A0A077ZN34_TRITR Loading...

WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZN34, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 122 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
1M69.9Low92.6Very high136 Ų13684.5 Ų84.567%0.6743%0.425SS*.  0122.30-177.8-176.4-76.800107.2T17 V23M1-T17 HydrophobicContact CG-CG2 3.83Å; M1-T17 HydrophobicContact SD-CG2 3.73Å; M1-V23 HydrophobicContact CE-CG2 3.89Å; M1-V23 HydrophobicContact SD-CG2 3.86Å
2S91.6Very high92.7Very high76 Ų7679.7 Ų79.753%0.53140%0.401SS..  trans-89.6120.9177.7-57.40000109.3T17 M18S2-T17 WeakPolarHBondContact O-CA 3.22Å; S2-M18 PolarHBondContact O-N 2.82Å
3I95.3Very high93Very high73 Ų7377.1 Ų77.137%0.37439%0.388SS..EExtended strand (participates in β ladder)trans-101.9128.8-179-60.8169.8000107.9R5 M6 C15I3-R5 WeakPolarHBondContact CG2-O 3.45Å; I3-M6 HydrophobicContact CG2-CG 3.69Å; I3-M6 HydrophobicContact CG2-SD 4.34Å; I3-C15 HydrophobicContact CD1-CB 4.22Å; I3-C15 HydrophobicContact CG1-CB 4.34Å; I3-C15 HydrophobicContact CG2-CB 4.03Å
4N95.4Very high93.2Very high76 Ų7671.6 Ų71.641%0.40636%0.361SS..EExtended strand (participates in β ladder)trans-98-38177.3-72.6-18.3000112.1G16 M18 V43N4-G16 PolarHBondContact N-O 2.91Å; N4-M18 PolarHBondContact ND2-SD 2.88Å; N4-M18 PolarHBondContact OD1-SD 3.35Å; N4-V43 WeakPolarHBondContact CB-O 3.34Å; N4-V43 PolarHBondContact ND2-O 3.38Å
5R97.8Very high93.6Very high112 Ų11267 Ų6742%0.42334%0.338SS..EExtended strand (participates in β ladder)trans-140145.9-174.1-169.965169.3-158.1-12111I3 C15 G16 D45 L46I3-R5 WeakPolarHBondContact CG2-O 3.45Å; R5-C15 CarbonylContact O-C 3.49Å; R5-C15 WeakPolarHBondContact O-CA 3.49Å; R5-G16 PolarHBondContact N-O 3.25Å; R5-G16 PolarHBondContact O-N 3.36Å; R5-D45 WeakPolarHBondContact CD-OD1 3.41Å; R5-D45 IonicContact CZ-OD1 3.85Å; R5-D45 IonicContact NE-OD1 3.06Å; R5-D45 PolarHBondContact NE-OD1 3.19Å; R5-D45 IonicContact NH1-OD1 2.87Å; R5-D45 IonicContact NH2-OD1 3.1Å; R5-D45 PolarHBondContact NH2-OD1 2.79Å; R5-D45 VanDerWaalsContact NH2-OD1 3.1Å; R5-L46 HydrophobicContact CG-CB 4Å; R5-L46 HydrophobicContact CG-CG 4.49Å
6M98Very high93.8Very high113 Ų11362.8 Ų62.856%0.55732%0.317SS*.EExtended strand (participates in β ladder)trans-133.8138.3175.4-67.3-177.6-69.200109.7I3 L13 F14I3-M6 HydrophobicContact CG2-CG 3.69Å; I3-M6 HydrophobicContact CG2-SD 4.34Å; M6-L13 HydrophobicContact CB-CD1 4.01Å; M6-L13 HydrophobicContact SD-CD2 4.34Å; M6-F14 CarbonylContact C-O 3.53Å; M6-F14 VanDerWaalsContact CA-O 3.25Å; M6-F14 WeakPolarHBondContact CA-O 3.37Å
7V97.7Very high94.1Very high19 Ų1959.1 Ų59.112%0.11530%0.298CS..EExtended strand (participates in β ladder)trans-136.1145.6170.8-64.60000110.3F14 L46 A48 I55V7-F14 HydrophobicContact CG2-CB 3.82Å; V7-F14 PolarHBondContact N-O 2.96Å; V7-F14 PolarHBondContact O-N 3.24Å; V7-L46 HydrophobicContact CG1-CB 3.88Å; V7-L46 WeakPolarHBondContact CG1-O 3.48Å; V7-L46 HydrophobicContact CG2-CB 3.83Å; V7-L46 HydrophobicContact CG2-CD1 4.31Å; V7-A48 HydrophobicContact CG2-CB 4.41Å; V7-I55 HydrophobicContact CG2-CD1 4.38Å
8I96.4Very high94.3Very high109 Ų10960.8 Ų60.856%0.55931%0.306SS*.EExtended strand (participates in β ladder)trans-96.6137.2174.1-64.9174.3000107.9K10 M12 L13 I27I8-K10 WeakPolarHBondContact CG2-O 3.35Å; I8-M12 WeakPolarHBondContact CA-O 3.33Å; I8-L13 HydrophobicContact CG1-CD1 4.08Å; I8-I27 HydrophobicContact CG1-CD1 4.34Å; I8-I27 HydrophobicContact CG2-CD1 4.03Å
9Y93.8Very high94.4Very high4 Ų462.1 Ų62.12%0.01632%0.319CS..EExtended strand (participates in β ladder)trans-137.3112.9169.9163.4-93000107D11 M12 F14 E50 D53 I55 I69Y9-D11 PolarHBondContact O-N 2.93Å; Y9-M12 HydrophobicContact CD1-CE 3.49Å; Y9-M12 VanDerWaalsContact CD1-CE 3.49Å; Y9-M12 HydrophobicContact CE1-CE 3.49Å; Y9-M12 VanDerWaalsContact CE1-CE 3.49Å; Y9-M12 PolarHBondContact N-O 3.31Å; Y9-M12 PolarHBondContact O-N 2.82Å; Y9-F14 AromaticContact CD1-CE2 3.96Å; Y9-F14 HydrophobicContact CD1-CE2 3.96Å; Y9-F14 HydrophobicContact CG-CE2 4.4Å; Y9-E50 HydrophobicContact CD2-CG 3.93Å; Y9-E50 HydrophobicContact CE2-CG 4.37Å; Y9-D53 WeakPolarHBondContact OH-CB 3.2Å; Y9-D53 PolarHBondContact OH-OD1 3.12Å; Y9-I55 HydrophobicContact CG-CD1 4.47Å; Y9-I69 HydrophobicContact CD1-CG2 4.27Å; Y9-I69 HydrophobicContact CE1-CB 4.32Å; Y9-I69 HydrophobicContact CE1-CG2 3.7Å
10K91.2Very high94.5Very high107 Ų10759 Ų5947%0.46530%0.303SS..THydrogen-bonded Turntrans51.5-126.6-170.9-57.6173.1-176.9165.10110.6I8 M12 E50 D53I8-K10 WeakPolarHBondContact CG2-O 3.35Å; K10-M12 VanDerWaalsContact C-N 3.31Å; K10-M12 PolarHBondContact O-N 2.68Å; K10-E50 PolarHBondContact N-OE1 3.42Å; K10-E50 VanDerWaalsContact N-OE1 3.13Å; K10-D53 IonicContact NZ-OD1 2.79Å; K10-D53 PolarHBondContact NZ-OD1 3.12Å
11D92.1Very high94.7Very high105 Ų10557.4 Ų57.456%0.56130%0.295SS*.THydrogen-bonded Turntrans-91.817.7178.9-61.1-43.8000113.5Y9 I27Y9-D11 PolarHBondContact O-N 2.93Å; D11-I27 WeakPolarHBondContact O-CB 3.46Å; D11-I27 WeakPolarHBondContact O-CG1 3.35Å; D11-I27 PolarHBondContact O-N 3.48Å
12M93.5Very high96Very high26 Ų2651 Ų5113%0.12826%0.263CS..EExtended strand (participates in β ladder)trans-118.3139.4-177.5-63.9178.3-64.300111.8I8 Y9 K10 F14 Y25 V33 I69 V72I8-M12 WeakPolarHBondContact CA-O 3.33Å; Y9-M12 HydrophobicContact CD1-CE 3.49Å; Y9-M12 VanDerWaalsContact CD1-CE 3.49Å; Y9-M12 HydrophobicContact CE1-CE 3.49Å; Y9-M12 VanDerWaalsContact CE1-CE 3.49Å; Y9-M12 PolarHBondContact N-O 3.31Å; Y9-M12 PolarHBondContact O-N 2.82Å; K10-M12 VanDerWaalsContact C-N 3.31Å; K10-M12 PolarHBondContact O-N 2.68Å; M12-F14 HydrophobicContact CB-CD2 4.36Å; M12-F14 HydrophobicContact CB-CE2 3.88Å; M12-F14 HydrophobicContact CE-CE2 4.27Å; M12-Y25 CarbonylContact C-O 3.56Å; M12-Y25 VanDerWaalsContact CA-O 3.27Å; M12-Y25 WeakPolarHBondContact CA-O 3.45Å; M12-V33 HydrophobicContact SD-CG2 4.33Å; M12-I69 HydrophobicContact CE-CG2 4.27Å; M12-V72 HydrophobicContact CE-CB 3.99Å; M12-V72 HydrophobicContact CE-CG2 3.45Å; M12-V72 VanDerWaalsContact CE-CG2 3.45Å; M12-V72 HydrophobicContact SD-CB 3.51Å; M12-V72 VanDerWaalsContact SD-CB 3.51Å; M12-V72 HydrophobicContact SD-CG1 3.57Å; M12-V72 VanDerWaalsContact SD-CG1 3.57Å; M12-V72 HydrophobicContact SD-CG2 3.59Å; M12-V72 VanDerWaalsContact SD-CG2 3.59Å
13L96.1Very high96.2Very high46 Ų4647.3 Ų47.324%0.24124%0.238CC..EExtended strand (participates in β ladder)trans-103.6114.7173.3178.468.8000109.2M6 I8 A24 Y25 I27M6-L13 HydrophobicContact CB-CD1 4.01Å; M6-L13 HydrophobicContact SD-CD2 4.34Å; I8-L13 HydrophobicContact CG1-CD1 4.08Å; L13-A24 CarbonylContact O-C 3.6Å; L13-A24 VanDerWaalsContact O-CA 3.25Å; L13-A24 WeakPolarHBondContact O-CA 3.42Å; L13-Y25 PolarHBondContact N-O 2.98Å; L13-Y25 PolarHBondContact O-N 2.87Å; L13-I27 HydrophobicContact CB-CD1 4.47Å; L13-I27 HydrophobicContact CB-CG1 4.02Å
14F96.8Very high96.2Very high1 Ų143.9 Ų43.90%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-94.7130.7173.4-73-103.1000110.3M6 V7 Y9 M12 I22 V23 A24 L34 L46 I55 I69M6-F14 CarbonylContact C-O 3.53Å; M6-F14 VanDerWaalsContact CA-O 3.25Å; M6-F14 WeakPolarHBondContact CA-O 3.37Å; V7-F14 HydrophobicContact CG2-CB 3.82Å; V7-F14 PolarHBondContact N-O 2.96Å; V7-F14 PolarHBondContact O-N 3.24Å; Y9-F14 AromaticContact CD1-CE2 3.96Å; Y9-F14 HydrophobicContact CD1-CE2 3.96Å; Y9-F14 HydrophobicContact CG-CE2 4.4Å; M12-F14 HydrophobicContact CB-CD2 4.36Å; M12-F14 HydrophobicContact CB-CE2 3.88Å; M12-F14 HydrophobicContact CE-CE2 4.27Å; F14-I22 HydrophobicContact CD1-CG2 3.81Å; F14-V23 CarbonylContact C-O 3.54Å; F14-A24 HydrophobicContact CD1-CB 3.75Å; F14-A24 HydrophobicContact CD2-CB 4.29Å; F14-A24 HydrophobicContact CE1-CB 3.66Å; F14-A24 HydrophobicContact CE2-CB 4.19Å; F14-A24 HydrophobicContact CG-CB 4.07Å; F14-A24 HydrophobicContact CZ-CB 3.88Å; F14-L34 HydrophobicContact CE1-CD2 4.01Å; F14-L46 HydrophobicContact CB-CD1 4.27Å; F14-I55 HydrophobicContact CD1-CG1 4.25Å; F14-I55 HydrophobicContact CD2-CD1 4.15Å; F14-I55 HydrophobicContact CE1-CG1 4.15Å; F14-I55 HydrophobicContact CE2-CD1 4.35Å; F14-I55 HydrophobicContact CE2-CG1 4.46Å; F14-I55 HydrophobicContact CG-CD1 4.27Å; F14-I55 HydrophobicContact CG-CG1 4.45Å; F14-I55 HydrophobicContact CZ-CG1 4.27Å; F14-I69 HydrophobicContact CE1-CD1 3.92Å; F14-I69 HydrophobicContact CE1-CG1 4.39Å; F14-I69 HydrophobicContact CZ-CD1 4.06Å; F14-I69 HydrophobicContact CZ-CG1 4.12Å; F14-I69 HydrophobicContact CZ-CG2 3.95Å
15C97.9Very high96.1Very high2 Ų242.8 Ų42.81%0.01421%0.211CC..EExtended strand (participates in β ladder)trans-120.9121.2-176.1-65.40000110.3I3 R5 I22 V23 Y25I3-C15 HydrophobicContact CD1-CB 4.22Å; I3-C15 HydrophobicContact CG1-CB 4.34Å; I3-C15 HydrophobicContact CG2-CB 4.03Å; R5-C15 CarbonylContact O-C 3.49Å; R5-C15 WeakPolarHBondContact O-CA 3.49Å; C15-I22 WeakPolarHBondContact O-CA 3.45Å; C15-V23 WeakPolarHBondContact CB-O 3.34Å; C15-V23 PolarHBondContact N-O 2.83Å; C15-V23 PolarHBondContact O-N 2.96Å; C15-Y25 HydrophobicContact CB-CE2 4.23Å
16G98.2Very high96Very high0 Ų039 Ų390%020%0.199CC..EExtended strand (participates in β ladder)trans-88.2130.2171.200000110.3N4 R5N4-G16 PolarHBondContact N-O 2.91Å; R5-G16 PolarHBondContact N-O 3.25Å; R5-G16 PolarHBondContact O-N 3.36Å
17T98.1Very high95.8Very high0 Ų037.4 Ų37.40%019%0.192CC..EExtended strand (participates in β ladder)trans-116.4159.7-169.569.70000113.6M1 S2 P19 G20 L21 V23 V43M1-T17 HydrophobicContact CG-CG2 3.83Å; M1-T17 HydrophobicContact SD-CG2 3.73Å; S2-T17 WeakPolarHBondContact O-CA 3.22Å; T17-P19 WeakPolarHBondContact OG1-CD 3.27Å; T17-G20 PolarHBondContact O-N 2.81Å; T17-G20 VanDerWaalsContact O-N 3.11Å; T17-L21 HydrophobicContact CG2-CB 4.44Å; T17-L21 PolarHBondContact N-O 2.86Å; T17-L21 WeakPolarHBondContact OG1-CA 3.38Å; T17-L21 VanDerWaalsContact OG1-CB 3.29Å; T17-L21 WeakPolarHBondContact OG1-CB 3.24Å; T17-L21 PolarHBondContact OG1-N 2.79Å; T17-L21 PolarHBondContact OG1-O 3.43Å; T17-V23 HydrophobicContact CG2-CG2 4.15Å; T17-V43 PolarHBondContact O-N 2.89Å
18M97.5Very high95.7Very high89 Ų8942.5 Ų42.544%0.43822%0.218SC..THydrogen-bonded Turntrans-58.7-37.6175.5-74.7-65.4-67.800114.5S2 N4 G20 P42S2-M18 PolarHBondContact O-N 2.82Å; N4-M18 PolarHBondContact ND2-SD 2.88Å; N4-M18 PolarHBondContact OD1-SD 3.35Å; M18-G20 PolarHBondContact O-N 3.42Å; M18-P42 HydrophobicContact CE-CB 4.45Å; M18-P42 HydrophobicContact CE-CG 3.76Å; M18-P42 VanDerWaalsContact O-CA 3.22Å; M18-P42 WeakPolarHBondContact O-CA 3.49Å; M18-P42 VanDerWaalsContact O-CG 3.29Å; M18-P42 WeakPolarHBondContact O-CG 3.29Å; M18-P42 HydrophobicContact SD-CB 3.88Å; M18-P42 HydrophobicContact SD-CG 3.85Å
19P96.4Very high95.6Very high85 Ų8540.1 Ų40.155%0.55221%0.212SC*.THydrogen-bonded Turntrans-73.2-2.5175.1-22.136.1000115.3T17T17-P19 WeakPolarHBondContact OG1-CD 3.27Å
20G97.5Very high95.5Very high0 Ų043.6 Ų43.60%024%0.241CC..SBendtrans91.212.2-177.600000114.9T17 M18 A38 H39 R41T17-G20 PolarHBondContact O-N 2.81Å; T17-G20 VanDerWaalsContact O-N 3.11Å; M18-G20 PolarHBondContact O-N 3.42Å; G20-A38 PolarHBondContact O-N 2.96Å; G20-H39 WeakPolarHBondContact CA-O 3.35Å; G20-H39 PolarHBondContact O-N 2.87Å; G20-R41 WeakPolarHBondContact CA-O 3.41Å
21L97.5Very high95.7Very high26 Ų2643.2 Ų43.214%0.13624%0.244CC..EExtended strand (participates in β ladder)trans-84.6146.9173.5-50.9176.9000111.2T17 V23 E35 I36 N37T17-L21 HydrophobicContact CG2-CB 4.44Å; T17-L21 PolarHBondContact N-O 2.86Å; T17-L21 WeakPolarHBondContact OG1-CA 3.38Å; T17-L21 VanDerWaalsContact OG1-CB 3.29Å; T17-L21 WeakPolarHBondContact OG1-CB 3.24Å; T17-L21 PolarHBondContact OG1-N 2.79Å; T17-L21 PolarHBondContact OG1-O 3.43Å; L21-V23 HydrophobicContact CB-CG2 4.26Å; L21-E35 HydrophobicContact CD1-CG 4.41Å; L21-I36 VanDerWaalsContact CA-O 3.29Å; L21-I36 WeakPolarHBondContact CA-O 3.44Å; L21-N37 HydrophobicContact CD2-CB 4.36Å; L21-N37 WeakPolarHBondContact CD2-OD1 3.48Å
22I97.3Very high95.8Very high1 Ų142.1 Ų42.11%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-105.3123.6159.4-59.7170.6000107.2F14 C15 I36 A38 V43 L46F14-I22 HydrophobicContact CD1-CG2 3.81Å; C15-I22 WeakPolarHBondContact O-CA 3.45Å; I22-I36 HydrophobicContact CB-CB 4.31Å; I22-I36 PolarHBondContact N-O 3.41Å; I22-I36 PolarHBondContact O-N 3.13Å; I22-A38 HydrophobicContact CB-CB 4.43Å; I22-A38 HydrophobicContact CD1-CB 3.53Å; I22-A38 HydrophobicContact CG1-CB 3.63Å; I22-V43 HydrophobicContact CG1-CG2 4.28Å; I22-L46 HydrophobicContact CD1-CD2 3.92Å; I22-L46 HydrophobicContact CG1-CD2 4.13Å
23V95.9Very high95.7Very high0 Ų043.5 Ų43.50%025%0.251CS..EExtended strand (participates in β ladder)trans-118.2126.7178.8-171.40000108.5M1 F14 C15 T17 L21 Y25 V32 L34 E35M1-V23 HydrophobicContact CE-CG2 3.89Å; M1-V23 HydrophobicContact SD-CG2 3.86Å; F14-V23 CarbonylContact C-O 3.54Å; C15-V23 WeakPolarHBondContact CB-O 3.34Å; C15-V23 PolarHBondContact N-O 2.83Å; C15-V23 PolarHBondContact O-N 2.96Å; T17-V23 HydrophobicContact CG2-CG2 4.15Å; L21-V23 HydrophobicContact CB-CG2 4.26Å; V23-Y25 HydrophobicContact CB-CE2 3.9Å; V23-Y25 HydrophobicContact CG1-CD2 4.25Å; V23-Y25 HydrophobicContact CG1-CE1 4.44Å; V23-Y25 HydrophobicContact CG1-CE2 3.48Å; V23-Y25 VanDerWaalsContact CG1-CE2 3.48Å; V23-V32 HydrophobicContact CG1-CG1 3.85Å; V23-V32 HydrophobicContact CG1-CG2 4.25Å; V23-L34 WeakPolarHBondContact CA-O 3.44Å; V23-E35 HydrophobicContact CG2-CG 4.37Å
24A95.1Very high95.6Very high0 Ų042 Ų420%024%0.243CC..EExtended strand (participates in β ladder)trans-106.5139.2175.100000111.1L13 F14 V33 L34L13-A24 CarbonylContact O-C 3.6Å; L13-A24 VanDerWaalsContact O-CA 3.25Å; L13-A24 WeakPolarHBondContact O-CA 3.42Å; F14-A24 HydrophobicContact CD1-CB 3.75Å; F14-A24 HydrophobicContact CD2-CB 4.29Å; F14-A24 HydrophobicContact CE1-CB 3.66Å; F14-A24 HydrophobicContact CE2-CB 4.19Å; F14-A24 HydrophobicContact CG-CB 4.07Å; F14-A24 HydrophobicContact CZ-CB 3.88Å; A24-V33 HydrophobicContact CB-CG2 3.96Å; A24-V33 WeakPolarHBondContact O-CG2 3.45Å; A24-V33 PolarHBondContact O-N 3.35Å; A24-L34 HydrophobicContact CB-CB 3.94Å; A24-L34 HydrophobicContact CB-CD2 4.22Å; A24-L34 PolarHBondContact N-O 3.02Å; A24-L34 PolarHBondContact O-N 3.43Å
25Y94.3Very high95.4Very high53 Ų5347.2 Ų47.221%0.20827%0.267CS..EExtended strand (participates in β ladder)trans-119.9141.8178.6-59.7-99.9000109.9M12 L13 C15 V23 D31 V32M12-Y25 CarbonylContact C-O 3.56Å; M12-Y25 VanDerWaalsContact CA-O 3.27Å; M12-Y25 WeakPolarHBondContact CA-O 3.45Å; L13-Y25 PolarHBondContact N-O 2.98Å; L13-Y25 PolarHBondContact O-N 2.87Å; C15-Y25 HydrophobicContact CB-CE2 4.23Å; V23-Y25 HydrophobicContact CB-CE2 3.9Å; V23-Y25 HydrophobicContact CG1-CD2 4.25Å; V23-Y25 HydrophobicContact CG1-CE1 4.44Å; V23-Y25 HydrophobicContact CG1-CE2 3.48Å; V23-Y25 VanDerWaalsContact CG1-CE2 3.48Å; Y25-D31 CarbonylContact C-O 3.57Å; Y25-D31 VanDerWaalsContact CA-O 3.24Å; Y25-D31 WeakPolarHBondContact CA-O 3.29Å; Y25-V32 HydrophobicContact CD1-CG2 3.81Å; Y25-V32 HydrophobicContact CE1-CG2 3.37Å
26D93.9Very high95.3Very high33 Ų3347.8 Ų47.818%0.17627%0.27CS..EExtended strand (participates in β ladder)trans-71.7125.2163.1-174.8-70.7000108.5N28 S29 A30 D31 V33D26-N28 VanDerWaalsContact C-N 3.25Å; D26-N28 PolarHBondContact O-N 3.29Å; D26-N28 WeakPolarHBondContact OD1-CA 3.25Å; D26-N28 WeakPolarHBondContact OD1-CB 3.48Å; D26-N28 PolarHBondContact OD1-N 3.13Å; D26-S29 PolarHBondContact OD1-N 2.52Å; D26-A30 WeakPolarHBondContact O-CA 3.25Å; D26-A30 PolarHBondContact O-N 3.47Å; D26-D31 PolarHBondContact N-O 2.83Å; D26-V33 HydrophobicContact CB-CG1 3.87Å
27I94.5Very high95.2Very high79 Ų7954.1 Ų54.141%0.40530%0.304SS..THydrogen-bonded Turntrans-67.1-29.8-175.1-68.5172.6000111.6I8 D11 L13I8-I27 HydrophobicContact CG1-CD1 4.34Å; I8-I27 HydrophobicContact CG2-CD1 4.03Å; D11-I27 WeakPolarHBondContact O-CB 3.46Å; D11-I27 WeakPolarHBondContact O-CG1 3.35Å; D11-I27 PolarHBondContact O-N 3.48Å; L13-I27 HydrophobicContact CB-CD1 4.47Å; L13-I27 HydrophobicContact CB-CG1 4.02Å
28N94.8Very high95.1Very high126 Ų12654.2 Ų54.267%0.67430%0.304SS*.THydrogen-bonded Turntrans-84.2-41.4-174.8-58.9-71000111.9D26D26-N28 VanDerWaalsContact C-N 3.25Å; D26-N28 PolarHBondContact O-N 3.29Å; D26-N28 WeakPolarHBondContact OD1-CA 3.25Å; D26-N28 WeakPolarHBondContact OD1-CB 3.48Å; D26-N28 PolarHBondContact OD1-N 3.13Å
29S94.6Very high95.2Very high60 Ų6050.8 Ų50.842%0.4229%0.288SS..THydrogen-bonded Turntrans-93.2-15.3-179.7800000114D26 D31D26-S29 PolarHBondContact OD1-N 2.52Å; S29-D31 WeakPolarHBondContact CB-OD2 3.35Å; S29-D31 PolarHBondContact O-N 3.13Å; S29-D31 WeakPolarHBondContact OG-CB 3.16Å; S29-D31 VanDerWaalsContact OG-CG 3.26Å; S29-D31 PolarHBondContact OG-N 2.94Å; S29-D31 PolarHBondContact OG-OD2 3.12Å
30A93.1Very high95.2Very high76 Ų7651.6 Ų51.663%0.62830%0.295SS*.  trans60.315.5-171.800000114.3D26D26-A30 WeakPolarHBondContact O-CA 3.25Å; D26-A30 PolarHBondContact O-N 3.47Å
31D94.4Very high95.3Very high99 Ų9957 Ų5753%0.52932%0.316SS..  trans-81.4146.2177.2-63.2-49.5000111.1Y25 D26 S29 V33Y25-D31 CarbonylContact C-O 3.57Å; Y25-D31 VanDerWaalsContact CA-O 3.24Å; Y25-D31 WeakPolarHBondContact CA-O 3.29Å; D26-D31 PolarHBondContact N-O 2.83Å; S29-D31 WeakPolarHBondContact CB-OD2 3.35Å; S29-D31 PolarHBondContact O-N 3.13Å; S29-D31 WeakPolarHBondContact OG-CB 3.16Å; S29-D31 VanDerWaalsContact OG-CG 3.26Å; S29-D31 PolarHBondContact OG-N 2.94Å; S29-D31 PolarHBondContact OG-OD2 3.12Å; D31-V33 PolarHBondContact O-N 2.87Å
32V93.6Very high95.3Very high82 Ų8256.5 Ų56.550%0.49731%0.314SS..EExtended strand (participates in β ladder)trans-70.2120.6167.7178.10000108.3V23 Y25V23-V32 HydrophobicContact CG1-CG1 3.85Å; V23-V32 HydrophobicContact CG1-CG2 4.25Å; Y25-V32 HydrophobicContact CD1-CG2 3.81Å; Y25-V32 HydrophobicContact CE1-CG2 3.37Å
33V92.7Very high95.4Very high55 Ų5556.5 Ų56.533%0.33331%0.314SS..EExtended strand (participates in β ladder)trans-102.2-19.6178.2-63.70000112.7M12 A24 D26 D31 V72M12-V33 HydrophobicContact SD-CG2 4.33Å; A24-V33 HydrophobicContact CB-CG2 3.96Å; A24-V33 WeakPolarHBondContact O-CG2 3.45Å; A24-V33 PolarHBondContact O-N 3.35Å; D26-V33 HydrophobicContact CB-CG1 3.87Å; D31-V33 PolarHBondContact O-N 2.87Å; V33-V72 HydrophobicContact CB-CG1 4.21Å; V33-V72 HydrophobicContact CG2-CG1 3.73Å
34L92.7Very high95.5Very high14 Ų1457.8 Ų57.87%0.07332%0.322CS..EExtended strand (participates in β ladder)trans-159.3140.6-173.6175.669.6000111.1F14 V23 A24 I36 V72 T77F14-L34 HydrophobicContact CE1-CD2 4.01Å; V23-L34 WeakPolarHBondContact CA-O 3.44Å; A24-L34 HydrophobicContact CB-CB 3.94Å; A24-L34 HydrophobicContact CB-CD2 4.22Å; A24-L34 PolarHBondContact N-O 3.02Å; A24-L34 PolarHBondContact O-N 3.43Å; L34-I36 HydrophobicContact CD1-CG1 4.03Å; L34-I36 HydrophobicContact CD2-CD1 3.92Å; L34-I36 HydrophobicContact CD2-CG1 4.14Å; L34-I36 HydrophobicContact CG-CD1 4.31Å; L34-I36 HydrophobicContact CG-CG1 3.95Å; L34-V72 HydrophobicContact CB-CG1 4.2Å; L34-V72 HydrophobicContact CD2-CG1 4.42Å; L34-T77 HydrophobicContact CD1-CG2 3.9Å; L34-T77 HydrophobicContact CD2-CG2 3.37Å; L34-T77 HydrophobicContact CG-CG2 4.27Å
35E93.9Very high95.6Very high111 Ų11158.7 Ų58.752%0.51933%0.326SS..EExtended strand (participates in β ladder)trans-134.6125.1170.2-175.5175.1127.700109.4L21 V23L21-E35 HydrophobicContact CD1-CG 4.41Å; V23-E35 HydrophobicContact CG2-CG 4.37Å
36I95Very high95.8Very high15 Ų1556.1 Ų56.18%0.07732%0.317CS..EExtended strand (participates in β ladder)trans-119.4126.3-179.1-54174000109.2L21 I22 L34 A38 W67 T77L21-I36 VanDerWaalsContact CA-O 3.29Å; L21-I36 WeakPolarHBondContact CA-O 3.44Å; I22-I36 HydrophobicContact CB-CB 4.31Å; I22-I36 PolarHBondContact N-O 3.41Å; I22-I36 PolarHBondContact O-N 3.13Å; L34-I36 HydrophobicContact CD1-CG1 4.03Å; L34-I36 HydrophobicContact CD2-CD1 3.92Å; L34-I36 HydrophobicContact CD2-CG1 4.14Å; L34-I36 HydrophobicContact CG-CD1 4.31Å; L34-I36 HydrophobicContact CG-CG1 3.95Å; I36-A38 VanDerWaalsContact C-N 3.26Å; I36-A38 HydrophobicContact CG2-CB 4.14Å; I36-A38 PolarHBondContact O-N 3.19Å; I36-W67 HydrophobicContact CD1-CD2 4.48Å; I36-W67 HydrophobicContact CD1-CE3 4.24Å; I36-W67 HydrophobicContact CG2-CE3 4.09Å; I36-W67 HydrophobicContact CG2-CH2 3.63Å; I36-W67 HydrophobicContact CG2-CZ2 4.24Å; I36-W67 HydrophobicContact CG2-CZ3 3.53Å; I36-T77 HydrophobicContact CD1-CG2 4.18Å; I36-T77 WeakPolarHBondContact CD1-OG1 3.4Å
37N95.8Very high96Very high132 Ų13256.7 Ų56.771%0.70632%0.32SS*.EExtended strand (participates in β ladder)trans-74.380.9163.8-72.3-80.4000109.4L21L21-N37 HydrophobicContact CD2-CB 4.36Å; L21-N37 WeakPolarHBondContact CD2-OD1 3.48Å
38A97.1Very high96.1Very high2 Ų254.1 Ų54.12%0.01731%0.31CS..  trans-83.2-42.7-168.100000113G20 I22 I36 R65 W67G20-A38 PolarHBondContact O-N 2.96Å; I22-A38 HydrophobicContact CB-CB 4.43Å; I22-A38 HydrophobicContact CD1-CB 3.53Å; I22-A38 HydrophobicContact CG1-CB 3.63Å; I36-A38 VanDerWaalsContact C-N 3.26Å; I36-A38 HydrophobicContact CG2-CB 4.14Å; I36-A38 PolarHBondContact O-N 3.19Å; A38-R65 PolarHBondContact O-NH1 2.77Å; A38-W67 HydrophobicContact CB-CH2 4.12Å; A38-W67 HydrophobicContact CB-CZ2 3.54Å
39H98.1Very high96.2Very high18 Ų1848.7 Ų48.78%0.08328%0.281CS..  trans-140.5160.1-169.7-72-81.5000111.6G20 V43 S57 S59 D61 F63G20-H39 WeakPolarHBondContact CA-O 3.35Å; G20-H39 PolarHBondContact O-N 2.87Å; H39-V43 HydrophobicContact CB-CG2 4.49Å; H39-S57 PolarHBondContact NE2-OG 2.92Å; H39-S59 WeakPolarHBondContact ND1-CB 3.35Å; H39-D61 WeakPolarHBondContact CA-OD2 3.39Å; H39-D61 VanDerWaalsContact CB-OD2 3.25Å; H39-D61 WeakPolarHBondContact CB-OD2 3.24Å; H39-D61 IonicContact CE1-OD1 3.54Å; H39-D61 IonicContact CG-OD2 3.91Å; H39-D61 IonicContact ND1-OD1 3.07Å; H39-D61 PolarHBondContact ND1-OD1 2.96Å; H39-D61 IonicContact ND1-OD2 3.07Å; H39-D61 PolarHBondContact ND1-OD2 3.11Å; H39-F63 PolarHBondContact CE1-O 2.97Å
40S97.7Very high96Very high102 Ų10251 Ų5171%0.71329%0.285SS*.SBendtrans-92.2-6.3178.463.80000113.9D61S40-D61 PolarHBondContact N-OD2 3.27Å; S40-D61 VanDerWaalsContact OG-CB 3.3Å; S40-D61 WeakPolarHBondContact OG-CB 3.21Å; S40-D61 PolarHBondContact OG-OD2 2.99Å
41R98.2Very high96Very high113 Ų11351.2 Ų51.243%0.42628%0.282SS..SBendtrans-137.1173.7-179.9-70.6-170.263.5172.40.6108.9G20 V43 S59 E60 D61G20-R41 WeakPolarHBondContact CA-O 3.41Å; R41-V43 PolarHBondContact O-N 2.93Å; R41-S59 PolarHBondContact O-OG 3.07Å; R41-S59 VanDerWaalsContact O-OG 3.07Å; R41-E60 HydrophobicContact CB-CB 4.15Å; R41-E60 IonicContact CZ-OE2 3.53Å; R41-E60 IonicContact NE-OE2 3.64Å; R41-E60 PolarHBondContact NH1-O 3.02Å; R41-E60 IonicContact NH2-OE2 2.74Å; R41-E60 PolarHBondContact NH2-OE2 3.42Å; R41-D61 HydrophobicContact CB-CB 3.86Å; R41-D61 HydrophobicContact CG-CB 3.98Å
42P98.2Very high95.8Very high16 Ų1648 Ų4810%0.10427%0.266CS..  trans-49.6135.4-177.8-29.635.5000113.3M18 T44 S59 E60M18-P42 HydrophobicContact CE-CB 4.45Å; M18-P42 HydrophobicContact CE-CG 3.76Å; M18-P42 VanDerWaalsContact O-CA 3.22Å; M18-P42 WeakPolarHBondContact O-CA 3.49Å; M18-P42 VanDerWaalsContact O-CG 3.29Å; M18-P42 WeakPolarHBondContact O-CG 3.29Å; M18-P42 HydrophobicContact SD-CB 3.88Å; M18-P42 HydrophobicContact SD-CG 3.85Å; P42-T44 PolarHBondContact O-N 2.83Å; P42-S59 VanDerWaalsContact O-CA 3.28Å; P42-S59 WeakPolarHBondContact O-CA 3.22Å; P42-S59 VanDerWaalsContact O-CB 3.26Å; P42-S59 WeakPolarHBondContact O-CB 3.45Å; P42-S59 PolarHBondContact O-OG 3.49Å; P42-E60 PolarHBondContact O-N 2.98Å
43V98.6Very high95.8Very high0 Ų046.4 Ų46.40%026%0.255CS..EExtended strand (participates in β ladder)trans-73.1113164.2-175.10000106.5N4 T17 I22 H39 R41 D45 L46 A58N4-V43 WeakPolarHBondContact CB-O 3.34Å; N4-V43 PolarHBondContact ND2-O 3.38Å; T17-V43 PolarHBondContact O-N 2.89Å; I22-V43 HydrophobicContact CG1-CG2 4.28Å; H39-V43 HydrophobicContact CB-CG2 4.49Å; R41-V43 PolarHBondContact O-N 2.93Å; V43-D45 WeakPolarHBondContact CG1-O 3.37Å; V43-L46 HydrophobicContact CG1-CD2 3.85Å; V43-L46 HydrophobicContact CG1-CG 3.99Å; V43-A58 CarbonylContact C-O 3.5Å; V43-A58 WeakPolarHBondContact CA-O 3.36Å
44T98.3Very high95.9Very high27 Ų2745 Ų4517%0.16624%0.244CC..EExtended strand (participates in β ladder)trans-91-32.5-174.346.80000111.7P42 A58 E60 I90P42-T44 PolarHBondContact O-N 2.83Å; T44-A58 PolarHBondContact N-O 2.68Å; T44-A58 PolarHBondContact OG1-O 2.9Å; T44-E60 HydrophobicContact CG2-CG 3.55Å; T44-I90 WeakPolarHBondContact CB-O 3.46Å; T44-I90 WeakPolarHBondContact CG2-O 3.33Å; T44-I90 PolarHBondContact OG1-O 3.39Å
45D98.3Very high96.1Very high19 Ų1944.4 Ų44.410%0.10224%0.241CC..EExtended strand (participates in β ladder)trans-145.3155.3177.8-148.5-2.7000112R5 V43 A58 G92 A93R5-D45 WeakPolarHBondContact CD-OD1 3.41Å; R5-D45 IonicContact CZ-OD1 3.85Å; R5-D45 IonicContact NE-OD1 3.06Å; R5-D45 PolarHBondContact NE-OD1 3.19Å; R5-D45 IonicContact NH1-OD1 2.87Å; R5-D45 IonicContact NH2-OD1 3.1Å; R5-D45 PolarHBondContact NH2-OD1 2.79Å; R5-D45 VanDerWaalsContact NH2-OD1 3.1Å; V43-D45 WeakPolarHBondContact CG1-O 3.37Å; D45-A58 HydrophobicContact CB-CB 4.2Å; D45-A58 PolarHBondContact N-O 3.25Å; D45-A58 PolarHBondContact O-N 2.8Å; D45-G92 WeakPolarHBondContact OD2-CA 3.07Å; D45-A93 PolarHBondContact OD2-N 3.33Å
46L98.5Very high96.3Very high0 Ų039.1 Ų39.10%022%0.216CC..EExtended strand (participates in β ladder)trans-139.7142.7175.1-72.3178.9000107.2R5 V7 F14 I22 V43 I55 L56R5-L46 HydrophobicContact CG-CB 4Å; R5-L46 HydrophobicContact CG-CG 4.49Å; V7-L46 HydrophobicContact CG1-CB 3.88Å; V7-L46 WeakPolarHBondContact CG1-O 3.48Å; V7-L46 HydrophobicContact CG2-CB 3.83Å; V7-L46 HydrophobicContact CG2-CD1 4.31Å; F14-L46 HydrophobicContact CB-CD1 4.27Å; I22-L46 HydrophobicContact CD1-CD2 3.92Å; I22-L46 HydrophobicContact CG1-CD2 4.13Å; V43-L46 HydrophobicContact CG1-CD2 3.85Å; V43-L46 HydrophobicContact CG1-CG 3.99Å; L46-I55 HydrophobicContact CD2-CG2 4.1Å; L46-L56 VanDerWaalsContact CA-O 3.29Å; L46-L56 WeakPolarHBondContact CA-O 3.35Å; L46-L56 WeakPolarHBondContact CD2-O 3.3Å
47D98.2Very high96.5Very high45 Ų4538.4 Ų38.424%0.24121%0.213CC..EExtended strand (participates in β ladder)trans-141146.5171.7-166.822000110.2I55 L56 C94 F95D47-I55 CarbonylContact O-C 3.6Å; D47-I55 WeakPolarHBondContact O-CA 3.46Å; D47-L56 HydrophobicContact CB-CB 4.33Å; D47-L56 PolarHBondContact N-O 3.32Å; D47-L56 PolarHBondContact O-N 2.92Å; D47-C94 VanDerWaalsContact OD2-CA 3.29Å; D47-C94 WeakPolarHBondContact OD2-CA 3.25Å; D47-C94 WeakPolarHBondContact OD2-CB 3.15Å; D47-F95 HydrophobicContact CB-CD2 4.16Å; D47-F95 WeakPolarHBondContact OD2-CD2 3.35Å; D47-F95 PolarHBondContact OD2-N 2.88Å
48A96.8Very high96.6Very high25 Ų2532.1 Ų32.121%0.20718%0.179CC..EExtended strand (participates in β ladder)trans-117128.3-176.100000110.5V7 I55V7-A48 HydrophobicContact CG2-CB 4.41Å; A48-I55 HydrophobicContact CB-CD1 3.54Å
49N95.5Very high96.6Very high11 Ų1132 Ų326%0.05918%0.178CC..EExtended strand (participates in β ladder)trans-109.8101.7169.3-173.4-19.4000109.3S51 T52 D53 Q54 F95 N97 F98 G100N49-S51 VanDerWaalsContact C-N 3.26Å; N49-S51 PolarHBondContact O-N 3.19Å; N49-S51 PolarHBondContact OD1-N 3.32Å; N49-S51 PolarHBondContact OD1-OG 3.39Å; N49-T52 PolarHBondContact ND2-OG1 3.36Å; N49-T52 PolarHBondContact OD1-N 2.72Å; N49-D53 PolarHBondContact O-N 3.38Å; N49-D53 VanDerWaalsContact O-N 3.13Å; N49-Q54 HydrophobicContact CB-CB 4.41Å; N49-Q54 PolarHBondContact N-O 3.08Å; N49-Q54 PolarHBondContact O-N 3.38Å; N49-F95 HydrophobicContact CB-CD1 4.47Å; N49-F95 HydrophobicContact CB-CD2 3.67Å; N49-F95 HydrophobicContact CB-CE1 4.44Å; N49-F95 HydrophobicContact CB-CE2 3.63Å; N49-F95 HydrophobicContact CB-CG 4.09Å; N49-F95 HydrophobicContact CB-CZ 4.03Å; N49-N97 PolarHBondContact ND2-O 2.88Å; N49-F98 PolarHBondContact ND2-O 2.82Å; N49-F98 PolarHBondContact OD1-O 2.99Å; N49-G100 WeakPolarHBondContact ND2-CA 3.1Å; N49-G100 PolarHBondContact ND2-N 2.94Å
50E91.8Very high96.7Very high110 Ų11034.1 Ų34.151%0.51419%0.188SC..THydrogen-bonded Turntrans-68.4-25-179.6-62.9-161.615000113.4Y9 K10Y9-E50 HydrophobicContact CD2-CG 3.93Å; Y9-E50 HydrophobicContact CE2-CG 4.37Å; K10-E50 PolarHBondContact N-OE1 3.42Å; K10-E50 VanDerWaalsContact N-OE1 3.13Å
51S91.6Very high96.7Very high79 Ų7930.2 Ų30.255%0.55216%0.159SC*.THydrogen-bonded Turntrans-79.3-22.7-175.966.80000113.5N49 F98N49-S51 VanDerWaalsContact C-N 3.26Å; N49-S51 PolarHBondContact O-N 3.19Å; N49-S51 PolarHBondContact OD1-N 3.32Å; N49-S51 PolarHBondContact OD1-OG 3.39Å; S51-F98 PolarHBondContact OG-O 3.43Å
52T92Very high96.7Very high31 Ų3125.6 Ų25.619%0.1914%0.144CC..THydrogen-bonded Turntrans-112.33.617657.50000113.4N49 Q54 H68 D99N49-T52 PolarHBondContact ND2-OG1 3.36Å; N49-T52 PolarHBondContact OD1-N 2.72Å; T52-Q54 VanDerWaalsContact C-N 3.31Å; T52-Q54 PolarHBondContact O-N 3.08Å; T52-Q54 VanDerWaalsContact OG1-CD 3.25Å; T52-Q54 WeakPolarHBondContact OG1-CG 3.25Å; T52-Q54 PolarHBondContact OG1-OE1 2.81Å; T52-H68 PolarHBondContact O-CE1 2.94Å; T52-H68 PolarHBondContact O-ND1 2.89Å; T52-D99 VanDerWaalsContact CG2-C 3.48Å; T52-D99 WeakPolarHBondContact CG2-O 3.39Å
53D93.1Very high96.7Very high50 Ų5028.1 Ų28.127%0.26715%0.154SC..THydrogen-bonded Turntrans50.950.9-173.5-63.4-45.8000111.5Y9 K10 N49 H68 I69Y9-D53 WeakPolarHBondContact OH-CB 3.2Å; Y9-D53 PolarHBondContact OH-OD1 3.12Å; K10-D53 IonicContact NZ-OD1 2.79Å; K10-D53 PolarHBondContact NZ-OD1 3.12Å; N49-D53 PolarHBondContact O-N 3.38Å; N49-D53 VanDerWaalsContact O-N 3.13Å; D53-H68 PolarHBondContact O-ND1 2.78Å; D53-H68 VanDerWaalsContact O-ND1 3.12Å; D53-I69 WeakPolarHBondContact CB-O 3.34Å; D53-I69 PolarHBondContact O-N 3.29Å
54Q94.5Very high96.6Very high25 Ų2528.1 Ų28.112%0.11715%0.154CC..EExtended strand (participates in β ladder)trans-121.5143.7-177.3-72.3171.4-23.500112.3N49 T52 I66 W67 F95N49-Q54 HydrophobicContact CB-CB 4.41Å; N49-Q54 PolarHBondContact N-O 3.08Å; N49-Q54 PolarHBondContact O-N 3.38Å; T52-Q54 VanDerWaalsContact C-N 3.31Å; T52-Q54 PolarHBondContact O-N 3.08Å; T52-Q54 VanDerWaalsContact OG1-CD 3.25Å; T52-Q54 WeakPolarHBondContact OG1-CG 3.25Å; T52-Q54 PolarHBondContact OG1-OE1 2.81Å; Q54-I66 HydrophobicContact CB-CG2 3.9Å; Q54-I66 HydrophobicContact CG-CG2 3.85Å; Q54-W67 CarbonylContact C-O 3.52Å; Q54-W67 VanDerWaalsContact CA-O 3.25Å; Q54-W67 WeakPolarHBondContact CA-O 3.41Å; Q54-F95 HydrophobicContact CB-CZ 3.82Å
55I97Very high96.6Very high1 Ų130 Ų301%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-114.2128.5166-62.5-68.9000107.7V7 Y9 F14 L46 D47 A48 I66 W67 I69V7-I55 HydrophobicContact CG2-CD1 4.38Å; Y9-I55 HydrophobicContact CG-CD1 4.47Å; F14-I55 HydrophobicContact CD1-CG1 4.25Å; F14-I55 HydrophobicContact CD2-CD1 4.15Å; F14-I55 HydrophobicContact CE1-CG1 4.15Å; F14-I55 HydrophobicContact CE2-CD1 4.35Å; F14-I55 HydrophobicContact CE2-CG1 4.46Å; F14-I55 HydrophobicContact CG-CD1 4.27Å; F14-I55 HydrophobicContact CG-CG1 4.45Å; F14-I55 HydrophobicContact CZ-CG1 4.27Å; L46-I55 HydrophobicContact CD2-CG2 4.1Å; D47-I55 CarbonylContact O-C 3.6Å; D47-I55 WeakPolarHBondContact O-CA 3.46Å; A48-I55 HydrophobicContact CB-CD1 3.54Å; I55-I66 CarbonylContact O-C 3.58Å; I55-I66 WeakPolarHBondContact O-CA 3.28Å; I55-W67 HydrophobicContact CB-CB 4.41Å; I55-W67 PolarHBondContact N-O 2.83Å; I55-W67 VanDerWaalsContact O-CD1 3.31Å; I55-W67 PolarHBondContact O-N 3.44Å; I55-I69 HydrophobicContact CB-CD1 4.36Å; I55-I69 HydrophobicContact CB-CG1 4.16Å; I55-I69 HydrophobicContact CG1-CD1 3.94Å; I55-I69 HydrophobicContact CG1-CG1 3.43Å; I55-I69 VanDerWaalsContact CG1-CG1 3.43Å
56L97.9Very high96.5Very high0 Ų029 Ų290%015%0.153CC..EExtended strand (participates in β ladder)trans-92138.8168.1-177.1152.4000108.7L46 D47 I64 R65 A93 F95 F103L46-L56 VanDerWaalsContact CA-O 3.29Å; L46-L56 WeakPolarHBondContact CA-O 3.35Å; L46-L56 WeakPolarHBondContact CD2-O 3.3Å; D47-L56 HydrophobicContact CB-CB 4.33Å; D47-L56 PolarHBondContact N-O 3.32Å; D47-L56 PolarHBondContact O-N 2.92Å; L56-I64 HydrophobicContact CD1-CG2 4.03Å; L56-I64 HydrophobicContact CD2-CG2 3.94Å; L56-I64 HydrophobicContact CG-CG2 3.88Å; L56-R65 CarbonylContact C-O 3.55Å; L56-R65 WeakPolarHBondContact CA-O 3.33Å; L56-A93 HydrophobicContact CD2-CB 3.35Å; L56-F95 HydrophobicContact CB-CD2 4.14Å; L56-F95 HydrophobicContact CB-CE1 4.29Å; L56-F95 HydrophobicContact CB-CE2 3.5Å; L56-F95 HydrophobicContact CB-CZ 3.6Å; L56-F95 HydrophobicContact CD1-CD1 4.46Å; L56-F95 HydrophobicContact CD1-CE1 4.38Å; L56-F95 HydrophobicContact CD1-CZ 4.49Å; L56-F103 HydrophobicContact CD1-CB 3.49Å; L56-F103 VanDerWaalsContact CD1-CB 3.49Å; L56-F103 HydrophobicContact CD1-CD1 4.49Å; L56-F103 HydrophobicContact CD1-CD2 4.03Å; L56-F103 HydrophobicContact CD1-CG 3.76Å
57S98.4Very high96.4Very high0 Ų029.8 Ų29.80%016%0.156CC..EExtended strand (participates in β ladder)trans-127.8139.9169.868.30000112.1H39 I64 R65 W67H39-S57 PolarHBondContact NE2-OG 2.92Å; S57-I64 CarbonylContact O-C 3.36Å; S57-I64 VanDerWaalsContact O-CA 3.32Å; S57-I64 WeakPolarHBondContact O-CA 3.29Å; S57-R65 PolarHBondContact N-O 3.06Å; S57-R65 PolarHBondContact O-N 2.78Å; S57-W67 PolarHBondContact OG-NE1 3.46Å
58A98.4Very high96.1Very high0 Ų031.6 Ų31.60%016%0.163CC..EExtended strand (participates in β ladder)trans-122.9149.417500000110.8V43 T44 D45 I64 I90 A93V43-A58 CarbonylContact C-O 3.5Å; V43-A58 WeakPolarHBondContact CA-O 3.36Å; T44-A58 PolarHBondContact N-O 2.68Å; T44-A58 PolarHBondContact OG1-O 2.9Å; D45-A58 HydrophobicContact CB-CB 4.2Å; D45-A58 PolarHBondContact N-O 3.25Å; D45-A58 PolarHBondContact O-N 2.8Å; A58-I64 HydrophobicContact CB-CG1 4.46Å; A58-I90 HydrophobicContact CB-CB 4.3Å; A58-I90 HydrophobicContact CB-CG2 3.66Å; A58-A93 HydrophobicContact CB-CB 3.68Å
59S98.7Very high95.7Very high0 Ų030.4 Ų30.40%015%0.153CC..EExtended strand (participates in β ladder)trans-147.6156.7-178.1178.60000113.3H39 R41 P42 D61 S62 F63 I90H39-S59 WeakPolarHBondContact ND1-CB 3.35Å; R41-S59 PolarHBondContact O-OG 3.07Å; R41-S59 VanDerWaalsContact O-OG 3.07Å; P42-S59 VanDerWaalsContact O-CA 3.28Å; P42-S59 WeakPolarHBondContact O-CA 3.22Å; P42-S59 VanDerWaalsContact O-CB 3.26Å; P42-S59 WeakPolarHBondContact O-CB 3.45Å; P42-S59 PolarHBondContact O-OG 3.49Å; S59-D61 VanDerWaalsContact CB-OD1 3.3Å; S59-D61 WeakPolarHBondContact CB-OD1 3.46Å; S59-D61 PolarHBondContact O-N 2.96Å; S59-D61 VanDerWaalsContact O-N 3.11Å; S59-D61 PolarHBondContact OG-N 2.92Å; S59-D61 PolarHBondContact OG-OD1 2.84Å; S59-S62 PolarHBondContact O-N 2.81Å; S59-F63 PolarHBondContact N-O 2.59Å; S59-I90 CarbonylContact C-O 3.48Å; S59-I90 WeakPolarHBondContact O-CB 3.29Å; S59-I90 PolarHBondContact O-N 2.86Å
60E98.2Very high95Very high62 Ų6231.5 Ų31.529%0.2917%0.167SC..THydrogen-bonded Turntrans-63.4-7.6168.3-58.7-171.6167.600113.8R41 P42 T44 S62 P89R41-E60 HydrophobicContact CB-CB 4.15Å; R41-E60 IonicContact CZ-OE2 3.53Å; R41-E60 IonicContact NE-OE2 3.64Å; R41-E60 PolarHBondContact NH1-O 3.02Å; R41-E60 IonicContact NH2-OE2 2.74Å; R41-E60 PolarHBondContact NH2-OE2 3.42Å; P42-E60 PolarHBondContact O-N 2.98Å; T44-E60 HydrophobicContact CG2-CG 3.55Å; E60-S62 PolarHBondContact O-N 2.86Å; E60-P89 HydrophobicContact CB-CB 4.26Å
61D98.4Very high94.1Very high20 Ų2030.6 Ų30.611%0.10717%0.166CC..THydrogen-bonded Turntrans-74.25.1170.570.89.4000114H39 S40 R41 S59 F63H39-D61 WeakPolarHBondContact CA-OD2 3.39Å; H39-D61 VanDerWaalsContact CB-OD2 3.25Å; H39-D61 WeakPolarHBondContact CB-OD2 3.24Å; H39-D61 IonicContact CE1-OD1 3.54Å; H39-D61 IonicContact CG-OD2 3.91Å; H39-D61 IonicContact ND1-OD1 3.07Å; H39-D61 PolarHBondContact ND1-OD1 2.96Å; H39-D61 IonicContact ND1-OD2 3.07Å; H39-D61 PolarHBondContact ND1-OD2 3.11Å; S40-D61 PolarHBondContact N-OD2 3.27Å; S40-D61 VanDerWaalsContact OG-CB 3.3Å; S40-D61 WeakPolarHBondContact OG-CB 3.21Å; S40-D61 PolarHBondContact OG-OD2 2.99Å; R41-D61 HydrophobicContact CB-CB 3.86Å; R41-D61 HydrophobicContact CG-CB 3.98Å; S59-D61 VanDerWaalsContact CB-OD1 3.3Å; S59-D61 WeakPolarHBondContact CB-OD1 3.46Å; S59-D61 PolarHBondContact O-N 2.96Å; S59-D61 VanDerWaalsContact O-N 3.11Å; S59-D61 PolarHBondContact OG-N 2.92Å; S59-D61 PolarHBondContact OG-OD1 2.84Å; D61-F63 VanDerWaalsContact C-N 3.25Å; D61-F63 VanDerWaalsContact O-CD2 3.24Å; D61-F63 WeakPolarHBondContact O-CD2 3.47Å; D61-F63 PolarHBondContact O-N 3.22Å; D61-F63 WeakPolarHBondContact OD1-CB 3.5Å; D61-F63 PolarHBondContact OD1-N 2.96Å
62S97.9Very high92.8Very high16 Ų1627.2 Ų27.211%0.11214%0.142CC..SBendtrans75.73.5-179.8-58.60000115.4S59 E60 S84 I85 V88S59-S62 PolarHBondContact O-N 2.81Å; E60-S62 PolarHBondContact O-N 2.86Å; S62-S84 WeakPolarHBondContact O-CA 3.3Å; S62-S84 VanDerWaalsContact O-CB 3.29Å; S62-S84 WeakPolarHBondContact O-CB 3.28Å; S62-I85 WeakPolarHBondContact CB-O 3.38Å; S62-I85 PolarHBondContact O-N 3.11Å; S62-V88 VanDerWaalsContact CA-O 3.23Å; S62-V88 WeakPolarHBondContact CA-O 3.34Å; S62-V88 VanDerWaalsContact CB-O 3.23Å; S62-V88 WeakPolarHBondContact CB-O 3.34Å; S62-V88 VanDerWaalsContact OG-C 3.25Å; S62-V88 PolarHBondContact OG-N 2.9Å; S62-V88 PolarHBondContact OG-O 3.43Å
63F98.1Very high91.5Very high70 Ų7036.3 Ų36.331%0.30717%0.172SC..EExtended strand (participates in β ladder)trans-97.8145.2177.1-70.1-98.6000112.6H39 S59 D61 T83H39-F63 PolarHBondContact CE1-O 2.97Å; S59-F63 PolarHBondContact N-O 2.59Å; D61-F63 VanDerWaalsContact C-N 3.25Å; D61-F63 VanDerWaalsContact O-CD2 3.24Å; D61-F63 WeakPolarHBondContact O-CD2 3.47Å; D61-F63 PolarHBondContact O-N 3.22Å; D61-F63 WeakPolarHBondContact OD1-CB 3.5Å; D61-F63 PolarHBondContact OD1-N 2.96Å; F63-T83 VanDerWaalsContact CA-O 3.3Å; F63-T83 WeakPolarHBondContact CA-O 3.32Å; F63-T83 WeakPolarHBondContact CD1-O 3.26Å
64I97.9Very high90.4Very high0 Ų038.6 Ų38.60%019%0.185CC..EExtended strand (participates in β ladder)trans-115.1131.1160.2-56.698.9000107.3L56 S57 A58 T83 I85 I90 F103 A105 F116L56-I64 HydrophobicContact CD1-CG2 4.03Å; L56-I64 HydrophobicContact CD2-CG2 3.94Å; L56-I64 HydrophobicContact CG-CG2 3.88Å; S57-I64 CarbonylContact O-C 3.36Å; S57-I64 VanDerWaalsContact O-CA 3.32Å; S57-I64 WeakPolarHBondContact O-CA 3.29Å; A58-I64 HydrophobicContact CB-CG1 4.46Å; I64-T83 HydrophobicContact CB-CG2 4.26Å; I64-T83 HydrophobicContact CD1-CG2 4.42Å; I64-T83 PolarHBondContact N-O 3.07Å; I64-T83 PolarHBondContact O-N 3.19Å; I64-T83 VanDerWaalsContact O-O 3.14Å; I64-I85 HydrophobicContact CD1-CD1 4.45Å; I64-I85 HydrophobicContact CD1-CG1 4.41Å; I64-I90 HydrophobicContact CD1-CD1 4.03Å; I64-I90 HydrophobicContact CD1-CG1 3.85Å; I64-I90 HydrophobicContact CD1-CG2 4.4Å; I64-I90 HydrophobicContact CG1-CG1 4.26Å; I64-I90 HydrophobicContact CG1-CG2 4.19Å; I64-F103 HydrophobicContact CB-CE2 4.17Å; I64-F103 HydrophobicContact CG2-CD2 4.02Å; I64-F103 HydrophobicContact CG2-CE2 3.82Å; I64-A105 HydrophobicContact CD1-CB 3.88Å; I64-A105 HydrophobicContact CG1-CB 4.1Å; I64-F116 HydrophobicContact CD1-CE2 4.45Å
65R97.7Very high89.2Confident65 Ų6539.4 Ų39.425%0.24520%0.2CC..EExtended strand (participates in β ladder)trans-125.8148.2-179.7-65.5-179177.6-150.23.7110.8A38 L56 S57 W67 F81A38-R65 PolarHBondContact O-NH1 2.77Å; L56-R65 CarbonylContact C-O 3.55Å; L56-R65 WeakPolarHBondContact CA-O 3.33Å; S57-R65 PolarHBondContact N-O 3.06Å; S57-R65 PolarHBondContact O-N 2.78Å; R65-W67 HydrophobicContact CB-CZ2 3.99Å; R65-W67 HydrophobicContact CG-CZ2 4.44Å; R65-F81 CarbonylContact C-O 3.55Å; R65-F81 WeakPolarHBondContact CA-O 3.47Å
66I96.7Very high88Confident0 Ų045.9 Ų45.90%023%0.23CC..EExtended strand (participates in β ladder)trans-116.2130.6172-56.6175.1000107.5Q54 I55 C79 S80 F81 F95 F103Q54-I66 HydrophobicContact CB-CG2 3.9Å; Q54-I66 HydrophobicContact CG-CG2 3.85Å; I55-I66 CarbonylContact O-C 3.58Å; I55-I66 WeakPolarHBondContact O-CA 3.28Å; I66-C79 CarbonylContact O-C 3.6Å; I66-S80 PolarHBondContact O-N 2.84Å; I66-S80 PolarHBondContact O-OG 3.05Å; I66-F81 HydrophobicContact CB-CB 4.14Å; I66-F81 HydrophobicContact CD1-CB 4.36Å; I66-F81 HydrophobicContact CD1-CD1 4.07Å; I66-F81 HydrophobicContact CG1-CB 4.44Å; I66-F81 HydrophobicContact CG1-CD1 4.29Å; I66-F81 PolarHBondContact N-O 3Å; I66-F81 PolarHBondContact O-N 2.8Å; I66-F95 HydrophobicContact CD1-CE1 4.19Å; I66-F95 HydrophobicContact CG1-CE1 4.5Å; I66-F95 HydrophobicContact CG2-CZ 4.31Å; I66-F103 HydrophobicContact CD1-CD1 3.95Å; I66-F103 HydrophobicContact CD1-CE1 3.99Å
67W95.9Very high87.3Confident15 Ų1547.7 Ų47.76%0.05724%0.241CC..EExtended strand (participates in β ladder)trans-114.1124.7-178.3-52.189.9000108.1I36 A38 Q54 I55 S57 R65 I69 N78 C79I36-W67 HydrophobicContact CD1-CD2 4.48Å; I36-W67 HydrophobicContact CD1-CE3 4.24Å; I36-W67 HydrophobicContact CG2-CE3 4.09Å; I36-W67 HydrophobicContact CG2-CH2 3.63Å; I36-W67 HydrophobicContact CG2-CZ2 4.24Å; I36-W67 HydrophobicContact CG2-CZ3 3.53Å; A38-W67 HydrophobicContact CB-CH2 4.12Å; A38-W67 HydrophobicContact CB-CZ2 3.54Å; Q54-W67 CarbonylContact C-O 3.52Å; Q54-W67 VanDerWaalsContact CA-O 3.25Å; Q54-W67 WeakPolarHBondContact CA-O 3.41Å; I55-W67 HydrophobicContact CB-CB 4.41Å; I55-W67 PolarHBondContact N-O 2.83Å; I55-W67 VanDerWaalsContact O-CD1 3.31Å; I55-W67 PolarHBondContact O-N 3.44Å; S57-W67 PolarHBondContact OG-NE1 3.46Å; R65-W67 HydrophobicContact CB-CZ2 3.99Å; R65-W67 HydrophobicContact CG-CZ2 4.44Å; W67-I69 HydrophobicContact CB-CD1 4.12Å; W67-N78 WeakPolarHBondContact CA-O 3.5Å; W67-C79 HydrophobicContact CD2-CB 4.44Å; W67-C79 HydrophobicContact CE3-CB 3.75Å; W67-C79 HydrophobicContact CH2-CB 4Å; W67-C79 HydrophobicContact CZ3-CB 3.51Å
68H92.7Very high87Confident83 Ų8352.9 Ų52.938%0.38427%0.269SS..EExtended strand (participates in β ladder)trans-82.5124.6168.6-169.462.3000109T52 D53 N78T52-H68 PolarHBondContact O-CE1 2.94Å; T52-H68 PolarHBondContact O-ND1 2.89Å; D53-H68 PolarHBondContact O-ND1 2.78Å; D53-H68 VanDerWaalsContact O-ND1 3.12Å; H68-N78 PolarHBondContact N-O 3.36Å; H68-N78 PolarHBondContact O-N 3.29Å
69I88.6Confident86.7Confident1 Ų154.7 Ų54.71%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-101.789.7-178.8-56.1-50.8000106.8Y9 M12 F14 D53 I55 W67 V72 T77Y9-I69 HydrophobicContact CD1-CG2 4.27Å; Y9-I69 HydrophobicContact CE1-CB 4.32Å; Y9-I69 HydrophobicContact CE1-CG2 3.7Å; M12-I69 HydrophobicContact CE-CG2 4.27Å; F14-I69 HydrophobicContact CE1-CD1 3.92Å; F14-I69 HydrophobicContact CE1-CG1 4.39Å; F14-I69 HydrophobicContact CZ-CD1 4.06Å; F14-I69 HydrophobicContact CZ-CG1 4.12Å; F14-I69 HydrophobicContact CZ-CG2 3.95Å; D53-I69 WeakPolarHBondContact CB-O 3.34Å; D53-I69 PolarHBondContact O-N 3.29Å; I55-I69 HydrophobicContact CB-CD1 4.36Å; I55-I69 HydrophobicContact CB-CG1 4.16Å; I55-I69 HydrophobicContact CG1-CD1 3.94Å; I55-I69 HydrophobicContact CG1-CG1 3.43Å; I55-I69 VanDerWaalsContact CG1-CG1 3.43Å; W67-I69 HydrophobicContact CB-CD1 4.12Å; I69-V72 HydrophobicContact CG2-CG2 3.17Å; I69-T77 HydrophobicContact CD1-CG2 3.74Å
70G79Confident86.4Confident34 Ų3457.6 Ų57.635%0.35130%0.301SS..  trans-73.7-142174.800000111.2V72G70-V72 PolarHBondContact O-N 2.84Å
71N73.3Confident86.2Confident91 Ų9157.4 Ų57.449%0.48730%0.299SS..  trans-6996.2169.2-1708.2000109.6R73 D74N71-R73 PolarHBondContact O-N 2.88Å; N71-R73 VanDerWaalsContact O-N 3.12Å; N71-R73 WeakPolarHBondContact OD1-CB 3.18Å; N71-R73 PolarHBondContact OD1-N 3.14Å; N71-D74 WeakPolarHBondContact CB-OD2 3.22Å; N71-D74 PolarHBondContact ND2-OD2 2.83Å; N71-D74 WeakPolarHBondContact O-CB 3.29Å; N71-D74 PolarHBondContact O-N 3.02Å
72V64Low86.1Confident8 Ų859 Ų595%0.04831%0.313CS..G310 helixtrans-58.6-26.3179.71790000112M12 V33 L34 I69 G70 D74 G75M12-V72 HydrophobicContact CE-CB 3.99Å; M12-V72 HydrophobicContact CE-CG2 3.45Å; M12-V72 VanDerWaalsContact CE-CG2 3.45Å; M12-V72 HydrophobicContact SD-CB 3.51Å; M12-V72 VanDerWaalsContact SD-CB 3.51Å; M12-V72 HydrophobicContact SD-CG1 3.57Å; M12-V72 VanDerWaalsContact SD-CG1 3.57Å; M12-V72 HydrophobicContact SD-CG2 3.59Å; M12-V72 VanDerWaalsContact SD-CG2 3.59Å; V33-V72 HydrophobicContact CB-CG1 4.21Å; V33-V72 HydrophobicContact CG2-CG1 3.73Å; L34-V72 HydrophobicContact CB-CG1 4.2Å; L34-V72 HydrophobicContact CD2-CG1 4.42Å; I69-V72 HydrophobicContact CG2-CG2 3.17Å; G70-V72 PolarHBondContact O-N 2.84Å; V72-D74 PolarHBondContact O-N 2.73Å; V72-G75 WeakPolarHBondContact O-CA 3.38Å; V72-G75 PolarHBondContact O-N 3.49Å
73R64.7Low85.9Confident222 Ų22259.9 Ų59.984%0.83832%0.317SS*.G310 helixtrans-62.2-23.4175.2-65.3-174.2168.4-175.1-2.6113.2N71 G75N71-R73 PolarHBondContact O-N 2.88Å; N71-R73 VanDerWaalsContact O-N 3.12Å; N71-R73 WeakPolarHBondContact OD1-CB 3.18Å; N71-R73 PolarHBondContact OD1-N 3.14Å; R73-G75 VanDerWaalsContact C-N 3.26Å
74D71.6Confident85.8Confident98 Ų9859.3 Ų59.352%0.52432%0.322SS..G310 helixtrans-87.93.4173.7-60-36.7000112N71 V72 Q76N71-D74 WeakPolarHBondContact CB-OD2 3.22Å; N71-D74 PolarHBondContact ND2-OD2 2.83Å; N71-D74 WeakPolarHBondContact O-CB 3.29Å; N71-D74 PolarHBondContact O-N 3.02Å; V72-D74 PolarHBondContact O-N 2.73Å; D74-Q76 HydrophobicContact CB-CB 4.5Å; D74-Q76 HydrophobicContact CB-CG 3.96Å; D74-Q76 PolarHBondContact O-N 3.31Å; D74-Q76 VanDerWaalsContact O-N 3.12Å
75G69Low85.7Confident42 Ų4260.5 Ų60.543%0.43333%0.328SS..THydrogen-bonded Turntrans63.511.9-174.100000113.3V72 R73 T77V72-G75 WeakPolarHBondContact O-CA 3.38Å; V72-G75 PolarHBondContact O-N 3.49Å; R73-G75 VanDerWaalsContact C-N 3.26Å; G75-T77 PolarHBondContact O-N 3.13Å
76Q71.6Confident85.5Confident136 Ų13661.2 Ų61.264%0.63635%0.347SS*.  trans-84.5104.6-172.8-69.2-170.823.100110.6D74D74-Q76 HydrophobicContact CB-CB 4.5Å; D74-Q76 HydrophobicContact CB-CG 3.96Å; D74-Q76 PolarHBondContact O-N 3.31Å; D74-Q76 VanDerWaalsContact O-N 3.12Å
77T83.7Confident85.4Confident38 Ų3868.3 Ų68.323%0.23339%0.386CS..EExtended strand (participates in β ladder)trans-128.3140.616559.40000110L34 I36 I69 G75L34-T77 HydrophobicContact CD1-CG2 3.9Å; L34-T77 HydrophobicContact CD2-CG2 3.37Å; L34-T77 HydrophobicContact CG-CG2 4.27Å; I36-T77 HydrophobicContact CD1-CG2 4.18Å; I36-T77 WeakPolarHBondContact CD1-OG1 3.4Å; I69-T77 HydrophobicContact CD1-CG2 3.74Å; G75-T77 PolarHBondContact O-N 3.13Å
78N90.7Very high85.5Confident109 Ų10967.8 Ų67.858%0.58338%0.384SS*.EExtended strand (participates in β ladder)trans-130.5139.1176.7-179.8-84.2000110.1W67 H68 S80W67-N78 WeakPolarHBondContact CA-O 3.5Å; H68-N78 PolarHBondContact N-O 3.36Å; H68-N78 PolarHBondContact O-N 3.29Å; N78-S80 PolarHBondContact O-N 3.24Å; N78-S80 VanDerWaalsContact O-N 3.13Å
79C93.4Very high85.7Confident39 Ų3965.5 Ų65.526%0.26438%0.377SS..EExtended strand (participates in β ladder)trans-74.496169.3-172.10000108.7I66 W67 F81I66-C79 CarbonylContact O-C 3.6Å; W67-C79 HydrophobicContact CD2-CB 4.44Å; W67-C79 HydrophobicContact CE3-CB 3.75Å; W67-C79 HydrophobicContact CH2-CB 4Å; W67-C79 HydrophobicContact CZ3-CB 3.51Å; C79-F81 VanDerWaalsContact C-N 3.33Å; C79-F81 PolarHBondContact SG-O 2.87Å; C79-F81 VanDerWaalsContact SG-O 3.39Å
80S91.7Very high86.2Confident60 Ų6065.5 Ų65.542%0.4238%0.376SS..EExtended strand (participates in β ladder)trans-74.6-26.9-177.9590000112.3I66 N78I66-S80 PolarHBondContact O-N 2.84Å; I66-S80 PolarHBondContact O-OG 3.05Å; N78-S80 PolarHBondContact O-N 3.24Å; N78-S80 VanDerWaalsContact O-N 3.13Å
81F93.7Very high87.1Confident58 Ų5866.6 Ų66.625%0.25438%0.376SS..EExtended strand (participates in β ladder)trans-150.9146.8-179.7-179.8-94.9000111.9R65 I66 C79 T83 F103 Q118R65-F81 CarbonylContact C-O 3.55Å; R65-F81 WeakPolarHBondContact CA-O 3.47Å; I66-F81 HydrophobicContact CB-CB 4.14Å; I66-F81 HydrophobicContact CD1-CB 4.36Å; I66-F81 HydrophobicContact CD1-CD1 4.07Å; I66-F81 HydrophobicContact CG1-CB 4.44Å; I66-F81 HydrophobicContact CG1-CD1 4.29Å; I66-F81 PolarHBondContact N-O 3Å; I66-F81 PolarHBondContact O-N 2.8Å; C79-F81 VanDerWaalsContact C-N 3.33Å; C79-F81 PolarHBondContact SG-O 2.87Å; C79-F81 VanDerWaalsContact SG-O 3.39Å; F81-T83 HydrophobicContact CE1-CG2 3.72Å; F81-T83 HydrophobicContact CZ-CG2 4.26Å; F81-F103 HydrophobicContact CD1-CE1 4.26Å; F81-F103 HydrophobicContact CD1-CZ 4.37Å; F81-F103 AromaticContact CE1-CE1 3.76Å; F81-F103 HydrophobicContact CE1-CE1 3.76Å; F81-F103 AromaticContact CE1-CZ 3.61Å; F81-F103 HydrophobicContact CE1-CZ 3.61Å; F81-F103 HydrophobicContact CZ-CE1 4.47Å; F81-F103 HydrophobicContact CZ-CZ 4.38Å; F81-Q118 HydrophobicContact CD2-CG 4.08Å; F81-Q118 HydrophobicContact CE2-CG 3.97Å; F81-Q118 HydrophobicContact CZ-CG 4.33Å
82S95.6Very high88.2Confident55 Ų5562.8 Ų62.839%0.38536%0.358SS..EExtended strand (participates in β ladder)trans-146.5129.7176.6178.10000109
83T95.6Very high89.8Confident34 Ų3462.7 Ų62.721%0.20936%0.358CS..EExtended strand (participates in β ladder)trans-135.8166.1171.6-166.30000110F63 I64 F81 F103 F116F63-T83 VanDerWaalsContact CA-O 3.3Å; F63-T83 WeakPolarHBondContact CA-O 3.32Å; F63-T83 WeakPolarHBondContact CD1-O 3.26Å; I64-T83 HydrophobicContact CB-CG2 4.26Å; I64-T83 HydrophobicContact CD1-CG2 4.42Å; I64-T83 PolarHBondContact N-O 3.07Å; I64-T83 PolarHBondContact O-N 3.19Å; I64-T83 VanDerWaalsContact O-O 3.14Å; F81-T83 HydrophobicContact CE1-CG2 3.72Å; F81-T83 HydrophobicContact CZ-CG2 4.26Å; T83-F103 HydrophobicContact CG2-CE2 4.06Å; T83-F103 HydrophobicContact CG2-CZ 3.78Å; T83-F116 HydrophobicContact CG2-CD1 4.14Å; T83-F116 HydrophobicContact CG2-CE1 3.99Å; T83-F116 HydrophobicContact CG2-CZ 4.39Å
84S95.4Very high91.4Very high57 Ų5754.7 Ų54.740%0.39934%0.336SS..EExtended strand (participates in β ladder)trans-144.9153.817862.40000112.1S62S62-S84 WeakPolarHBondContact O-CA 3.3Å; S62-S84 VanDerWaalsContact O-CB 3.29Å; S62-S84 WeakPolarHBondContact O-CB 3.28Å
85I95.1Very high92.6Very high26 Ų2651.3 Ų51.313%0.13332%0.316CS..  trans-113.5108.4171.1-44.5-179.4000107.4S62 I64 N87 V88 I90 F114 F116S62-I85 WeakPolarHBondContact CB-O 3.38Å; S62-I85 PolarHBondContact O-N 3.11Å; I64-I85 HydrophobicContact CD1-CD1 4.45Å; I64-I85 HydrophobicContact CD1-CG1 4.41Å; I85-N87 PolarHBondContact O-N 2.71Å; I85-N87 VanDerWaalsContact O-N 3.16Å; I85-V88 HydrophobicContact CB-CB 3.97Å; I85-V88 HydrophobicContact CB-CG2 3.98Å; I85-V88 HydrophobicContact CG2-CB 3.98Å; I85-V88 HydrophobicContact CG2-CG2 3.42Å; I85-V88 VanDerWaalsContact CG2-CG2 3.42Å; I85-V88 PolarHBondContact O-N 3.07Å; I85-I90 HydrophobicContact CB-CD1 4.34Å; I85-I90 HydrophobicContact CD1-CD1 3.85Å; I85-I90 HydrophobicContact CG1-CD1 4.17Å; I85-F114 HydrophobicContact CD1-CB 3.58Å; I85-F114 HydrophobicContact CD1-CD1 3.67Å; I85-F114 HydrophobicContact CD1-CD2 3.44Å; I85-F114 VanDerWaalsContact CD1-CD2 3.44Å; I85-F114 HydrophobicContact CD1-CE1 4.14Å; I85-F114 HydrophobicContact CD1-CE2 3.95Å; I85-F114 HydrophobicContact CD1-CG 3.27Å; I85-F114 HydrophobicContact CD1-CZ 4.26Å; I85-F114 HydrophobicContact CG2-CD1 4.34Å; I85-F114 HydrophobicContact CG2-CE1 3.97Å; I85-F114 HydrophobicContact CG2-CZ 4.18Å; I85-F116 HydrophobicContact CD1-CE2 4Å; I85-F116 HydrophobicContact CD1-CZ 3.66Å; I85-F116 HydrophobicContact CG1-CE2 4.49Å; I85-F116 HydrophobicContact CG1-CZ 3.73Å
86A94.3Very high93.9Very high79 Ų7951.5 Ų51.565%0.65331%0.314SS*.THydrogen-bonded Turntrans-53.1123.2-169.800000112.1V88A86-V88 VanDerWaalsContact C-N 3.26Å; A86-V88 PolarHBondContact O-N 3.4Å
87N94.3Very high95Very high150 Ų15047.1 Ų47.180%0.80230%0.295SS*.THydrogen-bonded Turntrans61.624.2178.5-51.4-50.2000115.4I85I85-N87 PolarHBondContact O-N 2.71Å; I85-N87 VanDerWaalsContact O-N 3.16Å
88V97.2Very high95.4Very high3 Ų353.9 Ų53.92%0.01832%0.321CS..  trans-108.4111.5174.3-176.10000109.1S62 I85 A86 I90 Y110 F114S62-V88 VanDerWaalsContact CA-O 3.23Å; S62-V88 WeakPolarHBondContact CA-O 3.34Å; S62-V88 VanDerWaalsContact CB-O 3.23Å; S62-V88 WeakPolarHBondContact CB-O 3.34Å; S62-V88 VanDerWaalsContact OG-C 3.25Å; S62-V88 PolarHBondContact OG-N 2.9Å; S62-V88 PolarHBondContact OG-O 3.43Å; I85-V88 HydrophobicContact CB-CB 3.97Å; I85-V88 HydrophobicContact CB-CG2 3.98Å; I85-V88 HydrophobicContact CG2-CB 3.98Å; I85-V88 HydrophobicContact CG2-CG2 3.42Å; I85-V88 VanDerWaalsContact CG2-CG2 3.42Å; I85-V88 PolarHBondContact O-N 3.07Å; A86-V88 VanDerWaalsContact C-N 3.26Å; A86-V88 PolarHBondContact O-N 3.4Å; V88-I90 HydrophobicContact CB-CD1 4.21Å; V88-I90 HydrophobicContact CG1-CD1 3.91Å; V88-I90 PolarHBondContact O-N 3.31Å; V88-I90 VanDerWaalsContact O-N 3.13Å; V88-Y110 HydrophobicContact CB-CE2 4.31Å; V88-Y110 HydrophobicContact CG1-CD2 3.89Å; V88-Y110 HydrophobicContact CG1-CE2 3.73Å; V88-Y110 HydrophobicContact CG1-CG 4.47Å; V88-Y110 HydrophobicContact CG2-CE1 4.1Å; V88-Y110 HydrophobicContact CG2-CE2 4.02Å; V88-F114 HydrophobicContact CG1-CE2 3.99Å; V88-F114 HydrophobicContact CG1-CZ 4.27Å; V88-F114 HydrophobicContact CG2-CZ 4.34Å
89P97.9Very high95.5Very high36 Ų3653.5 Ų53.523%0.23432%0.319CS..  trans-65.9112.2170.2-16.230.2000108.6E60 G107 Y108E60-P89 HydrophobicContact CB-CB 4.26Å; P89-G107 CarbonylContact O-C 3.56Å; P89-G107 WeakPolarHBondContact O-CA 3.48Å; P89-Y108 PolarHBondContact O-N 3.5Å
90I98.2Very high95.3Very high0 Ų051.7 Ų51.70%031%0.307CS..EExtended strand (participates in β ladder)trans-77.3128.5-179.8-47.7-56.3000108.6T44 A58 S59 I64 I85 V88 G92 A105 S106T44-I90 WeakPolarHBondContact CB-O 3.46Å; T44-I90 WeakPolarHBondContact CG2-O 3.33Å; T44-I90 PolarHBondContact OG1-O 3.39Å; A58-I90 HydrophobicContact CB-CB 4.3Å; A58-I90 HydrophobicContact CB-CG2 3.66Å; S59-I90 CarbonylContact C-O 3.48Å; S59-I90 WeakPolarHBondContact O-CB 3.29Å; S59-I90 PolarHBondContact O-N 2.86Å; I64-I90 HydrophobicContact CD1-CD1 4.03Å; I64-I90 HydrophobicContact CD1-CG1 3.85Å; I64-I90 HydrophobicContact CD1-CG2 4.4Å; I64-I90 HydrophobicContact CG1-CG1 4.26Å; I64-I90 HydrophobicContact CG1-CG2 4.19Å; I85-I90 HydrophobicContact CB-CD1 4.34Å; I85-I90 HydrophobicContact CD1-CD1 3.85Å; I85-I90 HydrophobicContact CG1-CD1 4.17Å; V88-I90 HydrophobicContact CB-CD1 4.21Å; V88-I90 HydrophobicContact CG1-CD1 3.91Å; V88-I90 PolarHBondContact O-N 3.31Å; V88-I90 VanDerWaalsContact O-N 3.13Å; I90-G92 WeakPolarHBondContact CG2-O 3.3Å; I90-A105 HydrophobicContact CG2-CB 4.08Å; I90-S106 WeakPolarHBondContact CA-O 3.45Å; I90-S106 WeakPolarHBondContact CG2-O 3.43Å
91V97.8Very high95.4Very high58 Ų5850.3 Ų50.335%0.35230%0.297SS..EExtended strand (participates in β ladder)trans-113.6-16.9-176.5-64.40000113.5S106 Y108V91-S106 PolarHBondContact N-O 3.28Å; V91-Y108 HydrophobicContact CG1-CD2 4.24Å; V91-Y108 HydrophobicContact CG1-CG 4.48Å
92G97.6Very high95.5Very high10 Ų1047.5 Ų47.510%0.10329%0.285CS..EExtended strand (participates in β ladder)trans-153.8149.317800000110.8D45 I90 A105 S106D45-G92 WeakPolarHBondContact OD2-CA 3.07Å; I90-G92 WeakPolarHBondContact CG2-O 3.3Å; G92-A105 CarbonylContact O-C 3.54Å; G92-A105 WeakPolarHBondContact O-CA 3.41Å; G92-S106 WeakPolarHBondContact CA-OG 3.23Å; G92-S106 PolarHBondContact N-OG 3.49Å; G92-S106 PolarHBondContact O-N 3.13Å; G92-S106 PolarHBondContact O-OG 2.86Å
93A97.8Very high95.5Very high6 Ų644.9 Ų44.95%0.0527%0.267CS..EExtended strand (participates in β ladder)trans-159.8147.717100000112.1D45 L56 A58 I104 A105D45-A93 PolarHBondContact OD2-N 3.33Å; L56-A93 HydrophobicContact CD2-CB 3.35Å; A58-A93 HydrophobicContact CB-CB 3.68Å; A93-I104 CarbonylContact C-O 3.54Å; A93-I104 WeakPolarHBondContact CA-O 3.35Å; A93-I104 WeakPolarHBondContact CB-O 3.42Å; A93-A105 HydrophobicContact CB-CB 4.3Å
94C97.6Very high95.6Very high54 Ų5445.6 Ų45.637%0.36527%0.269SS..EExtended strand (participates in β ladder)trans-148.2153.8176.961.90000112.1D47 F103 I104D47-C94 VanDerWaalsContact OD2-CA 3.29Å; D47-C94 WeakPolarHBondContact OD2-CA 3.25Å; D47-C94 WeakPolarHBondContact OD2-CB 3.15Å; C94-F103 CarbonylContact O-C 3.55Å; C94-F103 WeakPolarHBondContact O-CA 3.33Å; C94-F103 VanDerWaalsContact O-CB 3.26Å; C94-F103 WeakPolarHBondContact O-CB 3.23Å; C94-I104 PolarHBondContact N-O 2.71Å; C94-I104 PolarHBondContact O-N 3.21Å
95F97.6Very high95.8Very high27 Ų2742.9 Ų42.912%0.11825%0.25CS..EExtended strand (participates in β ladder)trans-65136.7167.7-70.8-75.1000110D47 N49 Q54 L56 I66D47-F95 HydrophobicContact CB-CD2 4.16Å; D47-F95 WeakPolarHBondContact OD2-CD2 3.35Å; D47-F95 PolarHBondContact OD2-N 2.88Å; N49-F95 HydrophobicContact CB-CD1 4.47Å; N49-F95 HydrophobicContact CB-CD2 3.67Å; N49-F95 HydrophobicContact CB-CE1 4.44Å; N49-F95 HydrophobicContact CB-CE2 3.63Å; N49-F95 HydrophobicContact CB-CG 4.09Å; N49-F95 HydrophobicContact CB-CZ 4.03Å; Q54-F95 HydrophobicContact CB-CZ 3.82Å; L56-F95 HydrophobicContact CB-CD2 4.14Å; L56-F95 HydrophobicContact CB-CE1 4.29Å; L56-F95 HydrophobicContact CB-CE2 3.5Å; L56-F95 HydrophobicContact CB-CZ 3.6Å; L56-F95 HydrophobicContact CD1-CD1 4.46Å; L56-F95 HydrophobicContact CD1-CE1 4.38Å; L56-F95 HydrophobicContact CD1-CZ 4.49Å; I66-F95 HydrophobicContact CD1-CE1 4.19Å; I66-F95 HydrophobicContact CG1-CE1 4.5Å; I66-F95 HydrophobicContact CG2-CZ 4.31Å
96A96.3Very high95.9Very high46 Ų4643.3 Ų43.338%0.3826%0.255SS..SBendtrans-96.6-12.6-179.600000112.6A102 I104 Y115A96-A102 HydrophobicContact CB-CB 3.97Å; A96-A102 PolarHBondContact N-O 3.26Å; A96-I104 HydrophobicContact CB-CD1 4.01Å; A96-I104 HydrophobicContact CB-CG1 4.13Å; A96-Y115 HydrophobicContact CB-CD2 4.49Å; A96-Y115 HydrophobicContact CB-CE2 3.79Å
97N93.9Very high96.1Very high45 Ų4539.9 Ų39.924%0.24123%0.227CC..SBendtrans-149.1159.3-179.454.912.7000112N49 D99 G100 S101 A102N49-N97 PolarHBondContact ND2-O 2.88Å; N97-D99 VanDerWaalsContact C-N 3.34Å; N97-D99 PolarHBondContact ND2-OD1 3.17Å; N97-D99 PolarHBondContact OD1-OD1 2.69Å; N97-G100 PolarHBondContact O-N 2.82Å; N97-G100 PolarHBondContact OD1-N 3.06Å; N97-S101 PolarHBondContact ND2-OG 2.74Å; N97-S101 PolarHBondContact OD1-N 2.9Å; N97-S101 VanDerWaalsContact OD1-N 3.14Å; N97-A102 VanDerWaalsContact ND2-CB 3.28Å; N97-A102 WeakPolarHBondContact ND2-CB 3.29Å; N97-A102 PolarHBondContact ND2-N 3.34Å; N97-A102 PolarHBondContact OD1-N 3.1Å; N97-A102 PolarHBondContact OD1-O 3.22Å
98F91.7Very high96.2Very high179 Ų17940.4 Ų40.479%0.78522%0.219SC*.THydrogen-bonded Turntrans-68.1-32.8179.4-62-72.9000112.1N49 S51 G100N49-F98 PolarHBondContact ND2-O 2.82Å; N49-F98 PolarHBondContact OD1-O 2.99Å; S51-F98 PolarHBondContact OG-O 3.43Å; F98-G100 PolarHBondContact O-N 2.87Å; F98-G100 VanDerWaalsContact O-N 3.08Å
99D92.1Very high96.1Very high102 Ų10247.6 Ų47.655%0.54526%0.258SS..THydrogen-bonded Turntrans-73.50.8179.769.312.1000114.3T52 N97 S101T52-D99 VanDerWaalsContact CG2-C 3.48Å; T52-D99 WeakPolarHBondContact CG2-O 3.39Å; N97-D99 VanDerWaalsContact C-N 3.34Å; N97-D99 PolarHBondContact ND2-OD1 3.17Å; N97-D99 PolarHBondContact OD1-OD1 2.69Å; D99-S101 PolarHBondContact O-N 3Å; D99-S101 VanDerWaalsContact O-N 3.08Å; D99-S101 WeakPolarHBondContact OD1-CB 3.2Å; D99-S101 PolarHBondContact OD1-N 3.11Å; D99-S101 PolarHBondContact OD1-OG 3.21Å; D99-S101 PolarHBondContact OD2-OG 2.89Å
100G91.1Very high95.9Very high1 Ų151.1 Ų51.11%0.0127%0.267CS..SBendtrans67.26.617800000114.2N49 N97 F98 A102N49-G100 WeakPolarHBondContact ND2-CA 3.1Å; N49-G100 PolarHBondContact ND2-N 2.94Å; N97-G100 PolarHBondContact O-N 2.82Å; N97-G100 PolarHBondContact OD1-N 3.06Å; F98-G100 PolarHBondContact O-N 2.87Å; F98-G100 VanDerWaalsContact O-N 3.08Å; G100-A102 VanDerWaalsContact C-N 3.31Å
101S92.3Very high95.8Very high30 Ų3057.2 Ų57.221%0.2131%0.31CS..SBendtrans-80-13.6-177.769.30000112.9N97 D99 T117 Q118N97-S101 PolarHBondContact ND2-OG 2.74Å; N97-S101 PolarHBondContact OD1-N 2.9Å; N97-S101 VanDerWaalsContact OD1-N 3.14Å; D99-S101 PolarHBondContact O-N 3Å; D99-S101 VanDerWaalsContact O-N 3.08Å; D99-S101 WeakPolarHBondContact OD1-CB 3.2Å; D99-S101 PolarHBondContact OD1-N 3.11Å; D99-S101 PolarHBondContact OD1-OG 3.21Å; D99-S101 PolarHBondContact OD2-OG 2.89Å; S101-T117 CarbonylContact O-C 3.5Å; S101-T117 WeakPolarHBondContact O-CA 3.19Å; S101-Q118 PolarHBondContact O-N 2.81Å
102A95.6Very high95.6Very high0 Ų058.2 Ų58.20%032%0.316CS..EExtended strand (participates in β ladder)trans-134.4147.9179.200000112.3A96 N97 G100 Y115 F116 T117A96-A102 HydrophobicContact CB-CB 3.97Å; A96-A102 PolarHBondContact N-O 3.26Å; N97-A102 VanDerWaalsContact ND2-CB 3.28Å; N97-A102 WeakPolarHBondContact ND2-CB 3.29Å; N97-A102 PolarHBondContact ND2-N 3.34Å; N97-A102 PolarHBondContact OD1-N 3.1Å; N97-A102 PolarHBondContact OD1-O 3.22Å; G100-A102 VanDerWaalsContact C-N 3.31Å; A102-Y115 HydrophobicContact CB-CE2 4.06Å; A102-Y115 WeakPolarHBondContact CB-OH 3.14Å; A102-F116 WeakPolarHBondContact CA-O 3.26Å; A102-F116 WeakPolarHBondContact CB-O 3.27Å; A102-T117 HydrophobicContact CB-CG2 4.05Å
103F97Very high95.6Very high0 Ų063.7 Ų63.70%034%0.343CS..EExtended strand (participates in β ladder)trans-150156.3176.458.6-88.5000111.2L56 I64 I66 F81 T83 C94 F116L56-F103 HydrophobicContact CD1-CB 3.49Å; L56-F103 VanDerWaalsContact CD1-CB 3.49Å; L56-F103 HydrophobicContact CD1-CD1 4.49Å; L56-F103 HydrophobicContact CD1-CD2 4.03Å; L56-F103 HydrophobicContact CD1-CG 3.76Å; I64-F103 HydrophobicContact CB-CE2 4.17Å; I64-F103 HydrophobicContact CG2-CD2 4.02Å; I64-F103 HydrophobicContact CG2-CE2 3.82Å; I66-F103 HydrophobicContact CD1-CD1 3.95Å; I66-F103 HydrophobicContact CD1-CE1 3.99Å; F81-F103 HydrophobicContact CD1-CE1 4.26Å; F81-F103 HydrophobicContact CD1-CZ 4.37Å; F81-F103 AromaticContact CE1-CE1 3.76Å; F81-F103 HydrophobicContact CE1-CE1 3.76Å; F81-F103 AromaticContact CE1-CZ 3.61Å; F81-F103 HydrophobicContact CE1-CZ 3.61Å; F81-F103 HydrophobicContact CZ-CE1 4.47Å; F81-F103 HydrophobicContact CZ-CZ 4.38Å; T83-F103 HydrophobicContact CG2-CE2 4.06Å; T83-F103 HydrophobicContact CG2-CZ 3.78Å; C94-F103 CarbonylContact O-C 3.55Å; C94-F103 WeakPolarHBondContact O-CA 3.33Å; C94-F103 VanDerWaalsContact O-CB 3.26Å; C94-F103 WeakPolarHBondContact O-CB 3.23Å; F103-F116 HydrophobicContact CD1-CB 4.11Å; F103-F116 HydrophobicContact CD2-CB 3.95Å; F103-F116 AromaticContact CD2-CD2 3.73Å; F103-F116 HydrophobicContact CD2-CD2 3.73Å; F103-F116 HydrophobicContact CD2-CG 4.11Å; F103-F116 HydrophobicContact CE1-CB 3.65Å; F103-F116 HydrophobicContact CE1-CG 4.36Å; F103-F116 HydrophobicContact CE2-CB 3.48Å; F103-F116 VanDerWaalsContact CE2-CB 3.48Å; F103-F116 HydrophobicContact CE2-CD1 4.22Å; F103-F116 AromaticContact CE2-CD2 3.24Å; F103-F116 HydrophobicContact CE2-CD2 3.24Å; F103-F116 AromaticContact CE2-CE2 3.99Å; F103-F116 HydrophobicContact CE2-CE2 3.99Å; F103-F116 AromaticContact CE2-CG 3.37Å; F103-F116 HydrophobicContact CE2-CG 3.37Å; F103-F116 HydrophobicContact CG-CB 4.23Å; F103-F116 HydrophobicContact CZ-CB 3.28Å; F103-F116 HydrophobicContact CZ-CD1 4.11Å; F103-F116 AromaticContact CZ-CD2 3.9Å; F103-F116 HydrophobicContact CZ-CD2 3.9Å; F103-F116 AromaticContact CZ-CG 3.5Å; F103-F116 HydrophobicContact CZ-CG 3.5Å; F103-F116 PolarHBondContact N-O 2.9Å; F103-F116 VanDerWaalsContact N-O 3.11Å; F103-F116 PolarHBondContact O-N 3.26Å
104I97.9Very high95.5Very high48 Ų4865.6 Ų65.625%0.24635%0.35CS..EExtended strand (participates in β ladder)trans-113.9142.6179.6-65.4158.1000108.1A93 C94 A96 L113 F114 Y115A93-I104 CarbonylContact C-O 3.54Å; A93-I104 WeakPolarHBondContact CA-O 3.35Å; A93-I104 WeakPolarHBondContact CB-O 3.42Å; C94-I104 PolarHBondContact N-O 2.71Å; C94-I104 PolarHBondContact O-N 3.21Å; A96-I104 HydrophobicContact CB-CD1 4.01Å; A96-I104 HydrophobicContact CB-CG1 4.13Å; I104-L113 HydrophobicContact CG2-CB 4.03Å; I104-L113 HydrophobicContact CG2-CD1 4.17Å; I104-L113 HydrophobicContact CG2-CD2 4.39Å; I104-L113 HydrophobicContact CG2-CG 4.43Å; I104-F114 CarbonylContact C-O 3.59Å; I104-F114 VanDerWaalsContact CA-O 3.27Å; I104-F114 WeakPolarHBondContact CA-O 3.43Å; I104-Y115 HydrophobicContact CD1-CD2 4.4Å; I104-Y115 HydrophobicContact CG1-CD2 3.69Å; I104-Y115 HydrophobicContact CG1-CE2 4.39Å
105A98Very high95.4Very high1 Ų169.8 Ų69.81%0.00836%0.359CS..EExtended strand (participates in β ladder)trans-130.4151.617300000111.1I64 I90 G92 A93 F114 F116I64-A105 HydrophobicContact CD1-CB 3.88Å; I64-A105 HydrophobicContact CG1-CB 4.1Å; I90-A105 HydrophobicContact CG2-CB 4.08Å; G92-A105 CarbonylContact O-C 3.54Å; G92-A105 WeakPolarHBondContact O-CA 3.41Å; A93-A105 HydrophobicContact CB-CB 4.3Å; A105-F114 HydrophobicContact CB-CB 4.43Å; A105-F114 PolarHBondContact N-O 3.05Å; A105-F114 PolarHBondContact O-N 3.33Å; A105-F116 HydrophobicContact CB-CE2 4.22Å
106S98Very high95.3Very high34 Ų3470.5 Ų70.524%0.23836%0.362CS..EExtended strand (participates in β ladder)trans-122.3141.1173.661.40000110.8I90 V91 G92I90-S106 WeakPolarHBondContact CA-O 3.45Å; I90-S106 WeakPolarHBondContact CG2-O 3.43Å; V91-S106 PolarHBondContact N-O 3.28Å; G92-S106 WeakPolarHBondContact CA-OG 3.23Å; G92-S106 PolarHBondContact N-OG 3.49Å; G92-S106 PolarHBondContact O-N 3.13Å; G92-S106 PolarHBondContact O-OG 2.86Å
107G97.9Very high95.1Very high7 Ų772.2 Ų72.27%0.07237%0.368CS..EExtended strand (participates in β ladder)trans-102.1150.3179.200000112.6P89 D109 Y110P89-G107 CarbonylContact O-C 3.56Å; P89-G107 WeakPolarHBondContact O-CA 3.48Å; G107-D109 PolarHBondContact O-N 3.16Å; G107-Y110 PolarHBondContact O-N 3.44Å
108Y97.5Very high94.3Very high161 Ų16172.9 Ų72.963%0.63137%0.369SS*.THydrogen-bonded Turntrans-62.3123.4170.5-177.1-97.1000110.8P89 V91 Y110P89-Y108 PolarHBondContact O-N 3.5Å; V91-Y108 HydrophobicContact CG1-CD2 4.24Å; V91-Y108 HydrophobicContact CG1-CG 4.48Å; Y108-Y110 VanDerWaalsContact C-N 3.25Å; Y108-Y110 WeakPolarHBondContact O-CD2 3.33Å; Y108-Y110 PolarHBondContact O-N 2.85Å
109D95.3Very high93.2Very high155 Ų15572.6 Ų72.683%0.82937%0.371SS*.THydrogen-bonded Turntrans65.323-177.4-157.529000114.6G107G107-D109 PolarHBondContact O-N 3.16Å
110Y93.9Very high91.4Very high109 Ų10976.7 Ų76.743%0.42739%0.387SS..  trans-103.1132.1171.1-75-104.9000110.3V88 G107 Y108 T112 F114V88-Y110 HydrophobicContact CB-CE2 4.31Å; V88-Y110 HydrophobicContact CG1-CD2 3.89Å; V88-Y110 HydrophobicContact CG1-CE2 3.73Å; V88-Y110 HydrophobicContact CG1-CG 4.47Å; V88-Y110 HydrophobicContact CG2-CE1 4.1Å; V88-Y110 HydrophobicContact CG2-CE2 4.02Å; G107-Y110 PolarHBondContact O-N 3.44Å; Y108-Y110 VanDerWaalsContact C-N 3.25Å; Y108-Y110 WeakPolarHBondContact O-CD2 3.33Å; Y108-Y110 PolarHBondContact O-N 2.85Å; Y110-T112 VanDerWaalsContact C-N 3.3Å; Y110-F114 HydrophobicContact CD1-CE2 4.19Å; Y110-F114 AromaticContact CD1-CZ 3.64Å; Y110-F114 HydrophobicContact CD1-CZ 3.64Å; Y110-F114 HydrophobicContact CE1-CZ 4.01Å; Y110-F114 HydrophobicContact CG-CE2 4.3Å; Y110-F114 HydrophobicContact CG-CZ 4.2Å
111S94.4Very high89Confident129 Ų12985.8 Ų85.890%0.90243%0.429SS*.SBendtrans-83.3-8.1173.358.60000113.4
112T94.2Very high86.1Confident78 Ų7896.8 Ų96.848%0.47948%0.477SS..SBendtrans-110.2145.3-178.154.70000111.5Y110Y110-T112 VanDerWaalsContact C-N 3.3Å
113L97Very high85.6Confident126 Ų126101.6 Ų101.666%0.6650%0.501SS*.EExtended strand (participates in β ladder)trans-88.8148.2167.6-61.7175.8000110I104I104-L113 HydrophobicContact CG2-CB 4.03Å; I104-L113 HydrophobicContact CG2-CD1 4.17Å; I104-L113 HydrophobicContact CG2-CD2 4.39Å; I104-L113 HydrophobicContact CG2-CG 4.43Å
114F96.3Very high85Confident45 Ų45106.9 Ų106.920%0.19753%0.527CS..EExtended strand (participates in β ladder)trans-103.3126.5175-56.2-84.7000108.8I85 V88 I104 A105 Y110 F116I85-F114 HydrophobicContact CD1-CB 3.58Å; I85-F114 HydrophobicContact CD1-CD1 3.67Å; I85-F114 HydrophobicContact CD1-CD2 3.44Å; I85-F114 VanDerWaalsContact CD1-CD2 3.44Å; I85-F114 HydrophobicContact CD1-CE1 4.14Å; I85-F114 HydrophobicContact CD1-CE2 3.95Å; I85-F114 HydrophobicContact CD1-CG 3.27Å; I85-F114 HydrophobicContact CD1-CZ 4.26Å; I85-F114 HydrophobicContact CG2-CD1 4.34Å; I85-F114 HydrophobicContact CG2-CE1 3.97Å; I85-F114 HydrophobicContact CG2-CZ 4.18Å; V88-F114 HydrophobicContact CG1-CE2 3.99Å; V88-F114 HydrophobicContact CG1-CZ 4.27Å; V88-F114 HydrophobicContact CG2-CZ 4.34Å; I104-F114 CarbonylContact C-O 3.59Å; I104-F114 VanDerWaalsContact CA-O 3.27Å; I104-F114 WeakPolarHBondContact CA-O 3.43Å; A105-F114 HydrophobicContact CB-CB 4.43Å; A105-F114 PolarHBondContact N-O 3.05Å; A105-F114 PolarHBondContact O-N 3.33Å; Y110-F114 HydrophobicContact CD1-CE2 4.19Å; Y110-F114 AromaticContact CD1-CZ 3.64Å; Y110-F114 HydrophobicContact CD1-CZ 3.64Å; Y110-F114 HydrophobicContact CE1-CZ 4.01Å; Y110-F114 HydrophobicContact CG-CE2 4.3Å; Y110-F114 HydrophobicContact CG-CZ 4.2Å; F114-F116 HydrophobicContact CB-CE2 3.68Å; F114-F116 HydrophobicContact CB-CZ 4.19Å
115Y96Very high84.3Confident142 Ų142110.2 Ų110.256%0.55754%0.543SS*.EExtended strand (participates in β ladder)trans-113132.7-179.8178.8-100.6000109.8A96 A102 I104 T117A96-Y115 HydrophobicContact CB-CD2 4.49Å; A96-Y115 HydrophobicContact CB-CE2 3.79Å; A102-Y115 HydrophobicContact CB-CE2 4.06Å; A102-Y115 WeakPolarHBondContact CB-OH 3.14Å; I104-Y115 HydrophobicContact CD1-CD2 4.4Å; I104-Y115 HydrophobicContact CG1-CD2 3.69Å; I104-Y115 HydrophobicContact CG1-CE2 4.39Å; Y115-T117 HydrophobicContact CD1-CG2 4.23Å; Y115-T117 HydrophobicContact CE1-CG2 3.34Å
116F94.4Very high83.5Confident43 Ų43116.6 Ų116.619%0.18957%0.574CS.*EExtended strand (participates in β ladder)trans-123.5144.7-178-63.4-92.2000110.7I64 T83 I85 A102 F103 A105 F114I64-F116 HydrophobicContact CD1-CE2 4.45Å; T83-F116 HydrophobicContact CG2-CD1 4.14Å; T83-F116 HydrophobicContact CG2-CE1 3.99Å; T83-F116 HydrophobicContact CG2-CZ 4.39Å; I85-F116 HydrophobicContact CD1-CE2 4Å; I85-F116 HydrophobicContact CD1-CZ 3.66Å; I85-F116 HydrophobicContact CG1-CE2 4.49Å; I85-F116 HydrophobicContact CG1-CZ 3.73Å; A102-F116 WeakPolarHBondContact CA-O 3.26Å; A102-F116 WeakPolarHBondContact CB-O 3.27Å; F103-F116 HydrophobicContact CD1-CB 4.11Å; F103-F116 HydrophobicContact CD2-CB 3.95Å; F103-F116 AromaticContact CD2-CD2 3.73Å; F103-F116 HydrophobicContact CD2-CD2 3.73Å; F103-F116 HydrophobicContact CD2-CG 4.11Å; F103-F116 HydrophobicContact CE1-CB 3.65Å; F103-F116 HydrophobicContact CE1-CG 4.36Å; F103-F116 HydrophobicContact CE2-CB 3.48Å; F103-F116 VanDerWaalsContact CE2-CB 3.48Å; F103-F116 HydrophobicContact CE2-CD1 4.22Å; F103-F116 AromaticContact CE2-CD2 3.24Å; F103-F116 HydrophobicContact CE2-CD2 3.24Å; F103-F116 AromaticContact CE2-CE2 3.99Å; F103-F116 HydrophobicContact CE2-CE2 3.99Å; F103-F116 AromaticContact CE2-CG 3.37Å; F103-F116 HydrophobicContact CE2-CG 3.37Å; F103-F116 HydrophobicContact CG-CB 4.23Å; F103-F116 HydrophobicContact CZ-CB 3.28Å; F103-F116 HydrophobicContact CZ-CD1 4.11Å; F103-F116 AromaticContact CZ-CD2 3.9Å; F103-F116 HydrophobicContact CZ-CD2 3.9Å; F103-F116 AromaticContact CZ-CG 3.5Å; F103-F116 HydrophobicContact CZ-CG 3.5Å; F103-F116 PolarHBondContact N-O 2.9Å; F103-F116 VanDerWaalsContact N-O 3.11Å; F103-F116 PolarHBondContact O-N 3.26Å; A105-F116 HydrophobicContact CB-CE2 4.22Å; F114-F116 HydrophobicContact CB-CE2 3.68Å; F114-F116 HydrophobicContact CB-CZ 4.19Å
117T92Very high82.6Confident81 Ų81121.8 Ų121.850%0.49760%0.595SS.*EExtended strand (participates in β ladder)trans-130.4131.2168.856.90000109.7S101 A102 Y115 Q119S101-T117 CarbonylContact O-C 3.5Å; S101-T117 WeakPolarHBondContact O-CA 3.19Å; A102-T117 HydrophobicContact CB-CG2 4.05Å; Y115-T117 HydrophobicContact CD1-CG2 4.23Å; Y115-T117 HydrophobicContact CE1-CG2 3.34Å; T117-Q119 PolarHBondContact O-N 2.83Å
118Q77.5Confident81.6Confident59 Ų59129.5 Ų129.528%0.27663%0.63SS.*  trans-79.7112.2165.9-77.2-176.9-15.500108.1F81 S101 Q120F81-Q118 HydrophobicContact CD2-CG 4.08Å; F81-Q118 HydrophobicContact CE2-CG 3.97Å; F81-Q118 HydrophobicContact CZ-CG 4.33Å; S101-Q118 PolarHBondContact O-N 2.81Å; Q118-Q120 PolarHBondContact O-N 3.42Å
119Q69.4Low80.4Confident174 Ų174127.2 Ų127.281%0.81363%0.63SS**  trans-77.1121.8163.7-65.6-163-8.900108.2T117 Q121T117-Q119 PolarHBondContact O-N 2.83Å; Q119-Q121 PolarHBondContact O-N 3.34Å
120Q52.9Low79.3Confident188 Ų188125.1 Ų125.188%0.87961%0.614SS**  trans-61.3110.6165.1-71.2-177.6-1.100107.3Q118 Q122Q118-Q120 PolarHBondContact O-N 3.42Å; Q120-Q122 PolarHBondContact O-N 3.25Å
121Q42.3Very low78.1Confident192 Ų192126.4 Ų126.490%0.89763%0.63SS**  trans-66.2113164.4-79.3178.4-3.200106.8Q119Q119-Q121 PolarHBondContact O-N 3.34Å
122Q30.5Very low76.6Confident260 Ų260126.2 Ų126.2100%1.21561%0.605SS**  trans-64.10167.3-73.4-177.7-2.500111Q120Q120-Q122 PolarHBondContact O-N 3.25Å

Retrieved 122 of 122 residues in 215.6 ms (Link to these results)

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