
47N95.9Very high93.5Very high84 Ų8459.8 Ų59.845%0.44931%0.307SS..EExtended strand (participates in β ladder)trans-91.1115.6176.8-75.2-39.9000110.4T35 T38 K49T35-N47 HydrophobicContact CG2-CB 3.88Å; T35-N47 WeakPolarHBondContact CG2-OD1 3.49Å; T35-N47 WeakPolarHBondContact OG1-CB 3.29Å; T38-N47 WeakPolarHBondContact CG2-OD1 3.4Å; N47-K49 PolarHBondContact O-N 2.78Å
48F95.9Very high93.4Very high29 Ų2965.4 Ų65.413%0.12733%0.333CS..EExtended strand (participates in β ladder)trans-80.7113.2168.5-167.9-83.5000109.4V7 F9 T35 L36 F37 Y39V7-F48 HydrophobicContact CG1-CE1 3.65Å; V7-F48 HydrophobicContact CG1-CZ 4.2Å; F9-F48 HydrophobicContact CD2-CD2 4.01Å; F9-F48 HydrophobicContact CD2-CE2 4.05Å; F9-F48 HydrophobicContact CE2-CD2 4.26Å; T35-F48 WeakPolarHBondContact CA-O 3.39Å; L36-F48 HydrophobicContact CD1-CD1 4.2Å; L36-F48 HydrophobicContact CD1-CE1 4.27Å; L36-F48 PolarHBondContact N-O 3.19Å; F37-F48 HydrophobicContact CD1-CB 3.91Å; F37-F48 HydrophobicContact CD1-CD1 4.07Å; F37-F48 HydrophobicContact CD1-CG 4.19Å; F37-F48 HydrophobicContact CD2-CB 3.98Å; F37-F48 HydrophobicContact CE1-CB 3.53Å; F37-F48 AromaticContact CE1-CD1 3.29Å; F37-F48 HydrophobicContact CE1-CD1 3.29Å; F37-F48 HydrophobicContact CE1-CD2 4.13Å; F37-F48 HydrophobicContact CE1-CE1 4Å; F37-F48 AromaticContact CE1-CG 3.37Å; F37-F48 HydrophobicContact CE1-CG 3.37Å; F37-F48 HydrophobicContact CE2-CB 3.59Å; F37-F48 HydrophobicContact CE2-CD2 4.35Å; F37-F48 AromaticContact CE2-CG 4Å; F37-F48 HydrophobicContact CE2-CG 4Å; F37-F48 HydrophobicContact CG-CB 4.12Å; F37-F48 HydrophobicContact CZ-CB 3.34Å; F37-F48 AromaticContact CZ-CD1 3.68Å; F37-F48 HydrophobicContact CZ-CD1 3.68Å; F37-F48 AromaticContact CZ-CD2 3.61Å; F37-F48 HydrophobicContact CZ-CD2 3.61Å; F37-F48 HydrophobicContact CZ-CE1 4.38Å; F37-F48 HydrophobicContact CZ-CE2 4.31Å; F37-F48 AromaticContact CZ-CG 3.24Å; F37-F48 HydrophobicContact CZ-CG 3.24Å; F37-F48 PolarHBondContact O-N 2.77Å; Y39-F48 HydrophobicContact CD1-CB 4.13Å; Y39-F48 HydrophobicContact CE1-CB 4.13Å; Y39-F48 HydrophobicContact CE1-CD2 4.39Å
49K95.7Very high93.4Very high125 Ų12566.5 Ų66.554%0.54334%0.339SS..EExtended strand (participates in β ladder)trans-97.8144.3-174-67.2179.4172.2-172.10111.9G33 S34 N47G33-K49 VanDerWaalsContact O-CD 3.28Å; G33-K49 WeakPolarHBondContact O-CD 3.37Å; G33-K49 WeakPolarHBondContact O-CG 3.42Å; S34-K49 CarbonylContact O-C 3.6Å; S34-K49 VanDerWaalsContact O-CA 3.31Å; S34-K49 WeakPolarHBondContact O-CA 3.28Å; N47-K49 PolarHBondContact O-N 2.78Å
50A93.6Very high93.4Very high5 Ų566.6 Ų66.64%0.04135%0.345CS..  trans-63.7131.6172.800000111.1V30 G33 S34 L36V30-A50 HydrophobicContact CG1-CB 3.73Å; G33-A50 PolarHBondContact N-O 2.78Å; S34-A50 PolarHBondContact O-N 2.92Å; L36-A50 HydrophobicContact CD1-CB 4.11Å; L36-A50 HydrophobicContact CD2-CB 4.41Å; L36-A50 HydrophobicContact CG-CB 4.06Å
51F91.7Very high93.5Very high113 Ų11369.8 Ų69.850%0.49636%0.364SS..SBendtrans-84.3-24.4-177.966.6-89.9000113.7F5 V7 K32F5-F51 HydrophobicContact CD2-CE1 4.23Å; F5-F51 AromaticContact CD2-CZ 3.7Å; F5-F51 HydrophobicContact CD2-CZ 3.7Å; F5-F51 HydrophobicContact CE2-CE1 4.04Å; F5-F51 AromaticContact CE2-CZ 3.75Å; F5-F51 HydrophobicContact CE2-CZ 3.75Å; V7-F51 HydrophobicContact CG2-CE1 4.15Å; K32-F51 WeakPolarHBondContact CD-O 3.48Å; K32-F51 WeakPolarHBondContact CE-O 3.41Å; K32-F51 WeakPolarHBondContact CG-O 3.43Å
52K90.6Very high93.6Very high65 Ų6568.1 Ų68.128%0.28336%0.36SS..SBendtrans-143.4167.8172.771.2175.9-175.9174.20110.1F5 E79F5-K52 VanDerWaalsContact CD2-CE 3.47Å; F5-K52 HydrophobicContact CE1-CD 4.43Å; F5-K52 HydrophobicContact CE1-CG 4.45Å; F5-K52 HydrophobicContact CE2-CD 4.36Å; F5-K52 HydrophobicContact CE2-CG 3.97Å; F5-K52 HydrophobicContact CZ-CD 4.24Å; F5-K52 VanDerWaalsContact CZ-CE 3.43Å; F5-K52 HydrophobicContact CZ-CG 3.83Å; K52-E79 IonicContact NZ-OE1 3.38Å; K52-E79 PolarHBondContact NZ-OE1 2.93Å
53Y92Very high93.9Very high32 Ų3269.2 Ų69.213%0.12536%0.362CS..  trans-62142.3171.6179.2-82.5000110.5A29 V30 V55 C80 D92 C93A29-Y53 HydrophobicContact CB-CE2 4.12Å; A29-Y53 VanDerWaalsContact CB-OH 3.24Å; A29-Y53 WeakPolarHBondContact CB-OH 3.31Å; V30-Y53 WeakPolarHBondContact O-CA 3.32Å; Y53-V55 HydrophobicContact CE1-CG2 4.34Å; Y53-C80 HydrophobicContact CD1-CB 3.59Å; Y53-C80 HydrophobicContact CE1-CB 3.61Å; Y53-D92 HydrophobicContact CE2-CB 4.33Å; Y53-D92 VanDerWaalsContact CE2-O 3.27Å; Y53-D92 WeakPolarHBondContact CE2-O 3.25Å; Y53-C93 HydrophobicContact CD1-CB 3.72Å; Y53-C93 HydrophobicContact CD2-CB 3.85Å; Y53-C93 HydrophobicContact CE1-CB 4.27Å; Y53-C93 HydrophobicContact CE2-CB 4.39Å; Y53-C93 HydrophobicContact CG-CB 3.5Å; Y53-C93 VanDerWaalsContact CG-CB 3.5Å
54G92.7Very high94.3Very high0 Ų070 Ų700%036%0.361CS..EExtended strand (participates in β ladder)trans-166.3168.9165.300000112.4V30 M77 N78V30-G54 PolarHBondContact N-O 2.93Å; V30-G54 PolarHBondContact O-N 2.96Å; G54-M77 VanDerWaalsContact C-CE 3.47Å; G54-M77 WeakPolarHBondContact O-CE 3.14Å; G54-N78 CarbonylContact C-O 3.43Å; G54-N78 WeakPolarHBondContact CA-O 3.5Å
55V93.2Very high94.4Very high35 Ų3565.6 Ų65.621%0.21235%0.352CS..EExtended strand (participates in β ladder)trans-102.8124.6172.4-176.30000108.2Y53 H57 M77 N78Y53-V55 HydrophobicContact CE1-CG2 4.34Å; V55-H57 PolarHBondContact O-N 3.22Å; V55-H57 VanDerWaalsContact O-N 3.09Å; V55-M77 CarbonylContact O-C 3.52Å; V55-M77 VanDerWaalsContact O-CA 3.28Å; V55-M77 WeakPolarHBondContact O-CA 3.31Å; V55-N78 PolarHBondContact N-O 3.04Å; V55-N78 PolarHBondContact O-N 3.45Å
56V95Very high94.5Very high1 Ų165 Ų651%0.00634%0.343CS..EExtended strand (participates in β ladder)trans-62.7115.4-179.1-178.50000109.2V24 M25 G27 K28 V30 L59 M77V24-V56 HydrophobicContact CB-CG2 4.23Å; V24-V56 HydrophobicContact CG2-CG2 3.96Å; M25-V56 WeakPolarHBondContact O-CB 3.31Å; G27-V56 PolarHBondContact N-O 3.27Å; K28-V56 PolarHBondContact O-N 2.89Å; V30-V56 HydrophobicContact CG2-CG2 3.64Å; V56-L59 HydrophobicContact CG1-CD1 4.46Å; V56-L59 HydrophobicContact CG1-CD2 3.43Å; V56-L59 VanDerWaalsContact CG1-CD2 3.43Å; V56-L59 HydrophobicContact CG1-CG 3.74Å; V56-M77 HydrophobicContact CG2-CE 4.18Å
57H94.7Very high94.4Very high110 Ų11068.5 Ų68.551%0.50936%0.357SS..EExtended strand (participates in β ladder)trans-90.7-48.2175-177.357.5000110.4V55 V76V55-H57 PolarHBondContact O-N 3.22Å; V55-H57 VanDerWaalsContact O-N 3.09Å; H57-V76 WeakPolarHBondContact CA-O 3.43Å; H57-V76 WeakPolarHBondContact CB-O 3.38Å; H57-V76 PolarHBondContact N-O 2.82Å
58Q95.6Very high94.3Very high118 Ų11864.8 Ų64.855%0.55134%0.337SS*.EExtended strand (participates in β ladder)trans-146.3142.4-178.8-169.4175.322.400110.5A75 V76Q58-A75 CarbonylContact O-C 3.55Å; Q58-A75 VanDerWaalsContact O-CA 3.27Å; Q58-A75 WeakPolarHBondContact O-CA 3.32Å; Q58-A75 WeakPolarHBondContact O-CB 3.25Å; Q58-V76 HydrophobicContact CB-CB 4.25Å; Q58-V76 PolarHBondContact N-O 3.41Å; Q58-V76 PolarHBondContact O-N 2.95Å
59L96.8Very high94.2Very high35 Ų3567.5 Ų67.518%0.18335%0.353CS..EExtended strand (participates in β ladder)trans-108.1146.2171.6-61.2178.9000109.2W22 V24 P26 V56 A75W22-L59 HydrophobicContact CB-CD1 4.47Å; W22-L59 HydrophobicContact CD2-CB 4.41Å; W22-L59 HydrophobicContact CD2-CD1 3.86Å; W22-L59 HydrophobicContact CD2-CD2 4.19Å; W22-L59 HydrophobicContact CD2-CG 4.38Å; W22-L59 HydrophobicContact CE3-CD1 4.14Å; W22-L59 HydrophobicContact CE3-CD2 3.8Å; W22-L59 HydrophobicContact CE3-CG 4.46Å; W22-L59 HydrophobicContact CG-CD1 3.98Å; W22-L59 HydrophobicContact CH2-CB 4.48Å; W22-L59 HydrophobicContact CH2-CD2 3.92Å; W22-L59 HydrophobicContact CZ2-CB 4Å; W22-L59 HydrophobicContact CZ2-CD2 4.26Å; W22-L59 HydrophobicContact CZ3-CD2 3.66Å; V24-L59 HydrophobicContact CG2-CD1 4.47Å; V24-L59 HydrophobicContact CG2-CD2 4.13Å; P26-L59 HydrophobicContact CG-CG 4.47Å; V56-L59 HydrophobicContact CG1-CD1 4.46Å; V56-L59 HydrophobicContact CG1-CD2 3.43Å; V56-L59 VanDerWaalsContact CG1-CD2 3.43Å; V56-L59 HydrophobicContact CG1-CG 3.74Å; L59-A75 HydrophobicContact CD2-CB 3.87Å
60A95.9Very high94.1Very high27 Ų2765.7 Ų65.722%0.22335%0.349CS..  trans-65.4141.2171.600000110.7W22 L62 V73 M74W22-A60 HydrophobicContact CZ2-CB 4.4Å; W22-A60 PolarHBondContact NE1-O 2.77Å; A60-L62 HydrophobicContact CB-CD1 4Å; A60-L62 HydrophobicContact CB-CG 3.95Å; A60-L62 PolarHBondContact O-N 3.34Å; A60-V73 VanDerWaalsContact CB-O 3.31Å; A60-V73 WeakPolarHBondContact CB-O 3.4Å; A60-M74 VanDerWaalsContact CB-O 3.24Å; A60-M74 WeakPolarHBondContact CB-O 3.38Å; A60-M74 PolarHBondContact N-O 2.85Å
61D95.7Very high94Very high160 Ų16067.6 Ų67.686%0.85637%0.37SS*.  trans-78.399.1174.9-170.719.2000109.1
62L94.8Very high94.2Very high30 Ų3064.8 Ų64.816%0.15736%0.36CS..  trans-131138.9-172.9-65.6172.3000110.4F19 W22 A60 Q66 L68 M74F19-L62 HydrophobicContact CD1-CB 3.8Å; F19-L62 HydrophobicContact CD2-CB 4.31Å; F19-L62 HydrophobicContact CD2-CD1 3.76Å; F19-L62 HydrophobicContact CE1-CB 3.93Å; F19-L62 HydrophobicContact CE2-CB 4.43Å; F19-L62 HydrophobicContact CE2-CD1 3.99Å; F19-L62 HydrophobicContact CG-CB 3.99Å; F19-L62 HydrophobicContact CG-CD1 4.14Å; F19-L62 HydrophobicContact CZ-CB 4.25Å; W22-L62 HydrophobicContact CZ2-CD1 4.2Å; A60-L62 HydrophobicContact CB-CD1 4Å; A60-L62 HydrophobicContact CB-CG 3.95Å; A60-L62 PolarHBondContact O-N 3.34Å; L62-Q66 HydrophobicContact CD2-CG 4.44Å; L62-L68 HydrophobicContact CD1-CD2 4.18Å; L62-M74 HydrophobicContact CD1-CE 3.3Å; L62-M74 HydrophobicContact CD1-SD 4.08Å
63Q94.4Very high94.4Very high150 Ų15065.5 Ų65.570%0.70137%0.369SS*.  trans-99.3148.1173.9-64.1-167.2-13.700111.7G65 Q66Q63-G65 PolarHBondContact O-N 2.81Å; Q63-Q66 VanDerWaalsContact N-OE1 3.1Å; Q63-Q66 WeakPolarHBondContact O-CB 3.38Å; Q63-Q66 PolarHBondContact O-N 3.06Å
64A94.9Very high94.6Very high81 Ų8164 Ų6467%0.66936%0.363SS*.THydrogen-bonded Turntrans-56.4131.9174.300000110.6F19 G20F19-A64 CarbonylContact O-C 3.56Å; G20-A64 WeakPolarHBondContact O-CB 3.47Å
65G93.7Very high94.8Very high44 Ų4464.1 Ų64.145%0.45436%0.364SS..THydrogen-bonded Turntrans89.1-9.1-175.700000115F19 Q63 Q67F19-G65 PolarHBondContact O-N 3.07Å; Q63-G65 PolarHBondContact O-N 2.81Å; G65-Q67 PolarHBondContact O-N 3.39Å
66Q95.4Very high94.9Very high84 Ų8464 Ų6439%0.39336%0.363SS..  trans-63.2131.8177.2-175.3172.7-13.400110.9K18 F19 L62 Q63K18-Q66 CarbonylContact C-O 3.36Å; K18-Q66 WeakPolarHBondContact CA-O 3.28Å; F19-Q66 PolarHBondContact N-O 3.23Å; L62-Q66 HydrophobicContact CD2-CG 4.44Å; Q63-Q66 VanDerWaalsContact N-OE1 3.1Å; Q63-Q66 WeakPolarHBondContact O-CB 3.38Å; Q63-Q66 PolarHBondContact O-N 3.06Å
67Q94.4Very high94.9Very high110 Ų11064 Ų6451%0.51436%0.363SS..EExtended strand (participates in β ladder)trans-68.9134.8179.9-171.9173.8-16.100110.8V16 A17 G65V16-Q67 HydrophobicContact CG1-CG 4.43Å; A17-Q67 WeakPolarHBondContact O-CA 3.23Å; G65-Q67 PolarHBondContact O-N 3.39Å
68L94.5Very high94.8Very high7 Ų761 Ų614%0.03735%0.351CS..EExtended strand (participates in β ladder)trans-104.7132.6178.2-61.8177000110.2F9 A17 F19 F37 L62 M74F9-L68 HydrophobicContact CD1-CB 3.72Å; F9-L68 HydrophobicContact CD2-CB 4.46Å; F9-L68 HydrophobicContact CD2-CD1 3.96Å; F9-L68 HydrophobicContact CE1-CB 3.76Å; F9-L68 HydrophobicContact CE2-CB 4.49Å; F9-L68 HydrophobicContact CE2-CD1 3.92Å; F9-L68 HydrophobicContact CG-CB 4.09Å; F9-L68 HydrophobicContact CG-CD1 4.35Å; F9-L68 HydrophobicContact CZ-CB 4.16Å; F9-L68 HydrophobicContact CZ-CD1 4.27Å; A17-L68 HydrophobicContact CB-CB 4.19Å; A17-L68 PolarHBondContact O-N 3.34Å; F19-L68 HydrophobicContact CB-CD1 4.16Å; F19-L68 HydrophobicContact CB-CD2 4.06Å; F19-L68 HydrophobicContact CB-CG 4.14Å; F37-L68 HydrophobicContact CE2-CD1 4.02Å; L62-L68 HydrophobicContact CD1-CD2 4.18Å; L68-M74 HydrophobicContact CD1-CE 4.08Å; L68-M74 HydrophobicContact CD2-CE 3.67Å; L68-M74 HydrophobicContact CD2-SD 3.95Å
69N92.8Very high94.6Very high86 Ų8659 Ų5946%0.4634%0.342SS..  trans-109.2150.1175-56.2-63.4000111.1F9 G71 D72F9-N69 WeakPolarHBondContact CD1-O 3.38Å; N69-G71 PolarHBondContact O-N 2.96Å; N69-D72 PolarHBondContact N-OD2 2.8Å; N69-D72 VanDerWaalsContact O-CB 3.31Å; N69-D72 WeakPolarHBondContact O-CB 3.1Å; N69-D72 PolarHBondContact O-N 3.41Å
70N92.7Very high94.1Very high86 Ų8658 Ų5846%0.4634%0.338SS..THydrogen-bonded Turntrans-60.1125.4174.3-84.5-16.6000110.9R10 G11R10-N70 WeakPolarHBondContact CA-OD1 3.24Å; G11-N70 PolarHBondContact N-OD1 2.75Å; G11-N70 PolarHBondContact O-ND2 2.89Å; G11-N70 PolarHBondContact O-OD1 3.19Å
71G92.9Very high93.5Very high46 Ų4658.5 Ų58.547%0.47434%0.339SS..THydrogen-bonded Turntrans100.1-13.8-176.100000114.5S8 F9 N69 V73S8-G71 PolarHBondContact OG-O 3.15Å; F9-G71 PolarHBondContact O-N 3.15Å; N69-G71 PolarHBondContact O-N 2.96Å; G71-V73 PolarHBondContact O-N 3.28Å
72D94.5Very high93.1Very high54 Ų5451.3 Ų51.329%0.28930%0.3SS..  trans-54.8128.9176.8-74.5-8.4000110.3S8 F9 N69 M74S8-D72 CarbonylContact C-O 3.5Å; S8-D72 WeakPolarHBondContact CA-O 3.35Å; F9-D72 HydrophobicContact CB-CB 4.36Å; F9-D72 PolarHBondContact N-O 3.44Å; N69-D72 PolarHBondContact N-OD2 2.8Å; N69-D72 VanDerWaalsContact O-CB 3.31Å; N69-D72 WeakPolarHBondContact O-CB 3.1Å; N69-D72 PolarHBondContact O-N 3.41Å; D72-M74 HydrophobicContact CB-SD 4.22Å; D72-M74 PolarHBondContact O-N 3.48Å
73V96.1Very high92.7Very high80 Ų8050.7 Ų50.749%0.48530%0.298SS..EExtended strand (participates in β ladder)trans-74.4114.2177.51740000108.4V6 A60 G71V6-V73 HydrophobicContact CG1-CB 4.21Å; V6-V73 HydrophobicContact CG1-CG1 3.6Å; V6-V73 HydrophobicContact CG1-CG2 3.8Å; A60-V73 VanDerWaalsContact CB-O 3.31Å; A60-V73 WeakPolarHBondContact CB-O 3.4Å; G71-V73 PolarHBondContact O-N 3.28Å
74M96.3Very high92.4Very high0 Ų044.5 Ų44.50%027%0.27CS..EExtended strand (participates in β ladder)trans-92.6-43.2-178-56.5-54.6-68.200111V7 F9 F19 W22 F37 A60 L62 L68 D72V7-M74 WeakPolarHBondContact O-CA 3.49Å; V7-M74 WeakPolarHBondContact O-CB 3.28Å; V7-M74 PolarHBondContact O-N 3.42Å; F9-M74 HydrophobicContact CB-CG 3.8Å; F9-M74 HydrophobicContact CB-SD 3.84Å; F19-M74 HydrophobicContact CD2-CE 4.07Å; F19-M74 HydrophobicContact CE2-CE 4.41Å; W22-M74 HydrophobicContact CH2-CB 4.06Å; W22-M74 WeakPolarHBondContact CH2-O 3.5Å; W22-M74 WeakPolarHBondContact CZ2-O 3.27Å; F37-M74 HydrophobicContact CD1-CE 4.38Å; F37-M74 HydrophobicContact CD2-CE 4.28Å; F37-M74 HydrophobicContact CE1-CB 4.03Å; F37-M74 HydrophobicContact CE1-CE 3.83Å; F37-M74 HydrophobicContact CE1-CG 4.04Å; F37-M74 HydrophobicContact CE2-CE 3.73Å; F37-M74 HydrophobicContact CZ-CE 3.49Å; F37-M74 VanDerWaalsContact CZ-CE 3.49Å; F37-M74 HydrophobicContact CZ-CG 4.05Å; F37-M74 HydrophobicContact CZ-SD 4.46Å; A60-M74 VanDerWaalsContact CB-O 3.24Å; A60-M74 WeakPolarHBondContact CB-O 3.38Å; A60-M74 PolarHBondContact N-O 2.85Å; L62-M74 HydrophobicContact CD1-CE 3.3Å; L62-M74 HydrophobicContact CD1-SD 4.08Å; L68-M74 HydrophobicContact CD1-CE 4.08Å; L68-M74 HydrophobicContact CD2-CE 3.67Å; L68-M74 HydrophobicContact CD2-SD 3.95Å; D72-M74 HydrophobicContact CB-SD 4.22Å; D72-M74 PolarHBondContact O-N 3.48Å
75A96Very high92.1Very high2 Ų240.9 Ų40.92%0.01724%0.24CC..EExtended strand (participates in β ladder)trans-150.8151.9-179.900000111.7V7 Q58 L59 M77V7-A75 HydrophobicContact CB-CB 4.23Å; V7-A75 HydrophobicContact CG2-CB 4.42Å; V7-A75 PolarHBondContact N-O 2.71Å; V7-A75 PolarHBondContact O-N 3.32Å; Q58-A75 CarbonylContact O-C 3.55Å; Q58-A75 VanDerWaalsContact O-CA 3.27Å; Q58-A75 WeakPolarHBondContact O-CA 3.32Å; Q58-A75 WeakPolarHBondContact O-CB 3.25Å; L59-A75 HydrophobicContact CD2-CB 3.87Å; A75-M77 HydrophobicContact CB-CG 4.39Å
76V95.9Very high91.9Very high32 Ų3239.3 Ų39.319%0.19422%0.221CC..EExtended strand (participates in β ladder)trans-104.4127.3162.4-176.70000107H57 Q58H57-V76 WeakPolarHBondContact CA-O 3.43Å; H57-V76 WeakPolarHBondContact CB-O 3.38Å; H57-V76 PolarHBondContact N-O 2.82Å; Q58-V76 HydrophobicContact CB-CB 4.25Å; Q58-V76 PolarHBondContact N-O 3.41Å; Q58-V76 PolarHBondContact O-N 2.95Å
77M95.2Very high91.3Very high1 Ų140.3 Ų40.31%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-124.2145.2-178.4-63.2-174.775.500109.8S4 F5 V7 V30 L36 G54 V55 V56 A75S4-M77 CarbonylContact C-O 3.52Å; S4-M77 WeakPolarHBondContact CA-O 3.43Å; F5-M77 HydrophobicContact CD1-CB 4.19Å; F5-M77 WeakPolarHBondContact CD1-O 3.33Å; F5-M77 HydrophobicContact CD2-CB 4.27Å; F5-M77 HydrophobicContact CE1-CB 3.68Å; F5-M77 HydrophobicContact CE2-CB 3.77Å; F5-M77 HydrophobicContact CE2-CG 4.32Å; F5-M77 HydrophobicContact CE2-SD 3.99Å; F5-M77 HydrophobicContact CG-CB 4.48Å; F5-M77 HydrophobicContact CZ-CB 3.46Å; F5-M77 VanDerWaalsContact CZ-CB 3.46Å; F5-M77 HydrophobicContact CZ-CE 4.44Å; F5-M77 HydrophobicContact CZ-CG 4.27Å; F5-M77 HydrophobicContact CZ-SD 3.98Å; F5-M77 PolarHBondContact N-O 3.49Å; F5-M77 PolarHBondContact O-N 2.85Å; V7-M77 HydrophobicContact CG2-CG 3.96Å; V7-M77 HydrophobicContact CG2-SD 3.52Å; V7-M77 VanDerWaalsContact CG2-SD 3.52Å; V30-M77 HydrophobicContact CB-CE 3.83Å; V30-M77 HydrophobicContact CG2-CE 4Å; L36-M77 HydrophobicContact CD2-CE 4.42Å; L36-M77 HydrophobicContact CD2-SD 4.32Å; G54-M77 VanDerWaalsContact C-CE 3.47Å; G54-M77 WeakPolarHBondContact O-CE 3.14Å; V55-M77 CarbonylContact O-C 3.52Å; V55-M77 VanDerWaalsContact O-CA 3.28Å; V55-M77 WeakPolarHBondContact O-CA 3.31Å; V56-M77 HydrophobicContact CG2-CE 4.18Å; A75-M77 HydrophobicContact CB-CG 4.39Å
78N93Very high90.9Very high48 Ų4838.3 Ų38.326%0.25722%0.217SC..EExtended strand (participates in β ladder)trans-89.1147.1169.9-64.9-29.4000110D3 S4 G54 V55D3-N78 CarbonylContact O-C 3.51Å; D3-N78 WeakPolarHBondContact O-CA 3.31Å; S4-N78 PolarHBondContact OG-OD1 2.98Å; G54-N78 CarbonylContact C-O 3.43Å; G54-N78 WeakPolarHBondContact CA-O 3.5Å; V55-N78 PolarHBondContact N-O 3.04Å; V55-N78 PolarHBondContact O-N 3.45Å
79E90.2Very high90.6Very high76 Ų7639.4 Ų39.436%0.35522%0.223SC..PPolyproline II helixtrans-65.1165.9171.1-62.6-157.8153.100111.2D3 F5 K52D3-E79 HydrophobicContact CB-CB 4.41Å; D3-E79 WeakPolarHBondContact O-CG 3.22Å; D3-E79 PolarHBondContact O-N 2.82Å; F5-E79 HydrophobicContact CD1-CG 3.78Å; F5-E79 HydrophobicContact CE1-CG 4.21Å; K52-E79 IonicContact NZ-OE1 3.38Å; K52-E79 PolarHBondContact NZ-OE1 2.93Å
80C87.2Confident90.4Very high14 Ų1435.3 Ų35.310%0.09520%0.201CC..PPolyproline II helixtrans-63.4129.3177.2-1700000109.3Y53 H82 C93Y53-C80 HydrophobicContact CD1-CB 3.59Å; Y53-C80 HydrophobicContact CE1-CB 3.61Å; C80-H82 PolarHBondContact O-N 3.37Å; C80-H82 PolarHBondContact SG-CD2 3.27Å; C80-H82 PolarHBondContact SG-N 2.78Å; C80-H82 VanDerWaalsContact SG-N 3.44Å; C80-C93 HydrophobicContact CB-CB 3.84Å
81P83Confident90.1Very high37 Ų3732 Ų3224%0.2419%0.185CC..  trans-73-10.4175.331.2-35.9000112.6S83 R107P81-S83 WeakPolarHBondContact CB-OG 3.47Å; P81-S83 WeakPolarHBondContact CG-OG 3.48Å; P81-S83 PolarHBondContact O-N 3.27Å; P81-R107 WeakPolarHBondContact O-CD 3.5Å
82H86.8Confident89.8Confident9 Ų933.1 Ų33.14%0.04218%0.18CC..  trans5243.1-174.3-51127.1000112.2C80 V84 V85 C90 C93 L97C80-H82 PolarHBondContact O-N 3.37Å; C80-H82 PolarHBondContact SG-CD2 3.27Å; C80-H82 PolarHBondContact SG-N 2.78Å; C80-H82 VanDerWaalsContact SG-N 3.44Å; H82-V84 VanDerWaalsContact C-N 3.31Å; H82-V84 PolarHBondContact O-N 3.4Å; H82-V85 HydrophobicContact CB-CG2 4.48Å; H82-C90 HydrophobicContact CB-CB 4.48Å; H82-C93 VanDerWaalsContact CD2-SG 3.53Å; H82-C93 PolarHBondContact NE2-SG 3.38Å; H82-L97 HydrophobicContact CB-CD1 4.32Å; H82-L97 HydrophobicContact CB-CD2 4.37Å
83S86.7Confident89.5Confident18 Ų1831.8 Ų31.813%0.12618%0.175CC..  trans-73.3-20.6-174-59.90000113.8P81 I121 S122P81-S83 WeakPolarHBondContact CB-OG 3.47Å; P81-S83 WeakPolarHBondContact CG-OG 3.48Å; P81-S83 PolarHBondContact O-N 3.27Å; S83-I121 CarbonylContact O-C 3.5Å; S83-I121 WeakPolarHBondContact O-CA 3.3Å; S83-S122 PolarHBondContact O-N 3.45Å
84V89.2Confident89Confident19 Ų1929.3 Ų29.312%0.11517%0.166CC..EExtended strand (participates in β ladder)trans-130.1121.3175.5-176.80000108.2H82 C90 A91 L119 I121H82-V84 VanDerWaalsContact C-N 3.31Å; H82-V84 PolarHBondContact O-N 3.4Å; V84-C90 WeakPolarHBondContact O-CA 3.44Å; V84-A91 HydrophobicContact CB-CB 4.04Å; V84-A91 HydrophobicContact CG1-CB 3.78Å; V84-A91 PolarHBondContact O-N 2.86Å; V84-L119 HydrophobicContact CG1-CD1 4.02Å; V84-I121 HydrophobicContact CB-CG2 4.36Å; V84-I121 HydrophobicContact CG1-CG2 4.11Å; V84-I121 HydrophobicContact CG2-CG2 4Å
85V87.8Confident88.4Confident6 Ų632.6 Ų32.64%0.03618%0.183CC..EExtended strand (participates in β ladder)trans-129.9130.3-175.3179.30000108.5H82 K87 M89 L97 A108 L119 Q120H82-V85 HydrophobicContact CB-CG2 4.48Å; V85-K87 WeakPolarHBondContact CG1-O 3.21Å; V85-M89 WeakPolarHBondContact CA-O 3.46Å; V85-L97 HydrophobicContact CB-CD1 4.44Å; V85-L97 HydrophobicContact CG1-CD1 3.93Å; V85-L97 HydrophobicContact CG2-CD1 3.57Å; V85-A108 HydrophobicContact CB-CB 3.96Å; V85-A108 HydrophobicContact CG2-CB 3.62Å; V85-L119 WeakPolarHBondContact O-CA 3.44Å; V85-Q120 PolarHBondContact N-O 3.07Å; V85-Q120 PolarHBondContact O-N 2.8Å; V85-Q120 VanDerWaalsContact O-O 3.08Å
86L88.5Confident87.9Confident11 Ų1134 Ų346%0.05819%0.19CC..EExtended strand (participates in β ladder)trans-111.3114.6169.3-178.864.9000108.5D88 M89 I116 E118 L119 V545 W549L86-D88 PolarHBondContact O-N 3.38Å; L86-M89 PolarHBondContact N-O 2.76Å; L86-M89 PolarHBondContact O-N 3.19Å; L86-I116 HydrophobicContact CD1-CG2 4.02Å; L86-E118 CarbonylContact C-O 3.58Å; L86-E118 WeakPolarHBondContact CA-O 3.24Å; L86-E118 HydrophobicContact CD1-CB 4.45Å; L86-L119 HydrophobicContact CB-CD1 4.28Å; L86-L119 HydrophobicContact CD1-CB 3.97Å; L86-L119 HydrophobicContact CD1-CD1 4.26Å; L86-V545 HydrophobicContact CB-CG1 4.24Å; L86-V545 HydrophobicContact CD2-CG1 4.13Å; L86-W549 HydrophobicContact CD2-CB 3.91Å; L86-W549 HydrophobicContact CD2-CD2 4.09Å; L86-W549 HydrophobicContact CD2-CG 3.76Å
87K84Confident87.3Confident105 Ų10533.2 Ų33.246%0.45718%0.184SC..THydrogen-bonded Turntrans58.4-96.5-167.5-66176.9175.6-174.60110.1V85 E118 W549V85-K87 WeakPolarHBondContact CG1-O 3.21Å; K87-E118 HydrophobicContact CB-CB 4.43Å; K87-E118 HydrophobicContact CG-CB 3.49Å; K87-E118 VanDerWaalsContact CG-CB 3.49Å; K87-E118 HydrophobicContact CG-CG 3.86Å; K87-E118 PolarHBondContact N-O 3.27Å; K87-W549 HydrophobicContact CD-CZ2 4.43Å
88D85.4Confident86.6Confident68 Ų6841.2 Ų41.236%0.36422%0.215SC..THydrogen-bonded Turntrans-124.58.1179.9-59.7-66.7000112L86 D96 L97 R98L86-D88 PolarHBondContact O-N 3.38Å; D88-D96 CarbonylContact O-C 3.44Å; D88-D96 WeakPolarHBondContact O-CA 3.31Å; D88-L97 WeakPolarHBondContact O-CB 3.32Å; D88-L97 PolarHBondContact O-N 2.83Å; D88-R98 HydrophobicContact CB-CG 3.73Å; D88-R98 VanDerWaalsContact CG-CD 3.5Å; D88-R98 VanDerWaalsContact OD2-CD 3.27Å; D88-R98 WeakPolarHBondContact OD2-CD 3.43Å; D88-R98 IonicContact OD2-CZ 2.63Å; D88-R98 IonicContact OD2-NE 3.35Å; D88-R98 IonicContact OD2-NH1 3.46Å
89M87.8Confident85.7Confident30 Ų3047.1 Ų47.115%0.14824%0.238CC..EExtended strand (participates in β ladder)trans-108.6124.7-175.1-160.8-177.785.200110.1V85 L86 A91 I95 W549 E552V85-M89 WeakPolarHBondContact CA-O 3.46Å; L86-M89 PolarHBondContact N-O 2.76Å; L86-M89 PolarHBondContact O-N 3.19Å; M89-A91 PolarHBondContact O-N 3.48Å; M89-I95 WeakPolarHBondContact CA-O 3.48Å; M89-W549 HydrophobicContact CE-CB 4.27Å; M89-W549 HydrophobicContact CE-CG 4.39Å; M89-E552 HydrophobicContact CE-CB 4.29Å; M89-E552 HydrophobicContact CE-CG 4.43Å; M89-E552 HydrophobicContact SD-CB 4.21Å; M89-E552 HydrophobicContact SD-CG 4.15Å
90C88.3Confident84.5Confident0 Ų047.1 Ų47.10%024%0.238CC..EExtended strand (participates in β ladder)trans-70.3128.5173.3176.50000110.8H82 V84 D92 C93 G94 I95H82-C90 HydrophobicContact CB-CB 4.48Å; V84-C90 WeakPolarHBondContact O-CA 3.44Å; C90-D92 PolarHBondContact O-N 3.46Å; C90-D92 PolarHBondContact SG-N 3.13Å; C90-C93 VanDerWaalsContact CB-SG 3.53Å; C90-C93 VanDerWaalsContact SG-SG 3.68Å; C90-G94 VanDerWaalsContact O-CA 3.22Å; C90-G94 WeakPolarHBondContact O-CA 3.27Å; C90-G94 PolarHBondContact O-N 2.76Å; C90-I95 PolarHBondContact N-O 3.06Å
91A88Confident82.8Confident16 Ų1656 Ų5613%0.13228%0.278CS..THydrogen-bonded Turntrans-70-19.5179.300000113.9V84 M89 V545V84-A91 HydrophobicContact CB-CB 4.04Å; V84-A91 HydrophobicContact CG1-CB 3.78Å; V84-A91 PolarHBondContact O-N 2.86Å; M89-A91 PolarHBondContact O-N 3.48Å; A91-V545 HydrophobicContact CB-CG1 4.02Å; A91-V545 HydrophobicContact CB-CG2 3.94Å
92D86.4Confident81.5Confident69 Ų6956.8 Ų56.837%0.36929%0.293SS..THydrogen-bonded Turntrans-88.7-53.2-178.6-63.4-45.6000112.2Y53 C90Y53-D92 HydrophobicContact CE2-CB 4.33Å; Y53-D92 VanDerWaalsContact CE2-O 3.27Å; Y53-D92 WeakPolarHBondContact CE2-O 3.25Å; C90-D92 PolarHBondContact O-N 3.46Å; C90-D92 PolarHBondContact SG-N 3.13Å
93C87.9Confident79.9Confident26 Ų2665.3 Ų65.318%0.17633%0.333CS..THydrogen-bonded Turntrans-100.1-13.3-174.571.50000114.2Y53 C80 H82 C90 I95Y53-C93 HydrophobicContact CD1-CB 3.72Å; Y53-C93 HydrophobicContact CD2-CB 3.85Å; Y53-C93 HydrophobicContact CE1-CB 4.27Å; Y53-C93 HydrophobicContact CE2-CB 4.39Å; Y53-C93 HydrophobicContact CG-CB 3.5Å; Y53-C93 VanDerWaalsContact CG-CB 3.5Å; C80-C93 HydrophobicContact CB-CB 3.84Å; H82-C93 VanDerWaalsContact CD2-SG 3.53Å; H82-C93 PolarHBondContact NE2-SG 3.38Å; C90-C93 VanDerWaalsContact CB-SG 3.53Å; C90-C93 VanDerWaalsContact SG-SG 3.68Å; C93-I95 HydrophobicContact CB-CG1 4.47Å; C93-I95 PolarHBondContact O-N 3.5Å; C93-I95 VanDerWaalsContact SG-CB 3.6Å; C93-I95 PolarHBondContact SG-N 3.2Å
94G84.9Confident78.2Confident29 Ų2966.9 Ų66.930%0.29934%0.344SS..  trans72.38.4-178.400000114.7C90C90-G94 VanDerWaalsContact O-CA 3.22Å; C90-G94 WeakPolarHBondContact O-CA 3.27Å; C90-G94 PolarHBondContact O-N 2.76Å
95I85.1Confident76.5Confident69 Ų6967 Ų6735%0.35435%0.345SS..  trans-75.5138.8178.6-67.3175.9000110M89 C90 C93 Q100M89-I95 WeakPolarHBondContact CA-O 3.48Å; C90-I95 PolarHBondContact N-O 3.06Å; C93-I95 HydrophobicContact CB-CG1 4.47Å; C93-I95 PolarHBondContact O-N 3.5Å; C93-I95 VanDerWaalsContact SG-CB 3.6Å; C93-I95 PolarHBondContact SG-N 3.2Å; I95-Q100 HydrophobicContact CG2-CG 4.45Å
96D84.6Confident75.1Confident32 Ų3275.3 Ų75.317%0.17138%0.381CS..BIsolated β-bridgetrans-80107.8167.6-176.5-12000109.4D88 R98 K99D88-D96 CarbonylContact O-C 3.44Å; D88-D96 WeakPolarHBondContact O-CA 3.31Å; D96-R98 PolarHBondContact O-N 2.8Å; D96-R98 WeakPolarHBondContact OD1-CB 3.32Å; D96-R98 IonicContact OD1-CZ 2.79Å; D96-R98 PolarHBondContact OD1-N 2.89Å; D96-R98 IonicContact OD1-NE 2.8Å; D96-R98 PolarHBondContact OD1-NE 3.04Å; D96-R98 IonicContact OD1-NH2 3.06Å; D96-R98 IonicContact OD2-CZ 2.76Å; D96-R98 IonicContact OD2-NE 3.2Å; D96-R98 IonicContact OD2-NH2 2.72Å; D96-R98 PolarHBondContact OD2-NH2 3.29Å; D96-K99 HydrophobicContact CB-CD 4.27Å; D96-K99 HydrophobicContact CB-CG 4.42Å; D96-K99 PolarHBondContact O-N 3.36Å; D96-K99 VanDerWaalsContact O-N 3.14Å; D96-K99 WeakPolarHBondContact OD2-CE 3.17Å
97L83.9Confident74.3Confident14 Ų1480.2 Ų80.27%0.07340%0.398CS..G310 helixtrans-68.9-17.9-173.9-62.7178000113H82 V85 D88 K99 Q100H82-L97 HydrophobicContact CB-CD1 4.32Å; H82-L97 HydrophobicContact CB-CD2 4.37Å; V85-L97 HydrophobicContact CB-CD1 4.44Å; V85-L97 HydrophobicContact CG1-CD1 3.93Å; V85-L97 HydrophobicContact CG2-CD1 3.57Å; D88-L97 WeakPolarHBondContact O-CB 3.32Å; D88-L97 PolarHBondContact O-N 2.83Å; L97-K99 PolarHBondContact O-N 3.22Å; L97-Q100 PolarHBondContact O-N 2.81Å
98R80Confident74.1Confident170 Ų17075.7 Ų75.764%0.64238%0.381SS*.G310 helixtrans-64.5-25171.9-65.2170.6-61.4178.78.8112.5D88 D96D88-R98 HydrophobicContact CB-CG 3.73Å; D88-R98 VanDerWaalsContact CG-CD 3.5Å; D88-R98 VanDerWaalsContact OD2-CD 3.27Å; D88-R98 WeakPolarHBondContact OD2-CD 3.43Å; D88-R98 IonicContact OD2-CZ 2.63Å; D88-R98 IonicContact OD2-NE 3.35Å; D88-R98 IonicContact OD2-NH1 3.46Å; D96-R98 PolarHBondContact O-N 2.8Å; D96-R98 WeakPolarHBondContact OD1-CB 3.32Å; D96-R98 IonicContact OD1-CZ 2.79Å; D96-R98 PolarHBondContact OD1-N 2.89Å; D96-R98 IonicContact OD1-NE 2.8Å; D96-R98 PolarHBondContact OD1-NE 3.04Å; D96-R98 IonicContact OD1-NH2 3.06Å; D96-R98 IonicContact OD2-CZ 2.76Å; D96-R98 IonicContact OD2-NE 3.2Å; D96-R98 IonicContact OD2-NH2 2.72Å; D96-R98 PolarHBondContact OD2-NH2 3.29Å
99K73.5Confident73.9Confident171 Ų17176.2 Ų76.274%0.74339%0.39SS*.G310 helixtrans-88.6-6-178.3-59.8-179.3-175.6173.60112.8D96 L97D96-K99 HydrophobicContact CB-CD 4.27Å; D96-K99 HydrophobicContact CB-CG 4.42Å; D96-K99 PolarHBondContact O-N 3.36Å; D96-K99 VanDerWaalsContact O-N 3.14Å; D96-K99 WeakPolarHBondContact OD2-CE 3.17Å; L97-K99 PolarHBondContact O-N 3.22Å
100Q65.2Low73.4Confident77 Ų7775.4 Ų75.436%0.3639%0.386SS..  trans-101.2105.3173.2-79.4-153.3-33.500110I95 L97 G102 S105I95-Q100 HydrophobicContact CG2-CG 4.45Å; L97-Q100 PolarHBondContact O-N 2.81Å; Q100-G102 PolarHBondContact O-N 3.27Å; Q100-S105 WeakPolarHBondContact CB-OG 3.42Å; Q100-S105 PolarHBondContact O-OG 3.48Å
101E51Low73.1Confident200 Ų20076.2 Ų76.294%0.93539%0.391SS*.  trans-74.4107.8166.6-68.9-173.7163.700109.1
102G55.5Low72.3Confident53 Ų5376.8 Ų76.855%0.54639%0.392SS..SBendtrans162.7157.8175.200000114.5Q100 S104 S105Q100-G102 PolarHBondContact O-N 3.27Å; G102-S104 PolarHBondContact O-N 3.21Å; G102-S105 PolarHBondContact O-N 3.28Å
103E53.4Low71.8Confident189 Ų18974.7 Ų74.788%0.88338%0.38SS*.G310 helixtrans-62.6-21.7-179-75.7-179.7154.300114S105 K106E103-S105 PolarHBondContact O-N 2.8Å; E103-S105 VanDerWaalsContact O-N 3.13Å; E103-K106 PolarHBondContact O-N 3.26Å
104S52.1Low70.9Confident51 Ų5174 Ų7436%0.35738%0.375SS..G310 helixtrans-67.5-8.2178.2-75.30000114.9G102G102-S104 PolarHBondContact O-N 3.21Å
105S53.2Low70.1Confident21 Ų2174 Ų7415%0.14737%0.37CS..G310 helixtrans-81.2-6.7178.7-67.70000114.7Q100 G102 E103Q100-S105 WeakPolarHBondContact CB-OG 3.42Å; Q100-S105 PolarHBondContact O-OG 3.48Å; G102-S105 PolarHBondContact O-N 3.28Å; E103-S105 PolarHBondContact O-N 2.8Å; E103-S105 VanDerWaalsContact O-N 3.13Å
106K58.5Low69.8Low180 Ų18072.5 Ų72.578%0.78336%0.362SS*.  trans-116.229.1-169.3-65.8-171.3178.8-177.50116E103E103-K106 PolarHBondContact O-N 3.26Å
107R71.6Confident69.3Low114 Ų11472.8 Ų72.843%0.4337%0.366SS..SBendtrans-75.2-31.7179.6-78.2-171.2-179.2154.99114D3 P81 S122D3-R107 IonicContact OD2-CZ 3.58Å; D3-R107 IonicContact OD2-NH1 3.99Å; D3-R107 IonicContact OD2-NH2 3.6Å; D3-R107 PolarHBondContact OD2-NH2 2.93Å; P81-R107 WeakPolarHBondContact O-CD 3.5Å; R107-S122 WeakPolarHBondContact O-CA 3.5Å
108A78.7Confident69.2Low10 Ų1075.5 Ų75.58%0.08338%0.378CS..EExtended strand (participates in β ladder)trans-86.2127.4172.700000110V85 Q120 I121V85-A108 HydrophobicContact CB-CB 3.96Å; V85-A108 HydrophobicContact CG2-CB 3.62Å; A108-Q120 HydrophobicContact CB-CB 4.05Å; A108-I121 WeakPolarHBondContact CA-O 3.44Å
109S81.5Confident69.5Low80 Ų8068 Ų6856%0.55935%0.351SS*.EExtended strand (participates in β ladder)trans-150.8-9.4-177.360.30000114I121S109-I121 PolarHBondContact N-O 3.41Å
110I78.9Confident70.1Confident13 Ų1363.2 Ų63.27%0.06733%0.331CS..EExtended strand (participates in β ladder)trans-102.3124.4-177.1-57.1-177.4000108.5M112 Q120 I121 H123 A126I110-M112 HydrophobicContact CG2-CG 3.9Å; I110-Q120 CarbonylContact O-C 3.52Å; I110-Q120 VanDerWaalsContact O-CA 3.32Å; I110-Q120 WeakPolarHBondContact O-CA 3.5Å; I110-I121 HydrophobicContact CB-CG1 4.49Å; I110-I121 PolarHBondContact N-O 2.68Å; I110-I121 VanDerWaalsContact N-O 3.09Å; I110-I121 PolarHBondContact O-N 3.41Å; I110-H123 HydrophobicContact CD1-CB 4.06Å; I110-H123 WeakPolarHBondContact CD1-ND1 3.4Å; I110-A126 HydrophobicContact CB-CB 4.37Å; I110-A126 HydrophobicContact CD1-CB 3.85Å; I110-A126 HydrophobicContact CG2-CB 4.2Å
111S80.5Confident71.1Confident16 Ų1659.9 Ų59.911%0.11232%0.315CS..  trans-98115.9166.9-173.60000109.4I113 I116 P117 L119 S249S111-I113 PolarHBondContact OG-O 3.35Å; S111-I116 PolarHBondContact OG-O 3.45Å; S111-P117 WeakPolarHBondContact OG-CA 3.33Å; S111-L119 WeakPolarHBondContact CA-O 3.35Å; S111-L119 PolarHBondContact OG-O 2.97Å; S111-S249 PolarHBondContact O-OG 3.34Å
112M72.6Confident72.9Confident28 Ų2850.6 Ų50.614%0.13827%0.273CS..  trans-97.9-9.5177.9-61.5-160.9-44.500113.1I110 I121 A126 H129 P252 L538I110-M112 HydrophobicContact CG2-CG 3.9Å; M112-I121 HydrophobicContact CE-CD1 3.3Å; M112-I121 HydrophobicContact CG-CD1 3.9Å; M112-I121 HydrophobicContact CG-CG1 4.38Å; M112-I121 HydrophobicContact SD-CD1 3.68Å; M112-A126 HydrophobicContact CG-CB 4.42Å; M112-A126 VanDerWaalsContact SD-CA 3.6Å; M112-A126 HydrophobicContact SD-CB 3.7Å; M112-H129 HydrophobicContact CE-CB 3.45Å; M112-H129 VanDerWaalsContact CE-CB 3.45Å; M112-H129 HydrophobicContact SD-CB 4.4Å; M112-P252 HydrophobicContact SD-CG 3.92Å; M112-L538 HydrophobicContact CE-CD1 3.5Å; M112-L538 HydrophobicContact CE-CD2 3.69Å; M112-L538 HydrophobicContact CE-CG 4.2Å
113I74.6Confident74.3Confident26 Ų2652.4 Ų52.413%0.13327%0.267CS..  trans-113.4106.8-179.4-58.9-174.8000108.2S111 S115 I116 L119 L538 V542S111-I113 PolarHBondContact OG-O 3.35Å; I113-S115 VanDerWaalsContact C-N 3.3Å; I113-S115 PolarHBondContact O-N 3.49Å; I113-I116 HydrophobicContact CG2-CB 4.43Å; I113-I116 HydrophobicContact CG2-CG1 4.31Å; I113-I116 CarbonylContact O-C 3.55Å; I113-I116 PolarHBondContact O-N 3.21Å; I113-L119 HydrophobicContact CD1-CD2 3.98Å; I113-L538 HydrophobicContact CD1-CB 4.41Å; I113-L538 HydrophobicContact CD1-CD2 3.86Å; I113-L538 HydrophobicContact CG1-CD2 4.08Å; I113-V542 HydrophobicContact CD1-CG2 3.08Å
114H69.7Low75.8Confident12 Ų1250.7 Ų50.76%0.05626%0.259CS..THydrogen-bonded Turntrans-52-46.5-174.4-55.3-91.4000113.3I116 H203 I231 L232 E236 L250H114-I116 PolarHBondContact O-N 2.77Å; H114-I116 VanDerWaalsContact O-N 3.15Å; H114-H203 AromaticContact CD2-ND1 3.95Å; H114-H203 AromaticContact NE2-CE1 3.94Å; H114-H203 AromaticContact NE2-ND1 3.12Å; H114-H203 PolarHBondContact NE2-ND1 2.62Å; H114-H203 VanDerWaalsContact NE2-ND1 3.12Å; H114-I231 WeakPolarHBondContact CB-O 3.28Å; H114-L232 HydrophobicContact CB-CD1 4.3Å; H114-L232 WeakPolarHBondContact ND1-CB 3.22Å; H114-L232 WeakPolarHBondContact ND1-CD1 3.43Å; H114-E236 WeakPolarHBondContact O-CG 3.47Å; H114-L250 WeakPolarHBondContact CE1-CD1 3.28Å; H114-L250 WeakPolarHBondContact CE1-CD2 3.18Å; H114-L250 WeakPolarHBondContact ND1-CD2 3.24Å
115S67.7Low77.5Confident28 Ų2850.4 Ų50.420%0.19625%0.252CS..THydrogen-bonded Turntrans-73.3-6.7-176.164.70000114.5I113I113-S115 VanDerWaalsContact C-N 3.3Å; I113-S115 PolarHBondContact O-N 3.49Å
116I77.9Confident79.1Confident38 Ų3849.4 Ų49.420%0.19525%0.245CC..  trans-137.268.6-178.4-44.9177.7000108.9L86 S111 I113 H114 E118 L119 V542L86-I116 HydrophobicContact CD1-CG2 4.02Å; S111-I116 PolarHBondContact OG-O 3.45Å; I113-I116 HydrophobicContact CG2-CB 4.43Å; I113-I116 HydrophobicContact CG2-CG1 4.31Å; I113-I116 CarbonylContact O-C 3.55Å; I113-I116 PolarHBondContact O-N 3.21Å; H114-I116 PolarHBondContact O-N 2.77Å; H114-I116 VanDerWaalsContact O-N 3.15Å; I116-E118 PolarHBondContact O-N 2.91Å; I116-E118 VanDerWaalsContact O-N 3.08Å; I116-L119 HydrophobicContact CB-CB 4.33Å; I116-L119 HydrophobicContact CG2-CB 3.9Å; I116-L119 WeakPolarHBondContact O-CB 3.49Å; I116-L119 PolarHBondContact O-N 2.9Å; I116-V542 HydrophobicContact CD1-CG1 3.57Å
117P74.2Confident80.5Confident38 Ų3843.2 Ų43.225%0.24722%0.22CC..THydrogen-bonded Turntrans-59.5-23.7-178.324.9-34.2000112.8S111 L119 E236S111-P117 WeakPolarHBondContact OG-CA 3.33Å; P117-L119 PolarHBondContact O-N 3.3Å; P117-E236 HydrophobicContact CB-CG 4.49Å; P117-E236 HydrophobicContact CG-CG 4.22Å
118E82.4Confident81.3Confident71 Ų7143.8 Ų43.833%0.33223%0.225SC..THydrogen-bonded Turntrans-74.9-12.8177.3-49.191.1157.600113.4L86 K87 I116 Q120L86-E118 CarbonylContact C-O 3.58Å; L86-E118 WeakPolarHBondContact CA-O 3.24Å; L86-E118 HydrophobicContact CD1-CB 4.45Å; K87-E118 HydrophobicContact CB-CB 4.43Å; K87-E118 HydrophobicContact CG-CB 3.49Å; K87-E118 VanDerWaalsContact CG-CB 3.49Å; K87-E118 HydrophobicContact CG-CG 3.86Å; K87-E118 PolarHBondContact N-O 3.27Å; I116-E118 PolarHBondContact O-N 2.91Å; I116-E118 VanDerWaalsContact O-N 3.08Å; E118-Q120 PolarHBondContact O-N 3.47Å
119L85.9Confident81.7Confident13 Ų1344.5 Ų44.57%0.06823%0.227CC..EExtended strand (participates in β ladder)trans-82.3106.3167.8-176.666.4000108.4V84 V85 L86 S111 I113 I116 P117 V542 V545V84-L119 HydrophobicContact CG1-CD1 4.02Å; V85-L119 WeakPolarHBondContact O-CA 3.44Å; L86-L119 HydrophobicContact CB-CD1 4.28Å; L86-L119 HydrophobicContact CD1-CB 3.97Å; L86-L119 HydrophobicContact CD1-CD1 4.26Å; S111-L119 WeakPolarHBondContact CA-O 3.35Å; S111-L119 PolarHBondContact OG-O 2.97Å; I113-L119 HydrophobicContact CD1-CD2 3.98Å; I116-L119 HydrophobicContact CB-CB 4.33Å; I116-L119 HydrophobicContact CG2-CB 3.9Å; I116-L119 WeakPolarHBondContact O-CB 3.49Å; I116-L119 PolarHBondContact O-N 2.9Å; P117-L119 PolarHBondContact O-N 3.3Å; L119-V542 HydrophobicContact CD2-CG2 3.86Å; L119-V545 HydrophobicContact CD1-CG1 4.46Å
120Q86.6Confident82Confident69 Ų6941.3 Ų41.332%0.32221%0.206SC..EExtended strand (participates in β ladder)trans-112.7143.2179-64.1-177.1-24.500110V85 A108 I110 E118V85-Q120 PolarHBondContact N-O 3.07Å; V85-Q120 PolarHBondContact O-N 2.8Å; V85-Q120 VanDerWaalsContact O-O 3.08Å; A108-Q120 HydrophobicContact CB-CB 4.05Å; I110-Q120 CarbonylContact O-C 3.52Å; I110-Q120 VanDerWaalsContact O-CA 3.32Å; I110-Q120 WeakPolarHBondContact O-CA 3.5Å; E118-Q120 PolarHBondContact O-N 3.47Å
121I87.5Confident82.5Confident7 Ų746.7 Ų46.74%0.03623%0.228CC..EExtended strand (participates in β ladder)trans-127.4161.917463.5173.8000111.2S83 V84 A108 S109 I110 M112 A126S83-I121 CarbonylContact O-C 3.5Å; S83-I121 WeakPolarHBondContact O-CA 3.3Å; V84-I121 HydrophobicContact CB-CG2 4.36Å; V84-I121 HydrophobicContact CG1-CG2 4.11Å; V84-I121 HydrophobicContact CG2-CG2 4Å; A108-I121 WeakPolarHBondContact CA-O 3.44Å; S109-I121 PolarHBondContact N-O 3.41Å; I110-I121 HydrophobicContact CB-CG1 4.49Å; I110-I121 PolarHBondContact N-O 2.68Å; I110-I121 VanDerWaalsContact N-O 3.09Å; I110-I121 PolarHBondContact O-N 3.41Å; M112-I121 HydrophobicContact CE-CD1 3.3Å; M112-I121 HydrophobicContact CG-CD1 3.9Å; M112-I121 HydrophobicContact CG-CG1 4.38Å; M112-I121 HydrophobicContact SD-CD1 3.68Å; I121-A126 VanDerWaalsContact CD1-CA 3.44Å; I121-A126 HydrophobicContact CD1-CB 3.71Å; I121-A126 HydrophobicContact CG1-CB 4.02Å
122S87.3Confident83.1Confident6 Ų648.1 Ų48.14%0.04224%0.241CC..EExtended strand (participates in β ladder)trans-68.4156.4173.171.60000110.9S83 R107 E124 E125 A126S83-S122 PolarHBondContact O-N 3.45Å; R107-S122 WeakPolarHBondContact O-CA 3.5Å; S122-E124 PolarHBondContact O-N 3.02Å; S122-E125 PolarHBondContact O-N 3.5Å; S122-E125 PolarHBondContact OG-N 3.41Å; S122-A126 WeakPolarHBondContact O-CB 3.3Å; S122-A126 PolarHBondContact O-N 3.37Å
123H85.5Confident83.9Confident90 Ų9049.6 Ų49.642%0.41725%0.25SC..Hα-helixtrans-57.8-38.2177-17364.8000112.9I110 A126 I127I110-H123 HydrophobicContact CD1-CB 4.06Å; I110-H123 WeakPolarHBondContact CD1-ND1 3.4Å; H123-A126 PolarHBondContact O-N 3.17Å; H123-I127 WeakPolarHBondContact NE2-CD1 3.4Å; H123-I127 WeakPolarHBondContact O-CG1 3.43Å; H123-I127 PolarHBondContact O-N 2.95Å
124E86.1Confident84.7Confident154 Ų15449.9 Ų49.972%0.7225%0.25SS*.Hα-helixtrans-64.4-44.3178.1-69.4163.517000112.2S122 A126 K128S122-E124 PolarHBondContact O-N 3.02Å; E124-A126 VanDerWaalsContact C-N 3.35Å; E124-K128 PolarHBondContact O-N 3.26Å; E124-K128 VanDerWaalsContact O-N 3.15Å
125E86.1Confident85.8Confident45 Ų4551.9 Ų51.921%0.2127%0.269CS..Hα-helixtrans-71.2-35.2178.1-15960-146.500110.6S122 I127 K128 H129S122-E125 PolarHBondContact O-N 3.5Å; S122-E125 PolarHBondContact OG-N 3.41Å; E125-I127 PolarHBondContact O-N 2.98Å; E125-K128 PolarHBondContact O-N 3.35Å; E125-K128 IonicContact OE1-NZ 3.52Å; E125-K128 PolarHBondContact OE1-NZ 2.99Å; E125-K128 IonicContact OE2-NZ 3.57Å; E125-H129 PolarHBondContact O-CD2 3.2Å; E125-H129 PolarHBondContact O-N 3.22Å; E125-H129 IonicContact OE1-CD2 3.55Å; E125-H129 IonicContact OE1-NE2 3.58Å
126A87.1Confident87.1Confident0 Ų054.7 Ų54.70%028%0.282CS..Hα-helixtrans-59.7-46.2174.400000112.3I110 M112 I121 S122 H123 E124 K128 H129 A130 P252I110-A126 HydrophobicContact CB-CB 4.37Å; I110-A126 HydrophobicContact CD1-CB 3.85Å; I110-A126 HydrophobicContact CG2-CB 4.2Å; M112-A126 HydrophobicContact CG-CB 4.42Å; M112-A126 VanDerWaalsContact SD-CA 3.6Å; M112-A126 HydrophobicContact SD-CB 3.7Å; I121-A126 VanDerWaalsContact CD1-CA 3.44Å; I121-A126 HydrophobicContact CD1-CB 3.71Å; I121-A126 HydrophobicContact CG1-CB 4.02Å; S122-A126 WeakPolarHBondContact O-CB 3.3Å; S122-A126 PolarHBondContact O-N 3.37Å; H123-A126 PolarHBondContact O-N 3.17Å; E124-A126 VanDerWaalsContact C-N 3.35Å; A126-K128 VanDerWaalsContact C-N 3.33Å; A126-K128 PolarHBondContact O-N 3.5Å; A126-H129 PolarHBondContact O-N 2.75Å; A126-A130 VanDerWaalsContact O-CB 3.23Å; A126-A130 WeakPolarHBondContact O-CB 3.32Å; A126-A130 PolarHBondContact O-N 3.08Å; A126-P252 HydrophobicContact CB-CB 4.29Å; A126-P252 HydrophobicContact CB-CG 3.95Å
127I88.7Confident88Confident49 Ų4953.8 Ų53.825%0.25128%0.278SS..Hα-helixtrans-61.3-43.6175.2-72170000111.1H123 E125 H129 A130 K131H123-I127 WeakPolarHBondContact NE2-CD1 3.4Å; H123-I127 WeakPolarHBondContact O-CG1 3.43Å; H123-I127 PolarHBondContact O-N 2.95Å; E125-I127 PolarHBondContact O-N 2.98Å; I127-H129 VanDerWaalsContact C-N 3.35Å; I127-H129 PolarHBondContact O-N 2.95Å; I127-A130 PolarHBondContact O-N 3.33Å; I127-K131 HydrophobicContact CG2-CD 4.14Å; I127-K131 HydrophobicContact CG2-CG 4.49Å; I127-K131 WeakPolarHBondContact O-CB 3.31Å; I127-K131 WeakPolarHBondContact O-CG 3.23Å; I127-K131 PolarHBondContact O-N 2.94Å
128K88.5Confident89Confident126 Ų12654.1 Ų54.155%0.54828%0.277SS..Hα-helixtrans-63.4-43.1-177.7179.4174.4153.1-130.70111.7E124 E125 A126 A132E124-K128 PolarHBondContact O-N 3.26Å; E124-K128 VanDerWaalsContact O-N 3.15Å; E125-K128 PolarHBondContact O-N 3.35Å; E125-K128 IonicContact OE1-NZ 3.52Å; E125-K128 PolarHBondContact OE1-NZ 2.99Å; E125-K128 IonicContact OE2-NZ 3.57Å; A126-K128 VanDerWaalsContact C-N 3.33Å; A126-K128 PolarHBondContact O-N 3.5Å; K128-A132 PolarHBondContact O-N 2.81Å
129H85.9Confident89.6Confident26 Ų2654.5 Ų54.512%0.1229%0.292CS..Hα-helixtrans-66.8-47.5174.4-81.5-63.1000112.6M112 E125 A126 I127 K131 A132 D133 L538M112-H129 HydrophobicContact CE-CB 3.45Å; M112-H129 VanDerWaalsContact CE-CB 3.45Å; M112-H129 HydrophobicContact SD-CB 4.4Å; E125-H129 PolarHBondContact O-CD2 3.2Å; E125-H129 PolarHBondContact O-N 3.22Å; E125-H129 IonicContact OE1-CD2 3.55Å; E125-H129 IonicContact OE1-NE2 3.58Å; A126-H129 PolarHBondContact O-N 2.75Å; I127-H129 VanDerWaalsContact C-N 3.35Å; I127-H129 PolarHBondContact O-N 2.95Å; H129-K131 PolarHBondContact O-N 2.86Å; H129-A132 CarbonylContact O-C 3.58Å; H129-A132 WeakPolarHBondContact O-CA 3.47Å; H129-A132 WeakPolarHBondContact O-CB 3.15Å; H129-A132 PolarHBondContact O-N 2.88Å; H129-D133 PolarHBondContact O-N 2.81Å; H129-L538 HydrophobicContact CB-CD1 3.65Å; H129-L538 WeakPolarHBondContact ND1-CD1 3.48Å
130A87.5Confident90.1Very high13 Ų1359 Ų5911%0.10732%0.316CS..Hα-helixtrans-57.6-38.2178.300000112A126 I127 D133 E134 P252 C253A126-A130 VanDerWaalsContact O-CB 3.23Å; A126-A130 WeakPolarHBondContact O-CB 3.32Å; A126-A130 PolarHBondContact O-N 3.08Å; I127-A130 PolarHBondContact O-N 3.33Å; A130-D133 PolarHBondContact O-N 3.38Å; A130-E134 VanDerWaalsContact O-CB 3.24Å; A130-E134 WeakPolarHBondContact O-CB 3.27Å; A130-E134 PolarHBondContact O-N 3Å; A130-P252 HydrophobicContact CB-CB 4.31Å; A130-P252 HydrophobicContact CB-CG 4.27Å; A130-C253 HydrophobicContact CB-CB 4.06Å; A130-C253 VanDerWaalsContact CB-SG 3.56Å
131K91.4Very high90.7Very high125 Ų12561.4 Ų61.454%0.54332%0.322SS..Hα-helixtrans-64.8-36.4172.4-75.8179.1179178.90113.4I127 H129 A135I127-K131 HydrophobicContact CG2-CD 4.14Å; I127-K131 HydrophobicContact CG2-CG 4.49Å; I127-K131 WeakPolarHBondContact O-CB 3.31Å; I127-K131 WeakPolarHBondContact O-CG 3.23Å; I127-K131 PolarHBondContact O-N 2.94Å; H129-K131 PolarHBondContact O-N 2.86Å; K131-A135 WeakPolarHBondContact O-CB 3.41Å; K131-A135 PolarHBondContact O-N 3.29Å
132A91.1Very high91.2Very high47 Ų4764.1 Ų64.139%0.38833%0.334SS..Hα-helixtrans-70.4-42.8176.800000111.1K128 H129 A135 N136K128-A132 PolarHBondContact O-N 2.81Å; H129-A132 CarbonylContact O-C 3.58Å; H129-A132 WeakPolarHBondContact O-CA 3.47Å; H129-A132 WeakPolarHBondContact O-CB 3.15Å; H129-A132 PolarHBondContact O-N 2.88Å; A132-A135 PolarHBondContact O-N 2.86Å; A132-N136 PolarHBondContact O-N 3.28Å; A132-N136 PolarHBondContact O-ND2 3.42Å; A132-N136 VanDerWaalsContact O-ND2 3.16Å
133D90.1Very high91.7Very high59 Ų5963.8 Ų63.832%0.31633%0.332SS..Hα-helixtrans-63.1-43.9176.3-65.8-21.5000110.7H129 A130 A135 N136 L137H129-D133 PolarHBondContact O-N 2.81Å; A130-D133 PolarHBondContact O-N 3.38Å; D133-A135 PolarHBondContact O-N 3.38Å; D133-N136 WeakPolarHBondContact O-CB 3.49Å; D133-N136 PolarHBondContact O-N 3.34Å; D133-L137 WeakPolarHBondContact O-CG 3.37Å; D133-L137 PolarHBondContact O-N 3.32Å
134E91.8Very high92.3Very high31 Ų3159.7 Ų59.715%0.14531%0.313CS..Hα-helixtrans-58.4-47.2172.8177.5169.9-127.100112.7A130 N136 L137 L138 M257 R385A130-E134 VanDerWaalsContact O-CB 3.24Å; A130-E134 WeakPolarHBondContact O-CB 3.27Å; A130-E134 PolarHBondContact O-N 3Å; E134-N136 VanDerWaalsContact C-N 3.27Å; E134-N136 PolarHBondContact O-N 3.02Å; E134-L137 PolarHBondContact O-N 3.44Å; E134-L138 HydrophobicContact CG-CD1 4.19Å; E134-L138 WeakPolarHBondContact O-CG 3.42Å; E134-L138 PolarHBondContact O-N 3.48Å; E134-M257 HydrophobicContact CG-SD 3.77Å; E134-R385 VanDerWaalsContact CD-NH1 3.32Å; E134-R385 IonicContact OE1-CZ 3.58Å; E134-R385 IonicContact OE1-NE 3.84Å; E134-R385 PolarHBondContact OE1-NE 3.1Å; E134-R385 IonicContact OE1-NH1 2.62Å; E134-R385 PolarHBondContact OE1-NH1 2.77Å; E134-R385 IonicContact OE1-NH2 2.66Å; E134-R385 PolarHBondContact OE1-NH2 3.41Å; E134-R385 IonicContact OE2-CZ 3.6Å; E134-R385 IonicContact OE2-NH1 3.01Å; E134-R385 PolarHBondContact OE2-NH1 3.4Å; E134-R385 IonicContact OE2-NH2 3.96Å; E134-R385 PolarHBondContact OE2-NH2 2.98Å
135A93.4Very high92.9Very high54 Ų5452.3 Ų52.345%0.44628%0.279SS..Hα-helixtrans-61.1-38.4176.600000111.8K131 A132 D133 A139K131-A135 WeakPolarHBondContact O-CB 3.41Å; K131-A135 PolarHBondContact O-N 3.29Å; A132-A135 PolarHBondContact O-N 2.86Å; D133-A135 PolarHBondContact O-N 3.38Å; A135-A139 VanDerWaalsContact O-CB 3.27Å; A135-A139 WeakPolarHBondContact O-CB 3.34Å; A135-A139 PolarHBondContact O-N 2.82Å
136N94.9Very high93.4Very high87 Ų8750.3 Ų50.347%0.46527%0.269SS..Hα-helixtrans-66.9-42.8176.2-70.4-30.8000112.1A132 D133 E134 A139 N140A132-N136 PolarHBondContact O-N 3.28Å; A132-N136 PolarHBondContact O-ND2 3.42Å; A132-N136 VanDerWaalsContact O-ND2 3.16Å; D133-N136 WeakPolarHBondContact O-CB 3.49Å; D133-N136 PolarHBondContact O-N 3.34Å; E134-N136 VanDerWaalsContact C-N 3.27Å; E134-N136 PolarHBondContact O-N 3.02Å; N136-A139 PolarHBondContact O-N 2.9Å; N136-N140 WeakPolarHBondContact O-CB 3.38Å; N136-N140 PolarHBondContact O-N 3.49Å; N136-N140 PolarHBondContact O-ND2 3.06Å
137L95.5Very high94Very high20 Ų2050.3 Ų50.311%0.10527%0.269CS..Hα-helixtrans-58.9-50.4175.7-73.1170.4000110.4D133 E134 A139 N140 R141 K142 V144 E201 M257D133-L137 WeakPolarHBondContact O-CG 3.37Å; D133-L137 PolarHBondContact O-N 3.32Å; E134-L137 PolarHBondContact O-N 3.44Å; L137-A139 PolarHBondContact O-N 3.14Å; L137-N140 CarbonylContact O-C 3.48Å; L137-N140 PolarHBondContact O-N 3.34Å; L137-R141 PolarHBondContact O-N 2.79Å; L137-K142 HydrophobicContact CD2-CB 3.84Å; L137-K142 PolarHBondContact O-N 3Å; L137-V144 HydrophobicContact CD1-CG2 3.6Å; L137-V144 HydrophobicContact CD2-CG2 4.49Å; L137-E201 HydrophobicContact CD2-CB 3.9Å; L137-M257 HydrophobicContact CB-CE 3.69Å; L137-M257 HydrophobicContact CD1-CE 4.31Å
138L94.9Very high94.4Very high44 Ų4448.4 Ų48.423%0.2326%0.259CS..Hα-helixtrans-61.5-44.1178.8-67.8172.2000112.4E134 N140 R141 M257 F372 L376E134-L138 HydrophobicContact CG-CD1 4.19Å; E134-L138 WeakPolarHBondContact O-CG 3.42Å; E134-L138 PolarHBondContact O-N 3.48Å; L138-N140 PolarHBondContact O-N 2.68Å; L138-R141 PolarHBondContact O-N 2.97Å; L138-R141 VanDerWaalsContact O-N 3.1Å; L138-M257 HydrophobicContact CD1-SD 4.47Å; L138-M257 HydrophobicContact CD2-CE 3.54Å; L138-M257 HydrophobicContact CD2-SD 3.9Å; L138-M257 HydrophobicContact CG-CE 3.8Å; L138-M257 HydrophobicContact CG-SD 4.02Å; L138-F372 HydrophobicContact CD2-CE1 4.14Å; L138-F372 HydrophobicContact CD2-CZ 4.48Å; L138-L376 HydrophobicContact CD2-CD2 3.94Å
139A95.8Very high94.9Very high79 Ų7942.4 Ų42.465%0.65323%0.233SC*.Hα-helixtrans-61.2-34.4178.300000112.5A135 N136 L137A135-A139 VanDerWaalsContact O-CB 3.27Å; A135-A139 WeakPolarHBondContact O-CB 3.34Å; A135-A139 PolarHBondContact O-N 2.82Å; N136-A139 PolarHBondContact O-N 2.9Å; L137-A139 PolarHBondContact O-N 3.14Å
140N97.2Very high95.4Very high108 Ų10841.3 Ų41.358%0.57823%0.229SC*.THydrogen-bonded Turntrans-92.66.8178.1-68.5-68.7000113.6N136 L137 L138 K142N136-N140 WeakPolarHBondContact O-CB 3.38Å; N136-N140 PolarHBondContact O-N 3.49Å; N136-N140 PolarHBondContact O-ND2 3.06Å; L137-N140 CarbonylContact O-C 3.48Å; L137-N140 PolarHBondContact O-N 3.34Å; L138-N140 PolarHBondContact O-N 2.68Å; N140-K142 VanDerWaalsContact C-N 3.26Å; N140-K142 HydrophobicContact CB-CG 4.31Å; N140-K142 PolarHBondContact O-N 3.07Å
141R97.7Very high95.8Very high119 Ų11941 Ų4145%0.44923%0.225SC..THydrogen-bonded Turntrans51.441.8-173.1-60.8-175.468.191.2-11.2113.5L137 L138 H369 Y373 E377L137-R141 PolarHBondContact O-N 2.79Å; L138-R141 PolarHBondContact O-N 2.97Å; L138-R141 VanDerWaalsContact O-N 3.1Å; R141-H369 PolarHBondContact O-CE1 2.96Å; R141-H369 PolarHBondContact O-NE2 3.02Å; R141-Y373 VanDerWaalsContact C-CZ 3.43Å; R141-Y373 WeakPolarHBondContact CA-OH 3.49Å; R141-Y373 HydrophobicContact CB-CE1 4.05Å; R141-Y373 HydrophobicContact CB-CE2 4.31Å; R141-Y373 HydrophobicContact CG-CD1 4.4Å; R141-Y373 HydrophobicContact CG-CE1 4.06Å; R141-Y373 VanDerWaalsContact NH2-CB 3.32Å; R141-E377 IonicContact CZ-OE1 2.74Å; R141-E377 IonicContact NH1-OE1 2.77Å; R141-E377 PolarHBondContact NH1-OE1 2.75Å; R141-E377 IonicContact NH2-OE1 3.67Å; R141-E377 PolarHBondContact NH2-OE1 3.11Å
142K98.4Very high96.1Very high64 Ų6435.1 Ų35.128%0.27820%0.2SC..  trans-107.9155175.7-66.5-164.9-179.8-166.20112.8L137 N140 S197 L199 M257 Y373L137-K142 HydrophobicContact CD2-CB 3.84Å; L137-K142 PolarHBondContact O-N 3Å; N140-K142 VanDerWaalsContact C-N 3.26Å; N140-K142 HydrophobicContact CB-CG 4.31Å; N140-K142 PolarHBondContact O-N 3.07Å; K142-S197 WeakPolarHBondContact CE-O 3.46Å; K142-S197 PolarHBondContact NZ-O 3.38Å; K142-L199 VanDerWaalsContact CA-O 3.24Å; K142-L199 WeakPolarHBondContact CA-O 3.35Å; K142-M257 WeakPolarHBondContact O-CE 3.49Å; K142-Y373 PolarHBondContact N-OH 2.89Å; K142-Y373 VanDerWaalsContact N-OH 3.07Å; K142-Y373 PolarHBondContact O-OH 2.74Å
143L98.2Very high96.5Very high0 Ų032.9 Ų32.90%018%0.181CC..EExtended strand (participates in β ladder)trans-114.2-179.6165.7-68.5172.3000109.1L199 Y200 E201 M257 H369 F372 Y373 L388L143-L199 PolarHBondContact N-O 3.02Å; L143-Y200 HydrophobicContact CB-CD1 3.55Å; L143-Y200 HydrophobicContact CB-CE1 3.53Å; L143-Y200 HydrophobicContact CD1-CE1 3.93Å; L143-Y200 HydrophobicContact CG-CE1 4.36Å; L143-Y200 CarbonylContact O-C 3.59Å; L143-Y200 WeakPolarHBondContact O-CA 3.49Å; L143-E201 PolarHBondContact O-N 3.28Å; L143-M257 HydrophobicContact CD2-CB 3.98Å; L143-M257 HydrophobicContact CD2-CE 3.94Å; L143-M257 HydrophobicContact CD2-CG 4.17Å; L143-H369 HydrophobicContact CD1-CB 4.32Å; L143-F372 HydrophobicContact CD1-CB 4.11Å; L143-F372 HydrophobicContact CD1-CD1 4.5Å; L143-F372 HydrophobicContact CD1-CG 4.22Å; L143-F372 HydrophobicContact CD2-CD1 3.73Å; L143-F372 HydrophobicContact CD2-CD2 4.1Å; L143-F372 HydrophobicContact CD2-CE1 3.75Å; L143-F372 HydrophobicContact CD2-CE2 4.09Å; L143-F372 HydrophobicContact CD2-CG 3.92Å; L143-F372 HydrophobicContact CD2-CZ 3.94Å; L143-F372 HydrophobicContact CG-CD1 4.47Å; L143-Y373 HydrophobicContact CG-CE2 4.29Å; L143-L388 HydrophobicContact CD1-CD1 4.13Å; L143-L388 HydrophobicContact CD1-CD2 4.28Å; L143-L388 HydrophobicContact CD2-CD1 4.35Å
144V97.9Very high96.8Very high3 Ų330.1 Ų30.12%0.01817%0.166CC..EExtended strand (participates in β ladder)trans-102137.7170.5178.70000109.6L137 L146 E201 F251 M257 V258 C259L137-V144 HydrophobicContact CD1-CG2 3.6Å; L137-V144 HydrophobicContact CD2-CG2 4.49Å; V144-L146 HydrophobicContact CG1-CD2 4.26Å; V144-E201 WeakPolarHBondContact CA-O 3.3Å; V144-F251 HydrophobicContact CB-CE1 4.36Å; V144-F251 HydrophobicContact CG1-CE1 3.86Å; V144-F251 HydrophobicContact CG1-CZ 3.67Å; V144-F251 HydrophobicContact CG2-CE1 4.06Å; V144-M257 PolarHBondContact N-O 3.48Å; V144-V258 HydrophobicContact CB-CG2 4.24Å; V144-V258 HydrophobicContact CG1-CG1 4.4Å; V144-C259 PolarHBondContact O-N 3.33Å
145L98.5Very high97.1Very high0 Ų028.7 Ų28.70%016%0.159CC..EExtended strand (participates in β ladder)trans-119.6111.6171.4-173.265.5000109.7V147 M196 Y200 E201 L202 H203 C259 I261 L365L145-V147 HydrophobicContact CB-CG2 4.46Å; L145-V147 HydrophobicContact CD2-CG2 3.89Å; L145-V147 HydrophobicContact CG-CG2 3.74Å; L145-M196 HydrophobicContact CD2-CB 4.4Å; L145-Y200 HydrophobicContact CB-CD1 3.7Å; L145-Y200 HydrophobicContact CB-CG 3.83Å; L145-E201 PolarHBondContact N-O 2.79Å; L145-L202 HydrophobicContact CB-CG 4.45Å; L145-L202 HydrophobicContact CD2-CG 4.43Å; L145-L202 WeakPolarHBondContact O-CA 3.38Å; L145-H203 PolarHBondContact O-N 2.66Å; L145-C259 CarbonylContact C-O 3.52Å; L145-C259 WeakPolarHBondContact CA-O 3.44Å; L145-C259 HydrophobicContact CD1-CB 3.94Å; L145-I261 HydrophobicContact CD1-CG1 4.29Å; L145-I261 HydrophobicContact CD1-CG2 4.09Å; L145-I261 HydrophobicContact CD2-CD1 4.25Å; L145-I261 HydrophobicContact CG-CG1 4.49Å; L145-L365 HydrophobicContact CD1-CD1 4.23Å; L145-L365 HydrophobicContact CD1-CD2 3.94Å; L145-L365 HydrophobicContact CD2-CD1 3.87Å
146L97.6Very high97.2Very high2 Ų226.1 Ų26.11%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-82.5125167.3-60-172.5000109.1V144 H203 L247 F251 V258 C259 I260 I261 W268V144-L146 HydrophobicContact CG1-CD2 4.26Å; L146-H203 HydrophobicContact CD2-CB 3.6Å; L146-L247 HydrophobicContact CD1-CD2 3.51Å; L146-F251 HydrophobicContact CD1-CE2 4.11Å; L146-F251 HydrophobicContact CD2-CE2 4.04Å; L146-F251 HydrophobicContact CD2-CZ 3.89Å; L146-F251 HydrophobicContact CG-CE2 4.39Å; L146-V258 HydrophobicContact CD1-CG1 3.87Å; L146-V258 HydrophobicContact CG-CG1 3.75Å; L146-C259 PolarHBondContact N-O 2.66Å; L146-I260 HydrophobicContact CB-CG1 4.26Å; L146-I260 HydrophobicContact CB-CG2 4.28Å; L146-I260 HydrophobicContact CD1-CD1 4.43Å; L146-I260 HydrophobicContact CD1-CG1 4.17Å; L146-I260 HydrophobicContact CG-CG1 4.47Å; L146-I261 PolarHBondContact O-N 2.98Å; L146-W268 HydrophobicContact CD1-CH2 3.63Å; L146-W268 HydrophobicContact CD1-CZ3 4.15Å
147V98.3Very high97.1Very high0 Ų022 Ų220%012%0.117CC..EExtended strand (participates in β ladder)trans-120.6118.9-170.5-179.90000109.6L145 L153 L202 H203 I204 C205 I261L145-V147 HydrophobicContact CB-CG2 4.46Å; L145-V147 HydrophobicContact CD2-CG2 3.89Å; L145-V147 HydrophobicContact CG-CG2 3.74Å; V147-L153 HydrophobicContact CG1-CD1 3.39Å; V147-L153 HydrophobicContact CG1-CG 3.95Å; V147-L202 HydrophobicContact CG2-CD2 4.41Å; V147-H203 WeakPolarHBondContact CB-O 3.39Å; V147-H203 PolarHBondContact N-O 3.28Å; V147-I204 CarbonylContact O-C 3.5Å; V147-I204 WeakPolarHBondContact O-CA 3.07Å; V147-C205 PolarHBondContact O-N 3.24Å; V147-I261 HydrophobicContact CB-CD1 4.42Å; V147-I261 HydrophobicContact CB-CG1 4.32Å; V147-I261 HydrophobicContact CG1-CD1 4.07Å; V147-I261 HydrophobicContact CG1-CG1 4.32Å; V147-I261 HydrophobicContact CG2-CD1 4.03Å; V147-I261 HydrophobicContact CG2-CG1 4.12Å
148D98Very high96.9Very high9 Ų923.1 Ų23.15%0.04812%0.122CC..  trans-77.5161.1165.6179.759.7000112.4T152 K243 I261 D262D148-T152 HydrophobicContact CB-CG2 4.29Å; D148-T152 WeakPolarHBondContact O-CB 3.33Å; D148-T152 WeakPolarHBondContact O-CG2 3.46Å; D148-T152 WeakPolarHBondContact OD2-CB 3.46Å; D148-T152 PolarHBondContact OD2-OG1 2.92Å; D148-K243 VanDerWaalsContact CG-NZ 3.27Å; D148-K243 IonicContact OD1-NZ 2.88Å; D148-K243 PolarHBondContact OD1-NZ 2.73Å; D148-I261 PolarHBondContact N-O 3.34Å; D148-I261 VanDerWaalsContact N-O 3.12Å; D148-D262 HydrophobicContact CB-CB 4.08Å; D148-D262 WeakPolarHBondContact CB-OD2 3.46Å
149L98.2Very high96.6Very high0 Ų026.1 Ų26.10%014%0.135CC..  trans-102.3-73.2-177.3-63.1-179.5000112.5T152 L153 I154 I204 T206 V216 L220L149-T152 PolarHBondContact O-N 2.85Å; L149-T152 VanDerWaalsContact O-N 3.14Å; L149-L153 PolarHBondContact O-N 3.18Å; L149-I154 HydrophobicContact CB-CD1 4.14Å; L149-I154 HydrophobicContact CB-CG1 4.14Å; L149-I154 VanDerWaalsContact O-CG1 3.3Å; L149-I154 WeakPolarHBondContact O-CG1 3.28Å; L149-I154 PolarHBondContact O-N 2.76Å; L149-I204 HydrophobicContact CD1-CG2 3.85Å; L149-I204 HydrophobicContact CD2-CD1 4.06Å; L149-I204 HydrophobicContact CD2-CG1 4.09Å; L149-I204 HydrophobicContact CD2-CG2 4.11Å; L149-I204 HydrophobicContact CG-CG2 3.87Å; L149-T206 HydrophobicContact CD1-CG2 3.88Å; L149-T206 HydrophobicContact CG-CG2 4.5Å; L149-V216 HydrophobicContact CD1-CB 4.19Å; L149-V216 HydrophobicContact CD1-CG1 3.94Å; L149-V216 HydrophobicContact CD2-CG1 4.11Å; L149-L220 HydrophobicContact CD2-CD1 3.98Å
150D97.1Very high96Very high4 Ų427.1 Ų27.12%0.02113%0.129CC..BIsolated β-bridgetrans-68.7129.7-169.8-68.2-72.3000111.5T152 Y212 N290D150-T152 PolarHBondContact O-N 3.05Å; D150-Y212 PolarHBondContact OD1-OH 3.21Å; D150-Y212 WeakPolarHBondContact OD2-CE1 3.35Å; D150-Y212 PolarHBondContact OD2-OH 3.42Å; D150-N290 PolarHBondContact OD2-ND2 2.8Å
151Q96.1Very high95.4Very high7 Ų722.6 Ų22.63%0.03311%0.105CC..THydrogen-bonded Turntrans59.71.8-170.5-53.7-162.5-100115.3I154 D263 P279 Y280 D288Q151-I154 WeakPolarHBondContact CA-O 3.09Å; Q151-I154 PolarHBondContact N-O 3.3Å; Q151-D263 HydrophobicContact CB-CB 4.43Å; Q151-P279 HydrophobicContact CB-CB 4.23Å; Q151-P279 CarbonylContact O-C 3.57Å; Q151-P279 WeakPolarHBondContact O-CA 3.37Å; Q151-Y280 PolarHBondContact O-N 2.9Å; Q151-D288 HydrophobicContact CG-CB 4.41Å; Q151-D288 VanDerWaalsContact NE2-N 3.11Å
152T97.8Very high94.7Very high1 Ų119.3 Ų19.31%0.00610%0.096CC..THydrogen-bonded Turntrans-100.6-65.8172.6-65.80000111.6D148 L149 D150 R186 I261 D263 V277D148-T152 HydrophobicContact CB-CG2 4.29Å; D148-T152 WeakPolarHBondContact O-CB 3.33Å; D148-T152 WeakPolarHBondContact O-CG2 3.46Å; D148-T152 WeakPolarHBondContact OD2-CB 3.46Å; D148-T152 PolarHBondContact OD2-OG1 2.92Å; L149-T152 PolarHBondContact O-N 2.85Å; L149-T152 VanDerWaalsContact O-N 3.14Å; D150-T152 PolarHBondContact O-N 3.05Å; T152-R186 VanDerWaalsContact O-CD 3.26Å; T152-R186 WeakPolarHBondContact O-CD 3.26Å; T152-R186 PolarHBondContact O-NH1 3.33Å; T152-I261 HydrophobicContact CG2-CD1 4.48Å; T152-I261 HydrophobicContact CG2-CG1 4.47Å; T152-D263 PolarHBondContact OG1-N 3.12Å; T152-V277 HydrophobicContact CG2-CG2 3.88Å
153L98.3Very high93.8Very high0 Ų017 Ų170%09%0.088CC..THydrogen-bonded Turntrans-108-20.7178.9-66.7-170.5000113.9V147 L149 R186 T189 F192 L193 L358V147-L153 HydrophobicContact CG1-CD1 3.39Å; V147-L153 HydrophobicContact CG1-CG 3.95Å; L149-L153 PolarHBondContact O-N 3.18Å; L153-R186 WeakPolarHBondContact O-CB 3.22Å; L153-R186 PolarHBondContact O-N 3.21Å; L153-T189 HydrophobicContact CB-CG2 4.2Å; L153-T189 HydrophobicContact CD1-CG2 4.34Å; L153-T189 PolarHBondContact O-OG1 2.75Å; L153-T189 VanDerWaalsContact O-OG1 3.08Å; L153-F192 HydrophobicContact CD2-CD1 4.11Å; L153-F192 HydrophobicContact CD2-CE1 4.01Å; L153-L193 HydrophobicContact CD1-CD1 4.32Å; L153-L193 HydrophobicContact CD1-CD2 3.81Å; L153-L193 HydrophobicContact CD1-CG 4.32Å; L153-L358 HydrophobicContact CD2-CD1 4.06Å; L153-L358 HydrophobicContact CD2-CD2 4.03Å
154I97.8Very high92.9Very high0 Ų018.4 Ų18.40%010%0.102CC..EExtended strand (participates in β ladder)trans-138.4163.3-176.563.1163.8000110.4L149 Q151 M183 R184 L185 Y212 V216 L220L149-I154 HydrophobicContact CB-CD1 4.14Å; L149-I154 HydrophobicContact CB-CG1 4.14Å; L149-I154 VanDerWaalsContact O-CG1 3.3Å; L149-I154 WeakPolarHBondContact O-CG1 3.28Å; L149-I154 PolarHBondContact O-N 2.76Å; Q151-I154 WeakPolarHBondContact CA-O 3.09Å; Q151-I154 PolarHBondContact N-O 3.3Å; I154-M183 HydrophobicContact CB-CG 3.98Å; I154-M183 HydrophobicContact CB-SD 4.13Å; I154-M183 HydrophobicContact CD1-CG 3.96Å; I154-M183 HydrophobicContact CD1-SD 3.48Å; I154-M183 WeakPolarHBondContact CD1-SD 3.34Å; I154-M183 HydrophobicContact CG1-SD 4.42Å; I154-M183 HydrophobicContact CG2-CG 4.29Å; I154-M183 HydrophobicContact CG2-SD 3.95Å; I154-R184 CarbonylContact C-O 3.58Å; I154-R184 VanDerWaalsContact CA-O 3.3Å; I154-R184 WeakPolarHBondContact CA-O 3.49Å; I154-L185 HydrophobicContact CG2-CD2 3.49Å; I154-L185 VanDerWaalsContact CG2-CD2 3.49Å; I154-Y212 WeakPolarHBondContact CD1-OH 3.3Å; I154-V216 HydrophobicContact CD1-CB 4.49Å; I154-V216 HydrophobicContact CD1-CG1 3.7Å; I154-V216 HydrophobicContact CD1-CG2 3.95Å; I154-L220 HydrophobicContact CG2-CD2 4.4Å
155H96.8Very high92.3Very high1 Ų119.9 Ų19.91%0.00511%0.11CC..EExtended strand (participates in β ladder)trans-133127.5164.4-170.5-161.8000108.5M183 R184 Y280 F282 F283 T286 G287H155-M183 WeakPolarHBondContact O-CA 3.34Å; H155-R184 PolarHBondContact N-O 3.24Å; H155-R184 PolarHBondContact O-N 3Å; H155-Y280 HydrophobicContact CB-CD1 3.69Å; H155-Y280 HydrophobicContact CB-CE1 3.84Å; H155-F282 HydrophobicContact CB-CB 4.43Å; H155-F282 PolarHBondContact ND1-N 3.21Å; H155-F283 HydrophobicContact CB-CD2 4.43Å; H155-F283 PolarHBondContact CE1-O 2.91Å; H155-F283 VanDerWaalsContact CE1-O 3.29Å; H155-F283 AromaticContact CG-CD2 3.97Å; H155-F283 AromaticContact ND1-CD2 3.76Å; H155-F283 PolarHBondContact ND1-N 3.45Å; H155-F283 VanDerWaalsContact ND1-N 3.13Å; H155-F283 VanDerWaalsContact O-CE2 3.3Å; H155-F283 WeakPolarHBondContact O-CE2 3.44Å; H155-T286 PolarHBondContact CE1-O 3.27Å; H155-T286 PolarHBondContact NE2-O 3.24Å; H155-G287 PolarHBondContact NE2-O 3.14Å
156T96Very high91.7Very high0 Ų027.3 Ų27.30%014%0.142CC..EExtended strand (participates in β ladder)trans-119.9137.4-176.5-550000110.9Y181 H182 M183 Y212 I289T156-Y181 HydrophobicContact CG2-CD1 3.86Å; T156-Y181 HydrophobicContact CG2-CG 4.46Å; T156-H182 CarbonylContact C-O 3.57Å; T156-H182 VanDerWaalsContact CA-O 3.29Å; T156-H182 WeakPolarHBondContact CA-O 3.41Å; T156-M183 HydrophobicContact CG2-CB 4.34Å; T156-M183 WeakPolarHBondContact OG1-CG 3.38Å; T156-Y212 WeakPolarHBondContact CB-OH 3.27Å; T156-Y212 HydrophobicContact CG2-CE2 4.21Å; T156-Y212 PolarHBondContact OG1-OH 3.49Å; T156-I289 HydrophobicContact CG2-CD1 3.61Å; T156-I289 WeakPolarHBondContact O-CG2 3.5Å
157T93.6Very high91.3Very high2 Ų231.5 Ų31.51%0.01217%0.165CC..EExtended strand (participates in β ladder)trans-126.9155.9171.7-170.50000112.2E159 V161 H182 F283 T286T157-E159 WeakPolarHBondContact OG1-CB 3.14Å; T157-E159 PolarHBondContact OG1-N 3.31Å; T157-E159 VanDerWaalsContact OG1-N 3.12Å; T157-V161 HydrophobicContact CG2-CG2 3.53Å; T157-H182 HydrophobicContact CG2-CB 3.86Å; T157-H182 PolarHBondContact N-O 3.15Å; T157-H182 PolarHBondContact O-N 3.38Å; T157-F283 HydrophobicContact CG2-CB 4.38Å; T157-F283 HydrophobicContact CG2-CD1 3.71Å; T157-F283 HydrophobicContact CG2-CD2 3.67Å; T157-F283 HydrophobicContact CG2-CE1 3.81Å; T157-F283 HydrophobicContact CG2-CE2 3.76Å; T157-F283 HydrophobicContact CG2-CG 3.65Å; T157-F283 HydrophobicContact CG2-CZ 3.84Å; T157-T286 WeakPolarHBondContact CB-OG1 3.43Å; T157-T286 PolarHBondContact OG1-OG1 2.91Å
158N90.8Very high91Very high43 Ų4332.1 Ų32.123%0.2317%0.169CC..  trans-1072.7172.4-52.374.8000111.6V179 Y181N158-V179 HydrophobicContact CB-CG1 4.02Å; N158-Y181 WeakPolarHBondContact ND2-CE1 3.43Å
159E88Confident90.8Very high107 Ų10733.7 Ų33.750%0.518%0.175SC..SBendtrans-75.5162175.9-64-173173.600111T157 V161 H182T157-E159 WeakPolarHBondContact OG1-CB 3.14Å; T157-E159 PolarHBondContact OG1-N 3.31Å; T157-E159 VanDerWaalsContact OG1-N 3.12Å; E159-V161 PolarHBondContact O-N 3.21Å; E159-V161 VanDerWaalsContact O-N 3.13Å; E159-H182 PolarHBondContact O-CD2 2.97Å; E159-H182 PolarHBondContact O-NE2 3.24Å
160L84Confident90.6Very high100 Ų10034 Ų3452%0.52418%0.177SC..  trans-64.3111.1176-98.1143.7000110P338 F343L160-P338 HydrophobicContact CD2-CG 3.9Å; L160-F343 HydrophobicContact CB-CZ 3.88Å; L160-F343 HydrophobicContact CD2-CE2 3.58Å; L160-F343 HydrophobicContact CD2-CZ 3.62Å; L160-F343 HydrophobicContact CG-CZ 4.41Å
161V84.4Confident90.5Very high12 Ų1233.9 Ų33.97%0.07318%0.176CC..  trans-113.6141.2175.3179.20000109.9T157 E159 P163 L165 H182 F283 F343T157-V161 HydrophobicContact CG2-CG2 3.53Å; E159-V161 PolarHBondContact O-N 3.21Å; E159-V161 VanDerWaalsContact O-N 3.13Å; V161-P163 WeakPolarHBondContact O-CD 3.47Å; V161-L165 HydrophobicContact CG1-CB 4.46Å; V161-L165 HydrophobicContact CG1-CD2 3.69Å; V161-H182 HydrophobicContact CB-CB 4.11Å; V161-H182 HydrophobicContact CG2-CB 3.81Å; V161-F283 HydrophobicContact CG1-CE1 4.12Å; V161-F283 HydrophobicContact CG2-CD1 4.21Å; V161-F283 HydrophobicContact CG2-CE1 3.73Å; V161-F283 HydrophobicContact CG2-CZ 4.41Å; V161-F343 VanDerWaalsContact C-CZ 3.43Å
162N82.3Confident90.3Very high50 Ų5033.9 Ų33.927%0.26718%0.176SC..  trans-54.6119.7175.1-177.8-17.4000110.4G164 L165 F343N162-G164 PolarHBondContact O-N 3.35Å; N162-G164 VanDerWaalsContact O-N 3.14Å; N162-G164 PolarHBondContact OD1-N 2.66Å; N162-L165 VanDerWaalsContact O-CB 3.23Å; N162-L165 WeakPolarHBondContact O-CB 3.34Å; N162-L165 PolarHBondContact O-N 3.44Å; N162-L165 VanDerWaalsContact O-N 3.09Å; N162-F343 HydrophobicContact CB-CD1 4Å; N162-F343 HydrophobicContact CB-CE1 4.26Å; N162-F343 HydrophobicContact CB-CG 4.49Å
163P79.2Confident90Very high17 Ų1734.4 Ų34.411%0.1118%0.179CC..THydrogen-bonded Turntrans-57.2-25.7177.2-2633.6000115V161 L165 F337 P338 V340V161-P163 WeakPolarHBondContact O-CD 3.47Å; P163-L165 VanDerWaalsContact C-N 3.27Å; P163-L165 PolarHBondContact O-N 3.43Å; P163-F337 HydrophobicContact CB-CD1 4.38Å; P163-F337 HydrophobicContact CB-CE1 3.62Å; P163-F337 HydrophobicContact CB-CZ 4.03Å; P163-F337 HydrophobicContact CG-CD1 4.4Å; P163-F337 HydrophobicContact CG-CE1 4.01Å; P163-F337 HydrophobicContact CG-CZ 4.37Å; P163-P338 HydrophobicContact CG-CG 4.12Å; P163-P338 VanDerWaalsContact CG-O 3.23Å; P163-P338 WeakPolarHBondContact CG-O 3.38Å; P163-V340 HydrophobicContact CB-CG2 4.43Å
164G80.7Confident89.5Confident28 Ų2842.8 Ų42.829%0.28922%0.218SC..THydrogen-bonded Turntrans-78.6-8.9-179.500000114N162 K166 K573N162-G164 PolarHBondContact O-N 3.35Å; N162-G164 VanDerWaalsContact O-N 3.14Å; N162-G164 PolarHBondContact OD1-N 2.66Å; G164-K166 PolarHBondContact O-N 2.7Å; G164-K573 PolarHBondContact O-NZ 3.47Å
165L84.7Confident88.9Confident34 Ų3443.4 Ų43.418%0.17822%0.224CC..  trans-61.4128.4-173.5-169.558.2000111.5V161 N162 P163 V168 F282 I350V161-L165 HydrophobicContact CG1-CB 4.46Å; V161-L165 HydrophobicContact CG1-CD2 3.69Å; N162-L165 VanDerWaalsContact O-CB 3.23Å; N162-L165 WeakPolarHBondContact O-CB 3.34Å; N162-L165 PolarHBondContact O-N 3.44Å; N162-L165 VanDerWaalsContact O-N 3.09Å; P163-L165 VanDerWaalsContact C-N 3.27Å; P163-L165 PolarHBondContact O-N 3.43Å; L165-V168 HydrophobicContact CB-CG2 4.36Å; L165-V168 HydrophobicContact CD2-CG2 3.73Å; L165-V168 HydrophobicContact CG-CG2 3.89Å; L165-F282 HydrophobicContact CD2-CE1 3.85Å; L165-F282 HydrophobicContact CD2-CZ 4.04Å; L165-I350 HydrophobicContact CD1-CB 4.41Å; L165-I350 HydrophobicContact CD1-CD1 3.62Å; L165-I350 HydrophobicContact CD1-CG2 4.13Å; L165-I350 HydrophobicContact CD2-CD1 3.35Å; L165-I350 HydrophobicContact CD2-CG2 4.48Å; L165-I350 HydrophobicContact CG-CD1 4.12Å
166K85.9Confident88.1Confident156 Ų15647.1 Ų47.168%0.67825%0.249SC*.THydrogen-bonded Turntrans-69.6144.4-175-160.4-170.6168.9-177.50110.7G164 V168G164-K166 PolarHBondContact O-N 2.7Å; K166-V168 PolarHBondContact O-N 2.95Å; K166-V168 VanDerWaalsContact O-N 3.15Å
167D88.5Confident87.5Confident90 Ų9053.8 Ų53.848%0.48128%0.28SS..THydrogen-bonded Turntrans58.725.1173.3-50-40.5000114.7R184D167-R184 WeakPolarHBondContact O-CD 3.45Å; D167-R184 PolarHBondContact O-NH1 3.07Å
168V93.1Very high87.2Confident14 Ų1454.3 Ų54.39%0.08528%0.283CS..EExtended strand (participates in β ladder)trans-108.3131.9170.7176.20000109.7L165 K166 H170 H182 M183 R184 F282 F283L165-V168 HydrophobicContact CB-CG2 4.36Å; L165-V168 HydrophobicContact CD2-CG2 3.73Å; L165-V168 HydrophobicContact CG-CG2 3.89Å; K166-V168 PolarHBondContact O-N 2.95Å; K166-V168 VanDerWaalsContact O-N 3.15Å; V168-H170 PolarHBondContact O-CD2 3.42Å; V168-H182 HydrophobicContact CG1-CB 4.23Å; V168-M183 WeakPolarHBondContact CA-O 3.49Å; V168-R184 HydrophobicContact CG2-CB 4.28Å; V168-F282 HydrophobicContact CG2-CE1 4.07Å; V168-F283 HydrophobicContact CG1-CZ 4.39Å
169H94.2Very high87.1Confident41 Ų4154 Ų5419%0.1928%0.283CS..EExtended strand (participates in β ladder)trans-95.9134.8176.8-63.2-90.4000110.1H182 M183 I219H169-H182 WeakPolarHBondContact O-CA 3.33Å; H169-M183 HydrophobicContact CB-CE 4.01Å; H169-M183 PolarHBondContact N-O 2.87Å; H169-M183 PolarHBondContact O-N 2.97Å; H169-I219 HydrophobicContact CB-CD1 4.2Å
170H93.6Very high87.3Confident8 Ų849.9 Ų49.94%0.03726%0.263CS..EExtended strand (participates in β ladder)trans-116.8124.1-178.3-57.8-101.7000109.5V168 W180 Y181 H182 F337 I571V168-H170 PolarHBondContact O-CD2 3.42Å; H170-W180 HydrophobicContact CB-CE3 4.05Å; H170-W180 HydrophobicContact CB-CZ3 3.9Å; H170-Y181 WeakPolarHBondContact CA-O 3.23Å; H170-H182 AromaticContact CE1-CE1 3.95Å; H170-H182 AromaticContact CE1-ND1 3.28Å; H170-H182 PolarHBondContact CE1-ND1 2.78Å; H170-H182 VanDerWaalsContact CE1-ND1 3.28Å; H170-H182 AromaticContact CG-ND1 3.92Å; H170-H182 AromaticContact ND1-CE1 3.34Å; H170-H182 PolarHBondContact ND1-CE1 2.88Å; H170-H182 VanDerWaalsContact ND1-CE1 3.34Å; H170-H182 AromaticContact ND1-ND1 2.8Å; H170-H182 PolarHBondContact ND1-ND1 3.29Å; H170-F337 HydrophobicContact CB-CE2 3.69Å; H170-F337 HydrophobicContact CB-CZ 3.64Å; H170-F337 AromaticContact CE1-CZ 3.97Å; H170-F337 AromaticContact CG-CE2 3.8Å; H170-F337 AromaticContact CG-CZ 3.47Å; H170-F337 VanDerWaalsContact CG-CZ 3.47Å; H170-F337 AromaticContact ND1-CE2 3.47Å; H170-F337 WeakPolarHBondContact ND1-CE2 3.11Å; H170-F337 AromaticContact ND1-CZ 3.31Å; H170-F337 VanDerWaalsContact ND1-CZ 3.31Å; H170-F337 WeakPolarHBondContact ND1-CZ 3.48Å; H170-I571 PolarHBondContact O-N 3.22Å
171F93.7Very high87.8Confident0 Ų047.5 Ų47.50%025%0.248CC..EExtended strand (participates in β ladder)trans-148.6157.4179.158.6-92.1000113.5L173 Y181 M183 Y212 T215 V216 I219 T569 V570F171-L173 HydrophobicContact CD2-CD2 3.72Å; F171-L173 HydrophobicContact CD2-CG 4.16Å; F171-L173 HydrophobicContact CE2-CD2 3.7Å; F171-L173 HydrophobicContact CE2-CG 4.13Å; F171-Y181 HydrophobicContact CD2-CG 4.4Å; F171-Y181 VanDerWaalsContact CE2-CB 3.45Å; F171-Y181 HydrophobicContact CE2-CD2 4.31Å; F171-Y181 AromaticContact CE2-CG 3.88Å; F171-Y181 HydrophobicContact CE2-CG 3.88Å; F171-Y181 HydrophobicContact CZ-CG 4.4Å; F171-Y181 PolarHBondContact N-O 3.09Å; F171-Y181 PolarHBondContact O-N 2.89Å; F171-M183 HydrophobicContact CE1-CB 3.76Å; F171-M183 HydrophobicContact CE1-CE 4.4Å; F171-M183 HydrophobicContact CE1-SD 4.29Å; F171-M183 HydrophobicContact CZ-CB 4.42Å; F171-Y212 HydrophobicContact CE2-CD2 4.28Å; F171-Y212 HydrophobicContact CE2-CE2 4.41Å; F171-Y212 HydrophobicContact CZ-CD2 4.39Å; F171-Y212 HydrophobicContact CZ-CE2 4.09Å; F171-T215 HydrophobicContact CB-CG2 4.43Å; F171-T215 HydrophobicContact CD1-CG2 4.45Å; F171-T215 HydrophobicContact CD2-CG2 3.71Å; F171-T215 HydrophobicContact CE2-CG2 4.01Å; F171-T215 HydrophobicContact CG-CG2 3.96Å; F171-T215 HydrophobicContact CZ-CG2 4.49Å; F171-V216 HydrophobicContact CZ-CG2 4.43Å; F171-I219 HydrophobicContact CD1-CD1 4.03Å; F171-I219 HydrophobicContact CE1-CD1 4.17Å; F171-T569 WeakPolarHBondContact CA-O 3.43Å; F171-V570 HydrophobicContact CB-CG2 4.19Å
172Q92.9Very high88.3Confident7 Ų747.3 Ų47.33%0.03325%0.246CC..EExtended strand (participates in β ladder)trans-117.5135.7172.3-75.7176.6-56.300109.2P176 S178 W180 P568Q172-P176 VanDerWaalsContact NE2-C 3.27Å; Q172-P176 PolarHBondContact NE2-O 3.35Å; Q172-P176 PolarHBondContact OE1-O 3.15Å; Q172-S178 WeakPolarHBondContact CB-OG 3.48Å; Q172-S178 PolarHBondContact NE2-O 2.98Å; Q172-W180 HydrophobicContact CG-CD2 3.59Å; Q172-W180 HydrophobicContact CG-CE3 3.89Å; Q172-W180 HydrophobicContact CG-CG 4.05Å; Q172-W180 HydrophobicContact CG-CH2 4.24Å; Q172-W180 HydrophobicContact CG-CZ2 3.95Å; Q172-W180 HydrophobicContact CG-CZ3 4.21Å; Q172-P568 VanDerWaalsContact O-CB 3.3Å; Q172-P568 WeakPolarHBondContact O-CB 3.48Å
173L91.5Very high88.9Confident12 Ų1245 Ų456%0.06323%0.233CC..SBendtrans-92.7-38.7-175.2-63.2176.9000112.7F171 S178 Y181 I211 Y212 T215F171-L173 HydrophobicContact CD2-CD2 3.72Å; F171-L173 HydrophobicContact CD2-CG 4.16Å; F171-L173 HydrophobicContact CE2-CD2 3.7Å; F171-L173 HydrophobicContact CE2-CG 4.13Å; L173-S178 PolarHBondContact N-OG 2.77Å; L173-Y181 HydrophobicContact CB-CE2 4.37Å; L173-Y181 HydrophobicContact CD1-CD2 4.01Å; L173-Y181 HydrophobicContact CD1-CE1 4.19Å; L173-Y181 HydrophobicContact CD1-CE2 3.53Å; L173-Y181 HydrophobicContact CG-CD2 3.97Å; L173-Y181 HydrophobicContact CG-CE2 3.82Å; L173-I211 HydrophobicContact CB-CG2 4.27Å; L173-I211 HydrophobicContact CD1-CG2 4.34Å; L173-I211 HydrophobicContact CD2-CG1 4.45Å; L173-I211 WeakPolarHBondContact O-CD1 3.49Å; L173-Y212 HydrophobicContact CD1-CD2 4.08Å; L173-T215 HydrophobicContact CD2-CG2 4.14Å; L173-T215 WeakPolarHBondContact CD2-OG1 3.48Å
174E88.7Confident89.7Confident176 Ų17645.4 Ų45.482%0.82223%0.233SC*.SBendtrans-106.127.3-173.3-57.6178.5164.700112S178E174-S178 PolarHBondContact N-OG 2.78Å
175G83.5Confident90.5Very high13 Ų1345 Ų4513%0.13422%0.223CC..  trans92-176179.400000114.8Q177 S178G175-Q177 PolarHBondContact O-N 2.79Å; G175-S178 WeakPolarHBondContact O-CB 3.5Å; G175-S178 PolarHBondContact O-N 2.93Å; G175-S178 PolarHBondContact O-OG 3.06Å
176P81.6Confident91.1Very high80 Ų8043.4 Ų43.452%0.51922%0.215SC..THydrogen-bonded Turntrans-63.5-14.5-165-26.335.6000116.4Q172Q172-P176 VanDerWaalsContact NE2-C 3.27Å; Q172-P176 PolarHBondContact NE2-O 3.35Å; Q172-P176 PolarHBondContact OE1-O 3.15Å
177Q82.4Confident91.6Very high140 Ų14036.9 Ų36.965%0.65419%0.189SC*.THydrogen-bonded Turntrans-105.36178.2-59.6-63.4-40.200111.7G175 H335G175-Q177 PolarHBondContact O-N 2.79Å; Q177-H335 PolarHBondContact O-CE1 3.13Å; Q177-H335 PolarHBondContact O-ND1 3.25Å
178S87.3Confident92Very high12 Ų1236.8 Ų36.88%0.08419%0.186CC..SBendtrans-78.9168.117786.50000111.4Q172 L173 E174 G175Q172-S178 WeakPolarHBondContact CB-OG 3.48Å; Q172-S178 PolarHBondContact NE2-O 2.98Å; L173-S178 PolarHBondContact N-OG 2.77Å; E174-S178 PolarHBondContact N-OG 2.78Å; G175-S178 WeakPolarHBondContact O-CB 3.5Å; G175-S178 PolarHBondContact O-N 2.93Å; G175-S178 PolarHBondContact O-OG 3.06Å
179V89.7Confident92.2Very high37 Ų3736.2 Ų36.222%0.22418%0.182CC..PPolyproline II helixtrans-58.5141.2170.1-174.70000109.4N158 K333N158-V179 HydrophobicContact CB-CG1 4.02Å; V179-K333 HydrophobicContact CB-CD 4.38Å; V179-K333 HydrophobicContact CG1-CD 3.88Å; V179-K333 HydrophobicContact CG2-CB 4.39Å; V179-K333 HydrophobicContact CG2-CD 3.51Å
180W91.1Very high92.3Very high20 Ų2036.7 Ų36.78%0.07619%0.185CC..EExtended strand (participates in β ladder)trans-76.7139.1171.1-79.394.4000111.1H170 Q172 F337 I571H170-W180 HydrophobicContact CB-CE3 4.05Å; H170-W180 HydrophobicContact CB-CZ3 3.9Å; Q172-W180 HydrophobicContact CG-CD2 3.59Å; Q172-W180 HydrophobicContact CG-CE3 3.89Å; Q172-W180 HydrophobicContact CG-CG 4.05Å; Q172-W180 HydrophobicContact CG-CH2 4.24Å; Q172-W180 HydrophobicContact CG-CZ2 3.95Å; Q172-W180 HydrophobicContact CG-CZ3 4.21Å; W180-F337 AromaticContact CD2-CD2 3.33Å; W180-F337 HydrophobicContact CD2-CD2 3.33Å; W180-F337 AromaticContact CD2-CE2 3.75Å; W180-F337 HydrophobicContact CD2-CE2 3.75Å; W180-F337 HydrophobicContact CD2-CG 4.4Å; W180-F337 AromaticContact CE2-CD2 3.27Å; W180-F337 AromaticContact CE2-CG 3.93Å; W180-F337 AromaticContact CE3-CD2 3.62Å; W180-F337 HydrophobicContact CE3-CD2 3.62Å; W180-F337 AromaticContact CE3-CE2 3.57Å; W180-F337 HydrophobicContact CE3-CE2 3.57Å; W180-F337 AromaticContact CG-CD2 3.88Å; W180-F337 HydrophobicContact CG-CD2 3.88Å; W180-F337 HydrophobicContact CG-CE2 4.37Å; W180-F337 AromaticContact CH2-CD2 3.8Å; W180-F337 HydrophobicContact CH2-CD2 3.8Å; W180-F337 HydrophobicContact CH2-CE2 4.15Å; W180-F337 HydrophobicContact CH2-CG 4.23Å; W180-F337 HydrophobicContact CZ2-CB 3.72Å; W180-F337 AromaticContact CZ2-CD2 3.54Å; W180-F337 HydrophobicContact CZ2-CD2 3.54Å; W180-F337 HydrophobicContact CZ2-CE2 4.32Å; W180-F337 AromaticContact CZ2-CG 3.86Å; W180-F337 HydrophobicContact CZ2-CG 3.86Å; W180-F337 AromaticContact CZ3-CD2 3.84Å; W180-F337 HydrophobicContact CZ3-CD2 3.84Å; W180-F337 AromaticContact CZ3-CE2 3.78Å; W180-F337 HydrophobicContact CZ3-CE2 3.78Å; W180-F337 AromaticContact NE1-CD2 3.76Å; W180-I571 HydrophobicContact CH2-CD1 4.03Å
181Y94.6Very high92.5Very high51 Ų5140 Ų4020%0.221%0.207CC..EExtended strand (participates in β ladder)trans-109.3131.9169.4-68.4-101.3000108.3T156 N158 H170 F171 L173 Y212 I289T156-Y181 HydrophobicContact CG2-CD1 3.86Å; T156-Y181 HydrophobicContact CG2-CG 4.46Å; N158-Y181 WeakPolarHBondContact ND2-CE1 3.43Å; H170-Y181 WeakPolarHBondContact CA-O 3.23Å; F171-Y181 HydrophobicContact CD2-CG 4.4Å; F171-Y181 VanDerWaalsContact CE2-CB 3.45Å; F171-Y181 HydrophobicContact CE2-CD2 4.31Å; F171-Y181 AromaticContact CE2-CG 3.88Å; F171-Y181 HydrophobicContact CE2-CG 3.88Å; F171-Y181 HydrophobicContact CZ-CG 4.4Å; F171-Y181 PolarHBondContact N-O 3.09Å; F171-Y181 PolarHBondContact O-N 2.89Å; L173-Y181 HydrophobicContact CB-CE2 4.37Å; L173-Y181 HydrophobicContact CD1-CD2 4.01Å; L173-Y181 HydrophobicContact CD1-CE1 4.19Å; L173-Y181 HydrophobicContact CD1-CE2 3.53Å; L173-Y181 HydrophobicContact CG-CD2 3.97Å; L173-Y181 HydrophobicContact CG-CE2 3.82Å; Y181-Y212 HydrophobicContact CD1-CE2 4.39Å; Y181-I289 HydrophobicContact CD1-CD1 3.93Å; Y181-I289 HydrophobicContact CE1-CD1 3.93Å
182H95.1Very high92.7Very high8 Ų840 Ų404%0.03721%0.207CC..EExtended strand (participates in β ladder)trans-115.5108.9179.6-56.9-79.9000107.9T156 T157 E159 V161 V168 H169 H170 F283T156-H182 CarbonylContact C-O 3.57Å; T156-H182 VanDerWaalsContact CA-O 3.29Å; T156-H182 WeakPolarHBondContact CA-O 3.41Å; T157-H182 HydrophobicContact CG2-CB 3.86Å; T157-H182 PolarHBondContact N-O 3.15Å; T157-H182 PolarHBondContact O-N 3.38Å; E159-H182 PolarHBondContact O-CD2 2.97Å; E159-H182 PolarHBondContact O-NE2 3.24Å; V161-H182 HydrophobicContact CB-CB 4.11Å; V161-H182 HydrophobicContact CG2-CB 3.81Å; V168-H182 HydrophobicContact CG1-CB 4.23Å; H169-H182 WeakPolarHBondContact O-CA 3.33Å; H170-H182 AromaticContact CE1-CE1 3.95Å; H170-H182 AromaticContact CE1-ND1 3.28Å; H170-H182 PolarHBondContact CE1-ND1 2.78Å; H170-H182 VanDerWaalsContact CE1-ND1 3.28Å; H170-H182 AromaticContact CG-ND1 3.92Å; H170-H182 AromaticContact ND1-CE1 3.34Å; H170-H182 PolarHBondContact ND1-CE1 2.88Å; H170-H182 VanDerWaalsContact ND1-CE1 3.34Å; H170-H182 AromaticContact ND1-ND1 2.8Å; H170-H182 PolarHBondContact ND1-ND1 3.29Å; H182-F283 HydrophobicContact CB-CZ 4.22Å; H182-F283 VanDerWaalsContact O-CE2 3.27Å; H182-F283 WeakPolarHBondContact O-CE2 3.5Å
183M95.8Very high93Very high0 Ų039.8 Ų39.80%021%0.205CC..EExtended strand (participates in β ladder)trans-115.1123.5-173.1-179.6-173.371.100110.7I154 H155 T156 V168 H169 F171 L185 V216 I219I154-M183 HydrophobicContact CB-CG 3.98Å; I154-M183 HydrophobicContact CB-SD 4.13Å; I154-M183 HydrophobicContact CD1-CG 3.96Å; I154-M183 HydrophobicContact CD1-SD 3.48Å; I154-M183 WeakPolarHBondContact CD1-SD 3.34Å; I154-M183 HydrophobicContact CG1-SD 4.42Å; I154-M183 HydrophobicContact CG2-CG 4.29Å; I154-M183 HydrophobicContact CG2-SD 3.95Å; H155-M183 WeakPolarHBondContact O-CA 3.34Å; T156-M183 HydrophobicContact CG2-CB 4.34Å; T156-M183 WeakPolarHBondContact OG1-CG 3.38Å; V168-M183 WeakPolarHBondContact CA-O 3.49Å; H169-M183 HydrophobicContact CB-CE 4.01Å; H169-M183 PolarHBondContact N-O 2.87Å; H169-M183 PolarHBondContact O-N 2.97Å; F171-M183 HydrophobicContact CE1-CB 3.76Å; F171-M183 HydrophobicContact CE1-CE 4.4Å; F171-M183 HydrophobicContact CE1-SD 4.29Å; F171-M183 HydrophobicContact CZ-CB 4.42Å; M183-L185 HydrophobicContact CE-CD2 3.81Å; M183-L185 HydrophobicContact SD-CD2 4.45Å; M183-V216 HydrophobicContact SD-CB 4.36Å; M183-V216 HydrophobicContact SD-CG1 3.96Å; M183-V216 HydrophobicContact SD-CG2 3.79Å; M183-I219 HydrophobicContact CE-CB 4.04Å; M183-I219 HydrophobicContact CE-CD1 3.54Å; M183-I219 HydrophobicContact CE-CG1 4.39Å; M183-I219 HydrophobicContact CE-CG2 3.68Å
184R95.4Very high93.3Very high26 Ų2646.7 Ų46.710%0.09823%0.231CC..EExtended strand (participates in β ladder)trans-98.9130169.6-177.673.9-17592.819.2109.1I154 H155 D167 V168 Y280 F282 F283 D353I154-R184 CarbonylContact C-O 3.58Å; I154-R184 VanDerWaalsContact CA-O 3.3Å; I154-R184 WeakPolarHBondContact CA-O 3.49Å; H155-R184 PolarHBondContact N-O 3.24Å; H155-R184 PolarHBondContact O-N 3Å; D167-R184 WeakPolarHBondContact O-CD 3.45Å; D167-R184 PolarHBondContact O-NH1 3.07Å; V168-R184 HydrophobicContact CG2-CB 4.28Å; R184-Y280 HydrophobicContact CG-CE1 4.22Å; R184-Y280 WeakPolarHBondContact CG-OH 3.14Å; R184-F282 HydrophobicContact CB-CB 4.16Å; R184-F282 HydrophobicContact CB-CD1 3.65Å; R184-F282 HydrophobicContact CB-CE1 4.16Å; R184-F282 HydrophobicContact CB-CG 3.94Å; R184-F282 HydrophobicContact CG-CB 3.99Å; R184-F282 HydrophobicContact CG-CD1 3.69Å; R184-F282 HydrophobicContact CG-CD2 3.89Å; R184-F282 HydrophobicContact CG-CE1 4.04Å; R184-F282 HydrophobicContact CG-CE2 4.24Å; R184-F282 HydrophobicContact CG-CG 3.59Å; R184-F282 HydrophobicContact CG-CZ 4.29Å; R184-F283 HydrophobicContact CB-CE2 4.16Å; R184-F283 HydrophobicContact CB-CZ 4.27Å; R184-D353 IonicContact CZ-OD2 2.66Å; R184-D353 IonicContact NE-OD2 3.68Å; R184-D353 PolarHBondContact NE-OD2 3.5Å; R184-D353 IonicContact NH2-OD2 2.92Å; R184-D353 PolarHBondContact NH2-OD2 3.02Å
185L96.6Very high93.8Very high19 Ų1939.7 Ų39.710%0.09920%0.201CC..EExtended strand (participates in β ladder)trans-76.6134.1168.2-58.4-173000109.4I154 M183 I190 L220 Y280I154-L185 HydrophobicContact CG2-CD2 3.49Å; I154-L185 VanDerWaalsContact CG2-CD2 3.49Å; M183-L185 HydrophobicContact CE-CD2 3.81Å; M183-L185 HydrophobicContact SD-CD2 4.45Å; L185-I190 HydrophobicContact CD1-CD1 4.07Å; L185-I190 HydrophobicContact CD1-CG1 4.24Å; L185-L220 HydrophobicContact CD1-CD2 4.38Å; L185-L220 HydrophobicContact CD2-CD2 3.57Å; L185-Y280 PolarHBondContact O-OH 2.83Å
186R97.4Very high94.5Very high1 Ų139.1 Ų39.10%0.00420%0.195CC..PPolyproline II helixtrans-54.8137.9168.1-169170.7-166.2155.716.4109.6T152 L153 H188 T189 R278 Y280 D355 Y357 L358T152-R186 VanDerWaalsContact O-CD 3.26Å; T152-R186 WeakPolarHBondContact O-CD 3.26Å; T152-R186 PolarHBondContact O-NH1 3.33Å; L153-R186 WeakPolarHBondContact O-CB 3.22Å; L153-R186 PolarHBondContact O-N 3.21Å; R186-H188 PolarHBondContact O-N 2.79Å; R186-T189 WeakPolarHBondContact O-CB 3.47Å; R186-T189 PolarHBondContact O-N 2.82Å; R186-T189 VanDerWaalsContact O-N 3.11Å; R186-T189 PolarHBondContact O-OG1 3.43Å; R186-R278 PolarHBondContact NH1-O 2.89Å; R186-R278 PolarHBondContact NH2-O 2.9Å; R186-Y280 HydrophobicContact CB-CD1 3.76Å; R186-Y280 HydrophobicContact CB-CD2 4.21Å; R186-Y280 HydrophobicContact CB-CE1 3.89Å; R186-Y280 HydrophobicContact CB-CE2 4.32Å; R186-Y280 HydrophobicContact CB-CG 3.93Å; R186-Y280 HydrophobicContact CG-CD1 4.15Å; R186-Y280 HydrophobicContact CG-CD2 3.7Å; R186-Y280 HydrophobicContact CG-CE1 4.42Å; R186-Y280 HydrophobicContact CG-CE2 4Å; R186-Y280 HydrophobicContact CG-CG 3.78Å; R186-D355 IonicContact CZ-OD1 3.83Å; R186-D355 IonicContact CZ-OD2 3.76Å; R186-D355 IonicContact NE-OD1 2.76Å; R186-D355 PolarHBondContact NE-OD1 3.18Å; R186-D355 IonicContact NE-OD2 3.37Å; R186-D355 IonicContact NH2-OD1 3.15Å; R186-D355 PolarHBondContact NH2-OD1 3.16Å; R186-D355 IonicContact NH2-OD2 3.78Å; R186-D355 PolarHBondContact NH2-OD2 3.36Å; R186-D355 VanDerWaalsContact NH2-OD2 3.15Å; R186-Y357 VanDerWaalsContact NH2-CB 3.26Å; R186-Y357 VanDerWaalsContact NH2-CD1 3.29Å; R186-L358 HydrophobicContact CB-CD1 4.1Å; R186-L358 HydrophobicContact CG-CD1 4.05Å; R186-L358 HydrophobicContact CG-CG 4.03Å
187P96.1Very high95.3Very high20 Ų2036.7 Ų36.713%0.1318%0.18CC..THydrogen-bonded Turntrans-54.1141179.8-25.634.2000111.2T189 D353 D355 L358P187-T189 VanDerWaalsContact C-N 3.3Å; P187-T189 PolarHBondContact O-N 3.31Å; P187-D353 WeakPolarHBondContact CD-OD2 3.48Å; P187-D353 HydrophobicContact CG-CB 4.43Å; P187-D353 VanDerWaalsContact CG-CG 3.5Å; P187-D353 VanDerWaalsContact CG-OD2 3.3Å; P187-D353 WeakPolarHBondContact CG-OD2 3.45Å; P187-D355 WeakPolarHBondContact CB-O 3.46Å; P187-D355 HydrophobicContact CG-CB 4.14Å; P187-D355 VanDerWaalsContact CG-O 3.24Å; P187-D355 WeakPolarHBondContact CG-O 3.33Å; P187-L358 WeakPolarHBondContact O-CD1 3.17Å
188H96.7Very high96Very high88 Ų8839.3 Ų39.341%0.40718%0.184SC..THydrogen-bonded Turntrans69.65.8-176-48.8-74.5000117.1R186 I190 T191 F192 L358 L359R186-H188 PolarHBondContact O-N 2.79Å; H188-I190 PolarHBondContact O-N 3.32Å; H188-T191 PolarHBondContact O-N 2.81Å; H188-T191 PolarHBondContact O-OG1 2.94Å; H188-F192 VanDerWaalsContact O-CB 3.24Å; H188-F192 WeakPolarHBondContact O-CB 3.27Å; H188-F192 PolarHBondContact O-N 3.28Å; H188-L358 HydrophobicContact CB-CB 4.46Å; H188-L359 HydrophobicContact CB-CD2 4.2Å
189T98Very high96.6Very high2 Ų240.9 Ų40.91%0.01219%0.191CC..Hα-helixtrans-51.7-48.1-179-71.70000113.7L153 R186 P187 T191 F192 L193 L220 L358L153-T189 HydrophobicContact CB-CG2 4.2Å; L153-T189 HydrophobicContact CD1-CG2 4.34Å; L153-T189 PolarHBondContact O-OG1 2.75Å; L153-T189 VanDerWaalsContact O-OG1 3.08Å; R186-T189 WeakPolarHBondContact O-CB 3.47Å; R186-T189 PolarHBondContact O-N 2.82Å; R186-T189 VanDerWaalsContact O-N 3.11Å; R186-T189 PolarHBondContact O-OG1 3.43Å; P187-T189 VanDerWaalsContact C-N 3.3Å; P187-T189 PolarHBondContact O-N 3.31Å; T189-T191 PolarHBondContact O-N 2.85Å; T189-F192 PolarHBondContact O-N 2.9Å; T189-L193 HydrophobicContact CG2-CD1 3.88Å; T189-L193 HydrophobicContact CG2-CG 4.31Å; T189-L193 WeakPolarHBondContact O-CB 3.43Å; T189-L193 VanDerWaalsContact O-CG 3.29Å; T189-L193 WeakPolarHBondContact O-CG 3.5Å; T189-L193 PolarHBondContact O-N 2.76Å; T189-L220 HydrophobicContact CG2-CD2 3.61Å; T189-L358 VanDerWaalsContact OG1-CD1 3.3Å; T189-L358 WeakPolarHBondContact OG1-CD1 3.44Å
190I96.7Very high97Very high50 Ų5039.1 Ų39.126%0.25618%0.18SC..Hα-helixtrans-65.8-42.3-177.1-56.5-58.4000111.7L185 H188 R194 L220L185-I190 HydrophobicContact CD1-CD1 4.07Å; L185-I190 HydrophobicContact CD1-CG1 4.24Å; H188-I190 PolarHBondContact O-N 3.32Å; I190-R194 WeakPolarHBondContact O-CG 3.37Å; I190-R194 PolarHBondContact O-N 3.09Å; I190-R194 VanDerWaalsContact O-N 3.17Å; I190-L220 HydrophobicContact CD1-CD2 4.41Å
191T97.4Very high97.3Very high79 Ų7941 Ų4149%0.48519%0.19SC..Hα-helixtrans-68.2-40.6177.242.20000111.7H188 T189 R194 S195H188-T191 PolarHBondContact O-N 2.81Å; H188-T191 PolarHBondContact O-OG1 2.94Å; T189-T191 PolarHBondContact O-N 2.85Å; T191-R194 PolarHBondContact O-N 2.9Å; T191-S195 WeakPolarHBondContact O-CB 3.33Å; T191-S195 PolarHBondContact O-N 3.32Å
192F98.5Very high97.5Very high0 Ų038.7 Ų38.70%018%0.181CC..Hα-helixtrans-58.1-52.3175.1169.4-95.6000111L153 H188 T189 R194 S195 M196 I261 L358 L361 E362 L365L153-F192 HydrophobicContact CD2-CD1 4.11Å; L153-F192 HydrophobicContact CD2-CE1 4.01Å; H188-F192 VanDerWaalsContact O-CB 3.24Å; H188-F192 WeakPolarHBondContact O-CB 3.27Å; H188-F192 PolarHBondContact O-N 3.28Å; T189-F192 PolarHBondContact O-N 2.9Å; F192-R194 PolarHBondContact O-N 3.33Å; F192-S195 PolarHBondContact O-N 3.15Å; F192-S195 VanDerWaalsContact O-N 3.15Å; F192-M196 HydrophobicContact CD1-CG 4.45Å; F192-M196 HydrophobicContact CD2-CG 4.06Å; F192-M196 HydrophobicContact CE1-CG 4.13Å; F192-M196 HydrophobicContact CE2-CG 3.7Å; F192-M196 HydrophobicContact CE2-SD 4.34Å; F192-M196 HydrophobicContact CG-CG 4.42Å; F192-M196 HydrophobicContact CZ-CG 3.73Å; F192-M196 WeakPolarHBondContact O-CB 3.38Å; F192-M196 WeakPolarHBondContact O-CG 3.43Å; F192-M196 PolarHBondContact O-N 3.45Å; F192-I261 HydrophobicContact CE1-CD1 4.14Å; F192-I261 HydrophobicContact CZ-CD1 4.02Å; F192-L358 HydrophobicContact CB-CB 4.37Å; F192-L358 HydrophobicContact CB-CD1 4.27Å; F192-L358 HydrophobicContact CD2-CB 4.26Å; F192-L358 HydrophobicContact CG-CB 4.37Å; F192-L358 HydrophobicContact CG-CD1 4.34Å; F192-L361 HydrophobicContact CE2-CB 4.24Å; F192-L361 HydrophobicContact CE2-CD2 4.01Å; F192-L361 HydrophobicContact CE2-CG 3.98Å; F192-L361 HydrophobicContact CZ-CD2 3.82Å; F192-L361 HydrophobicContact CZ-CG 4.16Å; F192-E362 HydrophobicContact CD2-CB 3.99Å; F192-E362 HydrophobicContact CE2-CB 4.27Å; F192-L365 HydrophobicContact CE2-CD1 3.96Å; F192-L365 HydrophobicContact CZ-CD1 3.71Å
193L98.7Very high97.5Very high1 Ų139 Ų391%0.00518%0.183CC..Hα-helixtrans-60.7-42.2-179.5-71.8176.3000112.4L153 T189 S197 L202 L220 I226 F227L153-L193 HydrophobicContact CD1-CD1 4.32Å; L153-L193 HydrophobicContact CD1-CD2 3.81Å; L153-L193 HydrophobicContact CD1-CG 4.32Å; T189-L193 HydrophobicContact CG2-CD1 3.88Å; T189-L193 HydrophobicContact CG2-CG 4.31Å; T189-L193 WeakPolarHBondContact O-CB 3.43Å; T189-L193 VanDerWaalsContact O-CG 3.29Å; T189-L193 WeakPolarHBondContact O-CG 3.5Å; T189-L193 PolarHBondContact O-N 2.76Å; L193-S197 WeakPolarHBondContact O-CB 3.44Å; L193-S197 PolarHBondContact O-N 2.92Å; L193-S197 PolarHBondContact O-OG 2.79Å; L193-L202 HydrophobicContact CD2-CD2 3.49Å; L193-L202 VanDerWaalsContact CD2-CD2 3.49Å; L193-L220 HydrophobicContact CD1-CB 4.13Å; L193-L220 HydrophobicContact CD1-CD1 4.46Å; L193-L220 HydrophobicContact CD1-CD2 4.29Å; L193-I226 HydrophobicContact CB-CD1 3.94Å; L193-I226 HydrophobicContact CB-CG2 4.46Å; L193-F227 HydrophobicContact CD1-CE2 4Å; L193-F227 HydrophobicContact CD1-CZ 4.04Å; L193-F227 HydrophobicContact CD2-CE1 4.41Å; L193-F227 HydrophobicContact CD2-CE2 4.34Å; L193-F227 HydrophobicContact CD2-CZ 3.61Å; L193-F227 HydrophobicContact CG-CZ 4.46Å
194R98.1Very high97.5Very high157 Ų15739 Ų3959%0.59218%0.183SC*.Hα-helixtrans-65.5-37.2175.4-73.9179-176.1147.72.4113I190 T191 F192 S197 I226I190-R194 WeakPolarHBondContact O-CG 3.37Å; I190-R194 PolarHBondContact O-N 3.09Å; I190-R194 VanDerWaalsContact O-N 3.17Å; T191-R194 PolarHBondContact O-N 2.9Å; F192-R194 PolarHBondContact O-N 3.33Å; R194-S197 PolarHBondContact O-OG 3.22Å; R194-S197 VanDerWaalsContact O-OG 3.09Å; R194-I226 HydrophobicContact CG-CD1 4.19Å
195S98.3Very high97.5Very high30 Ų3037.9 Ų37.921%0.2118%0.179CC..Hα-helixtrans-67.8-49.6176.4-171.70000110.3T191 F192 S197 R198 E362T191-S195 WeakPolarHBondContact O-CB 3.33Å; T191-S195 PolarHBondContact O-N 3.32Å; F192-S195 PolarHBondContact O-N 3.15Å; F192-S195 VanDerWaalsContact O-N 3.15Å; S195-S197 PolarHBondContact O-N 3.08Å; S195-R198 WeakPolarHBondContact O-CB 3.24Å; S195-R198 PolarHBondContact O-N 3.4Å; S195-E362 WeakPolarHBondContact CB-OE1 3.44Å; S195-E362 PolarHBondContact OG-OE1 3.41Å
196M98.6Very high97.5Very high0 Ų037 Ų370%017%0.174CC..Hα-helixtrans-66.4-33.1-178-66.3-54.59200112.8L145 F192 R198 L199 Y200 L202 E362 L365 K366L145-M196 HydrophobicContact CD2-CB 4.4Å; F192-M196 HydrophobicContact CD1-CG 4.45Å; F192-M196 HydrophobicContact CD2-CG 4.06Å; F192-M196 HydrophobicContact CE1-CG 4.13Å; F192-M196 HydrophobicContact CE2-CG 3.7Å; F192-M196 HydrophobicContact CE2-SD 4.34Å; F192-M196 HydrophobicContact CG-CG 4.42Å; F192-M196 HydrophobicContact CZ-CG 3.73Å; F192-M196 WeakPolarHBondContact O-CB 3.38Å; F192-M196 WeakPolarHBondContact O-CG 3.43Å; F192-M196 PolarHBondContact O-N 3.45Å; M196-R198 PolarHBondContact O-N 3.28Å; M196-L199 HydrophobicContact CE-CD1 4.47Å; M196-L199 PolarHBondContact O-N 3.32Å; M196-Y200 PolarHBondContact O-N 3.03Å; M196-Y200 HydrophobicContact SD-CD2 4.35Å; M196-Y200 HydrophobicContact SD-CE2 4.4Å; M196-L202 HydrophobicContact CB-CD1 4.46Å; M196-L202 HydrophobicContact CB-CD2 4.49Å; M196-E362 HydrophobicContact CE-CB 4.29Å; M196-E362 HydrophobicContact CE-CG 3.61Å; M196-L365 HydrophobicContact CG-CD1 4.16Å; M196-L365 HydrophobicContact SD-CB 3.7Å; M196-L365 HydrophobicContact SD-CD1 3.72Å; M196-L365 HydrophobicContact SD-CG 4.37Å; M196-K366 HydrophobicContact CE-CG 4.26Å
197S98.2Very high97.3Very high29 Ų2937.5 Ų37.520%0.20318%0.176CC..THydrogen-bonded Turntrans-63.5-15.2178.573.50000114.6K142 L193 R194 S195 Y200K142-S197 WeakPolarHBondContact CE-O 3.46Å; K142-S197 PolarHBondContact NZ-O 3.38Å; L193-S197 WeakPolarHBondContact O-CB 3.44Å; L193-S197 PolarHBondContact O-N 2.92Å; L193-S197 PolarHBondContact O-OG 2.79Å; R194-S197 PolarHBondContact O-OG 3.22Å; R194-S197 VanDerWaalsContact O-OG 3.09Å; S195-S197 PolarHBondContact O-N 3.08Å; S197-Y200 CarbonylContact C-O 3.59Å; S197-Y200 WeakPolarHBondContact CA-O 3.29Å; S197-Y200 VanDerWaalsContact O-O 3.13Å
198R98.3Very high97.2Very high195 Ų19536.5 Ų36.574%0.73617%0.17SC*.THydrogen-bonded Turntrans-78.1-29.8173.4-56.5178.777.9176.54.2112.2S195 M196S195-R198 WeakPolarHBondContact O-CB 3.24Å; S195-R198 PolarHBondContact O-N 3.4Å; M196-R198 PolarHBondContact O-N 3.28Å
199L98.6Very high97Very high45 Ų4533.3 Ų33.324%0.23616%0.158CC..THydrogen-bonded Turntrans-107.5-22.7-174.6-59.7178.1000112.8K142 L143 M196 K366 H369K142-L199 VanDerWaalsContact CA-O 3.24Å; K142-L199 WeakPolarHBondContact CA-O 3.35Å; L143-L199 PolarHBondContact N-O 3.02Å; M196-L199 HydrophobicContact CE-CD1 4.47Å; M196-L199 PolarHBondContact O-N 3.32Å; L199-K366 HydrophobicContact CD1-CG 3.76Å; L199-H369 PolarHBondContact O-CD2 2.87Å; L199-H369 VanDerWaalsContact O-CD2 3.25Å; L199-H369 PolarHBondContact O-NE2 3.2Å
200Y98.8Very high96.8Very high1 Ų137.1 Ų37.10%0.00417%0.173CC..EExtended strand (participates in β ladder)trans-129.1149.5-176.9-66.3-93.3000110.6L143 L145 M196 S197 L202 C259 L365 H369L143-Y200 HydrophobicContact CB-CD1 3.55Å; L143-Y200 HydrophobicContact CB-CE1 3.53Å; L143-Y200 HydrophobicContact CD1-CE1 3.93Å; L143-Y200 HydrophobicContact CG-CE1 4.36Å; L143-Y200 CarbonylContact O-C 3.59Å; L143-Y200 WeakPolarHBondContact O-CA 3.49Å; L145-Y200 HydrophobicContact CB-CD1 3.7Å; L145-Y200 HydrophobicContact CB-CG 3.83Å; M196-Y200 PolarHBondContact O-N 3.03Å; M196-Y200 HydrophobicContact SD-CD2 4.35Å; M196-Y200 HydrophobicContact SD-CE2 4.4Å; S197-Y200 CarbonylContact C-O 3.59Å; S197-Y200 WeakPolarHBondContact CA-O 3.29Å; S197-Y200 VanDerWaalsContact O-O 3.13Å; Y200-L202 WeakPolarHBondContact O-CD1 3.36Å; Y200-C259 HydrophobicContact CE1-CB 4.01Å; Y200-L365 HydrophobicContact CE2-CB 4.07Å; Y200-L365 PolarHBondContact OH-O 2.86Å; Y200-H369 HydrophobicContact CE2-CB 4.17Å
201E97.4Very high96.6Very high60 Ų6038.3 Ų38.328%0.2818%0.179SC..EExtended strand (participates in β ladder)trans-86.9118.5156.7-177.9164.150.200108.2L137 L143 V144 L145 R230L137-E201 HydrophobicContact CD2-CB 3.9Å; L143-E201 PolarHBondContact O-N 3.28Å; V144-E201 WeakPolarHBondContact CA-O 3.3Å; L145-E201 PolarHBondContact N-O 2.79Å; E201-R230 IonicContact OE2-CZ 2.98Å; E201-R230 IonicContact OE2-NE 3.93Å; E201-R230 IonicContact OE2-NH1 3.26Å; E201-R230 PolarHBondContact OE2-NH1 3.39Å
202L97.8Very high96.5Very high1 Ų134.7 Ų34.71%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-93.6135.1-171.7-75.775.6000111L145 V147 L193 M196 Y200 I226 F227 R230L145-L202 HydrophobicContact CB-CG 4.45Å; L145-L202 HydrophobicContact CD2-CG 4.43Å; L145-L202 WeakPolarHBondContact O-CA 3.38Å; V147-L202 HydrophobicContact CG2-CD2 4.41Å; L193-L202 HydrophobicContact CD2-CD2 3.49Å; L193-L202 VanDerWaalsContact CD2-CD2 3.49Å; M196-L202 HydrophobicContact CB-CD1 4.46Å; M196-L202 HydrophobicContact CB-CD2 4.49Å; Y200-L202 WeakPolarHBondContact O-CD1 3.36Å; L202-I226 HydrophobicContact CB-CG2 4.21Å; L202-I226 HydrophobicContact CD2-CG2 3.77Å; L202-I226 HydrophobicContact CG-CG2 4.4Å; L202-F227 HydrophobicContact CB-CD1 3.72Å; L202-F227 HydrophobicContact CB-CE1 3.63Å; L202-F227 HydrophobicContact CD2-CE1 3.99Å; L202-F227 HydrophobicContact CD2-CZ 4.29Å; L202-F227 HydrophobicContact CG-CE1 4.42Å; L202-R230 PolarHBondContact O-NE 2.95Å
203H96.1Very high96.4Very high16 Ų1634.7 Ų34.77%0.07416%0.156CC..EExtended strand (participates in β ladder)trans-125.6136.9172.4-62.9-126.9000109H114 L145 L146 V147 R230H114-H203 AromaticContact CD2-ND1 3.95Å; H114-H203 AromaticContact NE2-CE1 3.94Å; H114-H203 AromaticContact NE2-ND1 3.12Å; H114-H203 PolarHBondContact NE2-ND1 2.62Å; H114-H203 VanDerWaalsContact NE2-ND1 3.12Å; L145-H203 PolarHBondContact O-N 2.66Å; L146-H203 HydrophobicContact CD2-CB 3.6Å; V147-H203 WeakPolarHBondContact CB-O 3.39Å; V147-H203 PolarHBondContact N-O 3.28Å; H203-R230 CarbonylContact C-O 3.55Å; H203-R230 VanDerWaalsContact CA-O 3.3Å; H203-R230 WeakPolarHBondContact CA-O 3.3Å; H203-R230 HydrophobicContact CB-CB 4.15Å; H203-R230 WeakPolarHBondContact NE2-CD 3.44Å
204I96.5Very high96.3Very high0 Ų038.1 Ų38.10%017%0.172CC..EExtended strand (participates in β ladder)trans-82.3134.4168-72.3168.8000108.7V147 L149 T206 A217 F227 R230 I231 L232V147-I204 CarbonylContact O-C 3.5Å; V147-I204 WeakPolarHBondContact O-CA 3.07Å; L149-I204 HydrophobicContact CD1-CG2 3.85Å; L149-I204 HydrophobicContact CD2-CD1 4.06Å; L149-I204 HydrophobicContact CD2-CG1 4.09Å; L149-I204 HydrophobicContact CD2-CG2 4.11Å; L149-I204 HydrophobicContact CG-CG2 3.87Å; I204-T206 HydrophobicContact CG2-CG2 4Å; I204-A217 HydrophobicContact CD1-CB 3.76Å; I204-F227 HydrophobicContact CD1-CD1 4.06Å; I204-F227 HydrophobicContact CD1-CD2 3.88Å; I204-F227 HydrophobicContact CD1-CE1 4.13Å; I204-F227 HydrophobicContact CD1-CE2 3.98Å; I204-F227 HydrophobicContact CD1-CG 3.91Å; I204-F227 HydrophobicContact CD1-CZ 4.08Å; I204-F227 HydrophobicContact CG1-CD1 3.69Å; I204-F227 HydrophobicContact CG1-CD2 4.4Å; I204-F227 HydrophobicContact CG1-CE1 3.61Å; I204-F227 HydrophobicContact CG1-CE2 4.35Å; I204-F227 HydrophobicContact CG1-CG 4.08Å; I204-F227 HydrophobicContact CG1-CZ 3.95Å; I204-R230 PolarHBondContact N-O 3.44Å; I204-I231 HydrophobicContact CB-CB 4.46Å; I204-I231 HydrophobicContact CB-CG1 4.35Å; I204-I231 HydrophobicContact CB-CG2 4.17Å; I204-I231 HydrophobicContact CD1-CG1 4.3Å; I204-I231 HydrophobicContact CG2-CG2 4.04Å; I204-L232 PolarHBondContact O-N 3.08Å
205C95.1Very high96.2Very high2 Ų231.1 Ų31.11%0.01415%0.147CC..EExtended strand (participates in β ladder)trans-135.6100.5171.6-172.40000109.7V147 L232 K243 W268V147-C205 PolarHBondContact O-N 3.24Å; C205-L232 WeakPolarHBondContact CA-O 3.3Å; C205-K243 WeakPolarHBondContact O-CE 3.24Å; C205-K243 PolarHBondContact O-NZ 3.3Å; C205-W268 HydrophobicContact CB-CH2 4.43Å; C205-W268 HydrophobicContact CB-CZ2 4.31Å
206T95.4Very high96.1Very high1 Ų129.7 Ų29.71%0.00614%0.137CC..  trans-130.2153.6-171.4-1780000112.3L149 I204 G208 A213 L232 S233 R234L149-T206 HydrophobicContact CD1-CG2 3.88Å; L149-T206 HydrophobicContact CG-CG2 4.5Å; I204-T206 HydrophobicContact CG2-CG2 4Å; T206-G208 VanDerWaalsContact C-N 3.3Å; T206-G208 PolarHBondContact OG1-N 3.13Å; T206-A213 HydrophobicContact CG2-CB 3.68Å; T206-L232 PolarHBondContact N-O 3.36Å; T206-S233 CarbonylContact O-C 3.57Å; T206-S233 WeakPolarHBondContact O-CA 3.48Å; T206-R234 PolarHBondContact O-N 3.27Å
207F94.8Very high96Very high10 Ų1030 Ų304%0.04414%0.14CC..SBendtrans-874.2165.8-74.9-58.3000113.7R234 P240 K243 V267 N290 P292F207-R234 VanDerWaalsContact O-CB 3.28Å; F207-R234 WeakPolarHBondContact O-CB 3.17Å; F207-R234 WeakPolarHBondContact O-CD 3.37Å; F207-P240 VanDerWaalsContact CE1-O 3.29Å; F207-P240 WeakPolarHBondContact CE1-O 2.93Å; F207-K243 HydrophobicContact CD2-CG 4.4Å; F207-K243 HydrophobicContact CE1-CG 4.24Å; F207-K243 HydrophobicContact CE2-CD 4.21Å; F207-K243 HydrophobicContact CE2-CG 3.7Å; F207-K243 HydrophobicContact CZ-CG 3.61Å; F207-V267 HydrophobicContact CE2-CB 3.82Å; F207-V267 HydrophobicContact CE2-CG1 3.73Å; F207-V267 HydrophobicContact CE2-CG2 4.41Å; F207-V267 HydrophobicContact CZ-CB 4.45Å; F207-N290 WeakPolarHBondContact CB-O 3.35Å; F207-P292 HydrophobicContact CD1-CG 4.23Å; F207-P292 HydrophobicContact CD2-CG 3.45Å; F207-P292 VanDerWaalsContact CD2-CG 3.45Å; F207-P292 HydrophobicContact CE1-CG 4.27Å; F207-P292 HydrophobicContact CE2-CG 3.47Å; F207-P292 VanDerWaalsContact CE2-CG 3.47Å; F207-P292 HydrophobicContact CG-CG 3.85Å; F207-P292 HydrophobicContact CZ-CG 3.9Å
208G93.7Very high96Very high0 Ų036 Ų360%016%0.162CC..SBendtrans-64149.716500000111.6T206 S233 R234T206-G208 VanDerWaalsContact C-N 3.3Å; T206-G208 PolarHBondContact OG1-N 3.13Å; G208-S233 WeakPolarHBondContact O-CB 3.38Å; G208-R234 WeakPolarHBondContact O-CB 3.35Å; G208-R234 PolarHBondContact O-N 3.35Å
209A92.8Very high95.9Very high20 Ų2028 Ų2817%0.16513%0.133CC..  trans-63.5160.8173.100000111.5I211 Y212 A213A209-I211 VanDerWaalsContact C-N 3.34Å; A209-I211 PolarHBondContact O-N 2.81Å; A209-Y212 WeakPolarHBondContact O-CA 3.38Å; A209-Y212 WeakPolarHBondContact O-CB 3.32Å; A209-Y212 PolarHBondContact O-N 3.06Å; A209-A213 PolarHBondContact O-N 3.43Å
210R92.4Very high95.8Very high82 Ų8226 Ų2631%0.30912%0.123SC..Hα-helixtrans-53.4-48.9-177.5-177.2-178.2-70.2175.7-1.6112.2Y212 A213 H214 S233 D235 E236R210-Y212 VanDerWaalsContact C-N 3.27Å; R210-Y212 PolarHBondContact O-N 3.13Å; R210-A213 PolarHBondContact O-N 2.95Å; R210-H214 PolarHBondContact O-CD2 3.31Å; R210-H214 VanDerWaalsContact O-CD2 3.22Å; R210-H214 PolarHBondContact O-N 3.27Å; R210-S233 VanDerWaalsContact CA-OG 3.26Å; R210-S233 WeakPolarHBondContact CA-OG 3.24Å; R210-S233 WeakPolarHBondContact CB-OG 3.21Å; R210-S233 PolarHBondContact N-OG 3.47Å; R210-D235 HydrophobicContact CB-CB 4.26Å; R210-D235 WeakPolarHBondContact CB-OD2 3.18Å; R210-D235 PolarHBondContact N-OD2 3.24Å; R210-E236 IonicContact CZ-OE1 3.36Å; R210-E236 IonicContact NE-OE1 2.77Å; R210-E236 PolarHBondContact NE-OE1 3.32Å; R210-E236 IonicContact NH2-OE1 2.85Å; R210-E236 PolarHBondContact NH2-OE1 3.37Å
211I93.4Very high95.7Very high76 Ų7626.4 Ų26.439%0.3913%0.125SC..Hα-helixtrans-62.5-35.8-179.3-165.2163.9000112.4L173 A209 T215L173-I211 HydrophobicContact CB-CG2 4.27Å; L173-I211 HydrophobicContact CD1-CG2 4.34Å; L173-I211 HydrophobicContact CD2-CG1 4.45Å; L173-I211 WeakPolarHBondContact O-CD1 3.49Å; A209-I211 VanDerWaalsContact C-N 3.34Å; A209-I211 PolarHBondContact O-N 2.81Å; I211-T215 VanDerWaalsContact O-CB 3.3Å; I211-T215 WeakPolarHBondContact O-CB 3.47Å; I211-T215 PolarHBondContact O-N 3.4Å; I211-T215 VanDerWaalsContact O-N 3.07Å; I211-T215 PolarHBondContact O-OG1 3.09Å
212Y96Very high95.7Very high3 Ų328.5 Ų28.51%0.01214%0.144CC..Hα-helixtrans-66.5-53.8174.5175-97.4000110.7D150 I154 T156 F171 L173 Y181 A209 R210 H214 T215 V216 N290D150-Y212 PolarHBondContact OD1-OH 3.21Å; D150-Y212 WeakPolarHBondContact OD2-CE1 3.35Å; D150-Y212 PolarHBondContact OD2-OH 3.42Å; I154-Y212 WeakPolarHBondContact CD1-OH 3.3Å; T156-Y212 WeakPolarHBondContact CB-OH 3.27Å; T156-Y212 HydrophobicContact CG2-CE2 4.21Å; T156-Y212 PolarHBondContact OG1-OH 3.49Å; F171-Y212 HydrophobicContact CE2-CD2 4.28Å; F171-Y212 HydrophobicContact CE2-CE2 4.41Å; F171-Y212 HydrophobicContact CZ-CD2 4.39Å; F171-Y212 HydrophobicContact CZ-CE2 4.09Å; L173-Y212 HydrophobicContact CD1-CD2 4.08Å; Y181-Y212 HydrophobicContact CD1-CE2 4.39Å; A209-Y212 WeakPolarHBondContact O-CA 3.38Å; A209-Y212 WeakPolarHBondContact O-CB 3.32Å; A209-Y212 PolarHBondContact O-N 3.06Å; R210-Y212 VanDerWaalsContact C-N 3.27Å; R210-Y212 PolarHBondContact O-N 3.13Å; Y212-H214 VanDerWaalsContact C-N 3.32Å; Y212-H214 PolarHBondContact O-N 3.32Å; Y212-T215 PolarHBondContact O-N 3.15Å; Y212-V216 HydrophobicContact CD1-CG2 4.24Å; Y212-V216 HydrophobicContact CD2-CG2 4.27Å; Y212-V216 HydrophobicContact CE1-CG2 3.89Å; Y212-V216 HydrophobicContact CE2-CG2 3.89Å; Y212-V216 HydrophobicContact CG-CG2 4.45Å; Y212-V216 WeakPolarHBondContact O-CG2 3.36Å; Y212-V216 PolarHBondContact O-N 3.06Å; Y212-N290 WeakPolarHBondContact CE1-ND2 3.39Å
213A96.3Very high95.6Very high0 Ų034.5 Ų34.50%018%0.176CC..Hα-helixtrans-57.2-44.3-17800000112T206 A209 R210 A217 I231T206-A213 HydrophobicContact CG2-CB 3.68Å; A209-A213 PolarHBondContact O-N 3.43Å; R210-A213 PolarHBondContact O-N 2.95Å; A213-A217 VanDerWaalsContact O-CB 3.22Å; A213-A217 WeakPolarHBondContact O-CB 3.43Å; A213-A217 PolarHBondContact O-N 3.48Å; A213-I231 HydrophobicContact CB-CG2 3.84Å
214H94.9Very high95.6Very high73 Ų7335.3 Ų35.334%0.33819%0.189SC..Hα-helixtrans-68.4-35.8176.3-80.5-79.1000113.3R210 Y212 K218R210-H214 PolarHBondContact O-CD2 3.31Å; R210-H214 VanDerWaalsContact O-CD2 3.22Å; R210-H214 PolarHBondContact O-N 3.27Å; Y212-H214 VanDerWaalsContact C-N 3.32Å; Y212-H214 PolarHBondContact O-N 3.32Å; H214-K218 WeakPolarHBondContact O-CB 3.32Å; H214-K218 PolarHBondContact O-N 2.75Å
215T96.2Very high95.5Very high10 Ų1039.2 Ų39.26%0.06122%0.217CC..Hα-helixtrans-65.3-47.2176.1-60.70000110.6F171 L173 I211 Y212 K218 I219F171-T215 HydrophobicContact CB-CG2 4.43Å; F171-T215 HydrophobicContact CD1-CG2 4.45Å; F171-T215 HydrophobicContact CD2-CG2 3.71Å; F171-T215 HydrophobicContact CE2-CG2 4.01Å; F171-T215 HydrophobicContact CG-CG2 3.96Å; F171-T215 HydrophobicContact CZ-CG2 4.49Å; L173-T215 HydrophobicContact CD2-CG2 4.14Å; L173-T215 WeakPolarHBondContact CD2-OG1 3.48Å; I211-T215 VanDerWaalsContact O-CB 3.3Å; I211-T215 WeakPolarHBondContact O-CB 3.47Å; I211-T215 PolarHBondContact O-N 3.4Å; I211-T215 VanDerWaalsContact O-N 3.07Å; I211-T215 PolarHBondContact O-OG1 3.09Å; Y212-T215 PolarHBondContact O-N 3.15Å; T215-K218 PolarHBondContact O-N 2.93Å; T215-I219 PolarHBondContact O-N 2.86Å
216V97.4Very high95.6Very high0 Ų039.6 Ų39.60%022%0.218CC..Hα-helixtrans-61.9-47.1175.5173.80000110.9L149 I154 F171 M183 Y212 K218 I219 L220L149-V216 HydrophobicContact CD1-CB 4.19Å; L149-V216 HydrophobicContact CD1-CG1 3.94Å; L149-V216 HydrophobicContact CD2-CG1 4.11Å; I154-V216 HydrophobicContact CD1-CB 4.49Å; I154-V216 HydrophobicContact CD1-CG1 3.7Å; I154-V216 HydrophobicContact CD1-CG2 3.95Å; F171-V216 HydrophobicContact CZ-CG2 4.43Å; M183-V216 HydrophobicContact SD-CB 4.36Å; M183-V216 HydrophobicContact SD-CG1 3.96Å; M183-V216 HydrophobicContact SD-CG2 3.79Å; Y212-V216 HydrophobicContact CD1-CG2 4.24Å; Y212-V216 HydrophobicContact CD2-CG2 4.27Å; Y212-V216 HydrophobicContact CE1-CG2 3.89Å; Y212-V216 HydrophobicContact CE2-CG2 3.89Å; Y212-V216 HydrophobicContact CG-CG2 4.45Å; Y212-V216 WeakPolarHBondContact O-CG2 3.36Å; Y212-V216 PolarHBondContact O-N 3.06Å; V216-K218 VanDerWaalsContact C-N 3.26Å; V216-K218 PolarHBondContact O-N 3.27Å; V216-I219 WeakPolarHBondContact O-CB 3.14Å; V216-I219 PolarHBondContact O-N 3.16Å; V216-L220 HydrophobicContact CG1-CD1 3.8Å; V216-L220 HydrophobicContact CG1-CG 4.17Å; V216-L220 WeakPolarHBondContact O-CG 3.24Å; V216-L220 PolarHBondContact O-N 2.93Å
217A97.1Very high95.7Very high7 Ų739.6 Ų39.66%0.05822%0.218CC..Hα-helixtrans-58-39179.100000112I204 A213 I219 L220 D221 I231I204-A217 HydrophobicContact CD1-CB 3.76Å; A213-A217 VanDerWaalsContact O-CB 3.22Å; A213-A217 WeakPolarHBondContact O-CB 3.43Å; A213-A217 PolarHBondContact O-N 3.48Å; A217-I219 VanDerWaalsContact C-N 3.28Å; A217-I219 PolarHBondContact O-N 3.17Å; A217-L220 PolarHBondContact O-N 3.38Å; A217-D221 WeakPolarHBondContact O-CA 3.35Å; A217-D221 PolarHBondContact O-N 3.47Å; A217-I231 HydrophobicContact CB-CD1 3.51Å; A217-I231 HydrophobicContact CB-CG1 4.47Å
218K96.3Very high95.5Very high154 Ų15440.5 Ų40.567%0.6723%0.23SC*.Hα-helixtrans-66.6-27.8176.5-170.4173.5-177.8-179.50113.3H214 T215 V216 P222H214-K218 WeakPolarHBondContact O-CB 3.32Å; H214-K218 PolarHBondContact O-N 2.75Å; T215-K218 PolarHBondContact O-N 2.93Å; V216-K218 VanDerWaalsContact C-N 3.26Å; V216-K218 PolarHBondContact O-N 3.27Å; K218-P222 VanDerWaalsContact O-CA 3.32Å; K218-P222 WeakPolarHBondContact O-CA 3.33Å
219I96.7Very high95.2Very high26 Ų2647 Ų4713%0.13326%0.26CS..Hα-helixtrans-76.2-40.6173.5-64.6167.4000110.3H169 F171 M183 T215 V216 A217H169-I219 HydrophobicContact CB-CD1 4.2Å; F171-I219 HydrophobicContact CD1-CD1 4.03Å; F171-I219 HydrophobicContact CE1-CD1 4.17Å; M183-I219 HydrophobicContact CE-CB 4.04Å; M183-I219 HydrophobicContact CE-CD1 3.54Å; M183-I219 HydrophobicContact CE-CG1 4.39Å; M183-I219 HydrophobicContact CE-CG2 3.68Å; T215-I219 PolarHBondContact O-N 2.86Å; V216-I219 WeakPolarHBondContact O-CB 3.14Å; V216-I219 PolarHBondContact O-N 3.16Å; A217-I219 VanDerWaalsContact C-N 3.28Å; A217-I219 PolarHBondContact O-N 3.17Å
220L97.3Very high95.2Very high4 Ų449 Ų492%0.02126%0.263CS..Hα-helixtrans-74.7-35.4-179.4-66.4178.2000113.7L149 I154 L185 T189 I190 L193 V216 A217 F227L149-L220 HydrophobicContact CD2-CD1 3.98Å; I154-L220 HydrophobicContact CG2-CD2 4.4Å; L185-L220 HydrophobicContact CD1-CD2 4.38Å; L185-L220 HydrophobicContact CD2-CD2 3.57Å; T189-L220 HydrophobicContact CG2-CD2 3.61Å; I190-L220 HydrophobicContact CD1-CD2 4.41Å; L193-L220 HydrophobicContact CD1-CB 4.13Å; L193-L220 HydrophobicContact CD1-CD1 4.46Å; L193-L220 HydrophobicContact CD1-CD2 4.29Å; V216-L220 HydrophobicContact CG1-CD1 3.8Å; V216-L220 HydrophobicContact CG1-CG 4.17Å; V216-L220 WeakPolarHBondContact O-CG 3.24Å; V216-L220 PolarHBondContact O-N 2.93Å; A217-L220 PolarHBondContact O-N 3.38Å; L220-F227 HydrophobicContact CB-CE2 4.27Å
221D97.4Very high95.2Very high10 Ų1045.2 Ų45.25%0.05325%0.249CC..  trans-139.770.9-171.3-176.730.9000110.4A217 D223 G224 S225 I226 F227A217-D221 WeakPolarHBondContact O-CA 3.35Å; A217-D221 PolarHBondContact O-N 3.47Å; D221-D223 PolarHBondContact O-N 3.24Å; D221-D223 VanDerWaalsContact OD1-OD1 3.11Å; D221-G224 PolarHBondContact O-N 3.3Å; D221-G224 VanDerWaalsContact O-N 3.08Å; D221-G224 PolarHBondContact OD1-N 2.91Å; D221-G224 WeakPolarHBondContact OD2-CA 3.29Å; D221-S225 PolarHBondContact OD1-N 3.21Å; D221-S225 PolarHBondContact OD1-OG 3.25Å; D221-S225 PolarHBondContact OD2-N 3.17Å; D221-I226 HydrophobicContact CB-CB 4.25Å; D221-I226 VanDerWaalsContact CG-N 3.33Å; D221-I226 PolarHBondContact OD1-N 3.39Å; D221-I226 VanDerWaalsContact OD1-N 3.07Å; D221-I226 WeakPolarHBondContact OD2-CA 3.35Å; D221-I226 PolarHBondContact OD2-N 3.45Å; D221-F227 HydrophobicContact CB-CD2 3.74Å; D221-F227 HydrophobicContact CB-CE2 4.29Å; D221-F227 PolarHBondContact OD2-N 3.42Å
222P96.2Very high95.2Very high104 Ų10441.9 Ų41.968%0.67523%0.232SC*.THydrogen-bonded Turntrans-62.3-27.9-171-23.734.2000114.7K218K218-P222 VanDerWaalsContact O-CA 3.32Å; K218-P222 WeakPolarHBondContact O-CA 3.33Å
223D95.8Very high95Very high126 Ų12641.8 Ų41.867%0.67423%0.232SC*.THydrogen-bonded Turntrans-95.3-4.6178.666.8-0.2000113.5D221 S225D221-D223 PolarHBondContact O-N 3.24Å; D221-D223 VanDerWaalsContact OD1-OD1 3.11Å; D223-S225 PolarHBondContact O-N 2.92Å; D223-S225 WeakPolarHBondContact OD1-CB 3.49Å; D223-S225 PolarHBondContact OD1-N 2.85Å; D223-S225 PolarHBondContact OD1-OG 3.37Å; D223-S225 PolarHBondContact OD2-OG 2.84Å
224G95.2Very high94.8Very high34 Ų3447.2 Ų47.235%0.35125%0.252SS..SBendtrans71.115.7-179.300000114.2D221 G228D221-G224 PolarHBondContact O-N 3.3Å; D221-G224 VanDerWaalsContact O-N 3.08Å; D221-G224 PolarHBondContact OD1-N 2.91Å; D221-G224 WeakPolarHBondContact OD2-CA 3.29Å; G224-G228 VanDerWaalsContact O-CA 3.24Å; G224-G228 WeakPolarHBondContact O-CA 3.43Å; G224-G228 PolarHBondContact O-N 3.47Å
225S96.1Very high94.4Very high82 Ų8247.9 Ų47.957%0.57326%0.258SS*.SBendtrans-75.6-22-175.763.80000113.7D221 D223D221-S225 PolarHBondContact OD1-N 3.21Å; D221-S225 PolarHBondContact OD1-OG 3.25Å; D221-S225 PolarHBondContact OD2-N 3.17Å; D223-S225 PolarHBondContact O-N 2.92Å; D223-S225 WeakPolarHBondContact OD1-CB 3.49Å; D223-S225 PolarHBondContact OD1-N 2.85Å; D223-S225 PolarHBondContact OD1-OG 3.37Å; D223-S225 PolarHBondContact OD2-OG 2.84Å
226I97.3Very high93.8Very high10 Ų1048.3 Ų48.35%0.05126%0.26CS..SBendtrans-96.7-50.6-174.3-59.6179.5000111.9L193 R194 L202 D221 R230L193-I226 HydrophobicContact CB-CD1 3.94Å; L193-I226 HydrophobicContact CB-CG2 4.46Å; R194-I226 HydrophobicContact CG-CD1 4.19Å; L202-I226 HydrophobicContact CB-CG2 4.21Å; L202-I226 HydrophobicContact CD2-CG2 3.77Å; L202-I226 HydrophobicContact CG-CG2 4.4Å; D221-I226 HydrophobicContact CB-CB 4.25Å; D221-I226 VanDerWaalsContact CG-N 3.33Å; D221-I226 PolarHBondContact OD1-N 3.39Å; D221-I226 VanDerWaalsContact OD1-N 3.07Å; D221-I226 WeakPolarHBondContact OD2-CA 3.35Å; D221-I226 PolarHBondContact OD2-N 3.45Å; I226-R230 PolarHBondContact O-NH2 2.87Å
227F95.8Very high93.1Very high1 Ų149.1 Ų49.10%0.00427%0.265CS..SBendtrans-107.1-34.7-177.5-58.2-71.4000111.9L193 L202 I204 L220 D221 H229 R230L193-F227 HydrophobicContact CD1-CE2 4Å; L193-F227 HydrophobicContact CD1-CZ 4.04Å; L193-F227 HydrophobicContact CD2-CE1 4.41Å; L193-F227 HydrophobicContact CD2-CE2 4.34Å; L193-F227 HydrophobicContact CD2-CZ 3.61Å; L193-F227 HydrophobicContact CG-CZ 4.46Å; L202-F227 HydrophobicContact CB-CD1 3.72Å; L202-F227 HydrophobicContact CB-CE1 3.63Å; L202-F227 HydrophobicContact CD2-CE1 3.99Å; L202-F227 HydrophobicContact CD2-CZ 4.29Å; L202-F227 HydrophobicContact CG-CE1 4.42Å; I204-F227 HydrophobicContact CD1-CD1 4.06Å; I204-F227 HydrophobicContact CD1-CD2 3.88Å; I204-F227 HydrophobicContact CD1-CE1 4.13Å; I204-F227 HydrophobicContact CD1-CE2 3.98Å; I204-F227 HydrophobicContact CD1-CG 3.91Å; I204-F227 HydrophobicContact CD1-CZ 4.08Å; I204-F227 HydrophobicContact CG1-CD1 3.69Å; I204-F227 HydrophobicContact CG1-CD2 4.4Å; I204-F227 HydrophobicContact CG1-CE1 3.61Å; I204-F227 HydrophobicContact CG1-CE2 4.35Å; I204-F227 HydrophobicContact CG1-CG 4.08Å; I204-F227 HydrophobicContact CG1-CZ 3.95Å; L220-F227 HydrophobicContact CB-CE2 4.27Å; D221-F227 HydrophobicContact CB-CD2 3.74Å; D221-F227 HydrophobicContact CB-CE2 4.29Å; D221-F227 PolarHBondContact OD2-N 3.42Å; F227-H229 PolarHBondContact O-N 3.24Å; F227-R230 VanDerWaalsContact O-CB 3.28Å; F227-R230 WeakPolarHBondContact O-CB 3.45Å; F227-R230 PolarHBondContact O-N 3.49Å; F227-R230 PolarHBondContact O-NE 2.87Å; F227-R230 PolarHBondContact O-NH2 2.82Å
228G90.7Very high92.3Very high28 Ų2855.2 Ų55.229%0.28929%0.291SS..THydrogen-bonded Turntrans52.2-114.3-173.900000111.5G224G224-G228 VanDerWaalsContact O-CA 3.24Å; G224-G228 WeakPolarHBondContact O-CA 3.43Å; G224-G228 PolarHBondContact O-N 3.47Å
229H88.8Confident91.7Very high136 Ų13650.2 Ų50.263%0.6327%0.271SS*.THydrogen-bonded Turntrans-99.56.3179.6-57-58.3000114.3F227 I231F227-H229 PolarHBondContact O-N 3.24Å; H229-I231 VanDerWaalsContact C-N 3.26Å; H229-I231 PolarHBondContact O-N 3.11Å
230R92.6Very high91.1Very high62 Ų6252.2 Ų52.223%0.23429%0.286CS..  trans-8461.8-176-62.6178.6-67-91.6-12.1111.9E201 L202 H203 I204 I226 F227E201-R230 IonicContact OE2-CZ 2.98Å; E201-R230 IonicContact OE2-NE 3.93Å; E201-R230 IonicContact OE2-NH1 3.26Å; E201-R230 PolarHBondContact OE2-NH1 3.39Å; L202-R230 PolarHBondContact O-NE 2.95Å; H203-R230 CarbonylContact C-O 3.55Å; H203-R230 VanDerWaalsContact CA-O 3.3Å; H203-R230 WeakPolarHBondContact CA-O 3.3Å; H203-R230 HydrophobicContact CB-CB 4.15Å; H203-R230 WeakPolarHBondContact NE2-CD 3.44Å; I204-R230 PolarHBondContact N-O 3.44Å; I226-R230 PolarHBondContact O-NH2 2.87Å; F227-R230 VanDerWaalsContact O-CB 3.28Å; F227-R230 WeakPolarHBondContact O-CB 3.45Å; F227-R230 PolarHBondContact O-N 3.49Å; F227-R230 PolarHBondContact O-NE 2.87Å; F227-R230 PolarHBondContact O-NH2 2.82Å
231I92.6Very high90.5Very high4 Ų455.5 Ų55.52%0.02130%0.301CS..EExtended strand (participates in β ladder)trans-125.5110.4-175.9-55.7172.1000109.1H114 I204 A213 A217 H229H114-I231 WeakPolarHBondContact CB-O 3.28Å; I204-I231 HydrophobicContact CB-CB 4.46Å; I204-I231 HydrophobicContact CB-CG1 4.35Å; I204-I231 HydrophobicContact CB-CG2 4.17Å; I204-I231 HydrophobicContact CD1-CG1 4.3Å; I204-I231 HydrophobicContact CG2-CG2 4.04Å; A213-I231 HydrophobicContact CB-CG2 3.84Å; A217-I231 HydrophobicContact CB-CD1 3.51Å; A217-I231 HydrophobicContact CB-CG1 4.47Å; H229-I231 VanDerWaalsContact C-N 3.26Å; H229-I231 PolarHBondContact O-N 3.11Å
232L92Very high90.1Very high6 Ų658 Ų583%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-97.9115.1169-164.180.2000109.3H114 I204 C205 T206 E236 N246 L250H114-L232 HydrophobicContact CB-CD1 4.3Å; H114-L232 WeakPolarHBondContact ND1-CB 3.22Å; H114-L232 WeakPolarHBondContact ND1-CD1 3.43Å; I204-L232 PolarHBondContact O-N 3.08Å; C205-L232 WeakPolarHBondContact CA-O 3.3Å; T206-L232 PolarHBondContact N-O 3.36Å; L232-E236 HydrophobicContact CD1-CB 3.7Å; L232-E236 HydrophobicContact CG-CB 4.46Å; L232-N246 HydrophobicContact CD2-CB 3.74Å; L232-L250 HydrophobicContact CD2-CD1 4.49Å
233S92.9Very high89.8Confident0 Ų053.1 Ų53.10%028%0.282CS..  trans-104173.4173.382.70000110.7T206 G208 R210 D235 E236 C237T206-S233 CarbonylContact O-C 3.57Å; T206-S233 WeakPolarHBondContact O-CA 3.48Å; G208-S233 WeakPolarHBondContact O-CB 3.38Å; R210-S233 VanDerWaalsContact CA-OG 3.26Å; R210-S233 WeakPolarHBondContact CA-OG 3.24Å; R210-S233 WeakPolarHBondContact CB-OG 3.21Å; R210-S233 PolarHBondContact N-OG 3.47Å; S233-D235 PolarHBondContact O-N 2.83Å; S233-D235 VanDerWaalsContact O-N 3.09Å; S233-D235 PolarHBondContact OG-N 3.35Å; S233-E236 WeakPolarHBondContact CA-OE2 3.36Å; S233-E236 VanDerWaalsContact CB-OE2 3.24Å; S233-E236 WeakPolarHBondContact CB-OE2 3.13Å; S233-E236 PolarHBondContact N-OE2 3.4Å; S233-E236 PolarHBondContact O-N 2.94Å; S233-E236 VanDerWaalsContact OG-CD 3.24Å; S233-E236 PolarHBondContact OG-OE1 2.85Å; S233-E236 PolarHBondContact OG-OE2 2.9Å; S233-C237 PolarHBondContact O-N 3.12Å; S233-C237 PolarHBondContact O-SG 3.37Å
234R90.8Very high89.4Confident114 Ų11449 Ų4943%0.4326%0.262SS..THydrogen-bonded Turntrans-53.1-32.3175.1-177.717966.9-161.23.3113.1T206 F207 G208 E236 C237T206-R234 PolarHBondContact O-N 3.27Å; F207-R234 VanDerWaalsContact O-CB 3.28Å; F207-R234 WeakPolarHBondContact O-CB 3.17Å; F207-R234 WeakPolarHBondContact O-CD 3.37Å; G208-R234 WeakPolarHBondContact O-CB 3.35Å; G208-R234 PolarHBondContact O-N 3.35Å; R234-E236 PolarHBondContact O-N 2.91Å; R234-C237 PolarHBondContact O-N 3.49Å
235D87.7Confident88.7Confident87 Ų8749.7 Ų49.747%0.46526%0.264SS..THydrogen-bonded Turntrans-72.6-16.3-174.3-55.4-21.3000111.7R210 S233R210-D235 HydrophobicContact CB-CB 4.26Å; R210-D235 WeakPolarHBondContact CB-OD2 3.18Å; R210-D235 PolarHBondContact N-OD2 3.24Å; S233-D235 PolarHBondContact O-N 2.83Å; S233-D235 VanDerWaalsContact O-N 3.09Å; S233-D235 PolarHBondContact OG-N 3.35Å
236E84Confident88.2Confident19 Ų1945.8 Ų45.89%0.08924%0.237CC..THydrogen-bonded Turntrans-106.3-9.8173.9-58.879.3-130.200113.6H114 P117 R210 L232 S233 R234 F238H114-E236 WeakPolarHBondContact O-CG 3.47Å; P117-E236 HydrophobicContact CB-CG 4.49Å; P117-E236 HydrophobicContact CG-CG 4.22Å; R210-E236 IonicContact CZ-OE1 3.36Å; R210-E236 IonicContact NE-OE1 2.77Å; R210-E236 PolarHBondContact NE-OE1 3.32Å; R210-E236 IonicContact NH2-OE1 2.85Å; R210-E236 PolarHBondContact NH2-OE1 3.37Å; L232-E236 HydrophobicContact CD1-CB 3.7Å; L232-E236 HydrophobicContact CG-CB 4.46Å; S233-E236 WeakPolarHBondContact CA-OE2 3.36Å; S233-E236 VanDerWaalsContact CB-OE2 3.24Å; S233-E236 WeakPolarHBondContact CB-OE2 3.13Å; S233-E236 PolarHBondContact N-OE2 3.4Å; S233-E236 PolarHBondContact O-N 2.94Å; S233-E236 VanDerWaalsContact OG-CD 3.24Å; S233-E236 PolarHBondContact OG-OE1 2.85Å; S233-E236 PolarHBondContact OG-OE2 2.9Å; R234-E236 PolarHBondContact O-N 2.91Å; E236-F238 PolarHBondContact O-N 2.87Å
237C82Confident87.6Confident18 Ų1845.8 Ų45.812%0.12224%0.237CC..  trans-66127.4179.3-80.30000110.8S233 R234 D239 N246S233-C237 PolarHBondContact O-N 3.12Å; S233-C237 PolarHBondContact O-SG 3.37Å; R234-C237 PolarHBondContact O-N 3.49Å; C237-D239 PolarHBondContact O-N 2.82Å; C237-N246 WeakPolarHBondContact CA-OD1 3.38Å
238F80.9Confident86.9Confident135 Ų13551.5 Ų51.559%0.59226%0.263SS*.SBendtrans-64.7-31.1174.7-63.3-67.9000113E236 A245 N246E236-F238 PolarHBondContact O-N 2.87Å; F238-A245 HydrophobicContact CB-CB 4.44Å; F238-N246 HydrophobicContact CD2-CB 4.46Å; F238-N246 WeakPolarHBondContact CD2-OD1 3.24Å; F238-N246 PolarHBondContact N-OD1 2.8Å; F238-N246 VanDerWaalsContact N-OD1 3.12Å
239D82.7Confident86.3Confident48 Ų4850.8 Ų50.826%0.25725%0.253SS..SBendtrans-123.8123.9177.8-171.1-44.1000109.1C237 H241 L242 A245C237-D239 PolarHBondContact O-N 2.82Å; D239-H241 PolarHBondContact O-N 2.86Å; D239-H241 WeakPolarHBondContact OD1-CA 3.21Å; D239-H241 WeakPolarHBondContact OD1-CB 3.37Å; D239-H241 PolarHBondContact OD1-N 2.78Å; D239-L242 HydrophobicContact CB-CB 4.14Å; D239-L242 PolarHBondContact OD1-N 3.01Å; D239-L242 VanDerWaalsContact OD1-N 3.1Å; D239-A245 HydrophobicContact CB-CB 3.82Å
240P83.2Confident85.9Confident68 Ų6845.3 Ų45.344%0.44223%0.229SC..SBendtrans-71.8-7.6-178.929.6-34.6000113.9F207 P292F207-P240 VanDerWaalsContact CE1-O 3.29Å; F207-P240 WeakPolarHBondContact CE1-O 2.93Å; P240-P292 WeakPolarHBondContact O-CB 3.43Å
241H86.1Confident85.7Confident73 Ų7343.8 Ų43.834%0.33822%0.224SC..SBendtrans-116.4-22.5-179.8-59.7-72.9000113.4D239 P292 P293 M295D239-H241 PolarHBondContact O-N 2.86Å; D239-H241 WeakPolarHBondContact OD1-CA 3.21Å; D239-H241 WeakPolarHBondContact OD1-CB 3.37Å; D239-H241 PolarHBondContact OD1-N 2.78Å; H241-P292 WeakPolarHBondContact ND1-CB 3.46Å; H241-P293 PolarHBondContact CE1-O 2.9Å; H241-M295 HydrophobicContact CB-SD 4.26Å
242L88.8Confident85.2Confident62 Ų6244.4 Ų44.433%0.32523%0.228SC..  trans-123.7116.4-176.2-65.9174.3000112.8D239 T244 V267D239-L242 HydrophobicContact CB-CB 4.14Å; D239-L242 PolarHBondContact OD1-N 3.01Å; D239-L242 VanDerWaalsContact OD1-N 3.1Å; L242-T244 VanDerWaalsContact C-N 3.34Å; L242-V267 CarbonylContact C-O 3.41Å; L242-V267 WeakPolarHBondContact CA-O 3.2Å
243K90.2Very high84.9Confident3 Ų346.2 Ų46.21%0.01324%0.241CC..G310 helixtrans-71-30.5173.6-66.9-177.7179.6178.80112D148 C205 F207 A245 N246 D262 V267 W268D148-K243 VanDerWaalsContact CG-NZ 3.27Å; D148-K243 IonicContact OD1-NZ 2.88Å; D148-K243 PolarHBondContact OD1-NZ 2.73Å; C205-K243 WeakPolarHBondContact O-CE 3.24Å; C205-K243 PolarHBondContact O-NZ 3.3Å; F207-K243 HydrophobicContact CD2-CG 4.4Å; F207-K243 HydrophobicContact CE1-CG 4.24Å; F207-K243 HydrophobicContact CE2-CD 4.21Å; F207-K243 HydrophobicContact CE2-CG 3.7Å; F207-K243 HydrophobicContact CZ-CG 3.61Å; K243-A245 PolarHBondContact O-N 2.81Å; K243-A245 VanDerWaalsContact O-N 3.1Å; K243-N246 WeakPolarHBondContact O-CB 3.41Å; K243-N246 PolarHBondContact O-N 3.38Å; K243-N246 PolarHBondContact O-ND2 2.99Å; K243-D262 IonicContact NZ-OD2 2.78Å; K243-D262 PolarHBondContact NZ-OD2 2.86Å; K243-V267 HydrophobicContact CD-CG2 4.14Å; K243-V267 HydrophobicContact CG-CG2 4.44Å; K243-V267 PolarHBondContact N-O 3.09Å; K243-W268 HydrophobicContact CB-CD2 3.89Å; K243-W268 HydrophobicContact CB-CE3 3.88Å; K243-W268 HydrophobicContact CB-CH2 3.66Å; K243-W268 HydrophobicContact CB-CZ2 3.63Å; K243-W268 HydrophobicContact CB-CZ3 3.77Å; K243-W268 HydrophobicContact CD-CH2 4.34Å; K243-W268 HydrophobicContact CD-CZ2 3.54Å; K243-W268 HydrophobicContact CG-CZ2 4.22Å
244T87.5Confident84.6Confident40 Ų4048.2 Ų48.225%0.24526%0.261CS..G310 helixtrans-55.9-29.8-179.9-41.30000113.2L242 N246 L247 W268L242-T244 VanDerWaalsContact C-N 3.34Å; T244-N246 PolarHBondContact O-N 2.61Å; T244-N246 VanDerWaalsContact O-N 3.09Å; T244-L247 HydrophobicContact CG2-CD1 3.85Å; T244-L247 PolarHBondContact O-N 2.57Å; T244-L247 VanDerWaalsContact O-N 3.11Å; T244-W268 WeakPolarHBondContact OG1-CA 3.3Å; T244-W268 PolarHBondContact OG1-O 2.82Å
245A80.9Confident84.7Confident47 Ų4745.9 Ų45.939%0.38826%0.255SS..G310 helixtrans-58.7-23.8178.900000112.9F238 D239 K243F238-A245 HydrophobicContact CB-CB 4.44Å; D239-A245 HydrophobicContact CB-CB 3.82Å; K243-A245 PolarHBondContact O-N 2.81Å; K243-A245 VanDerWaalsContact O-N 3.1Å
246N84.3Confident84.9Confident1 Ų144.3 Ų44.31%0.00525%0.247CC..G310 helixtrans-83.9-22.7-179.2-56.8-73.5000113.2L232 C237 F238 K243 T244 H248 S249 L250L232-N246 HydrophobicContact CD2-CB 3.74Å; C237-N246 WeakPolarHBondContact CA-OD1 3.38Å; F238-N246 HydrophobicContact CD2-CB 4.46Å; F238-N246 WeakPolarHBondContact CD2-OD1 3.24Å; F238-N246 PolarHBondContact N-OD1 2.8Å; F238-N246 VanDerWaalsContact N-OD1 3.12Å; K243-N246 WeakPolarHBondContact O-CB 3.41Å; K243-N246 PolarHBondContact O-N 3.38Å; K243-N246 PolarHBondContact O-ND2 2.99Å; T244-N246 PolarHBondContact O-N 2.61Å; T244-N246 VanDerWaalsContact O-N 3.09Å; N246-H248 VanDerWaalsContact C-N 3.3Å; N246-H248 PolarHBondContact O-N 2.78Å; N246-H248 VanDerWaalsContact O-N 3.16Å; N246-S249 WeakPolarHBondContact O-CB 3.48Å; N246-S249 PolarHBondContact O-N 3.5Å; N246-L250 HydrophobicContact CB-CD1 4.22Å; N246-L250 HydrophobicContact CB-CG 4.46Å; N246-L250 WeakPolarHBondContact O-CG 3.43Å; N246-L250 PolarHBondContact O-N 3.24Å; N246-L250 VanDerWaalsContact O-N 3.09Å
247L85.4Confident85.5Confident9 Ų943.9 Ų43.95%0.04725%0.245CC..Hα-helixtrans-55.8-40.7-170.5-70.4175.6000113.4L146 T244 S249 L250 F251 E255 I260 W268L146-L247 HydrophobicContact CD1-CD2 3.51Å; T244-L247 HydrophobicContact CG2-CD1 3.85Å; T244-L247 PolarHBondContact O-N 2.57Å; T244-L247 VanDerWaalsContact O-N 3.11Å; L247-S249 VanDerWaalsContact C-N 3.31Å; L247-S249 PolarHBondContact O-N 3.09Å; L247-L250 PolarHBondContact O-N 3.05Å; L247-F251 HydrophobicContact CD2-CD2 4.23Å; L247-F251 HydrophobicContact CD2-CE2 4.22Å; L247-F251 PolarHBondContact O-N 2.95Å; L247-E255 WeakPolarHBondContact CD1-OE2 3.47Å; L247-I260 HydrophobicContact CD1-CD1 4.43Å; L247-I260 HydrophobicContact CD2-CD1 4.5Å; L247-W268 HydrophobicContact CD1-CE3 4.32Å; L247-W268 HydrophobicContact CD1-CZ3 4.08Å; L247-W268 HydrophobicContact CD2-CH2 4.47Å; L247-W268 HydrophobicContact CD2-CZ3 3.83Å; L247-W268 HydrophobicContact CG-CZ3 3.95Å
248H80.9Confident86.2Confident122 Ų12243.1 Ų43.157%0.56524%0.24SC*.Hα-helixtrans-66.1-32.5178.6-176.6-76000112.8N246N246-H248 VanDerWaalsContact C-N 3.3Å; N246-H248 PolarHBondContact O-N 2.78Å; N246-H248 VanDerWaalsContact O-N 3.16Å
249S77.5Confident87Confident12 Ų1236.7 Ų36.78%0.08421%0.211CC..Hα-helixtrans-75.1-36.1177.2-162.60000111.6S111 N246 L247S111-S249 PolarHBondContact O-OG 3.34Å; N246-S249 WeakPolarHBondContact O-CB 3.48Å; N246-S249 PolarHBondContact O-N 3.5Å; L247-S249 VanDerWaalsContact C-N 3.31Å; L247-S249 PolarHBondContact O-N 3.09Å
250L81.1Confident87.8Confident22 Ų2234.4 Ų34.412%0.11520%0.199CC..Hα-helixtrans-77.2-38.5-178.6-59-179.3000112.5H114 L232 N246 L247 P252H114-L250 WeakPolarHBondContact CE1-CD1 3.28Å; H114-L250 WeakPolarHBondContact CE1-CD2 3.18Å; H114-L250 WeakPolarHBondContact ND1-CD2 3.24Å; L232-L250 HydrophobicContact CD2-CD1 4.49Å; N246-L250 HydrophobicContact CB-CD1 4.22Å; N246-L250 HydrophobicContact CB-CG 4.46Å; N246-L250 WeakPolarHBondContact O-CG 3.43Å; N246-L250 PolarHBondContact O-N 3.24Å; N246-L250 VanDerWaalsContact O-N 3.09Å; L247-L250 PolarHBondContact O-N 3.05Å; L250-P252 VanDerWaalsContact C-CD 3.49Å; L250-P252 WeakPolarHBondContact O-CD 3.46Å
251F87.4Confident88.5Confident30 Ų3031.1 Ų31.113%0.13218%0.178CC..  trans-128.974.8-176.9-47.5-71.9000110.1V144 L146 L247 C253 G254 V258V144-F251 HydrophobicContact CB-CE1 4.36Å; V144-F251 HydrophobicContact CG1-CE1 3.86Å; V144-F251 HydrophobicContact CG1-CZ 3.67Å; V144-F251 HydrophobicContact CG2-CE1 4.06Å; L146-F251 HydrophobicContact CD1-CE2 4.11Å; L146-F251 HydrophobicContact CD2-CE2 4.04Å; L146-F251 HydrophobicContact CD2-CZ 3.89Å; L146-F251 HydrophobicContact CG-CE2 4.39Å; L247-F251 HydrophobicContact CD2-CD2 4.23Å; L247-F251 HydrophobicContact CD2-CE2 4.22Å; L247-F251 PolarHBondContact O-N 2.95Å; F251-C253 PolarHBondContact O-N 3.38Å; F251-G254 VanDerWaalsContact CB-O 3.28Å; F251-G254 WeakPolarHBondContact CB-O 3.34Å; F251-G254 PolarHBondContact O-N 2.89Å; F251-V258 HydrophobicContact CB-CG2 4.47Å; F251-V258 HydrophobicContact CD1-CG2 3.87Å; F251-V258 HydrophobicContact CD2-CG1 4.45Å; F251-V258 HydrophobicContact CD2-CG2 3.62Å; F251-V258 HydrophobicContact CE1-CG2 3.99Å; F251-V258 HydrophobicContact CE2-CG1 3.97Å; F251-V258 HydrophobicContact CE2-CG2 3.74Å; F251-V258 HydrophobicContact CG-CG2 3.69Å; F251-V258 HydrophobicContact CZ-CG1 4.34Å; F251-V258 HydrophobicContact CZ-CG2 3.93Å
252P83.1Confident89Confident16 Ų1627.7 Ų27.710%0.10416%0.162CC..THydrogen-bonded Turntrans-58.1-21.3-179-24.131.5000114.8M112 A126 A130 L250M112-P252 HydrophobicContact SD-CG 3.92Å; A126-P252 HydrophobicContact CB-CB 4.29Å; A126-P252 HydrophobicContact CB-CG 3.95Å; A130-P252 HydrophobicContact CB-CB 4.31Å; A130-P252 HydrophobicContact CB-CG 4.27Å; L250-P252 VanDerWaalsContact C-CD 3.49Å; L250-P252 WeakPolarHBondContact O-CD 3.46Å
253C84.6Confident89.3Confident45 Ų4525 Ų2530%0.30415%0.148SC..THydrogen-bonded Turntrans-92.33176.8-72.70000113.9A130 F251A130-C253 HydrophobicContact CB-CB 4.06Å; A130-C253 VanDerWaalsContact CB-SG 3.56Å; F251-C253 PolarHBondContact O-N 3.38Å
254G88.1Confident89.4Confident41 Ų4125.6 Ų25.642%0.42315%0.15SC..  trans108.3171.9179.200000113.6F251F251-G254 VanDerWaalsContact CB-O 3.28Å; F251-G254 WeakPolarHBondContact CB-O 3.34Å; F251-G254 PolarHBondContact O-N 2.89Å
255E91.7Very high89.6Confident65 Ų6524.8 Ų24.830%0.30414%0.144SC..SBendtrans-101.312.4-171.754.8-179.7-162.400113.3L247 M257 V258 C389L247-E255 WeakPolarHBondContact CD1-OE2 3.47Å; E255-M257 PolarHBondContact O-N 3.13Å; E255-V258 HydrophobicContact CB-CB 4.35Å; E255-V258 HydrophobicContact CB-CG2 4.39Å; E255-V258 PolarHBondContact O-N 2.89Å; E255-C389 PolarHBondContact OE1-SG 2.93Å
256D93.2Very high90Very high54 Ų5424.6 Ų24.629%0.28914%0.136SC..THydrogen-bonded Turntrans-59.9-23.4-173.3-69.8-29.6000114.2S387 L388D256-S387 WeakPolarHBondContact OD1-CB 3.37Å; D256-S387 PolarHBondContact OD1-OG 3.31Å; D256-L388 WeakPolarHBondContact O-CB 3.41Å; D256-L388 WeakPolarHBondContact O-CG 3.39Å; D256-L388 PolarHBondContact O-N 2.7Å
257M95.9Very high90.4Very high10 Ų1024.6 Ų24.65%0.04914%0.136CC..THydrogen-bonded Turntrans-110.88.9178.4-65.9-17763.900113.4E134 L137 L138 K142 L143 V144 E255 F372 L388E134-M257 HydrophobicContact CG-SD 3.77Å; L137-M257 HydrophobicContact CB-CE 3.69Å; L137-M257 HydrophobicContact CD1-CE 4.31Å; L138-M257 HydrophobicContact CD1-SD 4.47Å; L138-M257 HydrophobicContact CD2-CE 3.54Å; L138-M257 HydrophobicContact CD2-SD 3.9Å; L138-M257 HydrophobicContact CG-CE 3.8Å; L138-M257 HydrophobicContact CG-SD 4.02Å; K142-M257 WeakPolarHBondContact O-CE 3.49Å; L143-M257 HydrophobicContact CD2-CB 3.98Å; L143-M257 HydrophobicContact CD2-CE 3.94Å; L143-M257 HydrophobicContact CD2-CG 4.17Å; V144-M257 PolarHBondContact N-O 3.48Å; E255-M257 PolarHBondContact O-N 3.13Å; M257-F372 HydrophobicContact CG-CE2 4.2Å; M257-F372 HydrophobicContact CG-CZ 3.82Å; M257-F372 HydrophobicContact SD-CZ 4.44Å; M257-L388 VanDerWaalsContact C-CD1 3.48Å
258V96.9Very high90.8Very high2 Ų224.3 Ų24.31%0.01214%0.135CC..EExtended strand (participates in β ladder)trans-101.1120.7-175.9-1750000110.1V144 L146 F251 E255 I260 N273V144-V258 HydrophobicContact CB-CG2 4.24Å; V144-V258 HydrophobicContact CG1-CG1 4.4Å; L146-V258 HydrophobicContact CD1-CG1 3.87Å; L146-V258 HydrophobicContact CG-CG1 3.75Å; F251-V258 HydrophobicContact CB-CG2 4.47Å; F251-V258 HydrophobicContact CD1-CG2 3.87Å; F251-V258 HydrophobicContact CD2-CG1 4.45Å; F251-V258 HydrophobicContact CD2-CG2 3.62Å; F251-V258 HydrophobicContact CE1-CG2 3.99Å; F251-V258 HydrophobicContact CE2-CG1 3.97Å; F251-V258 HydrophobicContact CE2-CG2 3.74Å; F251-V258 HydrophobicContact CG-CG2 3.69Å; F251-V258 HydrophobicContact CZ-CG1 4.34Å; F251-V258 HydrophobicContact CZ-CG2 3.93Å; E255-V258 HydrophobicContact CB-CB 4.35Å; E255-V258 HydrophobicContact CB-CG2 4.39Å; E255-V258 PolarHBondContact O-N 2.89Å; V258-I260 HydrophobicContact CG1-CG1 4.29Å; V258-N273 WeakPolarHBondContact O-CB 3.34Å; V258-N273 PolarHBondContact O-ND2 2.9Å
259C98.2Very high91.4Very high0 Ų023.4 Ų23.40%013%0.134CC..EExtended strand (participates in β ladder)trans-102.7143.7167.5-1710000108.9V144 L145 L146 Y200 L388 I392V144-C259 PolarHBondContact O-N 3.33Å; L145-C259 CarbonylContact C-O 3.52Å; L145-C259 WeakPolarHBondContact CA-O 3.44Å; L145-C259 HydrophobicContact CD1-CB 3.94Å; L146-C259 PolarHBondContact N-O 2.66Å; Y200-C259 HydrophobicContact CE1-CB 4.01Å; C259-L388 HydrophobicContact CB-CD1 4.09Å; C259-I392 HydrophobicContact CB-CD1 4.37Å
260I98.3Very high91.9Very high0 Ų026.3 Ų26.30%014%0.144CC..EExtended strand (participates in β ladder)trans-122135.2-178.9-50.2175.3000108.9L146 L247 V258 W268 A271 N273 L274 V275L146-I260 HydrophobicContact CB-CG1 4.26Å; L146-I260 HydrophobicContact CB-CG2 4.28Å; L146-I260 HydrophobicContact CD1-CD1 4.43Å; L146-I260 HydrophobicContact CD1-CG1 4.17Å; L146-I260 HydrophobicContact CG-CG1 4.47Å; L247-I260 HydrophobicContact CD1-CD1 4.43Å; L247-I260 HydrophobicContact CD2-CD1 4.5Å; V258-I260 HydrophobicContact CG1-CG1 4.29Å; I260-W268 HydrophobicContact CD1-CD2 4.05Å; I260-W268 HydrophobicContact CD1-CE3 3.68Å; I260-W268 HydrophobicContact CD1-CH2 4.27Å; I260-W268 HydrophobicContact CD1-CZ3 3.8Å; I260-W268 HydrophobicContact CG2-CD2 3.9Å; I260-W268 VanDerWaalsContact CG2-CE2 3.45Å; I260-W268 HydrophobicContact CG2-CE3 4.47Å; I260-W268 HydrophobicContact CG2-CG 4.34Å; I260-W268 HydrophobicContact CG2-CH2 4.2Å; I260-W268 HydrophobicContact CG2-CZ2 3.61Å; I260-A271 HydrophobicContact CD1-CB 4.37Å; I260-N273 PolarHBondContact N-O 3.25Å; I260-N273 VanDerWaalsContact N-O 3.08Å; I260-L274 HydrophobicContact CB-CB 4.5Å; I260-L274 HydrophobicContact CB-CD1 3.88Å; I260-L274 HydrophobicContact CG2-CD1 3.56Å; I260-V275 PolarHBondContact O-N 3.29Å
261I98.4Very high92.5Very high0 Ų026 Ų260%015%0.145CC..EExtended strand (participates in β ladder)trans-119.7122.9166.457.6173000109.5L145 L146 V147 D148 T152 F192 V275 V277 L361 L365L145-I261 HydrophobicContact CD1-CG1 4.29Å; L145-I261 HydrophobicContact CD1-CG2 4.09Å; L145-I261 HydrophobicContact CD2-CD1 4.25Å; L145-I261 HydrophobicContact CG-CG1 4.49Å; L146-I261 PolarHBondContact O-N 2.98Å; V147-I261 HydrophobicContact CB-CD1 4.42Å; V147-I261 HydrophobicContact CB-CG1 4.32Å; V147-I261 HydrophobicContact CG1-CD1 4.07Å; V147-I261 HydrophobicContact CG1-CG1 4.32Å; V147-I261 HydrophobicContact CG2-CD1 4.03Å; V147-I261 HydrophobicContact CG2-CG1 4.12Å; D148-I261 PolarHBondContact N-O 3.34Å; D148-I261 VanDerWaalsContact N-O 3.12Å; T152-I261 HydrophobicContact CG2-CD1 4.48Å; T152-I261 HydrophobicContact CG2-CG1 4.47Å; F192-I261 HydrophobicContact CE1-CD1 4.14Å; F192-I261 HydrophobicContact CZ-CD1 4.02Å; I261-V275 HydrophobicContact CG2-CB 4.15Å; I261-V277 HydrophobicContact CB-CG1 4.14Å; I261-V277 HydrophobicContact CG2-CG1 4.37Å; I261-L361 HydrophobicContact CD1-CD2 4.08Å; I261-L361 HydrophobicContact CG2-CD1 4.07Å; I261-L361 HydrophobicContact CG2-CD2 4.3Å; I261-L365 HydrophobicContact CG2-CD1 4.38Å; I261-L365 HydrophobicContact CG2-CD2 4.14Å
262D97.8Very high92.9Very high1 Ų126.9 Ų26.91%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-158.7142.7-178.1-159.2-58.5000109.2D148 K243 R264 W268 L274 H276 V277D148-D262 HydrophobicContact CB-CB 4.08Å; D148-D262 WeakPolarHBondContact CB-OD2 3.46Å; K243-D262 IonicContact NZ-OD2 2.78Å; K243-D262 PolarHBondContact NZ-OD2 2.86Å; D262-R264 PolarHBondContact O-N 3.47Å; D262-R264 WeakPolarHBondContact OD1-CB 3.23Å; D262-R264 PolarHBondContact OD1-N 3.22Å; D262-W268 VanDerWaalsContact CB-NE1 3.32Å; D262-W268 VanDerWaalsContact CG-NE1 3.26Å; D262-W268 PolarHBondContact OD2-NE1 3.05Å; D262-L274 HydrophobicContact CB-CD1 3.82Å; D262-H276 WeakPolarHBondContact O-CA 3.46Å; D262-V277 VanDerWaalsContact O-CG2 3.3Å; D262-V277 WeakPolarHBondContact O-CG2 3.34Å; D262-V277 PolarHBondContact O-N 3.01Å
263D95.1Very high93.5Very high6 Ų626.1 Ų26.13%0.03215%0.149CC..SBendtrans-76.2-8.117883.8-65.4000112Q151 T152 H276 V277 P279Q151-D263 HydrophobicContact CB-CB 4.43Å; T152-D263 PolarHBondContact OG1-N 3.12Å; D263-H276 PolarHBondContact O-CD2 2.96Å; D263-H276 PolarHBondContact O-NE2 3.25Å; D263-V277 WeakPolarHBondContact CA-O 3.42Å; D263-V277 HydrophobicContact CB-CG2 4.1Å; D263-V277 VanDerWaalsContact N-CG2 3.3Å; D263-P279 HydrophobicContact CB-CB 4.3Å; D263-P279 HydrophobicContact CB-CG 4.05Å
264R92Very high94.1Very high14 Ų1424.2 Ų24.25%0.05314%0.136CC..  trans-121.6115-176.7-71.6-17464.2-179.5-4.4112.3D262 D266 V267 M295D262-R264 PolarHBondContact O-N 3.47Å; D262-R264 WeakPolarHBondContact OD1-CB 3.23Å; D262-R264 PolarHBondContact OD1-N 3.22Å; R264-D266 WeakPolarHBondContact CB-OD1 3.24Å; R264-D266 IonicContact CZ-OD1 2.73Å; R264-D266 IonicContact CZ-OD2 3.59Å; R264-D266 IonicContact NE-OD1 2.71Å; R264-D266 PolarHBondContact NE-OD1 3.07Å; R264-D266 VanDerWaalsContact NE-OD1 3.16Å; R264-D266 IonicContact NE-OD2 3.16Å; R264-D266 IonicContact NH2-OD1 3.15Å; R264-D266 IonicContact NH2-OD2 3.66Å; R264-D266 PolarHBondContact NH2-OD2 2.81Å; R264-V267 HydrophobicContact CB-CG1 4.24Å; R264-V267 HydrophobicContact CB-CG2 3.82Å; R264-V267 VanDerWaalsContact CZ-CG1 3.47Å; R264-V267 WeakPolarHBondContact O-CG2 3.47Å; R264-M295 VanDerWaalsContact NH2-CB 3.31Å
265E91Very high94.5Very high23 Ų2322.3 Ų22.311%0.10712%0.116CC..SBendtrans-77.9-29.8175.6-57.7179.2132.500112.9W268 N269 Y270 L274 H276E265-W268 CarbonylContact O-C 3.55Å; E265-W268 PolarHBondContact O-N 2.85Å; E265-N269 PolarHBondContact O-N 2.76Å; E265-Y270 HydrophobicContact CB-CD1 3.57Å; E265-Y270 HydrophobicContact CB-CE1 3.59Å; E265-Y270 PolarHBondContact O-N 3.38Å; E265-L274 HydrophobicContact CB-CD2 3.96Å; E265-L274 HydrophobicContact CG-CD2 3.79Å; E265-H276 VanDerWaalsContact CD-ND1 3.32Å; E265-H276 HydrophobicContact CG-CB 3.8Å; E265-H276 WeakPolarHBondContact OE1-CB 3.41Å; E265-H276 IonicContact OE1-CG 3.59Å; E265-H276 IonicContact OE1-ND1 2.82Å; E265-H276 PolarHBondContact OE1-ND1 3.05Å; E265-H276 IonicContact OE2-ND1 2.71Å
266D90.1Very high94.6Very high43 Ų4321.7 Ų21.723%0.2311%0.113CC..G310 helixtrans-65.4-41.2-175.160.2-40.7000112.2R264 W268 N269 M295R264-D266 WeakPolarHBondContact CB-OD1 3.24Å; R264-D266 IonicContact CZ-OD1 2.73Å; R264-D266 IonicContact CZ-OD2 3.59Å; R264-D266 IonicContact NE-OD1 2.71Å; R264-D266 PolarHBondContact NE-OD1 3.07Å; R264-D266 VanDerWaalsContact NE-OD1 3.16Å; R264-D266 IonicContact NE-OD2 3.16Å; R264-D266 IonicContact NH2-OD1 3.15Å; R264-D266 IonicContact NH2-OD2 3.66Å; R264-D266 PolarHBondContact NH2-OD2 2.81Å; D266-W268 PolarHBondContact O-N 3.39Å; D266-N269 PolarHBondContact O-N 3.46Å; D266-M295 WeakPolarHBondContact OD2-CE 3.43Å
267V92.2Very high94.6Very high1 Ų119.1 Ų19.11%0.00610%0.1CC..G310 helixtrans-68.7-17.2179.1-55.80000113F207 L242 K243 R264F207-V267 HydrophobicContact CE2-CB 3.82Å; F207-V267 HydrophobicContact CE2-CG1 3.73Å; F207-V267 HydrophobicContact CE2-CG2 4.41Å; F207-V267 HydrophobicContact CZ-CB 4.45Å; L242-V267 CarbonylContact C-O 3.41Å; L242-V267 WeakPolarHBondContact CA-O 3.2Å; K243-V267 HydrophobicContact CD-CG2 4.14Å; K243-V267 HydrophobicContact CG-CG2 4.44Å; K243-V267 PolarHBondContact N-O 3.09Å; R264-V267 HydrophobicContact CB-CG1 4.24Å; R264-V267 HydrophobicContact CB-CG2 3.82Å; R264-V267 VanDerWaalsContact CZ-CG1 3.47Å; R264-V267 WeakPolarHBondContact O-CG2 3.47Å
268W93.8Very high94.4Very high3 Ų321.4 Ų21.41%0.01111%0.108CC..G310 helixtrans-101.47.7175.1-71.4105.3000113.2L146 C205 K243 T244 L247 I260 D262 E265 D266 Y270 A271 L274L146-W268 HydrophobicContact CD1-CH2 3.63Å; L146-W268 HydrophobicContact CD1-CZ3 4.15Å; C205-W268 HydrophobicContact CB-CH2 4.43Å; C205-W268 HydrophobicContact CB-CZ2 4.31Å; K243-W268 HydrophobicContact CB-CD2 3.89Å; K243-W268 HydrophobicContact CB-CE3 3.88Å; K243-W268 HydrophobicContact CB-CH2 3.66Å; K243-W268 HydrophobicContact CB-CZ2 3.63Å; K243-W268 HydrophobicContact CB-CZ3 3.77Å; K243-W268 HydrophobicContact CD-CH2 4.34Å; K243-W268 HydrophobicContact CD-CZ2 3.54Å; K243-W268 HydrophobicContact CG-CZ2 4.22Å; T244-W268 WeakPolarHBondContact OG1-CA 3.3Å; T244-W268 PolarHBondContact OG1-O 2.82Å; L247-W268 HydrophobicContact CD1-CE3 4.32Å; L247-W268 HydrophobicContact CD1-CZ3 4.08Å; L247-W268 HydrophobicContact CD2-CH2 4.47Å; L247-W268 HydrophobicContact CD2-CZ3 3.83Å; L247-W268 HydrophobicContact CG-CZ3 3.95Å; I260-W268 HydrophobicContact CD1-CD2 4.05Å; I260-W268 HydrophobicContact CD1-CE3 3.68Å; I260-W268 HydrophobicContact CD1-CH2 4.27Å; I260-W268 HydrophobicContact CD1-CZ3 3.8Å; I260-W268 HydrophobicContact CG2-CD2 3.9Å; I260-W268 VanDerWaalsContact CG2-CE2 3.45Å; I260-W268 HydrophobicContact CG2-CE3 4.47Å; I260-W268 HydrophobicContact CG2-CG 4.34Å; I260-W268 HydrophobicContact CG2-CH2 4.2Å; I260-W268 HydrophobicContact CG2-CZ2 3.61Å; D262-W268 VanDerWaalsContact CB-NE1 3.32Å; D262-W268 VanDerWaalsContact CG-NE1 3.26Å; D262-W268 PolarHBondContact OD2-NE1 3.05Å; E265-W268 CarbonylContact O-C 3.55Å; E265-W268 PolarHBondContact O-N 2.85Å; D266-W268 PolarHBondContact O-N 3.39Å; W268-Y270 PolarHBondContact O-N 3.1Å; W268-Y270 VanDerWaalsContact O-N 3.17Å; W268-A271 HydrophobicContact CB-CB 4.25Å; W268-A271 WeakPolarHBondContact O-CB 3.48Å; W268-A271 PolarHBondContact O-N 3Å; W268-A271 VanDerWaalsContact O-N 3.13Å; W268-L274 HydrophobicContact CB-CD2 4.19Å
269N92.5Very high94.2Very high104 Ų10422.6 Ų22.656%0.55612%0.115SC*.THydrogen-bonded Turntrans49.639.7-175.1-171.941.4000111.8E265 D266 A271E265-N269 PolarHBondContact O-N 2.76Å; D266-N269 PolarHBondContact O-N 3.46Å; N269-A271 VanDerWaalsContact C-N 3.29Å; N269-A271 PolarHBondContact O-N 2.71Å
270Y89.8Confident94.1Very high72 Ų7222.7 Ų22.728%0.28212%0.116SC..THydrogen-bonded Turntrans54.840.7179.9-53.7-83.6000113.9E265 W268 S272 T508E265-Y270 HydrophobicContact CB-CD1 3.57Å; E265-Y270 HydrophobicContact CB-CE1 3.59Å; E265-Y270 PolarHBondContact O-N 3.38Å; W268-Y270 PolarHBondContact O-N 3.1Å; W268-Y270 VanDerWaalsContact O-N 3.17Å; Y270-S272 PolarHBondContact O-N 2.82Å; Y270-T508 WeakPolarHBondContact CE1-O 3.49Å; Y270-T508 PolarHBondContact OH-O 2.95Å
271A93.6Very high93.8Very high17 Ų1727.8 Ų27.814%0.1414%0.135CC..  trans-50.5134.3178.700000112I260 W268 N269 N273 L274I260-A271 HydrophobicContact CD1-CB 4.37Å; W268-A271 HydrophobicContact CB-CB 4.25Å; W268-A271 WeakPolarHBondContact O-CB 3.48Å; W268-A271 PolarHBondContact O-N 3Å; W268-A271 VanDerWaalsContact O-N 3.13Å; N269-A271 VanDerWaalsContact C-N 3.29Å; N269-A271 PolarHBondContact O-N 2.71Å; A271-N273 WeakPolarHBondContact CB-OD1 3.46Å; A271-N273 PolarHBondContact O-N 2.62Å; A271-L274 HydrophobicContact CB-CB 4.48Å; A271-L274 VanDerWaalsContact O-CB 3.23Å; A271-L274 WeakPolarHBondContact O-CB 3.28Å; A271-L274 PolarHBondContact O-N 2.86Å
272S94.4Very high93.5Very high47 Ų4729.1 Ų29.133%0.32914%0.141SC..THydrogen-bonded Turntrans-67.8-22.9-173.156.70000114.4Y270 C389 P393Y270-S272 PolarHBondContact O-N 2.82Å; S272-C389 VanDerWaalsContact CB-O 3.31Å; S272-C389 WeakPolarHBondContact CB-O 3.3Å; S272-C389 VanDerWaalsContact OG-CA 3.28Å; S272-C389 WeakPolarHBondContact OG-CA 3.23Å; S272-C389 WeakPolarHBondContact OG-CB 3.26Å; S272-C389 PolarHBondContact OG-O 3.3Å; S272-C389 VanDerWaalsContact OG-O 3.12Å; S272-P393 WeakPolarHBondContact O-CD 3.44Å
273N96.1Very high93.1Very high0 Ų030.1 Ų30.10%015%0.145CC..THydrogen-bonded Turntrans-91.19.7175.259.6-22.3000113.8V258 I260 A271 L388 I392V258-N273 WeakPolarHBondContact O-CB 3.34Å; V258-N273 PolarHBondContact O-ND2 2.9Å; I260-N273 PolarHBondContact N-O 3.25Å; I260-N273 VanDerWaalsContact N-O 3.08Å; A271-N273 WeakPolarHBondContact CB-OD1 3.46Å; A271-N273 PolarHBondContact O-N 2.62Å; N273-L388 HydrophobicContact CB-CB 4.43Å; N273-I392 HydrophobicContact CB-CD1 4.02Å; N273-I392 WeakPolarHBondContact O-CD1 3.37Å
274L96.6Very high92.5Very high6 Ų635 Ų353%0.03117%0.166CC..EExtended strand (participates in β ladder)trans-81.4129.1171178.567.1000111.5I260 D262 E265 W268 A271I260-L274 HydrophobicContact CB-CB 4.5Å; I260-L274 HydrophobicContact CB-CD1 3.88Å; I260-L274 HydrophobicContact CG2-CD1 3.56Å; D262-L274 HydrophobicContact CB-CD1 3.82Å; E265-L274 HydrophobicContact CB-CD2 3.96Å; E265-L274 HydrophobicContact CG-CD2 3.79Å; W268-L274 HydrophobicContact CB-CD2 4.19Å; A271-L274 HydrophobicContact CB-CB 4.48Å; A271-L274 VanDerWaalsContact O-CB 3.23Å; A271-L274 WeakPolarHBondContact O-CB 3.28Å; A271-L274 PolarHBondContact O-N 2.86Å
275V96.7Very high92.1Very high0 Ų041.4 Ų41.40%020%0.196CC..EExtended strand (participates in β ladder)trans-99.697.2163-179.10000107I260 I261 V277 L361 I364 I368 I392 W484I260-V275 PolarHBondContact O-N 3.29Å; I261-V275 HydrophobicContact CG2-CB 4.15Å; V275-V277 PolarHBondContact O-N 2.78Å; V275-L361 HydrophobicContact CG1-CD1 3.84Å; V275-I364 HydrophobicContact CG1-CG2 4.04Å; V275-I368 HydrophobicContact CG2-CD1 3.6Å; V275-I392 HydrophobicContact CG2-CG2 4.29Å; V275-W484 HydrophobicContact CG1-CH2 4.42Å; V275-W484 HydrophobicContact CG1-CZ2 4.03Å; V275-W484 HydrophobicContact CG2-CH2 3.93Å; V275-W484 HydrophobicContact CG2-CZ2 4.31Å
276H93.9Very high91.9Very high52 Ų5240.9 Ų40.924%0.24120%0.195CC..EExtended strand (participates in β ladder)trans-62.9120.9177.7175.9-163.2000109.8D262 D263 E265D262-H276 WeakPolarHBondContact O-CA 3.46Å; D263-H276 PolarHBondContact O-CD2 2.96Å; D263-H276 PolarHBondContact O-NE2 3.25Å; E265-H276 VanDerWaalsContact CD-ND1 3.32Å; E265-H276 HydrophobicContact CG-CB 3.8Å; E265-H276 WeakPolarHBondContact OE1-CB 3.41Å; E265-H276 IonicContact OE1-CG 3.59Å; E265-H276 IonicContact OE1-ND1 2.82Å; E265-H276 PolarHBondContact OE1-ND1 3.05Å; E265-H276 IonicContact OE2-ND1 2.71Å
277V94.2Very high91.8Very high1 Ų139.8 Ų39.81%0.00619%0.194CC..PPolyproline II helixtrans-95.5150.9179.8-73.60000111.9T152 I261 D262 D263 V275 P279 Y357 L361T152-V277 HydrophobicContact CG2-CG2 3.88Å; I261-V277 HydrophobicContact CB-CG1 4.14Å; I261-V277 HydrophobicContact CG2-CG1 4.37Å; D262-V277 VanDerWaalsContact O-CG2 3.3Å; D262-V277 WeakPolarHBondContact O-CG2 3.34Å; D262-V277 PolarHBondContact O-N 3.01Å; D263-V277 WeakPolarHBondContact CA-O 3.42Å; D263-V277 HydrophobicContact CB-CG2 4.1Å; D263-V277 VanDerWaalsContact N-CG2 3.3Å; V275-V277 PolarHBondContact O-N 2.78Å; V277-P279 WeakPolarHBondContact O-CD 3.26Å; V277-Y357 WeakPolarHBondContact CA-OH 3.35Å; V277-Y357 HydrophobicContact CB-CE1 3.69Å; V277-Y357 HydrophobicContact CG1-CE1 3.74Å; V277-L361 HydrophobicContact CG1-CD1 3.76Å; V277-L361 HydrophobicContact CG1-CD2 3.51Å; V277-L361 HydrophobicContact CG1-CG 4.26Å
278R91Very high91.6Very high57 Ų5741.3 Ų41.322%0.21520%0.202CC..PPolyproline II helixtrans-64.5126.3172.1174.6163.472.876.6-7109.9R186 Y280 D355 Y357 E482R186-R278 PolarHBondContact NH1-O 2.89Å; R186-R278 PolarHBondContact NH2-O 2.9Å; R278-Y280 PolarHBondContact O-N 2.96Å; R278-D355 IonicContact CZ-OD2 3.86Å; R278-D355 IonicContact NH1-OD2 3.64Å; R278-D355 PolarHBondContact NH1-OD2 2.84Å; R278-D355 VanDerWaalsContact NH2-CG 3.26Å; R278-D355 IonicContact NH2-OD1 3.09Å; R278-D355 IonicContact NH2-OD2 2.87Å; R278-D355 PolarHBondContact NH2-OD2 2.75Å; R278-Y357 HydrophobicContact CB-CD1 4.25Å; R278-Y357 HydrophobicContact CB-CD2 4.15Å; R278-Y357 HydrophobicContact CB-CE1 4.16Å; R278-Y357 HydrophobicContact CB-CE2 4.11Å; R278-Y357 HydrophobicContact CB-CG 4.23Å; R278-E482 WeakPolarHBondContact CD-OE1 3.25Å; R278-E482 IonicContact CZ-OE1 2.77Å; R278-E482 IonicContact NE-OE1 3.66Å; R278-E482 PolarHBondContact NE-OE1 3.03Å; R278-E482 IonicContact NH2-OE1 3.51Å
279P93.4Very high91.5Very high27 Ų2743.7 Ų43.718%0.17521%0.214CC..PPolyproline II helixtrans-55.3126.9174.1-24.131.2000111.5Q151 D263 V277Q151-P279 HydrophobicContact CB-CB 4.23Å; Q151-P279 CarbonylContact O-C 3.57Å; Q151-P279 WeakPolarHBondContact O-CA 3.37Å; D263-P279 HydrophobicContact CB-CB 4.3Å; D263-P279 HydrophobicContact CB-CG 4.05Å; V277-P279 WeakPolarHBondContact O-CD 3.26Å
280Y95.2Very high91.4Very high2 Ų239.7 Ų39.71%0.00819%0.193CC..PPolyproline II helixtrans-86119.2175.4177.8-123.7000110.1Q151 H155 R184 L185 R186 R278 F282 D353 D355Q151-Y280 PolarHBondContact O-N 2.9Å; H155-Y280 HydrophobicContact CB-CD1 3.69Å; H155-Y280 HydrophobicContact CB-CE1 3.84Å; R184-Y280 HydrophobicContact CG-CE1 4.22Å; R184-Y280 WeakPolarHBondContact CG-OH 3.14Å; L185-Y280 PolarHBondContact O-OH 2.83Å; R186-Y280 HydrophobicContact CB-CD1 3.76Å; R186-Y280 HydrophobicContact CB-CD2 4.21Å; R186-Y280 HydrophobicContact CB-CE1 3.89Å; R186-Y280 HydrophobicContact CB-CE2 4.32Å; R186-Y280 HydrophobicContact CB-CG 3.93Å; R186-Y280 HydrophobicContact CG-CD1 4.15Å; R186-Y280 HydrophobicContact CG-CD2 3.7Å; R186-Y280 HydrophobicContact CG-CE1 4.42Å; R186-Y280 HydrophobicContact CG-CE2 4Å; R186-Y280 HydrophobicContact CG-CG 3.78Å; R278-Y280 PolarHBondContact O-N 2.96Å; Y280-F282 HydrophobicContact CE1-CB 4.16Å; Y280-F282 HydrophobicContact CE2-CB 4.39Å; Y280-D353 PolarHBondContact OH-OD2 3.49Å; Y280-D355 HydrophobicContact CD2-CB 4.25Å; Y280-D355 HydrophobicContact CE2-CB 4.04Å
281R92Very high91.2Very high108 Ų10837.2 Ų37.241%0.40819%0.187SC..  trans-130.682.2-175.2-65.9-170.7-176.611412111.6
282F91.6Very high90.7Very high28 Ų2836.6 Ų36.612%0.12318%0.182CC..SBendtrans-74-52170.4-177.4-104.5000113.1H155 L165 V168 R184 Y280 K284 I350 D353H155-F282 HydrophobicContact CB-CB 4.43Å; H155-F282 PolarHBondContact ND1-N 3.21Å; L165-F282 HydrophobicContact CD2-CE1 3.85Å; L165-F282 HydrophobicContact CD2-CZ 4.04Å; V168-F282 HydrophobicContact CG2-CE1 4.07Å; R184-F282 HydrophobicContact CB-CB 4.16Å; R184-F282 HydrophobicContact CB-CD1 3.65Å; R184-F282 HydrophobicContact CB-CE1 4.16Å; R184-F282 HydrophobicContact CB-CG 3.94Å; R184-F282 HydrophobicContact CG-CB 3.99Å; R184-F282 HydrophobicContact CG-CD1 3.69Å; R184-F282 HydrophobicContact CG-CD2 3.89Å; R184-F282 HydrophobicContact CG-CE1 4.04Å; R184-F282 HydrophobicContact CG-CE2 4.24Å; R184-F282 HydrophobicContact CG-CG 3.59Å; R184-F282 HydrophobicContact CG-CZ 4.29Å; Y280-F282 HydrophobicContact CE1-CB 4.16Å; Y280-F282 HydrophobicContact CE2-CB 4.39Å; F282-K284 PolarHBondContact O-N 3.15Å; F282-I350 HydrophobicContact CE1-CG2 4.11Å; F282-I350 HydrophobicContact CE2-CG2 3.7Å; F282-I350 HydrophobicContact CZ-CG2 3.33Å; F282-D353 HydrophobicContact CD2-CB 4.27Å; F282-D353 HydrophobicContact CE2-CB 4.18Å
283F91Very high90Very high21 Ų2139.4 Ų39.49%0.09220%0.199CC..SBendtrans-79.3100.2176.4-56.2-67.4000111.2H155 T157 V161 V168 H182 R184 H285 T286H155-F283 HydrophobicContact CB-CD2 4.43Å; H155-F283 PolarHBondContact CE1-O 2.91Å; H155-F283 VanDerWaalsContact CE1-O 3.29Å; H155-F283 AromaticContact CG-CD2 3.97Å; H155-F283 AromaticContact ND1-CD2 3.76Å; H155-F283 PolarHBondContact ND1-N 3.45Å; H155-F283 VanDerWaalsContact ND1-N 3.13Å; H155-F283 VanDerWaalsContact O-CE2 3.3Å; H155-F283 WeakPolarHBondContact O-CE2 3.44Å; T157-F283 HydrophobicContact CG2-CB 4.38Å; T157-F283 HydrophobicContact CG2-CD1 3.71Å; T157-F283 HydrophobicContact CG2-CD2 3.67Å; T157-F283 HydrophobicContact CG2-CE1 3.81Å; T157-F283 HydrophobicContact CG2-CE2 3.76Å; T157-F283 HydrophobicContact CG2-CG 3.65Å; T157-F283 HydrophobicContact CG2-CZ 3.84Å; V161-F283 HydrophobicContact CG1-CE1 4.12Å; V161-F283 HydrophobicContact CG2-CD1 4.21Å; V161-F283 HydrophobicContact CG2-CE1 3.73Å; V161-F283 HydrophobicContact CG2-CZ 4.41Å; V168-F283 HydrophobicContact CG1-CZ 4.39Å; H182-F283 HydrophobicContact CB-CZ 4.22Å; H182-F283 VanDerWaalsContact O-CE2 3.27Å; H182-F283 WeakPolarHBondContact O-CE2 3.5Å; R184-F283 HydrophobicContact CB-CE2 4.16Å; R184-F283 HydrophobicContact CB-CZ 4.27Å; F283-H285 PolarHBondContact O-N 3.36Å; F283-T286 PolarHBondContact O-N 2.79Å
284K82.3Confident89.1Confident108 Ų10843.7 Ų43.747%0.4724%0.243SC..THydrogen-bonded Turntrans-54.1-26.9-170.6-70.9175.2177163.50115.8F282 D349 D351F282-K284 PolarHBondContact O-N 3.15Å; K284-D349 PolarHBondContact NZ-O 3.07Å; K284-D351 IonicContact NZ-OD2 2.79Å; K284-D351 PolarHBondContact NZ-OD2 3.29Å
285H82.5Confident88.1Confident150 Ų15046.3 Ų46.369%0.69426%0.256SS*.THydrogen-bonded Turntrans-108.811.4-177-56.5-49.5000113.4F283F283-H285 PolarHBondContact O-N 3.36Å
286T86.2Confident86.8Confident11 Ų1149.3 Ų49.37%0.06728%0.281CS..  trans-117.5125.3-179.5-52.60000109.7H155 T157 F283 I289H155-T286 PolarHBondContact CE1-O 3.27Å; H155-T286 PolarHBondContact NE2-O 3.24Å; T157-T286 WeakPolarHBondContact CB-OG1 3.43Å; T157-T286 PolarHBondContact OG1-OG1 2.91Å; F283-T286 PolarHBondContact O-N 2.79Å; T286-I289 HydrophobicContact CG2-CG2 3.75Å
287G88.4Confident85.1Confident21 Ų2152.9 Ų52.922%0.21630%0.295CS..  trans-85.1-158.5168.600000112.2H155 I289H155-G287 PolarHBondContact NE2-O 3.14Å; G287-I289 PolarHBondContact O-N 2.92Å
288D89.3Confident83Confident32 Ų3257.3 Ų57.317%0.17132%0.322CS..  trans-76110.8173.1171.213.9000109.7Q151 N290 A291Q151-D288 HydrophobicContact CG-CB 4.41Å; Q151-D288 VanDerWaalsContact NE2-N 3.11Å; D288-N290 PolarHBondContact O-N 2.85Å; D288-N290 WeakPolarHBondContact OD1-CA 3.44Å; D288-N290 PolarHBondContact OD1-N 2.84Å; D288-A291 HydrophobicContact CB-CB 4.05Å; D288-A291 VanDerWaalsContact CG-N 3.26Å; D288-A291 WeakPolarHBondContact O-CB 3.3Å; D288-A291 PolarHBondContact O-N 2.99Å; D288-A291 PolarHBondContact OD1-N 3.3Å; D288-A291 WeakPolarHBondContact OD2-CA 3.49Å; D288-A291 WeakPolarHBondContact OD2-CB 3.33Å; D288-A291 PolarHBondContact OD2-N 3.16Å; D288-A291 VanDerWaalsContact OD2-N 3.16Å
289I91.5Very high80.7Confident53 Ų5357.3 Ų57.327%0.27233%0.327SS..THydrogen-bonded Turntrans-70.2-16.5-179.565.9165.7000113.2T156 Y181 T286 G287T156-I289 HydrophobicContact CG2-CD1 3.61Å; T156-I289 WeakPolarHBondContact O-CG2 3.5Å; Y181-I289 HydrophobicContact CD1-CD1 3.93Å; Y181-I289 HydrophobicContact CE1-CD1 3.93Å; T286-I289 HydrophobicContact CG2-CG2 3.75Å; G287-I289 PolarHBondContact O-N 2.92Å
290N89.7Confident77.9Confident21 Ų2166.3 Ų66.311%0.11236%0.357CS..THydrogen-bonded Turntrans-109.810.1-179.5-68.3-49.5000112.5D150 F207 Y212 D288D150-N290 PolarHBondContact OD2-ND2 2.8Å; F207-N290 WeakPolarHBondContact CB-O 3.35Å; Y212-N290 WeakPolarHBondContact CE1-ND2 3.39Å; D288-N290 PolarHBondContact O-N 2.85Å; D288-N290 WeakPolarHBondContact OD1-CA 3.44Å; D288-N290 PolarHBondContact OD1-N 2.84Å
291A85.8Confident75Confident20 Ų2072.3 Ų72.317%0.16539%0.39CS..PPolyproline II helixtrans-56.3137.6177.400000110.8D288 A296D288-A291 HydrophobicContact CB-CB 4.05Å; D288-A291 VanDerWaalsContact CG-N 3.26Å; D288-A291 WeakPolarHBondContact O-CB 3.3Å; D288-A291 PolarHBondContact O-N 2.99Å; D288-A291 PolarHBondContact OD1-N 3.3Å; D288-A291 WeakPolarHBondContact OD2-CA 3.49Å; D288-A291 WeakPolarHBondContact OD2-CB 3.33Å; D288-A291 PolarHBondContact OD2-N 3.16Å; D288-A291 VanDerWaalsContact OD2-N 3.16Å; A291-A296 HydrophobicContact CB-CB 4.05Å
292P82Confident72.3Confident4 Ų469.5 Ų69.53%0.02638%0.384CS..PPolyproline II helixtrans-53.6144.4174.2-2937.5000112.1F207 P240 H241 G294 M295F207-P292 HydrophobicContact CD1-CG 4.23Å; F207-P292 HydrophobicContact CD2-CG 3.45Å; F207-P292 VanDerWaalsContact CD2-CG 3.45Å; F207-P292 HydrophobicContact CE1-CG 4.27Å; F207-P292 HydrophobicContact CE2-CG 3.47Å; F207-P292 VanDerWaalsContact CE2-CG 3.47Å; F207-P292 HydrophobicContact CG-CG 3.85Å; F207-P292 HydrophobicContact CZ-CG 3.9Å; P240-P292 WeakPolarHBondContact O-CB 3.43Å; H241-P292 WeakPolarHBondContact ND1-CB 3.46Å; P292-G294 PolarHBondContact O-N 2.67Å; P292-M295 HydrophobicContact CB-CG 4.36Å; P292-M295 HydrophobicContact CB-SD 3.97Å; P292-M295 HydrophobicContact CG-SD 4.38Å; P292-M295 PolarHBondContact O-N 3.07Å
293P79.9Confident69.2Low106 Ų10675.9 Ų75.969%0.68841%0.414SS*.THydrogen-bonded Turntrans-51.9131.4-178.8-26.734000112.2H241 M295H241-P293 PolarHBondContact CE1-O 2.9Å; P293-M295 VanDerWaalsContact C-N 3.27Å; P293-M295 PolarHBondContact O-N 3.06Å
294G77.4Confident66Low89 Ų8981.9 Ų81.992%0.91844%0.443SS*.THydrogen-bonded Turntrans80-1.9-179.600000115.5P292P292-G294 PolarHBondContact O-N 2.67Å
295M76.1Confident63.3Low62 Ų6284.7 Ų84.731%0.30546%0.458SS..  trans-114.62.8179.5-51.5-176.185.800113.9H241 R264 D266 P292 P293 K297H241-M295 HydrophobicContact CB-SD 4.26Å; R264-M295 VanDerWaalsContact NH2-CB 3.31Å; D266-M295 WeakPolarHBondContact OD2-CE 3.43Å; P292-M295 HydrophobicContact CB-CG 4.36Å; P292-M295 HydrophobicContact CB-SD 3.97Å; P292-M295 HydrophobicContact CG-SD 4.38Å; P292-M295 PolarHBondContact O-N 3.07Å; P293-M295 VanDerWaalsContact C-N 3.27Å; P293-M295 PolarHBondContact O-N 3.06Å; M295-K297 PolarHBondContact O-N 2.99Å
296A68.6Low60.5Low63 Ų6386.6 Ų86.652%0.52146%0.464SS..PPolyproline II helixtrans-62.9119172.200000109.4A291 T298A291-A296 HydrophobicContact CB-CB 4.05Å; A296-T298 PolarHBondContact O-N 3.14Å
297K60Low57.4Low126 Ų12694.7 Ų94.755%0.54850%0.501SS..PPolyproline II helixtrans-68.9117.4170.8-68.4177-177.6168.20107.1M295M295-K297 PolarHBondContact O-N 2.99Å
298T48.5Very low54.4Low94 Ų94102 Ų10258%0.57753%0.527SS*.PPolyproline II helixtrans-72.7129.3169.348.80000107.9A296 R300 N301A296-T298 PolarHBondContact O-N 3.14Å; T298-R300 PolarHBondContact O-N 3.31Å; T298-N301 PolarHBondContact O-N 2.86Å
299D44.1Very low51.4Low58 Ų58106.2 Ų106.231%0.3156%0.556SS.*G310 helixtrans-57.1-9.5178.6-64.7-43.5000113.3N301 T302D299-N301 VanDerWaalsContact C-N 3.29Å; D299-N301 PolarHBondContact O-N 3.12Å; D299-T302 VanDerWaalsContact C-OG1 3.32Å; D299-T302 PolarHBondContact O-N 3.09Å; D299-T302 PolarHBondContact O-OG1 2.93Å
300R34.8Very low48.3Very low216 Ų216111.9 Ų111.982%0.81558%0.581SS**G310 helixtrans-70.4-18.3173.1-67.5-171.2177.2179.60.3114.7T298 T302T298-R300 PolarHBondContact O-N 3.31Å; R300-T302 VanDerWaalsContact C-N 3.29Å
301N32.9Very low45.3Very low128 Ų128115.8 Ų115.868%0.68461%0.608SS**G310 helixtrans-86.7-1.2177-104.11.6000113.8T298 D299T298-N301 PolarHBondContact O-N 2.86Å; D299-N301 VanDerWaalsContact C-N 3.29Å; D299-N301 PolarHBondContact O-N 3.12Å
302T35.5Very low42.5Very low48 Ų48121.7 Ų121.729%0.29464%0.637SS.*THydrogen-bonded Turntrans-97.9-34.4179.320.20000111.5D299 R300 D504D299-T302 VanDerWaalsContact C-OG1 3.32Å; D299-T302 PolarHBondContact O-N 3.09Å; D299-T302 PolarHBondContact O-OG1 2.93Å; R300-T302 VanDerWaalsContact C-N 3.29Å; T302-D504 VanDerWaalsContact CA-CG 3.42Å; T302-D504 WeakPolarHBondContact CA-OD1 3.45Å; T302-D504 WeakPolarHBondContact CA-OD2 3.12Å; T302-D504 VanDerWaalsContact CB-CG 3.45Å; T302-D504 WeakPolarHBondContact CB-OD2 3.14Å; T302-D504 HydrophobicContact CG2-CB 4.14Å; T302-D504 WeakPolarHBondContact CG2-OD2 3.34Å
303E26.1Very low40.1Very low162 Ų162128.3 Ų128.376%0.75768%0.677SS**SBendtrans-92.3-3.8-175.6-69.4-170.8143.900117.4
304H25.5Very low37.7Very low148 Ų148129.5 Ų129.569%0.68568%0.682SS**  trans-143.378.8-173.6-71.6-85.4000115.7
305Q24.5Very low35.3Very low167 Ų167130 Ų13078%0.7868%0.678SS**  trans-132.453155.4-86.3-166.725.100113
306F23.3Very low33.1Very low190 Ų190132.4 Ų132.483%0.83371%0.707SS**  trans-143.681153.5-80.4-75.2000110.3F308F306-F308 HydrophobicContact CD1-CE2 4.29Å
307Q22.1Very low31.3Very low180 Ų180133.2 Ų133.284%0.84172%0.722SS**  trans-136.996.4157.5-145.3163.112.900108.6P309Q307-P309 WeakPolarHBondContact O-CD 3.46Å
308F24.8Very low29.5Very low176 Ų176133.4 Ų133.477%0.77274%0.738SS**PPolyproline II helixtrans-65.6124.7164.3-72.4-83.4000107.7F306 H310F306-F308 HydrophobicContact CD1-CE2 4.29Å; F308-H310 PolarHBondContact O-N 3.4Å
309P25.7Very low28.7Very low120 Ų120134.6 Ų134.678%0.77975%0.749SS**PPolyproline II helixtrans-71.2116.2168.528.1-29.1000107.9Q307Q307-P309 WeakPolarHBondContact O-CD 3.46Å
310H27.3Very low28Very low171 Ų171138.2 Ų138.279%0.79278%0.776SS**PPolyproline II helixtrans-62.9125.4164.4-143.6-62.9000107.3F308 D312F308-H310 PolarHBondContact O-N 3.4Å; H310-D312 PolarHBondContact O-N 3.16Å
311P27.1Very low28Very low103 Ų103133.5 Ų133.567%0.66978%0.777SS**SBendtrans-75.5109.2168.230.6-26.2000105.6
312D27.2Very low27.7Very low145 Ų145132.3 Ų132.378%0.77578%0.784SS**  trans16595.1150.8-80.1-22.5000108.4H310H310-D312 PolarHBondContact O-N 3.16Å
313T31.1Very low27.5Very low143 Ų143135.7 Ų135.788%0.87781%0.81SS**  -177.7120.4128-68.10000109.2
314V28.9Very low27.6Very low131 Ų131136 Ų13679%0.79482%0.817SS**  trans-73.8139.7175.1-91.90000112.1
315A27.2Very low27.7Very low100 Ų100132.1 Ų132.183%0.82682%0.817SS**  trans61115.5146.100000120.4
316A29.3Very low27.9Very low111 Ų111127.7 Ų127.792%0.91782%0.816SS**  149.1133.8105.800000112.3
317G31.3Very low28.1Very low80 Ų80127.7 Ų127.783%0.82582%0.818SS**  trans135.683.5156.300000116.3
318C23.1Very low28.3Very low131 Ų131127.4 Ų127.489%0.88582%0.817SS**  trans-68.7137.1157.2-87.50000110.6
319S30.5Very low28.6Very low118 Ų118130.7 Ų130.783%0.82583%0.825SS**  trans-161.4132.9144.1-76.80000109.8
320P30.7Very low29.1Very low134 Ų134132.8 Ų132.887%0.8783%0.828SS**  trans-88.4132.2176.934.1-27.7000109.5
321S33.4Very low29.4Very low118 Ų118128.8 Ų128.883%0.82583%0.825SS**  trans-126.9122.6164.559.10000109.7
322A27.1Very low29.8Very low102 Ų102132.5 Ų132.584%0.84383%0.831SS**  trans-67.5139.2171.100000109.9
323S32Very low30.8Very low119 Ų119130.9 Ų130.983%0.83282%0.816SS**  trans-145.7100.8146.3500000108.7
324D27.4Very low31.9Very low169 Ų169129.4 Ų129.490%0.90480%0.8SS**  trans-56.8126.6155.4-165.611.2000108.2
325G27.7Very low33.4Very low66 Ų66127.7 Ų127.768%0.6878%0.783SS**  trans164.63.3-17300000117
326G28Very low35.3Very low74 Ų74132 Ų13276%0.76378%0.778SS**SBendtrans-84.3-7.7-17700000116.2
327E29.1Very low36.9Very low190 Ų190129.2 Ų129.289%0.88875%0.745SS**SBendtrans-100.82.6-168.5-70.1-173.9149.100115.3
328Q26.2Very low38.4Very low175 Ų175126.2 Ų126.282%0.81871%0.711SS**SBendtrans-104.95.3-176.5-153.9165.730.900115.6
329W31.1Very low40.3Very low245 Ų245125.6 Ų125.693%0.92870%0.699SS**SBendtrans-96.9-4.2-178.3-111.276.4000115.7
330L36.4Very low41.6Very low164 Ų164124.5 Ų124.586%0.85969%0.687SS**SBendtrans-96.23.6179.6-83158.8000114.5
331A32Very low42.8Very low87 Ų87122 Ų12272%0.71969%0.685SS**SBendtrans-101.713-168.700000116.1
332K37Very low43.8Very low181 Ų181122.7 Ų122.779%0.78768%0.675SS**  trans-13066.6172.3-77.5-173175.6-1740111.3E334K332-E334 PolarHBondContact O-N 3.25Å
333K46.8Very low45.3Very low110 Ų110119.5 Ų119.548%0.47864%0.643SS.*  trans-85.196.1154.2-77.1-168.3174.3-176.20106.2V179 H335V179-K333 HydrophobicContact CB-CD 4.38Å; V179-K333 HydrophobicContact CG1-CD 3.88Å; V179-K333 HydrophobicContact CG2-CB 4.39Å; V179-K333 HydrophobicContact CG2-CD 3.51Å; K333-H335 PolarHBondContact O-N 2.98Å
334E54Low46.3Very low112 Ų112122 Ų12252%0.52365%0.647SS.*  trans-61.1119.9179.1-83.5176.5160.700110K332 R336K332-E334 PolarHBondContact O-N 3.25Å; E334-R336 PolarHBondContact O-N 3.08Å
335H60.7Low47.4Very low96 Ų96118.3 Ų118.344%0.44463%0.63SS.*  trans-76-13.4179.2-59.3-67.4000112.7Q177 K333Q177-H335 PolarHBondContact O-CE1 3.13Å; Q177-H335 PolarHBondContact O-ND1 3.25Å; K333-H335 PolarHBondContact O-N 2.98Å
336R66.6Low48.2Very low190 Ų190119.2 Ų119.272%0.71762%0.624SS**SBendtrans-91.9133.3179.4-178.1-175.1-72.7-172.9-2.8109.2E334 P338E334-R336 PolarHBondContact O-N 3.08Å; R336-P338 WeakPolarHBondContact O-CD 3.42Å
337F64.6Low49.3Very low53 Ų53120.8 Ų120.823%0.23262%0.623CS.*PPolyproline II helixtrans-66.9120.4168.9-154.9-116.3000108.7P163 H170 W180P163-F337 HydrophobicContact CB-CD1 4.38Å; P163-F337 HydrophobicContact CB-CE1 3.62Å; P163-F337 HydrophobicContact CB-CZ 4.03Å; P163-F337 HydrophobicContact CG-CD1 4.4Å; P163-F337 HydrophobicContact CG-CE1 4.01Å; P163-F337 HydrophobicContact CG-CZ 4.37Å; H170-F337 HydrophobicContact CB-CE2 3.69Å; H170-F337 HydrophobicContact CB-CZ 3.64Å; H170-F337 AromaticContact CE1-CZ 3.97Å; H170-F337 AromaticContact CG-CE2 3.8Å; H170-F337 AromaticContact CG-CZ 3.47Å; H170-F337 VanDerWaalsContact CG-CZ 3.47Å; H170-F337 AromaticContact ND1-CE2 3.47Å; H170-F337 WeakPolarHBondContact ND1-CE2 3.11Å; H170-F337 AromaticContact ND1-CZ 3.31Å; H170-F337 VanDerWaalsContact ND1-CZ 3.31Å; H170-F337 WeakPolarHBondContact ND1-CZ 3.48Å; W180-F337 AromaticContact CD2-CD2 3.33Å; W180-F337 HydrophobicContact CD2-CD2 3.33Å; W180-F337 AromaticContact CD2-CE2 3.75Å; W180-F337 HydrophobicContact CD2-CE2 3.75Å; W180-F337 HydrophobicContact CD2-CG 4.4Å; W180-F337 AromaticContact CE2-CD2 3.27Å; W180-F337 AromaticContact CE2-CG 3.93Å; W180-F337 AromaticContact CE3-CD2 3.62Å; W180-F337 HydrophobicContact CE3-CD2 3.62Å; W180-F337 AromaticContact CE3-CE2 3.57Å; W180-F337 HydrophobicContact CE3-CE2 3.57Å; W180-F337 AromaticContact CG-CD2 3.88Å; W180-F337 HydrophobicContact CG-CD2 3.88Å; W180-F337 HydrophobicContact CG-CE2 4.37Å; W180-F337 AromaticContact CH2-CD2 3.8Å; W180-F337 HydrophobicContact CH2-CD2 3.8Å; W180-F337 HydrophobicContact CH2-CE2 4.15Å; W180-F337 HydrophobicContact CH2-CG 4.23Å; W180-F337 HydrophobicContact CZ2-CB 3.72Å; W180-F337 AromaticContact CZ2-CD2 3.54Å; W180-F337 HydrophobicContact CZ2-CD2 3.54Å; W180-F337 HydrophobicContact CZ2-CE2 4.32Å; W180-F337 AromaticContact CZ2-CG 3.86Å; W180-F337 HydrophobicContact CZ2-CG 3.86Å; W180-F337 AromaticContact CZ3-CD2 3.84Å; W180-F337 HydrophobicContact CZ3-CD2 3.84Å; W180-F337 AromaticContact CZ3-CE2 3.78Å; W180-F337 HydrophobicContact CZ3-CE2 3.78Å; W180-F337 AromaticContact NE1-CD2 3.76Å
338P62.9Low50.1Low17 Ų17119.6 Ų119.611%0.1162%0.617CS.*PPolyproline II helixtrans-65.3144.2-175.621.5-27000110.4L160 P163 R336 F343L160-P338 HydrophobicContact CD2-CG 3.9Å; P163-P338 HydrophobicContact CG-CG 4.12Å; P163-P338 VanDerWaalsContact CG-O 3.23Å; P163-P338 WeakPolarHBondContact CG-O 3.38Å; R336-P338 WeakPolarHBondContact O-CD 3.42Å; P338-F343 HydrophobicContact CB-CD2 4.08Å; P338-F343 HydrophobicContact CB-CE2 3.86Å; P338-F343 HydrophobicContact CG-CD2 4.15Å; P338-F343 HydrophobicContact CG-CE2 3.51Å
339D61.5Low51.3Low118 Ų118116.6 Ų116.663%0.63161%0.607SS**PPolyproline II helixtrans-76.2149.4177.4-139.4-21.1000109.7G341 E342D339-G341 PolarHBondContact O-N 2.78Å; D339-E342 HydrophobicContact CB-CG 4.46Å; D339-E342 PolarHBondContact O-N 2.83Å
340V58.3Low52.4Low95 Ų95108.7 Ų108.758%0.57658%0.582SS**G310 helixtrans-56.8-27.8-174.1-178.30000111.9P163P163-V340 HydrophobicContact CB-CG2 4.43Å
341G55.3Low53.4Low80 Ų80106 Ų10683%0.82557%0.568SS**G310 helixtrans-82-5.517800000116.3D339D339-G341 PolarHBondContact O-N 2.78Å
342E56.1Low55.1Low134 Ų134112.2 Ų112.263%0.62657%0.573SS**G310 helixtrans-95.9-2.2-179.4-71.8-177.6156.800113.5D339 D344D339-E342 HydrophobicContact CB-CG 4.46Å; D339-E342 PolarHBondContact O-N 2.83Å; E342-D344 PolarHBondContact O-N 2.65Å
343F57.6Low57.2Low35 Ų35105.7 Ų105.715%0.15455%0.547CS..  trans-92.4101.3-177.8-109.7-103.6000112.6L160 V161 N162 P338 V345L160-F343 HydrophobicContact CB-CZ 3.88Å; L160-F343 HydrophobicContact CD2-CE2 3.58Å; L160-F343 HydrophobicContact CD2-CZ 3.62Å; L160-F343 HydrophobicContact CG-CZ 4.41Å; V161-F343 VanDerWaalsContact C-CZ 3.43Å; N162-F343 HydrophobicContact CB-CD1 4Å; N162-F343 HydrophobicContact CB-CE1 4.26Å; N162-F343 HydrophobicContact CB-CG 4.49Å; P338-F343 HydrophobicContact CB-CD2 4.08Å; P338-F343 HydrophobicContact CB-CE2 3.86Å; P338-F343 HydrophobicContact CG-CD2 4.15Å; P338-F343 HydrophobicContact CG-CE2 3.51Å; F343-V345 HydrophobicContact CD1-CB 3.76Å; F343-V345 HydrophobicContact CD1-CG2 3.44Å; F343-V345 VanDerWaalsContact CD1-CG2 3.44Å; F343-V345 HydrophobicContact CE1-CB 4.13Å; F343-V345 HydrophobicContact CE1-CG2 3.51Å; F343-V345 HydrophobicContact CG-CG2 4.49Å; F343-V345 PolarHBondContact O-N 2.72Å
344D53.3Low59Low172 Ų172106.4 Ų106.492%0.9256%0.556SS**  trans-90.626.8168.3-110-11.5000111.9E342E342-D344 PolarHBondContact O-N 2.65Å
345V50.2Low60.8Low90 Ų90101.8 Ų101.855%0.54554%0.535SS..SBendtrans-85.1120.1173.2-173.70000107.4F343 S347F343-V345 HydrophobicContact CD1-CB 3.76Å; F343-V345 HydrophobicContact CD1-CG2 3.44Å; F343-V345 VanDerWaalsContact CD1-CG2 3.44Å; F343-V345 HydrophobicContact CE1-CB 4.13Å; F343-V345 HydrophobicContact CE1-CG2 3.51Å; F343-V345 HydrophobicContact CG-CG2 4.49Å; F343-V345 PolarHBondContact O-N 2.72Å; V345-S347 PolarHBondContact O-N 3.18Å; V345-S347 VanDerWaalsContact O-N 3.13Å
346P45.1Very low62.3Low85 Ų85100 Ų10055%0.55253%0.529SS*.  trans-51.3124.8179-23.231.6000109.5E348P346-E348 HydrophobicContact CB-CB 4.43Å; P346-E348 PolarHBondContact O-N 3.12Å
347S50.5Low63.6Low107 Ų10791.1 Ų91.175%0.74850%0.495SS*.THydrogen-bonded Turntrans-62.70.9175.356.60000113.5V345V345-S347 PolarHBondContact O-N 3.18Å; V345-S347 VanDerWaalsContact O-N 3.13Å
348E46.8Very low65.1Low165 Ų16588.6 Ų88.677%0.77148%0.484SS*.THydrogen-bonded Turntrans-83.8-13.4-164.9-62.3-170.2159.700114.1P346P346-E348 HydrophobicContact CB-CB 4.43Å; P346-E348 PolarHBondContact O-N 3.12Å
349D49.8Very low66.7Low112 Ų11291.3 Ų91.360%0.59950%0.497SS*.SBendtrans-104-1.6-172.5-81.6-39.8000116.6K284 D351K284-D349 PolarHBondContact NZ-O 3.07Å; D349-D351 PolarHBondContact O-N 3.03Å
350I55.5Low68.2Low79 Ų7987.7 Ų87.741%0.40548%0.475SS..SBendtrans-94.781.3173.5-47.5-175.9000107.8L165 F282L165-I350 HydrophobicContact CD1-CB 4.41Å; L165-I350 HydrophobicContact CD1-CD1 3.62Å; L165-I350 HydrophobicContact CD1-CG2 4.13Å; L165-I350 HydrophobicContact CD2-CD1 3.35Å; L165-I350 HydrophobicContact CD2-CG2 4.48Å; L165-I350 HydrophobicContact CG-CD1 4.12Å; F282-I350 HydrophobicContact CE1-CG2 4.11Å; F282-I350 HydrophobicContact CE2-CG2 3.7Å; F282-I350 HydrophobicContact CZ-CG2 3.33Å
351D56.6Low70Confident107 Ų10783.1 Ų83.157%0.57245%0.448SS*.  trans-47.2149.5173.3-75.2-52.2000110.7K284 D349 D353K284-D351 IonicContact NZ-OD2 2.79Å; K284-D351 PolarHBondContact NZ-OD2 3.29Å; D349-D351 PolarHBondContact O-N 3.03Å; D351-D353 PolarHBondContact O-N 3.02Å; D351-D353 VanDerWaalsContact O-N 3.16Å
352R67Low72.1Confident219 Ų21980.7 Ų80.783%0.82642%0.415SS*.  trans-50.2124.3168.5-161-177.9-81.7-153.2-2.2107.6D354R352-D354 VanDerWaalsContact C-N 3.3Å; R352-D354 WeakPolarHBondContact CB-OD1 3.29Å; R352-D354 WeakPolarHBondContact CG-OD1 3.32Å; R352-D354 VanDerWaalsContact O-CG 3.32Å; R352-D354 PolarHBondContact O-N 3.14Å
353D81.8Confident74Confident44 Ų4479.7 Ų79.724%0.23541%0.41CS..  trans-75.186-176.4-173.86.7000109.4R184 P187 Y280 F282 D351 D355R184-D353 IonicContact CZ-OD2 2.66Å; R184-D353 IonicContact NE-OD2 3.68Å; R184-D353 PolarHBondContact NE-OD2 3.5Å; R184-D353 IonicContact NH2-OD2 2.92Å; R184-D353 PolarHBondContact NH2-OD2 3.02Å; P187-D353 WeakPolarHBondContact CD-OD2 3.48Å; P187-D353 HydrophobicContact CG-CB 4.43Å; P187-D353 VanDerWaalsContact CG-CG 3.5Å; P187-D353 VanDerWaalsContact CG-OD2 3.3Å; P187-D353 WeakPolarHBondContact CG-OD2 3.45Å; Y280-D353 PolarHBondContact OH-OD2 3.49Å; F282-D353 HydrophobicContact CD2-CB 4.27Å; F282-D353 HydrophobicContact CE2-CB 4.18Å; D351-D353 PolarHBondContact O-N 3.02Å; D351-D353 VanDerWaalsContact O-N 3.16Å; D353-D355 PolarHBondContact O-N 3.04Å
354D85.2Confident75.9Confident124 Ų12478.3 Ų78.366%0.66340%0.404SS*.  trans-8511.9-174.3-58.4-18.5000112.4R352 D356R352-D354 VanDerWaalsContact C-N 3.3Å; R352-D354 WeakPolarHBondContact CB-OD1 3.29Å; R352-D354 WeakPolarHBondContact CG-OD1 3.32Å; R352-D354 VanDerWaalsContact O-CG 3.32Å; R352-D354 PolarHBondContact O-N 3.14Å; D354-D356 PolarHBondContact O-N 3.27Å
355D91.1Very high78.1Confident15 Ų1570.1 Ų70.18%0.0836%0.36CS..  trans-68.1110.6179.1-168.6-66.1000111.1R186 P187 R278 Y280 D353 Y357R186-D355 IonicContact CZ-OD1 3.83Å; R186-D355 IonicContact CZ-OD2 3.76Å; R186-D355 IonicContact NE-OD1 2.76Å; R186-D355 PolarHBondContact NE-OD1 3.18Å; R186-D355 IonicContact NE-OD2 3.37Å; R186-D355 IonicContact NH2-OD1 3.15Å; R186-D355 PolarHBondContact NH2-OD1 3.16Å; R186-D355 IonicContact NH2-OD2 3.78Å; R186-D355 PolarHBondContact NH2-OD2 3.36Å; R186-D355 VanDerWaalsContact NH2-OD2 3.15Å; P187-D355 WeakPolarHBondContact CB-O 3.46Å; P187-D355 HydrophobicContact CG-CB 4.14Å; P187-D355 VanDerWaalsContact CG-O 3.24Å; P187-D355 WeakPolarHBondContact CG-O 3.33Å; R278-D355 IonicContact CZ-OD2 3.86Å; R278-D355 IonicContact NH1-OD2 3.64Å; R278-D355 PolarHBondContact NH1-OD2 2.84Å; R278-D355 VanDerWaalsContact NH2-CG 3.26Å; R278-D355 IonicContact NH2-OD1 3.09Å; R278-D355 IonicContact NH2-OD2 2.87Å; R278-D355 PolarHBondContact NH2-OD2 2.75Å; Y280-D355 HydrophobicContact CD2-CB 4.25Å; Y280-D355 HydrophobicContact CE2-CB 4.04Å; D353-D355 PolarHBondContact O-N 3.04Å; D355-Y357 WeakPolarHBondContact OD1-CB 3.41Å; D355-Y357 PolarHBondContact OD1-N 2.76Å
356D91.8Very high80.3Confident58 Ų5868.3 Ų68.331%0.3135%0.345SS..  trans-108.112.6179.362.3-7.9000112.6D354 L358 L359 Y360D354-D356 PolarHBondContact O-N 3.27Å; D356-L358 VanDerWaalsContact C-N 3.33Å; D356-L358 PolarHBondContact O-N 3.33Å; D356-L359 HydrophobicContact CB-CD1 4.29Å; D356-L359 VanDerWaalsContact O-CB 3.32Å; D356-L359 WeakPolarHBondContact O-CB 3.34Å; D356-L359 PolarHBondContact O-N 3.25Å; D356-L359 VanDerWaalsContact O-N 3.08Å; D356-Y360 HydrophobicContact CB-CE2 4.47Å; D356-Y360 VanDerWaalsContact CG-CE2 3.5Å; D356-Y360 VanDerWaalsContact OD1-CE2 3.26Å; D356-Y360 WeakPolarHBondContact OD1-CE2 3.32Å; D356-Y360 PolarHBondContact OD2-OH 3.38Å
357Y94.5Very high82.8Confident5 Ų567 Ų672%0.0234%0.338CS..Hα-helixtrans-65.2-33.5-164.3-179.5-106.2000113.9R186 V277 R278 D355 L359 Y360 L361 E482R186-Y357 VanDerWaalsContact NH2-CB 3.26Å; R186-Y357 VanDerWaalsContact NH2-CD1 3.29Å; V277-Y357 WeakPolarHBondContact CA-OH 3.35Å; V277-Y357 HydrophobicContact CB-CE1 3.69Å; V277-Y357 HydrophobicContact CG1-CE1 3.74Å; R278-Y357 HydrophobicContact CB-CD1 4.25Å; R278-Y357 HydrophobicContact CB-CD2 4.15Å; R278-Y357 HydrophobicContact CB-CE1 4.16Å; R278-Y357 HydrophobicContact CB-CE2 4.11Å; R278-Y357 HydrophobicContact CB-CG 4.23Å; D355-Y357 WeakPolarHBondContact OD1-CB 3.41Å; D355-Y357 PolarHBondContact OD1-N 2.76Å; Y357-L359 PolarHBondContact O-N 2.72Å; Y357-Y360 HydrophobicContact CD2-CD2 4.35Å; Y357-Y360 PolarHBondContact O-N 3.21Å; Y357-L361 HydrophobicContact CE1-CB 4.33Å; Y357-L361 PolarHBondContact O-N 2.9Å; Y357-E482 HydrophobicContact CD2-CG 3.65Å; Y357-E482 VanDerWaalsContact CD2-OE1 3.26Å; Y357-E482 WeakPolarHBondContact CD2-OE1 3.34Å; Y357-E482 HydrophobicContact CE2-CG 3.39Å
358L96.9Very high85.1Confident0 Ų062 Ų620%030%0.303CS..Hα-helixtrans-63.9-22.7179-66.6-171.2000113L153 R186 P187 H188 T189 F192 D356 L361 E362L153-L358 HydrophobicContact CD2-CD1 4.06Å; L153-L358 HydrophobicContact CD2-CD2 4.03Å; R186-L358 HydrophobicContact CB-CD1 4.1Å; R186-L358 HydrophobicContact CG-CD1 4.05Å; R186-L358 HydrophobicContact CG-CG 4.03Å; P187-L358 WeakPolarHBondContact O-CD1 3.17Å; H188-L358 HydrophobicContact CB-CB 4.46Å; T189-L358 VanDerWaalsContact OG1-CD1 3.3Å; T189-L358 WeakPolarHBondContact OG1-CD1 3.44Å; F192-L358 HydrophobicContact CB-CB 4.37Å; F192-L358 HydrophobicContact CB-CD1 4.27Å; F192-L358 HydrophobicContact CD2-CB 4.26Å; F192-L358 HydrophobicContact CG-CB 4.37Å; F192-L358 HydrophobicContact CG-CD1 4.34Å; D356-L358 VanDerWaalsContact C-N 3.33Å; D356-L358 PolarHBondContact O-N 3.33Å; L358-L361 HydrophobicContact CD2-CD2 3.86Å; L358-E362 WeakPolarHBondContact O-CB 3.48Å; L358-E362 PolarHBondContact O-N 3.39Å
359L95.2Very high87.5Confident73 Ų7354.4 Ų54.438%0.38227%0.268SS..Hα-helixtrans-66.6-39.8172.6-57.3-179.9000111H188 D356 Y357 E363H188-L359 HydrophobicContact CB-CD2 4.2Å; D356-L359 HydrophobicContact CB-CD1 4.29Å; D356-L359 VanDerWaalsContact O-CB 3.32Å; D356-L359 WeakPolarHBondContact O-CB 3.34Å; D356-L359 PolarHBondContact O-N 3.25Å; D356-L359 VanDerWaalsContact O-N 3.08Å; Y357-L359 PolarHBondContact O-N 2.72Å; L359-E363 PolarHBondContact O-N 3.49Å
360Y93.3Very high89.8Confident42 Ų4253.7 Ų53.717%0.16526%0.264CS..Hα-helixtrans-73-42.1176.2-50.6-51.6000111.3D356 Y357 E362 E363 I364 R483D356-Y360 HydrophobicContact CB-CE2 4.47Å; D356-Y360 VanDerWaalsContact CG-CE2 3.5Å; D356-Y360 VanDerWaalsContact OD1-CE2 3.26Å; D356-Y360 WeakPolarHBondContact OD1-CE2 3.32Å; D356-Y360 PolarHBondContact OD2-OH 3.38Å; Y357-Y360 HydrophobicContact CD2-CD2 4.35Å; Y357-Y360 PolarHBondContact O-N 3.21Å; Y360-E362 VanDerWaalsContact C-N 3.27Å; Y360-E362 PolarHBondContact O-N 3.12Å; Y360-E363 PolarHBondContact O-N 3.14Å; Y360-E363 VanDerWaalsContact O-N 3.14Å; Y360-I364 VanDerWaalsContact O-CG1 3.3Å; Y360-I364 WeakPolarHBondContact O-CG1 3.45Å; Y360-I364 PolarHBondContact O-N 2.95Å; Y360-R483 HydrophobicContact CD1-CG 4.03Å; Y360-R483 HydrophobicContact CD2-CG 4.29Å; Y360-R483 HydrophobicContact CE1-CG 4.45Å; Y360-R483 VanDerWaalsContact CE1-NH1 3.27Å; Y360-R483 HydrophobicContact CG-CG 3.98Å; Y360-R483 PolarHBondContact OH-NH2 3.36Å
361L97.3Very high91.8Very high0 Ų051.2 Ų51.20%026%0.255CS..Hα-helixtrans-59.7-39.7177.4-174.660.7000112F192 I261 V275 V277 Y357 L358 E363 I364 L365F192-L361 HydrophobicContact CE2-CB 4.24Å; F192-L361 HydrophobicContact CE2-CD2 4.01Å; F192-L361 HydrophobicContact CE2-CG 3.98Å; F192-L361 HydrophobicContact CZ-CD2 3.82Å; F192-L361 HydrophobicContact CZ-CG 4.16Å; I261-L361 HydrophobicContact CD1-CD2 4.08Å; I261-L361 HydrophobicContact CG2-CD1 4.07Å; I261-L361 HydrophobicContact CG2-CD2 4.3Å; V275-L361 HydrophobicContact CG1-CD1 3.84Å; V277-L361 HydrophobicContact CG1-CD1 3.76Å; V277-L361 HydrophobicContact CG1-CD2 3.51Å; V277-L361 HydrophobicContact CG1-CG 4.26Å; Y357-L361 HydrophobicContact CE1-CB 4.33Å; Y357-L361 PolarHBondContact O-N 2.9Å; L358-L361 HydrophobicContact CD2-CD2 3.86Å; L361-E363 VanDerWaalsContact C-N 3.34Å; L361-E363 PolarHBondContact O-N 3.45Å; L361-I364 WeakPolarHBondContact O-CB 3.34Å; L361-I364 PolarHBondContact O-N 3.46Å; L361-L365 HydrophobicContact CD1-CD1 4.49Å; L361-L365 HydrophobicContact CD1-CG 4.35Å; L361-L365 HydrophobicContact CG-CD1 4.16Å; L361-L365 HydrophobicContact CG-CG 4.43Å; L361-L365 WeakPolarHBondContact O-CG 3.37Å; L361-L365 PolarHBondContact O-N 2.9Å
362E98.2Very high93.7Very high29 Ų2946.1 Ų46.114%0.13623%0.228CC..Hα-helixtrans-56.1-46.9174168.8157.8175.900112F192 S195 M196 L358 Y360 L365 K366F192-E362 HydrophobicContact CD2-CB 3.99Å; F192-E362 HydrophobicContact CE2-CB 4.27Å; S195-E362 WeakPolarHBondContact CB-OE1 3.44Å; S195-E362 PolarHBondContact OG-OE1 3.41Å; M196-E362 HydrophobicContact CE-CB 4.29Å; M196-E362 HydrophobicContact CE-CG 3.61Å; L358-E362 WeakPolarHBondContact O-CB 3.48Å; L358-E362 PolarHBondContact O-N 3.39Å; Y360-E362 VanDerWaalsContact C-N 3.27Å; Y360-E362 PolarHBondContact O-N 3.12Å; E362-L365 PolarHBondContact O-N 3.18Å; E362-K366 HydrophobicContact CG-CD 4.22Å; E362-K366 WeakPolarHBondContact O-CG 3.46Å; E362-K366 PolarHBondContact O-N 2.79Å; E362-K366 WeakPolarHBondContact OE1-CE 3.35Å; E362-K366 IonicContact OE1-NZ 3.96Å; E362-K366 PolarHBondContact OE1-NZ 3.46Å
363E96.4Very high95.1Very high113 Ų11335.9 Ų35.953%0.52819%0.189SC..Hα-helixtrans-67.6-36.3178.7-65.4-56.9118.200112.3L359 Y360 L361 K366 S367L359-E363 PolarHBondContact O-N 3.49Å; Y360-E363 PolarHBondContact O-N 3.14Å; Y360-E363 VanDerWaalsContact O-N 3.14Å; L361-E363 VanDerWaalsContact C-N 3.34Å; L361-E363 PolarHBondContact O-N 3.45Å; E363-K366 PolarHBondContact O-N 3.06Å; E363-K366 IonicContact OE1-NZ 3.56Å; E363-K366 PolarHBondContact OE1-NZ 3.43Å; E363-S367 WeakPolarHBondContact O-CB 3.43Å; E363-S367 PolarHBondContact O-N 2.53Å
364I97.5Very high95.7Very high5 Ų537.1 Ų37.13%0.02620%0.201CC..Hα-helixtrans-59.8-50.7173.8-66.4170.4000110.5V275 Y360 L361 S367 I368 W484V275-I364 HydrophobicContact CG1-CG2 4.04Å; Y360-I364 VanDerWaalsContact O-CG1 3.3Å; Y360-I364 WeakPolarHBondContact O-CG1 3.45Å; Y360-I364 PolarHBondContact O-N 2.95Å; L361-I364 WeakPolarHBondContact O-CB 3.34Å; L361-I364 PolarHBondContact O-N 3.46Å; I364-S367 WeakPolarHBondContact O-CB 3.39Å; I364-S367 PolarHBondContact O-N 3.24Å; I364-I368 HydrophobicContact CG2-CD1 3.91Å; I364-I368 WeakPolarHBondContact O-CG1 3.35Å; I364-I368 PolarHBondContact O-N 3.4Å; I364-W484 HydrophobicContact CD1-CB 4.04Å; I364-W484 HydrophobicContact CD1-CD2 4.28Å; I364-W484 HydrophobicContact CD1-CG 3.75Å; I364-W484 HydrophobicContact CG1-CB 3.89Å; I364-W484 HydrophobicContact CG1-CD2 4.37Å; I364-W484 HydrophobicContact CG1-CG 3.97Å; I364-W484 HydrophobicContact CG2-CD2 3.79Å; I364-W484 HydrophobicContact CG2-CE3 3.59Å; I364-W484 HydrophobicContact CG2-CG 4.28Å; I364-W484 HydrophobicContact CG2-CH2 4.46Å; I364-W484 HydrophobicContact CG2-CZ3 3.95Å
365L98.6Very high96.1Very high0 Ų033 Ų330%018%0.184CC..Hα-helixtrans-65.3-41.4-179-67.4175.6000111.3L145 F192 M196 Y200 I261 L361 E362 S367 I368 H369L145-L365 HydrophobicContact CD1-CD1 4.23Å; L145-L365 HydrophobicContact CD1-CD2 3.94Å; L145-L365 HydrophobicContact CD2-CD1 3.87Å; F192-L365 HydrophobicContact CE2-CD1 3.96Å; F192-L365 HydrophobicContact CZ-CD1 3.71Å; M196-L365 HydrophobicContact CG-CD1 4.16Å; M196-L365 HydrophobicContact SD-CB 3.7Å; M196-L365 HydrophobicContact SD-CD1 3.72Å; M196-L365 HydrophobicContact SD-CG 4.37Å; Y200-L365 HydrophobicContact CE2-CB 4.07Å; Y200-L365 PolarHBondContact OH-O 2.86Å; I261-L365 HydrophobicContact CG2-CD1 4.38Å; I261-L365 HydrophobicContact CG2-CD2 4.14Å; L361-L365 HydrophobicContact CD1-CD1 4.49Å; L361-L365 HydrophobicContact CD1-CG 4.35Å; L361-L365 HydrophobicContact CG-CD1 4.16Å; L361-L365 HydrophobicContact CG-CG 4.43Å; L361-L365 WeakPolarHBondContact O-CG 3.37Å; L361-L365 PolarHBondContact O-N 2.9Å; E362-L365 PolarHBondContact O-N 3.18Å; L365-S367 VanDerWaalsContact C-N 3.31Å; L365-S367 PolarHBondContact O-N 3.23Å; L365-I368 HydrophobicContact CD2-CD1 4.45Å; L365-I368 PolarHBondContact O-N 3.39Å; L365-H369 WeakPolarHBondContact O-CB 3.19Å; L365-H369 PolarHBondContact O-N 3.08Å
366K98.2Very high96.2Very high52 Ų5234.8 Ų34.823%0.22619%0.193CC..Hα-helixtrans-58.2-42.7171.5-74.3173.2-173.1162.20112.1M196 L199 E362 E363 H369 N370M196-K366 HydrophobicContact CE-CG 4.26Å; L199-K366 HydrophobicContact CD1-CG 3.76Å; E362-K366 HydrophobicContact CG-CD 4.22Å; E362-K366 WeakPolarHBondContact O-CG 3.46Å; E362-K366 PolarHBondContact O-N 2.79Å; E362-K366 WeakPolarHBondContact OE1-CE 3.35Å; E362-K366 IonicContact OE1-NZ 3.96Å; E362-K366 PolarHBondContact OE1-NZ 3.46Å; E363-K366 PolarHBondContact O-N 3.06Å; E363-K366 IonicContact OE1-NZ 3.56Å; E363-K366 PolarHBondContact OE1-NZ 3.43Å; K366-H369 PolarHBondContact O-N 3.35Å; K366-N370 WeakPolarHBondContact O-CB 3.3Å; K366-N370 PolarHBondContact O-N 2.63Å; K366-N370 PolarHBondContact O-ND2 2.95Å
367S97Very high96.2Very high59 Ų5936.7 Ų36.741%0.41320%0.201SC..Hα-helixtrans-62.5-42.3177.2-176.20000111.9E363 I364 L365 A371E363-S367 WeakPolarHBondContact O-CB 3.43Å; E363-S367 PolarHBondContact O-N 2.53Å; I364-S367 WeakPolarHBondContact O-CB 3.39Å; I364-S367 PolarHBondContact O-N 3.24Å; L365-S367 VanDerWaalsContact C-N 3.31Å; L365-S367 PolarHBondContact O-N 3.23Å; S367-A371 VanDerWaalsContact O-CB 3.27Å; S367-A371 WeakPolarHBondContact O-CB 3.43Å; S367-A371 PolarHBondContact O-N 2.84Å
368I98.2Very high96Very high0 Ų040.4 Ų40.40%023%0.232CC..Hα-helixtrans-63.4-47.6176.4-68.8164.6000110.6V275 I364 L365 A371 F372 L388 I392 V395 W484V275-I368 HydrophobicContact CG2-CD1 3.6Å; I364-I368 HydrophobicContact CG2-CD1 3.91Å; I364-I368 WeakPolarHBondContact O-CG1 3.35Å; I364-I368 PolarHBondContact O-N 3.4Å; L365-I368 HydrophobicContact CD2-CD1 4.45Å; L365-I368 PolarHBondContact O-N 3.39Å; I368-A371 PolarHBondContact O-N 2.97Å; I368-F372 PolarHBondContact O-N 3.06Å; I368-L388 HydrophobicContact CG2-CD2 3.71Å; I368-I392 HydrophobicContact CD1-CD1 4.26Å; I368-I392 HydrophobicContact CD1-CG1 4.03Å; I368-I392 HydrophobicContact CG1-CG1 4.21Å; I368-I392 HydrophobicContact CG2-CD1 4.11Å; I368-I392 HydrophobicContact CG2-CG1 3.78Å; I368-V395 HydrophobicContact CG1-CG1 4.46Å; I368-W484 HydrophobicContact CD1-CH2 4.41Å; I368-W484 HydrophobicContact CD1-CZ3 3.96Å; I368-W484 HydrophobicContact CG1-CZ3 4.34Å
369H98.5Very high95.1Very high7 Ų741.5 Ų41.53%0.03224%0.243CC..Hα-helixtrans-58-50177.6-179.3-79.2000111.9R141 L143 L199 Y200 L365 K366 A371 F372 Y373R141-H369 PolarHBondContact O-CE1 2.96Å; R141-H369 PolarHBondContact O-NE2 3.02Å; L143-H369 HydrophobicContact CD1-CB 4.32Å; L199-H369 PolarHBondContact O-CD2 2.87Å; L199-H369 VanDerWaalsContact O-CD2 3.25Å; L199-H369 PolarHBondContact O-NE2 3.2Å; Y200-H369 HydrophobicContact CE2-CB 4.17Å; L365-H369 WeakPolarHBondContact O-CB 3.19Å; L365-H369 PolarHBondContact O-N 3.08Å; K366-H369 PolarHBondContact O-N 3.35Å; H369-A371 VanDerWaalsContact C-N 3.33Å; H369-A371 PolarHBondContact O-N 2.96Å; H369-F372 PolarHBondContact O-N 3.36Å; H369-Y373 AromaticContact CD2-CE2 3.96Å; H369-Y373 AromaticContact CE1-CD2 3.41Å; H369-Y373 VanDerWaalsContact CE1-CD2 3.41Å; H369-Y373 WeakPolarHBondContact CE1-CD2 3.33Å; H369-Y373 AromaticContact CE1-CE2 3.63Å; H369-Y373 AromaticContact ND1-CD2 3.8Å; H369-Y373 AromaticContact NE2-CD2 3.66Å; H369-Y373 AromaticContact NE2-CE2 3.38Å; H369-Y373 WeakPolarHBondContact NE2-CE2 3.38Å; H369-Y373 PolarHBondContact O-N 2.98Å; H369-Y373 VanDerWaalsContact O-N 3.12Å
370N97.7Very high93.5Very high97 Ų9743 Ų4352%0.51926%0.26SS..Hα-helixtrans-60.4-42.9177.9-73.5-26.6000111.7K366 F372 S374K366-N370 WeakPolarHBondContact O-CB 3.3Å; K366-N370 PolarHBondContact O-N 2.63Å; K366-N370 PolarHBondContact O-ND2 2.95Å; N370-F372 VanDerWaalsContact C-N 3.33Å; N370-F372 PolarHBondContact O-N 3.17Å; N370-S374 VanDerWaalsContact O-CB 3.24Å; N370-S374 WeakPolarHBondContact O-CB 3.24Å; N370-S374 PolarHBondContact O-N 2.81Å; N370-S374 PolarHBondContact O-OG 3.04Å
371A96.2Very high91.8Very high27 Ų2746.9 Ų46.922%0.22329%0.293CS..Hα-helixtrans-63.1-38.8177.800000111.9S367 I368 H369 A375 L391 V395S367-A371 VanDerWaalsContact O-CB 3.27Å; S367-A371 WeakPolarHBondContact O-CB 3.43Å; S367-A371 PolarHBondContact O-N 2.84Å; I368-A371 PolarHBondContact O-N 2.97Å; H369-A371 VanDerWaalsContact C-N 3.33Å; H369-A371 PolarHBondContact O-N 2.96Å; A371-A375 WeakPolarHBondContact O-CB 3.49Å; A371-A375 PolarHBondContact O-N 2.77Å; A371-L391 HydrophobicContact CB-CD1 4.23Å; A371-L391 HydrophobicContact CB-CD2 3.9Å; A371-L391 HydrophobicContact CB-CG 4.25Å; A371-V395 HydrophobicContact CB-CG2 3.93Å
372F97.1Very high90Very high0 Ų050.3 Ų50.30%032%0.317CS..Hα-helixtrans-64.2-52179178.6-86.4000111L138 L143 M257 I368 H369 N370 S374 A375 L376 R385 P386 L388 L391L138-F372 HydrophobicContact CD2-CE1 4.14Å; L138-F372 HydrophobicContact CD2-CZ 4.48Å; L143-F372 HydrophobicContact CD1-CB 4.11Å; L143-F372 HydrophobicContact CD1-CD1 4.5Å; L143-F372 HydrophobicContact CD1-CG 4.22Å; L143-F372 HydrophobicContact CD2-CD1 3.73Å; L143-F372 HydrophobicContact CD2-CD2 4.1Å; L143-F372 HydrophobicContact CD2-CE1 3.75Å; L143-F372 HydrophobicContact CD2-CE2 4.09Å; L143-F372 HydrophobicContact CD2-CG 3.92Å; L143-F372 HydrophobicContact CD2-CZ 3.94Å; L143-F372 HydrophobicContact CG-CD1 4.47Å; M257-F372 HydrophobicContact CG-CE2 4.2Å; M257-F372 HydrophobicContact CG-CZ 3.82Å; M257-F372 HydrophobicContact SD-CZ 4.44Å; I368-F372 PolarHBondContact O-N 3.06Å; H369-F372 PolarHBondContact O-N 3.36Å; N370-F372 VanDerWaalsContact C-N 3.33Å; N370-F372 PolarHBondContact O-N 3.17Å; F372-S374 PolarHBondContact O-N 3.08Å; F372-A375 PolarHBondContact O-N 3.15Å; F372-L376 HydrophobicContact CE1-CD2 4.37Å; F372-L376 WeakPolarHBondContact O-CB 3.43Å; F372-L376 PolarHBondContact O-N 3.27Å; F372-R385 HydrophobicContact CZ-CG 4.35Å; F372-P386 HydrophobicContact CD2-CB 4.16Å; F372-P386 HydrophobicContact CE2-CB 4.15Å; F372-P386 VanDerWaalsContact CE2-O 3.23Å; F372-P386 WeakPolarHBondContact CE2-O 3.41Å; F372-L388 HydrophobicContact CB-CD2 4.14Å; F372-L388 HydrophobicContact CD2-CD2 3.74Å; F372-L388 HydrophobicContact CD2-CG 4.06Å; F372-L388 HydrophobicContact CE2-CG 4.5Å; F372-L388 HydrophobicContact CG-CD2 4.31Å; F372-L391 HydrophobicContact CB-CD2 3.72Å
373Y96.6Very high88.4Confident3 Ų354.5 Ų54.51%0.01236%0.357CS..Hα-helixtrans-69.9-33.8-178-82.1-76.2000112.6R141 K142 L143 H369 A375 L376 E377R141-Y373 VanDerWaalsContact C-CZ 3.43Å; R141-Y373 WeakPolarHBondContact CA-OH 3.49Å; R141-Y373 HydrophobicContact CB-CE1 4.05Å; R141-Y373 HydrophobicContact CB-CE2 4.31Å; R141-Y373 HydrophobicContact CG-CD1 4.4Å; R141-Y373 HydrophobicContact CG-CE1 4.06Å; R141-Y373 VanDerWaalsContact NH2-CB 3.32Å; K142-Y373 PolarHBondContact N-OH 2.89Å; K142-Y373 VanDerWaalsContact N-OH 3.07Å; K142-Y373 PolarHBondContact O-OH 2.74Å; L143-Y373 HydrophobicContact CG-CE2 4.29Å; H369-Y373 AromaticContact CD2-CE2 3.96Å; H369-Y373 AromaticContact CE1-CD2 3.41Å; H369-Y373 VanDerWaalsContact CE1-CD2 3.41Å; H369-Y373 WeakPolarHBondContact CE1-CD2 3.33Å; H369-Y373 AromaticContact CE1-CE2 3.63Å; H369-Y373 AromaticContact ND1-CD2 3.8Å; H369-Y373 AromaticContact NE2-CD2 3.66Å; H369-Y373 AromaticContact NE2-CE2 3.38Å; H369-Y373 WeakPolarHBondContact NE2-CE2 3.38Å; H369-Y373 PolarHBondContact O-N 2.98Å; H369-Y373 VanDerWaalsContact O-N 3.12Å; Y373-A375 VanDerWaalsContact C-N 3.34Å; Y373-A375 PolarHBondContact O-N 3.17Å; Y373-L376 HydrophobicContact CD1-CD2 4.13Å; Y373-L376 HydrophobicContact CE1-CD2 4.16Å; Y373-L376 PolarHBondContact O-N 3.36Å; Y373-E377 WeakPolarHBondContact O-CB 3.49Å; Y373-E377 VanDerWaalsContact O-CG 3.25Å; Y373-E377 WeakPolarHBondContact O-CG 3.45Å; Y373-E377 PolarHBondContact O-N 2.85Å
374S95Very high87.4Confident71 Ų7157 Ų5750%0.49737%0.369SS..Hα-helixtrans-62.1-42.8172-58.90000111.4N370 F372 E377 A378N370-S374 VanDerWaalsContact O-CB 3.24Å; N370-S374 WeakPolarHBondContact O-CB 3.24Å; N370-S374 PolarHBondContact O-N 2.81Å; N370-S374 PolarHBondContact O-OG 3.04Å; F372-S374 PolarHBondContact O-N 3.08Å; S374-E377 PolarHBondContact O-N 2.84Å; S374-A378 WeakPolarHBondContact O-CB 3.25Å; S374-A378 PolarHBondContact O-N 2.91Å
375A93.5Very high86.8Confident36 Ų3661 Ų6130%0.29838%0.383SS..Hα-helixtrans-66.4-38.3176.400000112A371 F372 Y373 G379 P386 L391A371-A375 WeakPolarHBondContact O-CB 3.49Å; A371-A375 PolarHBondContact O-N 2.77Å; F372-A375 PolarHBondContact O-N 3.15Å; Y373-A375 VanDerWaalsContact C-N 3.34Å; Y373-A375 PolarHBondContact O-N 3.17Å; A375-G379 WeakPolarHBondContact O-CA 3.27Å; A375-G379 PolarHBondContact O-N 2.76Å; A375-P386 HydrophobicContact CB-CB 4.09Å; A375-P386 HydrophobicContact CB-CG 3.75Å; A375-L391 HydrophobicContact CB-CD1 4.5Å
376L92.7Very high86.5Confident53 Ų5362.1 Ų62.128%0.27739%0.391SS..Hα-helixtrans-64.1-44.4176.8-173.868.9000111.3L138 F372 Y373 G379 S380 R385 P386L138-L376 HydrophobicContact CD2-CD2 3.94Å; F372-L376 HydrophobicContact CE1-CD2 4.37Å; F372-L376 WeakPolarHBondContact O-CB 3.43Å; F372-L376 PolarHBondContact O-N 3.27Å; Y373-L376 HydrophobicContact CD1-CD2 4.13Å; Y373-L376 HydrophobicContact CE1-CD2 4.16Å; Y373-L376 PolarHBondContact O-N 3.36Å; L376-G379 CarbonylContact O-C 3.33Å; L376-G379 PolarHBondContact O-N 2.77Å; L376-S380 PolarHBondContact O-N 3.04Å; L376-R385 HydrophobicContact CD1-CG 4.33Å; L376-P386 HydrophobicContact CB-CG 4.14Å; L376-P386 HydrophobicContact CD1-CG 4.43Å
377E91.9Very high86.3Confident99 Ų9960.6 Ų60.646%0.46339%0.387SS..Hα-helixtrans-66.6-47.2179.2-72.8163.3-163.700111.7R141 Y373 S374 G379 S380R141-E377 IonicContact CZ-OE1 2.74Å; R141-E377 IonicContact NH1-OE1 2.77Å; R141-E377 PolarHBondContact NH1-OE1 2.75Å; R141-E377 IonicContact NH2-OE1 3.67Å; R141-E377 PolarHBondContact NH2-OE1 3.11Å; Y373-E377 WeakPolarHBondContact O-CB 3.49Å; Y373-E377 VanDerWaalsContact O-CG 3.25Å; Y373-E377 WeakPolarHBondContact O-CG 3.45Å; Y373-E377 PolarHBondContact O-N 2.85Å; S374-E377 PolarHBondContact O-N 2.84Å; E377-G379 PolarHBondContact O-N 2.8Å; E377-S380 WeakPolarHBondContact O-CB 3.44Å; E377-S380 PolarHBondContact O-N 3.32Å; E377-S380 PolarHBondContact O-OG 2.86Å
378A89.7Confident86.3Confident82 Ų8257.8 Ų57.868%0.67837%0.367SS*.Hα-helixtrans-61.9-34.7174.500000112.1S374 S380S374-A378 WeakPolarHBondContact O-CB 3.25Å; S374-A378 PolarHBondContact O-N 2.91Å; A378-S380 VanDerWaalsContact C-N 3.29Å; A378-S380 PolarHBondContact O-N 2.83Å
379G77.9Confident86.1Confident23 Ų2358.9 Ų58.924%0.23737%0.374CS..THydrogen-bonded Turntrans-806.4179.100000115A375 L376 E377 S381 S382A375-G379 WeakPolarHBondContact O-CA 3.27Å; A375-G379 PolarHBondContact O-N 2.76Å; L376-G379 CarbonylContact O-C 3.33Å; L376-G379 PolarHBondContact O-N 2.77Å; E377-G379 PolarHBondContact O-N 2.8Å; G379-S381 PolarHBondContact O-N 3.09Å; G379-S382 WeakPolarHBondContact O-CA 3.32Å; G379-S382 WeakPolarHBondContact O-CB 3.49Å; G379-S382 PolarHBondContact O-N 2.89Å; G379-S382 VanDerWaalsContact O-O 3.06Å
380S61.5Low85.9Confident106 Ų10662.2 Ų62.274%0.74140%0.399SS*.THydrogen-bonded Turntrans-58.1-6.7-178.7-60.50000115L376 E377 A378L376-S380 PolarHBondContact O-N 3.04Å; E377-S380 WeakPolarHBondContact O-CB 3.44Å; E377-S380 PolarHBondContact O-N 3.32Å; E377-S380 PolarHBondContact O-OG 2.86Å; A378-S380 VanDerWaalsContact C-N 3.29Å; A378-S380 PolarHBondContact O-N 2.83Å
381S58.1Low85.9Confident122 Ų12258.8 Ų58.885%0.85338%0.38SS*.THydrogen-bonded Turntrans-102.8-14171.746.70000114.8G379G379-S381 PolarHBondContact O-N 3.09Å
382S59.8Low85.9Confident72 Ų7257.5 Ų57.550%0.50337%0.369SS..SBendtrans-92.6133.8172.3172.70000109.9G379 E384G379-S382 WeakPolarHBondContact O-CA 3.32Å; G379-S382 WeakPolarHBondContact O-CB 3.49Å; G379-S382 PolarHBondContact O-N 2.89Å; G379-S382 VanDerWaalsContact O-O 3.06Å; S382-E384 PolarHBondContact O-N 3.1Å; S382-E384 PolarHBondContact OG-N 3.04Å
383A63.4Low85.8Confident118 Ų11859 Ų5998%0.97538%0.379SS*.SBendtrans-72.4-8.9177.600000113.5
384E75.6Confident85.8Confident164 Ų16462.4 Ų62.477%0.76640%0.403SS*.SBendtrans-105.3124.7-171.9-159.8167.4-16000111.3S382S382-E384 PolarHBondContact O-N 3.1Å; S382-E384 PolarHBondContact OG-N 3.04Å
385R85.3Confident85.8Confident89 Ų8959.9 Ų59.934%0.33639%0.385SS..  trans-68.2143.6-179.5-173.5-173.6-62.7127.3-11.6110.6E134 F372 L376E134-R385 VanDerWaalsContact CD-NH1 3.32Å; E134-R385 IonicContact OE1-CZ 3.58Å; E134-R385 IonicContact OE1-NE 3.84Å; E134-R385 PolarHBondContact OE1-NE 3.1Å; E134-R385 IonicContact OE1-NH1 2.62Å; E134-R385 PolarHBondContact OE1-NH1 2.77Å; E134-R385 IonicContact OE1-NH2 2.66Å; E134-R385 PolarHBondContact OE1-NH2 3.41Å; E134-R385 IonicContact OE2-CZ 3.6Å; E134-R385 IonicContact OE2-NH1 3.01Å; E134-R385 PolarHBondContact OE2-NH1 3.4Å; E134-R385 IonicContact OE2-NH2 3.96Å; E134-R385 PolarHBondContact OE2-NH2 2.98Å; F372-R385 HydrophobicContact CZ-CG 4.35Å; L376-R385 HydrophobicContact CD1-CG 4.33Å
386P92.3Very high85.9Confident24 Ų2459.6 Ų59.616%0.15638%0.376CS..  trans-58.6144.1168.1-19.631.1000111.4F372 A375 L376F372-P386 HydrophobicContact CD2-CB 4.16Å; F372-P386 HydrophobicContact CE2-CB 4.15Å; F372-P386 VanDerWaalsContact CE2-O 3.23Å; F372-P386 WeakPolarHBondContact CE2-O 3.41Å; A375-P386 HydrophobicContact CB-CB 4.09Å; A375-P386 HydrophobicContact CB-CG 3.75Å; L376-P386 HydrophobicContact CB-CG 4.14Å; L376-P386 HydrophobicContact CD1-CG 4.43Å
387S94.3Very high86Confident21 Ų2163 Ų6315%0.14739%0.389CS..  trans-114.4127.7175.7175.70000110.6D256 C389 S390 L391D256-S387 WeakPolarHBondContact OD1-CB 3.37Å; D256-S387 PolarHBondContact OD1-OG 3.31Å; S387-C389 PolarHBondContact O-N 3.47Å; S387-C389 PolarHBondContact OG-N 3.5Å; S387-S390 PolarHBondContact O-N 3.36Å; S387-S390 PolarHBondContact O-OG 3.24Å; S387-L391 WeakPolarHBondContact O-CB 3.42Å; S387-L391 PolarHBondContact O-N 3.33Å
388L96.9Very high86.2Confident0 Ų062 Ų620%039%0.393CS..Hα-helixtrans-58.6-29.4174.5-72.2-174.7000112.7L143 D256 M257 C259 N273 I368 F372 S390 L391 I392L143-L388 HydrophobicContact CD1-CD1 4.13Å; L143-L388 HydrophobicContact CD1-CD2 4.28Å; L143-L388 HydrophobicContact CD2-CD1 4.35Å; D256-L388 WeakPolarHBondContact O-CB 3.41Å; D256-L388 WeakPolarHBondContact O-CG 3.39Å; D256-L388 PolarHBondContact O-N 2.7Å; M257-L388 VanDerWaalsContact C-CD1 3.48Å; C259-L388 HydrophobicContact CB-CD1 4.09Å; N273-L388 HydrophobicContact CB-CB 4.43Å; I368-L388 HydrophobicContact CG2-CD2 3.71Å; F372-L388 HydrophobicContact CB-CD2 4.14Å; F372-L388 HydrophobicContact CD2-CD2 3.74Å; F372-L388 HydrophobicContact CD2-CG 4.06Å; F372-L388 HydrophobicContact CE2-CG 4.5Å; F372-L388 HydrophobicContact CG-CD2 4.31Å; L388-S390 PolarHBondContact O-N 2.98Å; L388-L391 HydrophobicContact CD2-CB 4.42Å; L388-L391 HydrophobicContact CD2-CD2 3.7Å; L388-L391 PolarHBondContact O-N 3.29Å; L388-I392 HydrophobicContact CB-CD1 4.1Å; L388-I392 HydrophobicContact CB-CG1 4.38Å; L388-I392 HydrophobicContact CD2-CG1 4.4Å; L388-I392 WeakPolarHBondContact O-CB 3.42Å; L388-I392 WeakPolarHBondContact O-CG1 3.1Å; L388-I392 PolarHBondContact O-N 2.95Å
389C94.9Very high86.6Confident22 Ų2258.9 Ų58.915%0.14937%0.365CS..Hα-helixtrans-60.1-28173.9-67.80000112.9E255 S272 S387 P393E255-C389 PolarHBondContact OE1-SG 2.93Å; S272-C389 VanDerWaalsContact CB-O 3.31Å; S272-C389 WeakPolarHBondContact CB-O 3.3Å; S272-C389 VanDerWaalsContact OG-CA 3.28Å; S272-C389 WeakPolarHBondContact OG-CA 3.23Å; S272-C389 WeakPolarHBondContact OG-CB 3.26Å; S272-C389 PolarHBondContact OG-O 3.3Å; S272-C389 VanDerWaalsContact OG-O 3.12Å; S387-C389 PolarHBondContact O-N 3.47Å; S387-C389 PolarHBondContact OG-N 3.5Å; C389-P393 VanDerWaalsContact O-CD 3.26Å; C389-P393 WeakPolarHBondContact O-CD 3.39Å; C389-P393 VanDerWaalsContact O-CG 3.26Å; C389-P393 WeakPolarHBondContact O-CG 3.26Å
390S94.3Very high87.5Confident78 Ų7857.8 Ų57.855%0.54535%0.354SS..Hα-helixtrans-97.1-34.5173.870.50000113.1S387 L388 P393 S394S387-S390 PolarHBondContact O-N 3.36Å; S387-S390 PolarHBondContact O-OG 3.24Å; L388-S390 PolarHBondContact O-N 2.98Å; S390-P393 WeakPolarHBondContact O-CD 3.33Å; S390-S394 PolarHBondContact O-N 2.8Å
391L96.2Very high89.1Confident24 Ų2455.7 Ų55.713%0.12634%0.344CS..Hα-helixtrans-72.8-45.6-174-168.784.6000111.9A371 F372 A375 S387 L388 S394 V395A371-L391 HydrophobicContact CB-CD1 4.23Å; A371-L391 HydrophobicContact CB-CD2 3.9Å; A371-L391 HydrophobicContact CB-CG 4.25Å; F372-L391 HydrophobicContact CB-CD2 3.72Å; A375-L391 HydrophobicContact CB-CD1 4.5Å; S387-L391 WeakPolarHBondContact O-CB 3.42Å; S387-L391 PolarHBondContact O-N 3.33Å; L388-L391 HydrophobicContact CD2-CB 4.42Å; L388-L391 HydrophobicContact CD2-CD2 3.7Å; L388-L391 PolarHBondContact O-N 3.29Å; L391-S394 CarbonylContact O-C 3.52Å; L391-S394 WeakPolarHBondContact O-CA 3.42Å; L391-S394 VanDerWaalsContact O-CB 3.29Å; L391-S394 WeakPolarHBondContact O-CB 3.32Å; L391-S394 PolarHBondContact O-N 3.39Å; L391-V395 HydrophobicContact CG-CG2 4.4Å; L391-V395 WeakPolarHBondContact O-CG2 3.41Å; L391-V395 PolarHBondContact O-N 3.25Å
392I97Very high90.9Very high0 Ų052.8 Ų52.80%033%0.332CS..Hα-helixtrans-60.3-46.3-178.9-69.6177.5000110.9C259 N273 V275 I368 L388 S394 V395 R396 W484C259-I392 HydrophobicContact CB-CD1 4.37Å; N273-I392 HydrophobicContact CB-CD1 4.02Å; N273-I392 WeakPolarHBondContact O-CD1 3.37Å; V275-I392 HydrophobicContact CG2-CG2 4.29Å; I368-I392 HydrophobicContact CD1-CD1 4.26Å; I368-I392 HydrophobicContact CD1-CG1 4.03Å; I368-I392 HydrophobicContact CG1-CG1 4.21Å; I368-I392 HydrophobicContact CG2-CD1 4.11Å; I368-I392 HydrophobicContact CG2-CG1 3.78Å; L388-I392 HydrophobicContact CB-CD1 4.1Å; L388-I392 HydrophobicContact CB-CG1 4.38Å; L388-I392 HydrophobicContact CD2-CG1 4.4Å; L388-I392 WeakPolarHBondContact O-CB 3.42Å; L388-I392 WeakPolarHBondContact O-CG1 3.1Å; L388-I392 PolarHBondContact O-N 2.95Å; I392-S394 VanDerWaalsContact C-N 3.27Å; I392-S394 PolarHBondContact O-N 3.3Å; I392-V395 PolarHBondContact O-N 2.92Å; I392-R396 WeakPolarHBondContact O-CB 3.46Å; I392-R396 PolarHBondContact O-N 2.91Å; I392-W484 HydrophobicContact CG2-CH2 3.68Å; I392-W484 HydrophobicContact CG2-CZ3 4.24Å
393P95.7Very high92.6Very high32 Ų3249.4 Ų49.421%0.20831%0.309CS..Hα-helixtrans-57.9-35.6169.5-27.836.4000114.2S272 C389 S390 K397S272-P393 WeakPolarHBondContact O-CD 3.44Å; C389-P393 VanDerWaalsContact O-CD 3.26Å; C389-P393 WeakPolarHBondContact O-CD 3.39Å; C389-P393 VanDerWaalsContact O-CG 3.26Å; C389-P393 WeakPolarHBondContact O-CG 3.26Å; S390-P393 WeakPolarHBondContact O-CD 3.33Å; P393-K397 WeakPolarHBondContact O-CB 3.47Å; P393-K397 WeakPolarHBondContact O-CG 3.46Å; P393-K397 PolarHBondContact O-N 2.91Å
394S95.1Very high94.2Very high74 Ų7444.2 Ų44.252%0.51727%0.265SS..Hα-helixtrans-68.6-44.2177.2-170.90000112.4S390 L391 I392 R396 K397 S398S390-S394 PolarHBondContact O-N 2.8Å; L391-S394 CarbonylContact O-C 3.52Å; L391-S394 WeakPolarHBondContact O-CA 3.42Å; L391-S394 VanDerWaalsContact O-CB 3.29Å; L391-S394 WeakPolarHBondContact O-CB 3.32Å; L391-S394 PolarHBondContact O-N 3.39Å; I392-S394 VanDerWaalsContact C-N 3.27Å; I392-S394 PolarHBondContact O-N 3.3Å; S394-R396 VanDerWaalsContact C-N 3.34Å; S394-K397 PolarHBondContact O-N 3Å; S394-S398 PolarHBondContact O-N 2.96Å; S394-S398 VanDerWaalsContact O-N 3.12Å
395V95.8Very high95.3Very high19 Ų1936.4 Ų36.412%0.11523%0.228CC..Hα-helixtrans-61.7-44.8175.9174.10000109.9I368 A371 L391 I392 K397 S398 W484I368-V395 HydrophobicContact CG1-CG1 4.46Å; A371-V395 HydrophobicContact CB-CG2 3.93Å; L391-V395 HydrophobicContact CG-CG2 4.4Å; L391-V395 WeakPolarHBondContact O-CG2 3.41Å; L391-V395 PolarHBondContact O-N 3.25Å; I392-V395 PolarHBondContact O-N 2.92Å; V395-K397 PolarHBondContact O-N 3.49Å; V395-S398 PolarHBondContact O-N 3.46Å; V395-S398 PolarHBondContact O-OG 2.97Å; V395-W484 HydrophobicContact CB-CZ3 4.44Å; V395-W484 HydrophobicContact CG1-CE3 4.01Å; V395-W484 HydrophobicContact CG1-CZ3 4.11Å
396R95Very high95.8Very high29 Ų2932.2 Ų32.211%0.10921%0.213CC..Hα-helixtrans-60.9-41.6175.7175.5166.532.9166.7-14.8112.7I392 S394 S398 V399 M428 F429 W484I392-R396 WeakPolarHBondContact O-CB 3.46Å; I392-R396 PolarHBondContact O-N 2.91Å; S394-R396 VanDerWaalsContact C-N 3.34Å; R396-S398 VanDerWaalsContact C-N 3.29Å; R396-S398 PolarHBondContact O-N 3.27Å; R396-V399 WeakPolarHBondContact O-CB 3.5Å; R396-V399 VanDerWaalsContact O-CG2 3.31Å; R396-V399 WeakPolarHBondContact O-CG2 3.06Å; R396-V399 PolarHBondContact O-N 3.04Å; R396-M428 HydrophobicContact CG-CG 4.49Å; R396-M428 PolarHBondContact NH1-SD 3.17Å; R396-F429 HydrophobicContact CG-CD1 4.03Å; R396-F429 HydrophobicContact CG-CD2 3.92Å; R396-F429 HydrophobicContact CG-CE1 3.93Å; R396-F429 HydrophobicContact CG-CE2 3.83Å; R396-F429 HydrophobicContact CG-CG 4.03Å; R396-F429 HydrophobicContact CG-CZ 3.83Å; R396-F429 CarbonylContact O-C 3.49Å; R396-F429 WeakPolarHBondContact O-CA 3.31Å; R396-W484 HydrophobicContact CB-CE3 4.38Å; R396-W484 HydrophobicContact CB-CH2 4.04Å; R396-W484 HydrophobicContact CB-CZ2 4.31Å; R396-W484 HydrophobicContact CB-CZ3 4.09Å; R396-W484 HydrophobicContact CG-CZ2 4.47Å
397K96.2Very high95.9Very high124 Ų12431.4 Ų31.454%0.53921%0.207SC..Hα-helixtrans-68.2-21.7176.8-80.1178.4179.8178.50114.2P393 S394 V395 V399 M428 F429 G430P393-K397 WeakPolarHBondContact O-CB 3.47Å; P393-K397 WeakPolarHBondContact O-CG 3.46Å; P393-K397 PolarHBondContact O-N 2.91Å; S394-K397 PolarHBondContact O-N 3Å; V395-K397 PolarHBondContact O-N 3.49Å; K397-V399 VanDerWaalsContact C-N 3.29Å; K397-M428 WeakPolarHBondContact CG-O 3.32Å; K397-F429 CarbonylContact C-O 3.55Å; K397-F429 VanDerWaalsContact O-O 3.12Å; K397-G430 WeakPolarHBondContact O-CA 3.23Å
398S96.2Very high95.8Very high78 Ų7830.6 Ų30.655%0.54520%0.201SC..Hα-helixtrans-76.2-20.218070.70000112.7S394 V395 R396 L400 A401S394-S398 PolarHBondContact O-N 2.96Å; S394-S398 VanDerWaalsContact O-N 3.12Å; V395-S398 PolarHBondContact O-N 3.46Å; V395-S398 PolarHBondContact O-OG 2.97Å; R396-S398 VanDerWaalsContact C-N 3.29Å; R396-S398 PolarHBondContact O-N 3.27Å; S398-L400 PolarHBondContact O-N 2.77Å; S398-A401 WeakPolarHBondContact O-CB 3.12Å; S398-A401 PolarHBondContact O-N 2.99Å
399V96.4Very high95.4Very high17 Ų1733 Ų3310%0.10323%0.226CC..THydrogen-bonded Turntrans-57.2-48.8-174.9178.30000112.7R396 K397 F429 W484R396-V399 WeakPolarHBondContact O-CB 3.5Å; R396-V399 VanDerWaalsContact O-CG2 3.31Å; R396-V399 WeakPolarHBondContact O-CG2 3.06Å; R396-V399 PolarHBondContact O-N 3.04Å; K397-V399 VanDerWaalsContact C-N 3.29Å; V399-F429 HydrophobicContact CB-CD1 3.77Å; V399-F429 HydrophobicContact CG1-CD1 3.92Å; V399-F429 HydrophobicContact CG2-CD1 3.88Å; V399-F429 HydrophobicContact CG2-CE1 4.25Å; V399-W484 HydrophobicContact CG2-CB 3.92Å; V399-W484 WeakPolarHBondContact CG2-O 3.39Å
400L97.2Very high95.1Very high0 Ų033.6 Ų33.60%023%0.229CC..THydrogen-bonded Turntrans-112.222.2179-56.9178000112S398 G402 V403 V426 F429 G430 A431 W476 C480 R486S398-L400 PolarHBondContact O-N 2.77Å; L400-G402 PolarHBondContact O-N 3.37Å; L400-V403 HydrophobicContact CB-CB 4.14Å; L400-V403 HydrophobicContact CB-CG2 4.02Å; L400-V403 HydrophobicContact CD2-CG2 4.24Å; L400-V403 WeakPolarHBondContact O-CB 3.45Å; L400-V403 WeakPolarHBondContact O-CG2 3.39Å; L400-V403 PolarHBondContact O-N 3.25Å; L400-V426 HydrophobicContact CD1-CB 4.4Å; L400-V426 HydrophobicContact CD1-CG1 4.49Å; L400-F429 WeakPolarHBondContact CA-O 3.5Å; L400-F429 HydrophobicContact CB-CB 4.47Å; L400-F429 WeakPolarHBondContact CB-O 3.46Å; L400-F429 HydrophobicContact CD1-CB 3.89Å; L400-F429 HydrophobicContact CG-CB 4.08Å; L400-F429 PolarHBondContact N-O 3.48Å; L400-G430 CarbonylContact O-C 3.46Å; L400-A431 HydrophobicContact CB-CB 3.87Å; L400-A431 HydrophobicContact CD1-CB 4.12Å; L400-W476 HydrophobicContact CD2-CH2 4.02Å; L400-W476 HydrophobicContact CD2-CZ2 4.42Å; L400-C480 HydrophobicContact CD2-CB 4.08Å; L400-R486 HydrophobicContact CD2-CB 4.48Å; L400-R486 HydrophobicContact CD2-CG 4.46Å
401A96Very high94.6Very high63 Ų6330.9 Ų30.952%0.52121%0.209SC..THydrogen-bonded Turntrans-58.113117500000110.8S398 V403S398-A401 WeakPolarHBondContact O-CB 3.12Å; S398-A401 PolarHBondContact O-N 2.99Å; A401-V403 VanDerWaalsContact C-N 3.28Å; A401-V403 PolarHBondContact O-N 2.84Å
402G95Very high93.8Very high60 Ų6033 Ų3362%0.61922%0.224SC*.THydrogen-bonded Turntrans79.73.2-176.700000115L400L400-G402 PolarHBondContact O-N 3.37Å
403V96.8Very high93Very high1 Ų141.1 Ų41.11%0.00627%0.267CS..  trans-87.8116.9174.1-179.30000109.5L400 A401 I405 A431 C432 H449 W476L400-V403 HydrophobicContact CB-CB 4.14Å; L400-V403 HydrophobicContact CB-CG2 4.02Å; L400-V403 HydrophobicContact CD2-CG2 4.24Å; L400-V403 WeakPolarHBondContact O-CB 3.45Å; L400-V403 WeakPolarHBondContact O-CG2 3.39Å; L400-V403 PolarHBondContact O-N 3.25Å; A401-V403 VanDerWaalsContact C-N 3.28Å; A401-V403 PolarHBondContact O-N 2.84Å; V403-I405 HydrophobicContact CG1-CD1 4.04Å; V403-I405 HydrophobicContact CG1-CG1 3.61Å; V403-A431 HydrophobicContact CB-CB 4.23Å; V403-A431 HydrophobicContact CG1-CB 4.39Å; V403-A431 CarbonylContact O-C 3.57Å; V403-A431 VanDerWaalsContact O-CA 3.31Å; V403-A431 WeakPolarHBondContact O-CA 3.3Å; V403-C432 PolarHBondContact O-N 2.58Å; V403-H449 WeakPolarHBondContact CG1-ND1 3.08Å; V403-W476 HydrophobicContact CG1-CH2 3.92Å
404N96.9Very high92.3Very high10 Ų1046.5 Ų46.55%0.05330%0.299CS..EExtended strand (participates in β ladder)trans-100.8112.7170.7-61-43.5000110.2C432 I444 R446 T448 H449N404-C432 CarbonylContact C-O 3.55Å; N404-C432 WeakPolarHBondContact CA-O 3.15Å; N404-C432 WeakPolarHBondContact OD1-CB 3.45Å; N404-I444 PolarHBondContact ND2-O 2.87Å; N404-R446 VanDerWaalsContact CB-O 3.31Å; N404-R446 WeakPolarHBondContact CB-O 2.85Å; N404-R446 PolarHBondContact ND2-O 2.96Å; N404-T448 HydrophobicContact CB-CG2 4.44Å; N404-T448 PolarHBondContact N-OG1 3.27Å; N404-T448 PolarHBondContact O-N 3.28Å; N404-T448 PolarHBondContact O-OG1 3.22Å; N404-H449 PolarHBondContact O-N 2.8Å
405I96.9Very high91.6Very high0 Ų046.8 Ų46.80%029%0.292CS..EExtended strand (participates in β ladder)trans-103.7130-173.2-63-178.6000110.7V403 F407 V426 A431 C432 V433 Q434 H449 V451 W476V403-I405 HydrophobicContact CG1-CD1 4.04Å; V403-I405 HydrophobicContact CG1-CG1 3.61Å; I405-F407 HydrophobicContact CG2-CD1 4.17Å; I405-F407 HydrophobicContact CG2-CD2 4.4Å; I405-F407 HydrophobicContact CG2-CE1 3.83Å; I405-F407 HydrophobicContact CG2-CE2 4.12Å; I405-F407 HydrophobicContact CG2-CG 4.45Å; I405-F407 HydrophobicContact CG2-CZ 3.81Å; I405-V426 HydrophobicContact CD1-CB 3.84Å; I405-V426 HydrophobicContact CD1-CG1 3.77Å; I405-V426 HydrophobicContact CD1-CG2 4.16Å; I405-A431 HydrophobicContact CD1-CB 3.74Å; I405-A431 HydrophobicContact CG1-CB 4.18Å; I405-C432 PolarHBondContact N-O 3.42Å; I405-V433 WeakPolarHBondContact O-CA 3.45Å; I405-Q434 PolarHBondContact O-N 2.82Å; I405-H449 HydrophobicContact CG1-CB 4.4Å; I405-V451 HydrophobicContact CG2-CB 4.39Å; I405-V451 HydrophobicContact CG2-CG2 3.78Å; I405-W476 HydrophobicContact CD1-CZ3 4.25Å
406L95.8Very high91.1Very high1 Ų150 Ų501%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-110.9130.5164-178.863.7000109.6Q434 E435 F437 T447 H449 L450 V451 K459L406-Q434 WeakPolarHBondContact CD1-O 3.29Å; L406-E435 WeakPolarHBondContact CD1-O 3.39Å; L406-F437 HydrophobicContact CD2-CB 4.05Å; L406-F437 HydrophobicContact CD2-CD2 3.71Å; L406-F437 HydrophobicContact CD2-CG 4.3Å; L406-T447 HydrophobicContact CB-CG2 3.92Å; L406-H449 PolarHBondContact N-O 2.98Å; L406-L450 HydrophobicContact CB-CD1 4Å; L406-L450 HydrophobicContact CD2-CD1 3.85Å; L406-L450 HydrophobicContact CG-CD1 3.85Å; L406-L450 WeakPolarHBondContact O-CA 3.23Å; L406-V451 PolarHBondContact O-N 3.12Å; L406-K459 HydrophobicContact CD2-CD 4.12Å; L406-K459 HydrophobicContact CD2-CG 4.38Å; L406-K459 HydrophobicContact CG-CD 4.24Å
407F95.1Very high90.7Very high7 Ų750.2 Ų50.23%0.03132%0.317CS..EExtended strand (participates in β ladder)trans-91.3142.5176.1-68.2-65000112.4I405 V410 I417 I422 V426 V433 V451 K459I405-F407 HydrophobicContact CG2-CD1 4.17Å; I405-F407 HydrophobicContact CG2-CD2 4.4Å; I405-F407 HydrophobicContact CG2-CE1 3.83Å; I405-F407 HydrophobicContact CG2-CE2 4.12Å; I405-F407 HydrophobicContact CG2-CG 4.45Å; I405-F407 HydrophobicContact CG2-CZ 3.81Å; F407-V410 HydrophobicContact CB-CB 4.36Å; F407-V410 HydrophobicContact CD1-CB 4.02Å; F407-V410 HydrophobicContact CD1-CG1 4.16Å; F407-V410 HydrophobicContact CD1-CG2 4.04Å; F407-V410 HydrophobicContact CG-CB 4.49Å; F407-I417 HydrophobicContact CD2-CD1 3.9Å; F407-I417 HydrophobicContact CD2-CG1 4.44Å; F407-I422 HydrophobicContact CE1-CD1 3.8Å; F407-I422 HydrophobicContact CE1-CG1 4Å; F407-I422 HydrophobicContact CE1-CG2 3.98Å; F407-I422 HydrophobicContact CE2-CG2 4.4Å; F407-I422 HydrophobicContact CZ-CB 4.48Å; F407-I422 HydrophobicContact CZ-CD1 4.37Å; F407-I422 HydrophobicContact CZ-CG1 4.05Å; F407-I422 HydrophobicContact CZ-CG2 3.86Å; F407-V426 HydrophobicContact CE2-CG2 4.5Å; F407-V426 HydrophobicContact CZ-CG2 4.12Å; F407-V433 HydrophobicContact CD2-CG1 3.76Å; F407-V433 HydrophobicContact CE2-CG1 3.67Å; F407-V433 HydrophobicContact CE2-CG2 4Å; F407-V451 WeakPolarHBondContact CA-O 3.47Å; F407-V451 HydrophobicContact CD1-CB 3.8Å; F407-V451 HydrophobicContact CD1-CG1 4.15Å; F407-V451 HydrophobicContact CE1-CB 3.93Å; F407-V451 HydrophobicContact CE1-CG1 4.1Å; F407-V451 HydrophobicContact CE1-CG2 4.31Å; F407-K459 WeakPolarHBondContact O-CD 3.41Å; F407-K459 PolarHBondContact O-NZ 2.79Å
408S92.8Very high90.4Very high4 Ų448.4 Ų48.43%0.02831%0.31CS..EExtended strand (participates in β ladder)trans-136.6103.4176168.80000112.5V410 V451 A452 V453 T457S408-V410 PolarHBondContact O-N 3.25Å; S408-V451 PolarHBondContact N-O 2.71Å; S408-A452 VanDerWaalsContact O-CA 3.29Å; S408-A452 WeakPolarHBondContact O-CA 3.32Å; S408-V453 PolarHBondContact O-N 2.72Å; S408-T457 WeakPolarHBondContact OG-CB 3.32Å; S408-T457 WeakPolarHBondContact OG-CG2 3.36Å; S408-T457 PolarHBondContact OG-OG1 3.18Å
409G88.4Confident90Very high51 Ų5147.6 Ų47.653%0.52630%0.304SS..SBendtrans77.40.6179.500000114.7V453G409-V453 WeakPolarHBondContact O-CG2 3.47Å
410V87.7Confident89.6Confident34 Ų3447.2 Ų47.221%0.20630%0.303CS..SBendtrans-80.3-41.5-179.8-176.70000111.6F407 S408 I422 V451 V453 P474F407-V410 HydrophobicContact CB-CB 4.36Å; F407-V410 HydrophobicContact CD1-CB 4.02Å; F407-V410 HydrophobicContact CD1-CG1 4.16Å; F407-V410 HydrophobicContact CD1-CG2 4.04Å; F407-V410 HydrophobicContact CG-CB 4.49Å; S408-V410 PolarHBondContact O-N 3.25Å; V410-I422 HydrophobicContact CG1-CD1 3.97Å; V410-I422 HydrophobicContact CG1-CG2 3.89Å; V410-V451 HydrophobicContact CG2-CG1 4.18Å; V410-V451 WeakPolarHBondContact CG2-O 3.2Å; V410-V453 HydrophobicContact CG2-CG1 4.17Å; V410-P474 HydrophobicContact CG2-CG 4.24Å
411V84.1Confident89.1Confident21 Ų2148.7 Ų48.713%0.12731%0.311CS..SBendtrans-105.6125-178.2-176.30000109.6Q415 I417 A420 I422V411-Q415 HydrophobicContact CG1-CG 4.2Å; V411-I417 HydrophobicContact CB-CG1 4.39Å; V411-I417 HydrophobicContact CG1-CG1 4.32Å; V411-I417 HydrophobicContact CG2-CG1 4.11Å; V411-A420 HydrophobicContact CB-CB 4.37Å; V411-A420 HydrophobicContact CG1-CB 3.82Å; V411-A420 HydrophobicContact CG2-CB 3.63Å; V411-I422 HydrophobicContact CG2-CG2 4.26Å
412P80.5Confident88.8Confident67 Ų6746.2 Ų46.244%0.43529%0.289SS..  trans-55.6136.4172.7-26.230.9000112.9V414 Q415P412-V414 HydrophobicContact CB-CG2 4.08Å; P412-V414 PolarHBondContact O-N 3.06Å; P412-V414 VanDerWaalsContact O-N 3.13Å; P412-Q415 HydrophobicContact CB-CG 4.48Å; P412-Q415 PolarHBondContact O-N 3.24Å
413N78.6Confident88.8Confident171 Ų17145.9 Ų45.991%0.91427%0.269SS*.THydrogen-bonded Turntrans-65.4-16.4-178.9-66.7-19.1000114.3Q415N413-Q415 VanDerWaalsContact C-N 3.29Å; N413-Q415 PolarHBondContact O-N 3.31Å
414V81.3Confident88.5Confident145 Ų14548.1 Ų48.188%0.87928%0.278SS*.THydrogen-bonded Turntrans-79.3-9.7-176.3-1060000113.5P412P412-V414 HydrophobicContact CB-CG2 4.08Å; P412-V414 PolarHBondContact O-N 3.06Å; P412-V414 VanDerWaalsContact O-N 3.13Å
415Q80.3Confident88.3Confident81 Ų8147.7 Ų47.738%0.37928%0.275SS..SBendtrans-124.1151.6-179.165.6178.2-15.400111.9V411 P412 N413 I417 S419V411-Q415 HydrophobicContact CG1-CG 4.2Å; P412-Q415 HydrophobicContact CB-CG 4.48Å; P412-Q415 PolarHBondContact O-N 3.24Å; N413-Q415 VanDerWaalsContact C-N 3.29Å; N413-Q415 PolarHBondContact O-N 3.31Å; Q415-I417 PolarHBondContact O-N 3.05Å; Q415-S419 PolarHBondContact OE1-OG 3.32Å
416P85.9Confident88.2Confident86 Ų8647.7 Ų47.756%0.55828%0.275SS*.  trans-54.7138.5169.6-22.233000110.6Q418 S419P416-Q418 PolarHBondContact O-N 3.38Å; P416-Q418 VanDerWaalsContact O-N 3.1Å; P416-S419 PolarHBondContact O-N 2.99Å; P416-S419 PolarHBondContact O-OG 3.23Å
417I87.8Confident88.2Confident34 Ų3450.3 Ų50.317%0.17429%0.291CS..G310 helixtrans-59.8-30-178.9-160.3174.8000112F407 V411 Q415 S419 A420 Y423 V433F407-I417 HydrophobicContact CD2-CD1 3.9Å; F407-I417 HydrophobicContact CD2-CG1 4.44Å; V411-I417 HydrophobicContact CB-CG1 4.39Å; V411-I417 HydrophobicContact CG1-CG1 4.32Å; V411-I417 HydrophobicContact CG2-CG1 4.11Å; Q415-I417 PolarHBondContact O-N 3.05Å; I417-S419 VanDerWaalsContact C-N 3.26Å; I417-S419 PolarHBondContact O-N 3.07Å; I417-A420 WeakPolarHBondContact O-CB 3.43Å; I417-A420 PolarHBondContact O-N 3.33Å; I417-Y423 HydrophobicContact CB-CD2 4.39Å; I417-Y423 HydrophobicContact CD1-CD2 4.46Å; I417-Y423 HydrophobicContact CG1-CD2 3.99Å; I417-Y423 HydrophobicContact CG2-CD2 3.94Å; I417-Y423 HydrophobicContact CG2-CE2 3.89Å; I417-Y423 WeakPolarHBondContact O-CB 3.46Å; I417-V433 HydrophobicContact CD1-CG1 4Å
418Q89.7Confident88.1Confident86 Ų8652.1 Ų52.140%0.40230%0.3SS..G310 helixtrans-67.9-20.3179.7-57.781.8-0.400113.7P416 A420 Y423P416-Q418 PolarHBondContact O-N 3.38Å; P416-Q418 VanDerWaalsContact O-N 3.1Å; Q418-A420 VanDerWaalsContact C-N 3.34Å; Q418-Y423 HydrophobicContact CB-CD1 4.29Å; Q418-Y423 HydrophobicContact CB-CE1 4.04Å; Q418-Y423 HydrophobicContact CG-CE1 3.91Å; Q418-Y423 HydrophobicContact CG-CE2 4.14Å
419S86.8Confident88.2Confident61 Ų6152.1 Ų52.143%0.42730%0.3SS..G310 helixtrans-80.8-16.9175.669.10000112.6Q415 P416 I417Q415-S419 PolarHBondContact OE1-OG 3.32Å; P416-S419 PolarHBondContact O-N 2.99Å; P416-S419 PolarHBondContact O-OG 3.23Å; I417-S419 VanDerWaalsContact C-N 3.26Å; I417-S419 PolarHBondContact O-N 3.07Å
420A88.4Confident88.6Confident9 Ų950.7 Ų50.77%0.07429%0.286CS..SBendtrans-69.3134.2-179.500000111.2V411 I417 Q418 I422 Y423 R424V411-A420 HydrophobicContact CB-CB 4.37Å; V411-A420 HydrophobicContact CG1-CB 3.82Å; V411-A420 HydrophobicContact CG2-CB 3.63Å; I417-A420 WeakPolarHBondContact O-CB 3.43Å; I417-A420 PolarHBondContact O-N 3.33Å; Q418-A420 VanDerWaalsContact C-N 3.34Å; A420-I422 VanDerWaalsContact C-N 3.31Å; A420-I422 HydrophobicContact CB-CG2 4.37Å; A420-I422 PolarHBondContact O-N 3.05Å; A420-Y423 WeakPolarHBondContact O-CB 3.45Å; A420-Y423 PolarHBondContact O-N 3.17Å; A420-Y423 VanDerWaalsContact O-N 3.1Å; A420-R424 PolarHBondContact O-N 3.22Å
421N86.1Confident89.1Confident31 Ų3149.3 Ų49.317%0.16628%0.277CS..Hα-helixtrans-54.2-48.6178179.836.6000111.7Y423 R424 V425 W478 R505 T506 I507N421-Y423 PolarHBondContact O-N 2.86Å; N421-R424 PolarHBondContact O-N 2.7Å; N421-V425 WeakPolarHBondContact O-CG2 3.31Å; N421-V425 PolarHBondContact O-N 2.77Å; N421-V425 WeakPolarHBondContact OD1-CG2 3.38Å; N421-W478 WeakPolarHBondContact ND2-CH2 3.48Å; N421-R505 PolarHBondContact ND2-O 2.98Å; N421-T506 WeakPolarHBondContact ND2-CA 3.36Å; N421-I507 PolarHBondContact ND2-N 3.44Å; N421-I507 PolarHBondContact OD1-N 3.13Å; N421-I507 PolarHBondContact OD1-O 3.08Å; N421-I507 VanDerWaalsContact OD1-O 3.09Å
422I90.8Very high89.6Confident11 Ų1151.8 Ų51.86%0.05630%0.295CS..Hα-helixtrans-58.2-35.2-179.5-161.7170.3000112.9F407 V410 V411 A420 V426 V451 P474 V477 W478F407-I422 HydrophobicContact CE1-CD1 3.8Å; F407-I422 HydrophobicContact CE1-CG1 4Å; F407-I422 HydrophobicContact CE1-CG2 3.98Å; F407-I422 HydrophobicContact CE2-CG2 4.4Å; F407-I422 HydrophobicContact CZ-CB 4.48Å; F407-I422 HydrophobicContact CZ-CD1 4.37Å; F407-I422 HydrophobicContact CZ-CG1 4.05Å; F407-I422 HydrophobicContact CZ-CG2 3.86Å; V410-I422 HydrophobicContact CG1-CD1 3.97Å; V410-I422 HydrophobicContact CG1-CG2 3.89Å; V411-I422 HydrophobicContact CG2-CG2 4.26Å; A420-I422 VanDerWaalsContact C-N 3.31Å; A420-I422 HydrophobicContact CB-CG2 4.37Å; A420-I422 PolarHBondContact O-N 3.05Å; I422-V426 HydrophobicContact CG1-CG1 4.44Å; I422-V426 WeakPolarHBondContact O-CG1 3.49Å; I422-V426 WeakPolarHBondContact O-CG2 3.46Å; I422-V426 PolarHBondContact O-N 3.41Å; I422-V426 VanDerWaalsContact O-N 3.08Å; I422-V451 HydrophobicContact CD1-CG1 4.49Å; I422-P474 HydrophobicContact CD1-CB 4.31Å; I422-V477 HydrophobicContact CD1-CB 4.29Å; I422-V477 HydrophobicContact CD1-CG1 4.25Å; I422-V477 HydrophobicContact CD1-CG2 4.27Å; I422-V477 HydrophobicContact CG1-CG1 3.95Å; I422-W478 HydrophobicContact CB-CH2 4.18Å; I422-W478 HydrophobicContact CB-CZ2 4.02Å; I422-W478 HydrophobicContact CD1-CZ2 4.2Å; I422-W478 HydrophobicContact CG1-CH2 4.26Å; I422-W478 HydrophobicContact CG1-CZ2 3.99Å
423Y93.7Very high90.4Very high52 Ų5250 Ų5020%0.20428%0.283CS..Hα-helixtrans-61.4-46.9175.6174.2-77.9000111I417 Q418 A420 N421 V426 T427 V433I417-Y423 HydrophobicContact CB-CD2 4.39Å; I417-Y423 HydrophobicContact CD1-CD2 4.46Å; I417-Y423 HydrophobicContact CG1-CD2 3.99Å; I417-Y423 HydrophobicContact CG2-CD2 3.94Å; I417-Y423 HydrophobicContact CG2-CE2 3.89Å; I417-Y423 WeakPolarHBondContact O-CB 3.46Å; Q418-Y423 HydrophobicContact CB-CD1 4.29Å; Q418-Y423 HydrophobicContact CB-CE1 4.04Å; Q418-Y423 HydrophobicContact CG-CE1 3.91Å; Q418-Y423 HydrophobicContact CG-CE2 4.14Å; A420-Y423 WeakPolarHBondContact O-CB 3.45Å; A420-Y423 PolarHBondContact O-N 3.17Å; A420-Y423 VanDerWaalsContact O-N 3.1Å; N421-Y423 PolarHBondContact O-N 2.86Å; Y423-V426 WeakPolarHBondContact O-CG2 3.26Å; Y423-T427 WeakPolarHBondContact O-CB 3.26Å; Y423-T427 PolarHBondContact O-N 3.42Å; Y423-T427 VanDerWaalsContact O-N 3.13Å; Y423-T427 PolarHBondContact O-OG1 3.26Å; Y423-V433 HydrophobicContact CD2-CB 3.79Å; Y423-V433 HydrophobicContact CD2-CG1 3.69Å; Y423-V433 HydrophobicContact CD2-CG2 3.79Å; Y423-V433 HydrophobicContact CE2-CB 3.57Å; Y423-V433 HydrophobicContact CE2-CG1 3.78Å; Y423-V433 HydrophobicContact CE2-CG2 3.93Å; Y423-V433 HydrophobicContact CG-CG2 4.4Å
424R91.7Very high91.1Very high49 Ų4943.2 Ų43.219%0.18525%0.246CC..Hα-helixtrans-68.8-41.4-174.8-62.7174.269.5-158.85.1110.8A420 N421 T427 M428 I509 N511A420-R424 PolarHBondContact O-N 3.22Å; N421-R424 PolarHBondContact O-N 2.7Å; R424-T427 PolarHBondContact O-N 3Å; R424-M428 WeakPolarHBondContact O-CB 3.34Å; R424-M428 PolarHBondContact O-N 3.2Å; R424-I509 PolarHBondContact NH1-O 3.19Å; R424-I509 VanDerWaalsContact NH2-CB 3.35Å; R424-I509 PolarHBondContact NH2-O 3.32Å; R424-N511 PolarHBondContact NH2-OD1 3.17Å
425V91.2Very high91.4Very high0 Ų042.5 Ų42.50%023%0.233CC..Hα-helixtrans-63.7-51.5178.2174.80000111.4N421 T427 M428 F429 W478 V481 I507N421-V425 WeakPolarHBondContact O-CG2 3.31Å; N421-V425 PolarHBondContact O-N 2.77Å; N421-V425 WeakPolarHBondContact OD1-CG2 3.38Å; V425-T427 VanDerWaalsContact C-N 3.26Å; V425-T427 PolarHBondContact O-N 3.16Å; V425-M428 WeakPolarHBondContact O-CB 3.25Å; V425-M428 PolarHBondContact O-N 2.84Å; V425-M428 VanDerWaalsContact O-N 3.12Å; V425-F429 HydrophobicContact CG1-CD2 4.3Å; V425-F429 HydrophobicContact CG1-CE2 4.48Å; V425-F429 WeakPolarHBondContact O-CD2 3.28Å; V425-F429 PolarHBondContact O-N 2.86Å; V425-W478 HydrophobicContact CB-CZ3 4.28Å; V425-W478 HydrophobicContact CG1-CZ3 4.07Å; V425-W478 HydrophobicContact CG2-CH2 4.48Å; V425-W478 HydrophobicContact CG2-CZ3 4.12Å; V425-V481 HydrophobicContact CG1-CB 4.14Å; V425-V481 HydrophobicContact CG1-CG1 3.76Å; V425-V481 HydrophobicContact CG1-CG2 3.31Å; V425-I507 HydrophobicContact CG1-CD1 4.12Å; V425-I507 HydrophobicContact CG2-CB 3.91Å; V425-I507 HydrophobicContact CG2-CD1 3.64Å; V425-I507 HydrophobicContact CG2-CG1 3.93Å
426V95.3Very high91.9Very high0 Ų044.1 Ų44.10%024%0.244CC..Hα-helixtrans-62.9-36-179.9-60.90000112.1L400 I405 F407 I422 Y423 F429 G430 A431 V433 V477L400-V426 HydrophobicContact CD1-CB 4.4Å; L400-V426 HydrophobicContact CD1-CG1 4.49Å; I405-V426 HydrophobicContact CD1-CB 3.84Å; I405-V426 HydrophobicContact CD1-CG1 3.77Å; I405-V426 HydrophobicContact CD1-CG2 4.16Å; F407-V426 HydrophobicContact CE2-CG2 4.5Å; F407-V426 HydrophobicContact CZ-CG2 4.12Å; I422-V426 HydrophobicContact CG1-CG1 4.44Å; I422-V426 WeakPolarHBondContact O-CG1 3.49Å; I422-V426 WeakPolarHBondContact O-CG2 3.46Å; I422-V426 PolarHBondContact O-N 3.41Å; I422-V426 VanDerWaalsContact O-N 3.08Å; Y423-V426 WeakPolarHBondContact O-CG2 3.26Å; V426-F429 CarbonylContact O-C 3.56Å; V426-F429 PolarHBondContact O-N 2.79Å; V426-G430 PolarHBondContact O-N 3.3Å; V426-A431 HydrophobicContact CB-CB 3.97Å; V426-A431 HydrophobicContact CG2-CB 4.42Å; V426-A431 WeakPolarHBondContact O-CB 3.46Å; V426-A431 PolarHBondContact O-N 3.19Å; V426-V433 HydrophobicContact CG2-CG2 3.42Å; V426-V433 VanDerWaalsContact CG2-CG2 3.42Å; V426-V477 HydrophobicContact CG1-CB 4.34Å; V426-V477 HydrophobicContact CG1-CG1 3.37Å; V426-V477 HydrophobicContact CG1-CG2 3.99Å
427T95.7Very high92.1Very high57 Ų5741.8 Ų41.835%0.3523%0.225SC..Hα-helixtrans-65.8-40.6176.1-54.90000111.3Y423 R424 V425 F429 G430Y423-T427 WeakPolarHBondContact O-CB 3.26Å; Y423-T427 PolarHBondContact O-N 3.42Å; Y423-T427 VanDerWaalsContact O-N 3.13Å; Y423-T427 PolarHBondContact O-OG1 3.26Å; R424-T427 PolarHBondContact O-N 3Å; V425-T427 VanDerWaalsContact C-N 3.26Å; V425-T427 PolarHBondContact O-N 3.16Å; T427-F429 PolarHBondContact O-N 2.76Å; T427-G430 PolarHBondContact O-N 3.28Å
428M92.9Very high92.2Very high44 Ų4442.2 Ų42.222%0.21723%0.229CC..Hα-helixtrans-63.6-31.2176.4-172.9170.967.700112.2R396 K397 R424 V425 G430 I509R396-M428 HydrophobicContact CG-CG 4.49Å; R396-M428 PolarHBondContact NH1-SD 3.17Å; K397-M428 WeakPolarHBondContact CG-O 3.32Å; R424-M428 WeakPolarHBondContact O-CB 3.34Å; R424-M428 PolarHBondContact O-N 3.2Å; V425-M428 WeakPolarHBondContact O-CB 3.25Å; V425-M428 PolarHBondContact O-N 2.84Å; V425-M428 VanDerWaalsContact O-N 3.12Å; M428-G430 VanDerWaalsContact C-N 3.3Å; M428-I509 HydrophobicContact CE-CD1 3.73Å; M428-I509 HydrophobicContact SD-CD1 3.63Å
429F96.3Very high91.9Very high4 Ų443.6 Ų43.62%0.01824%0.236CC..THydrogen-bonded Turntrans-87.67.3175.3-81.1-105.2000113.9R396 K397 V399 L400 V425 V426 T427 V481 W484R396-F429 HydrophobicContact CG-CD1 4.03Å; R396-F429 HydrophobicContact CG-CD2 3.92Å; R396-F429 HydrophobicContact CG-CE1 3.93Å; R396-F429 HydrophobicContact CG-CE2 3.83Å; R396-F429 HydrophobicContact CG-CG 4.03Å; R396-F429 HydrophobicContact CG-CZ 3.83Å; R396-F429 CarbonylContact O-C 3.49Å; R396-F429 WeakPolarHBondContact O-CA 3.31Å; K397-F429 CarbonylContact C-O 3.55Å; K397-F429 VanDerWaalsContact O-O 3.12Å; V399-F429 HydrophobicContact CB-CD1 3.77Å; V399-F429 HydrophobicContact CG1-CD1 3.92Å; V399-F429 HydrophobicContact CG2-CD1 3.88Å; V399-F429 HydrophobicContact CG2-CE1 4.25Å; L400-F429 WeakPolarHBondContact CA-O 3.5Å; L400-F429 HydrophobicContact CB-CB 4.47Å; L400-F429 WeakPolarHBondContact CB-O 3.46Å; L400-F429 HydrophobicContact CD1-CB 3.89Å; L400-F429 HydrophobicContact CG-CB 4.08Å; L400-F429 PolarHBondContact N-O 3.48Å; V425-F429 HydrophobicContact CG1-CD2 4.3Å; V425-F429 HydrophobicContact CG1-CE2 4.48Å; V425-F429 WeakPolarHBondContact O-CD2 3.28Å; V425-F429 PolarHBondContact O-N 2.86Å; V426-F429 CarbonylContact O-C 3.56Å; V426-F429 PolarHBondContact O-N 2.79Å; T427-F429 PolarHBondContact O-N 2.76Å; F429-V481 HydrophobicContact CD1-CG2 4.39Å; F429-V481 HydrophobicContact CD2-CG1 4.42Å; F429-V481 HydrophobicContact CD2-CG2 3.97Å; F429-V481 HydrophobicContact CE1-CB 4.42Å; F429-V481 HydrophobicContact CE1-CG1 4.48Å; F429-V481 HydrophobicContact CE1-CG2 4.48Å; F429-V481 HydrophobicContact CE2-CB 4.23Å; F429-V481 HydrophobicContact CE2-CG1 3.68Å; F429-V481 HydrophobicContact CE2-CG2 4.05Å; F429-V481 HydrophobicContact CG-CG2 4.14Å; F429-V481 HydrophobicContact CZ-CB 4.12Å; F429-V481 HydrophobicContact CZ-CG1 3.71Å; F429-V481 HydrophobicContact CZ-CG2 4.3Å; F429-V481 WeakPolarHBondContact CZ-O 3.31Å; F429-W484 HydrophobicContact CE1-CB 4.43Å; F429-W484 AromaticContact CE1-CD1 3.55Å; F429-W484 HydrophobicContact CE1-CD2 4.36Å; F429-W484 AromaticContact CE1-CG 3.87Å; F429-W484 HydrophobicContact CE1-CG 3.87Å; F429-W484 AromaticContact CE1-NE1 3.78Å; F429-W484 AromaticContact CZ-CD1 3.74Å; F429-W484 HydrophobicContact CZ-CG 4.4Å; F429-W484 AromaticContact CZ-NE1 3.53Å
430G96.5Very high91.2Very high22 Ų2246.7 Ų46.723%0.22725%0.252CS..THydrogen-bonded Turntrans93.23.5170.300000116.2K397 L400 V426 T427 M428K397-G430 WeakPolarHBondContact O-CA 3.23Å; L400-G430 CarbonylContact O-C 3.46Å; V426-G430 PolarHBondContact O-N 3.3Å; T427-G430 PolarHBondContact O-N 3.28Å; M428-G430 VanDerWaalsContact C-N 3.3Å
431A97.2Very high90.3Very high4 Ų448.8 Ų48.83%0.03328%0.275CS..PPolyproline II helixtrans-73.2149.9173.200000111.3L400 V403 I405 V426L400-A431 HydrophobicContact CB-CB 3.87Å; L400-A431 HydrophobicContact CD1-CB 4.12Å; V403-A431 HydrophobicContact CB-CB 4.23Å; V403-A431 HydrophobicContact CG1-CB 4.39Å; V403-A431 CarbonylContact O-C 3.57Å; V403-A431 VanDerWaalsContact O-CA 3.31Å; V403-A431 WeakPolarHBondContact O-CA 3.3Å; I405-A431 HydrophobicContact CD1-CB 3.74Å; I405-A431 HydrophobicContact CG1-CB 4.18Å; V426-A431 HydrophobicContact CB-CB 3.97Å; V426-A431 HydrophobicContact CG2-CB 4.42Å; V426-A431 WeakPolarHBondContact O-CB 3.46Å; V426-A431 PolarHBondContact O-N 3.19Å
432C95.7Very high90Very high74 Ų7452 Ų5250%0.529%0.292SS..EExtended strand (participates in β ladder)trans-98.2124.9168-66.10000109.7V403 N404 I405V403-C432 PolarHBondContact O-N 2.58Å; N404-C432 CarbonylContact C-O 3.55Å; N404-C432 WeakPolarHBondContact CA-O 3.15Å; N404-C432 WeakPolarHBondContact OD1-CB 3.45Å; I405-C432 PolarHBondContact N-O 3.42Å
433V95.7Very high89.4Confident30 Ų3055.1 Ų55.118%0.18232%0.32CS..EExtended strand (participates in β ladder)trans-91.6131.6175.7-175.90000110.1I405 F407 I417 Y423 V426I405-V433 WeakPolarHBondContact O-CA 3.45Å; F407-V433 HydrophobicContact CD2-CG1 3.76Å; F407-V433 HydrophobicContact CE2-CG1 3.67Å; F407-V433 HydrophobicContact CE2-CG2 4Å; I417-V433 HydrophobicContact CD1-CG1 4Å; Y423-V433 HydrophobicContact CD2-CB 3.79Å; Y423-V433 HydrophobicContact CD2-CG1 3.69Å; Y423-V433 HydrophobicContact CD2-CG2 3.79Å; Y423-V433 HydrophobicContact CE2-CB 3.57Å; Y423-V433 HydrophobicContact CE2-CG1 3.78Å; Y423-V433 HydrophobicContact CE2-CG2 3.93Å; Y423-V433 HydrophobicContact CG-CG2 4.4Å; V426-V433 HydrophobicContact CG2-CG2 3.42Å; V426-V433 VanDerWaalsContact CG2-CG2 3.42Å
434Q93.3Very high88.9Confident28 Ų2859 Ų5913%0.13134%0.343CS..EExtended strand (participates in β ladder)trans-109.8142.2179.8-59.3-178.7-45.700110.5I405 L406 S445 T447I405-Q434 PolarHBondContact O-N 2.82Å; L406-Q434 WeakPolarHBondContact CD1-O 3.29Å; Q434-S445 PolarHBondContact NE2-O 3.18Å; Q434-T447 PolarHBondContact OE1-OG1 3.35Å
435E89.1Confident88.8Confident129 Ų12958.6 Ų58.660%0.60335%0.347SS*.SBendtrans-82-33.7175.2-64.7-174.2177.200112L406L406-E435 WeakPolarHBondContact CD1-O 3.39Å
436N89.9Confident88.8Confident116 Ų11663.3 Ų63.362%0.6237%0.365SS*.SBendtrans-126.1159-176.1-64.2-60.6000111V438N436-V438 PolarHBondContact O-N 3.35Å
437F90Very high88.9Confident36 Ų3663.5 Ų63.516%0.15837%0.366CS..  trans-68.6129.1175.4-156.6-74.9000110.2L406 E439 T447 M462 A463 L466 V469L406-F437 HydrophobicContact CD2-CB 4.05Å; L406-F437 HydrophobicContact CD2-CD2 3.71Å; L406-F437 HydrophobicContact CD2-CG 4.3Å; F437-E439 HydrophobicContact CD1-CB 4.11Å; F437-E439 HydrophobicContact CE1-CB 4.14Å; F437-T447 HydrophobicContact CD2-CG2 4.43Å; F437-T447 HydrophobicContact CE2-CG2 4.17Å; F437-T447 HydrophobicContact CZ-CG2 4.4Å; F437-M462 HydrophobicContact CB-CE 4.07Å; F437-M462 HydrophobicContact CB-SD 3.95Å; F437-M462 HydrophobicContact CD1-CE 3.89Å; F437-M462 HydrophobicContact CD1-SD 4.43Å; F437-M462 HydrophobicContact CD2-CG 4.44Å; F437-M462 HydrophobicContact CD2-SD 4.24Å; F437-M462 HydrophobicContact CG-CE 3.96Å; F437-M462 HydrophobicContact CG-SD 3.94Å; F437-A463 HydrophobicContact CE2-CB 4.14Å; F437-L466 HydrophobicContact CD1-CD1 3.96Å; F437-L466 HydrophobicContact CE1-CD1 3.05Å; F437-L466 HydrophobicContact CE2-CD1 4.03Å; F437-L466 HydrophobicContact CZ-CD1 3.08Å; F437-L466 HydrophobicContact CZ-CG 4.47Å; F437-V469 HydrophobicContact CE2-CG2 4.17Å; F437-V469 HydrophobicContact CZ-CB 4.47Å; F437-V469 HydrophobicContact CZ-CG2 3.54Å
438V90.4Very high88.9Confident44 Ų4461.7 Ų61.727%0.26736%0.355SS..  trans-111.595.1175.8-1760000108.1N436 R446 T447N436-V438 PolarHBondContact O-N 3.35Å; V438-R446 WeakPolarHBondContact O-CA 3.18Å; V438-T447 PolarHBondContact N-OG1 2.93Å; V438-T447 PolarHBondContact O-N 2.98Å
439E82.4Confident89.1Confident114 Ų11459.6 Ų59.653%0.53334%0.344SS..  trans-83.8-45.5-180-177.8-179.217600111.7F437 L466F437-E439 HydrophobicContact CD1-CB 4.11Å; F437-E439 HydrophobicContact CE1-CB 4.14Å; E439-L466 VanDerWaalsContact CD-CD2 3.5Å; E439-L466 HydrophobicContact CG-CD1 4.34Å; E439-L466 HydrophobicContact CG-CD2 3.82Å; E439-L466 VanDerWaalsContact OE1-CD2 3.22Å; E439-L466 WeakPolarHBondContact OE1-CD2 3.42Å
440T72.9Confident89.1Confident126 Ų12659.4 Ų59.477%0.77334%0.343SS*.SBendtrans-108.8118-176.153.70000110.1
441G69.3Low89.1Confident53 Ų5358.3 Ų58.355%0.54633%0.333SS..SBendtrans179.1177.3-17900000110.7
442D79.5Confident89Confident99 Ų9958.1 Ų58.153%0.52933%0.331SS..  trans-59.9152.4164.958.9-19.3000110.3I444 S445 R446D442-I444 PolarHBondContact O-N 3.2Å; D442-S445 PolarHBondContact O-N 2.84Å; D442-S445 PolarHBondContact O-OG 2.96Å; D442-S445 WeakPolarHBondContact OD1-CB 3.25Å; D442-S445 PolarHBondContact OD1-N 3.34Å; D442-S445 PolarHBondContact OD1-OG 3.03Å; D442-R446 PolarHBondContact O-N 3.39Å
443A78.1Confident88.8Confident77 Ų7756.8 Ų56.864%0.63632%0.32SS*.THydrogen-bonded Turntrans-56.8-19.3-175.100000113.5R446A443-R446 WeakPolarHBondContact O-CG 3Å
444I84.4Confident88.5Confident134 Ų13463.8 Ų63.869%0.68734%0.343SS*.THydrogen-bonded Turntrans-79.8-28.9179.2-59.8168.2000112N404 D442N404-I444 PolarHBondContact ND2-O 2.87Å; D442-I444 PolarHBondContact O-N 3.2Å
445S88.1Confident88.1Confident39 Ų3963.5 Ų63.527%0.27335%0.346SS..THydrogen-bonded Turntrans-99.3-16.4-177.563.60000114.5Q434 D442Q434-S445 PolarHBondContact NE2-O 3.18Å; D442-S445 PolarHBondContact O-N 2.84Å; D442-S445 PolarHBondContact O-OG 2.96Å; D442-S445 WeakPolarHBondContact OD1-CB 3.25Å; D442-S445 PolarHBondContact OD1-N 3.34Å; D442-S445 PolarHBondContact OD1-OG 3.03Å
446R92.6Very high88.1Confident100 Ų10064.1 Ų64.138%0.37735%0.353SS..SBendtrans-59.1143.9-178.872.7-175.5178.8136.8-1112.1N404 V438 D442 A443 T448N404-R446 VanDerWaalsContact CB-O 3.31Å; N404-R446 WeakPolarHBondContact CB-O 2.85Å; N404-R446 PolarHBondContact ND2-O 2.96Å; V438-R446 WeakPolarHBondContact O-CA 3.18Å; D442-R446 PolarHBondContact O-N 3.39Å; A443-R446 WeakPolarHBondContact O-CG 3Å; R446-T448 HydrophobicContact CG-CG2 4.4Å; R446-T448 PolarHBondContact O-N 2.91Å
447T95.8Very high88.1Confident3 Ų360.1 Ų60.12%0.01833%0.333CS..  trans-60.5128.9171.4-56.40000109.3L406 Q434 F437 V438 V469L406-T447 HydrophobicContact CB-CG2 3.92Å; Q434-T447 PolarHBondContact OE1-OG1 3.35Å; F437-T447 HydrophobicContact CD2-CG2 4.43Å; F437-T447 HydrophobicContact CE2-CG2 4.17Å; F437-T447 HydrophobicContact CZ-CG2 4.4Å; V438-T447 PolarHBondContact N-OG1 2.93Å; V438-T447 PolarHBondContact O-N 2.98Å; T447-V469 HydrophobicContact CG2-CG1 4.37Å; T447-V469 WeakPolarHBondContact O-CG2 3.39Å
448T95.8Very high88.2Confident19 Ų1962.4 Ų62.412%0.11736%0.359CS..  trans-109.7-33.9-178.657.90000112N404 R446 F470N404-T448 HydrophobicContact CB-CG2 4.44Å; N404-T448 PolarHBondContact N-OG1 3.27Å; N404-T448 PolarHBondContact O-N 3.28Å; N404-T448 PolarHBondContact O-OG1 3.22Å; R446-T448 HydrophobicContact CG-CG2 4.4Å; R446-T448 PolarHBondContact O-N 2.91Å; T448-F470 PolarHBondContact O-N 2.94Å
449H97.5Very high88.4Confident0 Ų064 Ų640%036%0.362CS..EExtended strand (participates in β ladder)trans-132.5136.7-176.6-61.868.8000110.6V403 N404 I405 L406 F470 W476 R486 E489V403-H449 WeakPolarHBondContact CG1-ND1 3.08Å; N404-H449 PolarHBondContact O-N 2.8Å; I405-H449 HydrophobicContact CG1-CB 4.4Å; L406-H449 PolarHBondContact N-O 2.98Å; H449-F470 CarbonylContact C-O 3.54Å; H449-F470 WeakPolarHBondContact CA-O 3.44Å; H449-F470 AromaticContact CE1-CD2 3.89Å; H449-F470 AromaticContact NE2-CD2 3.66Å; H449-W476 AromaticContact CD2-CH2 3.46Å; H449-W476 VanDerWaalsContact CD2-CH2 3.46Å; H449-W476 WeakPolarHBondContact CD2-CH2 3.36Å; H449-W476 AromaticContact CD2-CZ2 3.62Å; H449-W476 AromaticContact CD2-CZ3 3.93Å; H449-W476 AromaticContact NE2-CH2 3.61Å; H449-W476 AromaticContact NE2-CZ2 3.49Å; H449-W476 WeakPolarHBondContact NE2-CZ2 3.17Å; H449-R486 PolarHBondContact CE1-NH2 3.19Å; H449-R486 PolarHBondContact NE2-NH2 3.15Å; H449-E489 IonicContact CE1-OE1 3.89Å; H449-E489 IonicContact NE2-OE1 3.06Å; H449-E489 PolarHBondContact NE2-OE1 3.42Å
450L97.2Very high88.9Confident0 Ų058.6 Ų58.60%034%0.337CS..EExtended strand (participates in β ladder)trans-109.8108.2165.8-175.876.1000108.3L406 A452 K459 V460 A463 V469 F470 I471 V472L406-L450 HydrophobicContact CB-CD1 4Å; L406-L450 HydrophobicContact CD2-CD1 3.85Å; L406-L450 HydrophobicContact CG-CD1 3.85Å; L406-L450 WeakPolarHBondContact O-CA 3.23Å; L450-A452 HydrophobicContact CG-CB 4.42Å; L450-K459 HydrophobicContact CD1-CB 3.97Å; L450-K459 HydrophobicContact CD2-CB 4.44Å; L450-K459 WeakPolarHBondContact CD2-O 3.49Å; L450-V460 VanDerWaalsContact CD2-CA 3.42Å; L450-V460 HydrophobicContact CD2-CB 4.06Å; L450-V460 HydrophobicContact CD2-CG2 3.53Å; L450-A463 HydrophobicContact CB-CB 4.31Å; L450-A463 HydrophobicContact CD2-CB 3.77Å; L450-V469 HydrophobicContact CB-CG1 3.99Å; L450-F470 PolarHBondContact N-O 3.07Å; L450-I471 HydrophobicContact CD2-CG2 4.47Å; L450-V472 PolarHBondContact O-N 3.41Å
451V96.5Very high89.9Confident0 Ų056.9 Ų56.90%032%0.322CS..EExtended strand (participates in β ladder)trans-90.9114174.8-176.70000108.2I405 L406 F407 S408 V410 I422 V472 P474 V477I405-V451 HydrophobicContact CG2-CB 4.39Å; I405-V451 HydrophobicContact CG2-CG2 3.78Å; L406-V451 PolarHBondContact O-N 3.12Å; F407-V451 WeakPolarHBondContact CA-O 3.47Å; F407-V451 HydrophobicContact CD1-CB 3.8Å; F407-V451 HydrophobicContact CD1-CG1 4.15Å; F407-V451 HydrophobicContact CE1-CB 3.93Å; F407-V451 HydrophobicContact CE1-CG1 4.1Å; F407-V451 HydrophobicContact CE1-CG2 4.31Å; S408-V451 PolarHBondContact N-O 2.71Å; V410-V451 HydrophobicContact CG2-CG1 4.18Å; V410-V451 WeakPolarHBondContact CG2-O 3.2Å; I422-V451 HydrophobicContact CD1-CG1 4.49Å; V451-V472 WeakPolarHBondContact CA-O 3.47Å; V451-V472 HydrophobicContact CG2-CG2 3.93Å; V451-P474 HydrophobicContact CG1-CB 4.4Å; V451-P474 HydrophobicContact CG1-CG 4.19Å; V451-V477 HydrophobicContact CG1-CG2 4.28Å; V451-V477 HydrophobicContact CG2-CG2 3.97Å
452A94.2Very high91.1Very high0 Ų058 Ų580%031%0.314CS..EExtended strand (participates in β ladder)trans-137.4153.1-168.400000113S408 L450 V460 V472 P474 L494S408-A452 VanDerWaalsContact O-CA 3.29Å; S408-A452 WeakPolarHBondContact O-CA 3.32Å; L450-A452 HydrophobicContact CG-CB 4.42Å; A452-V460 HydrophobicContact CB-CG2 3.76Å; A452-V472 PolarHBondContact N-O 2.86Å; A452-P474 WeakPolarHBondContact O-CD 3.31Å; A452-L494 HydrophobicContact CB-CD1 4.35Å; A452-L494 HydrophobicContact CB-CD2 3.71Å; A452-L494 WeakPolarHBondContact O-CD1 3.36Å
453V91.6Very high91.7Very high45 Ų4553.3 Ų53.327%0.27329%0.289SS..SBendtrans-114.9-4.7175.4-670000113.5S408 G409 V410 P474 Y498S408-V453 PolarHBondContact O-N 2.72Å; G409-V453 WeakPolarHBondContact O-CG2 3.47Å; V410-V453 HydrophobicContact CG2-CG1 4.17Å; V453-P474 HydrophobicContact CG1-CG 3.58Å; V453-Y498 HydrophobicContact CG1-CD1 4.44Å; V453-Y498 HydrophobicContact CG1-CE1 4.07Å
454R89.2Confident92.5Very high177 Ų17755 Ų5567%0.66828%0.284SS*.  trans-138.2128.7-178.3-67.8176.9-170.81742.5110.5N456 T457 V460R454-N456 VanDerWaalsContact C-N 3.31Å; R454-N456 PolarHBondContact O-N 3.4Å; R454-T457 HydrophobicContact CB-CG2 3.95Å; R454-V460 WeakPolarHBondContact O-CG2 3.49Å
455A85.4Confident92.9Very high22 Ų2257.7 Ų57.718%0.18229%0.291CS..THydrogen-bonded Turntrans-71.1-15.6-173.700000115.7V460 L494A455-V460 WeakPolarHBondContact O-CG1 3.21Å; A455-L494 HydrophobicContact CB-CD2 4.43Å
456N88.7Confident92.9Very high143 Ų14357.9 Ų57.977%0.76529%0.289SS*.THydrogen-bonded Turntrans-11623.6-170.2-65.9-33000114.3R454R454-N456 VanDerWaalsContact C-N 3.31Å; R454-N456 PolarHBondContact O-N 3.4Å
457T90.8Very high92.8Very high32 Ų3256.4 Ų56.420%0.19631%0.305CS..SBendtrans-77.6154174.774.80000110.5S408 R454 K459 V460 L461S408-T457 WeakPolarHBondContact OG-CB 3.32Å; S408-T457 WeakPolarHBondContact OG-CG2 3.36Å; S408-T457 PolarHBondContact OG-OG1 3.18Å; R454-T457 HydrophobicContact CB-CG2 3.95Å; T457-K459 PolarHBondContact O-N 2.89Å; T457-V460 PolarHBondContact O-N 3.41Å; T457-V460 WeakPolarHBondContact OG1-CG2 3.42Å; T457-V460 PolarHBondContact OG1-N 3.15Å; T457-V460 VanDerWaalsContact OG1-N 3.16Å; T457-L461 WeakPolarHBondContact O-CG 3.17Å; T457-L461 PolarHBondContact O-N 3.47Å
458A92.3Very high92.6Very high84 Ų8460.3 Ų60.369%0.69433%0.325SS*.Hα-helixtrans-54.1-36.5174.800000112.4M462A458-M462 VanDerWaalsContact O-CB 3.31Å; A458-M462 WeakPolarHBondContact O-CB 3.46Å; A458-M462 PolarHBondContact O-N 3.29Å
459K93.3Very high92.5Very high78 Ų7860 Ų6034%0.33932%0.324SS..Hα-helixtrans-65.6-41.3176.6-68179.4170.8-177.90112.2L406 F407 L450 T457 M462 A463L406-K459 HydrophobicContact CD2-CD 4.12Å; L406-K459 HydrophobicContact CD2-CG 4.38Å; L406-K459 HydrophobicContact CG-CD 4.24Å; F407-K459 WeakPolarHBondContact O-CD 3.41Å; F407-K459 PolarHBondContact O-NZ 2.79Å; L450-K459 HydrophobicContact CD1-CB 3.97Å; L450-K459 HydrophobicContact CD2-CB 4.44Å; L450-K459 WeakPolarHBondContact CD2-O 3.49Å; T457-K459 PolarHBondContact O-N 2.89Å; K459-M462 PolarHBondContact O-N 3.29Å; K459-A463 PolarHBondContact O-N 3.13Å
460V94.4Very high92.5Very high0 Ų064.7 Ų64.70%034%0.344CS..Hα-helixtrans-66.9-48177.3173.70000111.1L450 A452 R454 A455 T457 M462 A463 Q464 I471 L494L450-V460 VanDerWaalsContact CD2-CA 3.42Å; L450-V460 HydrophobicContact CD2-CB 4.06Å; L450-V460 HydrophobicContact CD2-CG2 3.53Å; A452-V460 HydrophobicContact CB-CG2 3.76Å; R454-V460 WeakPolarHBondContact O-CG2 3.49Å; A455-V460 WeakPolarHBondContact O-CG1 3.21Å; T457-V460 PolarHBondContact O-N 3.41Å; T457-V460 WeakPolarHBondContact OG1-CG2 3.42Å; T457-V460 PolarHBondContact OG1-N 3.15Å; T457-V460 VanDerWaalsContact OG1-N 3.16Å; V460-M462 PolarHBondContact O-N 2.7Å; V460-A463 PolarHBondContact O-N 3.04Å; V460-A463 VanDerWaalsContact O-N 3.17Å; V460-Q464 HydrophobicContact CG1-CG 4.35Å; V460-Q464 WeakPolarHBondContact O-CG 3.37Å; V460-Q464 PolarHBondContact O-N 3.35Å; V460-I471 HydrophobicContact CG1-CD1 4.46Å; V460-I471 HydrophobicContact CG1-CG2 4.41Å; V460-L494 HydrophobicContact CG1-CD2 4.09Å; V460-L494 HydrophobicContact CG2-CD2 3.8Å
461L93.9Very high92.5Very high90 Ų9066.6 Ų66.647%0.47135%0.354SS..Hα-helixtrans-59.8-37.4177.8-63.6175.3000111.7T457 K465T457-L461 WeakPolarHBondContact O-CG 3.17Å; T457-L461 PolarHBondContact O-N 3.47Å; L461-K465 WeakPolarHBondContact O-CB 3.45Å; L461-K465 PolarHBondContact O-N 3.45Å; L461-K465 VanDerWaalsContact O-N 3.09Å
462M93Very high92.5Very high76 Ų7666.6 Ų66.637%0.37435%0.354SS..Hα-helixtrans-65.7-47.7174.6-175.4173.4-173.600112.2F437 A458 K459 V460 Q464 K465 L466F437-M462 HydrophobicContact CB-CE 4.07Å; F437-M462 HydrophobicContact CB-SD 3.95Å; F437-M462 HydrophobicContact CD1-CE 3.89Å; F437-M462 HydrophobicContact CD1-SD 4.43Å; F437-M462 HydrophobicContact CD2-CG 4.44Å; F437-M462 HydrophobicContact CD2-SD 4.24Å; F437-M462 HydrophobicContact CG-CE 3.96Å; F437-M462 HydrophobicContact CG-SD 3.94Å; A458-M462 VanDerWaalsContact O-CB 3.31Å; A458-M462 WeakPolarHBondContact O-CB 3.46Å; A458-M462 PolarHBondContact O-N 3.29Å; K459-M462 PolarHBondContact O-N 3.29Å; V460-M462 PolarHBondContact O-N 2.7Å; M462-Q464 VanDerWaalsContact C-N 3.32Å; M462-Q464 PolarHBondContact O-N 2.99Å; M462-K465 WeakPolarHBondContact O-CB 3.37Å; M462-K465 PolarHBondContact O-N 3.23Å; M462-L466 HydrophobicContact CG-CD1 4.27Å; M462-L466 WeakPolarHBondContact O-CG 3.38Å; M462-L466 PolarHBondContact O-N 3.32Å
463A93.9Very high92.6Very high1 Ų167.2 Ų67.21%0.00836%0.357CS..Hα-helixtrans-60.6-41177.300000112.1F437 L450 K459 V460 K465 L466 G467 V469 I471F437-A463 HydrophobicContact CE2-CB 4.14Å; L450-A463 HydrophobicContact CB-CB 4.31Å; L450-A463 HydrophobicContact CD2-CB 3.77Å; K459-A463 PolarHBondContact O-N 3.13Å; V460-A463 PolarHBondContact O-N 3.04Å; V460-A463 VanDerWaalsContact O-N 3.17Å; A463-K465 VanDerWaalsContact C-N 3.35Å; A463-K465 PolarHBondContact O-N 2.83Å; A463-L466 PolarHBondContact O-N 3.18Å; A463-G467 PolarHBondContact O-N 3.28Å; A463-G467 VanDerWaalsContact O-N 3.11Å; A463-V469 HydrophobicContact CB-CB 4.19Å; A463-V469 HydrophobicContact CB-CG1 4.08Å; A463-I471 HydrophobicContact CB-CD1 3.85Å; A463-I471 HydrophobicContact CB-CG1 3.91Å
464Q93.7Very high92.7Very high111 Ų11165.4 Ų65.452%0.51935%0.346SS..Hα-helixtrans-61.2-42.6175.7-73.5175.7-20.600112V460 M462 L466 G467 I471V460-Q464 HydrophobicContact CG1-CG 4.35Å; V460-Q464 WeakPolarHBondContact O-CG 3.37Å; V460-Q464 PolarHBondContact O-N 3.35Å; M462-Q464 VanDerWaalsContact C-N 3.32Å; M462-Q464 PolarHBondContact O-N 2.99Å; Q464-L466 PolarHBondContact O-N 2.62Å; Q464-G467 PolarHBondContact O-N 2.83Å; Q464-I471 HydrophobicContact CB-CD1 4.36Å; Q464-I471 HydrophobicContact CG-CD1 3.42Å; Q464-I471 VanDerWaalsContact CG-CD1 3.42Å
465K92.8Very high92.8Very high191 Ų19157.4 Ų57.483%0.8332%0.317SS*.Hα-helixtrans-61.9-34.5177.9-175.1-177.5175.8-171.40112.3L461 M462 A463L461-K465 WeakPolarHBondContact O-CB 3.45Å; L461-K465 PolarHBondContact O-N 3.45Å; L461-K465 VanDerWaalsContact O-N 3.09Å; M462-K465 WeakPolarHBondContact O-CB 3.37Å; M462-K465 PolarHBondContact O-N 3.23Å; A463-K465 VanDerWaalsContact C-N 3.35Å; A463-K465 PolarHBondContact O-N 2.83Å
466L89.2Confident93.3Very high44 Ų4456.3 Ų56.323%0.2331%0.308CS..Hα-helixtrans-79.6-31.2-178.2-68.5168.3000113.1F437 E439 M462 A463 Q464 N468F437-L466 HydrophobicContact CD1-CD1 3.96Å; F437-L466 HydrophobicContact CE1-CD1 3.05Å; F437-L466 HydrophobicContact CE2-CD1 4.03Å; F437-L466 HydrophobicContact CZ-CD1 3.08Å; F437-L466 HydrophobicContact CZ-CG 4.47Å; E439-L466 VanDerWaalsContact CD-CD2 3.5Å; E439-L466 HydrophobicContact CG-CD1 4.34Å; E439-L466 HydrophobicContact CG-CD2 3.82Å; E439-L466 VanDerWaalsContact OE1-CD2 3.22Å; E439-L466 WeakPolarHBondContact OE1-CD2 3.42Å; M462-L466 HydrophobicContact CG-CD1 4.27Å; M462-L466 WeakPolarHBondContact O-CG 3.38Å; M462-L466 PolarHBondContact O-N 3.32Å; A463-L466 PolarHBondContact O-N 3.18Å; Q464-L466 PolarHBondContact O-N 2.62Å; L466-N468 WeakPolarHBondContact CB-OD1 3.42Å; L466-N468 PolarHBondContact O-N 3.47Å
467G90Very high93.6Very high69 Ų6949.5 Ų49.571%0.71127%0.272SS*.SBendtrans68.8-0.6173.100000115.7A463 Q464A463-G467 PolarHBondContact O-N 3.28Å; A463-G467 VanDerWaalsContact O-N 3.11Å; Q464-G467 PolarHBondContact O-N 2.83Å
468N91.1Very high93.6Very high84 Ų8449 Ų4945%0.44927%0.266SS..SBendtrans-115.714.6-179.269.8-15.4000113.4L466L466-N468 WeakPolarHBondContact CB-OD1 3.42Å; L466-N468 PolarHBondContact O-N 3.47Å
469V94.8Very high93.6Very high14 Ų1445.8 Ų45.89%0.08524%0.238CC..SBendtrans-119.2129.1177.7174.30000109.3F437 T447 L450 A463 I471F437-V469 HydrophobicContact CE2-CG2 4.17Å; F437-V469 HydrophobicContact CZ-CB 4.47Å; F437-V469 HydrophobicContact CZ-CG2 3.54Å; T447-V469 HydrophobicContact CG2-CG1 4.37Å; T447-V469 WeakPolarHBondContact O-CG2 3.39Å; L450-V469 HydrophobicContact CB-CG1 3.99Å; A463-V469 HydrophobicContact CB-CB 4.19Å; A463-V469 HydrophobicContact CB-CG1 4.08Å; V469-I471 PolarHBondContact O-N 3.3Å
470F97Very high93.6Very high97 Ų9742 Ų4243%0.42522%0.222SC..EExtended strand (participates in β ladder)trans-70.9125.2174.2-64.3-72.6000109.8T448 H449 L450 V472 E489T448-F470 PolarHBondContact O-N 2.94Å; H449-F470 CarbonylContact C-O 3.54Å; H449-F470 WeakPolarHBondContact CA-O 3.44Å; H449-F470 AromaticContact CE1-CD2 3.89Å; H449-F470 AromaticContact NE2-CD2 3.66Å; L450-F470 PolarHBondContact N-O 3.07Å; F470-V472 HydrophobicContact CB-CG1 4.48Å; F470-E489 HydrophobicContact CB-CB 4.09Å; F470-E489 HydrophobicContact CB-CG 3.88Å; F470-E489 HydrophobicContact CD1-CB 3.67Å; F470-E489 HydrophobicContact CD1-CG 3.86Å; F470-E489 HydrophobicContact CD2-CG 4.09Å; F470-E489 HydrophobicContact CE1-CB 4.29Å; F470-E489 HydrophobicContact CE1-CG 4.41Å; F470-E489 HydrophobicContact CG-CB 3.95Å; F470-E489 HydrophobicContact CG-CG 3.68Å
471I96.7Very high93.5Very high40 Ų4042.7 Ų42.721%0.20523%0.226CC..EExtended strand (participates in β ladder)trans-105.7106.1177.6-56172.7000107.4L450 V460 A463 Q464 V469 L494L450-I471 HydrophobicContact CD2-CG2 4.47Å; V460-I471 HydrophobicContact CG1-CD1 4.46Å; V460-I471 HydrophobicContact CG1-CG2 4.41Å; A463-I471 HydrophobicContact CB-CD1 3.85Å; A463-I471 HydrophobicContact CB-CG1 3.91Å; Q464-I471 HydrophobicContact CB-CD1 4.36Å; Q464-I471 HydrophobicContact CG-CD1 3.42Å; Q464-I471 VanDerWaalsContact CG-CD1 3.42Å; V469-I471 PolarHBondContact O-N 3.3Å; I471-L494 HydrophobicContact CG2-CB 3.86Å; I471-L494 HydrophobicContact CG2-CD2 3.77Å
472V96.9Very high93.3Very high1 Ų139.5 Ų39.51%0.00621%0.209CC..EExtended strand (participates in β ladder)trans-124153.1-173.7-62.20000111.6L450 V451 A452 F470 W476 E489 F492L450-V472 PolarHBondContact O-N 3.41Å; V451-V472 WeakPolarHBondContact CA-O 3.47Å; V451-V472 HydrophobicContact CG2-CG2 3.93Å; A452-V472 PolarHBondContact N-O 2.86Å; F470-V472 HydrophobicContact CB-CG1 4.48Å; V472-W476 HydrophobicContact CB-CB 3.9Å; V472-W476 HydrophobicContact CB-CG 4.18Å; V472-W476 HydrophobicContact CG1-CB 4.39Å; V472-W476 HydrophobicContact CG1-CG 4.23Å; V472-W476 HydrophobicContact CG2-CB 3.94Å; V472-W476 HydrophobicContact CG2-CD2 4.03Å; V472-W476 HydrophobicContact CG2-CE3 3.91Å; V472-W476 HydrophobicContact CG2-CG 4.06Å; V472-E489 HydrophobicContact CG1-CB 3.79Å; V472-E489 HydrophobicContact CG1-CG 4.23Å; V472-F492 CarbonylContact C-O 3.6Å; V472-F492 VanDerWaalsContact CA-O 3.23Å; V472-F492 WeakPolarHBondContact CA-O 3.41Å; V472-F492 HydrophobicContact CB-CB 4.48Å
473N94.9Very high93.2Very high12 Ų1240.5 Ų40.56%0.06421%0.208CC..  trans-78.6164167.772.146.4000111D475 W476 F492 P493 Y498N473-D475 PolarHBondContact O-N 3.44Å; N473-D475 VanDerWaalsContact O-N 3.16Å; N473-D475 WeakPolarHBondContact OD1-CA 3.33Å; N473-D475 WeakPolarHBondContact OD1-CB 3.22Å; N473-D475 PolarHBondContact OD1-N 3.31Å; N473-W476 WeakPolarHBondContact O-CB 3.42Å; N473-W476 PolarHBondContact O-N 3.12Å; N473-F492 PolarHBondContact N-O 2.94Å; N473-F492 PolarHBondContact ND2-O 2.69Å; N473-P493 PolarHBondContact ND2-O 2.88Å; N473-Y498 HydrophobicContact CB-CD1 4.28Å; N473-Y498 HydrophobicContact CB-CD2 3.64Å; N473-Y498 HydrophobicContact CB-CE1 4.18Å; N473-Y498 HydrophobicContact CB-CE2 3.54Å; N473-Y498 HydrophobicContact CB-CG 4.01Å
474P93.9Very high93.2Very high8 Ų842 Ų425%0.05221%0.214CC..THydrogen-bonded Turntrans-56.6-23.4178.9-28.834.4000116.3V410 I422 V451 A452 V453 W476 V477 W478 Y498V410-P474 HydrophobicContact CG2-CG 4.24Å; I422-P474 HydrophobicContact CD1-CB 4.31Å; V451-P474 HydrophobicContact CG1-CB 4.4Å; V451-P474 HydrophobicContact CG1-CG 4.19Å; A452-P474 WeakPolarHBondContact O-CD 3.31Å; V453-P474 HydrophobicContact CG1-CG 3.58Å; P474-W476 PolarHBondContact O-N 3.4Å; P474-V477 WeakPolarHBondContact O-CB 3.49Å; P474-V477 PolarHBondContact O-N 3.11Å; P474-W478 PolarHBondContact O-N 2.98Å; P474-Y498 WeakPolarHBondContact CD-OH 3.42Å; P474-Y498 HydrophobicContact CG-CE1 4.24Å
475D92Very high93.2Very high8 Ų839.7 Ų39.74%0.04321%0.21CC..Hα-helixtrans-64.7-25.3-178.4-61.9-1.8000111.4N473 V477 W478 C479 F492 Y498 S501 F502N473-D475 PolarHBondContact O-N 3.44Å; N473-D475 VanDerWaalsContact O-N 3.16Å; N473-D475 WeakPolarHBondContact OD1-CA 3.33Å; N473-D475 WeakPolarHBondContact OD1-CB 3.22Å; N473-D475 PolarHBondContact OD1-N 3.31Å; D475-V477 VanDerWaalsContact C-N 3.33Å; D475-V477 PolarHBondContact O-N 3.17Å; D475-W478 PolarHBondContact O-N 3.26Å; D475-C479 VanDerWaalsContact O-CB 3.25Å; D475-C479 WeakPolarHBondContact O-CB 3.46Å; D475-C479 PolarHBondContact O-N 3.27Å; D475-F492 HydrophobicContact CB-CD1 3.75Å; D475-F492 HydrophobicContact CB-CE1 3.97Å; D475-Y498 PolarHBondContact OD1-OH 3.02Å; D475-S501 PolarHBondContact OD1-N 3.22Å; D475-S501 VanDerWaalsContact OD2-CB 3.25Å; D475-S501 WeakPolarHBondContact OD2-CB 3.48Å; D475-S501 PolarHBondContact OD2-N 3.07Å; D475-S501 VanDerWaalsContact OD2-N 3.15Å; D475-S501 PolarHBondContact OD2-OG 2.74Å; D475-F502 HydrophobicContact CB-CD2 4.09Å; D475-F502 HydrophobicContact CB-CE2 3.9Å
476W95.6Very high93.4Very high0 Ų035.5 Ų35.50%019%0.189CC..Hα-helixtrans-57.2-46.3170.8178.676.3000112L400 V403 I405 H449 V472 N473 P474 C479 C480 R486 V487 E489 F492L400-W476 HydrophobicContact CD2-CH2 4.02Å; L400-W476 HydrophobicContact CD2-CZ2 4.42Å; V403-W476 HydrophobicContact CG1-CH2 3.92Å; I405-W476 HydrophobicContact CD1-CZ3 4.25Å; H449-W476 AromaticContact CD2-CH2 3.46Å; H449-W476 VanDerWaalsContact CD2-CH2 3.46Å; H449-W476 WeakPolarHBondContact CD2-CH2 3.36Å; H449-W476 AromaticContact CD2-CZ2 3.62Å; H449-W476 AromaticContact CD2-CZ3 3.93Å; H449-W476 AromaticContact NE2-CH2 3.61Å; H449-W476 AromaticContact NE2-CZ2 3.49Å; H449-W476 WeakPolarHBondContact NE2-CZ2 3.17Å; V472-W476 HydrophobicContact CB-CB 3.9Å; V472-W476 HydrophobicContact CB-CG 4.18Å; V472-W476 HydrophobicContact CG1-CB 4.39Å; V472-W476 HydrophobicContact CG1-CG 4.23Å; V472-W476 HydrophobicContact CG2-CB 3.94Å; V472-W476 HydrophobicContact CG2-CD2 4.03Å; V472-W476 HydrophobicContact CG2-CE3 3.91Å; V472-W476 HydrophobicContact CG2-CG 4.06Å; N473-W476 WeakPolarHBondContact O-CB 3.42Å; N473-W476 PolarHBondContact O-N 3.12Å; P474-W476 PolarHBondContact O-N 3.4Å; W476-C479 PolarHBondContact O-N 3.29Å; W476-C480 PolarHBondContact O-N 3.46Å; W476-C480 PolarHBondContact O-SG 3.32Å; W476-R486 HydrophobicContact CZ2-CG 4.11Å; W476-V487 PolarHBondContact NE1-O 3.07Å; W476-E489 HydrophobicContact CZ2-CG 4.24Å; W476-F492 HydrophobicContact CB-CB 3.64Å; W476-F492 HydrophobicContact CB-CD1 4.35Å; W476-F492 HydrophobicContact CB-CD2 4Å; W476-F492 HydrophobicContact CB-CG 3.73Å; W476-F492 AromaticContact CD1-CD2 3.71Å; W476-F492 HydrophobicContact CG-CB 4.44Å; W476-F492 HydrophobicContact CG-CD2 4.28Å; W476-F492 HydrophobicContact CG-CG 4.46Å
477V95.1Very high93.6Very high0 Ų034.3 Ų34.30%018%0.183CC..Hα-helixtrans-62.6-48.8179.1169.60000109.9I422 V426 V451 P474 D475 C479 C480 V481I422-V477 HydrophobicContact CD1-CB 4.29Å; I422-V477 HydrophobicContact CD1-CG1 4.25Å; I422-V477 HydrophobicContact CD1-CG2 4.27Å; I422-V477 HydrophobicContact CG1-CG1 3.95Å; V426-V477 HydrophobicContact CG1-CB 4.34Å; V426-V477 HydrophobicContact CG1-CG1 3.37Å; V426-V477 HydrophobicContact CG1-CG2 3.99Å; V451-V477 HydrophobicContact CG1-CG2 4.28Å; V451-V477 HydrophobicContact CG2-CG2 3.97Å; P474-V477 WeakPolarHBondContact O-CB 3.49Å; P474-V477 PolarHBondContact O-N 3.11Å; D475-V477 VanDerWaalsContact C-N 3.33Å; D475-V477 PolarHBondContact O-N 3.17Å; V477-C479 VanDerWaalsContact C-N 3.34Å; V477-C479 PolarHBondContact O-N 3.22Å; V477-C480 PolarHBondContact O-N 3.34Å; V477-V481 HydrophobicContact CG1-CG2 4.32Å; V477-V481 WeakPolarHBondContact O-CB 3.34Å; V477-V481 WeakPolarHBondContact O-CG2 3.48Å; V477-V481 PolarHBondContact O-N 3.44Å
478W91.4Very high93.9Very high20 Ų2035.2 Ų35.28%0.07617%0.172CC..Hα-helixtrans-66.1-37.6-176.8-59.6124.8000112.2N421 I422 V425 P474 D475 V481 E482 F502N421-W478 WeakPolarHBondContact ND2-CH2 3.48Å; I422-W478 HydrophobicContact CB-CH2 4.18Å; I422-W478 HydrophobicContact CB-CZ2 4.02Å; I422-W478 HydrophobicContact CD1-CZ2 4.2Å; I422-W478 HydrophobicContact CG1-CH2 4.26Å; I422-W478 HydrophobicContact CG1-CZ2 3.99Å; V425-W478 HydrophobicContact CB-CZ3 4.28Å; V425-W478 HydrophobicContact CG1-CZ3 4.07Å; V425-W478 HydrophobicContact CG2-CH2 4.48Å; V425-W478 HydrophobicContact CG2-CZ3 4.12Å; P474-W478 PolarHBondContact O-N 2.98Å; D475-W478 PolarHBondContact O-N 3.26Å; W478-V481 PolarHBondContact O-N 3.5Å; W478-E482 VanDerWaalsContact O-CB 3.3Å; W478-E482 WeakPolarHBondContact O-CB 3.23Å; W478-E482 PolarHBondContact O-N 2.99Å; W478-F502 HydrophobicContact CB-CD2 3.6Å; W478-F502 HydrophobicContact CB-CE2 3.77Å; W478-F502 HydrophobicContact CB-CG 4.08Å; W478-F502 HydrophobicContact CB-CZ 4.38Å; W478-F502 AromaticContact CD1-CD2 3.75Å; W478-F502 HydrophobicContact CG-CB 4.35Å; W478-F502 AromaticContact CG-CD2 3.96Å; W478-F502 HydrophobicContact CG-CD2 3.96Å; W478-F502 HydrophobicContact CG-CG 4.26Å
479C91.9Very high94.2Very high17 Ų1732.3 Ų32.312%0.11516%0.156CC..Hα-helixtrans-65.6-42.8174.1-168.80000111.7D475 W476 V477 V481 E482 R483 V487 F492D475-C479 VanDerWaalsContact O-CB 3.25Å; D475-C479 WeakPolarHBondContact O-CB 3.46Å; D475-C479 PolarHBondContact O-N 3.27Å; W476-C479 PolarHBondContact O-N 3.29Å; V477-C479 VanDerWaalsContact C-N 3.34Å; V477-C479 PolarHBondContact O-N 3.22Å; C479-V481 VanDerWaalsContact C-N 3.3Å; C479-V481 PolarHBondContact O-N 2.93Å; C479-E482 PolarHBondContact O-N 3.16Å; C479-R483 WeakPolarHBondContact O-CB 3.32Å; C479-R483 WeakPolarHBondContact O-CG 3.32Å; C479-R483 PolarHBondContact O-N 2.85Å; C479-R483 PolarHBondContact SG-NE 3.26Å; C479-V487 HydrophobicContact CB-CG2 4.14Å; C479-F492 HydrophobicContact CB-CE1 4.02Å; C479-F492 HydrophobicContact CB-CE2 4.24Å; C479-F492 HydrophobicContact CB-CZ 3.54Å
480C94.1Very high94.2Very high0 Ų035.7 Ų35.70%018%0.18CC..Hα-helixtrans-58.9-44175.4-70.20000112.1L400 W476 V477 W484 S485L400-C480 HydrophobicContact CD2-CB 4.08Å; W476-C480 PolarHBondContact O-N 3.46Å; W476-C480 PolarHBondContact O-SG 3.32Å; V477-C480 PolarHBondContact O-N 3.34Å; C480-W484 VanDerWaalsContact O-CA 3.31Å; C480-W484 WeakPolarHBondContact O-CA 3.41Å; C480-W484 PolarHBondContact O-N 3.12Å; C480-S485 WeakPolarHBondContact CA-O 3.47Å; C480-S485 PolarHBondContact O-N 3.29Å
481V91.6Very high94Very high13 Ų1336.9 Ų36.98%0.07919%0.19CC..Hα-helixtrans-69-38.6-178.8167.20000111.6V425 F429 V477 W478 C479 I507V425-V481 HydrophobicContact CG1-CB 4.14Å; V425-V481 HydrophobicContact CG1-CG1 3.76Å; V425-V481 HydrophobicContact CG1-CG2 3.31Å; F429-V481 HydrophobicContact CD1-CG2 4.39Å; F429-V481 HydrophobicContact CD2-CG1 4.42Å; F429-V481 HydrophobicContact CD2-CG2 3.97Å; F429-V481 HydrophobicContact CE1-CB 4.42Å; F429-V481 HydrophobicContact CE1-CG1 4.48Å; F429-V481 HydrophobicContact CE1-CG2 4.48Å; F429-V481 HydrophobicContact CE2-CB 4.23Å; F429-V481 HydrophobicContact CE2-CG1 3.68Å; F429-V481 HydrophobicContact CE2-CG2 4.05Å; F429-V481 HydrophobicContact CG-CG2 4.14Å; F429-V481 HydrophobicContact CZ-CB 4.12Å; F429-V481 HydrophobicContact CZ-CG1 3.71Å; F429-V481 HydrophobicContact CZ-CG2 4.3Å; F429-V481 WeakPolarHBondContact CZ-O 3.31Å; V477-V481 HydrophobicContact CG1-CG2 4.32Å; V477-V481 WeakPolarHBondContact O-CB 3.34Å; V477-V481 WeakPolarHBondContact O-CG2 3.48Å; V477-V481 PolarHBondContact O-N 3.44Å; W478-V481 PolarHBondContact O-N 3.5Å; C479-V481 VanDerWaalsContact C-N 3.3Å; C479-V481 PolarHBondContact O-N 2.93Å; V481-I507 HydrophobicContact CG1-CD1 4.08Å
482E88.8Confident93.9Very high23 Ų2336.5 Ų36.511%0.10719%0.187CC..Hα-helixtrans-69.7-37.7178.8-172.2168.7171.100111.9R278 Y357 W478 C479 R505R278-E482 WeakPolarHBondContact CD-OE1 3.25Å; R278-E482 IonicContact CZ-OE1 2.77Å; R278-E482 IonicContact NE-OE1 3.66Å; R278-E482 PolarHBondContact NE-OE1 3.03Å; R278-E482 IonicContact NH2-OE1 3.51Å; Y357-E482 HydrophobicContact CD2-CG 3.65Å; Y357-E482 VanDerWaalsContact CD2-OE1 3.26Å; Y357-E482 WeakPolarHBondContact CD2-OE1 3.34Å; Y357-E482 HydrophobicContact CE2-CG 3.39Å; W478-E482 VanDerWaalsContact O-CB 3.3Å; W478-E482 WeakPolarHBondContact O-CB 3.23Å; W478-E482 PolarHBondContact O-N 2.99Å; C479-E482 PolarHBondContact O-N 3.16Å; E482-R505 IonicContact OE1-NH2 3.66Å; E482-R505 IonicContact OE2-CZ 2.72Å; E482-R505 IonicContact OE2-NH1 3.74Å; E482-R505 PolarHBondContact OE2-NH1 3Å; E482-R505 IonicContact OE2-NH2 3.29Å; E482-R505 PolarHBondContact OE2-NH2 3.06Å
483R90.9Very high93.8Very high97 Ų9740.1 Ų40.137%0.36621%0.211SC..Hα-helixtrans-92.2-7.6-177.3-64.1-178.7178.9-130.5-2.5114.6Y360 C479 S485Y360-R483 HydrophobicContact CD1-CG 4.03Å; Y360-R483 HydrophobicContact CD2-CG 4.29Å; Y360-R483 HydrophobicContact CE1-CG 4.45Å; Y360-R483 VanDerWaalsContact CE1-NH1 3.27Å; Y360-R483 HydrophobicContact CG-CG 3.98Å; Y360-R483 PolarHBondContact OH-NH2 3.36Å; C479-R483 WeakPolarHBondContact O-CB 3.32Å; C479-R483 WeakPolarHBondContact O-CG 3.32Å; C479-R483 PolarHBondContact O-N 2.85Å; C479-R483 PolarHBondContact SG-NE 3.26Å; R483-S485 PolarHBondContact O-N 3.39Å
484W94.5Very high93.7Very high32 Ų3240.8 Ų40.812%0.12121%0.214CC..THydrogen-bonded Turntrans44.145-165.8-6726.9000112.1V275 I364 I368 I392 V395 R396 V399 F429 C480V275-W484 HydrophobicContact CG1-CH2 4.42Å; V275-W484 HydrophobicContact CG1-CZ2 4.03Å; V275-W484 HydrophobicContact CG2-CH2 3.93Å; V275-W484 HydrophobicContact CG2-CZ2 4.31Å; I364-W484 HydrophobicContact CD1-CB 4.04Å; I364-W484 HydrophobicContact CD1-CD2 4.28Å; I364-W484 HydrophobicContact CD1-CG 3.75Å; I364-W484 HydrophobicContact CG1-CB 3.89Å; I364-W484 HydrophobicContact CG1-CD2 4.37Å; I364-W484 HydrophobicContact CG1-CG 3.97Å; I364-W484 HydrophobicContact CG2-CD2 3.79Å; I364-W484 HydrophobicContact CG2-CE3 3.59Å; I364-W484 HydrophobicContact CG2-CG 4.28Å; I364-W484 HydrophobicContact CG2-CH2 4.46Å; I364-W484 HydrophobicContact CG2-CZ3 3.95Å; I368-W484 HydrophobicContact CD1-CH2 4.41Å; I368-W484 HydrophobicContact CD1-CZ3 3.96Å; I368-W484 HydrophobicContact CG1-CZ3 4.34Å; I392-W484 HydrophobicContact CG2-CH2 3.68Å; I392-W484 HydrophobicContact CG2-CZ3 4.24Å; V395-W484 HydrophobicContact CB-CZ3 4.44Å; V395-W484 HydrophobicContact CG1-CE3 4.01Å; V395-W484 HydrophobicContact CG1-CZ3 4.11Å; R396-W484 HydrophobicContact CB-CE3 4.38Å; R396-W484 HydrophobicContact CB-CH2 4.04Å; R396-W484 HydrophobicContact CB-CZ2 4.31Å; R396-W484 HydrophobicContact CB-CZ3 4.09Å; R396-W484 HydrophobicContact CG-CZ2 4.47Å; V399-W484 HydrophobicContact CG2-CB 3.92Å; V399-W484 WeakPolarHBondContact CG2-O 3.39Å; F429-W484 HydrophobicContact CE1-CB 4.43Å; F429-W484 AromaticContact CE1-CD1 3.55Å; F429-W484 HydrophobicContact CE1-CD2 4.36Å; F429-W484 AromaticContact CE1-CG 3.87Å; F429-W484 HydrophobicContact CE1-CG 3.87Å; F429-W484 AromaticContact CE1-NE1 3.78Å; F429-W484 AromaticContact CZ-CD1 3.74Å; F429-W484 HydrophobicContact CZ-CG 4.4Å; F429-W484 AromaticContact CZ-NE1 3.53Å; C480-W484 VanDerWaalsContact O-CA 3.31Å; C480-W484 WeakPolarHBondContact O-CA 3.41Å; C480-W484 PolarHBondContact O-N 3.12Å
485S94.4Very high93.3Very high63 Ų6344.1 Ų44.144%0.44123%0.231SC..SBendtrans-149.8138.6-178.8-177.80000109.5C480 R483 V487C480-S485 WeakPolarHBondContact CA-O 3.47Å; C480-S485 PolarHBondContact O-N 3.29Å; R483-S485 PolarHBondContact O-N 3.39Å; S485-V487 PolarHBondContact O-N 3.47Å
486R95.6Very high92.7Very high104 Ų10449.1 Ų49.139%0.39226%0.264SS..  trans-71.3104.7173.2-176.8175.6171.2-170.7-8108.8L400 H449 W476 E489L400-R486 HydrophobicContact CD2-CB 4.48Å; L400-R486 HydrophobicContact CD2-CG 4.46Å; H449-R486 PolarHBondContact CE1-NH2 3.19Å; H449-R486 PolarHBondContact NE2-NH2 3.15Å; W476-R486 HydrophobicContact CZ2-CG 4.11Å; R486-E489 IonicContact CZ-OE1 3.21Å; R486-E489 IonicContact NE-OE1 2.88Å; R486-E489 PolarHBondContact NE-OE1 2.75Å; R486-E489 IonicContact NH2-OE1 2.69Å; R486-E489 PolarHBondContact NH2-OE1 3.09Å
487V94.5Very high92Very high18 Ų1854.2 Ų54.211%0.10930%0.295CS..  trans-79.7156.7178.8-57.90000111.4W476 C479 S485 E489 F492W476-V487 PolarHBondContact NE1-O 3.07Å; C479-V487 HydrophobicContact CB-CG2 4.14Å; S485-V487 PolarHBondContact O-N 3.47Å; V487-E489 PolarHBondContact O-N 3.07Å; V487-F492 HydrophobicContact CB-CE2 4.33Å; V487-F492 HydrophobicContact CG2-CD2 4.07Å; V487-F492 HydrophobicContact CG2-CE2 3.44Å; V487-F492 VanDerWaalsContact CG2-CE2 3.44Å; V487-F492 HydrophobicContact CG2-CZ 4.21Å
488D95.7Very high91.3Very high88 Ų8856.2 Ų56.247%0.47130%0.303SS..  trans-57.9122.9178.7-170.6-34.2000110.9S490 L491D488-S490 PolarHBondContact O-N 2.65Å; D488-S490 VanDerWaalsContact OD1-CB 3.23Å; D488-S490 WeakPolarHBondContact OD1-CB 3.44Å; D488-S490 PolarHBondContact OD1-N 3.44Å; D488-S490 PolarHBondContact OD1-OG 3.42Å; D488-S490 PolarHBondContact OD2-OG 3Å; D488-L491 HydrophobicContact CB-CD1 4.16Å; D488-L491 HydrophobicContact CB-CG 4.2Å; D488-L491 PolarHBondContact O-N 2.66Å
489E97.2Very high90.5Very high24 Ų2464.1 Ų64.111%0.11234%0.338CS..G310 helixtrans-62.8-28.5-178.4-63.282.9177.500112.3H449 F470 V472 W476 R486 V487 L491 F492H449-E489 IonicContact CE1-OE1 3.89Å; H449-E489 IonicContact NE2-OE1 3.06Å; H449-E489 PolarHBondContact NE2-OE1 3.42Å; F470-E489 HydrophobicContact CB-CB 4.09Å; F470-E489 HydrophobicContact CB-CG 3.88Å; F470-E489 HydrophobicContact CD1-CB 3.67Å; F470-E489 HydrophobicContact CD1-CG 3.86Å; F470-E489 HydrophobicContact CD2-CG 4.09Å; F470-E489 HydrophobicContact CE1-CB 4.29Å; F470-E489 HydrophobicContact CE1-CG 4.41Å; F470-E489 HydrophobicContact CG-CB 3.95Å; F470-E489 HydrophobicContact CG-CG 3.68Å; V472-E489 HydrophobicContact CG1-CB 3.79Å; V472-E489 HydrophobicContact CG1-CG 4.23Å; W476-E489 HydrophobicContact CZ2-CG 4.24Å; R486-E489 IonicContact CZ-OE1 3.21Å; R486-E489 IonicContact NE-OE1 2.88Å; R486-E489 PolarHBondContact NE-OE1 2.75Å; R486-E489 IonicContact NH2-OE1 2.69Å; R486-E489 PolarHBondContact NH2-OE1 3.09Å; V487-E489 PolarHBondContact O-N 3.07Å; E489-L491 PolarHBondContact O-N 2.6Å; E489-F492 PolarHBondContact O-N 2.84Å; E489-F492 VanDerWaalsContact O-N 3.11Å
490S95Very high89.6Confident85 Ų8565.7 Ų65.759%0.59435%0.349SS*.G310 helixtrans-66.8-19-178.669.60000113.8D488 F492D488-S490 PolarHBondContact O-N 2.65Å; D488-S490 VanDerWaalsContact OD1-CB 3.23Å; D488-S490 WeakPolarHBondContact OD1-CB 3.44Å; D488-S490 PolarHBondContact OD1-N 3.44Å; D488-S490 PolarHBondContact OD1-OG 3.42Å; D488-S490 PolarHBondContact OD2-OG 3Å; S490-F492 VanDerWaalsContact C-N 3.26Å; S490-F492 PolarHBondContact O-N 2.84Å
491L93.5Very high88.6Confident122 Ų12269.7 Ų69.764%0.63938%0.377SS*.G310 helixtrans-76.6-13.4175.9-61177.1000113D488 E489 P493D488-L491 HydrophobicContact CB-CD1 4.16Å; D488-L491 HydrophobicContact CB-CG 4.2Å; D488-L491 PolarHBondContact O-N 2.66Å; E489-L491 PolarHBondContact O-N 2.6Å; L491-P493 WeakPolarHBondContact O-CD 3.4Å
492F94.5Very high87.2Confident32 Ų3271.2 Ų71.214%0.1438%0.383CS..SBendtrans-127.350.9-173.1-60.3-84.8000112.9V472 N473 D475 W476 C479 V487 E489 S490V472-F492 CarbonylContact C-O 3.6Å; V472-F492 VanDerWaalsContact CA-O 3.23Å; V472-F492 WeakPolarHBondContact CA-O 3.41Å; V472-F492 HydrophobicContact CB-CB 4.48Å; N473-F492 PolarHBondContact N-O 2.94Å; N473-F492 PolarHBondContact ND2-O 2.69Å; D475-F492 HydrophobicContact CB-CD1 3.75Å; D475-F492 HydrophobicContact CB-CE1 3.97Å; W476-F492 HydrophobicContact CB-CB 3.64Å; W476-F492 HydrophobicContact CB-CD1 4.35Å; W476-F492 HydrophobicContact CB-CD2 4Å; W476-F492 HydrophobicContact CB-CG 3.73Å; W476-F492 AromaticContact CD1-CD2 3.71Å; W476-F492 HydrophobicContact CG-CB 4.44Å; W476-F492 HydrophobicContact CG-CD2 4.28Å; W476-F492 HydrophobicContact CG-CG 4.46Å; C479-F492 HydrophobicContact CB-CE1 4.02Å; C479-F492 HydrophobicContact CB-CE2 4.24Å; C479-F492 HydrophobicContact CB-CZ 3.54Å; V487-F492 HydrophobicContact CB-CE2 4.33Å; V487-F492 HydrophobicContact CG2-CD2 4.07Å; V487-F492 HydrophobicContact CG2-CE2 3.44Å; V487-F492 VanDerWaalsContact CG2-CE2 3.44Å; V487-F492 HydrophobicContact CG2-CZ 4.21Å; E489-F492 PolarHBondContact O-N 2.84Å; E489-F492 VanDerWaalsContact O-N 3.11Å; S490-F492 VanDerWaalsContact C-N 3.26Å; S490-F492 PolarHBondContact O-N 2.84Å
493P94.3Very high85.4Confident77 Ų7775.6 Ų75.650%0.541%0.413SS..BIsolated β-bridgetrans-64.8153.6-177.530.7-35.9000111.4N473 L491 D495N473-P493 PolarHBondContact ND2-O 2.88Å; L491-P493 WeakPolarHBondContact O-CD 3.4Å; P493-D495 PolarHBondContact O-N 3.06Å; P493-D495 VanDerWaalsContact O-N 3.1Å
494L92.3Very high83.5Confident25 Ų2573.8 Ų73.813%0.13141%0.411CS..  trans-77.191.9169.8-17861.4000110.7A452 A455 V460 I471A452-L494 HydrophobicContact CB-CD1 4.35Å; A452-L494 HydrophobicContact CB-CD2 3.71Å; A452-L494 WeakPolarHBondContact O-CD1 3.36Å; A455-L494 HydrophobicContact CB-CD2 4.43Å; V460-L494 HydrophobicContact CG1-CD2 4.09Å; V460-L494 HydrophobicContact CG2-CD2 3.8Å; I471-L494 HydrophobicContact CG2-CB 3.86Å; I471-L494 HydrophobicContact CG2-CD2 3.77Å
495D86.2Confident81.6Confident79 Ų7975.7 Ų75.742%0.42242%0.418SS..  trans-80.2136.7172.1-170.4-45.6000110.8P493 T497 Y498P493-D495 PolarHBondContact O-N 3.06Å; P493-D495 VanDerWaalsContact O-N 3.1Å; D495-T497 VanDerWaalsContact CG-OG1 3.27Å; D495-T497 PolarHBondContact O-N 3.35Å; D495-T497 WeakPolarHBondContact OD1-CB 3.4Å; D495-T497 PolarHBondContact OD1-N 3.47Å; D495-T497 PolarHBondContact OD1-OG1 3.32Å; D495-Y498 VanDerWaalsContact O-CB 3.25Å; D495-Y498 WeakPolarHBondContact O-CB 3.22Å; D495-Y498 PolarHBondContact O-N 3.16Å
496P79.3Confident79.1Confident113 Ų11377.3 Ų77.373%0.73443%0.426SS*.THydrogen-bonded Turntrans-50.1-25.1170-27.634000115.9
497T81.7Confident76.5Confident106 Ų10673.3 Ų73.365%0.6541%0.412SS*.THydrogen-bonded Turntrans-100.87.4-17964.70000113.6D495 K499D495-T497 VanDerWaalsContact CG-OG1 3.27Å; D495-T497 PolarHBondContact O-N 3.35Å; D495-T497 WeakPolarHBondContact OD1-CB 3.4Å; D495-T497 PolarHBondContact OD1-N 3.47Å; D495-T497 PolarHBondContact OD1-OG1 3.32Å; T497-K499 PolarHBondContact O-N 2.97Å
498Y80.2Confident73.7Confident43 Ų4375.7 Ų75.717%0.16943%0.426CS..  trans-49.3122.9-176.6171.3-104000112.4V453 N473 P474 D475 D495 S500V453-Y498 HydrophobicContact CG1-CD1 4.44Å; V453-Y498 HydrophobicContact CG1-CE1 4.07Å; N473-Y498 HydrophobicContact CB-CD1 4.28Å; N473-Y498 HydrophobicContact CB-CD2 3.64Å; N473-Y498 HydrophobicContact CB-CE1 4.18Å; N473-Y498 HydrophobicContact CB-CE2 3.54Å; N473-Y498 HydrophobicContact CB-CG 4.01Å; P474-Y498 WeakPolarHBondContact CD-OH 3.42Å; P474-Y498 HydrophobicContact CG-CE1 4.24Å; D475-Y498 PolarHBondContact OD1-OH 3.02Å; D495-Y498 VanDerWaalsContact O-CB 3.25Å; D495-Y498 WeakPolarHBondContact O-CB 3.22Å; D495-Y498 PolarHBondContact O-N 3.16Å; Y498-S500 WeakPolarHBondContact OH-CA 3.29Å
499K75.2Confident70.9Confident185 Ų18573.1 Ų73.180%0.80441%0.412SS*.  trans-118.3132.6164.8-66.1-178.3-178.8179.70106.9T497 S501T497-K499 PolarHBondContact O-N 2.97Å; K499-S501 PolarHBondContact O-N 3.47Å
500S72.4Confident67.8Low51 Ų5177.7 Ų77.736%0.35743%0.433SS..  trans-60.2131-179.6179.70000110.7Y498 F502Y498-S500 WeakPolarHBondContact OH-CA 3.29Å; S500-F502 PolarHBondContact O-N 2.74Å; S500-F502 PolarHBondContact OG-N 3.02Å; S500-F502 PolarHBondContact OG-O 2.95Å; S500-F502 VanDerWaalsContact OG-O 3.07Å
501S72.9Confident64.6Low84 Ų8480.1 Ų80.159%0.58744%0.44SS*.SBendtrans-75.4-12.1169.5-46.80000111.8D475 K499 P503D475-S501 PolarHBondContact OD1-N 3.22Å; D475-S501 VanDerWaalsContact OD2-CB 3.25Å; D475-S501 WeakPolarHBondContact OD2-CB 3.48Å; D475-S501 PolarHBondContact OD2-N 3.07Å; D475-S501 VanDerWaalsContact OD2-N 3.15Å; D475-S501 PolarHBondContact OD2-OG 2.74Å; K499-S501 PolarHBondContact O-N 3.47Å; S501-P503 WeakPolarHBondContact O-CD 3.34Å
502F61.9Low61.8Low45 Ų4581.3 Ų81.320%0.19744%0.442CS..  trans-124.772.4-177.6-54.9-73.3000110.2D475 W478 S500 D504 R505D475-F502 HydrophobicContact CB-CD2 4.09Å; D475-F502 HydrophobicContact CB-CE2 3.9Å; W478-F502 HydrophobicContact CB-CD2 3.6Å; W478-F502 HydrophobicContact CB-CE2 3.77Å; W478-F502 HydrophobicContact CB-CG 4.08Å; W478-F502 HydrophobicContact CB-CZ 4.38Å; W478-F502 AromaticContact CD1-CD2 3.75Å; W478-F502 HydrophobicContact CG-CB 4.35Å; W478-F502 AromaticContact CG-CD2 3.96Å; W478-F502 HydrophobicContact CG-CD2 3.96Å; W478-F502 HydrophobicContact CG-CG 4.26Å; S500-F502 PolarHBondContact O-N 2.74Å; S500-F502 PolarHBondContact OG-N 3.02Å; S500-F502 PolarHBondContact OG-O 2.95Å; S500-F502 VanDerWaalsContact OG-O 3.07Å; F502-D504 PolarHBondContact O-N 3.06Å; F502-R505 HydrophobicContact CB-CG 4.35Å
503P51.9Low58.6Low114 Ų11488.7 Ų88.774%0.7448%0.477SS*.SBendtrans-64.6-20.1-177.924.5-32.3000113.2S501S501-P503 WeakPolarHBondContact O-CD 3.34Å
504D51Low55.2Low60 Ų6091.1 Ų91.132%0.32149%0.494SS..  trans-126.83.5-157.5-112.5-33.4000117.7T302 F502 T506T302-D504 VanDerWaalsContact CA-CG 3.42Å; T302-D504 WeakPolarHBondContact CA-OD1 3.45Å; T302-D504 WeakPolarHBondContact CA-OD2 3.12Å; T302-D504 VanDerWaalsContact CB-CG 3.45Å; T302-D504 WeakPolarHBondContact CB-OD2 3.14Å; T302-D504 HydrophobicContact CG2-CB 4.14Å; T302-D504 WeakPolarHBondContact CG2-OD2 3.34Å; F502-D504 PolarHBondContact O-N 3.06Å; D504-T506 VanDerWaalsContact C-N 3.34Å; D504-T506 PolarHBondContact O-N 3.1Å
505R53.7Low52Low72 Ų7293.4 Ų93.427%0.27252%0.524SS..  trans-77.590.8-174.6-68.5-162-176.4-178.816.3110.7N421 E482 F502N421-R505 PolarHBondContact ND2-O 2.98Å; E482-R505 IonicContact OE1-NH2 3.66Å; E482-R505 IonicContact OE2-CZ 2.72Å; E482-R505 IonicContact OE2-NH1 3.74Å; E482-R505 PolarHBondContact OE2-NH1 3Å; E482-R505 IonicContact OE2-NH2 3.29Å; E482-R505 PolarHBondContact OE2-NH2 3.06Å; F502-R505 HydrophobicContact CB-CG 4.35Å
506T41.3Very low49.1Very low97 Ų9792.6 Ų92.660%0.59553%0.534SS*.  trans-91.1108.7158.9-40.40000107.1N421 D504 T508N421-T506 WeakPolarHBondContact ND2-CA 3.36Å; D504-T506 VanDerWaalsContact C-N 3.34Å; D504-T506 PolarHBondContact O-N 3.1Å; T506-T508 PolarHBondContact O-N 2.92Å
507I42.7Very low46.5Very low20 Ų2096.9 Ų96.910%0.10354%0.541CS..  trans-81.8105162.9-56-167.8000104.1N421 V425 V481 I509N421-I507 PolarHBondContact ND2-N 3.44Å; N421-I507 PolarHBondContact OD1-N 3.13Å; N421-I507 PolarHBondContact OD1-O 3.08Å; N421-I507 VanDerWaalsContact OD1-O 3.09Å; V425-I507 HydrophobicContact CG1-CD1 4.12Å; V425-I507 HydrophobicContact CG2-CB 3.91Å; V425-I507 HydrophobicContact CG2-CD1 3.64Å; V425-I507 HydrophobicContact CG2-CG1 3.93Å; V481-I507 HydrophobicContact CG1-CD1 4.08Å; I507-I509 HydrophobicContact CB-CG1 4.5Å; I507-I509 HydrophobicContact CG2-CD1 4.09Å; I507-I509 HydrophobicContact CG2-CG1 3.67Å; I507-I509 PolarHBondContact O-N 3.1Å
508T34.6Very low43.8Very low68 Ų6897.3 Ų97.342%0.41755%0.549SS..  trans-76.468.9-175.5-39.10000109.6Y270 T506 E510Y270-T508 WeakPolarHBondContact CE1-O 3.49Å; Y270-T508 PolarHBondContact OH-O 2.95Å; T506-T508 PolarHBondContact O-N 2.92Å; T508-E510 PolarHBondContact O-N 3.02Å
509I37.2Very low41.3Very low34 Ų34104.8 Ų104.817%0.17458%0.582CS.*  trans-76123.8170.2-50.7179.8000105.1R424 M428 I507R424-I509 PolarHBondContact NH1-O 3.19Å; R424-I509 VanDerWaalsContact NH2-CB 3.35Å; R424-I509 PolarHBondContact NH2-O 3.32Å; M428-I509 HydrophobicContact CE-CD1 3.73Å; M428-I509 HydrophobicContact SD-CD1 3.63Å; I507-I509 HydrophobicContact CB-CG1 4.5Å; I507-I509 HydrophobicContact CG2-CD1 4.09Å; I507-I509 HydrophobicContact CG2-CG1 3.67Å; I507-I509 PolarHBondContact O-N 3.1Å
510E31.9Very low38.9Very low119 Ų119105.7 Ų105.756%0.55659%0.586SS**  trans-94.8134.1163.7-75.9-166.8159.100108.7T508 H512T508-E510 PolarHBondContact O-N 3.02Å; E510-H512 VanDerWaalsContact C-N 3.29Å; E510-H512 PolarHBondContact O-N 3.02Å
511N28Very low36.6Very low136 Ų136111.6 Ų111.673%0.72761%0.608SS**  trans-70.786.4-179.5-80.5-16.8000109.4R424 Q513R424-N511 PolarHBondContact NH2-OD1 3.17Å; N511-Q513 PolarHBondContact O-N 3.33Å
512H33.8Very low34.4Very low147 Ų147113.6 Ų113.668%0.68162%0.619SS**  trans-89.7103.7163.6-84.2-57.1000110.1E510 C514E510-H512 VanDerWaalsContact C-N 3.29Å; E510-H512 PolarHBondContact O-N 3.02Å; H512-C514 PolarHBondContact O-N 2.84Å; H512-C514 VanDerWaalsContact O-N 3.17Å
513Q27.1Very low32.6Very low188 Ų188116.7 Ų116.788%0.87965%0.652SS**  trans-53.4118.5156.3-78.6175.8-14.700107.7N511 G515N511-Q513 PolarHBondContact O-N 3.33Å; Q513-G515 VanDerWaalsContact C-N 3.32Å; Q513-G515 PolarHBondContact O-N 2.97Å
514C23.9Very low31.2Very low127 Ų127114.2 Ų114.286%0.85865%0.648SS**  trans-58.296172-172.80000108.8H512 G516H512-C514 PolarHBondContact O-N 2.84Å; H512-C514 VanDerWaalsContact O-N 3.17Å; C514-G516 PolarHBondContact O-N 2.81Å
515G24.6Very low29.9Very low74 Ų74123.1 Ų123.176%0.76368%0.677SS**  trans-74.87617000000109.4Q513 K517Q513-G515 VanDerWaalsContact C-N 3.32Å; Q513-G515 PolarHBondContact O-N 2.97Å; G515-K517 PolarHBondContact O-N 3.49Å
516G24.9Very low28.5Very low61 Ų61127.7 Ų127.763%0.62971%0.706SS**  trans-62.996.8172.800000111C514 S518C514-G516 PolarHBondContact O-N 2.81Å; G516-S518 PolarHBondContact O-N 3.44Å
517K26Very low27.6Very low204 Ų204130.2 Ų130.289%0.88772%0.715SS**  trans-89.484.5153.7-75.9-173.9179.9175.20107.7G515 K519G515-K517 PolarHBondContact O-N 3.49Å; K517-K519 PolarHBondContact O-N 2.97Å
518S25.1Very low26.9Very low115 Ų115134.8 Ų134.880%0.80475%0.749SS**  trans-56.6104.1162.9-71.80000109.4G516G516-S518 PolarHBondContact O-N 3.44Å
519K27.3Very low26.5Very low200 Ų200137.4 Ų137.487%0.8777%0.767SS**  trans-82.7107.1152.7-82.2-174.4176.2178.80106.5K517 E521K517-K519 PolarHBondContact O-N 2.97Å; K519-E521 PolarHBondContact O-N 2.89Å; K519-E521 VanDerWaalsContact O-N 3.15Å
520K25Very low25.7Very low204 Ų204140.3 Ų140.389%0.88780%0.796SS**  trans-61.6109.1167.2-75.7-179.6173.5-179.70108.3
521E24.3Very low25.3Very low175 Ų175139 Ų13982%0.81881%0.806SS**  trans-83.2142.4156.1-75.4-170.7152.400109.2K519K519-E521 PolarHBondContact O-N 2.89Å; K519-E521 VanDerWaalsContact O-N 3.15Å
522P25.7Very low25.1Very low125 Ų125140.8 Ų140.881%0.81281%0.814SS**  trans-75.2132.4-17830-30.7000110.1G524P522-G524 PolarHBondContact O-N 2.88Å
523A23.8Very low24.8Very low110 Ų110139.8 Ų139.891%0.90982%0.819SS**  trans-59.996.317000000110.3
524G24.4Very low25Very low63 Ų63137.7 Ų137.765%0.64981%0.813SS**  trans-79.8114170.200000110.1P522 L526P522-G524 PolarHBondContact O-N 2.88Å; G524-L526 PolarHBondContact O-N 3.02Å
525R22.8Very low25.3Very low246 Ų246136 Ų13693%0.92882%0.818SS**  trans-59.6101.9176.1-157.6179.6-159.5-165.34.5110.1L527R525-L527 PolarHBondContact O-N 2.79Å
526L24.7Very low25.9Very low168 Ų168138.3 Ų138.388%0.8881%0.809SS**  trans-82.3110.6174.5-100151.8000110G524G524-L526 PolarHBondContact O-N 3.02Å
527L22.5Very low26.9Very low151 Ų151138.5 Ų138.579%0.79180%0.8SS**  trans-66.1136.2164.3-71.1160.2000108.8R525 P529R525-L527 PolarHBondContact O-N 2.79Å; L527-P529 WeakPolarHBondContact O-CD 3.5Å
528S27Very low27.8Very low115 Ų115129.7 Ų129.780%0.80476%0.763SS**  trans-61.3141.8169.856.30000111.1
529P25.7Very low28.7Very low124 Ų124128.1 Ų128.181%0.80575%0.75SS**  trans-126.3133.91418.413.8000112.1L527L527-P529 WeakPolarHBondContact O-CD 3.5Å
530A21.6Very low29.5Very low94 Ų94121 Ų12178%0.77772%0.724SS**  trans-60.1152.7173.200000113.3
531A23.3Very low30.4Very low92 Ų92113.4 Ų113.476%0.7670%0.695SS**  trans51.893.3147.300000117.5
532L24.3Very low31.4Very low174 Ų174106.1 Ų106.191%0.91166%0.662SS**  trans-135.698146-91.5165000109.3N534L532-N534 PolarHBondContact O-N 2.9Å
533T27.3Very low32.6Very low126 Ų126106.7 Ų106.777%0.77365%0.654SS**  trans-62.7120166.249.80000109.8
534N31.5Very low33.7Very low143 Ų143103.8 Ų103.877%0.76563%0.631SS**  trans-16994.5132.3-95.8-3.6000107.7L532 Q536L532-N534 PolarHBondContact O-N 2.9Å; N534-Q536 VanDerWaalsContact C-N 3.31Å; N534-Q536 PolarHBondContact O-N 3.03Å
535G29.2Very low34.6Very low92 Ų92101.6 Ų101.695%0.94860%0.604SS**  trans-78.776.1176.500000111.3
536Q37.3Very low35.9Very low123 Ų12391.7 Ų91.758%0.57557%0.573SS**  trans-104.2126.4164.7-70.5-175.1-40.200108.6N534 C540N534-Q536 VanDerWaalsContact C-N 3.31Å; N534-Q536 PolarHBondContact O-N 3.03Å; Q536-C540 HydrophobicContact CB-CB 4.46Å
537S45.6Very low37.3Very low64 Ų6489.9 Ų89.945%0.44856%0.559SS.*  trans-65.9150.4176.260.60000110.5P539 C540 V541S537-P539 VanDerWaalsContact C-N 3.3Å; S537-C540 VanDerWaalsContact O-CB 3.32Å; S537-C540 WeakPolarHBondContact O-CB 3.31Å; S537-C540 PolarHBondContact O-N 2.86Å; S537-V541 PolarHBondContact O-N 2.82Å
538L45.9Very low38.6Very low19 Ų1988.4 Ų88.410%0.09955%0.547CS..Hα-helixtrans-47.9-42177.5-98.9126.5000114.6M112 I113 H129 C540 V541 V542M112-L538 HydrophobicContact CE-CD1 3.5Å; M112-L538 HydrophobicContact CE-CD2 3.69Å; M112-L538 HydrophobicContact CE-CG 4.2Å; I113-L538 HydrophobicContact CD1-CB 4.41Å; I113-L538 HydrophobicContact CD1-CD2 3.86Å; I113-L538 HydrophobicContact CG1-CD2 4.08Å; H129-L538 HydrophobicContact CB-CD1 3.65Å; H129-L538 WeakPolarHBondContact ND1-CD1 3.48Å; L538-C540 VanDerWaalsContact C-N 3.25Å; L538-C540 PolarHBondContact O-N 2.94Å; L538-V541 WeakPolarHBondContact O-CA 3.49Å; L538-V541 WeakPolarHBondContact O-CB 3.41Å; L538-V541 PolarHBondContact O-N 2.95Å; L538-V542 WeakPolarHBondContact O-CG2 3.45Å; L538-V542 PolarHBondContact O-N 3.27Å
539P44.8Very low39.5Very low83 Ų8385.6 Ų85.654%0.53952%0.519SS..Hα-helixtrans-55.2-38.1175.3-27.635.6000113.7S537 V541 V542 E543S537-P539 VanDerWaalsContact C-N 3.3Å; P539-V541 VanDerWaalsContact C-N 3.34Å; P539-V541 PolarHBondContact O-N 2.74Å; P539-V542 WeakPolarHBondContact O-CB 3.44Å; P539-V542 PolarHBondContact O-N 3.35Å; P539-E543 PolarHBondContact O-N 3.03Å; P539-E543 VanDerWaalsContact O-N 3.13Å
540C42.7Very low40.8Very low49 Ų4983.2 Ų83.233%0.33150%0.499SS..Hα-helixtrans-68.6-33.7176.4-174.80000112Q536 S537 L538 A544Q536-C540 HydrophobicContact CB-CB 4.46Å; S537-C540 VanDerWaalsContact O-CB 3.32Å; S537-C540 WeakPolarHBondContact O-CB 3.31Å; S537-C540 PolarHBondContact O-N 2.86Å; L538-C540 VanDerWaalsContact C-N 3.25Å; L538-C540 PolarHBondContact O-N 2.94Å; C540-A544 PolarHBondContact O-N 2.9Å
541V44.4Very low42.5Very low45 Ų4583 Ų8327%0.27349%0.485SS..Hα-helixtrans-68.2-42.1174.3-178.50000110.1S537 L538 P539 E543 A544 V545S537-V541 PolarHBondContact O-N 2.82Å; L538-V541 WeakPolarHBondContact O-CA 3.49Å; L538-V541 WeakPolarHBondContact O-CB 3.41Å; L538-V541 PolarHBondContact O-N 2.95Å; P539-V541 VanDerWaalsContact C-N 3.34Å; P539-V541 PolarHBondContact O-N 2.74Å; V541-E543 PolarHBondContact O-N 3.1Å; V541-A544 PolarHBondContact O-N 3.4Å; V541-V545 HydrophobicContact CG1-CG2 4.09Å; V541-V545 WeakPolarHBondContact O-CB 3.45Å; V541-V545 VanDerWaalsContact O-CG2 3.22Å; V541-V545 WeakPolarHBondContact O-CG2 3.49Å; V541-V545 PolarHBondContact O-N 3.23Å
542V45.8Very low43.7Very low22 Ų2280.6 Ų80.613%0.13346%0.458CS..Hα-helixtrans-57.7-50.8176.4177.90000111.2I113 I116 L119 L538 P539 A544 V545 C546I113-V542 HydrophobicContact CD1-CG2 3.08Å; I116-V542 HydrophobicContact CD1-CG1 3.57Å; L119-V542 HydrophobicContact CD2-CG2 3.86Å; L538-V542 WeakPolarHBondContact O-CG2 3.45Å; L538-V542 PolarHBondContact O-N 3.27Å; P539-V542 WeakPolarHBondContact O-CB 3.44Å; P539-V542 PolarHBondContact O-N 3.35Å; V542-A544 VanDerWaalsContact C-N 3.31Å; V542-A544 PolarHBondContact O-N 3.18Å; V542-V545 PolarHBondContact O-N 3.32Å; V542-C546 VanDerWaalsContact O-CB 3.28Å; V542-C546 WeakPolarHBondContact O-CB 3.36Å; V542-C546 PolarHBondContact O-N 2.86Å; V542-C546 PolarHBondContact O-SG 3.03Å; V542-C546 VanDerWaalsContact O-SG 3.38Å
543E50.5Low44.8Very low137 Ų13778.2 Ų78.264%0.6444%0.437SS*.Hα-helixtrans-58-44.6179.2-86.2-171.914500112P539 V541 V545 C546 Q547P539-E543 PolarHBondContact O-N 3.03Å; P539-E543 VanDerWaalsContact O-N 3.13Å; V541-E543 PolarHBondContact O-N 3.1Å; E543-V545 PolarHBondContact O-N 3.21Å; E543-C546 PolarHBondContact O-N 3.18Å; E543-Q547 WeakPolarHBondContact O-CB 3.45Å; E543-Q547 WeakPolarHBondContact O-CG 3.21Å; E543-Q547 PolarHBondContact O-N 2.89Å
544A46.9Very low46Very low50 Ų5080 Ų8041%0.41343%0.434SS..Hα-helixtrans-64.6-39.6178.800000112.3C540 V541 V542 K548C540-A544 PolarHBondContact O-N 2.9Å; V541-A544 PolarHBondContact O-N 3.4Å; V542-A544 VanDerWaalsContact C-N 3.31Å; V542-A544 PolarHBondContact O-N 3.18Å; A544-K548 WeakPolarHBondContact O-CB 3.36Å; A544-K548 WeakPolarHBondContact O-CG 3.38Å; A544-K548 PolarHBondContact O-N 3.11Å
545V43.9Very low46.9Very low16 Ų1680.8 Ų80.810%0.09743%0.426CS..Hα-helixtrans-71-44.3177.5173.90000110.9L86 A91 L119 V541 V542 E543 Q547 K548 W549L86-V545 HydrophobicContact CB-CG1 4.24Å; L86-V545 HydrophobicContact CD2-CG1 4.13Å; A91-V545 HydrophobicContact CB-CG1 4.02Å; A91-V545 HydrophobicContact CB-CG2 3.94Å; L119-V545 HydrophobicContact CD1-CG1 4.46Å; V541-V545 HydrophobicContact CG1-CG2 4.09Å; V541-V545 WeakPolarHBondContact O-CB 3.45Å; V541-V545 VanDerWaalsContact O-CG2 3.22Å; V541-V545 WeakPolarHBondContact O-CG2 3.49Å; V541-V545 PolarHBondContact O-N 3.23Å; V542-V545 PolarHBondContact O-N 3.32Å; E543-V545 PolarHBondContact O-N 3.21Å; V545-Q547 PolarHBondContact O-N 3.02Å; V545-K548 PolarHBondContact O-N 2.98Å; V545-W549 VanDerWaalsContact O-CB 3.31Å; V545-W549 WeakPolarHBondContact O-CB 3.18Å; V545-W549 PolarHBondContact O-N 2.74Å
546C48.7Very low47.5Very low39 Ų3983.7 Ų83.726%0.26442%0.415SS..Hα-helixtrans-62-41.1175.3-75.80000111.8V542 E543 W549 N550V542-C546 VanDerWaalsContact O-CB 3.28Å; V542-C546 WeakPolarHBondContact O-CB 3.36Å; V542-C546 PolarHBondContact O-N 2.86Å; V542-C546 PolarHBondContact O-SG 3.03Å; V542-C546 VanDerWaalsContact O-SG 3.38Å; E543-C546 PolarHBondContact O-N 3.18Å; C546-W549 PolarHBondContact O-N 2.91Å; C546-N550 VanDerWaalsContact O-CB 3.31Å; C546-N550 WeakPolarHBondContact O-CB 3.43Å; C546-N550 VanDerWaalsContact O-CG 3.31Å; C546-N550 PolarHBondContact O-N 3.47Å; C546-N550 PolarHBondContact O-ND2 3.17Å
547Q54.4Low47.5Very low129 Ų12981.3 Ų81.360%0.60341%0.409SS*.Hα-helixtrans-63.2-46.5173.7-82.2-175.8-1.300111.9E543 V545 N550 N551E543-Q547 WeakPolarHBondContact O-CB 3.45Å; E543-Q547 WeakPolarHBondContact O-CG 3.21Å; E543-Q547 PolarHBondContact O-N 2.89Å; V545-Q547 PolarHBondContact O-N 3.02Å; Q547-N550 PolarHBondContact O-N 3.3Å; Q547-N551 WeakPolarHBondContact O-CB 3.14Å; Q547-N551 PolarHBondContact O-N 2.95Å; Q547-N551 PolarHBondContact O-ND2 3.03Å
548K49.4Very low46.8Very low121 Ų12186.8 Ų86.853%0.52643%0.433SS..Hα-helixtrans-59.7-46.8175.2-82.6-178.5177.1178.70111.5A544 V545 N550 N551 E552A544-K548 WeakPolarHBondContact O-CB 3.36Å; A544-K548 WeakPolarHBondContact O-CG 3.38Å; A544-K548 PolarHBondContact O-N 3.11Å; V545-K548 PolarHBondContact O-N 2.98Å; K548-N550 PolarHBondContact O-N 2.79Å; K548-N551 WeakPolarHBondContact O-CB 3.5Å; K548-N551 PolarHBondContact O-N 2.65Å; K548-N551 VanDerWaalsContact O-N 3.15Å; K548-E552 PolarHBondContact O-N 2.75Å
549W47.1Very low46Very low55 Ų5590.3 Ų90.321%0.20846%0.459CS..Hα-helixtrans-61.2-44.4178.4-176.875.5000112.2L86 K87 M89 V545 C546 N551 E552 R553L86-W549 HydrophobicContact CD2-CB 3.91Å; L86-W549 HydrophobicContact CD2-CD2 4.09Å; L86-W549 HydrophobicContact CD2-CG 3.76Å; K87-W549 HydrophobicContact CD-CZ2 4.43Å; M89-W549 HydrophobicContact CE-CB 4.27Å; M89-W549 HydrophobicContact CE-CG 4.39Å; V545-W549 VanDerWaalsContact O-CB 3.31Å; V545-W549 WeakPolarHBondContact O-CB 3.18Å; V545-W549 PolarHBondContact O-N 2.74Å; C546-W549 PolarHBondContact O-N 2.91Å; W549-N551 VanDerWaalsContact C-N 3.31Å; W549-N551 PolarHBondContact O-N 3.16Å; W549-E552 PolarHBondContact O-N 3.42Å; W549-R553 VanDerWaalsContact CH2-NH1 3.34Å; W549-R553 VanDerWaalsContact O-CB 3.25Å; W549-R553 WeakPolarHBondContact O-CB 3.49Å; W549-R553 PolarHBondContact O-N 2.95Å
550N52.3Low45.3Very low75 Ų7590.9 Ų90.940%0.40147%0.471SS..Hα-helixtrans-62.8-37.8174.8-78.4-24.1000112C546 Q547 K548 R553 K554C546-N550 VanDerWaalsContact O-CB 3.31Å; C546-N550 WeakPolarHBondContact O-CB 3.43Å; C546-N550 VanDerWaalsContact O-CG 3.31Å; C546-N550 PolarHBondContact O-N 3.47Å; C546-N550 PolarHBondContact O-ND2 3.17Å; Q547-N550 PolarHBondContact O-N 3.3Å; K548-N550 PolarHBondContact O-N 2.79Å; N550-R553 PolarHBondContact O-N 3.29Å; N550-K554 WeakPolarHBondContact O-CB 3.22Å; N550-K554 VanDerWaalsContact O-CG 3.29Å; N550-K554 WeakPolarHBondContact O-CG 3.42Å; N550-K554 PolarHBondContact O-N 3.13Å
551N57.3Low44.6Very low88 Ų8894.5 Ų94.547%0.47149%0.487SS..Hα-helixtrans-71-33.5176.6-70.3-23.2000113Q547 K548 W549 R555Q547-N551 WeakPolarHBondContact O-CB 3.14Å; Q547-N551 PolarHBondContact O-N 2.95Å; Q547-N551 PolarHBondContact O-ND2 3.03Å; K548-N551 WeakPolarHBondContact O-CB 3.5Å; K548-N551 PolarHBondContact O-N 2.65Å; K548-N551 VanDerWaalsContact O-N 3.15Å; W549-N551 VanDerWaalsContact C-N 3.31Å; W549-N551 PolarHBondContact O-N 3.16Å; N551-R555 PolarHBondContact O-N 3.02Å; N551-R555 PolarHBondContact O-NE 2.92Å
552E49.5Very low43.9Very low43 Ų43100.6 Ų100.620%0.20151%0.513CS..Hα-helixtrans-71.5-43171.9-126104.3-128.100111M89 K548 W549 K554 R555 H556M89-E552 HydrophobicContact CE-CB 4.29Å; M89-E552 HydrophobicContact CE-CG 4.43Å; M89-E552 HydrophobicContact SD-CB 4.21Å; M89-E552 HydrophobicContact SD-CG 4.15Å; K548-E552 PolarHBondContact O-N 2.75Å; W549-E552 PolarHBondContact O-N 3.42Å; E552-K554 PolarHBondContact O-N 3.49Å; E552-R555 VanDerWaalsContact CD-NH2 3.33Å; E552-R555 WeakPolarHBondContact O-CB 3.31Å; E552-R555 PolarHBondContact O-N 3.35Å; E552-R555 IonicContact OE1-CZ 2.72Å; E552-R555 VanDerWaalsContact OE1-CZ 3.26Å; E552-R555 IonicContact OE1-NH1 2.65Å; E552-R555 PolarHBondContact OE1-NH1 2.69Å; E552-R555 IonicContact OE1-NH2 2.71Å; E552-R555 PolarHBondContact OE1-NH2 2.53Å; E552-H556 PolarHBondContact O-CD2 3.31Å; E552-H556 PolarHBondContact O-N 2.81Å
553R46.4Very low43Very low123 Ų123109.7 Ų109.746%0.46455%0.546SS..Hα-helixtrans-60.2-46.4177.3-175.7177169164.7-2.8111.2W549 N550 R555 H556 T557W549-R553 VanDerWaalsContact CH2-NH1 3.34Å; W549-R553 VanDerWaalsContact O-CB 3.25Å; W549-R553 WeakPolarHBondContact O-CB 3.49Å; W549-R553 PolarHBondContact O-N 2.95Å; N550-R553 PolarHBondContact O-N 3.29Å; R553-R555 PolarHBondContact O-N 3.19Å; R553-H556 PolarHBondContact O-N 3.48Å; R553-T557 HydrophobicContact CG-CG2 4.38Å; R553-T557 PolarHBondContact O-N 3.39Å; R553-T557 PolarHBondContact O-OG1 3.36Å; R553-T557 VanDerWaalsContact O-OG1 3.06Å
554K52Low42Very low164 Ų164109.9 Ų109.971%0.71355%0.551SS**Hα-helixtrans-58.6-27.1173.9-76.1176.7-178.5-179.60113.5N550 E552N550-K554 WeakPolarHBondContact O-CB 3.22Å; N550-K554 VanDerWaalsContact O-CG 3.29Å; N550-K554 WeakPolarHBondContact O-CG 3.42Å; N550-K554 PolarHBondContact O-N 3.13Å; E552-K554 PolarHBondContact O-N 3.49Å
555R50.6Low41.3Very low160 Ų160115.3 Ų115.360%0.60457%0.573SS**Hα-helixtrans-78.4-21174.7-85.2-178.4-83.6142.5-7.3113.6N551 E552 R553N551-R555 PolarHBondContact O-N 3.02Å; N551-R555 PolarHBondContact O-NE 2.92Å; E552-R555 VanDerWaalsContact CD-NH2 3.33Å; E552-R555 WeakPolarHBondContact O-CB 3.31Å; E552-R555 PolarHBondContact O-N 3.35Å; E552-R555 IonicContact OE1-CZ 2.72Å; E552-R555 VanDerWaalsContact OE1-CZ 3.26Å; E552-R555 IonicContact OE1-NH1 2.65Å; E552-R555 PolarHBondContact OE1-NH1 2.69Å; E552-R555 IonicContact OE1-NH2 2.71Å; E552-R555 PolarHBondContact OE1-NH2 2.53Å; R553-R555 PolarHBondContact O-N 3.19Å
556H41.6Very low40.9Very low152 Ų152119.8 Ų119.870%0.70460%0.6SS**Hα-helixtrans-114-10.9-171.3-78.4-70.6000115.1E552 R553E552-H556 PolarHBondContact O-CD2 3.31Å; E552-H556 PolarHBondContact O-N 2.81Å; R553-H556 PolarHBondContact O-N 3.48Å
557T37.7Very low40.3Very low74 Ų74122.7 Ų122.745%0.45462%0.618SS.*  trans-121.697.9-179.861.10000112.3R553 S559R553-T557 HydrophobicContact CG-CG2 4.38Å; R553-T557 PolarHBondContact O-N 3.39Å; R553-T557 PolarHBondContact O-OG1 3.36Å; R553-T557 VanDerWaalsContact O-OG1 3.06Å; T557-S559 PolarHBondContact O-N 3.46Å
558N30.2Very low39.8Very low178 Ų178118.8 Ų118.895%0.95260%0.604SS**  trans-86.480.3150.8-91.4-11.6000107.4
559S30.7Very low40Very low94 Ų94116.3 Ų116.366%0.65760%0.599SS**  trans-176.7121.2161.3-169.90000108.2T557T557-S559 PolarHBondContact O-N 3.46Å
560A28.2Very low40.5Very low94 Ų94116.8 Ų116.878%0.77761%0.608SS**  trans-77.9123.1174.800000109.2
561D28.4Very low40.6Very low125 Ų125117.1 Ų117.167%0.66861%0.609SS**  trans-148.994.1154.8-81.2-42.1000106
562E30.7Very low40Very low174 Ų174115.9 Ų115.981%0.81361%0.61SS**  trans-105113.5174.7-173.4162.8-155.700106.5
563Y27.4Very low39.7Very low213 Ų213121.6 Ų121.684%0.83564%0.635SS**  trans-88.9103.9172.1-73.7-88.5000107.6L565Y563-L565 PolarHBondContact O-N 3.19Å
564D28.8Very low39Very low141 Ų141124 Ų12475%0.75465%0.651SS**PPolyproline II helixtrans-70.7116.9171.1-81.3-35.3000110.1V566D564-V566 PolarHBondContact O-N 3.09Å
565L31.4Very low38Very low164 Ų164125.9 Ų125.986%0.85966%0.663SS**PPolyproline II helixtrans-75.5116.3166.1-73.1167.9000108.4Y563Y563-L565 PolarHBondContact O-N 3.19Å
566V35.6Very low37.2Very low110 Ų110126.9 Ų126.967%0.66767%0.674SS**PPolyproline II helixtrans-62.3128.4174.8-179.40000109D564D564-V566 PolarHBondContact O-N 3.09Å
567P36.7Very low36.5Very low100 Ų100124 Ų12465%0.64968%0.677SS**PPolyproline II helixtrans-66.5141.3-179.323.9-31.1000111.3
568P44.8Very low36.2Very low47 Ų47125.5 Ų125.531%0.30569%0.69SS.*PPolyproline II helixtrans-61.6138.5176.923.7-31.6000110.6Q172Q172-P568 VanDerWaalsContact O-CB 3.3Å; Q172-P568 WeakPolarHBondContact O-CB 3.48Å
569T53Low36.2Very low68 Ų68123.3 Ų123.342%0.41768%0.683SS.*PPolyproline II helixtrans-83.9117.1174.5-54.90000108.1F171F171-T569 WeakPolarHBondContact CA-O 3.43Å
570V57.2Low36.4Very low65 Ų65126.2 Ų126.239%0.39469%0.691SS.*EExtended strand (participates in β ladder)trans-113.2124.1177.3-177.30000107.7F171F171-V570 HydrophobicContact CB-CG2 4.19Å
571I54.1Low36.6Very low83 Ų83129.2 Ų129.243%0.42669%0.694SS.*EExtended strand (participates in β ladder)trans-103.3105.7172.2-56.3176.2000106.8H170 W180H170-I571 PolarHBondContact O-N 3.22Å; W180-I571 HydrophobicContact CH2-CD1 4.03Å
572A45.5Very low36.8Very low61 Ų61128 Ų12850%0.50470%0.701SS.*  trans-114132.6168.600000108E574A572-E574 PolarHBondContact O-N 3Å
573K42.7Very low37Very low164 Ų164124.1 Ų124.171%0.71370%0.699SS**  trans-65119.7178.6-78.7-179.6174.3172.70109.8G164G164-K573 PolarHBondContact O-NZ 3.47Å
574E32.4Very low37.2Very low173 Ų173125.6 Ų125.681%0.80870%0.703SS**  trans-75.2130.3159.9-71.1-178.5159.200108.3A572 E576A572-E574 PolarHBondContact O-N 3Å; E574-E576 PolarHBondContact O-N 2.99Å
575E31.4Very low37.3Very low204 Ų204123.7 Ų123.795%0.95370%0.701SS**  trans-69.696.5166.1-82.7-176.3149.100108.2A577E575-A577 PolarHBondContact O-N 3.47Å
576E32.8Very low37.4Very low180 Ų180122.5 Ų122.584%0.84170%0.701SS**  trans-70.4110.2168.9-74.1-162.9166.600109.9E574 S578E574-E576 PolarHBondContact O-N 2.99Å; E576-S578 PolarHBondContact O-N 3.01Å
577A27.8Very low36.9Very low93 Ų93122.9 Ų122.977%0.76971%0.707SS**  trans-65.8113.116000000108.4E575 V579E575-A577 PolarHBondContact O-N 3.47Å; A577-V579 PolarHBondContact O-N 3.17Å
578S31Very low36.7Very low104 Ų104123.1 Ų123.173%0.72771%0.711SS**  trans-61.2117.4179.163.50000111.2E576E576-S578 PolarHBondContact O-N 3.01Å
579V30.6Very low36Very low132 Ų132126.1 Ų126.180%0.873%0.733SS**  trans-93.8100.9161.8-173.50000106.7A577A577-V579 PolarHBondContact O-N 3.17Å
580D35Very low35Very low156 Ų156127.7 Ų127.783%0.83475%0.753SS**  trans-78.2121.2167.5-90.6-35.4000109.1
581D31.4Very low33.7Very low156 Ų156128 Ų12883%0.83477%0.769SS**  trans-139.4108.2168.5-145.80.6000109.1
582A31.8Very low32.6Very low99 Ų99133.4 Ų133.482%0.81879%0.793SS**  trans-176.7111.1152.300000112.1
583A35Very low31.7Very low94 Ų94135.4 Ų135.478%0.77780%0.803SS**  179.9106.511400000113.7
584R32.9Very low31.1Very low244 Ų244134 Ų13492%0.92181%0.808SS**  trans48.8118.2131.6-79178.3174.5158.20.1121
585S29.9Very low30.8Very low101 Ų101130.9 Ų130.971%0.70680%0.801SS**  79.7105119.8-176.50000118.7
586T33.6Very low30.4Very low138 Ų138129.7 Ų129.785%0.84779%0.793SS**  -178.6154.3103.524.90000111.6
587C25.3Very low30.2Very low118 Ų118128.2 Ų128.280%0.79780%0.796SS**  trans-77148.3-175.951.80000114.3
588S32.7Very low30.1Very low105 Ų105130.5 Ų130.573%0.73480%0.795SS**  165.7123.2113.778.40000113.2
589S29.6Very low30.1Very low110 Ų110130.3 Ų130.377%0.76979%0.794SS**  trans33147.2136.160.70000124.9
590A33Very low30Very low101 Ų101130.3 Ų130.384%0.83579%0.789SS**  trans93.8117.1162.100000114.3
591G28.4Very low30Very low72 Ų72130.4 Ų130.474%0.74279%0.79SS**  84.7124.971.400000107.3
592E32.4Very low30.2Very low197 Ų197131.4 Ų131.492%0.92179%0.789SS**  cis-157.7168.128.7-78.6168.9120.500109.6
593S26.2Very low30.2Very low103 Ų103134.7 Ų134.772%0.7279%0.788SS**  trans-61.2155.7165.847.50000115
594V29.9Very low30.1Very low133 Ų133137.6 Ų137.681%0.80679%0.787SS**  169.6153.6111.5164.90000111.5
595T25.3Very low30.1Very low109 Ų109129.2 Ų129.267%0.66978%0.777SS**  trans-69.8155.1-164.748.20000121.9
596F24.3Very low30.4Very low179 Ų179133.5 Ų133.579%0.78578%0.783SS**  trans52130.8136-81.3-93.7000123.2
597V29Very low30.3Very low149 Ų149135 Ų13590%0.90378%0.78SS**  -167142.4118.1-105.60000112.6
598D24.4Very low30.7Very low141 Ų141137.2 Ų137.275%0.75478%0.783SS**  trans-88.2171.2173-85.3-44.1000113.4
599S31.3Very low30.6Very low100 Ų100140.5 Ų140.570%0.69979%0.787SS**  trans82.8145.3154.8-62.90000118.7
600D29.4Very low30.9Very low132 Ų132140.4 Ų140.471%0.70679%0.786SS**  cis-174.2171.1-14.6-97.1-44.8000105.4
601D33.9Very low31Very low157 Ų157144 Ų14484%0.8479%0.786SS**  trans115.4135.8143.9-66-33.4000123.1
602E35Very low31.5Very low177 Ų177149.8 Ų149.883%0.82779%0.791SS**  trans97.195.8161.2-62.3-167.5160.900119.1
603E33.8Very low31.8Very low168 Ų168148.3 Ų148.379%0.78579%0.789SS**  64.6137.881-119.3-173.3160.500112.8
604M32.3Very low32.6Very low155 Ų155154 Ų15476%0.76481%0.809SS**  cis-178.9144.928.6-171.6-178.542.400110.7
605G32.3Very low32.8Very low69 Ų69155 Ų15571%0.71181%0.809SS**  trans88.4142.7143.100000119.4
606K35.6Very low33.2Very low191 Ų191157.4 Ų157.483%0.8382%0.817SS**  cis-165.5152.18.4-93.9179.6176.6176.70110.4
607E32.2Very low33.7Very low168 Ų168156.2 Ų156.279%0.78582%0.819SS**  trans-17.6145159.7-62.1161.1137.900120
608L33.5Very low33.9Very low165 Ų165156.6 Ų156.686%0.86481%0.814SS**  -178.2141.6104.4-97156.7000113.7
609Q31.7Very low34.5Very low175 Ų175157.6 Ų157.682%0.81882%0.817SS**  trans-66.9150.9172.7-68155.9-42.500112.8
610S34.9Very low34.7Very low107 Ų107161.5 Ų161.575%0.74883%0.825SS**  159.2126114.365.60000112.9
611E34.5Very low35.1Very low176 Ų176163.6 Ų163.682%0.82283%0.834SS**  trans32.6135.6138.9-66.7177.7154.100121.7
612F38.9Very low35.2Very low194 Ų194164.1 Ų164.185%0.85183%0.833SS**  -157.8109123.5-97.1-74.2000109.9
613D38.8Very low35.2Very low166 Ų166163 Ų16389%0.88883%0.834SS**  trans-105.1130.7150.5-100.6-26.2000106.9
614I44.4Very low35.4Very low222 Ų222162.5 Ų162.5100%1.13884%0.838SS**  trans-132.90155.1-67.5-178.3000106.7

Retrieved 614 of 614 residues in 345.7 ms (Link to these results)

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