A0A087XMY4_POEFO Loading...

Osteoclast-stimulating factor 1

Induces bone resorption, acting probably through a signaling cascade which results in the secretion of factor(s) enhancing osteoclast formation and activity.

AlphaFold DB , UniProt , Accession A0A087XMY4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 288 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
1M70.5Confident86.3Confident76 Ų7665.9 Ų65.937%0.37432%0.322SS..  0173.30-150.2162.2-174.500107.9K26 I27 L30 M53 T55 F59M1-K26 CarbonylContact O-C 3.44Å; M1-I27 HydrophobicContact CB-CB 4.16Å; M1-I27 PolarHBondContact N-O 2.73Å; M1-I27 PolarHBondContact O-N 3.33Å; M1-L30 HydrophobicContact SD-CD1 4.13Å; M1-M53 HydrophobicContact CE-CE 4.03Å; M1-M53 HydrophobicContact SD-CE 3.45Å; M1-M53 WeakPolarHBondContact SD-CE 3.44Å; M1-T55 HydrophobicContact CE-CG2 3.55Å; M1-F59 HydrophobicContact CE-CD1 4.4Å; M1-F59 HydrophobicContact CE-CE1 4.17Å
2E83.9Confident86.1Confident78 Ų7870.6 Ų70.636%0.36436%0.358SS..EExtended strand (participates in β ladder)trans-122.8145.4173.6-68.8178.6119.900109.3L25 Q54 N126E2-L25 WeakPolarHBondContact CA-O 3.45Å; E2-Q54 PolarHBondContact O-N 2.98Å; E2-N126 PolarHBondContact OE2-ND2 2.88Å
3A84.1Confident86.2Confident0 Ų068.2 Ų68.20%036%0.355CS..EExtended strand (participates in β ladder)trans-140.7155.317800000109.8L25 I27 I51 D52A3-L25 PolarHBondContact N-O 3.31Å; A3-L25 PolarHBondContact O-N 2.64Å; A3-I27 HydrophobicContact CB-CD1 3.85Å; A3-I27 HydrophobicContact CB-CG1 3.77Å; A3-I51 HydrophobicContact CB-CB 3.99Å; A3-I51 HydrophobicContact CB-CD1 3.84Å; A3-I51 HydrophobicContact CB-CG1 4.39Å; A3-I51 HydrophobicContact CB-CG2 4.34Å; A3-D52 CarbonylContact C-O 3.25Å; A3-D52 WeakPolarHBondContact CA-O 3.22Å
4R86.6Confident86.1Confident100 Ų10075.2 Ų75.238%0.37739%0.394SS..EExtended strand (participates in β ladder)trans-112.4134.6-177.5176.1176.9175.7164.6-2.7109.3K6 N22 D23 I24 I51 D52 Q54R4-K6 PolarHBondContact O-N 3.28Å; R4-K6 VanDerWaalsContact O-N 3.08Å; R4-N22 PolarHBondContact NE-OD1 3.45Å; R4-N22 PolarHBondContact NH2-OD1 3.49Å; R4-D23 CarbonylContact C-O 3.42Å; R4-D23 VanDerWaalsContact CA-O 3.3Å; R4-D23 WeakPolarHBondContact CA-O 3.22Å; R4-I24 HydrophobicContact CB-CD1 3.97Å; R4-I24 HydrophobicContact CG-CD1 4.1Å; R4-I51 CarbonylContact O-C 3.58Å; R4-I51 WeakPolarHBondContact O-CA 3.14Å; R4-D52 HydrophobicContact CB-CB 4.47Å; R4-D52 PolarHBondContact N-O 3.14Å; R4-D52 PolarHBondContact O-N 2.99Å; R4-Q54 HydrophobicContact CB-CG 3.55Å
5G88.3Confident86.2Confident1 Ų176.6 Ų76.61%0.0140%0.402CS..EExtended strand (participates in β ladder)trans-57.1116.6173.800000110.7K21 N22 D23G5-K21 CarbonylContact O-C 3.26Å; G5-K21 WeakPolarHBondContact O-CA 3.39Å; G5-N22 PolarHBondContact O-N 3.35Å; G5-D23 PolarHBondContact N-O 3.24Å
6K86.9Confident86.6Confident92 Ų9273.3 Ų73.340%0.438%0.383SS..SBendtrans-81.1-33.2177.5-172175.6-179172.80111.2R4 K21 Y50 D52R4-K6 PolarHBondContact O-N 3.28Å; R4-K6 VanDerWaalsContact O-N 3.08Å; K6-K21 VanDerWaalsContact O-CD 3.25Å; K6-K21 WeakPolarHBondContact O-CD 3.23Å; K6-K21 WeakPolarHBondContact O-CE 3.47Å; K6-K21 WeakPolarHBondContact O-CG 3.29Å; K6-Y50 VanDerWaalsContact CB-O 3.29Å; K6-Y50 WeakPolarHBondContact CB-O 3.34Å; K6-Y50 PolarHBondContact N-O 3.32Å; K6-D52 HydrophobicContact CB-CB 4.38Å
7Y88Confident86.8Confident108 Ų10869.1 Ų69.142%0.42436%0.361SS..SBendtrans-131.5172.5171.2-48.8-65.5000108.9F19 K21 Y50Y7-F19 WeakPolarHBondContact O-CE2 3.44Å; Y7-K21 PolarHBondContact O-N 3.35Å; Y7-Y50 HydrophobicContact CD2-CD1 4.18Å; Y7-Y50 HydrophobicContact CD2-CG 4.28Å; Y7-Y50 PolarHBondContact N-O 3.16Å
8D89.8Confident87.1Confident108 Ų10868.1 Ų68.158%0.57836%0.361SS*.  trans-74.6146.7161.150-67.5000111.3Y50D8-Y50 WeakPolarHBondContact O-CD1 3.21Å; D8-Y50 WeakPolarHBondContact O-CE1 3.28Å
9F91.3Very high87.4Confident24 Ų2464.9 Ų64.911%0.10534%0.344CS..BIsolated β-bridgetrans-142.1123.6177.9176.3-104.9000108.8E16 L17 S18 F19 W34 P47 Y50F9-E16 HydrophobicContact CE1-CB 4.29Å; F9-E16 HydrophobicContact CZ-CB 4.44Å; F9-E16 HydrophobicContact CZ-CG 4.47Å; F9-L17 VanDerWaalsContact CD1-O 3.31Å; F9-L17 WeakPolarHBondContact CD1-O 3.44Å; F9-S18 WeakPolarHBondContact O-CA 3.39Å; F9-F19 HydrophobicContact CB-CD1 3.98Å; F9-F19 HydrophobicContact CB-CD2 4.45Å; F9-F19 HydrophobicContact CB-CE1 3.52Å; F9-F19 HydrophobicContact CB-CE2 4.06Å; F9-F19 HydrophobicContact CB-CG 4.42Å; F9-F19 HydrophobicContact CB-CZ 3.59Å; F9-F19 AromaticContact CD1-CD1 3.95Å; F9-F19 HydrophobicContact CD1-CD1 3.95Å; F9-F19 AromaticContact CD1-CE1 3.59Å; F9-F19 HydrophobicContact CD1-CE1 3.59Å; F9-F19 HydrophobicContact CD1-CZ 4.43Å; F9-F19 HydrophobicContact CG-CD1 4.41Å; F9-F19 AromaticContact CG-CE1 3.82Å; F9-F19 HydrophobicContact CG-CE1 3.82Å; F9-F19 HydrophobicContact CG-CZ 4.24Å; F9-F19 PolarHBondContact N-O 3.34Å; F9-F19 PolarHBondContact O-N 3.01Å; F9-W34 HydrophobicContact CZ-CH2 4.2Å; F9-W34 HydrophobicContact CZ-CZ3 4.1Å; F9-P47 HydrophobicContact CD2-CG 3.78Å; F9-P47 HydrophobicContact CE2-CG 3.66Å; F9-P47 HydrophobicContact CG-CG 4.36Å; F9-P47 HydrophobicContact CZ-CG 4.12Å; F9-Y50 HydrophobicContact CB-CD1 4Å; F9-Y50 HydrophobicContact CD2-CD1 4.24Å; F9-Y50 HydrophobicContact CD2-CE1 4.43Å
10T90.9Very high87.5Confident107 Ų10771 Ų7166%0.65636%0.362SS*.  trans-105.5127.8174-57.40000108.1
11A89.4Confident87.5Confident31 Ų3173.2 Ų73.226%0.25637%0.369SS..  trans-6013517700000111.1E16 S18A11-E16 HydrophobicContact CB-CB 3.7Å; A11-E16 VanDerWaalsContact CB-O 3.31Å; A11-E16 WeakPolarHBondContact CB-O 3.36Å; A11-S18 WeakPolarHBondContact CB-OG 3.46Å; A11-S18 PolarHBondContact N-OG 3.13Å
12T83.8Confident88.2Confident122 Ų12273.6 Ų73.675%0.74837%0.373SS*.SBendtrans-110.2-21.3178.767.30000112.1E16T12-E16 WeakPolarHBondContact CA-OE2 3.35Å; T12-E16 WeakPolarHBondContact CB-OE2 3.13Å; T12-E16 PolarHBondContact N-OE2 3.36Å; T12-E16 PolarHBondContact OG1-OE1 2.96Å; T12-E16 PolarHBondContact OG1-OE2 2.89Å
13A86.8Confident88.4Confident39 Ų3972.4 Ų72.432%0.32237%0.369SS..SBendtrans-116.7165.1169.700000112D15 E16A13-D15 VanDerWaalsContact C-N 3.29Å; A13-D15 WeakPolarHBondContact CB-OD1 3.47Å; A13-D15 PolarHBondContact O-N 2.87Å; A13-E16 HydrophobicContact CB-CG 4.08Å; A13-E16 PolarHBondContact N-OE2 2.86Å; A13-E16 VanDerWaalsContact N-OE2 3.1Å; A13-E16 PolarHBondContact O-N 3.13Å
14D84.8Confident88.5Confident167 Ų16776.7 Ų76.789%0.89339%0.391SS*.THydrogen-bonded Turntrans-70.3-28.2-179.1-165.1-116.1000112.2
15D87.9Confident88.5Confident96 Ų9672 Ų7251%0.51337%0.373SS..THydrogen-bonded Turntrans-84.7-2.8176.851.2-71.9000114.5A13 G44 F45A13-D15 VanDerWaalsContact C-N 3.29Å; A13-D15 WeakPolarHBondContact CB-OD1 3.47Å; A13-D15 PolarHBondContact O-N 2.87Å; D15-G44 CarbonylContact O-C 3.47Å; D15-G44 WeakPolarHBondContact O-CA 3.46Å; D15-F45 HydrophobicContact CB-CD2 4.33Å; D15-F45 PolarHBondContact O-N 3.02Å
16E92.9Very high88.3Confident23 Ų2376.3 Ų76.311%0.10739%0.392CS..BIsolated β-bridgetrans-94.1144178.3-72.7176.317000112.8F9 A11 T12 A13 W34 F45F9-E16 HydrophobicContact CE1-CB 4.29Å; F9-E16 HydrophobicContact CZ-CB 4.44Å; F9-E16 HydrophobicContact CZ-CG 4.47Å; A11-E16 HydrophobicContact CB-CB 3.7Å; A11-E16 VanDerWaalsContact CB-O 3.31Å; A11-E16 WeakPolarHBondContact CB-O 3.36Å; T12-E16 WeakPolarHBondContact CA-OE2 3.35Å; T12-E16 WeakPolarHBondContact CB-OE2 3.13Å; T12-E16 PolarHBondContact N-OE2 3.36Å; T12-E16 PolarHBondContact OG1-OE1 2.96Å; T12-E16 PolarHBondContact OG1-OE2 2.89Å; A13-E16 HydrophobicContact CB-CG 4.08Å; A13-E16 PolarHBondContact N-OE2 2.86Å; A13-E16 VanDerWaalsContact N-OE2 3.1Å; A13-E16 PolarHBondContact O-N 3.13Å; E16-W34 HydrophobicContact CG-CH2 4.39Å; E16-W34 HydrophobicContact CG-CZ3 4.01Å; E16-W34 WeakPolarHBondContact OE1-CH2 3.33Å; E16-F45 WeakPolarHBondContact CA-O 3.43Å
17L90.5Very high88.3Confident2 Ų272.3 Ų72.31%0.0137%0.374CS..PPolyproline II helixtrans-102.2117.4179.5178.265.8000111.3F9 F19 L25 A37 M39 Q42 F45 I46F9-L17 VanDerWaalsContact CD1-O 3.31Å; F9-L17 WeakPolarHBondContact CD1-O 3.44Å; L17-F19 WeakPolarHBondContact O-CD1 3.4Å; L17-L25 HydrophobicContact CD2-CD2 3.8Å; L17-L25 HydrophobicContact CG-CD2 4.47Å; L17-A37 HydrophobicContact CD2-CB 4.05Å; L17-M39 HydrophobicContact CD1-CB 4.42Å; L17-M39 HydrophobicContact CD2-CB 3.95Å; L17-Q42 HydrophobicContact CD1-CB 4.07Å; L17-Q42 HydrophobicContact CD1-CG 3.97Å; L17-F45 PolarHBondContact N-O 3.36Å; L17-I46 HydrophobicContact CB-CG2 3.78Å; L17-I46 HydrophobicContact CD2-CG2 4.4Å; L17-I46 HydrophobicContact CG-CG2 4.37Å; L17-I46 WeakPolarHBondContact O-CG2 3.3Å
18S91.9Very high88Confident52 Ų5270.7 Ų70.736%0.36437%0.373SS..PPolyproline II helixtrans-73.5140175.5-61.50000112.2F9 A11 M39F9-S18 WeakPolarHBondContact O-CA 3.39Å; A11-S18 WeakPolarHBondContact CB-OG 3.46Å; A11-S18 PolarHBondContact N-OG 3.13Å; S18-M39 WeakPolarHBondContact O-CE 3.35Å
19F91.9Very high87.5Confident8 Ų869.3 Ų69.34%0.03537%0.365CS..BIsolated β-bridgetrans-154164.817563.7-89.1000112.6Y7 F9 L17 D23 L25 M39 I46 I51Y7-F19 WeakPolarHBondContact O-CE2 3.44Å; F9-F19 HydrophobicContact CB-CD1 3.98Å; F9-F19 HydrophobicContact CB-CD2 4.45Å; F9-F19 HydrophobicContact CB-CE1 3.52Å; F9-F19 HydrophobicContact CB-CE2 4.06Å; F9-F19 HydrophobicContact CB-CG 4.42Å; F9-F19 HydrophobicContact CB-CZ 3.59Å; F9-F19 AromaticContact CD1-CD1 3.95Å; F9-F19 HydrophobicContact CD1-CD1 3.95Å; F9-F19 AromaticContact CD1-CE1 3.59Å; F9-F19 HydrophobicContact CD1-CE1 3.59Å; F9-F19 HydrophobicContact CD1-CZ 4.43Å; F9-F19 HydrophobicContact CG-CD1 4.41Å; F9-F19 AromaticContact CG-CE1 3.82Å; F9-F19 HydrophobicContact CG-CE1 3.82Å; F9-F19 HydrophobicContact CG-CZ 4.24Å; F9-F19 PolarHBondContact N-O 3.34Å; F9-F19 PolarHBondContact O-N 3.01Å; L17-F19 WeakPolarHBondContact O-CD1 3.4Å; F19-D23 HydrophobicContact CB-CB 4.38Å; F19-L25 HydrophobicContact CB-CD1 4.06Å; F19-L25 HydrophobicContact CB-CD2 3.92Å; F19-L25 HydrophobicContact CB-CG 4.4Å; F19-L25 HydrophobicContact CD1-CD1 4.05Å; F19-L25 HydrophobicContact CD1-CD2 4.04Å; F19-L25 HydrophobicContact CD2-CD1 3.67Å; F19-L25 HydrophobicContact CE1-CD1 4.43Å; F19-L25 HydrophobicContact CE2-CD1 4.07Å; F19-L25 HydrophobicContact CG-CD1 3.65Å; F19-L25 HydrophobicContact CG-CD2 4.05Å; F19-L25 HydrophobicContact CG-CG 4.41Å; F19-L25 HydrophobicContact CZ-CD1 4.42Å; F19-M39 HydrophobicContact CB-CE 3.99Å; F19-M39 HydrophobicContact CB-SD 4.17Å; F19-I46 HydrophobicContact CD1-CB 4.41Å; F19-I46 HydrophobicContact CD1-CG2 3.75Å; F19-I46 HydrophobicContact CE1-CB 3.69Å; F19-I46 HydrophobicContact CE1-CD1 4.34Å; F19-I46 HydrophobicContact CE1-CG2 3.52Å; F19-I51 HydrophobicContact CE2-CG2 4.15Å; F19-I51 HydrophobicContact CZ-CG2 3.91Å
20R90.6Very high86.7Confident186 Ų18672.3 Ų72.370%0.70238%0.382SS*.  trans-108.6161.3178.3-58.8-177.6175.2-166.1-2.3111.8N22 D23R20-N22 PolarHBondContact O-N 2.96Å; R20-D23 WeakPolarHBondContact CA-OD2 3.34Å; R20-D23 WeakPolarHBondContact CB-OD2 3.26Å; R20-D23 PolarHBondContact N-OD2 2.99Å; R20-D23 WeakPolarHBondContact O-CB 3.46Å; R20-D23 PolarHBondContact O-N 3.49Å
21K86.9Confident86Confident117 Ų11771.1 Ų71.151%0.50937%0.369SS..THydrogen-bonded Turntrans-56.1126.7169.1-174.3170-176.9168.70110.6G5 K6 Y7G5-K21 CarbonylContact O-C 3.26Å; G5-K21 WeakPolarHBondContact O-CA 3.39Å; K6-K21 VanDerWaalsContact O-CD 3.25Å; K6-K21 WeakPolarHBondContact O-CD 3.23Å; K6-K21 WeakPolarHBondContact O-CE 3.47Å; K6-K21 WeakPolarHBondContact O-CG 3.29Å; Y7-K21 PolarHBondContact O-N 3.35Å
22N84.3Confident85Confident84 Ų8476.3 Ų76.345%0.44939%0.392SS..THydrogen-bonded Turntrans79.4-1.5-172.9-44.2-73.9000117.4R4 G5 R20R4-N22 PolarHBondContact NE-OD1 3.45Å; R4-N22 PolarHBondContact NH2-OD1 3.49Å; G5-N22 PolarHBondContact O-N 3.35Å; R20-N22 PolarHBondContact O-N 2.96Å
23D88.4Confident84.7Confident54 Ų5475.7 Ų75.729%0.28938%0.384SS..  trans-65.6146.9172.4-68.6-8000110.4R4 G5 F19 R20 M39R4-D23 CarbonylContact C-O 3.42Å; R4-D23 VanDerWaalsContact CA-O 3.3Å; R4-D23 WeakPolarHBondContact CA-O 3.22Å; G5-D23 PolarHBondContact N-O 3.24Å; F19-D23 HydrophobicContact CB-CB 4.38Å; R20-D23 WeakPolarHBondContact CA-OD2 3.34Å; R20-D23 WeakPolarHBondContact CB-OD2 3.26Å; R20-D23 PolarHBondContact N-OD2 2.99Å; R20-D23 WeakPolarHBondContact O-CB 3.46Å; R20-D23 PolarHBondContact O-N 3.49Å; D23-M39 HydrophobicContact CB-SD 3.92Å
24I86.3Confident84.7Confident90 Ų9078.5 Ų78.546%0.46239%0.387SS..EExtended strand (participates in β ladder)trans-100.1123.1179.2-54.8-57.8000109.9R4R4-I24 HydrophobicContact CB-CD1 3.97Å; R4-I24 HydrophobicContact CG-CD1 4.1Å
25L87.9Confident84.8Confident0 Ų070.5 Ų70.50%034%0.344CS..EExtended strand (participates in β ladder)trans-115125.4-172.6-67.9135.5000109.5E2 A3 L17 F19 I27 A37 M39 I46 I51E2-L25 WeakPolarHBondContact CA-O 3.45Å; A3-L25 PolarHBondContact N-O 3.31Å; A3-L25 PolarHBondContact O-N 2.64Å; L17-L25 HydrophobicContact CD2-CD2 3.8Å; L17-L25 HydrophobicContact CG-CD2 4.47Å; F19-L25 HydrophobicContact CB-CD1 4.06Å; F19-L25 HydrophobicContact CB-CD2 3.92Å; F19-L25 HydrophobicContact CB-CG 4.4Å; F19-L25 HydrophobicContact CD1-CD1 4.05Å; F19-L25 HydrophobicContact CD1-CD2 4.04Å; F19-L25 HydrophobicContact CD2-CD1 3.67Å; F19-L25 HydrophobicContact CE1-CD1 4.43Å; F19-L25 HydrophobicContact CE2-CD1 4.07Å; F19-L25 HydrophobicContact CG-CD1 3.65Å; F19-L25 HydrophobicContact CG-CD2 4.05Å; F19-L25 HydrophobicContact CG-CG 4.41Å; F19-L25 HydrophobicContact CZ-CD1 4.42Å; L25-I27 HydrophobicContact CB-CD1 4.43Å; L25-I27 PolarHBondContact O-N 3.31Å; L25-A37 HydrophobicContact CB-CB 4.47Å; L25-A37 HydrophobicContact CD2-CB 4.45Å; L25-M39 HydrophobicContact CD2-CB 4.04Å; L25-M39 HydrophobicContact CD2-SD 4.11Å; L25-M39 HydrophobicContact CG-SD 4.45Å; L25-I46 HydrophobicContact CB-CD1 4.27Å; L25-I46 HydrophobicContact CD1-CD1 4.17Å; L25-I46 HydrophobicContact CD2-CD1 4.11Å; L25-I46 HydrophobicContact CG-CD1 4.41Å; L25-I51 HydrophobicContact CD1-CG2 3.78Å
26K83.8Confident84.8Confident93 Ų9368.7 Ų68.740%0.40433%0.331SS..EExtended strand (participates in β ladder)trans-82.9102.8176177-173.6131.6-158.30108.6M1 I28 A37 E38M1-K26 CarbonylContact O-C 3.44Å; K26-I28 PolarHBondContact O-N 3.38Å; K26-A37 CarbonylContact O-C 3.55Å; K26-A37 WeakPolarHBondContact O-CA 3.32Å; K26-E38 HydrophobicContact CB-CB 4.4Å; K26-E38 WeakPolarHBondContact CD-OE1 3.48Å; K26-E38 WeakPolarHBondContact CE-OE1 3.49Å; K26-E38 PolarHBondContact N-O 3.28Å; K26-E38 IonicContact NZ-OE1 2.69Å; K26-E38 PolarHBondContact NZ-OE1 2.86Å; K26-E38 IonicContact NZ-OE2 2.63Å; K26-E38 PolarHBondContact NZ-OE2 3.12Å; K26-E38 PolarHBondContact O-N 3.13Å
27I86.1Confident84.7Confident7 Ų767.6 Ų67.64%0.03633%0.326CS..EExtended strand (participates in β ladder)trans-72.4122.1176.8-49.4-54.8000109.8M1 A3 L25 N29 L30 C35 A37 I46 I51M1-I27 HydrophobicContact CB-CB 4.16Å; M1-I27 PolarHBondContact N-O 2.73Å; M1-I27 PolarHBondContact O-N 3.33Å; A3-I27 HydrophobicContact CB-CD1 3.85Å; A3-I27 HydrophobicContact CB-CG1 3.77Å; L25-I27 HydrophobicContact CB-CD1 4.43Å; L25-I27 PolarHBondContact O-N 3.31Å; I27-N29 WeakPolarHBondContact CG2-O 3.42Å; I27-L30 HydrophobicContact CG2-CD2 3.71Å; I27-L30 HydrophobicContact CG2-CG 4Å; I27-C35 HydrophobicContact CG2-CB 4.21Å; I27-A37 HydrophobicContact CD1-CB 3.85Å; I27-I46 HydrophobicContact CD1-CD1 3.84Å; I27-I51 HydrophobicContact CD1-CD1 3.83Å
28I81.9Confident84.6Confident75 Ų7570.2 Ų70.239%0.38534%0.338SS..EExtended strand (participates in β ladder)trans-95.9-48.8178.4-65.1177.4000110.2K26 K36 E38 E43K26-I28 PolarHBondContact O-N 3.38Å; I28-K36 PolarHBondContact N-O 3.07Å; I28-E38 HydrophobicContact CD1-CB 3.73Å; I28-E38 HydrophobicContact CG1-CB 4.38Å; I28-E43 HydrophobicContact CD1-CG 4.3Å; I28-E43 WeakPolarHBondContact CD1-OE1 3.44Å
29N79.3Confident84.4Confident79 Ų7969 Ų6942%0.42233%0.327SS..EExtended strand (participates in β ladder)trans-124.3142.9177-15738000111.6I27 E31 C35 K36I27-N29 WeakPolarHBondContact CG2-O 3.42Å; N29-E31 VanDerWaalsContact ND2-CD 3.3Å; N29-E31 WeakPolarHBondContact ND2-CG 3.43Å; N29-E31 PolarHBondContact ND2-OE2 3.15Å; N29-C35 WeakPolarHBondContact O-CA 3.34Å; N29-C35 WeakPolarHBondContact O-CB 3.17Å; N29-K36 HydrophobicContact CB-CB 3.91Å; N29-K36 PolarHBondContact N-O 2.76Å; N29-K36 PolarHBondContact O-N 2.8Å; N29-K36 VanDerWaalsContact O-N 3.12Å
30L74.1Confident83.9Confident87 Ų8776.3 Ų76.346%0.45537%0.367SS..EExtended strand (participates in β ladder)trans-112.9108.2177.4-72166000108.2M1 I27 M53M1-L30 HydrophobicContact SD-CD1 4.13Å; I27-L30 HydrophobicContact CG2-CD2 3.71Å; I27-L30 HydrophobicContact CG2-CG 4Å; L30-M53 HydrophobicContact CD1-CE 4.32Å; L30-M53 HydrophobicContact CD2-CE 3.57Å; L30-M53 HydrophobicContact CD2-SD 4.02Å
31E75.7Confident83.5Confident82 Ų8270.7 Ų70.738%0.38337%0.367SS..  trans-113.5177.5170.1-67.4151.984.900108.2N29 W34 K48N29-E31 VanDerWaalsContact ND2-CD 3.3Å; N29-E31 WeakPolarHBondContact ND2-CG 3.43Å; N29-E31 PolarHBondContact ND2-OE2 3.15Å; E31-W34 CarbonylContact C-O 3.55Å; E31-W34 VanDerWaalsContact C-O 3.26Å; E31-W34 WeakPolarHBondContact CA-O 3.44Å; E31-W34 VanDerWaalsContact CB-O 3.29Å; E31-W34 WeakPolarHBondContact CB-O 3.37Å; E31-W34 PolarHBondContact N-O 3.47Å; E31-K48 PolarHBondContact O-NZ 3.14Å
32D69.8Low83.4Confident139 Ų13970.9 Ų70.974%0.74337%0.37SS*.SBendtrans-72.9-50.9-165-70.5-73.2000114.4K48D32-K48 WeakPolarHBondContact O-CD 3.22Å; D32-K48 WeakPolarHBondContact O-CE 3.31Å; D32-K48 PolarHBondContact O-NZ 3.01Å
33D77.4Confident83.7Confident109 Ų10971.3 Ų71.358%0.58337%0.369SS*.SBendtrans-100.9-30.7178.6-79.1-74.1000113.9K48D33-K48 WeakPolarHBondContact O-CB 3.46Å; D33-K48 PolarHBondContact O-N 3.1Å
34W86.3Confident83.8Confident98 Ų9869 Ų6937%0.37136%0.357SS..EExtended strand (participates in β ladder)trans-120.3160.6-179.4-69.278.6000110.1F9 E16 E31 F45 I46 P47F9-W34 HydrophobicContact CZ-CH2 4.2Å; F9-W34 HydrophobicContact CZ-CZ3 4.1Å; E16-W34 HydrophobicContact CG-CH2 4.39Å; E16-W34 HydrophobicContact CG-CZ3 4.01Å; E16-W34 WeakPolarHBondContact OE1-CH2 3.33Å; E31-W34 CarbonylContact C-O 3.55Å; E31-W34 VanDerWaalsContact C-O 3.26Å; E31-W34 WeakPolarHBondContact CA-O 3.44Å; E31-W34 VanDerWaalsContact CB-O 3.29Å; E31-W34 WeakPolarHBondContact CB-O 3.37Å; E31-W34 PolarHBondContact N-O 3.47Å; W34-F45 HydrophobicContact CE3-CB 3.96Å; W34-I46 CarbonylContact C-O 3.53Å; W34-I46 WeakPolarHBondContact CA-O 3.36Å; W34-P47 HydrophobicContact CD2-CB 4.28Å; W34-P47 HydrophobicContact CE3-CB 4.2Å; W34-P47 HydrophobicContact CH2-CB 4.24Å; W34-P47 HydrophobicContact CH2-CG 4.28Å; W34-P47 HydrophobicContact CZ2-CB 4.3Å; W34-P47 HydrophobicContact CZ3-CB 4.19Å; W34-P47 HydrophobicContact CZ3-CG 4.17Å
35C87Confident84Confident0 Ų068 Ų680%035%0.35CS..EExtended strand (participates in β ladder)trans-138.2137.7176.6-67.40000109I27 N29 F45 I46I27-C35 HydrophobicContact CG2-CB 4.21Å; N29-C35 WeakPolarHBondContact O-CA 3.34Å; N29-C35 WeakPolarHBondContact O-CB 3.17Å; C35-F45 WeakPolarHBondContact O-CA 3.39Å; C35-I46 HydrophobicContact CB-CG1 4.35Å; C35-I46 PolarHBondContact N-O 2.91Å; C35-I46 WeakPolarHBondContact O-CG1 3.25Å; C35-I46 PolarHBondContact O-N 3.32Å
36K87.9Confident84.1Confident57 Ų5768 Ų6825%0.24835%0.35CS..EExtended strand (participates in β ladder)trans-79.9124.3170.1-164.6-173.1-179.3-159.80109.4I28 N29 E43 F45I28-K36 PolarHBondContact N-O 3.07Å; N29-K36 HydrophobicContact CB-CB 3.91Å; N29-K36 PolarHBondContact N-O 2.76Å; N29-K36 PolarHBondContact O-N 2.8Å; N29-K36 VanDerWaalsContact O-N 3.12Å; K36-E43 WeakPolarHBondContact CE-OE1 3.42Å; K36-E43 IonicContact NZ-OE1 2.7Å; K36-E43 PolarHBondContact NZ-OE1 3.27Å; K36-E43 IonicContact NZ-OE2 2.76Å; K36-E43 PolarHBondContact NZ-OE2 2.8Å; K36-F45 HydrophobicContact CB-CD1 4.14Å; K36-F45 HydrophobicContact CB-CE1 3.98Å; K36-F45 HydrophobicContact CG-CE1 4.44Å
37A90.3Very high84.3Confident0 Ų064.3 Ų64.30%034%0.336CS..EExtended strand (participates in β ladder)trans-127166.5-178.700000112.3L17 L25 K26 I27 E43 G44 I46L17-A37 HydrophobicContact CD2-CB 4.05Å; L25-A37 HydrophobicContact CB-CB 4.47Å; L25-A37 HydrophobicContact CD2-CB 4.45Å; K26-A37 CarbonylContact O-C 3.55Å; K26-A37 WeakPolarHBondContact O-CA 3.32Å; I27-A37 HydrophobicContact CD1-CB 3.85Å; A37-E43 WeakPolarHBondContact O-CA 3.34Å; A37-G44 PolarHBondContact N-O 2.92Å; A37-G44 PolarHBondContact O-N 2.64Å; A37-I46 HydrophobicContact CB-CD1 3.49Å; A37-I46 VanDerWaalsContact CB-CD1 3.49Å; A37-I46 HydrophobicContact CB-CG1 3.9Å; A37-I46 HydrophobicContact CB-CG2 4.47Å
38E88.4Confident84.2Confident57 Ų5767 Ų6727%0.26635%0.347SS..EExtended strand (participates in β ladder)trans-129.3134.9173.6178.6-164.4101.600109.5K26 I28 Q42 E43K26-E38 HydrophobicContact CB-CB 4.4Å; K26-E38 WeakPolarHBondContact CD-OE1 3.48Å; K26-E38 WeakPolarHBondContact CE-OE1 3.49Å; K26-E38 PolarHBondContact N-O 3.28Å; K26-E38 IonicContact NZ-OE1 2.69Å; K26-E38 PolarHBondContact NZ-OE1 2.86Å; K26-E38 IonicContact NZ-OE2 2.63Å; K26-E38 PolarHBondContact NZ-OE2 3.12Å; K26-E38 PolarHBondContact O-N 3.13Å; I28-E38 HydrophobicContact CD1-CB 3.73Å; I28-E38 HydrophobicContact CG1-CB 4.38Å; E38-Q42 VanDerWaalsContact CA-O 3.32Å; E38-Q42 WeakPolarHBondContact CA-O 3.29Å; E38-E43 HydrophobicContact CB-CG 4.4Å; E38-E43 HydrophobicContact CG-CG 4.47Å
39M87.1Confident84.5Confident26 Ų2668.6 Ų68.613%0.12836%0.356CS..EExtended strand (participates in β ladder)trans-143.5132.9172-170.8178.66700109.2L17 S18 F19 D23 L25 G41 Q42L17-M39 HydrophobicContact CD1-CB 4.42Å; L17-M39 HydrophobicContact CD2-CB 3.95Å; S18-M39 WeakPolarHBondContact O-CE 3.35Å; F19-M39 HydrophobicContact CB-CE 3.99Å; F19-M39 HydrophobicContact CB-SD 4.17Å; D23-M39 HydrophobicContact CB-SD 3.92Å; L25-M39 HydrophobicContact CD2-CB 4.04Å; L25-M39 HydrophobicContact CD2-SD 4.11Å; L25-M39 HydrophobicContact CG-SD 4.45Å; M39-G41 PolarHBondContact O-N 2.97Å; M39-Q42 PolarHBondContact N-O 3.19Å; M39-Q42 PolarHBondContact O-N 2.87Å
40N83.3Confident84.8Confident163 Ų16369.6 Ų69.687%0.87236%0.355SS*.THydrogen-bonded Turntrans53.822.2-179.8-57-34.8000115.3
41G81.3Confident85.4Confident68 Ų6865.9 Ų65.970%0.70134%0.335SS*.THydrogen-bonded Turntrans86.1-0.7-176.600000115.1M39M39-G41 PolarHBondContact O-N 2.97Å
42Q84.3Confident85.8Confident121 Ų12165.4 Ų65.457%0.56534%0.335SS*.EExtended strand (participates in β ladder)trans-91.8132166.7-172.4172.1-4.800109.3L17 E38 M39L17-Q42 HydrophobicContact CD1-CB 4.07Å; L17-Q42 HydrophobicContact CD1-CG 3.97Å; E38-Q42 VanDerWaalsContact CA-O 3.32Å; E38-Q42 WeakPolarHBondContact CA-O 3.29Å; M39-Q42 PolarHBondContact N-O 3.19Å; M39-Q42 PolarHBondContact O-N 2.87Å
43E90.9Very high86.2Confident93 Ų9361.5 Ų61.544%0.43531%0.313SS..EExtended strand (participates in β ladder)trans-97.8152.9171-66.5-167.6105.300110.8I28 K36 A37 E38I28-E43 HydrophobicContact CD1-CG 4.3Å; I28-E43 WeakPolarHBondContact CD1-OE1 3.44Å; K36-E43 WeakPolarHBondContact CE-OE1 3.42Å; K36-E43 IonicContact NZ-OE1 2.7Å; K36-E43 PolarHBondContact NZ-OE1 3.27Å; K36-E43 IonicContact NZ-OE2 2.76Å; K36-E43 PolarHBondContact NZ-OE2 2.8Å; A37-E43 WeakPolarHBondContact O-CA 3.34Å; E38-E43 HydrophobicContact CB-CG 4.4Å; E38-E43 HydrophobicContact CG-CG 4.47Å
44G90.4Very high85.7Confident4 Ų459.7 Ų59.74%0.04130%0.301CS..EExtended strand (participates in β ladder)trans177.7175.7168.200000112.6D15 A37D15-G44 CarbonylContact O-C 3.47Å; D15-G44 WeakPolarHBondContact O-CA 3.46Å; A37-G44 PolarHBondContact N-O 2.92Å; A37-G44 PolarHBondContact O-N 2.64Å
45F90.2Very high84.8Confident70 Ų7058.4 Ų58.431%0.30731%0.305SS..EExtended strand (participates in β ladder)trans-82.6142.9175.7-67.4-79.9000111.4D15 E16 L17 W34 C35 K36D15-F45 HydrophobicContact CB-CD2 4.33Å; D15-F45 PolarHBondContact O-N 3.02Å; E16-F45 WeakPolarHBondContact CA-O 3.43Å; L17-F45 PolarHBondContact N-O 3.36Å; W34-F45 HydrophobicContact CE3-CB 3.96Å; C35-F45 WeakPolarHBondContact O-CA 3.39Å; K36-F45 HydrophobicContact CB-CD1 4.14Å; K36-F45 HydrophobicContact CB-CE1 3.98Å; K36-F45 HydrophobicContact CG-CE1 4.44Å
46I91.4Very high84.2Confident0 Ų060.2 Ų60.20%032%0.316CS..EExtended strand (participates in β ladder)trans-133.1142174.660.7177.6000110.7L17 F19 L25 I27 W34 C35 A37 K48 I51L17-I46 HydrophobicContact CB-CG2 3.78Å; L17-I46 HydrophobicContact CD2-CG2 4.4Å; L17-I46 HydrophobicContact CG-CG2 4.37Å; L17-I46 WeakPolarHBondContact O-CG2 3.3Å; F19-I46 HydrophobicContact CD1-CB 4.41Å; F19-I46 HydrophobicContact CD1-CG2 3.75Å; F19-I46 HydrophobicContact CE1-CB 3.69Å; F19-I46 HydrophobicContact CE1-CD1 4.34Å; F19-I46 HydrophobicContact CE1-CG2 3.52Å; L25-I46 HydrophobicContact CB-CD1 4.27Å; L25-I46 HydrophobicContact CD1-CD1 4.17Å; L25-I46 HydrophobicContact CD2-CD1 4.11Å; L25-I46 HydrophobicContact CG-CD1 4.41Å; I27-I46 HydrophobicContact CD1-CD1 3.84Å; W34-I46 CarbonylContact C-O 3.53Å; W34-I46 WeakPolarHBondContact CA-O 3.36Å; C35-I46 HydrophobicContact CB-CG1 4.35Å; C35-I46 PolarHBondContact N-O 2.91Å; C35-I46 WeakPolarHBondContact O-CG1 3.25Å; C35-I46 PolarHBondContact O-N 3.32Å; A37-I46 HydrophobicContact CB-CD1 3.49Å; A37-I46 VanDerWaalsContact CB-CD1 3.49Å; A37-I46 HydrophobicContact CB-CG1 3.9Å; A37-I46 HydrophobicContact CB-CG2 4.47Å; I46-K48 PolarHBondContact O-N 2.97Å; I46-I51 HydrophobicContact CD1-CD1 4.06Å; I46-I51 HydrophobicContact CD1-CG2 3.65Å; I46-I51 HydrophobicContact CG1-CD1 4.5Å
47P87.6Confident83.5Confident16 Ų1664 Ų6410%0.10434%0.339CS..EExtended strand (participates in β ladder)trans-74126.2179.425.5-27.6000110F9 W34 N49 Y50F9-P47 HydrophobicContact CD2-CG 3.78Å; F9-P47 HydrophobicContact CE2-CG 3.66Å; F9-P47 HydrophobicContact CG-CG 4.36Å; F9-P47 HydrophobicContact CZ-CG 4.12Å; W34-P47 HydrophobicContact CD2-CB 4.28Å; W34-P47 HydrophobicContact CE3-CB 4.2Å; W34-P47 HydrophobicContact CH2-CB 4.24Å; W34-P47 HydrophobicContact CH2-CG 4.28Å; W34-P47 HydrophobicContact CZ2-CB 4.3Å; W34-P47 HydrophobicContact CZ3-CB 4.19Å; W34-P47 HydrophobicContact CZ3-CG 4.17Å; P47-N49 PolarHBondContact O-N 2.88Å; P47-N49 VanDerWaalsContact O-N 3.13Å; P47-Y50 HydrophobicContact CB-CD2 4.19Å; P47-Y50 HydrophobicContact CG-CD2 3.77Å; P47-Y50 HydrophobicContact CG-CE2 4.48Å; P47-Y50 HydrophobicContact CG-CG 3.97Å; P47-Y50 PolarHBondContact O-N 2.86Å
48K84.4Confident83.3Confident62 Ų6265.2 Ų65.227%0.2734%0.344SS..G310 helixtrans-59.3-30.4-172.2-167.3-179.8-171.3169.10113E31 D32 D33 I46 Y50 I51E31-K48 PolarHBondContact O-NZ 3.14Å; D32-K48 WeakPolarHBondContact O-CD 3.22Å; D32-K48 WeakPolarHBondContact O-CE 3.31Å; D32-K48 PolarHBondContact O-NZ 3.01Å; D33-K48 WeakPolarHBondContact O-CB 3.46Å; D33-K48 PolarHBondContact O-N 3.1Å; I46-K48 PolarHBondContact O-N 2.97Å; K48-Y50 VanDerWaalsContact C-N 3.28Å; K48-Y50 PolarHBondContact O-N 3.3Å; K48-I51 WeakPolarHBondContact O-CG1 3.35Å; K48-I51 PolarHBondContact O-N 3.39Å
49N87.4Confident83.2Confident110 Ų11063.6 Ų63.659%0.58834%0.336SS*.G310 helixtrans-70.9-16.3176.3-72.7-59.9000114.6P47P47-N49 PolarHBondContact O-N 2.88Å; P47-N49 VanDerWaalsContact O-N 3.13Å
50Y86.8Confident83.1Confident100 Ų10065.5 Ų65.539%0.39234%0.343SS..G310 helixtrans-92.6-6.1176.6-79.6-117.8000113.3K6 Y7 D8 F9 P47 K48K6-Y50 VanDerWaalsContact CB-O 3.29Å; K6-Y50 WeakPolarHBondContact CB-O 3.34Å; K6-Y50 PolarHBondContact N-O 3.32Å; Y7-Y50 HydrophobicContact CD2-CD1 4.18Å; Y7-Y50 HydrophobicContact CD2-CG 4.28Å; Y7-Y50 PolarHBondContact N-O 3.16Å; D8-Y50 WeakPolarHBondContact O-CD1 3.21Å; D8-Y50 WeakPolarHBondContact O-CE1 3.28Å; F9-Y50 HydrophobicContact CB-CD1 4Å; F9-Y50 HydrophobicContact CD2-CD1 4.24Å; F9-Y50 HydrophobicContact CD2-CE1 4.43Å; P47-Y50 HydrophobicContact CB-CD2 4.19Å; P47-Y50 HydrophobicContact CG-CD2 3.77Å; P47-Y50 HydrophobicContact CG-CE2 4.48Å; P47-Y50 HydrophobicContact CG-CG 3.97Å; P47-Y50 PolarHBondContact O-N 2.86Å; K48-Y50 VanDerWaalsContact C-N 3.28Å; K48-Y50 PolarHBondContact O-N 3.3Å
51I86.4Confident83.1Confident9 Ų963.1 Ų63.15%0.04633%0.327CS..EExtended strand (participates in β ladder)trans-108.9143.2172.453.5173.7000111.4A3 R4 F19 L25 I27 I46 K48 M53A3-I51 HydrophobicContact CB-CB 3.99Å; A3-I51 HydrophobicContact CB-CD1 3.84Å; A3-I51 HydrophobicContact CB-CG1 4.39Å; A3-I51 HydrophobicContact CB-CG2 4.34Å; R4-I51 CarbonylContact O-C 3.58Å; R4-I51 WeakPolarHBondContact O-CA 3.14Å; F19-I51 HydrophobicContact CE2-CG2 4.15Å; F19-I51 HydrophobicContact CZ-CG2 3.91Å; L25-I51 HydrophobicContact CD1-CG2 3.78Å; I27-I51 HydrophobicContact CD1-CD1 3.83Å; I46-I51 HydrophobicContact CD1-CD1 4.06Å; I46-I51 HydrophobicContact CD1-CG2 3.65Å; I46-I51 HydrophobicContact CG1-CD1 4.5Å; K48-I51 WeakPolarHBondContact O-CG1 3.35Å; K48-I51 PolarHBondContact O-N 3.39Å; I51-M53 HydrophobicContact CD1-CG 4.3Å
52D83Confident83.1Confident71 Ų7165.6 Ų65.638%0.3832%0.324SS..EExtended strand (participates in β ladder)trans-88.4107.1159.7-173.3-108.3000106.1A3 R4 K6 Q54A3-D52 CarbonylContact C-O 3.25Å; A3-D52 WeakPolarHBondContact CA-O 3.22Å; R4-D52 HydrophobicContact CB-CB 4.47Å; R4-D52 PolarHBondContact N-O 3.14Å; R4-D52 PolarHBondContact O-N 2.99Å; K6-D52 HydrophobicContact CB-CB 4.38Å; D52-Q54 PolarHBondContact O-N 2.96Å; D52-Q54 PolarHBondContact OD1-NE2 2.88Å
53M78.1Confident83.1Confident57 Ų5759.9 Ų59.928%0.28130%0.298SS..EExtended strand (participates in β ladder)trans-64.3110.2174.9-77.4-172.364.300108.2M1 L30 I51 T55M1-M53 HydrophobicContact CE-CE 4.03Å; M1-M53 HydrophobicContact SD-CE 3.45Å; M1-M53 WeakPolarHBondContact SD-CE 3.44Å; L30-M53 HydrophobicContact CD1-CE 4.32Å; L30-M53 HydrophobicContact CD2-CE 3.57Å; L30-M53 HydrophobicContact CD2-SD 4.02Å; I51-M53 HydrophobicContact CD1-CG 4.3Å; M53-T55 PolarHBondContact O-N 3.25Å
54Q66.9Low83Confident71 Ų7156.4 Ų56.433%0.33228%0.284SS..  trans-78.170.3-179.8-64.4-91.8-80.800108.1E2 R4 D52 P56E2-Q54 PolarHBondContact O-N 2.98Å; R4-Q54 HydrophobicContact CB-CG 3.55Å; D52-Q54 PolarHBondContact O-N 2.96Å; D52-Q54 PolarHBondContact OD1-NE2 2.88Å; Q54-P56 WeakPolarHBondContact O-CD 3.46Å
55T67Low83Confident72 Ų7262.5 Ų62.544%0.44231%0.305SS..  trans-64.4105.2154.645.20000106.4M1 M53 F59M1-T55 HydrophobicContact CE-CG2 3.55Å; M53-T55 PolarHBondContact O-N 3.25Å; T55-F59 HydrophobicContact CG2-CD1 4.25Å
56P74.3Confident83Confident37 Ų3762.8 Ų62.824%0.2432%0.316CS..  trans-66.2160.2-176.2-19.736.7000109.2Q54 W58 F59Q54-P56 WeakPolarHBondContact O-CD 3.46Å; P56-W58 HydrophobicContact CB-CD2 3.86Å; P56-W58 HydrophobicContact CB-CG 4.08Å; P56-W58 HydrophobicContact CB-CZ2 3.99Å; P56-W58 HydrophobicContact CG-CD2 4.28Å; P56-W58 HydrophobicContact CG-CH2 4.03Å; P56-W58 HydrophobicContact CG-CZ2 3.64Å; P56-W58 PolarHBondContact O-N 2.84Å; P56-F59 PolarHBondContact O-N 2.81Å
57D74.6Confident83Confident138 Ų13866.8 Ų66.874%0.73834%0.335SS*.THydrogen-bonded Turntrans-60-20.7-179.3-73-72.3000114.1K60D57-K60 WeakPolarHBondContact O-CE 3.35Å
58W85.4Confident83.1Confident24 Ų2466 Ų669%0.09133%0.33CS..THydrogen-bonded Turntrans-81.6-1.7170.857-110.2000115P56 F80 V81 I82 V129 D147P56-W58 HydrophobicContact CB-CD2 3.86Å; P56-W58 HydrophobicContact CB-CG 4.08Å; P56-W58 HydrophobicContact CB-CZ2 3.99Å; P56-W58 HydrophobicContact CG-CD2 4.28Å; P56-W58 HydrophobicContact CG-CH2 4.03Å; P56-W58 HydrophobicContact CG-CZ2 3.64Å; P56-W58 PolarHBondContact O-N 2.84Å; W58-F80 HydrophobicContact CB-CD2 3.9Å; W58-F80 HydrophobicContact CB-CE1 4.18Å; W58-F80 HydrophobicContact CB-CE2 3.46Å; W58-F80 VanDerWaalsContact CB-CE2 3.46Å; W58-F80 HydrophobicContact CB-CG 4.43Å; W58-F80 HydrophobicContact CB-CZ 3.61Å; W58-F80 AromaticContact CD1-CE2 4Å; W58-F80 AromaticContact CD1-CZ 3.4Å; W58-F80 VanDerWaalsContact CD1-CZ 3.4Å; W58-F80 AromaticContact CD2-CE2 3.62Å; W58-F80 HydrophobicContact CD2-CE2 3.62Å; W58-F80 AromaticContact CD2-CZ 3.77Å; W58-F80 HydrophobicContact CD2-CZ 3.77Å; W58-F80 AromaticContact CE3-CE2 3.98Å; W58-F80 HydrophobicContact CE3-CE2 3.98Å; W58-F80 HydrophobicContact CG-CD2 4.35Å; W58-F80 HydrophobicContact CG-CE1 4.21Å; W58-F80 AromaticContact CG-CE2 3.43Å; W58-F80 HydrophobicContact CG-CE2 3.43Å; W58-F80 VanDerWaalsContact CG-CE2 3.43Å; W58-F80 AromaticContact CG-CZ 3.33Å; W58-F80 HydrophobicContact CG-CZ 3.33Å; W58-F80 AromaticContact NE1-CZ 3.83Å; W58-V81 CarbonylContact O-C 3.5Å; W58-V81 VanDerWaalsContact O-CA 3.28Å; W58-V81 WeakPolarHBondContact O-CA 3.36Å; W58-I82 HydrophobicContact CE3-CB 4.33Å; W58-I82 HydrophobicContact CE3-CD1 4.09Å; W58-I82 HydrophobicContact CE3-CG1 4Å; W58-I82 HydrophobicContact CZ3-CD1 3.91Å; W58-I82 HydrophobicContact CZ3-CG1 4.28Å; W58-I82 PolarHBondContact O-N 3Å; W58-V129 HydrophobicContact CE3-CG2 4.29Å; W58-V129 HydrophobicContact CH2-CB 4.34Å; W58-V129 HydrophobicContact CH2-CG2 3.92Å; W58-V129 HydrophobicContact CZ2-CB 4.24Å; W58-V129 HydrophobicContact CZ2-CG1 3.97Å; W58-V129 HydrophobicContact CZ2-CG2 4.18Å; W58-V129 HydrophobicContact CZ3-CG2 3.97Å; W58-D147 PolarHBondContact NE1-OD1 2.82Å
59F86.4Confident83.5Confident23 Ų2366 Ų6610%0.10133%0.331CS..EExtended strand (participates in β ladder)trans-111.8114.6176.2-170.4-97.6000110.8M1 T55 P56 E61 I82 F92 L125M1-F59 HydrophobicContact CE-CD1 4.4Å; M1-F59 HydrophobicContact CE-CE1 4.17Å; T55-F59 HydrophobicContact CG2-CD1 4.25Å; P56-F59 PolarHBondContact O-N 2.81Å; F59-E61 HydrophobicContact CE1-CB 3.88Å; F59-E61 HydrophobicContact CZ-CB 4.02Å; F59-E61 HydrophobicContact CZ-CG 4.48Å; F59-I82 HydrophobicContact CD2-CB 4.11Å; F59-I82 HydrophobicContact CD2-CG2 4.02Å; F59-I82 HydrophobicContact CE2-CG2 4.15Å; F59-F92 HydrophobicContact CE2-CD1 4.09Å; F59-F92 AromaticContact CE2-CE1 3.84Å; F59-F92 HydrophobicContact CE2-CE1 3.84Å; F59-F92 HydrophobicContact CZ-CD1 4.42Å; F59-F92 AromaticContact CZ-CE1 3.75Å; F59-F92 HydrophobicContact CZ-CE1 3.75Å; F59-F92 HydrophobicContact CZ-CZ 4.39Å; F59-L125 HydrophobicContact CD2-CD1 4.45Å; F59-L125 HydrophobicContact CE2-CD1 3.84Å
60K85.4Confident83.7Confident66 Ų6666 Ų6629%0.28733%0.327SS..EExtended strand (participates in β ladder)trans-138.381.5-179.9-54.8-64.8169.7-157.30108.8D57 D62 A63 V81 I82 R83D57-K60 WeakPolarHBondContact O-CE 3.35Å; K60-D62 PolarHBondContact O-N 3.42Å; K60-A63 HydrophobicContact CB-CB 3.67Å; K60-A63 WeakPolarHBondContact O-CB 3.27Å; K60-A63 PolarHBondContact O-N 2.79Å; K60-V81 HydrophobicContact CB-CG2 3.89Å; K60-V81 HydrophobicContact CG-CG2 3.69Å; K60-I82 PolarHBondContact N-O 2.91Å; K60-R83 VanDerWaalsContact O-CA 3.22Å; K60-R83 WeakPolarHBondContact O-CA 3.3Å; K60-R83 VanDerWaalsContact O-CB 3.27Å; K60-R83 WeakPolarHBondContact O-CB 3.43Å
61E82.8Confident83.8Confident114 Ų11465.5 Ų65.553%0.53333%0.331SS..THydrogen-bonded Turntrans-58.4-37.4-172.7-172.7165.97700112.7F59 A63 G84 F92F59-E61 HydrophobicContact CE1-CB 3.88Å; F59-E61 HydrophobicContact CZ-CB 4.02Å; F59-E61 HydrophobicContact CZ-CG 4.48Å; E61-A63 VanDerWaalsContact C-N 3.32Å; E61-A63 PolarHBondContact O-N 2.87Å; E61-G84 VanDerWaalsContact O-CA 3.29Å; E61-G84 WeakPolarHBondContact O-CA 3.39Å; E61-G84 PolarHBondContact O-N 2.88Å; E61-F92 HydrophobicContact CG-CE1 4.28Å; E61-F92 VanDerWaalsContact OE2-CE1 3.26Å; E61-F92 WeakPolarHBondContact OE2-CE1 3.47Å
62D80.9Confident84Confident120 Ų12065.1 Ų65.164%0.64233%0.329SS*.THydrogen-bonded Turntrans-66-25.3175.460.5-65.2000114.5K60 S64K60-D62 PolarHBondContact O-N 3.42Å; D62-S64 PolarHBondContact O-N 2.81Å
63A84.9Confident84.2Confident1 Ų167.7 Ų67.71%0.00833%0.333CS..  trans-67.6130.6-165.800000112.7K60 E61 R83K60-A63 HydrophobicContact CB-CB 3.67Å; K60-A63 WeakPolarHBondContact O-CB 3.27Å; K60-A63 PolarHBondContact O-N 2.79Å; E61-A63 VanDerWaalsContact C-N 3.32Å; E61-A63 PolarHBondContact O-N 2.87Å; A63-R83 HydrophobicContact CB-CB 4.12Å; A63-R83 WeakPolarHBondContact O-CB 3.43Å; A63-R83 WeakPolarHBondContact O-CD 3.46Å
64S89.3Confident84.6Confident19 Ų1973.6 Ų73.613%0.13336%0.36CS..  trans-69.5169175.784.80000112.4D62 S66 Q67 A68 R83D62-S64 PolarHBondContact O-N 2.81Å; S64-S66 PolarHBondContact OG-N 2.85Å; S64-S66 PolarHBondContact OG-OG 3.33Å; S64-S66 VanDerWaalsContact OG-OG 3.13Å; S64-Q67 VanDerWaalsContact N-OE1 3.13Å; S64-Q67 PolarHBondContact O-N 2.86Å; S64-Q67 WeakPolarHBondContact OG-CB 3.47Å; S64-Q67 PolarHBondContact OG-N 3.41Å; S64-A68 WeakPolarHBondContact O-CB 3.36Å; S64-A68 PolarHBondContact O-N 3.4Å; S64-R83 WeakPolarHBondContact O-CD 3.22Å
65R88.8Confident85.6Confident133 Ų13374.8 Ų74.850%0.50236%0.364SS..Hα-helixtrans-57.4-50.1171.5-179.4-176.9164.1175.8-5.3111.7A68 E69 H104R65-A68 PolarHBondContact O-N 2.8Å; R65-E69 IonicContact CZ-OE1 3.84Å; R65-E69 IonicContact NE-OE1 2.68Å; R65-E69 PolarHBondContact NE-OE1 3.01Å; R65-E69 IonicContact NH2-OE1 2.64Å; R65-E69 PolarHBondContact NH2-OE1 3.02Å; R65-E69 WeakPolarHBondContact O-CG 3.34Å; R65-E69 PolarHBondContact O-N 2.88Å; R65-H104 PolarHBondContact NE-CD2 3.17Å; R65-H104 PolarHBondContact NE-NE2 3.21Å; R65-H104 VanDerWaalsContact NE-NE2 3.15Å
66S90.8Very high86.7Confident76 Ų7675.4 Ų75.453%0.53137%0.368SS..Hα-helixtrans-70.2-32-177.347.40000112.8S64 E69 E70S64-S66 PolarHBondContact OG-N 2.85Å; S64-S66 PolarHBondContact OG-OG 3.33Å; S64-S66 VanDerWaalsContact OG-OG 3.13Å; S66-E69 WeakPolarHBondContact O-CB 3.45Å; S66-E69 PolarHBondContact O-N 3.48Å; S66-E70 PolarHBondContact O-N 3.06Å
67Q90.8Very high87.4Confident83 Ų8376.8 Ų76.839%0.38838%0.375SS..Hα-helixtrans-67.5-38.5173.5-170.5179.1600111.2S64 E70 L71S64-Q67 VanDerWaalsContact N-OE1 3.13Å; S64-Q67 PolarHBondContact O-N 2.86Å; S64-Q67 WeakPolarHBondContact OG-CB 3.47Å; S64-Q67 PolarHBondContact OG-N 3.41Å; Q67-E70 PolarHBondContact O-N 3.47Å; Q67-L71 HydrophobicContact CG-CD1 4.32Å; Q67-L71 WeakPolarHBondContact O-CB 3.4Å; Q67-L71 WeakPolarHBondContact O-CG 3.43Å; Q67-L71 PolarHBondContact O-N 2.95Å
68A90.4Very high88Confident0 Ų070.3 Ų70.30%034%0.341CS..Hα-helixtrans-67.2-34.7170.300000112.8S64 R65 L72 V81S64-A68 WeakPolarHBondContact O-CB 3.36Å; S64-A68 PolarHBondContact O-N 3.4Å; R65-A68 PolarHBondContact O-N 2.8Å; A68-L72 WeakPolarHBondContact O-CB 3.42Å; A68-L72 VanDerWaalsContact O-CG 3.26Å; A68-L72 WeakPolarHBondContact O-CG 3.49Å; A68-L72 PolarHBondContact O-N 2.8Å; A68-V81 HydrophobicContact CB-CG1 3.58Å
69E92.4Very high88.3Confident63 Ų6369.7 Ų69.729%0.29434%0.339SS..Hα-helixtrans-63.6-41.2171.7-70166.1168.400111.3R65 S66 R73 V102 H104R65-E69 IonicContact CZ-OE1 3.84Å; R65-E69 IonicContact NE-OE1 2.68Å; R65-E69 PolarHBondContact NE-OE1 3.01Å; R65-E69 IonicContact NH2-OE1 2.64Å; R65-E69 PolarHBondContact NH2-OE1 3.02Å; R65-E69 WeakPolarHBondContact O-CG 3.34Å; R65-E69 PolarHBondContact O-N 2.88Å; S66-E69 WeakPolarHBondContact O-CB 3.45Å; S66-E69 PolarHBondContact O-N 3.48Å; E69-R73 WeakPolarHBondContact O-CB 3.34Å; E69-R73 PolarHBondContact O-N 2.82Å; E69-V102 HydrophobicContact CG-CB 4.2Å; E69-V102 HydrophobicContact CG-CG1 4.41Å; E69-H104 IonicContact OE1-CE1 3.22Å; E69-H104 IonicContact OE1-NE2 3.07Å; E69-H104 PolarHBondContact OE1-NE2 3.05Å; E69-H104 VanDerWaalsContact OE1-NE2 3.07Å
70E91.8Very high88.6Confident108 Ų10868.9 Ų68.951%0.50534%0.336SS..Hα-helixtrans-71.1-46.6177.3-179.3148-116.700113.6S66 Q67 L72 R73S66-E70 PolarHBondContact O-N 3.06Å; Q67-E70 PolarHBondContact O-N 3.47Å; E70-L72 PolarHBondContact O-N 3.3Å; E70-L72 VanDerWaalsContact O-N 3.13Å; E70-R73 WeakPolarHBondContact O-CB 3.3Å; E70-R73 PolarHBondContact O-N 2.85Å; E70-R73 VanDerWaalsContact O-N 3.13Å; E70-R73 IonicContact OE1-CZ 3.38Å; E70-R73 IonicContact OE1-NH1 3.33Å; E70-R73 PolarHBondContact OE1-NH1 2.84Å; E70-R73 IonicContact OE1-NH2 2.73Å; E70-R73 PolarHBondContact OE1-NH2 3.29Å
71L89.3Confident88.9Confident90 Ų9066 Ų6647%0.47132%0.324SS..Hα-helixtrans-58.1-25.2176.1-75.6169.8000113.2Q67Q67-L71 HydrophobicContact CG-CD1 4.32Å; Q67-L71 WeakPolarHBondContact O-CB 3.4Å; Q67-L71 WeakPolarHBondContact O-CG 3.43Å; Q67-L71 PolarHBondContact O-N 2.95Å
72L90.4Very high89.3Confident2 Ų260.6 Ų60.61%0.0130%0.298CS..Hα-helixtrans-101.7-16.1179.1-66.7179.6000113.6A68 E70 H74 K75 D79 V81 S95 K97 V102A68-L72 WeakPolarHBondContact O-CB 3.42Å; A68-L72 VanDerWaalsContact O-CG 3.26Å; A68-L72 WeakPolarHBondContact O-CG 3.49Å; A68-L72 PolarHBondContact O-N 2.8Å; E70-L72 PolarHBondContact O-N 3.3Å; E70-L72 VanDerWaalsContact O-N 3.13Å; L72-H74 VanDerWaalsContact C-N 3.27Å; L72-H74 PolarHBondContact O-N 2.85Å; L72-H74 VanDerWaalsContact O-N 3.16Å; L72-K75 HydrophobicContact CD2-CD 4.11Å; L72-K75 PolarHBondContact O-N 2.79Å; L72-D79 HydrophobicContact CD2-CB 4.14Å; L72-V81 HydrophobicContact CD1-CG1 4.08Å; L72-V81 HydrophobicContact CG-CG1 4.3Å; L72-S95 WeakPolarHBondContact CD1-O 3.4Å; L72-K97 HydrophobicContact CB-CB 4.24Å; L72-K97 WeakPolarHBondContact O-CD 3.29Å; L72-V102 HydrophobicContact CB-CG2 3.75Å; L72-V102 HydrophobicContact CD1-CG1 3.76Å; L72-V102 HydrophobicContact CD1-CG2 4.31Å
73R88Confident89.7Confident124 Ų12455.6 Ų55.647%0.46827%0.271SS..Hα-helixtrans-49.8-46.7-174.2179.6171.964.6-152-12.2112.9E69 E70 K97E69-R73 WeakPolarHBondContact O-CB 3.34Å; E69-R73 PolarHBondContact O-N 2.82Å; E70-R73 WeakPolarHBondContact O-CB 3.3Å; E70-R73 PolarHBondContact O-N 2.85Å; E70-R73 VanDerWaalsContact O-N 3.13Å; E70-R73 IonicContact OE1-CZ 3.38Å; E70-R73 IonicContact OE1-NH1 3.33Å; E70-R73 PolarHBondContact OE1-NH1 2.84Å; E70-R73 IonicContact OE1-NH2 2.73Å; E70-R73 PolarHBondContact OE1-NH2 3.29Å; R73-K97 PolarHBondContact O-NZ 3Å
74H85.5Confident89.7Confident181 Ų18156.1 Ų56.184%0.83828%0.277SS*.THydrogen-bonded Turntrans-96.58-176.2-57.2-65000114.2L72L72-H74 VanDerWaalsContact C-N 3.27Å; L72-H74 PolarHBondContact O-N 2.85Å; L72-H74 VanDerWaalsContact O-N 3.16Å
75K88.8Confident89Confident96 Ų9656.2 Ų56.242%0.41728%0.277SS..SBendtrans-94174.4-179.8-73.2-152.6-178.4-1690113L72 D79 K97L72-K75 HydrophobicContact CD2-CD 4.11Å; L72-K75 PolarHBondContact O-N 2.79Å; K75-D79 HydrophobicContact CB-CB 3.7Å; K75-D79 HydrophobicContact CD-CB 3.67Å; K75-D79 HydrophobicContact CG-CB 4.37Å; K75-D79 IonicContact NZ-OD1 2.8Å; K75-K97 WeakPolarHBondContact O-CE 3.41Å
76T89.2Confident88.1Confident85 Ų8556.2 Ų56.252%0.52128%0.283SS..  trans-85.2160-177.670.70000112.3G78 D79 K97T76-G78 PolarHBondContact O-N 2.92Å; T76-D79 WeakPolarHBondContact CA-OD2 3.42Å; T76-D79 WeakPolarHBondContact CB-OD2 3.11Å; T76-D79 PolarHBondContact N-OD2 3.46Å; T76-D79 WeakPolarHBondContact O-CB 3.12Å; T76-D79 PolarHBondContact O-N 2.83Å; T76-D79 VanDerWaalsContact O-N 3.12Å; T76-D79 PolarHBondContact OG1-OD2 2.83Å; T76-K97 VanDerWaalsContact O-CB 3.29Å; T76-K97 WeakPolarHBondContact O-CB 3.21Å; T76-K97 WeakPolarHBondContact O-CG 3.27Å
77V89.8Confident87.1Confident67 Ų6757.9 Ų57.941%0.40629%0.294SS..THydrogen-bonded Turntrans-66.8117.6179.4177.60000109.9K97 Q146V77-K97 WeakPolarHBondContact CA-O 3.07Å; V77-Q146 PolarHBondContact O-NE2 2.9Å
78G86.5Confident86Confident1 Ų155.6 Ų55.61%0.0129%0.287CS..THydrogen-bonded Turntrans110.7-18.7-174.200000114.6T76 K97 C144 L145 Q146T76-G78 PolarHBondContact O-N 2.92Å; G78-K97 PolarHBondContact N-O 3.4Å; G78-C144 VanDerWaalsContact CA-O 3.23Å; G78-C144 WeakPolarHBondContact CA-O 3.07Å; G78-L145 CarbonylContact O-C 3.58Å; G78-L145 WeakPolarHBondContact O-CA 3.35Å; G78-Q146 PolarHBondContact O-N 2.9Å
79D92.1Very high84.7Confident11 Ų1162 Ų626%0.05933%0.329CS..BIsolated β-bridgetrans-58.9139.3167.9-85-72.1000110.6L72 K75 T76 V96 K97 G148L72-D79 HydrophobicContact CD2-CB 4.14Å; K75-D79 HydrophobicContact CB-CB 3.7Å; K75-D79 HydrophobicContact CD-CB 3.67Å; K75-D79 HydrophobicContact CG-CB 4.37Å; K75-D79 IonicContact NZ-OD1 2.8Å; T76-D79 WeakPolarHBondContact CA-OD2 3.42Å; T76-D79 WeakPolarHBondContact CB-OD2 3.11Å; T76-D79 PolarHBondContact N-OD2 3.46Å; T76-D79 WeakPolarHBondContact O-CB 3.12Å; T76-D79 PolarHBondContact O-N 2.83Å; T76-D79 VanDerWaalsContact O-N 3.12Å; T76-D79 PolarHBondContact OG1-OD2 2.83Å; D79-V96 WeakPolarHBondContact O-CA 3.13Å; D79-K97 HydrophobicContact CB-CB 4.36Å; D79-K97 WeakPolarHBondContact O-CB 3.19Å; D79-K97 PolarHBondContact O-N 2.7Å; D79-G148 WeakPolarHBondContact OD1-CA 3.25Å
80F92.9Very high83.5Confident6 Ų662 Ų623%0.02635%0.346CS..EExtended strand (participates in β ladder)trans-143.8162.8-172.472.5-75.6000114.2W58 I82 I94 S95 V96 V129 L145 Q146W58-F80 HydrophobicContact CB-CD2 3.9Å; W58-F80 HydrophobicContact CB-CE1 4.18Å; W58-F80 HydrophobicContact CB-CE2 3.46Å; W58-F80 VanDerWaalsContact CB-CE2 3.46Å; W58-F80 HydrophobicContact CB-CG 4.43Å; W58-F80 HydrophobicContact CB-CZ 3.61Å; W58-F80 AromaticContact CD1-CE2 4Å; W58-F80 AromaticContact CD1-CZ 3.4Å; W58-F80 VanDerWaalsContact CD1-CZ 3.4Å; W58-F80 AromaticContact CD2-CE2 3.62Å; W58-F80 HydrophobicContact CD2-CE2 3.62Å; W58-F80 AromaticContact CD2-CZ 3.77Å; W58-F80 HydrophobicContact CD2-CZ 3.77Å; W58-F80 AromaticContact CE3-CE2 3.98Å; W58-F80 HydrophobicContact CE3-CE2 3.98Å; W58-F80 HydrophobicContact CG-CD2 4.35Å; W58-F80 HydrophobicContact CG-CE1 4.21Å; W58-F80 AromaticContact CG-CE2 3.43Å; W58-F80 HydrophobicContact CG-CE2 3.43Å; W58-F80 VanDerWaalsContact CG-CE2 3.43Å; W58-F80 AromaticContact CG-CZ 3.33Å; W58-F80 HydrophobicContact CG-CZ 3.33Å; W58-F80 AromaticContact NE1-CZ 3.83Å; F80-I82 HydrophobicContact CD2-CG1 4.29Å; F80-I82 HydrophobicContact CE2-CG1 4.31Å; F80-I94 HydrophobicContact CB-CG2 4.43Å; F80-I94 HydrophobicContact CD2-CG2 4.13Å; F80-S95 CarbonylContact C-O 3.57Å; F80-S95 VanDerWaalsContact CA-O 3.22Å; F80-S95 WeakPolarHBondContact CA-O 3.15Å; F80-S95 WeakPolarHBondContact CB-O 3.48Å; F80-V96 HydrophobicContact CB-CB 4.06Å; F80-V96 HydrophobicContact CB-CG2 4.1Å; F80-V129 HydrophobicContact CE1-CG1 4.49Å; F80-V129 HydrophobicContact CE2-CG1 3.88Å; F80-V129 HydrophobicContact CE2-CG2 3.87Å; F80-V129 HydrophobicContact CZ-CG1 3.48Å; F80-V129 VanDerWaalsContact CZ-CG1 3.48Å; F80-V129 HydrophobicContact CZ-CG2 4.34Å; F80-L145 HydrophobicContact CB-CD2 3.83Å; F80-L145 HydrophobicContact CD1-CB 3.74Å; F80-L145 HydrophobicContact CD1-CD1 4.5Å; F80-L145 HydrophobicContact CD1-CD2 4.07Å; F80-L145 HydrophobicContact CD1-CG 4.31Å; F80-L145 HydrophobicContact CD2-CD1 4.11Å; F80-L145 HydrophobicContact CD2-CD2 4.26Å; F80-L145 HydrophobicContact CE1-CB 3.77Å; F80-L145 HydrophobicContact CE1-CD1 4.49Å; F80-L145 HydrophobicContact CE2-CD1 4.07Å; F80-L145 HydrophobicContact CG-CB 4.28Å; F80-L145 HydrophobicContact CG-CD1 4.33Å; F80-L145 HydrophobicContact CG-CD2 3.79Å; F80-L145 HydrophobicContact CG-CG 4.35Å; F80-L145 HydrophobicContact CZ-CB 4.31Å; F80-L145 HydrophobicContact CZ-CD1 4.28Å; F80-Q146 VanDerWaalsContact CD1-O 3.29Å; F80-Q146 WeakPolarHBondContact CD1-O 3.4Å; F80-Q146 WeakPolarHBondContact CE1-O 3.45Å
81V92.1Very high83Confident6 Ų658.7 Ų58.74%0.03633%0.331CS..EExtended strand (participates in β ladder)trans-143.1124.416864.40000110.7W58 K60 A68 L72 S95W58-V81 CarbonylContact O-C 3.5Å; W58-V81 VanDerWaalsContact O-CA 3.28Å; W58-V81 WeakPolarHBondContact O-CA 3.36Å; K60-V81 HydrophobicContact CB-CG2 3.89Å; K60-V81 HydrophobicContact CG-CG2 3.69Å; A68-V81 HydrophobicContact CB-CG1 3.58Å; L72-V81 HydrophobicContact CD1-CG1 4.08Å; L72-V81 HydrophobicContact CG-CG1 4.3Å; V81-S95 PolarHBondContact N-O 3.45Å; V81-S95 PolarHBondContact O-N 2.73Å
82I90.9Very high83Confident0 Ų055.7 Ų55.70%032%0.315CS..EExtended strand (participates in β ladder)trans-82.7126.4165-54.6-162000108.2W58 F59 K60 F80 F92 S93 I94 V129W58-I82 HydrophobicContact CE3-CB 4.33Å; W58-I82 HydrophobicContact CE3-CD1 4.09Å; W58-I82 HydrophobicContact CE3-CG1 4Å; W58-I82 HydrophobicContact CZ3-CD1 3.91Å; W58-I82 HydrophobicContact CZ3-CG1 4.28Å; W58-I82 PolarHBondContact O-N 3Å; F59-I82 HydrophobicContact CD2-CB 4.11Å; F59-I82 HydrophobicContact CD2-CG2 4.02Å; F59-I82 HydrophobicContact CE2-CG2 4.15Å; K60-I82 PolarHBondContact N-O 2.91Å; F80-I82 HydrophobicContact CD2-CG1 4.29Å; F80-I82 HydrophobicContact CE2-CG1 4.31Å; I82-F92 HydrophobicContact CG2-CB 4.13Å; I82-F92 HydrophobicContact CG2-CD1 4.41Å; I82-S93 WeakPolarHBondContact CA-O 3.43Å; I82-I94 HydrophobicContact CD1-CD1 3.73Å; I82-I94 HydrophobicContact CD1-CG1 3.88Å; I82-I94 HydrophobicContact CG1-CB 4.36Å; I82-I94 HydrophobicContact CG1-CD1 4.18Å; I82-I94 HydrophobicContact CG1-CG1 3.87Å; I82-I94 HydrophobicContact CG1-CG2 4.18Å; I82-V129 HydrophobicContact CD1-CG2 3.45Å; I82-V129 VanDerWaalsContact CD1-CG2 3.45Å; I82-V129 HydrophobicContact CG1-CG2 4.44Å
83R89.9Confident83Confident15 Ų1556 Ų566%0.05732%0.317CS..EExtended strand (participates in β ladder)trans-131.3166179.656.8162.8179.780.70.1112K60 A63 S64 F92 S93 S95K60-R83 VanDerWaalsContact O-CA 3.22Å; K60-R83 WeakPolarHBondContact O-CA 3.3Å; K60-R83 VanDerWaalsContact O-CB 3.27Å; K60-R83 WeakPolarHBondContact O-CB 3.43Å; A63-R83 HydrophobicContact CB-CB 4.12Å; A63-R83 WeakPolarHBondContact O-CB 3.43Å; A63-R83 WeakPolarHBondContact O-CD 3.46Å; S64-R83 WeakPolarHBondContact O-CD 3.22Å; R83-F92 CarbonylContact O-C 3.51Å; R83-F92 WeakPolarHBondContact O-CA 3.44Å; R83-S93 WeakPolarHBondContact CG-O 3.3Å; R83-S93 PolarHBondContact N-O 2.86Å; R83-S93 PolarHBondContact O-N 3.28Å; R83-S95 PolarHBondContact NE-OG 2.96Å
84G83.9Confident83.2Confident13 Ų1350.1 Ų50.113%0.13430%0.295CS..EExtended strand (participates in β ladder)trans-63.8156.816900000112.4E61E61-G84 VanDerWaalsContact O-CA 3.29Å; E61-G84 WeakPolarHBondContact O-CA 3.39Å; E61-G84 PolarHBondContact O-N 2.88Å
85C73.8Confident83.5Confident20 Ų2041.5 Ų41.514%0.13526%0.255CS..  trans-93.1100.2172.7-170.70000110.4S87 S88 D91C85-S87 PolarHBondContact O-N 2.68Å; C85-S88 CarbonylContact O-C 3.55Å; C85-S88 VanDerWaalsContact O-C 3.25Å; C85-S88 PolarHBondContact O-N 2.99Å; C85-D91 HydrophobicContact CB-CB 3.77Å; C85-D91 WeakPolarHBondContact CB-O 3.26Å; C85-D91 PolarHBondContact N-O 2.64Å
86Q70.3Confident83.7Confident134 Ų13436.9 Ų36.963%0.62624%0.235SC*.THydrogen-bonded Turntrans-56.5-19.9176.1-62.5-178.5-69.700113.9
87S69.4Low83.9Confident111 Ų11134 Ų3478%0.77622%0.215SC*.THydrogen-bonded Turntrans-99.40.1177.3-470000113.9C85C85-S87 PolarHBondContact O-N 2.68Å
88S68.3Low83.8Confident34 Ų3431.4 Ų31.424%0.23820%0.199CC..SBendtrans-157.988.5-178.3-48.20000109.9C85 G90 D91 K106C85-S88 CarbonylContact O-C 3.55Å; C85-S88 VanDerWaalsContact O-C 3.25Å; C85-S88 PolarHBondContact O-N 2.99Å; S88-G90 PolarHBondContact O-N 3.22Å; S88-D91 WeakPolarHBondContact CB-OD2 3.21Å; S88-D91 WeakPolarHBondContact O-CB 3.36Å; S88-D91 PolarHBondContact O-N 2.7Å; S88-K106 PolarHBondContact OG-NZ 2.9Å
89P64.1Low83.7Confident135 Ų13536.6 Ų36.688%0.87722%0.223SC*.THydrogen-bonded Turntrans-54.5128.1-179.3-26.735.5000112
90G67.1Low83.4Confident63 Ų6342.7 Ų42.765%0.64926%0.255SS*.THydrogen-bonded Turntrans89.9-8-176.200000116.1S88S88-G90 PolarHBondContact O-N 3.22Å
91D81.3Confident83.2Confident38 Ų3847.5 Ų47.520%0.20328%0.281CS..  trans-91153.6167-74.3-48.1000111.6C85 S88 K106C85-D91 HydrophobicContact CB-CB 3.77Å; C85-D91 WeakPolarHBondContact CB-O 3.26Å; C85-D91 PolarHBondContact N-O 2.64Å; S88-D91 WeakPolarHBondContact CB-OD2 3.21Å; S88-D91 WeakPolarHBondContact O-CB 3.36Å; S88-D91 PolarHBondContact O-N 2.7Å; D91-K106 WeakPolarHBondContact OD2-CE 3.26Å; D91-K106 IonicContact OD2-NZ 2.76Å; D91-K106 PolarHBondContact OD2-NZ 2.91Å
92F88.5Confident83.1Confident27 Ų2748.4 Ų48.412%0.11829%0.286CS..EExtended strand (participates in β ladder)trans-110.5165.2175.7-61.9-76.5000112.3F59 E61 I82 R83 V107 Y115 L125F59-F92 HydrophobicContact CE2-CD1 4.09Å; F59-F92 AromaticContact CE2-CE1 3.84Å; F59-F92 HydrophobicContact CE2-CE1 3.84Å; F59-F92 HydrophobicContact CZ-CD1 4.42Å; F59-F92 AromaticContact CZ-CE1 3.75Å; F59-F92 HydrophobicContact CZ-CE1 3.75Å; F59-F92 HydrophobicContact CZ-CZ 4.39Å; E61-F92 HydrophobicContact CG-CE1 4.28Å; E61-F92 VanDerWaalsContact OE2-CE1 3.26Å; E61-F92 WeakPolarHBondContact OE2-CE1 3.47Å; I82-F92 HydrophobicContact CG2-CB 4.13Å; I82-F92 HydrophobicContact CG2-CD1 4.41Å; R83-F92 CarbonylContact O-C 3.51Å; R83-F92 WeakPolarHBondContact O-CA 3.44Å; F92-V107 HydrophobicContact CB-CB 3.96Å; F92-V107 HydrophobicContact CB-CG2 3.93Å; F92-V107 PolarHBondContact O-N 3.37Å; F92-Y115 HydrophobicContact CD2-CE1 4.12Å; F92-Y115 HydrophobicContact CE2-CE1 4.14Å; F92-L125 HydrophobicContact CD1-CD1 4.48Å; F92-L125 HydrophobicContact CD2-CD1 4.03Å; F92-L125 HydrophobicContact CD2-CD2 4.47Å; F92-L125 HydrophobicContact CE2-CD1 4.13Å; F92-L125 HydrophobicContact CG-CD1 4.21Å; F92-L125 HydrophobicContact CZ-CD1 4.4Å
93S90.5Very high83.1Confident9 Ų950.4 Ų50.46%0.06330%0.296CS..EExtended strand (participates in β ladder)trans-146.1127.1173.7-69.30000111.3I82 R83 F105I82-S93 WeakPolarHBondContact CA-O 3.43Å; R83-S93 WeakPolarHBondContact CG-O 3.3Å; R83-S93 PolarHBondContact N-O 2.86Å; R83-S93 PolarHBondContact O-N 3.28Å; S93-F105 CarbonylContact C-O 3.57Å; S93-F105 WeakPolarHBondContact CA-O 3.46Å
94I92.1Very high83.1Confident0 Ų052.1 Ų52.10%031%0.305CS..EExtended strand (participates in β ladder)trans-86.7115.5174.6-44.8-164.2000108.1F80 I82 H104 F105 V107 L117 L128 I137 L145F80-I94 HydrophobicContact CB-CG2 4.43Å; F80-I94 HydrophobicContact CD2-CG2 4.13Å; I82-I94 HydrophobicContact CD1-CD1 3.73Å; I82-I94 HydrophobicContact CD1-CG1 3.88Å; I82-I94 HydrophobicContact CG1-CB 4.36Å; I82-I94 HydrophobicContact CG1-CD1 4.18Å; I82-I94 HydrophobicContact CG1-CG1 3.87Å; I82-I94 HydrophobicContact CG1-CG2 4.18Å; I94-H104 CarbonylContact O-C 3.59Å; I94-H104 WeakPolarHBondContact O-CA 3.2Å; I94-F105 PolarHBondContact N-O 2.85Å; I94-F105 PolarHBondContact O-N 2.92Å; I94-V107 HydrophobicContact CD1-CG2 4.13Å; I94-V107 HydrophobicContact CG1-CG2 3.6Å; I94-L117 HydrophobicContact CD1-CD1 4.12Å; I94-L117 HydrophobicContact CD1-CD2 4.25Å; I94-L128 HydrophobicContact CD1-CD2 3.46Å; I94-L128 VanDerWaalsContact CD1-CD2 3.46Å; I94-I137 HydrophobicContact CB-CD1 4.28Å; I94-I137 HydrophobicContact CD1-CD1 4.12Å; I94-I137 HydrophobicContact CG2-CD1 3.98Å; I94-L145 HydrophobicContact CG2-CD2 4.39Å
95S92.6Very high83.4Confident0 Ų052.7 Ų52.70%030%0.303CS..EExtended strand (participates in β ladder)trans-97.3128.7169.9-48.20000107.7L72 F80 V81 R83 Q103 H104L72-S95 WeakPolarHBondContact CD1-O 3.4Å; F80-S95 CarbonylContact C-O 3.57Å; F80-S95 VanDerWaalsContact CA-O 3.22Å; F80-S95 WeakPolarHBondContact CA-O 3.15Å; F80-S95 WeakPolarHBondContact CB-O 3.48Å; V81-S95 PolarHBondContact N-O 3.45Å; V81-S95 PolarHBondContact O-N 2.73Å; R83-S95 PolarHBondContact NE-OG 2.96Å; S95-Q103 CarbonylContact C-O 3.56Å; S95-Q103 WeakPolarHBondContact CA-O 3.44Å; S95-H104 WeakPolarHBondContact CB-ND1 3.3Å; S95-H104 PolarHBondContact OG-ND1 3.44Å
96V93.1Very high84Confident0 Ų055.5 Ų55.50%031%0.313CS..EExtended strand (participates in β ladder)trans-131.8136-178.761.90000110.7D79 F80 H98 V102 Q103 F105 I137 I143 L145D79-V96 WeakPolarHBondContact O-CA 3.13Å; F80-V96 HydrophobicContact CB-CB 4.06Å; F80-V96 HydrophobicContact CB-CG2 4.1Å; V96-H98 PolarHBondContact O-N 3.29Å; V96-V102 WeakPolarHBondContact O-CA 3.34Å; V96-Q103 HydrophobicContact CG1-CB 4.16Å; V96-Q103 PolarHBondContact N-O 2.84Å; V96-Q103 PolarHBondContact O-N 2.79Å; V96-F105 HydrophobicContact CG1-CD2 4.17Å; V96-F105 HydrophobicContact CG1-CE2 3.67Å; V96-I137 HydrophobicContact CG1-CG2 4.35Å; V96-I143 HydrophobicContact CG1-CG2 4.42Å; V96-I143 HydrophobicContact CG2-CG2 3.97Å; V96-L145 HydrophobicContact CB-CD2 4.31Å; V96-L145 HydrophobicContact CG2-CD2 3.99Å
97K92.1Very high85Confident25 Ų2549.2 Ų49.211%0.10928%0.284CS..EExtended strand (participates in β ladder)trans-68.6121.7175.4175.957.3179.8-177.20109.3L72 R73 K75 T76 V77 G78 D79L72-K97 HydrophobicContact CB-CB 4.24Å; L72-K97 WeakPolarHBondContact O-CD 3.29Å; R73-K97 PolarHBondContact O-NZ 3Å; K75-K97 WeakPolarHBondContact O-CE 3.41Å; T76-K97 VanDerWaalsContact O-CB 3.29Å; T76-K97 WeakPolarHBondContact O-CB 3.21Å; T76-K97 WeakPolarHBondContact O-CG 3.27Å; V77-K97 WeakPolarHBondContact CA-O 3.07Å; G78-K97 PolarHBondContact N-O 3.4Å; D79-K97 HydrophobicContact CB-CB 4.36Å; D79-K97 WeakPolarHBondContact O-CB 3.19Å; D79-K97 PolarHBondContact O-N 2.7Å
98H87.5Confident85.8Confident12 Ų1247.7 Ų47.76%0.05627%0.266CS..  trans-112.6176.1172.6-178.7-105.5000109.4V96 N100 D101 Q103 R141 I143V96-H98 PolarHBondContact O-N 3.29Å; H98-N100 PolarHBondContact O-N 2.89Å; H98-D101 CarbonylContact C-O 3.42Å; H98-D101 WeakPolarHBondContact CA-O 3.41Å; H98-D101 WeakPolarHBondContact CB-O 3.4Å; H98-D101 PolarHBondContact N-O 3.47Å; H98-D101 VanDerWaalsContact O-O 3.11Å; H98-Q103 HydrophobicContact CB-CG 4.05Å; H98-Q103 PolarHBondContact CD2-NE2 2.99Å; H98-Q103 PolarHBondContact ND1-NE2 3.01Å; H98-R141 PolarHBondContact CE1-NH1 3.15Å; H98-R141 WeakPolarHBondContact NE2-CD 3.48Å; H98-I143 WeakPolarHBondContact CD2-CD1 3.38Å
99E85.3Confident86.6Confident110 Ų11052.8 Ų52.851%0.51428%0.28SS..SBendtrans-43.6-62.4-170.2-62.9170.6105.900113.2R141E99-R141 IonicContact OE2-CZ 3.83Å; E99-R141 IonicContact OE2-NH1 2.64Å; E99-R141 PolarHBondContact OE2-NH1 2.92Å
100N85.1Confident87.6Confident139 Ų13947.8 Ų47.874%0.74325%0.245SC*.SBendtrans-103-29.1179.7-58.1-30.3000112.8H98H98-N100 PolarHBondContact O-N 2.89Å
101D88.4Confident88.4Confident107 Ų10753.3 Ų53.357%0.57226%0.26SS*.SBendtrans-126.6176.7-163.9-50.1-82.3000112.2H98H98-D101 CarbonylContact C-O 3.42Å; H98-D101 WeakPolarHBondContact CA-O 3.41Å; H98-D101 WeakPolarHBondContact CB-O 3.4Å; H98-D101 PolarHBondContact N-O 3.47Å; H98-D101 VanDerWaalsContact O-O 3.11Å
102V90.8Very high88.4Confident24 Ų2460 Ų6015%0.14529%0.288CS..EExtended strand (participates in β ladder)trans-107.7128.2167.9174.50000108.9E69 L72 V96E69-V102 HydrophobicContact CG-CB 4.2Å; E69-V102 HydrophobicContact CG-CG1 4.41Å; L72-V102 HydrophobicContact CB-CG2 3.75Å; L72-V102 HydrophobicContact CD1-CG1 3.76Å; L72-V102 HydrophobicContact CD1-CG2 4.31Å; V96-V102 WeakPolarHBondContact O-CA 3.34Å
103Q90.4Very high87.9Confident43 Ų4359.7 Ų59.720%0.20129%0.292CS..EExtended strand (participates in β ladder)trans-96.4140.5175.6-64.7-175.528.500109.7S95 V96 H98 F105S95-Q103 CarbonylContact C-O 3.56Å; S95-Q103 WeakPolarHBondContact CA-O 3.44Å; V96-Q103 HydrophobicContact CG1-CB 4.16Å; V96-Q103 PolarHBondContact N-O 2.84Å; V96-Q103 PolarHBondContact O-N 2.79Å; H98-Q103 HydrophobicContact CB-CG 4.05Å; H98-Q103 PolarHBondContact CD2-NE2 2.99Å; H98-Q103 PolarHBondContact ND1-NE2 3.01Å; Q103-F105 HydrophobicContact CB-CE2 3.81Å; Q103-F105 HydrophobicContact CB-CZ 4.13Å
104H90.7Very high87.6Confident51 Ų5161.9 Ų61.924%0.23630%0.301CS..EExtended strand (participates in β ladder)trans-117.1127177.1-50-77.5000111R65 E69 I94 S95R65-H104 PolarHBondContact NE-CD2 3.17Å; R65-H104 PolarHBondContact NE-NE2 3.21Å; R65-H104 VanDerWaalsContact NE-NE2 3.15Å; E69-H104 IonicContact OE1-CE1 3.22Å; E69-H104 IonicContact OE1-NE2 3.07Å; E69-H104 PolarHBondContact OE1-NE2 3.05Å; E69-H104 VanDerWaalsContact OE1-NE2 3.07Å; I94-H104 CarbonylContact O-C 3.59Å; I94-H104 WeakPolarHBondContact O-CA 3.2Å; S95-H104 WeakPolarHBondContact CB-ND1 3.3Å; S95-H104 PolarHBondContact OG-ND1 3.44Å
105F89.8Confident87.4Confident25 Ų2563.7 Ų63.711%0.1131%0.308CS..EExtended strand (participates in β ladder)trans-114.4118.2175.9-59-84.8000109S93 I94 V96 Q103 V107 L117 W118 I137S93-F105 CarbonylContact C-O 3.57Å; S93-F105 WeakPolarHBondContact CA-O 3.46Å; I94-F105 PolarHBondContact N-O 2.85Å; I94-F105 PolarHBondContact O-N 2.92Å; V96-F105 HydrophobicContact CG1-CD2 4.17Å; V96-F105 HydrophobicContact CG1-CE2 3.67Å; Q103-F105 HydrophobicContact CB-CE2 3.81Å; Q103-F105 HydrophobicContact CB-CZ 4.13Å; F105-V107 PolarHBondContact O-N 2.95Å; F105-L117 HydrophobicContact CB-CD2 3.55Å; F105-L117 HydrophobicContact CB-CG 4.18Å; F105-L117 HydrophobicContact CG-CD2 4.12Å; F105-W118 HydrophobicContact CD1-CZ2 4.11Å; F105-W118 HydrophobicContact CE1-CZ2 4.1Å; F105-I137 HydrophobicContact CD2-CD1 3.99Å; F105-I137 HydrophobicContact CD2-CG1 4.14Å; F105-I137 HydrophobicContact CD2-CG2 4.38Å; F105-I137 HydrophobicContact CE2-CG1 4.41Å; F105-I137 HydrophobicContact CE2-CG2 3.88Å; F105-I137 HydrophobicContact CG-CD1 4.42Å; F105-I137 HydrophobicContact CG-CG1 4.36Å; F105-I137 HydrophobicContact CZ-CG2 4.27Å
106K87.8Confident87.1Confident79 Ų7965.9 Ų65.934%0.34332%0.318SS..EExtended strand (participates in β ladder)trans-67.8128.3173.8-176.4169.3179.9172.90109.1S88 D91 M108S88-K106 PolarHBondContact OG-NZ 2.9Å; D91-K106 WeakPolarHBondContact OD2-CE 3.26Å; D91-K106 IonicContact OD2-NZ 2.76Å; D91-K106 PolarHBondContact OD2-NZ 2.91Å; K106-M108 HydrophobicContact CD-SD 3.9Å; K106-M108 HydrophobicContact CG-SD 4.07Å
107V89.6Confident86.9Confident2 Ų266.7 Ų66.71%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-83.7122168.3-169.30000106.9F92 I94 F105 Y115 L117 L125 L128F92-V107 HydrophobicContact CB-CB 3.96Å; F92-V107 HydrophobicContact CB-CG2 3.93Å; F92-V107 PolarHBondContact O-N 3.37Å; I94-V107 HydrophobicContact CD1-CG2 4.13Å; I94-V107 HydrophobicContact CG1-CG2 3.6Å; F105-V107 PolarHBondContact O-N 2.95Å; V107-Y115 HydrophobicContact CG1-CD1 4.01Å; V107-Y115 HydrophobicContact CG1-CG 4.49Å; V107-L117 HydrophobicContact CB-CD1 4.34Å; V107-L117 HydrophobicContact CG1-CD1 4.2Å; V107-L117 HydrophobicContact CG2-CD1 4.01Å; V107-L125 HydrophobicContact CG1-CD2 4Å; V107-L128 HydrophobicContact CG1-CD1 3.98Å
108M86.2Confident86.6Confident79 Ų7970.2 Ų70.239%0.38934%0.335SS..EExtended strand (participates in β ladder)trans-92.2151.4171.6-61.4-60.5-61.900109.6K106 Y115 F116K106-M108 HydrophobicContact CD-SD 3.9Å; K106-M108 HydrophobicContact CG-SD 4.07Å; M108-Y115 CarbonylContact O-C 3.5Å; M108-Y115 WeakPolarHBondContact O-CA 3.35Å; M108-F116 HydrophobicContact CB-CD1 4.04Å; M108-F116 HydrophobicContact CB-CD2 3.97Å; M108-F116 HydrophobicContact CB-CE1 3.64Å; M108-F116 HydrophobicContact CB-CE2 3.58Å; M108-F116 HydrophobicContact CB-CG 4.19Å; M108-F116 HydrophobicContact CB-CZ 3.4Å; M108-F116 VanDerWaalsContact CB-CZ 3.4Å; M108-F116 HydrophobicContact CG-CE2 4.16Å; M108-F116 HydrophobicContact CG-CZ 4.3Å; M108-F116 PolarHBondContact N-O 3.29Å; M108-F116 WeakPolarHBondContact O-CD1 3.43Å; M108-F116 PolarHBondContact O-N 3.03Å
109R84.8Confident86.5Confident140 Ų14074.3 Ų74.353%0.52837%0.365SS..EExtended strand (participates in β ladder)trans-123.1138.1173.4-164.7178.2-177.3-155.6-3.9109.6G113 Q114 Y115R109-G113 PolarHBondContact NE-O 3.25Å; R109-Q114 CarbonylContact C-O 3.53Å; R109-Q114 VanDerWaalsContact CA-O 3.3Å; R109-Q114 WeakPolarHBondContact CA-O 3.07Å; R109-Y115 HydrophobicContact CB-CD1 4.42Å; R109-Y115 HydrophobicContact CG-CD1 4.23Å; R109-Y115 HydrophobicContact CG-CE1 4.1Å
110D86.3Confident86.7Confident30 Ų3073.5 Ų73.516%0.1636%0.361CS..  trans-95.7173178.887-8.6000113.3K112 G113 Q114 F116 K121D110-K112 PolarHBondContact O-N 2.82Å; D110-K112 WeakPolarHBondContact OD1-CA 3.44Å; D110-K112 WeakPolarHBondContact OD1-CB 3.49Å; D110-K112 PolarHBondContact OD1-N 2.91Å; D110-G113 WeakPolarHBondContact O-CA 3.46Å; D110-G113 PolarHBondContact O-N 2.87Å; D110-G113 PolarHBondContact OD1-N 2.86Å; D110-Q114 PolarHBondContact N-O 2.82Å; D110-Q114 WeakPolarHBondContact OD1-CB 3.41Å; D110-Q114 PolarHBondContact OD1-N 2.9Å; D110-F116 HydrophobicContact CB-CE1 3.95Å; D110-K121 IonicContact OD2-NZ 3.89Å; D110-K121 PolarHBondContact OD2-NZ 2.79Å
111N83.7Confident86.9Confident179 Ų17971.7 Ų71.796%0.95735%0.347SS*.THydrogen-bonded Turntrans-65-8.2-178.8-57.417.5000113.9
112K80.3Confident86.8Confident180 Ų18067.7 Ų67.778%0.78332%0.324SS*.THydrogen-bonded Turntrans-100.26.6171.4-61.2-177.2177.7-175.50111.9D110 Q114D110-K112 PolarHBondContact O-N 2.82Å; D110-K112 WeakPolarHBondContact OD1-CA 3.44Å; D110-K112 WeakPolarHBondContact OD1-CB 3.49Å; D110-K112 PolarHBondContact OD1-N 2.91Å; K112-Q114 VanDerWaalsContact C-N 3.33Å; K112-Q114 HydrophobicContact CB-CG 4.24Å
113G79.1Confident86.4Confident20 Ų2071.2 Ų71.221%0.20635%0.346CS..SBendtrans79.56.2-178.900000114.9R109 D110R109-G113 PolarHBondContact NE-O 3.25Å; D110-G113 WeakPolarHBondContact O-CA 3.46Å; D110-G113 PolarHBondContact O-N 2.87Å; D110-G113 PolarHBondContact OD1-N 2.86Å
114Q83.6Confident86.1Confident55 Ų5570.7 Ų70.726%0.25735%0.347SS..  trans-78.6139.1-176.2-53.6-169.2-68.500111.5R109 D110 K112 K121 F122R109-Q114 CarbonylContact C-O 3.53Å; R109-Q114 VanDerWaalsContact CA-O 3.3Å; R109-Q114 WeakPolarHBondContact CA-O 3.07Å; D110-Q114 PolarHBondContact N-O 2.82Å; D110-Q114 WeakPolarHBondContact OD1-CB 3.41Å; D110-Q114 PolarHBondContact OD1-N 2.9Å; K112-Q114 VanDerWaalsContact C-N 3.33Å; K112-Q114 HydrophobicContact CB-CG 4.24Å; Q114-K121 HydrophobicContact CB-CB 4.46Å; Q114-F122 CarbonylContact C-O 3.47Å; Q114-F122 WeakPolarHBondContact CA-O 3.15Å
115Y87.4Confident85.7Confident38 Ų3869 Ų6915%0.14934%0.339CS..EExtended strand (participates in β ladder)trans-93.2142-178.8-59.1-82.9000111.6F92 V107 M108 R109 F122 L125F92-Y115 HydrophobicContact CD2-CE1 4.12Å; F92-Y115 HydrophobicContact CE2-CE1 4.14Å; V107-Y115 HydrophobicContact CG1-CD1 4.01Å; V107-Y115 HydrophobicContact CG1-CG 4.49Å; M108-Y115 CarbonylContact O-C 3.5Å; M108-Y115 WeakPolarHBondContact O-CA 3.35Å; R109-Y115 HydrophobicContact CB-CD1 4.42Å; R109-Y115 HydrophobicContact CG-CD1 4.23Å; R109-Y115 HydrophobicContact CG-CE1 4.1Å; Y115-F122 PolarHBondContact N-O 2.73Å; Y115-F122 WeakPolarHBondContact O-CD2 3.3Å; Y115-F122 PolarHBondContact O-N 2.94Å; Y115-L125 HydrophobicContact CD1-CD2 3.65Å; Y115-L125 HydrophobicContact CD1-CG 4.25Å; Y115-L125 HydrophobicContact CD2-CD2 4.42Å; Y115-L125 HydrophobicContact CD2-CG 4.46Å; Y115-L125 HydrophobicContact CE1-CD2 4.08Å; Y115-L125 HydrophobicContact CE1-CG 4.26Å; Y115-L125 HydrophobicContact CE2-CG 4.48Å; Y115-L125 HydrophobicContact CG-CD2 3.85Å; Y115-L125 HydrophobicContact CG-CG 4.35Å
116F88.2Confident85.5Confident46 Ų4669.3 Ų69.320%0.20234%0.342CS..EExtended strand (participates in β ladder)trans-155.9153.5177.961.7-77.2000112.7M108 D110 W118 E120 K121M108-F116 HydrophobicContact CB-CD1 4.04Å; M108-F116 HydrophobicContact CB-CD2 3.97Å; M108-F116 HydrophobicContact CB-CE1 3.64Å; M108-F116 HydrophobicContact CB-CE2 3.58Å; M108-F116 HydrophobicContact CB-CG 4.19Å; M108-F116 HydrophobicContact CB-CZ 3.4Å; M108-F116 VanDerWaalsContact CB-CZ 3.4Å; M108-F116 HydrophobicContact CG-CE2 4.16Å; M108-F116 HydrophobicContact CG-CZ 4.3Å; M108-F116 PolarHBondContact N-O 3.29Å; M108-F116 WeakPolarHBondContact O-CD1 3.43Å; M108-F116 PolarHBondContact O-N 3.03Å; D110-F116 HydrophobicContact CB-CE1 3.95Å; F116-W118 WeakPolarHBondContact CD2-O 3.27Å; F116-E120 WeakPolarHBondContact CB-O 3.2Å; F116-K121 HydrophobicContact CB-CG 4.18Å
117L87Confident85.4Confident17 Ų1770.9 Ų70.99%0.08935%0.349CS..SBendtrans-108.3-33.2167.5-84.464.7000111.7I94 F105 V107 L128 Y132 I137I94-L117 HydrophobicContact CD1-CD1 4.12Å; I94-L117 HydrophobicContact CD1-CD2 4.25Å; F105-L117 HydrophobicContact CB-CD2 3.55Å; F105-L117 HydrophobicContact CB-CG 4.18Å; F105-L117 HydrophobicContact CG-CD2 4.12Å; V107-L117 HydrophobicContact CB-CD1 4.34Å; V107-L117 HydrophobicContact CG1-CD1 4.2Å; V107-L117 HydrophobicContact CG2-CD1 4.01Å; L117-L128 HydrophobicContact CD1-CD1 3.77Å; L117-L128 HydrophobicContact CD1-CD2 3.81Å; L117-L128 HydrophobicContact CD1-CG 4.21Å; L117-Y132 HydrophobicContact CB-CE2 4.48Å; L117-Y132 HydrophobicContact CD1-CE2 4.36Å; L117-Y132 HydrophobicContact CD2-CE2 4.16Å; L117-I137 HydrophobicContact CD2-CD1 3.64Å; L117-I137 HydrophobicContact CD2-CG1 3.53Å
118W87Confident85.4Confident98 Ų9870.8 Ų70.837%0.37135%0.348SS..SBendtrans-135.5-128.6-172.5-57.3123000109.4F105 F116 I137 K139F105-W118 HydrophobicContact CD1-CZ2 4.11Å; F105-W118 HydrophobicContact CE1-CZ2 4.1Å; F116-W118 WeakPolarHBondContact CD2-O 3.27Å; W118-I137 PolarHBondContact NE1-O 2.89Å; W118-K139 HydrophobicContact CD2-CD 3.98Å; W118-K139 HydrophobicContact CD2-CG 4.4Å; W118-K139 HydrophobicContact CE3-CD 4.02Å; W118-K139 VanDerWaalsContact CE3-CE 3.49Å; W118-K139 HydrophobicContact CH2-CD 4.05Å; W118-K139 HydrophobicContact CZ2-CD 4.04Å; W118-K139 HydrophobicContact CZ2-CG 4.11Å; W118-K139 HydrophobicContact CZ3-CD 4.05Å
119S85.3Confident85.5Confident99 Ų9967 Ų6769%0.69233%0.33SS*.SBendtrans-75.2-33.5176-49.20000112.9
120E88.4Confident85.7Confident93 Ų9365.6 Ų65.644%0.43533%0.329SS..  trans-77.9133.1-171.1-53.8-47.911000112.3F116 F122 F131F116-E120 WeakPolarHBondContact CB-O 3.2Å; E120-F122 HydrophobicContact CB-CE2 3.68Å; E120-F122 HydrophobicContact CB-CZ 3.6Å; E120-F122 WeakPolarHBondContact O-CE2 3.42Å; E120-F131 HydrophobicContact CG-CE1 4.13Å; E120-F131 HydrophobicContact CG-CZ 3.91Å
121K89.8Confident85.9Confident101 Ų10167.1 Ų67.144%0.43934%0.335SS..EExtended strand (participates in β ladder)trans-115.9138-177.3-68.1-168.4173-171.30112.4D110 Q114 F116D110-K121 IonicContact OD2-NZ 3.89Å; D110-K121 PolarHBondContact OD2-NZ 2.79Å; Q114-K121 HydrophobicContact CB-CB 4.46Å; F116-K121 HydrophobicContact CB-CG 4.18Å
122F87.1Confident86.3Confident23 Ų2358.8 Ų58.810%0.10129%0.29CS..EExtended strand (participates in β ladder)trans-128.1144.6-173.8-54.7-82.5000111.5Q114 Y115 E120 S124 K127 L128 F131 Y132Q114-F122 CarbonylContact C-O 3.47Å; Q114-F122 WeakPolarHBondContact CA-O 3.15Å; Y115-F122 PolarHBondContact N-O 2.73Å; Y115-F122 WeakPolarHBondContact O-CD2 3.3Å; Y115-F122 PolarHBondContact O-N 2.94Å; E120-F122 HydrophobicContact CB-CE2 3.68Å; E120-F122 HydrophobicContact CB-CZ 3.6Å; E120-F122 WeakPolarHBondContact O-CE2 3.42Å; F122-S124 VanDerWaalsContact C-N 3.32Å; F122-K127 HydrophobicContact CB-CB 4.46Å; F122-K127 HydrophobicContact CD1-CB 4.35Å; F122-L128 HydrophobicContact CB-CB 3.81Å; F122-L128 HydrophobicContact CD1-CB 4.35Å; F122-L128 HydrophobicContact CD2-CB 3.61Å; F122-L128 HydrophobicContact CD2-CD1 3.78Å; F122-L128 HydrophobicContact CD2-CG 3.57Å; F122-L128 HydrophobicContact CE2-CB 4.31Å; F122-L128 HydrophobicContact CE2-CD1 4.47Å; F122-L128 HydrophobicContact CE2-CG 4Å; F122-L128 HydrophobicContact CG-CB 3.64Å; F122-L128 HydrophobicContact CG-CD1 4.49Å; F122-L128 HydrophobicContact CG-CG 4.16Å; F122-F131 HydrophobicContact CD1-CB 4.42Å; F122-F131 HydrophobicContact CE1-CB 3.46Å; F122-F131 VanDerWaalsContact CE1-CB 3.46Å; F122-F131 HydrophobicContact CE1-CD1 4.12Å; F122-F131 AromaticContact CE1-CD2 3.99Å; F122-F131 HydrophobicContact CE1-CD2 3.99Å; F122-F131 AromaticContact CE1-CG 3.59Å; F122-F131 HydrophobicContact CE1-CG 3.59Å; F122-F131 HydrophobicContact CE2-CD1 4.47Å; F122-F131 HydrophobicContact CZ-CB 3.72Å; F122-F131 AromaticContact CZ-CD1 3.51Å; F122-F131 HydrophobicContact CZ-CD1 3.51Å; F122-F131 HydrophobicContact CZ-CD2 4.09Å; F122-F131 HydrophobicContact CZ-CE1 4.11Å; F122-F131 AromaticContact CZ-CG 3.49Å; F122-F131 HydrophobicContact CZ-CG 3.49Å; F122-F131 VanDerWaalsContact CZ-CG 3.49Å; F122-Y132 HydrophobicContact CE2-CE2 4.28Å
123T82.3Confident86.7Confident98 Ų9853.6 Ų53.660%0.60127%0.267SS*.SBendtrans-82.9-6.3177.941.50000114
124S83.4Confident87.1Confident32 Ų3258.2 Ų58.222%0.22429%0.291CS..SBendtrans-153.8160.2171.664.50000111F122 N126 K127 L128F122-S124 VanDerWaalsContact C-N 3.32Å; S124-N126 PolarHBondContact O-N 3.13Å; S124-K127 PolarHBondContact O-N 2.81Å; S124-K127 PolarHBondContact OG-N 2.89Å; S124-L128 PolarHBondContact O-N 3.07Å
125L83.4Confident87.3Confident15 Ų1558.1 Ų58.18%0.07930%0.295CS..Hα-helixtrans-61.3-35.3170.1-66.9176.4000111.5F59 F92 V107 Y115 K127 L128 V129F59-L125 HydrophobicContact CD2-CD1 4.45Å; F59-L125 HydrophobicContact CE2-CD1 3.84Å; F92-L125 HydrophobicContact CD1-CD1 4.48Å; F92-L125 HydrophobicContact CD2-CD1 4.03Å; F92-L125 HydrophobicContact CD2-CD2 4.47Å; F92-L125 HydrophobicContact CE2-CD1 4.13Å; F92-L125 HydrophobicContact CG-CD1 4.21Å; F92-L125 HydrophobicContact CZ-CD1 4.4Å; V107-L125 HydrophobicContact CG1-CD2 4Å; Y115-L125 HydrophobicContact CD1-CD2 3.65Å; Y115-L125 HydrophobicContact CD1-CG 4.25Å; Y115-L125 HydrophobicContact CD2-CD2 4.42Å; Y115-L125 HydrophobicContact CD2-CG 4.46Å; Y115-L125 HydrophobicContact CE1-CD2 4.08Å; Y115-L125 HydrophobicContact CE1-CG 4.26Å; Y115-L125 HydrophobicContact CE2-CG 4.48Å; Y115-L125 HydrophobicContact CG-CD2 3.85Å; Y115-L125 HydrophobicContact CG-CG 4.35Å; L125-K127 PolarHBondContact O-N 3.21Å; L125-L128 WeakPolarHBondContact O-CB 3.48Å; L125-L128 PolarHBondContact O-N 2.65Å; L125-V129 WeakPolarHBondContact O-CB 3.5Å; L125-V129 WeakPolarHBondContact O-CG2 3.07Å; L125-V129 PolarHBondContact O-N 3.45Å
126N85.5Confident87.4Confident31 Ų3158 Ų5817%0.16630%0.299CS..Hα-helixtrans-58.4-49.7178-53.558.4000110.9E2 S124 L128 V129 E130E2-N126 PolarHBondContact OE2-ND2 2.88Å; S124-N126 PolarHBondContact O-N 3.13Å; N126-L128 VanDerWaalsContact C-N 3.35Å; N126-L128 PolarHBondContact O-N 2.98Å; N126-V129 WeakPolarHBondContact O-CB 3.48Å; N126-V129 PolarHBondContact O-N 3.21Å; N126-E130 WeakPolarHBondContact O-CG 3.38Å; N126-E130 PolarHBondContact O-N 2.77Å
127K85.8Confident87.4Confident112 Ų11255.8 Ų55.849%0.48729%0.29SS..Hα-helixtrans-66.4-34.2177.3-73.2-175174.7-1740113.7F122 S124 L125 F131F122-K127 HydrophobicContact CB-CB 4.46Å; F122-K127 HydrophobicContact CD1-CB 4.35Å; S124-K127 PolarHBondContact O-N 2.81Å; S124-K127 PolarHBondContact OG-N 2.89Å; L125-K127 PolarHBondContact O-N 3.21Å; K127-F131 WeakPolarHBondContact O-CB 3.41Å; K127-F131 PolarHBondContact O-N 2.85Å; K127-F131 VanDerWaalsContact O-N 3.07Å
128L89.3Confident87.3Confident0 Ų055.6 Ų55.60%029%0.29CS..Hα-helixtrans-63.7-44.8173.4-175.8158.1000110.5I94 V107 L117 F122 S124 L125 N126 Y132I94-L128 HydrophobicContact CD1-CD2 3.46Å; I94-L128 VanDerWaalsContact CD1-CD2 3.46Å; V107-L128 HydrophobicContact CG1-CD1 3.98Å; L117-L128 HydrophobicContact CD1-CD1 3.77Å; L117-L128 HydrophobicContact CD1-CD2 3.81Å; L117-L128 HydrophobicContact CD1-CG 4.21Å; F122-L128 HydrophobicContact CB-CB 3.81Å; F122-L128 HydrophobicContact CD1-CB 4.35Å; F122-L128 HydrophobicContact CD2-CB 3.61Å; F122-L128 HydrophobicContact CD2-CD1 3.78Å; F122-L128 HydrophobicContact CD2-CG 3.57Å; F122-L128 HydrophobicContact CE2-CB 4.31Å; F122-L128 HydrophobicContact CE2-CD1 4.47Å; F122-L128 HydrophobicContact CE2-CG 4Å; F122-L128 HydrophobicContact CG-CB 3.64Å; F122-L128 HydrophobicContact CG-CD1 4.49Å; F122-L128 HydrophobicContact CG-CG 4.16Å; S124-L128 PolarHBondContact O-N 3.07Å; L125-L128 WeakPolarHBondContact O-CB 3.48Å; L125-L128 PolarHBondContact O-N 2.65Å; N126-L128 VanDerWaalsContact C-N 3.35Å; N126-L128 PolarHBondContact O-N 2.98Å; L128-Y132 HydrophobicContact CD2-CD2 3.84Å; L128-Y132 HydrophobicContact CD2-CE2 4.04Å; L128-Y132 HydrophobicContact CG-CD2 4.28Å; L128-Y132 HydrophobicContact CG-CE2 4.14Å; L128-Y132 WeakPolarHBondContact O-CD2 3.42Å; L128-Y132 PolarHBondContact O-N 2.85Å
129V88.9Confident86.9Confident1 Ų157.6 Ų57.61%0.00630%0.301CS..Hα-helixtrans-62.7-52.4175.7164.40000110.6W58 F80 I82 L125 N126 F131 Y132 K133 L145W58-V129 HydrophobicContact CE3-CG2 4.29Å; W58-V129 HydrophobicContact CH2-CB 4.34Å; W58-V129 HydrophobicContact CH2-CG2 3.92Å; W58-V129 HydrophobicContact CZ2-CB 4.24Å; W58-V129 HydrophobicContact CZ2-CG1 3.97Å; W58-V129 HydrophobicContact CZ2-CG2 4.18Å; W58-V129 HydrophobicContact CZ3-CG2 3.97Å; F80-V129 HydrophobicContact CE1-CG1 4.49Å; F80-V129 HydrophobicContact CE2-CG1 3.88Å; F80-V129 HydrophobicContact CE2-CG2 3.87Å; F80-V129 HydrophobicContact CZ-CG1 3.48Å; F80-V129 VanDerWaalsContact CZ-CG1 3.48Å; F80-V129 HydrophobicContact CZ-CG2 4.34Å; I82-V129 HydrophobicContact CD1-CG2 3.45Å; I82-V129 VanDerWaalsContact CD1-CG2 3.45Å; I82-V129 HydrophobicContact CG1-CG2 4.44Å; L125-V129 WeakPolarHBondContact O-CB 3.5Å; L125-V129 WeakPolarHBondContact O-CG2 3.07Å; L125-V129 PolarHBondContact O-N 3.45Å; N126-V129 WeakPolarHBondContact O-CB 3.48Å; N126-V129 PolarHBondContact O-N 3.21Å; V129-F131 VanDerWaalsContact C-N 3.3Å; V129-F131 PolarHBondContact O-N 3.49Å; V129-Y132 CarbonylContact O-C 3.54Å; V129-Y132 PolarHBondContact O-N 3.43Å; V129-K133 WeakPolarHBondContact O-CG 3.3Å; V129-K133 PolarHBondContact O-N 2.94Å; V129-L145 HydrophobicContact CB-CD1 4.49Å; V129-L145 HydrophobicContact CG1-CD1 4.33Å; V129-L145 HydrophobicContact CG2-CD1 4.34Å
130E88.4Confident86.4Confident109 Ų10958.6 Ų58.651%0.50930%0.303SS..Hα-helixtrans-51.2-46.1177.1-72.7175.6141.300112.8N126 Y132 K133N126-E130 WeakPolarHBondContact O-CG 3.38Å; N126-E130 PolarHBondContact O-N 2.77Å; E130-Y132 VanDerWaalsContact C-N 3.34Å; E130-Y132 PolarHBondContact O-N 3.49Å; E130-K133 WeakPolarHBondContact O-CB 3.42Å; E130-K133 PolarHBondContact O-N 3.17Å
131F90.2Very high85.9Confident62 Ų6260.7 Ų60.727%0.27231%0.307SS..Hα-helixtrans-60-42.3176.6177.9-91.8000112.4E120 F122 K127 V129 K133 T134 T135E120-F131 HydrophobicContact CG-CE1 4.13Å; E120-F131 HydrophobicContact CG-CZ 3.91Å; F122-F131 HydrophobicContact CD1-CB 4.42Å; F122-F131 HydrophobicContact CE1-CB 3.46Å; F122-F131 VanDerWaalsContact CE1-CB 3.46Å; F122-F131 HydrophobicContact CE1-CD1 4.12Å; F122-F131 AromaticContact CE1-CD2 3.99Å; F122-F131 HydrophobicContact CE1-CD2 3.99Å; F122-F131 AromaticContact CE1-CG 3.59Å; F122-F131 HydrophobicContact CE1-CG 3.59Å; F122-F131 HydrophobicContact CE2-CD1 4.47Å; F122-F131 HydrophobicContact CZ-CB 3.72Å; F122-F131 AromaticContact CZ-CD1 3.51Å; F122-F131 HydrophobicContact CZ-CD1 3.51Å; F122-F131 HydrophobicContact CZ-CD2 4.09Å; F122-F131 HydrophobicContact CZ-CE1 4.11Å; F122-F131 AromaticContact CZ-CG 3.49Å; F122-F131 HydrophobicContact CZ-CG 3.49Å; F122-F131 VanDerWaalsContact CZ-CG 3.49Å; K127-F131 WeakPolarHBondContact O-CB 3.41Å; K127-F131 PolarHBondContact O-N 2.85Å; K127-F131 VanDerWaalsContact O-N 3.07Å; V129-F131 VanDerWaalsContact C-N 3.3Å; V129-F131 PolarHBondContact O-N 3.49Å; F131-K133 VanDerWaalsContact C-N 3.31Å; F131-K133 PolarHBondContact O-N 2.79Å; F131-T134 PolarHBondContact O-N 3.45Å; F131-T134 PolarHBondContact O-OG1 3.25Å; F131-T134 VanDerWaalsContact O-OG1 3.13Å; F131-T135 HydrophobicContact CE1-CG2 3.68Å; F131-T135 HydrophobicContact CZ-CG2 3.8Å; F131-T135 WeakPolarHBondContact O-CB 3.08Å; F131-T135 PolarHBondContact O-N 3.21Å; F131-T135 PolarHBondContact O-OG1 3.28Å; F131-T135 VanDerWaalsContact O-OG1 3.05Å
132Y91.2Very high85.6Confident4 Ų464.5 Ų64.52%0.01633%0.326CS..Hα-helixtrans-82.2-0.5178.1-67.6-58.4000114.5L117 F122 L128 V129 E130 T135 I137 C144 L145L117-Y132 HydrophobicContact CB-CE2 4.48Å; L117-Y132 HydrophobicContact CD1-CE2 4.36Å; L117-Y132 HydrophobicContact CD2-CE2 4.16Å; F122-Y132 HydrophobicContact CE2-CE2 4.28Å; L128-Y132 HydrophobicContact CD2-CD2 3.84Å; L128-Y132 HydrophobicContact CD2-CE2 4.04Å; L128-Y132 HydrophobicContact CG-CD2 4.28Å; L128-Y132 HydrophobicContact CG-CE2 4.14Å; L128-Y132 WeakPolarHBondContact O-CD2 3.42Å; L128-Y132 PolarHBondContact O-N 2.85Å; V129-Y132 CarbonylContact O-C 3.54Å; V129-Y132 PolarHBondContact O-N 3.43Å; E130-Y132 VanDerWaalsContact C-N 3.34Å; E130-Y132 PolarHBondContact O-N 3.49Å; Y132-T135 CarbonylContact C-O 3.56Å; Y132-T135 VanDerWaalsContact CA-O 3.3Å; Y132-T135 WeakPolarHBondContact CA-O 3.39Å; Y132-I137 HydrophobicContact CD1-CB 3.96Å; Y132-I137 HydrophobicContact CD1-CG1 4.15Å; Y132-I137 HydrophobicContact CD2-CD1 4.42Å; Y132-I137 HydrophobicContact CD2-CG1 4.22Å; Y132-I137 HydrophobicContact CE1-CG1 4.49Å; Y132-I137 HydrophobicContact CG-CB 4.1Å; Y132-I137 HydrophobicContact CG-CD1 4.43Å; Y132-I137 HydrophobicContact CG-CG1 4.03Å; Y132-C144 CarbonylContact O-C 3.41Å; Y132-C144 WeakPolarHBondContact O-CA 3.5Å; Y132-L145 PolarHBondContact O-N 2.78Å
133K89.5Confident85.5Confident72 Ų7263.6 Ų63.631%0.31332%0.322SS..Hα-helixtrans-73.2-33163.5-60.5179.9-166.3-164.40111.9V129 E130 F131 C144 L145 D147V129-K133 WeakPolarHBondContact O-CG 3.3Å; V129-K133 PolarHBondContact O-N 2.94Å; E130-K133 WeakPolarHBondContact O-CB 3.42Å; E130-K133 PolarHBondContact O-N 3.17Å; F131-K133 VanDerWaalsContact C-N 3.31Å; F131-K133 PolarHBondContact O-N 2.79Å; K133-C144 WeakPolarHBondContact O-CB 3.45Å; K133-L145 WeakPolarHBondContact CA-O 3.4Å; K133-L145 HydrophobicContact CG-CB 4.29Å; K133-D147 WeakPolarHBondContact CD-OD2 3.34Å; K133-D147 WeakPolarHBondContact CE-OD1 3.39Å; K133-D147 WeakPolarHBondContact CE-OD2 3.17Å; K133-D147 IonicContact NZ-OD1 3.62Å; K133-D147 PolarHBondContact NZ-OD1 3.02Å; K133-D147 IonicContact NZ-OD2 2.7Å; K133-D147 PolarHBondContact NZ-OD2 2.79Å
134T86.9Confident85.8Confident116 Ų11660.5 Ų60.571%0.71231%0.305SS*.Hα-helixtrans-100.8-27.3179.857.80000112.8F131F131-T134 PolarHBondContact O-N 3.45Å; F131-T134 PolarHBondContact O-OG1 3.25Å; F131-T134 VanDerWaalsContact O-OG1 3.13Å
135T88.6Confident86.1Confident53 Ų5359.2 Ų59.233%0.32530%0.295SS..SBendtrans-109.4144.2-177.6-47.70000111.1F131 Y132 I137F131-T135 HydrophobicContact CE1-CG2 3.68Å; F131-T135 HydrophobicContact CZ-CG2 3.8Å; F131-T135 WeakPolarHBondContact O-CB 3.08Å; F131-T135 PolarHBondContact O-N 3.21Å; F131-T135 PolarHBondContact O-OG1 3.28Å; F131-T135 VanDerWaalsContact O-OG1 3.05Å; Y132-T135 CarbonylContact C-O 3.56Å; Y132-T135 VanDerWaalsContact CA-O 3.3Å; Y132-T135 WeakPolarHBondContact CA-O 3.39Å; T135-I137 PolarHBondContact O-N 3.43Å
136S88.5Confident86.2Confident35 Ų3561.9 Ų61.925%0.24531%0.307CS..  trans-63.1128.3176.3-172.40000111.9S138 R141 I143S136-S138 VanDerWaalsContact C-N 3.34Å; S136-S138 PolarHBondContact OG-N 2.8Å; S136-S138 PolarHBondContact OG-O 2.62Å; S136-R141 PolarHBondContact OG-O 3.06Å; S136-I143 CarbonylContact C-O 3.58Å; S136-I143 VanDerWaalsContact CA-O 3.3Å; S136-I143 WeakPolarHBondContact CA-O 3.44Å; S136-I143 PolarHBondContact OG-N 2.78Å; S136-I143 PolarHBondContact OG-O 3.3Å
137I89.3Confident85.5Confident0 Ų064 Ų640%032%0.319CS..SBendtrans-73.6-27.6173.8-162.4169.3000112.1I94 V96 F105 L117 W118 Y132 T135 I143 L145I94-I137 HydrophobicContact CB-CD1 4.28Å; I94-I137 HydrophobicContact CD1-CD1 4.12Å; I94-I137 HydrophobicContact CG2-CD1 3.98Å; V96-I137 HydrophobicContact CG1-CG2 4.35Å; F105-I137 HydrophobicContact CD2-CD1 3.99Å; F105-I137 HydrophobicContact CD2-CG1 4.14Å; F105-I137 HydrophobicContact CD2-CG2 4.38Å; F105-I137 HydrophobicContact CE2-CG1 4.41Å; F105-I137 HydrophobicContact CE2-CG2 3.88Å; F105-I137 HydrophobicContact CG-CD1 4.42Å; F105-I137 HydrophobicContact CG-CG1 4.36Å; F105-I137 HydrophobicContact CZ-CG2 4.27Å; L117-I137 HydrophobicContact CD2-CD1 3.64Å; L117-I137 HydrophobicContact CD2-CG1 3.53Å; W118-I137 PolarHBondContact NE1-O 2.89Å; Y132-I137 HydrophobicContact CD1-CB 3.96Å; Y132-I137 HydrophobicContact CD1-CG1 4.15Å; Y132-I137 HydrophobicContact CD2-CD1 4.42Å; Y132-I137 HydrophobicContact CD2-CG1 4.22Å; Y132-I137 HydrophobicContact CE1-CG1 4.49Å; Y132-I137 HydrophobicContact CG-CB 4.1Å; Y132-I137 HydrophobicContact CG-CD1 4.43Å; Y132-I137 HydrophobicContact CG-CG1 4.03Å; T135-I137 PolarHBondContact O-N 3.43Å; I137-I143 HydrophobicContact CG2-CB 4.2Å; I137-I143 HydrophobicContact CG2-CG2 4.28Å; I137-I143 WeakPolarHBondContact CG2-O 3.21Å; I137-I143 PolarHBondContact N-O 3.43Å; I137-L145 HydrophobicContact CD1-CD1 4.35Å; I137-L145 HydrophobicContact CD1-CD2 3.91Å; I137-L145 HydrophobicContact CD1-CG 4.39Å; I137-L145 HydrophobicContact CG2-CD2 4.5Å
138S85.1Confident84.2Confident13 Ų1361 Ų619%0.09132%0.319CS..  trans-98.1141.8177.2-176.70000112.2S136 T140 R141S136-S138 VanDerWaalsContact C-N 3.34Å; S136-S138 PolarHBondContact OG-N 2.8Å; S136-S138 PolarHBondContact OG-O 2.62Å; S138-T140 PolarHBondContact OG-N 2.84Å; S138-T140 PolarHBondContact OG-OG1 2.86Å; S138-R141 WeakPolarHBondContact CB-O 3.43Å
139K78.6Confident82.1Confident141 Ų14166.5 Ų66.561%0.61336%0.356SS*.SBendtrans-81.1-15.5174.9-72.3176.1171.5169.60113.8W118W118-K139 HydrophobicContact CD2-CD 3.98Å; W118-K139 HydrophobicContact CD2-CG 4.4Å; W118-K139 HydrophobicContact CE3-CD 4.02Å; W118-K139 VanDerWaalsContact CE3-CE 3.49Å; W118-K139 HydrophobicContact CH2-CD 4.05Å; W118-K139 HydrophobicContact CZ2-CD 4.04Å; W118-K139 HydrophobicContact CZ2-CG 4.11Å; W118-K139 HydrophobicContact CZ3-CD 4.05Å
140T73.6Confident79.8Confident119 Ų11974 Ų7473%0.7339%0.391SS*.SBendtrans-112.8-16.6-172.456.50000113.9S138S138-T140 PolarHBondContact OG-N 2.84Å; S138-T140 PolarHBondContact OG-OG1 2.86Å
141R78.3Confident77.3Confident137 Ų13778.4 Ų78.452%0.51741%0.412SS..SBendtrans-143.6153.1176.5-62.6-173.6-172.4-135.90.4109.3H98 E99 S136 S138 I143H98-R141 PolarHBondContact CE1-NH1 3.15Å; H98-R141 WeakPolarHBondContact NE2-CD 3.48Å; E99-R141 IonicContact OE2-CZ 3.83Å; E99-R141 IonicContact OE2-NH1 2.64Å; E99-R141 PolarHBondContact OE2-NH1 2.92Å; S136-R141 PolarHBondContact OG-O 3.06Å; S138-R141 WeakPolarHBondContact CB-O 3.43Å; R141-I143 HydrophobicContact CB-CD1 4.27Å; R141-I143 HydrophobicContact CB-CG1 4.16Å; R141-I143 PolarHBondContact O-N 3.19Å
142Q82.9Confident74.9Confident181 Ų18179.2 Ų79.285%0.84644%0.438SS*.  trans-79.9105.9175.2-173.7173.23.600109.7
143I85.9Confident72.1Confident4 Ų490 Ų902%0.02148%0.478CS..  trans-136.9112.3-179.9-48.6171.6000107.8V96 H98 S136 I137 R141V96-I143 HydrophobicContact CG1-CG2 4.42Å; V96-I143 HydrophobicContact CG2-CG2 3.97Å; H98-I143 WeakPolarHBondContact CD2-CD1 3.38Å; S136-I143 CarbonylContact C-O 3.58Å; S136-I143 VanDerWaalsContact CA-O 3.3Å; S136-I143 WeakPolarHBondContact CA-O 3.44Å; S136-I143 PolarHBondContact OG-N 2.78Å; S136-I143 PolarHBondContact OG-O 3.3Å; I137-I143 HydrophobicContact CG2-CB 4.2Å; I137-I143 HydrophobicContact CG2-CG2 4.28Å; I137-I143 WeakPolarHBondContact CG2-O 3.21Å; I137-I143 PolarHBondContact N-O 3.43Å; R141-I143 HydrophobicContact CB-CD1 4.27Å; R141-I143 HydrophobicContact CB-CG1 4.16Å; R141-I143 PolarHBondContact O-N 3.19Å
144C88.9Confident69.4Low34 Ų3491.6 Ų91.623%0.2350%0.499CS..  trans-107.1148.7174.5-58.80000110.2G78 Y132 K133G78-C144 VanDerWaalsContact CA-O 3.23Å; G78-C144 WeakPolarHBondContact CA-O 3.07Å; Y132-C144 CarbonylContact O-C 3.41Å; Y132-C144 WeakPolarHBondContact O-CA 3.5Å; K133-C144 WeakPolarHBondContact O-CB 3.45Å
145L90Very high67.3Low4 Ų491.7 Ų91.72%0.02150%0.501CS..  trans-74.2141.9179.4-58.8-173.8000111.7G78 F80 I94 V96 V129 Y132 K133 I137G78-L145 CarbonylContact O-C 3.58Å; G78-L145 WeakPolarHBondContact O-CA 3.35Å; F80-L145 HydrophobicContact CB-CD2 3.83Å; F80-L145 HydrophobicContact CD1-CB 3.74Å; F80-L145 HydrophobicContact CD1-CD1 4.5Å; F80-L145 HydrophobicContact CD1-CD2 4.07Å; F80-L145 HydrophobicContact CD1-CG 4.31Å; F80-L145 HydrophobicContact CD2-CD1 4.11Å; F80-L145 HydrophobicContact CD2-CD2 4.26Å; F80-L145 HydrophobicContact CE1-CB 3.77Å; F80-L145 HydrophobicContact CE1-CD1 4.49Å; F80-L145 HydrophobicContact CE2-CD1 4.07Å; F80-L145 HydrophobicContact CG-CB 4.28Å; F80-L145 HydrophobicContact CG-CD1 4.33Å; F80-L145 HydrophobicContact CG-CD2 3.79Å; F80-L145 HydrophobicContact CG-CG 4.35Å; F80-L145 HydrophobicContact CZ-CB 4.31Å; F80-L145 HydrophobicContact CZ-CD1 4.28Å; I94-L145 HydrophobicContact CG2-CD2 4.39Å; V96-L145 HydrophobicContact CB-CD2 4.31Å; V96-L145 HydrophobicContact CG2-CD2 3.99Å; V129-L145 HydrophobicContact CB-CD1 4.49Å; V129-L145 HydrophobicContact CG1-CD1 4.33Å; V129-L145 HydrophobicContact CG2-CD1 4.34Å; Y132-L145 PolarHBondContact O-N 2.78Å; K133-L145 WeakPolarHBondContact CA-O 3.4Å; K133-L145 HydrophobicContact CG-CB 4.29Å; I137-L145 HydrophobicContact CD1-CD1 4.35Å; I137-L145 HydrophobicContact CD1-CD2 3.91Å; I137-L145 HydrophobicContact CD1-CG 4.39Å; I137-L145 HydrophobicContact CG2-CD2 4.5Å
146Q84.7Confident64.9Low71 Ų7195.4 Ų95.433%0.33253%0.526SS..BIsolated β-bridgetrans-133.5129.2179.1-60.7176.438.700110V77 G78 F80 G148V77-Q146 PolarHBondContact O-NE2 2.9Å; G78-Q146 PolarHBondContact O-N 2.9Å; F80-Q146 VanDerWaalsContact CD1-O 3.29Å; F80-Q146 WeakPolarHBondContact CD1-O 3.4Å; F80-Q146 WeakPolarHBondContact CE1-O 3.45Å; Q146-G148 PolarHBondContact O-N 3.19Å
147D71.3Confident62.3Low77 Ų7797.3 Ų97.341%0.41255%0.551SS.*  trans-75.824.4-179.1-50-102.7000113.7W58 K133 C149W58-D147 PolarHBondContact NE1-OD1 2.82Å; K133-D147 WeakPolarHBondContact CD-OD2 3.34Å; K133-D147 WeakPolarHBondContact CE-OD1 3.39Å; K133-D147 WeakPolarHBondContact CE-OD2 3.17Å; K133-D147 IonicContact NZ-OD1 3.62Å; K133-D147 PolarHBondContact NZ-OD1 3.02Å; K133-D147 IonicContact NZ-OD2 2.7Å; K133-D147 PolarHBondContact NZ-OD2 2.79Å; D147-C149 PolarHBondContact O-N 2.93Å
148G58.4Low59.9Low47 Ų47103.1 Ų103.149%0.48559%0.592SS.*SBendtrans66.3-8.6-173.300000115.9D79 Q146 Q150D79-G148 WeakPolarHBondContact OD1-CA 3.25Å; Q146-G148 PolarHBondContact O-N 3.19Å; G148-Q150 PolarHBondContact O-N 2.69Å; G148-Q150 VanDerWaalsContact O-N 3.14Å
149C44.8Very low57.5Low117 Ų117112 Ų11279%0.79163%0.632SS**  trans-89.963.5-175.1-162.80000112.8D147D147-C149 PolarHBondContact O-N 2.93Å
150Q40.2Very low55.4Low159 Ų159112.1 Ų112.174%0.74364%0.644SS**  trans-138.966.4162.9-76.1-155.213.400112.3G148G148-Q150 PolarHBondContact O-N 2.69Å; G148-Q150 VanDerWaalsContact O-N 3.14Å
151E37.2Very low53.5Low200 Ų200116.7 Ų116.794%0.93565%0.654SS**  trans-70135.2149.7-72.4-157.888.800109.9
152G38.6Very low51.2Low79 Ų79122.3 Ų122.381%0.81468%0.675SS**SBendtrans88.622.4149.300000120.1
153R32.7Very low48.6Very low231 Ų231116.8 Ų116.887%0.87267%0.667SS**  trans-118.366.7165.1-155.2171.8-166-101.40.2114.9
154S32.5Very low45.9Very low106 Ų106122.6 Ų122.674%0.74171%0.708SS**  trans-52.6128.4167.9-49.10000111.9
155P44.2Very low43.2Very low117 Ų117128.8 Ų128.876%0.7674%0.738SS**  trans-72.3137.1168.829.8-33000110.1G157P155-G157 PolarHBondContact O-N 2.93Å
156P36.6Very low40.9Very low132 Ų132133.5 Ų133.586%0.85777%0.769SS**  trans-75.3115.1-179.528.9-33.6000112.1
157G34Very low38.3Very low74 Ų74138.4 Ų138.476%0.76379%0.791SS**  trans58.196.5145.900000118.7P155 Q159P155-G157 PolarHBondContact O-N 2.93Å; G157-Q159 PolarHBondContact O-N 2.92Å
158S39.3Very low36.3Very low123 Ų123142 Ų14286%0.8681%0.805SS**  trans-59.9132.2164.2-51.40000112.4
159Q35.1Very low35Very low198 Ų198149.9 Ų149.993%0.92582%0.821SS**  trans-127108.1152.7-77.3-154.7-7.400111.2G157G157-Q159 PolarHBondContact O-N 2.92Å
160V34.5Very low34.4Very low144 Ų144150.1 Ų150.187%0.87381%0.814SS**  trans-83.8127.1165.4-840000109.9
161K33.6Very low33.9Very low216 Ų216148.1 Ų148.194%0.93982%0.818SS**  trans-138.8140.9154.2-117.5175.2-177.8176.90110.2
162R29.5Very low33.6Very low254 Ų254142.8 Ų142.896%0.95881%0.808SS**  trans-115.2128-164.4178.4-163.7-62.9172.1-1.2108.8
163G27.5Very low33.2Very low65 Ų65143.9 Ų143.967%0.6781%0.809SS**  trans159116.2166.900000117.3
164S30.1Very low33.1Very low127 Ų127137.1 Ų137.189%0.88880%0.803SS**  trans69.7112.2135-49.60000122.2
165L32Very low33.2Very low164 Ų164138.5 Ų138.586%0.85981%0.807SS**  trans-65.8168.6137-92.4119.2000110.2
166P43Very low32.5Very low103 Ų103137.6 Ų137.667%0.66981%0.809SS**  cis-149.3-170.738.545.6-25000118.5
167E30Very low32.2Very low173 Ų173136 Ų13681%0.80881%0.807SS**  trans68.1161.9159.4-69.2-16685.200119.9
168H29.1Very low32.2Very low152 Ų152136.9 Ų136.970%0.70481%0.807SS**  cis-167.2163.7-44.6-154.3-85.7000108.8
169R31.5Very low32.3Very low213 Ų213136.1 Ų136.180%0.80480%0.799SS**  trans75154.1169.4-45168.691.7-177.58.4116.3
170N30.3Very low32.1Very low123 Ų123137.4 Ų137.466%0.65880%0.795SS**  cis-165.6136.5-23.5-106.813.6000110.5
171S31.4Very low31.9Very low116 Ų116141.4 Ų141.481%0.81180%0.795SS**  trans60159.9147.3-47.30000119.9
172A29.9Very low31.6Very low88 Ų88135.3 Ų135.373%0.72778%0.779SS**  cis-145.5150.9-2.600000109.4
173A30.3Very low31.8Very low102 Ų102127 Ų12784%0.84376%0.76SS**  56.4135.494.900000115.9
174A31Very low31.9Very low90 Ų90131.2 Ų131.274%0.74476%0.762SS**  cis-150.8-143-7.800000108.3
175V34.1Very low31.9Very low135 Ų135133 Ų13382%0.81876%0.757SS**  cis-161.9151.18.1-130.60000110.1
176A30.3Very low31.6Very low97 Ų97131.2 Ų131.280%0.80275%0.753SS**  trans59.9158.5150.900000120.9
177A29Very low31Very low99 Ų99130.8 Ų130.882%0.81875%0.752SS**  cis-164.6157.8-28.300000110
178A33.9Very low31.1Very low92 Ų92127.7 Ų127.776%0.7675%0.75SS**  trans-93.5161.8166.700000110.9
179P43.1Very low31.2Very low108 Ų108129.5 Ų129.570%0.70176%0.759SS**  -158.8142.398.636.8-16000119.9
180R30.4Very low31.1Very low225 Ų225127.3 Ų127.385%0.84976%0.762SS**  trans63142130.1-58.8171.9-174.1-125.12.8124.2
181R30.7Very low31.2Very low227 Ų227125.8 Ų125.886%0.85777%0.766SS**  trans74.2153.6138.5-91.9-171167.5-179.1-5.4119.4
182S26.5Very low31.2Very low88 Ų88129.9 Ų129.962%0.61577%0.769SS**  cis-164.8165.8-11.4-156.30000111.9
183S33.8Very low31.3Very low79 Ų79136.6 Ų136.655%0.55278%0.776SS**  trans72.2122.9147.4-64.60000118.7
184E29.1Very low31.7Very low154 Ų154138.2 Ų138.272%0.7278%0.778SS**  80.5152.789-68.2166.189.600113.8
185Q30.5Very low31.5Very low165 Ų165136.8 Ų136.877%0.77177%0.772SS**  cis-155-168.512.5-136166.837.900112.6
186T26.8Very low31.3Very low126 Ų126139.3 Ų139.377%0.77377%0.772SS**  trans-89.5-176.4-169.855.10000114.1
187S30.4Very low31.5Very low94 Ų94141.3 Ų141.366%0.65777%0.765SS**  cis-165.5159.728.9-52.60000115.1
188S30.6Very low31.7Very low109 Ų109146 Ų14676%0.76277%0.77SS**  trans74.5168151.482.40000118.4
189Q31.8Very low31.6Very low190 Ų190151.1 Ų151.189%0.88877%0.77SS**  cis-149.7-173.127.3-137.6178.942.100114.6
190L30.3Very low31.2Very low167 Ų167149.9 Ų149.987%0.87477%0.768SS**  trans-144.2128-161.5179.6124.3000115.2
191A31.6Very low31.4Very low90 Ų90146.2 Ų146.274%0.74476%0.761SS**  trans-173.5161165.300000111.2
192K31.1Very low31.6Very low202 Ų202141 Ų14188%0.87875%0.754SS**  cis-167.5150.7-31-108.4175.1-179.81780107.4
193R33Very low32.3Very low230 Ų230144.6 Ų144.687%0.86876%0.764SS**  trans-88161164.5-59.7173.366.9-165.71.3109.1
194P38.7Very low32.1Very low135 Ų135143.7 Ų143.788%0.87777%0.768SS**  -126.6-168.857.71115.7000112.8
195G25.8Very low32.3Very low60 Ų60144.9 Ų144.962%0.61977%0.773SS**  cis146.9169-3.400000112.5
196F29Very low32.4Very low188 Ų188143.3 Ų143.383%0.82578%0.775SS**  trans68131.5-172.9-113.2-120000114.7
197E35.8Very low32.6Very low140 Ų140141 Ų14165%0.65478%0.776SS**  cis88.4116.224.2-163.2-176146.900114.4
198E32.8Very low32.8Very low198 Ų198148 Ų14893%0.92579%0.788SS**  trans-144.8163.4160.3-168.3159.590.200109.8
199R31Very low33Very low199 Ų199147.7 Ų147.775%0.75179%0.786SS**  trans-135.4146.4-150.3177.4173.5170.3142.8-5.6112
200A34.6Very low33.2Very low82 Ų82143.8 Ų143.868%0.67878%0.78SS**  trans-70.5164.7179.900000113.8
201H35.4Very low34.1Very low148 Ų148141.8 Ų141.869%0.68578%0.777SS**  trans-167.4112.9149.5-86.7-49.9000109.9
202T35.7Very low34.6Very low116 Ų116144.9 Ų144.971%0.71278%0.78SS**  58.1136.9103.256.50000116.3
203I40.7Very low34.7Very low164 Ų164141.2 Ų141.284%0.84178%0.779SS**  cis-163.4177.51333.7163.6000108.5
204G29.7Very low35Very low60 Ų60135.8 Ų135.862%0.61978%0.776SS**  cis163.4179.7-0.800000112.5
205H33.8Very low34.7Very low179 Ų179133.8 Ų133.883%0.82977%0.772SS**  trans70.8147.8174.2-61.9-81.8000118.5
206T32.6Very low35Very low133 Ų133136.9 Ų136.982%0.81678%0.782SS**  cis-155.6148.35-5.30000114.4
207G30.8Very low35.7Very low78 Ų78133.2 Ų133.280%0.80478%0.777SS**  trans91.5152.815400000118.2
208R34.5Very low35.9Very low239 Ų239132.6 Ų132.690%0.90279%0.785SS**  cis-161.4139.3-10.3-178.4176.5179.5-177.8-0.6110.8
209S33.3Very low36.1Very low103 Ų103134.2 Ų134.272%0.7278%0.783SS**  trans-0.1152.1158.7-53.20000121.3
210S37.9Very low37Very low108 Ų108135.7 Ų135.776%0.75579%0.788SS**  cis179.3-173.3-4-810000107
211P48.5Very low37.1Very low126 Ų126137.6 Ų137.682%0.81879%0.792SS**  cis-127.9-164.4-12.141.6-23.3000113.9
212I41.3Very low37.9Very low155 Ų155134.6 Ų134.680%0.79579%0.788SS**  trans-93.2147.8175.7-93.6168.3000112.7
213S33.6Very low38.4Very low124 Ų124137.8 Ų137.887%0.86780%0.795SS**  trans-167.1157.6138.8-84.60000113.5
214S39Very low38.5Very low116 Ų116136.5 Ų136.581%0.81180%0.795SS**  trans-88.2172.5-160.5-48.80000116.6
215A33.4Very low39.4Very low94 Ų94141.4 Ų141.478%0.77780%0.803SS**  trans78.495.2152.300000119.9
216C32.2Very low39.8Very low124 Ų124138.1 Ų138.184%0.83880%0.798SS**  -163.9145115.8-94.30000110.1
217P43.7Very low40.1Very low111 Ų111138.6 Ų138.672%0.72180%0.795SS**PPolyproline II helixtrans-73.4153168.132.3-34.1000110.7R219P217-R219 PolarHBondContact O-N 2.84Å
218P39Very low40.5Very low128 Ų128140.7 Ų140.783%0.83179%0.794SS**PPolyproline II helixtrans-60.7135.7169.426.8-33.4000109.9R220P218-R220 PolarHBondContact O-N 2.84Å
219R37.1Very low40.8Very low232 Ų232134.7 Ų134.788%0.87579%0.789SS**PPolyproline II helixtrans-58.7130-179.8-93.2176.6160.3-117.41.8110.9P217 T221P217-R219 PolarHBondContact O-N 2.84Å; R219-T221 PolarHBondContact O-N 2.83Å
220R49.7Very low41.6Very low229 Ų229139 Ų13986%0.86479%0.789SS**  trans-60.9100.3156.6177.7-174.2-67.7-117.3-0.6108.2P218 S222P218-R220 PolarHBondContact O-N 2.84Å; R220-S222 PolarHBondContact O-N 2.82Å
221T38.2Very low41.8Very low123 Ų123139.5 Ų139.576%0.75579%0.788SS**  trans-78.594.4163.648.40000108.3R219R219-T221 PolarHBondContact O-N 2.83Å
222S51.3Low42Very low85 Ų85137.4 Ų137.459%0.59479%0.789SS**  trans-57.4165.1150-56.20000109.5R220R220-S222 PolarHBondContact O-N 2.82Å
223E47.3Very low43Very low183 Ų183131 Ų13186%0.85576%0.761SS**  trans69.6102.3-174.5-48.8172.784.900111.3
224T41.8Very low45.4Very low137 Ų137128.3 Ų128.384%0.8474%0.739SS**  cis-126.6113.742.6-60.20000112.6
225M48.7Very low47.7Very low163 Ų163125.2 Ų125.280%0.80371%0.712SS**PPolyproline II helixtrans-92124.4158.6-89.5-177164.400109
226P41.6Very low50.4Low110 Ų110120.8 Ų120.871%0.71468%0.676SS**PPolyproline II helixtrans-57.3129133.1-7.124.7000106.8
227L39.2Very low53.3Low143 Ų143120.7 Ų120.775%0.74966%0.658SS**PPolyproline II helixtrans-55.8154.5170.5-66.7104.1000109.6S229L227-S229 WeakPolarHBondContact O-CA 3.35Å; L227-S229 PolarHBondContact O-N 3.19Å
228P39.2Very low55.5Low121 Ų121115.5 Ų115.579%0.78662%0.624SS**  trans-48.4114.7170.720.9-33.7000108.6R230P228-R230 PolarHBondContact O-N 2.93Å
229S41.6Very low57.8Low114 Ų114113.2 Ų113.280%0.79760%0.604SS**  trans-82.264.3-156.843.50000111.6L227 T231L227-S229 WeakPolarHBondContact O-CA 3.35Å; L227-S229 PolarHBondContact O-N 3.19Å; S229-T231 PolarHBondContact O-N 2.82Å
230R49Very low60.1Low192 Ų192108.5 Ų108.573%0.72559%0.587SS**  trans25.981.8172.9-68-18065.5-111.20.2111.6P228 G232P228-R230 PolarHBondContact O-N 2.93Å; R230-G232 PolarHBondContact O-N 3.2Å
231T43.7Very low61.9Low120 Ų120103.1 Ų103.174%0.73658%0.576SS**  trans-38.9140.7160.5-38.30000108.2S229 G233S229-T231 PolarHBondContact O-N 2.82Å; T231-G233 PolarHBondContact O-N 2.89Å
232G52.2Low64.2Low81 Ų8198.8 Ų98.884%0.83555%0.547SS*.  trans-66.671.7172.400000110R230R230-G232 PolarHBondContact O-N 3.2Å
233G62.5Low66Low21 Ų21100 Ų10022%0.21655%0.55CS.*  trans-61143.5-176.100000109T231 H235T231-G233 PolarHBondContact O-N 2.89Å; G233-H235 PolarHBondContact O-N 2.68Å; G233-H235 PolarHBondContact O-ND1 3.04Å
234V82.5Confident67.8Low67 Ų6793.2 Ų93.241%0.40653%0.526SS..  trans-64.8109166.6178.70000105.3V236 V260V234-V236 HydrophobicContact CG1-CG1 4.23Å; V234-V260 HydrophobicContact CB-CB 4.24Å; V234-V260 HydrophobicContact CG1-CG2 4.39Å; V234-V260 WeakPolarHBondContact O-CB 3.49Å; V234-V260 VanDerWaalsContact O-CG2 3.26Å; V234-V260 WeakPolarHBondContact O-CG2 3.34Å; V234-V260 PolarHBondContact O-N 3.31Å
235H88.5Confident69.3Low52 Ų5295.4 Ų95.424%0.24153%0.527CS..EExtended strand (participates in β ladder)trans-92.4141.2172.7-69.265.3000107.4G233 I257 I258 I288G233-H235 PolarHBondContact O-N 2.68Å; G233-H235 PolarHBondContact O-ND1 3.04Å; H235-I257 HydrophobicContact CB-CG2 3.94Å; H235-I258 WeakPolarHBondContact CA-O 3.44Å; H235-I288 HydrophobicContact CB-CD1 3.72Å; H235-I288 HydrophobicContact CB-CG1 3.99Å
236V90.2Very high70.5Confident1 Ų194.5 Ų94.51%0.00652%0.521CS..EExtended strand (participates in β ladder)trans-128.5142.2175.9-60.80000109.6V234 I257 I258 V260 W269 F280 T285 A286V234-V236 HydrophobicContact CG1-CG1 4.23Å; V236-I257 WeakPolarHBondContact O-CA 3.33Å; V236-I258 HydrophobicContact CG2-CB 4.01Å; V236-I258 PolarHBondContact N-O 2.83Å; V236-I258 PolarHBondContact O-N 3.37Å; V236-V260 HydrophobicContact CB-CG2 4.38Å; V236-V260 HydrophobicContact CG1-CG2 3.77Å; V236-V260 HydrophobicContact CG2-CG2 3.77Å; V236-W269 HydrophobicContact CG1-CZ3 4.16Å; V236-F280 HydrophobicContact CG2-CE2 4.1Å; V236-F280 HydrophobicContact CG2-CZ 3.91Å; V236-T285 HydrophobicContact CG2-CG2 3.93Å; V236-A286 CarbonylContact C-O 3.53Å; V236-A286 VanDerWaalsContact CA-O 3.3Å; V236-A286 WeakPolarHBondContact CA-O 3.42Å
237R91.9Very high72.1Confident122 Ų12297.7 Ų97.746%0.4653%0.531SS..EExtended strand (participates in β ladder)trans-94.1127.1173.7179173.658.6-159.1-8.4109.3L239 D256 I257 T285 A286 I288R237-L239 PolarHBondContact O-N 3Å; R237-D256 CarbonylContact C-O 3.4Å; R237-D256 WeakPolarHBondContact CA-O 3.45Å; R237-I257 HydrophobicContact CB-CD1 3.66Å; R237-I257 HydrophobicContact CG-CD1 3.83Å; R237-T285 CarbonylContact O-C 3.57Å; R237-T285 VanDerWaalsContact O-CA 3.31Å; R237-T285 WeakPolarHBondContact O-CA 3.22Å; R237-A286 PolarHBondContact N-O 3.44Å; R237-A286 PolarHBondContact O-N 3.36Å; R237-I288 HydrophobicContact CB-CG2 3.65Å
238A91.6Very high74.1Confident2 Ų296.2 Ų96.22%0.01753%0.525CS..EExtended strand (participates in β ladder)trans-58.2129.8169.300000111F252 C253 G255 D256A238-F252 HydrophobicContact CB-CD2 3.33Å; A238-F252 HydrophobicContact CB-CE2 3.63Å; A238-F252 HydrophobicContact CB-CG 4.32Å; A238-C253 VanDerWaalsContact CB-O 3.25Å; A238-C253 WeakPolarHBondContact CB-O 3.42Å; A238-G255 PolarHBondContact O-N 3.34Å; A238-D256 HydrophobicContact CB-CB 4.46Å; A238-D256 PolarHBondContact N-O 3.45Å
239L86.6Confident76.4Confident79 Ų7992 Ų9241%0.41449%0.494SS..SBendtrans-88-30.2174.8-64.3177.9000111.8R237 H284 A286R237-L239 PolarHBondContact O-N 3Å; L239-H284 PolarHBondContact N-O 2.77Å; L239-A286 HydrophobicContact CD1-CB 4.21Å; L239-A286 HydrophobicContact CD2-CB 3.84Å; L239-A286 HydrophobicContact CG-CB 4.13Å
240Y84.8Confident78.7Confident133 Ų13386.7 Ų86.752%0.52246%0.457SS..SBendtrans-132.9164.8-178.8-49.4-70.4000109.1F252 A254 H284Y240-F252 WeakPolarHBondContact O-CE2 3.29Å; Y240-A254 PolarHBondContact O-N 3.13Å; Y240-H284 HydrophobicContact CD2-CB 4.44Å; Y240-H284 AromaticContact CD2-CD2 3.89Å
241D87.3Confident80.5Confident116 Ų11679.1 Ų79.162%0.6244%0.438SS*.  trans-71.2152.5162.852.1-67000111.4F252D241-F252 WeakPolarHBondContact CA-O 3.29Å
242F87.8Confident82.8Confident33 Ų3373.9 Ų73.915%0.14541%0.405CS..BIsolated β-bridgetrans-145.7126.8176-179.8-103.3000108.4E249 L250 G251 F252 W268 P281F242-E249 HydrophobicContact CE1-CB 4.47Å; F242-E249 WeakPolarHBondContact CZ-OE1 3.43Å; F242-L250 WeakPolarHBondContact CD1-O 3.21Å; F242-G251 CarbonylContact O-C 3.53Å; F242-G251 VanDerWaalsContact O-CA 3.27Å; F242-G251 WeakPolarHBondContact O-CA 3.3Å; F242-F252 HydrophobicContact CB-CD1 4.07Å; F242-F252 HydrophobicContact CB-CD2 4.08Å; F242-F252 HydrophobicContact CB-CE1 3.52Å; F242-F252 HydrophobicContact CB-CE2 3.59Å; F242-F252 HydrophobicContact CB-CG 4.32Å; F242-F252 HydrophobicContact CB-CZ 3.29Å; F242-F252 HydrophobicContact CD1-CD1 4.24Å; F242-F252 AromaticContact CD1-CE1 3.63Å; F242-F252 HydrophobicContact CD1-CE1 3.63Å; F242-F252 HydrophobicContact CD1-CZ 4.17Å; F242-F252 AromaticContact CG-CE1 3.85Å; F242-F252 HydrophobicContact CG-CE1 3.85Å; F242-F252 AromaticContact CG-CZ 3.9Å; F242-F252 HydrophobicContact CG-CZ 3.9Å; F242-F252 PolarHBondContact N-O 3.37Å; F242-F252 PolarHBondContact O-N 2.8Å; F242-F252 VanDerWaalsContact O-O 3.13Å; F242-W268 HydrophobicContact CZ-CH2 4.14Å; F242-W268 HydrophobicContact CZ-CZ3 4.11Å; F242-P281 HydrophobicContact CD2-CG 3.92Å; F242-P281 HydrophobicContact CE2-CG 3.8Å; F242-P281 HydrophobicContact CG-CG 4.48Å; F242-P281 HydrophobicContact CZ-CG 4.26Å
243T87.3Confident84.7Confident109 Ų10973.3 Ų73.367%0.66939%0.388SS*.  trans-101.7127.4176-59.30000107.7E245T243-E245 PolarHBondContact O-N 3.26Å
244A86.2Confident86Confident42 Ų4275.1 Ų75.135%0.34740%0.401SS..  trans-66.3128171.600000109.8E249A244-E249 HydrophobicContact CB-CB 3.69Å
245E73.4Confident86.2Confident182 Ų18274 Ų7485%0.8540%0.402SS*.  trans-100.6-26.9174.1-58.9-166.878.300111.2T243 E249T243-E245 PolarHBondContact O-N 3.26Å; E245-E249 PolarHBondContact N-OE2 2.8Å
246E73.6Confident86.3Confident145 Ų14572.7 Ų72.768%0.67840%0.397SS*.SBendtrans-114.3152.3175.3-56.4-165.895.200113.3D248 E249E246-D248 PolarHBondContact O-N 2.76Å; E246-D248 VanDerWaalsContact O-N 3.15Å; E246-E249 HydrophobicContact CB-CG 4.23Å; E246-E249 PolarHBondContact N-OE2 3.08Å; E246-E249 WeakPolarHBondContact O-CB 3.15Å; E246-E249 PolarHBondContact O-N 2.91Å
247D75.4Confident86.4Confident176 Ų17676.1 Ų76.194%0.94142%0.415SS*.THydrogen-bonded Turntrans-61.7-21.6-177.5-74.3-85.6000114.8
248D80.3Confident86.3Confident113 Ų11370.3 Ų70.360%0.60439%0.393SS*.THydrogen-bonded Turntrans-87.6-3.4177.2-87.5-73000113.5E246 G278 L279E246-D248 PolarHBondContact O-N 2.76Å; E246-D248 VanDerWaalsContact O-N 3.15Å; D248-G278 CarbonylContact O-C 3.6Å; D248-G278 WeakPolarHBondContact O-CA 3.09Å; D248-L279 PolarHBondContact O-N 2.94Å
249E88.5Confident86.3Confident31 Ų3172.9 Ų72.915%0.14540%0.404CS..BIsolated β-bridgetrans-91.1161.8-178.3-66.5-175.1123.300114F242 A244 E245 E246 W268 L279F242-E249 HydrophobicContact CE1-CB 4.47Å; F242-E249 WeakPolarHBondContact CZ-OE1 3.43Å; A244-E249 HydrophobicContact CB-CB 3.69Å; E245-E249 PolarHBondContact N-OE2 2.8Å; E246-E249 HydrophobicContact CB-CG 4.23Å; E246-E249 PolarHBondContact N-OE2 3.08Å; E246-E249 WeakPolarHBondContact O-CB 3.15Å; E246-E249 PolarHBondContact O-N 2.91Å; E249-W268 HydrophobicContact CG-CZ3 4.41Å; E249-W268 WeakPolarHBondContact OE1-CH2 3.44Å; E249-W268 VanDerWaalsContact OE1-CZ3 3.3Å; E249-W268 WeakPolarHBondContact OE1-CZ3 3.37Å; E249-L279 CarbonylContact C-O 3.53Å; E249-L279 WeakPolarHBondContact CA-O 3.31Å
250L88.9Confident86.4Confident4 Ų469.8 Ų69.82%0.02139%0.389CS..  trans-116.9104.9178.6-173.767.6000110.7F242 F252 I258 L273 Q276 L279 F280F242-L250 WeakPolarHBondContact CD1-O 3.21Å; L250-F252 WeakPolarHBondContact O-CD1 2.97Å; L250-F252 WeakPolarHBondContact O-CE1 3.46Å; L250-I258 HydrophobicContact CD2-CG2 3.89Å; L250-L273 HydrophobicContact CD1-CB 4.16Å; L250-L273 HydrophobicContact CD2-CB 4.03Å; L250-L273 HydrophobicContact CG-CB 4.32Å; L250-Q276 HydrophobicContact CD1-CB 4.01Å; L250-L279 PolarHBondContact N-O 2.82Å; L250-F280 HydrophobicContact CD2-CD1 4.42Å
251G87.3Confident86.4Confident32 Ų3266.8 Ų66.833%0.3338%0.382SS..  trans-75.2144.9172.800000113.5F242F242-G251 CarbonylContact O-C 3.53Å; F242-G251 VanDerWaalsContact O-CA 3.27Å; F242-G251 WeakPolarHBondContact O-CA 3.3Å
252F92.7Very high86Confident10 Ų1064.4 Ų64.44%0.04437%0.369CS..BIsolated β-bridgetrans-156.5163.3-178.553.5-93.1000112.7A238 Y240 D241 F242 L250 D256 I258 L273 F280 H284A238-F252 HydrophobicContact CB-CD2 3.33Å; A238-F252 HydrophobicContact CB-CE2 3.63Å; A238-F252 HydrophobicContact CB-CG 4.32Å; Y240-F252 WeakPolarHBondContact O-CE2 3.29Å; D241-F252 WeakPolarHBondContact CA-O 3.29Å; F242-F252 HydrophobicContact CB-CD1 4.07Å; F242-F252 HydrophobicContact CB-CD2 4.08Å; F242-F252 HydrophobicContact CB-CE1 3.52Å; F242-F252 HydrophobicContact CB-CE2 3.59Å; F242-F252 HydrophobicContact CB-CG 4.32Å; F242-F252 HydrophobicContact CB-CZ 3.29Å; F242-F252 HydrophobicContact CD1-CD1 4.24Å; F242-F252 AromaticContact CD1-CE1 3.63Å; F242-F252 HydrophobicContact CD1-CE1 3.63Å; F242-F252 HydrophobicContact CD1-CZ 4.17Å; F242-F252 AromaticContact CG-CE1 3.85Å; F242-F252 HydrophobicContact CG-CE1 3.85Å; F242-F252 AromaticContact CG-CZ 3.9Å; F242-F252 HydrophobicContact CG-CZ 3.9Å; F242-F252 PolarHBondContact N-O 3.37Å; F242-F252 PolarHBondContact O-N 2.8Å; F242-F252 VanDerWaalsContact O-O 3.13Å; L250-F252 WeakPolarHBondContact O-CD1 2.97Å; L250-F252 WeakPolarHBondContact O-CE1 3.46Å; F252-D256 HydrophobicContact CB-CB 4.28Å; F252-I258 HydrophobicContact CB-CD1 4.23Å; F252-I258 HydrophobicContact CD1-CD1 3.61Å; F252-I258 HydrophobicContact CD2-CD1 4.22Å; F252-I258 HydrophobicContact CE1-CD1 3.98Å; F252-I258 HydrophobicContact CE2-CD1 4.49Å; F252-I258 HydrophobicContact CG-CD1 3.76Å; F252-I258 HydrophobicContact CZ-CD1 4.38Å; F252-L273 HydrophobicContact CB-CD2 3.42Å; F252-L273 VanDerWaalsContact CB-CD2 3.42Å; F252-F280 HydrophobicContact CD1-CB 4.49Å; F252-F280 HydrophobicContact CE1-CB 3.63Å; F252-F280 HydrophobicContact CE1-CD2 4.46Å; F252-F280 HydrophobicContact CE1-CG 4.27Å; F252-F280 HydrophobicContact CZ-CB 4.38Å; F252-H284 HydrophobicContact CE2-CB 4.46Å; F252-H284 HydrophobicContact CZ-CB 4.21Å
253C91.8Very high85.9Confident70 Ų7070.9 Ų70.947%0.47339%0.392SS..  trans-101.3153.7173.6-64.40000111.2A238 G255 D256A238-C253 VanDerWaalsContact CB-O 3.25Å; A238-C253 WeakPolarHBondContact CB-O 3.42Å; C253-G255 PolarHBondContact O-N 3.42Å; C253-D256 WeakPolarHBondContact CB-OD2 3.34Å; C253-D256 PolarHBondContact N-OD2 3.29Å; C253-D256 WeakPolarHBondContact O-CB 3.45Å; C253-D256 PolarHBondContact O-N 2.92Å
254A89.9Confident85.2Confident59 Ų5970.7 Ų70.749%0.48840%0.396SS..THydrogen-bonded Turntrans-52.1127.8169.700000110.9Y240Y240-A254 PolarHBondContact O-N 3.13Å
255G87.2Confident84.6Confident42 Ų4272.7 Ų72.743%0.43340%0.4SS..THydrogen-bonded Turntrans91.6-11-175.900000116.2A238 C253A238-G255 PolarHBondContact O-N 3.34Å; C253-G255 PolarHBondContact O-N 3.42Å
256D90.8Very high84.5Confident26 Ų2672.7 Ų72.714%0.13940%0.4CS..  trans-59.9146.4170.6-90.3-54.5000111.3R237 A238 F252 C253 L273 R274R237-D256 CarbonylContact C-O 3.4Å; R237-D256 WeakPolarHBondContact CA-O 3.45Å; A238-D256 HydrophobicContact CB-CB 4.46Å; A238-D256 PolarHBondContact N-O 3.45Å; F252-D256 HydrophobicContact CB-CB 4.28Å; C253-D256 WeakPolarHBondContact CB-OD2 3.34Å; C253-D256 PolarHBondContact N-OD2 3.29Å; C253-D256 WeakPolarHBondContact O-CB 3.45Å; C253-D256 PolarHBondContact O-N 2.92Å; D256-L273 HydrophobicContact CB-CD1 4.15Å; D256-L273 HydrophobicContact CB-CD2 3.93Å; D256-R274 IonicContact OD1-CZ 2.73Å; D256-R274 IonicContact OD1-NE 3.76Å; D256-R274 PolarHBondContact OD1-NE 2.88Å; D256-R274 IonicContact OD1-NH2 3.45Å; D256-R274 PolarHBondContact OD1-NH2 2.97Å; D256-R274 IonicContact OD2-CZ 2.85Å; D256-R274 IonicContact OD2-NH2 3.48Å; D256-R274 PolarHBondContact OD2-NH2 3.33Å
257I90.9Very high84.4Confident73 Ų7368 Ų6837%0.37439%0.386SS..EExtended strand (participates in β ladder)trans-104.2113.3175.6-50.9-56.3000109.1H235 V236 R237 L273 I288H235-I257 HydrophobicContact CB-CG2 3.94Å; V236-I257 WeakPolarHBondContact O-CA 3.33Å; R237-I257 HydrophobicContact CB-CD1 3.66Å; R237-I257 HydrophobicContact CG-CD1 3.83Å; I257-L273 WeakPolarHBondContact O-CD1 3.35Å; I257-I288 HydrophobicContact CD1-CD1 4.36Å; I257-I288 HydrophobicContact CG2-CD1 3.87Å
258I90.4Very high84.9Confident0 Ų064.2 Ų64.20%036%0.359CS..EExtended strand (participates in β ladder)trans-99.6132.4-177.3-52.5173000108.8H235 V236 L250 F252 L273 F280 T285H235-I258 WeakPolarHBondContact CA-O 3.44Å; V236-I258 HydrophobicContact CG2-CB 4.01Å; V236-I258 PolarHBondContact N-O 2.83Å; V236-I258 PolarHBondContact O-N 3.37Å; L250-I258 HydrophobicContact CD2-CG2 3.89Å; F252-I258 HydrophobicContact CB-CD1 4.23Å; F252-I258 HydrophobicContact CD1-CD1 3.61Å; F252-I258 HydrophobicContact CD2-CD1 4.22Å; F252-I258 HydrophobicContact CE1-CD1 3.98Å; F252-I258 HydrophobicContact CE2-CD1 4.49Å; F252-I258 HydrophobicContact CG-CD1 3.76Å; F252-I258 HydrophobicContact CZ-CD1 4.38Å; I258-L273 HydrophobicContact CG1-CD2 4.44Å; I258-F280 HydrophobicContact CD1-CD2 4.49Å; I258-F280 HydrophobicContact CG2-CD1 4.35Å; I258-F280 HydrophobicContact CG2-CE1 3.89Å; I258-F280 HydrophobicContact CG2-CZ 4.3Å; I258-T285 HydrophobicContact CD1-CG2 4.25Å
259E91.3Very high85.3Confident55 Ų5561.9 Ų61.926%0.25734%0.342SS..EExtended strand (participates in β ladder)trans-80.3116.4168.9173.7-175.5-114.500108.4L261 G271 R272E259-L261 HydrophobicContact CG-CD2 4.02Å; E259-L261 PolarHBondContact O-N 2.73Å; E259-L261 WeakPolarHBondContact OE2-CD2 3.5Å; E259-G271 CarbonylContact O-C 3.58Å; E259-G271 VanDerWaalsContact O-CA 3.3Å; E259-G271 WeakPolarHBondContact O-CA 3.43Å; E259-R272 HydrophobicContact CB-CB 4.22Å; E259-R272 PolarHBondContact N-O 2.86Å; E259-R272 PolarHBondContact O-N 3.1Å; E259-R272 WeakPolarHBondContact OE2-CD 3.43Å; E259-R272 IonicContact OE2-CZ 2.79Å; E259-R272 IonicContact OE2-NE 3.86Å; E259-R272 PolarHBondContact OE2-NE 2.76Å; E259-R272 IonicContact OE2-NH2 2.68Å
260V89.9Confident85.2Confident15 Ų1565.7 Ų65.79%0.09136%0.355CS..EExtended strand (participates in β ladder)trans-79.5121.7175.8-174.30000109.6V234 V236 D262 R263 W269 F280V234-V260 HydrophobicContact CB-CB 4.24Å; V234-V260 HydrophobicContact CG1-CG2 4.39Å; V234-V260 WeakPolarHBondContact O-CB 3.49Å; V234-V260 VanDerWaalsContact O-CG2 3.26Å; V234-V260 WeakPolarHBondContact O-CG2 3.34Å; V234-V260 PolarHBondContact O-N 3.31Å; V236-V260 HydrophobicContact CB-CG2 4.38Å; V236-V260 HydrophobicContact CG1-CG2 3.77Å; V236-V260 HydrophobicContact CG2-CG2 3.77Å; V260-D262 WeakPolarHBondContact CG1-O 3.48Å; V260-R263 HydrophobicContact CG1-CB 4.24Å; V260-W269 HydrophobicContact CG1-CB 4.4Å; V260-W269 HydrophobicContact CG2-CE3 4.41Å; V260-F280 HydrophobicContact CG2-CZ 4.07Å
261L84.3Confident85.3Confident70 Ų7065.5 Ų65.537%0.36635%0.354SS..EExtended strand (participates in β ladder)trans-94.3-42.8178.1-54.7-178000111.7E259 R270 R272E259-L261 HydrophobicContact CG-CD2 4.02Å; E259-L261 PolarHBondContact O-N 2.73Å; E259-L261 WeakPolarHBondContact OE2-CD2 3.5Å; L261-R270 WeakPolarHBondContact CA-O 3.43Å; L261-R270 WeakPolarHBondContact CB-O 3.32Å; L261-R270 PolarHBondContact N-O 2.63Å; L261-R272 HydrophobicContact CD1-CB 4.13Å; L261-R272 HydrophobicContact CD2-CB 4.26Å; L261-R272 HydrophobicContact CG-CB 4.26Å
262D79.4Confident85.5Confident66 Ų6668.9 Ų68.935%0.35336%0.356SS..EExtended strand (participates in β ladder)trans-137.9148.2173.4179.3-105000111.4V260 S264 R270V260-D262 WeakPolarHBondContact CG1-O 3.48Å; D262-S264 VanDerWaalsContact OD1-CB 3.3Å; D262-S264 WeakPolarHBondContact OD1-CB 3.37Å; D262-S264 PolarHBondContact OD1-N 2.89Å; D262-S264 PolarHBondContact OD1-OG 2.93Å; D262-S264 WeakPolarHBondContact OD2-CB 3.47Å; D262-S264 PolarHBondContact OD2-N 2.86Å; D262-S264 PolarHBondContact OD2-OG 2.88Å; D262-R270 HydrophobicContact CB-CB 3.97Å; D262-R270 PolarHBondContact N-O 2.69Å; D262-R270 PolarHBondContact O-N 2.85Å
263R83.8Confident85.3Confident169 Ų16969 Ų6964%0.63836%0.358SS*.  trans-140.131.1178.260.4166.6-170.3-179.63.2111.8V260 D265 W269V260-R263 HydrophobicContact CG1-CB 4.24Å; R263-D265 VanDerWaalsContact C-N 3.32Å; R263-W269 HydrophobicContact CB-CD2 4.22Å; R263-W269 HydrophobicContact CB-CG 4.11Å
264S72.5Confident84.9Confident105 Ų10574.7 Ų74.773%0.73437%0.369SS*.  trans-74.3-25.2-175-65.70000112.4D262D262-S264 VanDerWaalsContact OD1-CB 3.3Å; D262-S264 WeakPolarHBondContact OD1-CB 3.37Å; D262-S264 PolarHBondContact OD1-N 2.89Å; D262-S264 PolarHBondContact OD1-OG 2.93Å; D262-S264 WeakPolarHBondContact OD2-CB 3.47Å; D262-S264 PolarHBondContact OD2-N 2.86Å; D262-S264 PolarHBondContact OD2-OG 2.88Å
265D74.6Confident84.4Confident83 Ų8375 Ų7544%0.44438%0.378SS..SBendtrans-94.3156.9167.5-176.4-99.6000112.2R263 A267 W268 W269R263-D265 VanDerWaalsContact C-N 3.32Å; D265-A267 WeakPolarHBondContact OD1-CA 3.43Å; D265-A267 PolarHBondContact OD1-N 3.04Å; D265-W268 PolarHBondContact OD1-N 3.12Å; D265-W269 VanDerWaalsContact O-CD1 3.24Å; D265-W269 PolarHBondContact O-NE1 2.97Å
266Q70.5Confident83.9Confident182 Ų18279.7 Ų79.785%0.8539%0.388SS*.SBendtrans-92.7-19.9-175.8-62.8-1753.700114
267A71.3Confident83.7Confident46 Ų4681 Ų8138%0.3840%0.4SS..SBendtrans-102.8-38.9179.700000112D265 P281 A282D265-A267 WeakPolarHBondContact OD1-CA 3.43Å; D265-A267 PolarHBondContact OD1-N 3.04Å; A267-P281 CarbonylContact O-C 3.56Å; A267-P281 WeakPolarHBondContact O-CA 3.38Å; A267-A282 PolarHBondContact O-N 2.76Å
268W86.2Confident83.6Confident98 Ų9877.6 Ų77.637%0.37138%0.383SS..EExtended strand (participates in β ladder)trans-121.2125.9-175.5-67.789.4000112.2F242 E249 D265 L279 F280F242-W268 HydrophobicContact CZ-CH2 4.14Å; F242-W268 HydrophobicContact CZ-CZ3 4.11Å; E249-W268 HydrophobicContact CG-CZ3 4.41Å; E249-W268 WeakPolarHBondContact OE1-CH2 3.44Å; E249-W268 VanDerWaalsContact OE1-CZ3 3.3Å; E249-W268 WeakPolarHBondContact OE1-CZ3 3.37Å; D265-W268 PolarHBondContact OD1-N 3.12Å; W268-L279 HydrophobicContact CE3-CB 3.93Å; W268-F280 WeakPolarHBondContact CA-O 3.45Å; W268-F280 VanDerWaalsContact CE3-C 3.45Å
269W89.1Confident83.4Confident64 Ų6480.8 Ų80.824%0.24240%0.399CS..EExtended strand (participates in β ladder)trans-110.6147.2176.3-68.9-10.9000110.4V236 V260 R263 D265 L279 F280 A282V236-W269 HydrophobicContact CG1-CZ3 4.16Å; V260-W269 HydrophobicContact CG1-CB 4.4Å; V260-W269 HydrophobicContact CG2-CE3 4.41Å; R263-W269 HydrophobicContact CB-CD2 4.22Å; R263-W269 HydrophobicContact CB-CG 4.11Å; D265-W269 VanDerWaalsContact O-CD1 3.24Å; D265-W269 PolarHBondContact O-NE1 2.97Å; W269-L279 CarbonylContact O-C 3.58Å; W269-L279 WeakPolarHBondContact O-CA 3.5Å; W269-F280 HydrophobicContact CB-CD1 4.41Å; W269-F280 HydrophobicContact CB-CE1 3.78Å; W269-F280 HydrophobicContact CB-CE2 4.08Å; W269-F280 HydrophobicContact CB-CZ 3.6Å; W269-F280 HydrophobicContact CE3-CE2 4.08Å; W269-F280 HydrophobicContact CE3-CZ 4.02Å; W269-F280 PolarHBondContact N-O 2.8Å; W269-F280 WeakPolarHBondContact O-CD1 3.31Å; W269-F280 WeakPolarHBondContact O-CE1 3.15Å; W269-F280 PolarHBondContact O-N 3Å; W269-A282 HydrophobicContact CD2-CB 3.53Å; W269-A282 HydrophobicContact CE3-CB 3.84Å; W269-A282 HydrophobicContact CG-CB 3.97Å; W269-A282 HydrophobicContact CH2-CB 4.13Å; W269-A282 HydrophobicContact CZ2-CB 3.84Å; W269-A282 HydrophobicContact CZ3-CB 4.12Å
270R86.8Confident83.3Confident111 Ų11178.2 Ų78.242%0.41939%0.387SS..EExtended strand (participates in β ladder)trans-89.5118.3174.8-163.1176.6-171.113113.2109.1L261 D262 G278 L279L261-R270 WeakPolarHBondContact CA-O 3.43Å; L261-R270 WeakPolarHBondContact CB-O 3.32Å; L261-R270 PolarHBondContact N-O 2.63Å; D262-R270 HydrophobicContact CB-CB 3.97Å; D262-R270 PolarHBondContact N-O 2.69Å; D262-R270 PolarHBondContact O-N 2.85Å; R270-G278 WeakPolarHBondContact CA-O 3.39Å; R270-L279 HydrophobicContact CB-CD2 4.11Å; R270-L279 HydrophobicContact CG-CD2 4.33Å
271G90.8Very high83.1Confident0 Ų078.3 Ų78.30%039%0.388CS..EExtended strand (participates in β ladder)trans-109.5170.6-177.500000114E259 S277 G278E259-G271 CarbonylContact O-C 3.58Å; E259-G271 VanDerWaalsContact O-CA 3.3Å; E259-G271 WeakPolarHBondContact O-CA 3.43Å; G271-S277 WeakPolarHBondContact O-CA 3.48Å; G271-S277 WeakPolarHBondContact O-CB 3.33Å; G271-G278 PolarHBondContact N-O 2.7Å; G271-G278 PolarHBondContact O-N 2.92Å
272R90.7Very high83.1Confident103 Ų10375.2 Ų75.239%0.38937%0.373SS..EExtended strand (participates in β ladder)trans-128.9130.1159.8-158.2-169-48.6-80.3-0.1109.6E259 L261 Q276E259-R272 HydrophobicContact CB-CB 4.22Å; E259-R272 PolarHBondContact N-O 2.86Å; E259-R272 PolarHBondContact O-N 3.1Å; E259-R272 WeakPolarHBondContact OE2-CD 3.43Å; E259-R272 IonicContact OE2-CZ 2.79Å; E259-R272 IonicContact OE2-NE 3.86Å; E259-R272 PolarHBondContact OE2-NE 2.76Å; E259-R272 IonicContact OE2-NH2 2.68Å; L261-R272 HydrophobicContact CD1-CB 4.13Å; L261-R272 HydrophobicContact CD2-CB 4.26Å; L261-R272 HydrophobicContact CG-CB 4.26Å; R272-Q276 CarbonylContact C-O 3.57Å; R272-Q276 VanDerWaalsContact CA-O 3.27Å; R272-Q276 WeakPolarHBondContact CA-O 3.18Å; R272-Q276 WeakPolarHBondContact CG-O 3.4Å
273L89.3Confident83.4Confident13 Ų1378.6 Ų78.67%0.06839%0.391CS..EExtended strand (participates in β ladder)trans-140.4131.7173.3-179.963.6000109.1L250 F252 D256 I257 I258 G275 Q276L250-L273 HydrophobicContact CD1-CB 4.16Å; L250-L273 HydrophobicContact CD2-CB 4.03Å; L250-L273 HydrophobicContact CG-CB 4.32Å; F252-L273 HydrophobicContact CB-CD2 3.42Å; F252-L273 VanDerWaalsContact CB-CD2 3.42Å; D256-L273 HydrophobicContact CB-CD1 4.15Å; D256-L273 HydrophobicContact CB-CD2 3.93Å; I257-L273 WeakPolarHBondContact O-CD1 3.35Å; I258-L273 HydrophobicContact CG1-CD2 4.44Å; L273-G275 PolarHBondContact O-N 2.76Å; L273-Q276 PolarHBondContact N-O 2.68Å; L273-Q276 PolarHBondContact O-N 2.94Å
274R83.4Confident83.4Confident188 Ų18873.8 Ų73.871%0.70938%0.375SS*.THydrogen-bonded Turntrans52.821.8175.2-61.1164.7-170-170.64.5115.2D256D256-R274 IonicContact OD1-CZ 2.73Å; D256-R274 IonicContact OD1-NE 3.76Å; D256-R274 PolarHBondContact OD1-NE 2.88Å; D256-R274 IonicContact OD1-NH2 3.45Å; D256-R274 PolarHBondContact OD1-NH2 2.97Å; D256-R274 IonicContact OD2-CZ 2.85Å; D256-R274 IonicContact OD2-NH2 3.48Å; D256-R274 PolarHBondContact OD2-NH2 3.33Å
275G78.4Confident84.2Confident65 Ų6569.4 Ų69.467%0.6734%0.344SS*.THydrogen-bonded Turntrans97.1-16.8-178.400000114.7L273L273-G275 PolarHBondContact O-N 2.76Å
276Q78Confident84.7Confident141 Ų14166.6 Ų66.666%0.65933%0.332SS*.EExtended strand (participates in β ladder)trans-81.6157.7168.9-66.1173.9-67.500110.5L250 R272 L273L250-Q276 HydrophobicContact CD1-CB 4.01Å; R272-Q276 CarbonylContact C-O 3.57Å; R272-Q276 VanDerWaalsContact CA-O 3.27Å; R272-Q276 WeakPolarHBondContact CA-O 3.18Å; R272-Q276 WeakPolarHBondContact CG-O 3.4Å; L273-Q276 PolarHBondContact N-O 2.68Å; L273-Q276 PolarHBondContact O-N 2.94Å
277S85.9Confident85.4Confident55 Ų5563 Ų6339%0.38533%0.325SS..EExtended strand (participates in β ladder)trans-149.8133178.853.70000110.9G271G271-S277 WeakPolarHBondContact O-CA 3.48Å; G271-S277 WeakPolarHBondContact O-CB 3.33Å
278G88.3Confident85.6Confident1 Ų167.8 Ų67.81%0.0134%0.343CS..EExtended strand (participates in β ladder)trans-169.6-174.5-174.200000110.6D248 R270 G271D248-G278 CarbonylContact O-C 3.6Å; D248-G278 WeakPolarHBondContact O-CA 3.09Å; R270-G278 WeakPolarHBondContact CA-O 3.39Å; G271-G278 PolarHBondContact N-O 2.7Å; G271-G278 PolarHBondContact O-N 2.92Å
279L86.5Confident85.5Confident67 Ų6766.3 Ų66.335%0.35134%0.341SS..EExtended strand (participates in β ladder)trans-83.3145.3177.9-60.7176.9000111.5D248 E249 L250 W268 W269 R270D248-L279 PolarHBondContact O-N 2.94Å; E249-L279 CarbonylContact C-O 3.53Å; E249-L279 WeakPolarHBondContact CA-O 3.31Å; L250-L279 PolarHBondContact N-O 2.82Å; W268-L279 HydrophobicContact CE3-CB 3.93Å; W269-L279 CarbonylContact O-C 3.58Å; W269-L279 WeakPolarHBondContact O-CA 3.5Å; R270-L279 HydrophobicContact CB-CD2 4.11Å; R270-L279 HydrophobicContact CG-CD2 4.33Å
280F89.4Confident85.3Confident0 Ų066.4 Ų66.40%035%0.346CS..EExtended strand (participates in β ladder)trans-143.5150.8171.568.2-86.3000112.2V236 L250 F252 I258 V260 W268 W269 A282 T285V236-F280 HydrophobicContact CG2-CE2 4.1Å; V236-F280 HydrophobicContact CG2-CZ 3.91Å; L250-F280 HydrophobicContact CD2-CD1 4.42Å; F252-F280 HydrophobicContact CD1-CB 4.49Å; F252-F280 HydrophobicContact CE1-CB 3.63Å; F252-F280 HydrophobicContact CE1-CD2 4.46Å; F252-F280 HydrophobicContact CE1-CG 4.27Å; F252-F280 HydrophobicContact CZ-CB 4.38Å; I258-F280 HydrophobicContact CD1-CD2 4.49Å; I258-F280 HydrophobicContact CG2-CD1 4.35Å; I258-F280 HydrophobicContact CG2-CE1 3.89Å; I258-F280 HydrophobicContact CG2-CZ 4.3Å; V260-F280 HydrophobicContact CG2-CZ 4.07Å; W268-F280 WeakPolarHBondContact CA-O 3.45Å; W268-F280 VanDerWaalsContact CE3-C 3.45Å; W269-F280 HydrophobicContact CB-CD1 4.41Å; W269-F280 HydrophobicContact CB-CE1 3.78Å; W269-F280 HydrophobicContact CB-CE2 4.08Å; W269-F280 HydrophobicContact CB-CZ 3.6Å; W269-F280 HydrophobicContact CE3-CE2 4.08Å; W269-F280 HydrophobicContact CE3-CZ 4.02Å; W269-F280 PolarHBondContact N-O 2.8Å; W269-F280 WeakPolarHBondContact O-CD1 3.31Å; W269-F280 WeakPolarHBondContact O-CE1 3.15Å; W269-F280 PolarHBondContact O-N 3Å; F280-A282 PolarHBondContact O-N 2.89Å; F280-T285 HydrophobicContact CD2-CG2 3.7Å; F280-T285 HydrophobicContact CE2-CG2 3.44Å; F280-T285 VanDerWaalsContact CE2-CG2 3.44Å
281P85.6Confident85.3Confident17 Ų1763.9 Ų63.911%0.1134%0.342CS..EExtended strand (participates in β ladder)trans-72.1117.2179.227.6-34.4000111.6F242 A267 N283 H284F242-P281 HydrophobicContact CD2-CG 3.92Å; F242-P281 HydrophobicContact CE2-CG 3.8Å; F242-P281 HydrophobicContact CG-CG 4.48Å; F242-P281 HydrophobicContact CZ-CG 4.26Å; A267-P281 CarbonylContact O-C 3.56Å; A267-P281 WeakPolarHBondContact O-CA 3.38Å; P281-N283 VanDerWaalsContact C-N 3.25Å; P281-N283 PolarHBondContact O-N 3.43Å; P281-N283 VanDerWaalsContact O-N 3.14Å; P281-H284 HydrophobicContact CG-CB 4.2Å; P281-H284 VanDerWaalsContact CG-ND1 3.34Å; P281-H284 WeakPolarHBondContact CG-ND1 3.21Å; P281-H284 PolarHBondContact O-N 3.36Å
282A84.7Confident84.9Confident5 Ų567.6 Ų67.64%0.04136%0.362CS..G310 helixtrans-52-41.7-175.100000113.1A267 W269 F280 H284 T285A267-A282 PolarHBondContact O-N 2.76Å; W269-A282 HydrophobicContact CD2-CB 3.53Å; W269-A282 HydrophobicContact CE3-CB 3.84Å; W269-A282 HydrophobicContact CG-CB 3.97Å; W269-A282 HydrophobicContact CH2-CB 4.13Å; W269-A282 HydrophobicContact CZ2-CB 3.84Å; W269-A282 HydrophobicContact CZ3-CB 4.12Å; F280-A282 PolarHBondContact O-N 2.89Å; A282-H284 PolarHBondContact O-N 3.49Å; A282-H284 VanDerWaalsContact O-N 3.1Å; A282-T285 PolarHBondContact O-N 3.22Å; A282-T285 PolarHBondContact O-OG1 3Å
283N86.2Confident84.6Confident138 Ų13865.4 Ų65.474%0.73836%0.361SS*.G310 helixtrans-61.4-15.5179.6-70.6-29.8000114.9P281 T285P281-N283 VanDerWaalsContact C-N 3.25Å; P281-N283 PolarHBondContact O-N 3.43Å; P281-N283 VanDerWaalsContact O-N 3.14Å; N283-T285 VanDerWaalsContact C-N 3.26Å
284H83.1Confident84.3Confident67 Ų6768.9 Ų68.931%0.3138%0.38SS..G310 helixtrans-87.66.4175.4-67.769.4000112.5L239 Y240 F252 P281 A282L239-H284 PolarHBondContact N-O 2.77Å; Y240-H284 HydrophobicContact CD2-CB 4.44Å; Y240-H284 AromaticContact CD2-CD2 3.89Å; F252-H284 HydrophobicContact CE2-CB 4.46Å; F252-H284 HydrophobicContact CZ-CB 4.21Å; P281-H284 HydrophobicContact CG-CB 4.2Å; P281-H284 VanDerWaalsContact CG-ND1 3.34Å; P281-H284 WeakPolarHBondContact CG-ND1 3.21Å; P281-H284 PolarHBondContact O-N 3.36Å; A282-H284 PolarHBondContact O-N 3.49Å; A282-H284 VanDerWaalsContact O-N 3.1Å
285T89.1Confident84.3Confident14 Ų1460.4 Ų60.49%0.08636%0.357CS..EExtended strand (participates in β ladder)trans-133.3158-176.872.60000112.4V236 R237 I258 F280 A282 N283V236-T285 HydrophobicContact CG2-CG2 3.93Å; R237-T285 CarbonylContact O-C 3.57Å; R237-T285 VanDerWaalsContact O-CA 3.31Å; R237-T285 WeakPolarHBondContact O-CA 3.22Å; I258-T285 HydrophobicContact CD1-CG2 4.25Å; F280-T285 HydrophobicContact CD2-CG2 3.7Å; F280-T285 HydrophobicContact CE2-CG2 3.44Å; F280-T285 VanDerWaalsContact CE2-CG2 3.44Å; A282-T285 PolarHBondContact O-N 3.22Å; A282-T285 PolarHBondContact O-OG1 3Å; N283-T285 VanDerWaalsContact C-N 3.26Å
286A85.9Confident84.8Confident23 Ų2360.1 Ų60.119%0.1933%0.333CS..EExtended strand (participates in β ladder)trans-128.1145.1172.400000110.9V236 R237 L239V236-A286 CarbonylContact C-O 3.53Å; V236-A286 VanDerWaalsContact CA-O 3.3Å; V236-A286 WeakPolarHBondContact CA-O 3.42Å; R237-A286 PolarHBondContact N-O 3.44Å; R237-A286 PolarHBondContact O-N 3.36Å; L239-A286 HydrophobicContact CD1-CB 4.21Å; L239-A286 HydrophobicContact CD2-CB 3.84Å; L239-A286 HydrophobicContact CG-CB 4.13Å
287P84.1Confident85.3Confident107 Ų10753.3 Ų53.370%0.69531%0.305SS*.EExtended strand (participates in β ladder)trans-62.4155.1171.428.8-35.3000111.5
288I75.6Confident85.3Confident146 Ų14653.2 Ų53.275%0.74930%0.298SS*.  trans-120.50176.665174.5000112.4H235 R237 I257H235-I288 HydrophobicContact CB-CD1 3.72Å; H235-I288 HydrophobicContact CB-CG1 3.99Å; R237-I288 HydrophobicContact CB-CG2 3.65Å; I257-I288 HydrophobicContact CD1-CD1 4.36Å; I257-I288 HydrophobicContact CG2-CD1 3.87Å

Retrieved 288 of 288 residues in 70.5 ms (Link to these results)

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