A0A077Z8P3_TRITR Loading...

Major sperm protein

Central component in molecular interactions underlying sperm crawling. Forms an extensive filament system that extends from sperm villipoda, along the leading edge of the pseudopod.

AlphaFold DB , UniProt , Accession A0A077Z8P3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 131 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
1M49.4Very low83.7Confident244 Ų24487.9 Ų87.9100%1.20251%0.509SS*.  0132.40-72.9178.9-171.500107.5
2M61.1Low84.7Confident170 Ų17083.9 Ų83.984%0.83749%0.494SS*.  trans-75.1124.4165.5-66.5-88.4-10100106.2T4M2-T4 PolarHBondContact O-N 3.11Å; M2-T4 VanDerWaalsContact O-N 3.11Å
3A70.5Confident85.6Confident75 Ų7584.9 Ų84.962%0.6250%0.496SS*.  trans-59.9116.9169.700000107.7F5A3-F5 HydrophobicContact CB-CE1 4.44Å; A3-F5 HydrophobicContact CB-CE2 4.29Å; A3-F5 HydrophobicContact CB-CZ 4Å
4T80.7Confident86.3Confident125 Ų12579.3 Ų79.377%0.76746%0.463SS*.  trans-89.1112.4176.4510000108M2M2-T4 PolarHBondContact O-N 3.11Å; M2-T4 VanDerWaalsContact O-N 3.11Å
5F89.2Confident87Confident40 Ų4078.8 Ų78.818%0.17546%0.461CS..  trans-85.5123.1173.3-56.1-71.9000109.1A3 P7 I98 D99 E101 A102 P103 W109A3-F5 HydrophobicContact CB-CE1 4.44Å; A3-F5 HydrophobicContact CB-CE2 4.29Å; A3-F5 HydrophobicContact CB-CZ 4Å; F5-P7 WeakPolarHBondContact O-CD 3.48Å; F5-I98 HydrophobicContact CB-CD1 3.7Å; F5-I98 HydrophobicContact CB-CG1 3.97Å; F5-D99 HydrophobicContact CB-CB 4.48Å; F5-D99 HydrophobicContact CD1-CB 3.68Å; F5-D99 HydrophobicContact CE1-CB 4.44Å; F5-E101 HydrophobicContact CE1-CB 3.86Å; F5-E101 HydrophobicContact CZ-CB 4.44Å; F5-E101 WeakPolarHBondContact CZ-O 3.3Å; F5-A102 HydrophobicContact CB-CB 4.5Å; F5-A102 HydrophobicContact CD1-CB 4.3Å; F5-A102 HydrophobicContact CD2-CB 4.18Å; F5-A102 HydrophobicContact CG-CB 4.05Å; F5-P103 HydrophobicContact CE2-CG 4.25Å; F5-W109 HydrophobicContact CB-CZ2 3.96Å; F5-W109 HydrophobicContact CD2-CZ2 4.19Å; F5-W109 HydrophobicContact CG-CZ2 4.49Å; F5-W109 PolarHBondContact O-NE1 3.38Å
6T91.7Very high87.5Confident99 Ų9976.5 Ų76.561%0.60744%0.443SS*.  trans-91.7115.8-179.3-56.30000109.4
7P94.7Very high87.9Confident4 Ų478.7 Ų78.73%0.02645%0.448CS..  trans-70152.5173.830.8-34.9000110.6F5 L96 C97 I98 W109 Q112 L114F5-P7 WeakPolarHBondContact O-CD 3.48Å; P7-L96 HydrophobicContact CB-CD1 3.59Å; P7-L96 HydrophobicContact CB-CD2 3.91Å; P7-L96 HydrophobicContact CB-CG 4.28Å; P7-C97 CarbonylContact C-O 3.58Å; P7-C97 WeakPolarHBondContact CA-O 3.4Å; P7-I98 HydrophobicContact CB-CD1 4Å; P7-W109 HydrophobicContact CB-CB 4.03Å; P7-W109 HydrophobicContact CB-CG 4.39Å; P7-W109 HydrophobicContact CG-CB 3.97Å; P7-W109 HydrophobicContact CG-CG 4.26Å; P7-Q112 VanDerWaalsContact CG-CD 3.46Å; P7-Q112 HydrophobicContact CG-CG 4.49Å; P7-Q112 VanDerWaalsContact CG-NE2 3.32Å; P7-L114 HydrophobicContact CG-CD1 4.26Å; P7-L114 VanDerWaalsContact O-CD1 3.3Å; P7-L114 WeakPolarHBondContact O-CD1 3.47Å
8I95.8Very high88.1Confident62 Ų6277.3 Ų77.332%0.31844%0.443SS..BIsolated β-bridgetrans-131.1159.617073.3165000110.6C97I8-C97 HydrophobicContact CD1-CB 4.37Å; I8-C97 HydrophobicContact CG1-CB 3.65Å; I8-C97 PolarHBondContact N-O 2.95Å; I8-C97 PolarHBondContact O-N 2.81Å
9A96Very high87.9Confident49 Ų4980.1 Ų80.141%0.40545%0.451SS..  trans-64.1130.8170.700000110P11 L114A9-P11 VanDerWaalsContact O-CD 3.29Å; A9-P11 WeakPolarHBondContact O-CD 3.28Å; A9-L114 WeakPolarHBondContact CA-O 3.31Å; A9-L114 HydrophobicContact CB-CD2 4.42Å
10P96Very high87.7Confident3 Ų383.5 Ų83.52%0.01946%0.461CS..  trans-59.3121.9178.6-2331.8000111.7A12 Y95 K116P10-A12 VanDerWaalsContact C-N 3.32Å; P10-A12 WeakPolarHBondContact CB-O 3.48Å; P10-A12 PolarHBondContact O-N 3.28Å; P10-Y95 HydrophobicContact CB-CD2 4.38Å; P10-Y95 HydrophobicContact CB-CE2 3.96Å; P10-Y95 HydrophobicContact CG-CD2 3.71Å; P10-Y95 HydrophobicContact CG-CE2 3.66Å; P10-K116 HydrophobicContact CB-CD 4.16Å; P10-K116 HydrophobicContact CG-CD 4.19Å; P10-K116 HydrophobicContact CG-CG 4.35Å; P10-K116 VanDerWaalsContact O-CE 3.26Å; P10-K116 WeakPolarHBondContact O-CE 3.32Å; P10-K116 PolarHBondContact O-NZ 3.3Å
11P95.1Very high87.9Confident96 Ų9683 Ų8362%0.62346%0.455SS*.SBendtrans-58.3-44177-25.534.1000112.5A9 N42A9-P11 VanDerWaalsContact O-CD 3.29Å; A9-P11 WeakPolarHBondContact O-CD 3.28Å; P11-N42 WeakPolarHBondContact CD-OD1 3.28Å
12A95.9Very high89.9Confident40 Ų4071.4 Ų71.433%0.33140%0.398SS..SBendtrans-112.7151.5174.900000111.3P10 P41 N42P10-A12 VanDerWaalsContact C-N 3.32Å; P10-A12 WeakPolarHBondContact CB-O 3.48Å; P10-A12 PolarHBondContact O-N 3.28Å; A12-P41 HydrophobicContact CB-CG 3.88Å; A12-N42 WeakPolarHBondContact CB-OD1 3.42Å; A12-N42 PolarHBondContact N-OD1 3Å; A12-N42 PolarHBondContact O-ND2 2.92Å; A12-N42 PolarHBondContact O-OD1 2.84Å
13D96.5Very high91.2Very high97 Ų9766.2 Ų66.252%0.51938%0.376SS..PPolyproline II helixtrans-72146.9175.2-64.2-33.6000110.9V15 P41 K116D13-V15 PolarHBondContact O-N 3.41Å; D13-P41 WeakPolarHBondContact O-CG 3.3Å; D13-K116 WeakPolarHBondContact OD1-CD 3.39Å; D13-K116 WeakPolarHBondContact OD1-CE 3.41Å; D13-K116 IonicContact OD1-NZ 3.59Å; D13-K116 PolarHBondContact OD1-NZ 2.83Å
14L95.7Very high92Very high6 Ų662.7 Ų62.73%0.03135%0.347CS..PPolyproline II helixtrans-63.3137170.5-74.1178.2000109T39 N40 V46 Y95 I118L14-T39 WeakPolarHBondContact CD2-O 3.27Å; L14-N40 HydrophobicContact CD2-CB 3.99Å; L14-V46 HydrophobicContact CD1-CG1 4.05Å; L14-V46 HydrophobicContact CD2-CB 4.31Å; L14-V46 HydrophobicContact CD2-CG1 4.11Å; L14-V46 HydrophobicContact CD2-CG2 4.05Å; L14-V46 HydrophobicContact CG-CG1 4.39Å; L14-Y95 HydrophobicContact CB-CE2 4.22Å; L14-Y95 HydrophobicContact CD1-CD1 3.87Å; L14-Y95 HydrophobicContact CD1-CD2 3.64Å; L14-Y95 HydrophobicContact CD1-CE1 4.24Å; L14-Y95 HydrophobicContact CD1-CE2 4.04Å; L14-Y95 HydrophobicContact CD1-CG 3.55Å; L14-Y95 HydrophobicContact CG-CD1 4.46Å; L14-Y95 HydrophobicContact CG-CD2 3.64Å; L14-Y95 HydrophobicContact CG-CE1 4.44Å; L14-Y95 HydrophobicContact CG-CE2 3.61Å; L14-Y95 HydrophobicContact CG-CG 4.09Å; L14-Y95 PolarHBondContact N-OH 2.95Å; L14-I118 HydrophobicContact CB-CD1 3.78Å
15V96.4Very high92.2Very high72 Ų7261.3 Ų61.344%0.43633%0.332SS..EExtended strand (participates in β ladder)trans-84.5138.1169179.20000107.2D13 I38 T39D13-V15 PolarHBondContact O-N 3.41Å; V15-I38 CarbonylContact O-C 3.57Å; V15-I38 WeakPolarHBondContact O-CA 3.22Å; V15-T39 PolarHBondContact N-O 3.2Å; V15-T39 PolarHBondContact O-N 3.24Å
16Y95.4Very high91.7Very high42 Ų4260.7 Ų60.717%0.16533%0.334CS..EExtended strand (participates in β ladder)trans-145.3147.4-178.665.8-80.3000112.5P18 E19 L36 Q37 I118 V120Y16-P18 WeakPolarHBondContact CD2-O 3.19Å; Y16-E19 WeakPolarHBondContact O-CG 3.36Å; Y16-L36 HydrophobicContact CD2-CD1 4.2Å; Y16-Q37 CarbonylContact C-O 3.59Å; Y16-Q37 WeakPolarHBondContact CA-O 3.37Å; Y16-Q37 WeakPolarHBondContact CB-O 3.33Å; Y16-I118 HydrophobicContact CD1-CD1 3.67Å; Y16-I118 HydrophobicContact CD1-CG1 4.2Å; Y16-I118 HydrophobicContact CD1-CG2 3.91Å; Y16-I118 HydrophobicContact CD2-CG2 4.13Å; Y16-I118 HydrophobicContact CE1-CB 4.44Å; Y16-I118 HydrophobicContact CE1-CD1 3.98Å; Y16-I118 HydrophobicContact CE1-CG1 3.99Å; Y16-I118 HydrophobicContact CE1-CG2 3.56Å; Y16-I118 HydrophobicContact CE2-CG2 3.75Å; Y16-I118 HydrophobicContact CG-CD1 4.45Å; Y16-I118 HydrophobicContact CG-CG2 4.19Å; Y16-I118 VanDerWaalsContact CZ-CG2 3.48Å; Y16-V120 HydrophobicContact CD2-CG2 4.26Å; Y16-V120 HydrophobicContact CE2-CG2 3.89Å
17Q93.8Very high91.2Very high114 Ų11460 Ų6053%0.53333%0.331SS..EExtended strand (participates in β ladder)trans-139.1136.4-179.1-68.4-172.5-9.300111.5L36 Q37Q17-L36 CarbonylContact O-C 3.53Å; Q17-L36 VanDerWaalsContact O-CA 3.3Å; Q17-L36 WeakPolarHBondContact O-CA 2.98Å; Q17-Q37 PolarHBondContact N-O 2.86Å; Q17-Q37 PolarHBondContact O-N 3.3Å
18P91Very high90.7Very high54 Ų5461.9 Ų61.935%0.35134%0.339SS..SBendcis-66.1150.5-6.129.2-37.6000112.9Y16 E21 I22 L36Y16-P18 WeakPolarHBondContact CD2-O 3.19Å; P18-E21 WeakPolarHBondContact CG-O 3.33Å; P18-I22 HydrophobicContact CG-CG2 3.57Å; P18-L36 HydrophobicContact CG-CD1 4.47Å; P18-L36 WeakPolarHBondContact O-CD1 3.27Å
19E84.8Confident90.3Very high130 Ų13062.7 Ų62.761%0.60735%0.347SS*.  trans-76.2140179.3-68.7-175.4-173.700111.3Y16 E21Y16-E19 WeakPolarHBondContact O-CG 3.36Å; E19-E21 PolarHBondContact O-N 2.82Å
20K85.3Confident90Very high148 Ų14865 Ų6564%0.64335%0.352SS*.SBendtrans62.3-38174.3-57.8175.7-178.3172.60117.3V120 S121K20-V120 WeakPolarHBondContact O-CA 3.36Å; K20-S121 PolarHBondContact O-N 3.22Å
21E90.4Very high89.9Confident72 Ų7271.7 Ų71.734%0.33638%0.377SS..EExtended strand (participates in β ladder)trans-144.7145.9-175.360.2-176.3-142.900113.7P18 E19 S121 R123P18-E21 WeakPolarHBondContact CG-O 3.33Å; E19-E21 PolarHBondContact O-N 2.82Å; E21-S121 VanDerWaalsContact CA-O 3.26Å; E21-S121 WeakPolarHBondContact CA-O 3.34Å; E21-R123 HydrophobicContact CB-CG 4.46Å; E21-R123 VanDerWaalsContact CD-NE 3.34Å; E21-R123 IonicContact OE1-CZ 3.83Å; E21-R123 IonicContact OE1-NE 3.44Å; E21-R123 PolarHBondContact OE1-NE 2.84Å; E21-R123 IonicContact OE1-NH2 3.8Å; E21-R123 IonicContact OE2-CZ 3.19Å; E21-R123 IonicContact OE2-NE 2.73Å; E21-R123 PolarHBondContact OE2-NE 3.4Å; E21-R123 IonicContact OE2-NH2 2.83Å; E21-R123 PolarHBondContact OE2-NH2 2.65Å
22I91.2Very high89.7Confident1 Ų168.4 Ų68.41%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-113.9145.7170.155163.1000108.8P18 V34 L36 I77 F91 V120 S121 I122 R123P18-I22 HydrophobicContact CG-CG2 3.57Å; I22-V34 HydrophobicContact CB-CG1 3.97Å; I22-V34 HydrophobicContact CB-CG2 4.19Å; I22-V34 HydrophobicContact CD1-CG1 3.36Å; I22-V34 HydrophobicContact CG1-CG1 4.21Å; I22-V34 HydrophobicContact CG2-CG1 4.26Å; I22-V34 HydrophobicContact CG2-CG2 4.23Å; I22-L36 HydrophobicContact CG2-CD1 4.27Å; I22-I77 HydrophobicContact CD1-CB 4.33Å; I22-I77 HydrophobicContact CD1-CD1 3.77Å; I22-I77 HydrophobicContact CD1-CG2 4.14Å; I22-F91 HydrophobicContact CD1-CD1 4.16Å; I22-F91 HydrophobicContact CD1-CE1 3.56Å; I22-F91 HydrophobicContact CG1-CE1 3.92Å; I22-F91 HydrophobicContact CG2-CE1 4.41Å; I22-V120 HydrophobicContact CG1-CG1 4.42Å; I22-V120 HydrophobicContact CG2-CG1 4.12Å; I22-S121 PolarHBondContact N-O 3.07Å; I22-I122 HydrophobicContact CD1-CB 4.49Å; I22-I122 HydrophobicContact CD1-CD1 4.2Å; I22-I122 HydrophobicContact CD1-CG1 3.82Å; I22-I122 HydrophobicContact CD1-CG2 4.33Å; I22-I122 HydrophobicContact CG1-CB 4.32Å; I22-I122 HydrophobicContact CG1-CG1 3.97Å; I22-I122 HydrophobicContact CG1-CG2 4.35Å; I22-R123 PolarHBondContact O-N 3.43Å
23T89.8Confident89.5Confident61 Ų6170 Ų7037%0.37436%0.361SS..EExtended strand (participates in β ladder)trans-109.1125.9176.1-60.50000110.4E25 R123 K125T23-E25 HydrophobicContact CG2-CG 4.06Å; T23-R123 CarbonylContact C-O 3.54Å; T23-R123 WeakPolarHBondContact CA-O 3.46Å; T23-K125 HydrophobicContact CG2-CB 3.67Å; T23-K125 HydrophobicContact CG2-CD 4.39Å
24L86.7Confident89.4Confident1 Ų166.5 Ų66.51%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-104.3112.3168.1-65.2177.6000108.9T32 V34 F58 R79 I122 R123 H124 K125L24-T32 HydrophobicContact CB-CG2 4.3Å; L24-T32 HydrophobicContact CD2-CG2 3.86Å; L24-V34 HydrophobicContact CD2-CB 4.04Å; L24-V34 HydrophobicContact CD2-CG1 3.82Å; L24-F58 HydrophobicContact CD1-CD1 4.46Å; L24-F58 HydrophobicContact CD1-CE1 3.73Å; L24-R79 HydrophobicContact CD1-CB 3.72Å; L24-R79 HydrophobicContact CD1-CG 4.5Å; L24-I122 HydrophobicContact CD1-CG2 3.58Å; L24-I122 HydrophobicContact CG-CG2 3.95Å; L24-R123 PolarHBondContact N-O 2.96Å; L24-H124 WeakPolarHBondContact O-CA 3.29Å; L24-K125 PolarHBondContact O-N 3.44Å; L24-K125 VanDerWaalsContact O-N 3.07Å
25E84.5Confident89.3Confident97 Ų9770 Ų7045%0.45336%0.36SS..EExtended strand (participates in β ladder)trans-82.6161.9-178.5-56.7-162140.300112T23 R79 K125T23-E25 HydrophobicContact CG2-CG 4.06Å; E25-R79 PolarHBondContact O-NH2 2.94Å; E25-K125 CarbonylContact C-O 3.57Å; E25-K125 WeakPolarHBondContact CA-O 3.04Å; E25-K125 HydrophobicContact CG-CB 4.32Å; E25-K125 HydrophobicContact CG-CD 4.48Å; E25-K125 WeakPolarHBondContact OE1-CD 3.5Å; E25-K125 IonicContact OE1-NZ 2.82Å; E25-K125 PolarHBondContact OE1-NZ 3.21Å
26A78.7Confident89.2Confident27 Ų2766.6 Ų66.622%0.22334%0.339CS..SBendtrans-70.8156.9165.500000110.7F28 K125 A127A26-F28 HydrophobicContact CB-CD1 4.01Å; A26-F28 HydrophobicContact CB-CE1 3.8Å; A26-F28 HydrophobicContact CB-CZ 4.21Å; A26-K125 PolarHBondContact N-O 3.22Å; A26-A127 HydrophobicContact CB-CB 4.01Å
27P82.2Confident89.3Confident84 Ų8468.1 Ų68.155%0.54535%0.347SS..PPolyproline II helixcis-76.5150.4732.1-35.9000113.7T29P27-T29 VanDerWaalsContact C-N 3.31Å
28F83.6Confident89.5Confident43 Ų4362.7 Ų62.719%0.18932%0.322CS..THydrogen-bonded Turntrans-91.95.5179.6-53.2-27.2000112.9A26 N82 P85 H124 V126A26-F28 HydrophobicContact CB-CD1 4.01Å; A26-F28 HydrophobicContact CB-CE1 3.8Å; A26-F28 HydrophobicContact CB-CZ 4.21Å; F28-N82 WeakPolarHBondContact O-CA 3.36Å; F28-N82 PolarHBondContact O-N 2.81Å; F28-P85 HydrophobicContact CD2-CG 4.45Å; F28-P85 HydrophobicContact CE2-CG 3.89Å; F28-P85 HydrophobicContact CZ-CG 4.35Å; F28-H124 HydrophobicContact CZ-CB 4.43Å; F28-V126 HydrophobicContact CE2-CG2 4.09Å; F28-V126 HydrophobicContact CZ-CG2 4.04Å
29T87.9Confident89.8Confident79 Ų7962 Ų6249%0.48532%0.317SS..THydrogen-bonded Turntrans-81.7-17179.850.10000113.1P27 P81P27-T29 VanDerWaalsContact C-N 3.31Å; T29-P81 WeakPolarHBondContact O-CB 3.4Å
30D89.7Confident90.4Very high98 Ų9855.9 Ų55.952%0.52429%0.288SS..SBendtrans-125.6169-174.2-67.2-67.3000111.5T32D30-T32 PolarHBondContact O-N 3.3Å
31W92.4Very high91Very high144 Ų14451.8 Ų51.855%0.54528%0.277SS..  trans-63.4124.2173-73.292.4000110V59 R79 K80 P81W31-V59 HydrophobicContact CH2-CG2 3.88Å; W31-V59 HydrophobicContact CZ3-CB 4.35Å; W31-V59 HydrophobicContact CZ3-CG2 3.83Å; W31-R79 WeakPolarHBondContact CA-O 3.41Å; W31-R79 VanDerWaalsContact CE3-O 3.27Å; W31-K80 HydrophobicContact CE3-CG 4.44Å; W31-K80 HydrophobicContact CH2-CB 4.36Å; W31-K80 HydrophobicContact CH2-CD 4.36Å; W31-K80 HydrophobicContact CH2-CG 3.46Å; W31-K80 VanDerWaalsContact CH2-CG 3.46Å; W31-K80 HydrophobicContact CZ2-CG 4.11Å; W31-K80 HydrophobicContact CZ3-CB 4.34Å; W31-K80 HydrophobicContact CZ3-CG 3.62Å; W31-P81 HydrophobicContact CD2-CG 4.33Å; W31-P81 VanDerWaalsContact CE2-CD 3.46Å; W31-P81 HydrophobicContact CG-CG 4.02Å
32T91.9Very high91.3Very high27 Ų2748.7 Ų48.717%0.16626%0.263CS..EExtended strand (participates in β ladder)trans-113.8122173.3-45.20000108.3L24 D30 S78 R79L24-T32 HydrophobicContact CB-CG2 4.3Å; L24-T32 HydrophobicContact CD2-CG2 3.86Å; D30-T32 PolarHBondContact O-N 3.3Å; T32-S78 CarbonylContact O-C 3.54Å; T32-S78 VanDerWaalsContact O-CA 3.32Å; T32-S78 WeakPolarHBondContact O-CA 3.4Å; T32-R79 PolarHBondContact N-O 3.26Å; T32-R79 PolarHBondContact O-N 3.13Å; T32-R79 PolarHBondContact OG1-NH2 2.98Å
33T92.6Very high91.5Very high72 Ų7253.3 Ų53.344%0.44230%0.295SS..EExtended strand (participates in β ladder)trans-115.9136.8-179.3-57.80000110.2R76 I77 S78T33-R76 HydrophobicContact CG2-CB 4.02Å; T33-R76 HydrophobicContact CG2-CG 4.47Å; T33-I77 WeakPolarHBondContact CA-O 3.38Å; T33-S78 WeakPolarHBondContact CG2-OG 3.19Å; T33-S78 WeakPolarHBondContact OG1-CB 3.18Å; T33-S78 PolarHBondContact OG1-OG 3.28Å
34V92.7Very high91.8Very high25 Ų2553 Ų5315%0.15229%0.289CS..EExtended strand (participates in β ladder)trans-122.1146.3168.765.10000109.1I22 L24 R76 I77I22-V34 HydrophobicContact CB-CG1 3.97Å; I22-V34 HydrophobicContact CB-CG2 4.19Å; I22-V34 HydrophobicContact CD1-CG1 3.36Å; I22-V34 HydrophobicContact CG1-CG1 4.21Å; I22-V34 HydrophobicContact CG2-CG1 4.26Å; I22-V34 HydrophobicContact CG2-CG2 4.23Å; L24-V34 HydrophobicContact CD2-CB 4.04Å; L24-V34 HydrophobicContact CD2-CG1 3.82Å; V34-R76 WeakPolarHBondContact O-CA 3.32Å; V34-I77 HydrophobicContact CG1-CB 4.03Å; V34-I77 PolarHBondContact N-O 2.77Å; V34-I77 PolarHBondContact O-N 3.07Å
35E94Very high92.3Very high80 Ų8053.7 Ų53.737%0.37429%0.292SS..EExtended strand (participates in β ladder)trans-103.2134.3176.6-53.8-163.214100109.5R76E35-R76 HydrophobicContact CG-CG 4.18Å; E35-R76 IonicContact OE1-CZ 3.38Å; E35-R76 IonicContact OE1-NE 2.75Å; E35-R76 PolarHBondContact OE1-NE 3.48Å; E35-R76 IonicContact OE1-NH2 2.78Å; E35-R76 PolarHBondContact OE1-NH2 2.77Å; E35-R76 VanDerWaalsContact OE1-NH2 3.11Å
36L95.2Very high92.9Very high0 Ų049.1 Ų49.10%027%0.271CS..EExtended strand (participates in β ladder)trans-116.1126.2171.5-176.791.5000108.1Y16 Q17 P18 I22 I38 Q74 I75 I77 F91 I93Y16-L36 HydrophobicContact CD2-CD1 4.2Å; Q17-L36 CarbonylContact O-C 3.53Å; Q17-L36 VanDerWaalsContact O-CA 3.3Å; Q17-L36 WeakPolarHBondContact O-CA 2.98Å; P18-L36 HydrophobicContact CG-CD1 4.47Å; P18-L36 WeakPolarHBondContact O-CD1 3.27Å; I22-L36 HydrophobicContact CG2-CD1 4.27Å; L36-I38 HydrophobicContact CD2-CG2 4.05Å; L36-Q74 CarbonylContact O-C 3.48Å; L36-Q74 WeakPolarHBondContact O-CA 3.38Å; L36-I75 PolarHBondContact N-O 3.07Å; L36-I75 PolarHBondContact O-N 3.35Å; L36-I77 HydrophobicContact CB-CD1 4.33Å; L36-F91 HydrophobicContact CD1-CZ 4.17Å; L36-F91 HydrophobicContact CD2-CE2 3.64Å; L36-F91 HydrophobicContact CD2-CZ 3.73Å; L36-F91 HydrophobicContact CG-CZ 4.41Å; L36-I93 HydrophobicContact CD2-CD1 3.4Å; L36-I93 VanDerWaalsContact CD2-CD1 3.4Å
37Q96.6Very high93.8Very high73 Ų7347.8 Ų47.834%0.34126%0.26SS..EExtended strand (participates in β ladder)trans-90137.2171.8-66.2-177.24.800109.6Y16 Q17 T72 K73 Q74Y16-Q37 CarbonylContact C-O 3.59Å; Y16-Q37 WeakPolarHBondContact CA-O 3.37Å; Y16-Q37 WeakPolarHBondContact CB-O 3.33Å; Q17-Q37 PolarHBondContact N-O 2.86Å; Q17-Q37 PolarHBondContact O-N 3.3Å; Q37-T72 HydrophobicContact CB-CG2 4.05Å; Q37-T72 HydrophobicContact CG-CG2 4.48Å; Q37-K73 CarbonylContact C-O 3.51Å; Q37-K73 WeakPolarHBondContact CA-O 3Å; Q37-Q74 HydrophobicContact CG-CG 3.96Å
38I97.3Very high94.6Very high0 Ų044 Ų440%024%0.235CC..EExtended strand (participates in β ladder)trans-123.4127.9168.557168.8000109.2V15 L36 Y48 V67 T72 K73 I75 I93V15-I38 CarbonylContact O-C 3.57Å; V15-I38 WeakPolarHBondContact O-CA 3.22Å; L36-I38 HydrophobicContact CD2-CG2 4.05Å; I38-Y48 HydrophobicContact CD1-CD1 3.9Å; I38-Y48 HydrophobicContact CD1-CD2 4.33Å; I38-Y48 HydrophobicContact CD1-CE1 3.82Å; I38-Y48 HydrophobicContact CD1-CE2 4.28Å; I38-Y48 HydrophobicContact CD1-CG 4.14Å; I38-V67 HydrophobicContact CD1-CG2 3.5Å; I38-V67 HydrophobicContact CG1-CG2 3.93Å; I38-T72 CarbonylContact O-C 3.48Å; I38-T72 WeakPolarHBondContact O-CA 3.43Å; I38-K73 HydrophobicContact CG1-CB 4.16Å; I38-K73 PolarHBondContact N-O 2.96Å; I38-K73 PolarHBondContact O-N 2.75Å; I38-I75 HydrophobicContact CD1-CD1 3.65Å; I38-I75 HydrophobicContact CD1-CG1 4.33Å; I38-I75 HydrophobicContact CG1-CD1 4.14Å; I38-I75 HydrophobicContact CG1-CG1 4.47Å; I38-I75 HydrophobicContact CG2-CD1 4.3Å; I38-I93 HydrophobicContact CG2-CD1 3.69Å
39T97.9Very high95.2Very high41 Ų4143.2 Ų43.225%0.25223%0.232SC..EExtended strand (participates in β ladder)trans-116.6133.6-178.7-55.90000108.8L14 V15 P41 D71 T72L14-T39 WeakPolarHBondContact CD2-O 3.27Å; V15-T39 PolarHBondContact N-O 3.2Å; V15-T39 PolarHBondContact O-N 3.24Å; T39-P41 WeakPolarHBondContact O-CD 3.36Å; T39-D71 WeakPolarHBondContact CA-O 3.18Å; T39-T72 WeakPolarHBondContact CB-OG1 3.29Å; T39-T72 WeakPolarHBondContact CG2-OG1 3.25Å; T39-T72 WeakPolarHBondContact OG1-CG2 3.13Å; T39-T72 PolarHBondContact OG1-OG1 2.81Å
40N98Very high95.7Very high0 Ų040.3 Ų40.30%021%0.214CC..  trans-96104.3178.9178.719.3000111.1L14 N42 Q44 V46 V67 E68 S70 D71L14-N40 HydrophobicContact CD2-CB 3.99Å; N40-N42 PolarHBondContact O-N 3.2Å; N40-N42 VanDerWaalsContact OD1-CB 3.22Å; N40-N42 WeakPolarHBondContact OD1-CB 3.43Å; N40-N42 PolarHBondContact OD1-N 2.76Å; N40-N42 PolarHBondContact OD1-ND2 3.06Å; N40-Q44 PolarHBondContact ND2-O 2.95Å; N40-V46 HydrophobicContact CB-CG2 4.38Å; N40-V46 VanDerWaalsContact OD1-CG2 3.29Å; N40-V46 WeakPolarHBondContact OD1-CG2 3.37Å; N40-V67 HydrophobicContact CB-CB 3.97Å; N40-V67 HydrophobicContact CB-CG1 3.53Å; N40-V67 PolarHBondContact ND2-O 2.85Å; N40-V67 VanDerWaalsContact ND2-O 3.17Å; N40-E68 WeakPolarHBondContact CB-O 3.43Å; N40-E68 PolarHBondContact ND2-O 2.84Å; N40-S70 WeakPolarHBondContact O-CA 3.4Å; N40-S70 PolarHBondContact O-N 3.37Å; N40-D71 PolarHBondContact N-O 3.09Å
41P97.3Very high96Very high62 Ų6240.3 Ų40.340%0.40321%0.209SC..  trans-80.6-0.817634.4-36.5000113.4A12 D13 T39A12-P41 HydrophobicContact CB-CG 3.88Å; D13-P41 WeakPolarHBondContact O-CG 3.3Å; T39-P41 WeakPolarHBondContact O-CD 3.36Å
42N96.8Very high96.2Very high8 Ų835.3 Ų35.34%0.04319%0.192CC..SBendtrans-85.7155.1-177.1-54.1-84.2000111.1P11 A12 N40 Q44 P69P11-N42 WeakPolarHBondContact CD-OD1 3.28Å; A12-N42 WeakPolarHBondContact CB-OD1 3.42Å; A12-N42 PolarHBondContact N-OD1 3Å; A12-N42 PolarHBondContact O-ND2 2.92Å; A12-N42 PolarHBondContact O-OD1 2.84Å; N40-N42 PolarHBondContact O-N 3.2Å; N40-N42 VanDerWaalsContact OD1-CB 3.22Å; N40-N42 WeakPolarHBondContact OD1-CB 3.43Å; N40-N42 PolarHBondContact OD1-N 2.76Å; N40-N42 PolarHBondContact OD1-ND2 3.06Å; N42-Q44 PolarHBondContact O-N 3.4Å; N42-P69 WeakPolarHBondContact O-CA 3.4Å; N42-P69 WeakPolarHBondContact O-CB 3.46Å
43S95.2Very high96.3Very high98 Ų9837.3 Ų37.369%0.68521%0.205SC*.SBendtrans-74.5-10.3172.854.30000113.9P69S43-P69 VanDerWaalsContact O-CG 3.27Å; S43-P69 WeakPolarHBondContact O-CG 3.41Å
44Q96.2Very high96.4Very high53 Ų5335.3 Ų35.325%0.24819%0.189CC..SBendtrans-108.7150.2177.4-70.9172.9-88.100110.9N40 N42 C97N40-Q44 PolarHBondContact ND2-O 2.95Å; N42-Q44 PolarHBondContact O-N 3.4Å; Q44-C97 HydrophobicContact CB-CB 4.07Å
45K96.8Very high96.4Very high17 Ų1738.1 Ų38.17%0.07421%0.208CC..EExtended strand (participates in β ladder)trans-59.1137.1173.2-171.8-177.3-44.2-142.10109.7F66 E68 C97 I98 N100K45-F66 HydrophobicContact CD-CB 3.7Å; K45-F66 HydrophobicContact CD-CD1 3.51Å; K45-F66 HydrophobicContact CD-CD2 4.09Å; K45-F66 HydrophobicContact CD-CE1 4.06Å; K45-F66 HydrophobicContact CD-CG 3.52Å; K45-F66 HydrophobicContact CG-CB 3.94Å; K45-F66 HydrophobicContact CG-CD1 3.94Å; K45-F66 HydrophobicContact CG-CG 4.14Å; K45-E68 VanDerWaalsContact CE-OE1 3.28Å; K45-E68 WeakPolarHBondContact CE-OE1 3.29Å; K45-E68 WeakPolarHBondContact CE-OE2 3.22Å; K45-E68 IonicContact NZ-OE1 3.57Å; K45-E68 PolarHBondContact NZ-OE1 2.82Å; K45-E68 IonicContact NZ-OE2 2.75Å; K45-E68 PolarHBondContact NZ-OE2 3.36Å; K45-C97 WeakPolarHBondContact O-CA 3.08Å; K45-I98 HydrophobicContact CB-CG2 4.25Å; K45-I98 HydrophobicContact CD-CG2 4.46Å; K45-I98 HydrophobicContact CG-CG2 4.42Å; K45-I98 PolarHBondContact O-N 3.35Å; K45-N100 WeakPolarHBondContact CB-OD1 3.47Å; K45-N100 WeakPolarHBondContact CE-O 3.36Å; K45-N100 PolarHBondContact N-OD1 2.97Å; K45-N100 PolarHBondContact NZ-O 3.45Å
46V98Very high96.4Very high0 Ų040.4 Ų40.40%022%0.223CC..EExtended strand (participates in β ladder)trans-99.2124173.7167.70000109.5L14 N40 F66 V67 Y95 L96L14-V46 HydrophobicContact CD1-CG1 4.05Å; L14-V46 HydrophobicContact CD2-CB 4.31Å; L14-V46 HydrophobicContact CD2-CG1 4.11Å; L14-V46 HydrophobicContact CD2-CG2 4.05Å; L14-V46 HydrophobicContact CG-CG1 4.39Å; N40-V46 HydrophobicContact CB-CG2 4.38Å; N40-V46 VanDerWaalsContact OD1-CG2 3.29Å; N40-V46 WeakPolarHBondContact OD1-CG2 3.37Å; V46-F66 CarbonylContact O-C 3.55Å; V46-F66 WeakPolarHBondContact O-CA 3.23Å; V46-V67 HydrophobicContact CB-CB 4.44Å; V46-V67 PolarHBondContact N-O 3.26Å; V46-V67 PolarHBondContact O-N 2.88Å; V46-Y95 HydrophobicContact CG1-CD2 4.01Å; V46-Y95 HydrophobicContact CG1-CG 4.3Å; V46-L96 CarbonylContact C-O 3.58Å; V46-L96 WeakPolarHBondContact CA-O 3.34Å
47A97.9Very high96.4Very high0 Ų042.2 Ų42.20%023%0.233CC..EExtended strand (participates in β ladder)trans-89.3133165.500000108.8F66 Y95 L96 I98 V105 W109 F110A47-F66 HydrophobicContact CB-CD1 3.88Å; A47-F66 HydrophobicContact CB-CE1 3.7Å; A47-Y95 VanDerWaalsContact O-CA 3.22Å; A47-Y95 WeakPolarHBondContact O-CA 3.26Å; A47-L96 HydrophobicContact CB-CD1 3.99Å; A47-L96 PolarHBondContact N-O 3.19Å; A47-L96 PolarHBondContact O-N 2.87Å; A47-I98 HydrophobicContact CB-CG2 4.13Å; A47-V105 HydrophobicContact CB-CG2 4.48Å; A47-W109 HydrophobicContact CB-CE3 4.14Å; A47-W109 HydrophobicContact CB-CZ3 4.19Å; A47-F110 HydrophobicContact CB-CZ 3.95Å
48Y98.1Very high96.4Very high4 Ų439 Ų392%0.01622%0.217CC..EExtended strand (participates in β ladder)trans-136158.1176.471.9-86.9000112.7I38 V50 P62 K64 G65 V67 I75 V94I38-Y48 HydrophobicContact CD1-CD1 3.9Å; I38-Y48 HydrophobicContact CD1-CD2 4.33Å; I38-Y48 HydrophobicContact CD1-CE1 3.82Å; I38-Y48 HydrophobicContact CD1-CE2 4.28Å; I38-Y48 HydrophobicContact CD1-CG 4.14Å; Y48-V50 HydrophobicContact CD2-CG2 4.31Å; Y48-V50 HydrophobicContact CE2-CG2 4.45Å; Y48-P62 WeakPolarHBondContact OH-CG 3.22Å; Y48-K64 CarbonylContact O-C 3.47Å; Y48-K64 VanDerWaalsContact O-CA 3.22Å; Y48-K64 WeakPolarHBondContact O-CA 3.19Å; Y48-K64 WeakPolarHBondContact O-CB 3.28Å; Y48-G65 WeakPolarHBondContact CD1-O 3.27Å; Y48-G65 WeakPolarHBondContact CE1-O 3.29Å; Y48-G65 PolarHBondContact N-O 2.88Å; Y48-G65 PolarHBondContact O-N 2.84Å; Y48-V67 HydrophobicContact CD1-CG2 3.81Å; Y48-V67 HydrophobicContact CE1-CG2 3.66Å; Y48-I75 HydrophobicContact CD2-CD1 4.16Å; Y48-I75 HydrophobicContact CE2-CD1 3.65Å; Y48-I75 HydrophobicContact CE2-CG1 4.2Å; Y48-V94 CarbonylContact C-O 3.56Å; Y48-V94 VanDerWaalsContact CA-O 3.23Å; Y48-V94 WeakPolarHBondContact CA-O 3.19Å
49F97.7Very high96.3Very high27 Ų2741.5 Ų41.512%0.11823%0.233CC..EExtended strand (participates in β ladder)trans-143.5154161.775.8-80.3000110.9K51 S63 K64 V94 M107 F110F49-K51 HydrophobicContact CD2-CG 4.12Å; F49-K51 HydrophobicContact CE2-CD 3.99Å; F49-K51 HydrophobicContact CE2-CG 3.55Å; F49-K51 HydrophobicContact CZ-CD 4.47Å; F49-K51 VanDerWaalsContact CZ-CE 3.41Å; F49-K51 HydrophobicContact CZ-CG 4.42Å; F49-S63 CarbonylContact C-O 3.51Å; F49-S63 VanDerWaalsContact CA-O 3.29Å; F49-S63 WeakPolarHBondContact CA-O 3.47Å; F49-K64 HydrophobicContact CB-CB 3.74Å; F49-V94 HydrophobicContact CD1-CB 3.87Å; F49-V94 HydrophobicContact CD1-CG1 4.2Å; F49-V94 HydrophobicContact CE1-CB 3.43Å; F49-V94 VanDerWaalsContact CE1-CB 3.43Å; F49-V94 HydrophobicContact CE1-CG1 3.42Å; F49-V94 VanDerWaalsContact CE1-CG1 3.42Å; F49-V94 HydrophobicContact CE1-CG2 4.18Å; F49-V94 HydrophobicContact CE2-CB 4.39Å; F49-V94 HydrophobicContact CE2-CG2 4.37Å; F49-V94 HydrophobicContact CZ-CB 3.74Å; F49-V94 HydrophobicContact CZ-CG1 3.86Å; F49-V94 HydrophobicContact CZ-CG2 3.96Å; F49-V94 PolarHBondContact N-O 2.87Å; F49-V94 PolarHBondContact O-N 2.72Å; F49-M107 HydrophobicContact CB-CE 4.42Å; F49-M107 HydrophobicContact CD1-CE 3.8Å; F49-M107 HydrophobicContact CD2-CE 3.87Å; F49-M107 HydrophobicContact CE1-CE 3.89Å; F49-M107 HydrophobicContact CE2-CE 3.93Å; F49-M107 HydrophobicContact CG-CE 3.77Å; F49-M107 HydrophobicContact CG-SD 4.48Å; F49-M107 HydrophobicContact CZ-CE 3.95Å; F49-F110 AromaticContact CD1-CD1 3.76Å; F49-F110 HydrophobicContact CD1-CD1 3.76Å; F49-F110 AromaticContact CD1-CD2 3.9Å; F49-F110 HydrophobicContact CD1-CD2 3.9Å; F49-F110 AromaticContact CD1-CE1 3.72Å; F49-F110 HydrophobicContact CD1-CE1 3.72Å; F49-F110 AromaticContact CD1-CE2 3.89Å; F49-F110 HydrophobicContact CD1-CE2 3.89Å; F49-F110 AromaticContact CD1-CG 3.83Å; F49-F110 HydrophobicContact CD1-CG 3.83Å; F49-F110 AromaticContact CD1-CZ 3.79Å; F49-F110 HydrophobicContact CD1-CZ 3.79Å; F49-F110 HydrophobicContact CE1-CB 3.78Å; F49-F110 AromaticContact CE1-CD1 3.51Å; F49-F110 HydrophobicContact CE1-CD1 3.51Å; F49-F110 AromaticContact CE1-CD2 3.9Å; F49-F110 HydrophobicContact CE1-CD2 3.9Å; F49-F110 AromaticContact CE1-CE1 3.98Å; F49-F110 HydrophobicContact CE1-CE1 3.98Å; F49-F110 HydrophobicContact CE1-CE2 4.35Å; F49-F110 AromaticContact CE1-CG 3.45Å; F49-F110 HydrophobicContact CE1-CG 3.45Å; F49-F110 VanDerWaalsContact CE1-CG 3.45Å; F49-F110 HydrophobicContact CE1-CZ 4.38Å
50V97.5Very high96.3Very high17 Ų1740.2 Ų40.210%0.10323%0.225CC..EExtended strand (participates in β ladder)trans-107.3126.1-175.9-172.70000109.5Y48 I52 V60 S63 I75 F91 T92 I93Y48-V50 HydrophobicContact CD2-CG2 4.31Å; Y48-V50 HydrophobicContact CE2-CG2 4.45Å; V50-I52 HydrophobicContact CG1-CG1 4.3Å; V50-V60 HydrophobicContact CB-CG1 4.01Å; V50-V60 HydrophobicContact CG1-CG1 4.05Å; V50-V60 HydrophobicContact CG1-CG2 4.45Å; V50-V60 HydrophobicContact CG2-CG1 4.02Å; V50-S63 PolarHBondContact N-O 3.43Å; V50-I75 HydrophobicContact CG2-CD1 4.08Å; V50-I75 HydrophobicContact CG2-CG2 4.47Å; V50-F91 HydrophobicContact CG1-CB 3.99Å; V50-F91 HydrophobicContact CG1-CD2 3.95Å; V50-F91 HydrophobicContact CG1-CG 4.37Å; V50-T92 CarbonylContact C-O 3.58Å; V50-T92 WeakPolarHBondContact CA-O 3.47Å; V50-I93 HydrophobicContact CG2-CG1 4.34Å
51K96.5Very high96.2Very high99 Ų9944.2 Ų44.243%0.4325%0.249SC..EExtended strand (participates in β ladder)trans-99.1145.6166.3-63-174.9179.9179.90109F49 F91 T92 V94F49-K51 HydrophobicContact CD2-CG 4.12Å; F49-K51 HydrophobicContact CE2-CD 3.99Å; F49-K51 HydrophobicContact CE2-CG 3.55Å; F49-K51 HydrophobicContact CZ-CD 4.47Å; F49-K51 VanDerWaalsContact CZ-CE 3.41Å; F49-K51 HydrophobicContact CZ-CG 4.42Å; K51-F91 CarbonylContact O-C 3.56Å; K51-F91 WeakPolarHBondContact O-CA 3.41Å; K51-F91 WeakPolarHBondContact O-CB 3.48Å; K51-T92 PolarHBondContact N-O 2.77Å; K51-T92 PolarHBondContact O-N 3.38Å; K51-V94 HydrophobicContact CD-CG2 4.35Å; K51-V94 HydrophobicContact CG-CG2 4.45Å
52I95.3Very high96.2Very high38 Ų3843.5 Ų43.520%0.19525%0.245CC..EExtended strand (participates in β ladder)trans-131.9143179.6-46.1159.9000107.6V50 R54 F58 V60 F91V50-I52 HydrophobicContact CG1-CG1 4.3Å; I52-R54 VanDerWaalsContact C-N 3.33Å; I52-R54 PolarHBondContact O-N 2.93Å; I52-F58 HydrophobicContact CD1-CB 4.41Å; I52-F58 HydrophobicContact CG2-CB 4.1Å; I52-F58 HydrophobicContact CG2-CD2 4.2Å; I52-F58 HydrophobicContact CG2-CG 4.36Å; I52-V60 HydrophobicContact CD1-CB 3.96Å; I52-V60 HydrophobicContact CD1-CG2 3.26Å; I52-V60 HydrophobicContact CG1-CG2 3.84Å; I52-F91 HydrophobicContact CG1-CB 4.31Å
53T94.9Very high96.2Very high70 Ų7046.2 Ų46.243%0.42926%0.264SS..SBendtrans-66.2-32.9178.246.20000113.6R90T53-R90 HydrophobicContact CG2-CG 3.46Å; T53-R90 VanDerWaalsContact CG2-CG 3.46Å; T53-R90 PolarHBondContact N-O 2.67Å; T53-R90 VanDerWaalsContact N-O 3.13Å; T53-R90 PolarHBondContact OG1-N 2.78Å; T53-R90 PolarHBondContact OG1-O 3.23Å
54R93.5Very high96.3Very high29 Ų2946.5 Ų46.511%0.10925%0.253CS..  trans-127.174.1-179.1-63.6170.273-168-3.2111.1I52 N56 D57 F58 L84 R86 D89I52-R54 VanDerWaalsContact C-N 3.33Å; I52-R54 PolarHBondContact O-N 2.93Å; R54-N56 PolarHBondContact O-N 2.87Å; R54-N56 VanDerWaalsContact O-N 3.09Å; R54-D57 HydrophobicContact CB-CB 3.95Å; R54-D57 IonicContact CZ-OD2 3.04Å; R54-D57 IonicContact NE-OD2 3.56Å; R54-D57 PolarHBondContact NE-OD2 2.88Å; R54-D57 IonicContact NH2-OD2 3.36Å; R54-D57 PolarHBondContact NH2-OD2 3.17Å; R54-D57 PolarHBondContact O-N 2.91Å; R54-F58 HydrophobicContact CB-CD2 4.05Å; R54-F58 HydrophobicContact CB-CE2 4.15Å; R54-F58 WeakPolarHBondContact O-CD2 3.18Å; R54-F58 PolarHBondContact O-N 2.79Å; R54-L84 PolarHBondContact NH1-O 2.98Å; R54-R86 VanDerWaalsContact NH1-CD 3.29Å; R54-R86 VanDerWaalsContact NH1-CG 3.27Å; R54-D89 WeakPolarHBondContact CD-OD1 3.29Å; R54-D89 IonicContact NE-OD1 2.76Å; R54-D89 IonicContact NH1-OD1 3.11Å; R54-D89 IonicContact NH1-OD2 3.95Å; R54-D89 PolarHBondContact NH1-OD2 2.75Å
55P94Very high96.3Very high85 Ų8544.7 Ų44.755%0.55225%0.248SC*.THydrogen-bonded Turntrans-63.1-19.2-176.127-35.9000113.8D57 F58P55-D57 VanDerWaalsContact C-N 3.31Å; P55-F58 VanDerWaalsContact O-O 3.14Å
56N94.8Very high96.4Very high127 Ų12745.7 Ų45.768%0.67925%0.253SS*.THydrogen-bonded Turntrans-77.2-18.8174.7-68.9-23.4000113.1R54 K80R54-N56 PolarHBondContact O-N 2.87Å; R54-N56 VanDerWaalsContact O-N 3.09Å; N56-K80 VanDerWaalsContact O-CD 3.25Å; N56-K80 WeakPolarHBondContact O-CD 3.29Å; N56-K80 WeakPolarHBondContact O-CE 3.47Å; N56-K80 PolarHBondContact O-NZ 2.75Å
57D94.9Very high96.4Very high39 Ų3945.7 Ų45.721%0.20925%0.253CS..THydrogen-bonded Turntrans-109.5-18.4-170.6-66.1-31.8000112.8R54 P55 K80 V83R54-D57 HydrophobicContact CB-CB 3.95Å; R54-D57 IonicContact CZ-OD2 3.04Å; R54-D57 IonicContact NE-OD2 3.56Å; R54-D57 PolarHBondContact NE-OD2 2.88Å; R54-D57 IonicContact NH2-OD2 3.36Å; R54-D57 PolarHBondContact NH2-OD2 3.17Å; R54-D57 PolarHBondContact O-N 2.91Å; P55-D57 VanDerWaalsContact C-N 3.31Å; D57-K80 WeakPolarHBondContact O-CB 3.36Å; D57-K80 WeakPolarHBondContact O-CG 3.3Å; D57-K80 PolarHBondContact O-N 3Å; D57-V83 HydrophobicContact CB-CB 4.45Å; D57-V83 HydrophobicContact CB-CG1 3.69Å; D57-V83 HydrophobicContact CB-CG2 3.88Å
58F95.4Very high96.3Very high4 Ų449 Ų492%0.01827%0.269CS..EExtended strand (participates in β ladder)trans-125.9150.6179.8-62-90.3000111.2L24 I52 R54 P55 I77 S78 R79 D89 I122L24-F58 HydrophobicContact CD1-CD1 4.46Å; L24-F58 HydrophobicContact CD1-CE1 3.73Å; I52-F58 HydrophobicContact CD1-CB 4.41Å; I52-F58 HydrophobicContact CG2-CB 4.1Å; I52-F58 HydrophobicContact CG2-CD2 4.2Å; I52-F58 HydrophobicContact CG2-CG 4.36Å; R54-F58 HydrophobicContact CB-CD2 4.05Å; R54-F58 HydrophobicContact CB-CE2 4.15Å; R54-F58 WeakPolarHBondContact O-CD2 3.18Å; R54-F58 PolarHBondContact O-N 2.79Å; P55-F58 VanDerWaalsContact O-O 3.14Å; F58-I77 HydrophobicContact CD1-CG2 4.47Å; F58-S78 CarbonylContact C-O 3.48Å; F58-S78 VanDerWaalsContact CA-O 3.31Å; F58-S78 WeakPolarHBondContact CA-O 3.38Å; F58-R79 HydrophobicContact CD1-CB 3.86Å; F58-R79 HydrophobicContact CD1-CG 4.24Å; F58-R79 HydrophobicContact CE1-CB 3.73Å; F58-R79 HydrophobicContact CE1-CG 3.83Å; F58-R79 HydrophobicContact CZ-CG 4.34Å; F58-D89 HydrophobicContact CE2-CB 4.27Å; F58-D89 HydrophobicContact CZ-CB 4.09Å; F58-D89 WeakPolarHBondContact CZ-OD2 3.45Å; F58-I122 HydrophobicContact CD1-CD1 4.16Å; F58-I122 HydrophobicContact CE1-CD1 3.8Å; F58-I122 HydrophobicContact CE1-CG2 4.44Å; F58-I122 HydrophobicContact CZ-CD1 4.04Å
59V95.7Very high96.3Very high54 Ų5450.8 Ų50.833%0.32728%0.28SS..EExtended strand (participates in β ladder)trans-120.4133.7173.3179.20000107.8W31 V61 S78W31-V59 HydrophobicContact CH2-CG2 3.88Å; W31-V59 HydrophobicContact CZ3-CB 4.35Å; W31-V59 HydrophobicContact CZ3-CG2 3.83Å; V59-V61 HydrophobicContact CG1-CG2 4.05Å; V59-S78 PolarHBondContact N-O 2.92Å; V59-S78 PolarHBondContact O-N 2.96Å
60V96.8Very high96.2Very high13 Ų1354.4 Ų54.48%0.07931%0.309CS..EExtended strand (participates in β ladder)trans-122.7127.4178.3175.90000110.2V50 I52 S63 I75 R76 I77V50-V60 HydrophobicContact CB-CG1 4.01Å; V50-V60 HydrophobicContact CG1-CG1 4.05Å; V50-V60 HydrophobicContact CG1-CG2 4.45Å; V50-V60 HydrophobicContact CG2-CG1 4.02Å; I52-V60 HydrophobicContact CD1-CB 3.96Å; I52-V60 HydrophobicContact CD1-CG2 3.26Å; I52-V60 HydrophobicContact CG1-CG2 3.84Å; V60-S63 PolarHBondContact O-N 3.17Å; V60-I75 HydrophobicContact CG1-CG2 3.47Å; V60-I75 VanDerWaalsContact CG1-CG2 3.47Å; V60-R76 CarbonylContact C-O 3.6Å; V60-R76 VanDerWaalsContact CA-O 3.29Å; V60-R76 WeakPolarHBondContact CA-O 3.25Å; V60-I77 HydrophobicContact CG1-CG1 4.48Å; V60-I77 HydrophobicContact CG2-CB 4.38Å; V60-I77 HydrophobicContact CG2-CG1 3.93Å; V60-I77 HydrophobicContact CG2-CG2 4.19Å
61V97Very high96.2Very high85 Ų8556.3 Ų56.352%0.51532%0.319SS..EExtended strand (participates in β ladder)trans-135.7122.3-177.2-176.50000110.6V59 R76V59-V61 HydrophobicContact CG1-CG2 4.05Å; V61-R76 PolarHBondContact N-O 3.39Å; V61-R76 PolarHBondContact O-N 2.93Å
62P97.3Very high96.3Very high47 Ų4754.1 Ų54.131%0.30531%0.314SS..SBendcis-68.7141.1-15.530.2-37.9000112.1Y48 Q74Y48-P62 WeakPolarHBondContact OH-CG 3.22Å; P62-Q74 WeakPolarHBondContact CD-O 3.22Å
63S96.1Very high96.4Very high65 Ų6556.3 Ų56.346%0.45532%0.322SS..SBendtrans-77.8-23.2174.9610000113F49 V50 V60F49-S63 CarbonylContact C-O 3.51Å; F49-S63 VanDerWaalsContact CA-O 3.29Å; F49-S63 WeakPolarHBondContact CA-O 3.47Å; V50-S63 PolarHBondContact N-O 3.43Å; V60-S63 PolarHBondContact O-N 3.17Å
64K97.2Very high96.5Very high103 Ų10357 Ų5745%0.44832%0.32SS..EExtended strand (participates in β ladder)trans-150.3149.3173.169.9-170.6-176.479.80109.7Y48 F49 M107Y48-K64 CarbonylContact O-C 3.47Å; Y48-K64 VanDerWaalsContact O-CA 3.22Å; Y48-K64 WeakPolarHBondContact O-CA 3.19Å; Y48-K64 WeakPolarHBondContact O-CB 3.28Å; F49-K64 HydrophobicContact CB-CB 3.74Å; K64-M107 HydrophobicContact CD-SD 4.49Å
65G97.2Very high96.6Very high15 Ų1555.6 Ų55.616%0.15532%0.315CS..EExtended strand (participates in β ladder)trans178.4-166.7-179.400000112.8Y48 V105Y48-G65 WeakPolarHBondContact CD1-O 3.27Å; Y48-G65 WeakPolarHBondContact CE1-O 3.29Å; Y48-G65 PolarHBondContact N-O 2.88Å; Y48-G65 PolarHBondContact O-N 2.84Å; G65-V105 VanDerWaalsContact O-CG2 3.29Å; G65-V105 WeakPolarHBondContact O-CG2 3.46Å
66F97.9Very high96.7Very high38 Ų3857.6 Ų57.617%0.16731%0.311CS..EExtended strand (participates in β ladder)trans-114.8150.9174.2-64.5-62.1000111.1K45 V46 A47 I98 A102 R104 V105 W109K45-F66 HydrophobicContact CD-CB 3.7Å; K45-F66 HydrophobicContact CD-CD1 3.51Å; K45-F66 HydrophobicContact CD-CD2 4.09Å; K45-F66 HydrophobicContact CD-CE1 4.06Å; K45-F66 HydrophobicContact CD-CG 3.52Å; K45-F66 HydrophobicContact CG-CB 3.94Å; K45-F66 HydrophobicContact CG-CD1 3.94Å; K45-F66 HydrophobicContact CG-CG 4.14Å; V46-F66 CarbonylContact O-C 3.55Å; V46-F66 WeakPolarHBondContact O-CA 3.23Å; A47-F66 HydrophobicContact CB-CD1 3.88Å; A47-F66 HydrophobicContact CB-CE1 3.7Å; F66-I98 HydrophobicContact CD1-CG2 4.41Å; F66-I98 HydrophobicContact CE1-CG2 3.97Å; F66-A102 HydrophobicContact CE1-CB 4.41Å; F66-A102 HydrophobicContact CZ-CB 4.09Å; F66-R104 WeakPolarHBondContact CZ-O 3.41Å; F66-V105 HydrophobicContact CD1-CG2 3.99Å; F66-V105 HydrophobicContact CD2-CG2 4.35Å; F66-V105 HydrophobicContact CE1-CG2 3.73Å; F66-V105 HydrophobicContact CE2-CG2 4.13Å; F66-V105 HydrophobicContact CG-CG2 4.3Å; F66-V105 HydrophobicContact CZ-CB 4.49Å; F66-V105 HydrophobicContact CZ-CG2 3.83Å; F66-V105 VanDerWaalsContact CZ-N 3.34Å; F66-W109 AromaticContact CE1-CZ3 3.99Å; F66-W109 HydrophobicContact CE1-CZ3 3.99Å; F66-W109 HydrophobicContact CZ-CH2 4.37Å; F66-W109 HydrophobicContact CZ-CZ3 4.14Å
67V98Very high96.7Very high0 Ų051.6 Ų51.60%028%0.279CS..EExtended strand (participates in β ladder)trans-120.4117163.4-167.80000106.8I38 N40 V46 Y48 D71 K73I38-V67 HydrophobicContact CD1-CG2 3.5Å; I38-V67 HydrophobicContact CG1-CG2 3.93Å; N40-V67 HydrophobicContact CB-CB 3.97Å; N40-V67 HydrophobicContact CB-CG1 3.53Å; N40-V67 PolarHBondContact ND2-O 2.85Å; N40-V67 VanDerWaalsContact ND2-O 3.17Å; V46-V67 HydrophobicContact CB-CB 4.44Å; V46-V67 PolarHBondContact N-O 3.26Å; V46-V67 PolarHBondContact O-N 2.88Å; Y48-V67 HydrophobicContact CD1-CG2 3.81Å; Y48-V67 HydrophobicContact CE1-CG2 3.66Å; V67-D71 HydrophobicContact CG1-CB 4.45Å; V67-D71 VanDerWaalsContact CG1-O 3.25Å; V67-D71 WeakPolarHBondContact CG1-O 3.33Å; V67-K73 HydrophobicContact CB-CG 4.44Å; V67-K73 HydrophobicContact CG1-CG 4.2Å; V67-K73 HydrophobicContact CG2-CB 4.15Å; V67-K73 HydrophobicContact CG2-CG 4.08Å
68E97.8Very high96.6Very high71 Ų7150.6 Ų50.633%0.33228%0.276SS..  trans-66.1160.3-180-63.4-59.1155.900110.9N40 K45 S70 D71N40-E68 WeakPolarHBondContact CB-O 3.43Å; N40-E68 PolarHBondContact ND2-O 2.84Å; K45-E68 VanDerWaalsContact CE-OE1 3.28Å; K45-E68 WeakPolarHBondContact CE-OE1 3.29Å; K45-E68 WeakPolarHBondContact CE-OE2 3.22Å; K45-E68 IonicContact NZ-OE1 3.57Å; K45-E68 PolarHBondContact NZ-OE1 2.82Å; K45-E68 IonicContact NZ-OE2 2.75Å; K45-E68 PolarHBondContact NZ-OE2 3.36Å; E68-S70 PolarHBondContact O-N 3.41Å; E68-D71 HydrophobicContact CB-CB 3.86Å; E68-D71 WeakPolarHBondContact O-CB 3.33Å; E68-D71 PolarHBondContact O-N 3.45Å; E68-D71 VanDerWaalsContact O-N 3.09Å
69P97.4Very high96.5Very high40 Ų4050.4 Ų50.426%0.2628%0.275SS..THydrogen-bonded Turntrans-52.8131.9175.1-2634.6000111.9N42 S43 D71N42-P69 WeakPolarHBondContact O-CA 3.4Å; N42-P69 WeakPolarHBondContact O-CB 3.46Å; S43-P69 VanDerWaalsContact O-CG 3.27Å; S43-P69 WeakPolarHBondContact O-CG 3.41Å; P69-D71 PolarHBondContact O-N 2.75Å
70S96Very high96.4Very high104 Ų10451.3 Ų51.373%0.72727%0.274SS*.THydrogen-bonded Turntrans58.514.7-178.4-53.80000115.2N40 E68N40-S70 WeakPolarHBondContact O-CA 3.4Å; N40-S70 PolarHBondContact O-N 3.37Å; E68-S70 PolarHBondContact O-N 3.41Å
71D97.7Very high96.3Very high56 Ų5652.6 Ų52.630%0.29928%0.283SS..  trans-98.7160.7179.1-169.326.1000111.6T39 N40 V67 E68 P69 K73T39-D71 WeakPolarHBondContact CA-O 3.18Å; N40-D71 PolarHBondContact N-O 3.09Å; V67-D71 HydrophobicContact CG1-CB 4.45Å; V67-D71 VanDerWaalsContact CG1-O 3.25Å; V67-D71 WeakPolarHBondContact CG1-O 3.33Å; E68-D71 HydrophobicContact CB-CB 3.86Å; E68-D71 WeakPolarHBondContact O-CB 3.33Å; E68-D71 PolarHBondContact O-N 3.45Å; E68-D71 VanDerWaalsContact O-N 3.09Å; P69-D71 PolarHBondContact O-N 2.75Å; D71-K73 IonicContact OD2-NZ 2.72Å; D71-K73 PolarHBondContact OD2-NZ 3.09Å
72T97.6Very high96Very high54 Ų5454.5 Ų54.533%0.33129%0.29SS..EExtended strand (participates in β ladder)trans-120.2134.8174.9-59.20000110.5Q37 I38 T39Q37-T72 HydrophobicContact CB-CG2 4.05Å; Q37-T72 HydrophobicContact CG-CG2 4.48Å; I38-T72 CarbonylContact O-C 3.48Å; I38-T72 WeakPolarHBondContact O-CA 3.43Å; T39-T72 WeakPolarHBondContact CB-OG1 3.29Å; T39-T72 WeakPolarHBondContact CG2-OG1 3.25Å; T39-T72 WeakPolarHBondContact OG1-CG2 3.13Å; T39-T72 PolarHBondContact OG1-OG1 2.81Å
73K97Very high95.5Very high83 Ų8352.8 Ų52.836%0.36128%0.279SS..EExtended strand (participates in β ladder)trans-121.7144.9174.8-72.3-67-173.1-106.60111.4Q37 I38 V67 D71Q37-K73 CarbonylContact C-O 3.51Å; Q37-K73 WeakPolarHBondContact CA-O 3Å; I38-K73 HydrophobicContact CG1-CB 4.16Å; I38-K73 PolarHBondContact N-O 2.96Å; I38-K73 PolarHBondContact O-N 2.75Å; V67-K73 HydrophobicContact CB-CG 4.44Å; V67-K73 HydrophobicContact CG1-CG 4.2Å; V67-K73 HydrophobicContact CG2-CB 4.15Å; V67-K73 HydrophobicContact CG2-CG 4.08Å; D71-K73 IonicContact OD2-NZ 2.72Å; D71-K73 PolarHBondContact OD2-NZ 3.09Å
74Q96.9Very high95.1Very high84 Ų8456 Ų5639%0.39329%0.29SS..EExtended strand (participates in β ladder)trans-95.1133.8172.9-72177.7-2.900110.4L36 Q37 P62L36-Q74 CarbonylContact O-C 3.48Å; L36-Q74 WeakPolarHBondContact O-CA 3.38Å; Q37-Q74 HydrophobicContact CG-CG 3.96Å; P62-Q74 WeakPolarHBondContact CD-O 3.22Å
75I96.9Very high94.6Very high0 Ų053.4 Ų53.40%028%0.284CS..EExtended strand (participates in β ladder)trans-113.4119.1169.7-62.3175.8000107.1L36 I38 Y48 V50 V60 I77 I93L36-I75 PolarHBondContact N-O 3.07Å; L36-I75 PolarHBondContact O-N 3.35Å; I38-I75 HydrophobicContact CD1-CD1 3.65Å; I38-I75 HydrophobicContact CD1-CG1 4.33Å; I38-I75 HydrophobicContact CG1-CD1 4.14Å; I38-I75 HydrophobicContact CG1-CG1 4.47Å; I38-I75 HydrophobicContact CG2-CD1 4.3Å; Y48-I75 HydrophobicContact CD2-CD1 4.16Å; Y48-I75 HydrophobicContact CE2-CD1 3.65Å; Y48-I75 HydrophobicContact CE2-CG1 4.2Å; V50-I75 HydrophobicContact CG2-CD1 4.08Å; V50-I75 HydrophobicContact CG2-CG2 4.47Å; V60-I75 HydrophobicContact CG1-CG2 3.47Å; V60-I75 VanDerWaalsContact CG1-CG2 3.47Å; I75-I77 HydrophobicContact CG2-CG1 4.28Å; I75-I93 HydrophobicContact CD1-CD1 3.97Å
76R95.7Very high94.2Very high127 Ų12759.1 Ų59.148%0.47930%0.3SS..EExtended strand (participates in β ladder)trans-90.7130.1174.1-63.2-172.6172.6147.83.4109.8T33 V34 E35 V60 V61T33-R76 HydrophobicContact CG2-CB 4.02Å; T33-R76 HydrophobicContact CG2-CG 4.47Å; V34-R76 WeakPolarHBondContact O-CA 3.32Å; E35-R76 HydrophobicContact CG-CG 4.18Å; E35-R76 IonicContact OE1-CZ 3.38Å; E35-R76 IonicContact OE1-NE 2.75Å; E35-R76 PolarHBondContact OE1-NE 3.48Å; E35-R76 IonicContact OE1-NH2 2.78Å; E35-R76 PolarHBondContact OE1-NH2 2.77Å; E35-R76 VanDerWaalsContact OE1-NH2 3.11Å; V60-R76 CarbonylContact C-O 3.6Å; V60-R76 VanDerWaalsContact CA-O 3.29Å; V60-R76 WeakPolarHBondContact CA-O 3.25Å; V61-R76 PolarHBondContact N-O 3.39Å; V61-R76 PolarHBondContact O-N 2.93Å
77I94Very high93.7Very high1 Ų166.1 Ų66.11%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-118.9113.7176.4-58.8148.8000106.8I22 T33 V34 L36 F58 V60 I75 F91I22-I77 HydrophobicContact CD1-CB 4.33Å; I22-I77 HydrophobicContact CD1-CD1 3.77Å; I22-I77 HydrophobicContact CD1-CG2 4.14Å; T33-I77 WeakPolarHBondContact CA-O 3.38Å; V34-I77 HydrophobicContact CG1-CB 4.03Å; V34-I77 PolarHBondContact N-O 2.77Å; V34-I77 PolarHBondContact O-N 3.07Å; L36-I77 HydrophobicContact CB-CD1 4.33Å; F58-I77 HydrophobicContact CD1-CG2 4.47Å; V60-I77 HydrophobicContact CG1-CG1 4.48Å; V60-I77 HydrophobicContact CG2-CB 4.38Å; V60-I77 HydrophobicContact CG2-CG1 3.93Å; V60-I77 HydrophobicContact CG2-CG2 4.19Å; I75-I77 HydrophobicContact CG2-CG1 4.28Å; I77-F91 HydrophobicContact CD1-CD1 3.74Å; I77-F91 HydrophobicContact CD1-CD2 4.32Å; I77-F91 HydrophobicContact CD1-CE1 3.25Å; I77-F91 HydrophobicContact CD1-CE2 3.9Å; I77-F91 HydrophobicContact CD1-CG 4.24Å; I77-F91 HydrophobicContact CD1-CZ 3.31Å; I77-F91 HydrophobicContact CG1-CE1 4.48Å
78S93.3Very high93.4Very high19 Ų1971.2 Ų71.213%0.13336%0.358CS..EExtended strand (participates in β ladder)trans-113124-176.9-55.20000109.8T32 T33 F58 V59T32-S78 CarbonylContact O-C 3.54Å; T32-S78 VanDerWaalsContact O-CA 3.32Å; T32-S78 WeakPolarHBondContact O-CA 3.4Å; T33-S78 WeakPolarHBondContact CG2-OG 3.19Å; T33-S78 WeakPolarHBondContact OG1-CB 3.18Å; T33-S78 PolarHBondContact OG1-OG 3.28Å; F58-S78 CarbonylContact C-O 3.48Å; F58-S78 VanDerWaalsContact CA-O 3.31Å; F58-S78 WeakPolarHBondContact CA-O 3.38Å; V59-S78 PolarHBondContact N-O 2.92Å; V59-S78 PolarHBondContact O-N 2.96Å
79R93.2Very high93.2Very high0 Ų068 Ų680%034%0.342CS..EExtended strand (participates in β ladder)trans-84.6136.3168.7-177.8-168.561.4-160.6-16.2109.7L24 E25 W31 T32 F58 V83 H124L24-R79 HydrophobicContact CD1-CB 3.72Å; L24-R79 HydrophobicContact CD1-CG 4.5Å; E25-R79 PolarHBondContact O-NH2 2.94Å; W31-R79 WeakPolarHBondContact CA-O 3.41Å; W31-R79 VanDerWaalsContact CE3-O 3.27Å; T32-R79 PolarHBondContact N-O 3.26Å; T32-R79 PolarHBondContact O-N 3.13Å; T32-R79 PolarHBondContact OG1-NH2 2.98Å; F58-R79 HydrophobicContact CD1-CB 3.86Å; F58-R79 HydrophobicContact CD1-CG 4.24Å; F58-R79 HydrophobicContact CE1-CB 3.73Å; F58-R79 HydrophobicContact CE1-CG 3.83Å; F58-R79 HydrophobicContact CZ-CG 4.34Å; R79-V83 HydrophobicContact CG-CB 4.05Å; R79-V83 HydrophobicContact CG-CG1 4.22Å; R79-H124 PolarHBondContact NH1-ND1 2.82Å
80K94.4Very high93Very high73 Ų7370.4 Ų70.432%0.31735%0.347SS..PPolyproline II helixtrans-67.2150.3174.4-68.9-178.9-176.4-179.80112.1W31 N56 D57 V83W31-K80 HydrophobicContact CE3-CG 4.44Å; W31-K80 HydrophobicContact CH2-CB 4.36Å; W31-K80 HydrophobicContact CH2-CD 4.36Å; W31-K80 HydrophobicContact CH2-CG 3.46Å; W31-K80 VanDerWaalsContact CH2-CG 3.46Å; W31-K80 HydrophobicContact CZ2-CG 4.11Å; W31-K80 HydrophobicContact CZ3-CB 4.34Å; W31-K80 HydrophobicContact CZ3-CG 3.62Å; N56-K80 VanDerWaalsContact O-CD 3.25Å; N56-K80 WeakPolarHBondContact O-CD 3.29Å; N56-K80 WeakPolarHBondContact O-CE 3.47Å; N56-K80 PolarHBondContact O-NZ 2.75Å; D57-K80 WeakPolarHBondContact O-CB 3.36Å; D57-K80 WeakPolarHBondContact O-CG 3.3Å; D57-K80 PolarHBondContact O-N 3Å; K80-V83 HydrophobicContact CB-CG2 3.73Å; K80-V83 WeakPolarHBondContact O-CG2 3.25Å
81P93.7Very high93Very high39 Ų3965.5 Ų65.525%0.25331%0.312SS..THydrogen-bonded Turntrans-49.3143.6166.7-31.938.2000112.9T29 W31 V83T29-P81 WeakPolarHBondContact O-CB 3.4Å; W31-P81 HydrophobicContact CD2-CG 4.33Å; W31-P81 VanDerWaalsContact CE2-CD 3.46Å; W31-P81 HydrophobicContact CG-CG 4.02Å; P81-V83 PolarHBondContact O-N 2.72Å; P81-V83 VanDerWaalsContact O-N 3.11Å
82N90Very high92.9Very high125 Ų12564.1 Ų64.167%0.66831%0.306SS*.THydrogen-bonded Turntrans61.118.1172.2-51.8-55.9000114.9F28F28-N82 WeakPolarHBondContact O-CA 3.36Å; F28-N82 PolarHBondContact O-N 2.81Å
83V88.2Confident92.9Very high11 Ų1161.6 Ų61.67%0.06729%0.29CS..PPolyproline II helixtrans-83.4120.5170.1170.50000109.1D57 R79 K80 P81D57-V83 HydrophobicContact CB-CB 4.45Å; D57-V83 HydrophobicContact CB-CG1 3.69Å; D57-V83 HydrophobicContact CB-CG2 3.88Å; R79-V83 HydrophobicContact CG-CB 4.05Å; R79-V83 HydrophobicContact CG-CG1 4.22Å; K80-V83 HydrophobicContact CB-CG2 3.73Å; K80-V83 WeakPolarHBondContact O-CG2 3.25Å; P81-V83 PolarHBondContact O-N 2.72Å; P81-V83 VanDerWaalsContact O-N 3.11Å
84L86.4Confident92.9Very high134 Ų13457.7 Ų57.770%0.70227%0.273SS*.PPolyproline II helixtrans-66.2135.1173.7-65.2177.2000111.1R54R54-L84 PolarHBondContact NH1-O 2.98Å
85P86.8Confident93Very high47 Ų4753.8 Ų53.831%0.30526%0.255SS..PPolyproline II helixtrans-63.6143.5176.229.8-36.7000111.1F28 H124F28-P85 HydrophobicContact CD2-CG 4.45Å; F28-P85 HydrophobicContact CE2-CG 3.89Å; F28-P85 HydrophobicContact CZ-CG 4.35Å; P85-H124 HydrophobicContact CB-CB 3.37Å; P85-H124 WeakPolarHBondContact CB-CD2 3.43Å; P85-H124 WeakPolarHBondContact CB-ND1 3.46Å; P85-H124 HydrophobicContact CG-CB 4.35Å
86R90.4Very high93Very high135 Ų13553.8 Ų53.851%0.50926%0.255SS..  trans-131.7145.1171.4-71.3-177.2-169.3179.30.4110.5R54 E88 D89R54-R86 VanDerWaalsContact NH1-CD 3.29Å; R54-R86 VanDerWaalsContact NH1-CG 3.27Å; R86-E88 PolarHBondContact O-N 2.86Å; R86-D89 PolarHBondContact N-OD2 2.81Å; R86-D89 WeakPolarHBondContact O-CB 3.2Å; R86-D89 PolarHBondContact O-N 2.79Å
87E87.5Confident93.1Very high185 Ų18547.8 Ų47.886%0.86423%0.232SC*.THydrogen-bonded Turntrans-69.4-23.1-179.9-64.2-171.6170.500112.3D89E87-D89 VanDerWaalsContact C-N 3.26Å; E87-D89 PolarHBondContact O-N 2.75Å
88E90.6Very high93.2Very high108 Ų10847.7 Ų47.751%0.50523%0.232SC..THydrogen-bonded Turntrans-81.9-6179.6-54.377.1-167.100113.4R86 R90R86-E88 PolarHBondContact O-N 2.86Å; E88-R90 PolarHBondContact O-N 2.71Å; E88-R90 PolarHBondContact O-NE 2.95Å
89D92.8Very high93.1Very high2 Ų249.9 Ų49.91%0.01124%0.242CC..  trans-63117.8-176.8-71.7-12.3000109.9R54 F58 R86 E87 I122 H124R54-D89 WeakPolarHBondContact CD-OD1 3.29Å; R54-D89 IonicContact NE-OD1 2.76Å; R54-D89 IonicContact NH1-OD1 3.11Å; R54-D89 IonicContact NH1-OD2 3.95Å; R54-D89 PolarHBondContact NH1-OD2 2.75Å; F58-D89 HydrophobicContact CE2-CB 4.27Å; F58-D89 HydrophobicContact CZ-CB 4.09Å; F58-D89 WeakPolarHBondContact CZ-OD2 3.45Å; R86-D89 PolarHBondContact N-OD2 2.81Å; R86-D89 WeakPolarHBondContact O-CB 3.2Å; R86-D89 PolarHBondContact O-N 2.79Å; E87-D89 VanDerWaalsContact C-N 3.26Å; E87-D89 PolarHBondContact O-N 2.75Å; D89-I122 HydrophobicContact CB-CB 3.96Å; D89-I122 HydrophobicContact CB-CD1 4.34Å; D89-I122 HydrophobicContact CB-CG1 4.43Å; D89-I122 WeakPolarHBondContact O-CB 3.47Å; D89-I122 PolarHBondContact O-N 2.8Å; D89-H124 IonicContact OD2-NE2 3.37Å; D89-H124 PolarHBondContact OD2-NE2 2.78Å
90R94.9Very high93.1Very high92 Ų9253.4 Ų53.435%0.34726%0.261SS..EExtended strand (participates in β ladder)trans-154.2156.5-177.568.7-167.485.4-173.91.7109.8T53 E88 L119 V120T53-R90 HydrophobicContact CG2-CG 3.46Å; T53-R90 VanDerWaalsContact CG2-CG 3.46Å; T53-R90 PolarHBondContact N-O 2.67Å; T53-R90 VanDerWaalsContact N-O 3.13Å; T53-R90 PolarHBondContact OG1-N 2.78Å; T53-R90 PolarHBondContact OG1-O 3.23Å; E88-R90 PolarHBondContact O-N 2.71Å; E88-R90 PolarHBondContact O-NE 2.95Å; R90-L119 HydrophobicContact CB-CD1 4.44Å; R90-L119 HydrophobicContact CG-CD1 4.1Å; R90-V120 VanDerWaalsContact CA-O 3.3Å; R90-V120 WeakPolarHBondContact CA-O 3.41Å; R90-V120 WeakPolarHBondContact CB-O 3.37Å
91F94.4Very high93Very high0 Ų057.2 Ų57.20%028%0.28CS..EExtended strand (participates in β ladder)trans-123.2155.1167.267.4-85.3000110.1I22 L36 V50 K51 I52 I77 I93 V120 I122I22-F91 HydrophobicContact CD1-CD1 4.16Å; I22-F91 HydrophobicContact CD1-CE1 3.56Å; I22-F91 HydrophobicContact CG1-CE1 3.92Å; I22-F91 HydrophobicContact CG2-CE1 4.41Å; L36-F91 HydrophobicContact CD1-CZ 4.17Å; L36-F91 HydrophobicContact CD2-CE2 3.64Å; L36-F91 HydrophobicContact CD2-CZ 3.73Å; L36-F91 HydrophobicContact CG-CZ 4.41Å; V50-F91 HydrophobicContact CG1-CB 3.99Å; V50-F91 HydrophobicContact CG1-CD2 3.95Å; V50-F91 HydrophobicContact CG1-CG 4.37Å; K51-F91 CarbonylContact O-C 3.56Å; K51-F91 WeakPolarHBondContact O-CA 3.41Å; K51-F91 WeakPolarHBondContact O-CB 3.48Å; I52-F91 HydrophobicContact CG1-CB 4.31Å; I77-F91 HydrophobicContact CD1-CD1 3.74Å; I77-F91 HydrophobicContact CD1-CD2 4.32Å; I77-F91 HydrophobicContact CD1-CE1 3.25Å; I77-F91 HydrophobicContact CD1-CE2 3.9Å; I77-F91 HydrophobicContact CD1-CG 4.24Å; I77-F91 HydrophobicContact CD1-CZ 3.31Å; I77-F91 HydrophobicContact CG1-CE1 4.48Å; F91-I93 HydrophobicContact CD2-CG1 4.04Å; F91-I93 HydrophobicContact CE2-CD1 3.99Å; F91-I93 HydrophobicContact CE2-CG1 3.91Å; F91-V120 HydrophobicContact CD1-CB 4.03Å; F91-V120 HydrophobicContact CD1-CG1 4.38Å; F91-V120 HydrophobicContact CD2-CB 4.27Å; F91-V120 HydrophobicContact CD2-CG2 4.47Å; F91-V120 HydrophobicContact CE1-CB 3.4Å; F91-V120 HydrophobicContact CE1-CG1 3.4Å; F91-V120 HydrophobicContact CE1-CG2 4.23Å; F91-V120 HydrophobicContact CE2-CB 3.69Å; F91-V120 HydrophobicContact CE2-CG1 4.33Å; F91-V120 HydrophobicContact CE2-CG2 3.66Å; F91-V120 HydrophobicContact CG-CB 4.44Å; F91-V120 HydrophobicContact CZ-CB 3.23Å; F91-V120 HydrophobicContact CZ-CG1 3.39Å; F91-V120 HydrophobicContact CZ-CG2 3.54Å; F91-V120 PolarHBondContact N-O 2.91Å; F91-V120 PolarHBondContact O-N 2.79Å; F91-I122 HydrophobicContact CD1-CD1 4.33Å; F91-I122 HydrophobicContact CD1-CG1 4.24Å
92T96.2Very high92.9Very high28 Ų2855.5 Ų55.517%0.17227%0.269CS..EExtended strand (participates in β ladder)trans-124.7119.1-179.9-51.20000108.4V50 K51 V94 R117 I118 L119V50-T92 CarbonylContact C-O 3.58Å; V50-T92 WeakPolarHBondContact CA-O 3.47Å; K51-T92 PolarHBondContact N-O 2.77Å; K51-T92 PolarHBondContact O-N 3.38Å; T92-V94 HydrophobicContact CG2-CG2 4Å; T92-R117 HydrophobicContact CG2-CB 4.02Å; T92-I118 CarbonylContact C-O 3.56Å; T92-I118 VanDerWaalsContact CA-O 3.25Å; T92-I118 WeakPolarHBondContact CA-O 3.39Å; T92-L119 VanDerWaalsContact OG1-CD1 3.29Å; T92-L119 WeakPolarHBondContact OG1-CD1 3.49Å
93I97Very high93.1Very high0 Ų054.5 Ų54.50%027%0.269CS..EExtended strand (participates in β ladder)trans-87.2115.3169.9-55.2-177.5000107L36 I38 V50 I75 F91 Y95 R117 I118L36-I93 HydrophobicContact CD2-CD1 3.4Å; L36-I93 VanDerWaalsContact CD2-CD1 3.4Å; I38-I93 HydrophobicContact CG2-CD1 3.69Å; V50-I93 HydrophobicContact CG2-CG1 4.34Å; I75-I93 HydrophobicContact CD1-CD1 3.97Å; F91-I93 HydrophobicContact CD2-CG1 4.04Å; F91-I93 HydrophobicContact CE2-CD1 3.99Å; F91-I93 HydrophobicContact CE2-CG1 3.91Å; I93-Y95 HydrophobicContact CG2-CD1 4.34Å; I93-R117 CarbonylContact O-C 3.5Å; I93-R117 WeakPolarHBondContact O-CA 3.3Å; I93-I118 HydrophobicContact CB-CB 4.33Å; I93-I118 PolarHBondContact N-O 3.04Å; I93-I118 PolarHBondContact O-N 3.34Å
94V97.7Very high93.3Very high1 Ų162.4 Ų62.41%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-104124.4176.6-175.30000107.3Y48 F49 K51 T92 F110 E115 K116 R117Y48-V94 CarbonylContact C-O 3.56Å; Y48-V94 VanDerWaalsContact CA-O 3.23Å; Y48-V94 WeakPolarHBondContact CA-O 3.19Å; F49-V94 HydrophobicContact CD1-CB 3.87Å; F49-V94 HydrophobicContact CD1-CG1 4.2Å; F49-V94 HydrophobicContact CE1-CB 3.43Å; F49-V94 VanDerWaalsContact CE1-CB 3.43Å; F49-V94 HydrophobicContact CE1-CG1 3.42Å; F49-V94 VanDerWaalsContact CE1-CG1 3.42Å; F49-V94 HydrophobicContact CE1-CG2 4.18Å; F49-V94 HydrophobicContact CE2-CB 4.39Å; F49-V94 HydrophobicContact CE2-CG2 4.37Å; F49-V94 HydrophobicContact CZ-CB 3.74Å; F49-V94 HydrophobicContact CZ-CG1 3.86Å; F49-V94 HydrophobicContact CZ-CG2 3.96Å; F49-V94 PolarHBondContact N-O 2.87Å; F49-V94 PolarHBondContact O-N 2.72Å; K51-V94 HydrophobicContact CD-CG2 4.35Å; K51-V94 HydrophobicContact CG-CG2 4.45Å; T92-V94 HydrophobicContact CG2-CG2 4Å; V94-F110 HydrophobicContact CG1-CD1 3.95Å; V94-E115 HydrophobicContact CG1-CB 3.84Å; V94-E115 HydrophobicContact CG1-CG 3.35Å; V94-K116 WeakPolarHBondContact CA-O 3.5Å; V94-R117 HydrophobicContact CG1-CG 4.4Å; V94-R117 HydrophobicContact CG2-CG 4.27Å
95Y98.1Very high93.7Very high3 Ų356.7 Ų56.71%0.01227%0.269CS..EExtended strand (participates in β ladder)trans-146.6153.7-170.268.8-82.4000113.1P10 L14 V46 A47 I93 E115 K116 I118P10-Y95 HydrophobicContact CB-CD2 4.38Å; P10-Y95 HydrophobicContact CB-CE2 3.96Å; P10-Y95 HydrophobicContact CG-CD2 3.71Å; P10-Y95 HydrophobicContact CG-CE2 3.66Å; L14-Y95 HydrophobicContact CB-CE2 4.22Å; L14-Y95 HydrophobicContact CD1-CD1 3.87Å; L14-Y95 HydrophobicContact CD1-CD2 3.64Å; L14-Y95 HydrophobicContact CD1-CE1 4.24Å; L14-Y95 HydrophobicContact CD1-CE2 4.04Å; L14-Y95 HydrophobicContact CD1-CG 3.55Å; L14-Y95 HydrophobicContact CG-CD1 4.46Å; L14-Y95 HydrophobicContact CG-CD2 3.64Å; L14-Y95 HydrophobicContact CG-CE1 4.44Å; L14-Y95 HydrophobicContact CG-CE2 3.61Å; L14-Y95 HydrophobicContact CG-CG 4.09Å; L14-Y95 PolarHBondContact N-OH 2.95Å; V46-Y95 HydrophobicContact CG1-CD2 4.01Å; V46-Y95 HydrophobicContact CG1-CG 4.3Å; A47-Y95 VanDerWaalsContact O-CA 3.22Å; A47-Y95 WeakPolarHBondContact O-CA 3.26Å; I93-Y95 HydrophobicContact CG2-CD1 4.34Å; Y95-E115 CarbonylContact O-C 3.53Å; Y95-E115 VanDerWaalsContact O-CA 3.3Å; Y95-E115 WeakPolarHBondContact O-CA 3.43Å; Y95-K116 HydrophobicContact CD1-CB 4.27Å; Y95-K116 WeakPolarHBondContact CD1-O 3.5Å; Y95-K116 HydrophobicContact CD2-CB 4.39Å; Y95-K116 HydrophobicContact CE1-CB 3.63Å; Y95-K116 HydrophobicContact CE2-CB 3.78Å; Y95-K116 HydrophobicContact CE2-CD 4.26Å; Y95-K116 PolarHBondContact N-O 3.44Å; Y95-K116 PolarHBondContact O-N 3.36Å; Y95-K116 WeakPolarHBondContact OH-CB 3.5Å; Y95-I118 HydrophobicContact CD1-CD1 4.35Å; Y95-I118 HydrophobicContact CE1-CD1 3.59Å; Y95-I118 HydrophobicContact CE1-CG1 3.82Å
96L97.8Very high94.1Very high0 Ų057.5 Ų57.50%027%0.27CS..EExtended strand (participates in β ladder)trans-147.8161.9176.355.779.3000110.2P7 V46 A47 I98 W109 F110 E115P7-L96 HydrophobicContact CB-CD1 3.59Å; P7-L96 HydrophobicContact CB-CD2 3.91Å; P7-L96 HydrophobicContact CB-CG 4.28Å; V46-L96 CarbonylContact C-O 3.58Å; V46-L96 WeakPolarHBondContact CA-O 3.34Å; A47-L96 HydrophobicContact CB-CD1 3.99Å; A47-L96 PolarHBondContact N-O 3.19Å; A47-L96 PolarHBondContact O-N 2.87Å; L96-I98 HydrophobicContact CD1-CB 4.19Å; L96-W109 HydrophobicContact CD1-CB 4.28Å; L96-W109 VanDerWaalsContact CD2-C 3.48Å; L96-W109 HydrophobicContact CD2-CB 3.74Å; L96-W109 VanDerWaalsContact CD2-O 3.27Å; L96-W109 WeakPolarHBondContact CD2-O 3.39Å; L96-F110 HydrophobicContact CD2-CD1 3.49Å; L96-F110 VanDerWaalsContact CD2-CD1 3.49Å; L96-F110 HydrophobicContact CD2-CD2 4.43Å; L96-F110 HydrophobicContact CD2-CE1 3.73Å; L96-F110 HydrophobicContact CD2-CG 3.9Å; L96-F110 HydrophobicContact CD2-CZ 4.29Å; L96-F110 HydrophobicContact CG-CD1 3.95Å; L96-F110 HydrophobicContact CG-CE1 3.66Å; L96-F110 HydrophobicContact CG-CZ 4.17Å; L96-E115 HydrophobicContact CB-CB 4.44Å; L96-E115 HydrophobicContact CD2-CB 4.45Å
97C97.5Very high94.3Very high0 Ų055.3 Ų55.30%027%0.267CS..EExtended strand (participates in β ladder)trans-86.6141.4171.7-770000109.6P7 I8 Q44 K45P7-C97 CarbonylContact C-O 3.58Å; P7-C97 WeakPolarHBondContact CA-O 3.4Å; I8-C97 HydrophobicContact CD1-CB 4.37Å; I8-C97 HydrophobicContact CG1-CB 3.65Å; I8-C97 PolarHBondContact N-O 2.95Å; I8-C97 PolarHBondContact O-N 2.81Å; Q44-C97 HydrophobicContact CB-CB 4.07Å; K45-C97 WeakPolarHBondContact O-CA 3.08Å
98I95.9Very high94.6Very high0 Ų049.6 Ų49.60%025%0.247CC..EExtended strand (participates in β ladder)trans-136.6163.9178.8-163.862.7000108.9F5 P7 K45 A47 F66 L96 A102 W109F5-I98 HydrophobicContact CB-CD1 3.7Å; F5-I98 HydrophobicContact CB-CG1 3.97Å; P7-I98 HydrophobicContact CB-CD1 4Å; K45-I98 HydrophobicContact CB-CG2 4.25Å; K45-I98 HydrophobicContact CD-CG2 4.46Å; K45-I98 HydrophobicContact CG-CG2 4.42Å; K45-I98 PolarHBondContact O-N 3.35Å; A47-I98 HydrophobicContact CB-CG2 4.13Å; F66-I98 HydrophobicContact CD1-CG2 4.41Å; F66-I98 HydrophobicContact CE1-CG2 3.97Å; L96-I98 HydrophobicContact CD1-CB 4.19Å; I98-A102 HydrophobicContact CG1-CB 3.9Å; I98-A102 HydrophobicContact CG2-CB 4.06Å; I98-W109 HydrophobicContact CD1-CD2 3.92Å; I98-W109 HydrophobicContact CD1-CE3 4.18Å; I98-W109 HydrophobicContact CD1-CG 4.39Å; I98-W109 HydrophobicContact CD1-CH2 4.44Å; I98-W109 HydrophobicContact CD1-CZ2 4.2Å; I98-W109 HydrophobicContact CD1-CZ3 4.42Å; I98-W109 HydrophobicContact CG1-CD2 4.29Å; I98-W109 HydrophobicContact CG1-CE3 4.07Å; I98-W109 HydrophobicContact CG1-CH2 3.96Å; I98-W109 HydrophobicContact CG1-CZ2 4.17Å; I98-W109 HydrophobicContact CG1-CZ3 3.89Å
99D92.5Very high94.7Very high64 Ų6445.2 Ų45.234%0.34223%0.226SC..  trans-54.7143.2171.8-164.6-74.5000112.2F5 E101 A102F5-D99 HydrophobicContact CB-CB 4.48Å; F5-D99 HydrophobicContact CD1-CB 3.68Å; F5-D99 HydrophobicContact CE1-CB 4.44Å; D99-E101 PolarHBondContact O-N 2.77Å; D99-E101 VanDerWaalsContact OD1-CB 3.28Å; D99-E101 WeakPolarHBondContact OD1-CB 3.37Å; D99-E101 WeakPolarHBondContact OD1-CG 2.85Å; D99-E101 PolarHBondContact OD1-N 3.3Å; D99-A102 VanDerWaalsContact O-CB 3.27Å; D99-A102 WeakPolarHBondContact O-CB 3.26Å; D99-A102 PolarHBondContact O-N 3.11Å
100N91.6Very high94.8Very high74 Ų7446 Ų4640%0.39623%0.23SC..THydrogen-bonded Turntrans-66.9-17.5-177.8-68.2-16.9000113.2K45K45-N100 WeakPolarHBondContact CB-OD1 3.47Å; K45-N100 WeakPolarHBondContact CE-O 3.36Å; K45-N100 PolarHBondContact N-OD1 2.97Å; K45-N100 PolarHBondContact NZ-O 3.45Å
101E92.4Very high94.7Very high153 Ų15345.7 Ų45.772%0.71525%0.247SC*.THydrogen-bonded Turntrans-89.4-4-179.9-61.8166.1-177.400112.9F5 D99 P103F5-E101 HydrophobicContact CE1-CB 3.86Å; F5-E101 HydrophobicContact CZ-CB 4.44Å; F5-E101 WeakPolarHBondContact CZ-O 3.3Å; D99-E101 PolarHBondContact O-N 2.77Å; D99-E101 VanDerWaalsContact OD1-CB 3.28Å; D99-E101 WeakPolarHBondContact OD1-CB 3.37Å; D99-E101 WeakPolarHBondContact OD1-CG 2.85Å; D99-E101 PolarHBondContact OD1-N 3.3Å; E101-P103 WeakPolarHBondContact O-CD 3.48Å
102A92.9Very high94.4Very high3 Ų350.8 Ų50.83%0.02527%0.271CS..  trans-58.5119.3178.900000111.7F5 F66 I98 D99 W109F5-A102 HydrophobicContact CB-CB 4.5Å; F5-A102 HydrophobicContact CD1-CB 4.3Å; F5-A102 HydrophobicContact CD2-CB 4.18Å; F5-A102 HydrophobicContact CG-CB 4.05Å; F66-A102 HydrophobicContact CE1-CB 4.41Å; F66-A102 HydrophobicContact CZ-CB 4.09Å; I98-A102 HydrophobicContact CG1-CB 3.9Å; I98-A102 HydrophobicContact CG2-CB 4.06Å; D99-A102 VanDerWaalsContact O-CB 3.27Å; D99-A102 WeakPolarHBondContact O-CB 3.26Å; D99-A102 PolarHBondContact O-N 3.11Å; A102-W109 HydrophobicContact CB-CH2 3.86Å
103P92.7Very high94.2Very high105 Ų10552.3 Ų52.368%0.68229%0.292SS*.  trans-82.7-25.2-169.830.6-35.5000113.5F5 E101F5-P103 HydrophobicContact CE2-CG 4.25Å; E101-P103 WeakPolarHBondContact O-CD 3.48Å
104R93.6Very high94.1Very high176 Ų17655.1 Ų55.166%0.66431%0.307SS*.SBendtrans-154.3151.3-178.166.5-176.9-176.8173.90.6110.3F66 D106 W109F66-R104 WeakPolarHBondContact CZ-O 3.41Å; R104-D106 PolarHBondContact O-N 2.76Å; R104-W109 WeakPolarHBondContact O-CH2 3.45Å
105V95.2Very high94Very high14 Ų1456.7 Ų56.79%0.08531%0.314CS..  trans-65.6118.4174.2-179.80000109.9A47 G65 F66 M107 F110A47-V105 HydrophobicContact CB-CG2 4.48Å; G65-V105 VanDerWaalsContact O-CG2 3.29Å; G65-V105 WeakPolarHBondContact O-CG2 3.46Å; F66-V105 HydrophobicContact CD1-CG2 3.99Å; F66-V105 HydrophobicContact CD2-CG2 4.35Å; F66-V105 HydrophobicContact CE1-CG2 3.73Å; F66-V105 HydrophobicContact CE2-CG2 4.13Å; F66-V105 HydrophobicContact CG-CG2 4.3Å; F66-V105 HydrophobicContact CZ-CB 4.49Å; F66-V105 HydrophobicContact CZ-CG2 3.83Å; F66-V105 VanDerWaalsContact CZ-N 3.34Å; V105-M107 HydrophobicContact CG1-SD 4.48Å; V105-F110 HydrophobicContact CG1-CE2 3.74Å; V105-F110 HydrophobicContact CG1-CZ 4.2Å
106D94Very high94Very high64 Ų6459.4 Ų59.434%0.34233%0.326SS..  trans-96127.8169-164.2-42.6000109.9R104 S108 W109R104-D106 PolarHBondContact O-N 2.76Å; D106-S108 VanDerWaalsContact C-N 3.25Å; D106-S108 PolarHBondContact O-N 2.86Å; D106-S108 VanDerWaalsContact OD1-CB 3.28Å; D106-S108 WeakPolarHBondContact OD1-CB 3.48Å; D106-S108 PolarHBondContact OD1-N 2.83Å; D106-S108 PolarHBondContact OD1-OG 2.95Å; D106-W109 HydrophobicContact CB-CD2 3.67Å; D106-W109 VanDerWaalsContact CB-CE2 3.43Å; D106-W109 HydrophobicContact CB-CE3 4.08Å; D106-W109 HydrophobicContact CB-CG 4.16Å; D106-W109 HydrophobicContact CB-CH2 4.04Å; D106-W109 HydrophobicContact CB-CZ2 3.63Å; D106-W109 HydrophobicContact CB-CZ3 4.26Å; D106-W109 VanDerWaalsContact N-CZ3 3.33Å; D106-W109 PolarHBondContact O-N 3.11Å
107M94.4Very high93.9Very high89 Ų8966.4 Ų66.444%0.43835%0.353SS..G310 helixtrans-71.1-22.6-178.7-65-54.8-55.500112.8F49 K64 V105 W109 F110F49-M107 HydrophobicContact CB-CE 4.42Å; F49-M107 HydrophobicContact CD1-CE 3.8Å; F49-M107 HydrophobicContact CD2-CE 3.87Å; F49-M107 HydrophobicContact CE1-CE 3.89Å; F49-M107 HydrophobicContact CE2-CE 3.93Å; F49-M107 HydrophobicContact CG-CE 3.77Å; F49-M107 HydrophobicContact CG-SD 4.48Å; F49-M107 HydrophobicContact CZ-CE 3.95Å; K64-M107 HydrophobicContact CD-SD 4.49Å; V105-M107 HydrophobicContact CG1-SD 4.48Å; M107-W109 PolarHBondContact O-N 3.31Å; M107-F110 HydrophobicContact CE-CD2 4.3Å; M107-F110 PolarHBondContact O-N 2.75Å
108S93.6Very high93.8Very high65 Ų6567.1 Ų67.146%0.45536%0.356SS..G310 helixtrans-64.7-24.117864.50000113D106 F110 A111D106-S108 VanDerWaalsContact C-N 3.25Å; D106-S108 PolarHBondContact O-N 2.86Å; D106-S108 VanDerWaalsContact OD1-CB 3.28Å; D106-S108 WeakPolarHBondContact OD1-CB 3.48Å; D106-S108 PolarHBondContact OD1-N 2.83Å; D106-S108 PolarHBondContact OD1-OG 2.95Å; S108-F110 PolarHBondContact O-N 2.91Å; S108-A111 PolarHBondContact O-N 3.41Å
109W94.2Very high93.8Very high17 Ų1771.2 Ų71.26%0.06438%0.377CS..G310 helixtrans-61.8-31.9176-60.3-25000112.6F5 P7 A47 F66 L96 I98 A102 R104 D106 M107 A111F5-W109 HydrophobicContact CB-CZ2 3.96Å; F5-W109 HydrophobicContact CD2-CZ2 4.19Å; F5-W109 HydrophobicContact CG-CZ2 4.49Å; F5-W109 PolarHBondContact O-NE1 3.38Å; P7-W109 HydrophobicContact CB-CB 4.03Å; P7-W109 HydrophobicContact CB-CG 4.39Å; P7-W109 HydrophobicContact CG-CB 3.97Å; P7-W109 HydrophobicContact CG-CG 4.26Å; A47-W109 HydrophobicContact CB-CE3 4.14Å; A47-W109 HydrophobicContact CB-CZ3 4.19Å; F66-W109 AromaticContact CE1-CZ3 3.99Å; F66-W109 HydrophobicContact CE1-CZ3 3.99Å; F66-W109 HydrophobicContact CZ-CH2 4.37Å; F66-W109 HydrophobicContact CZ-CZ3 4.14Å; L96-W109 HydrophobicContact CD1-CB 4.28Å; L96-W109 VanDerWaalsContact CD2-C 3.48Å; L96-W109 HydrophobicContact CD2-CB 3.74Å; L96-W109 VanDerWaalsContact CD2-O 3.27Å; L96-W109 WeakPolarHBondContact CD2-O 3.39Å; I98-W109 HydrophobicContact CD1-CD2 3.92Å; I98-W109 HydrophobicContact CD1-CE3 4.18Å; I98-W109 HydrophobicContact CD1-CG 4.39Å; I98-W109 HydrophobicContact CD1-CH2 4.44Å; I98-W109 HydrophobicContact CD1-CZ2 4.2Å; I98-W109 HydrophobicContact CD1-CZ3 4.42Å; I98-W109 HydrophobicContact CG1-CD2 4.29Å; I98-W109 HydrophobicContact CG1-CE3 4.07Å; I98-W109 HydrophobicContact CG1-CH2 3.96Å; I98-W109 HydrophobicContact CG1-CZ2 4.17Å; I98-W109 HydrophobicContact CG1-CZ3 3.89Å; A102-W109 HydrophobicContact CB-CH2 3.86Å; R104-W109 WeakPolarHBondContact O-CH2 3.45Å; D106-W109 HydrophobicContact CB-CD2 3.67Å; D106-W109 VanDerWaalsContact CB-CE2 3.43Å; D106-W109 HydrophobicContact CB-CE3 4.08Å; D106-W109 HydrophobicContact CB-CG 4.16Å; D106-W109 HydrophobicContact CB-CH2 4.04Å; D106-W109 HydrophobicContact CB-CZ2 3.63Å; D106-W109 HydrophobicContact CB-CZ3 4.26Å; D106-W109 VanDerWaalsContact N-CZ3 3.33Å; D106-W109 PolarHBondContact O-N 3.11Å; M107-W109 PolarHBondContact O-N 3.31Å; W109-A111 VanDerWaalsContact C-N 3.29Å; W109-A111 PolarHBondContact O-N 2.81Å
110F95.3Very high93.9Very high18 Ų1868.1 Ų68.18%0.07936%0.361CS..G310 helixtrans-86.64.5-178.2-55-88.3000113.7A47 F49 V94 L96 V105 M107 S108 E115A47-F110 HydrophobicContact CB-CZ 3.95Å; F49-F110 AromaticContact CD1-CD1 3.76Å; F49-F110 HydrophobicContact CD1-CD1 3.76Å; F49-F110 AromaticContact CD1-CD2 3.9Å; F49-F110 HydrophobicContact CD1-CD2 3.9Å; F49-F110 AromaticContact CD1-CE1 3.72Å; F49-F110 HydrophobicContact CD1-CE1 3.72Å; F49-F110 AromaticContact CD1-CE2 3.89Å; F49-F110 HydrophobicContact CD1-CE2 3.89Å; F49-F110 AromaticContact CD1-CG 3.83Å; F49-F110 HydrophobicContact CD1-CG 3.83Å; F49-F110 AromaticContact CD1-CZ 3.79Å; F49-F110 HydrophobicContact CD1-CZ 3.79Å; F49-F110 HydrophobicContact CE1-CB 3.78Å; F49-F110 AromaticContact CE1-CD1 3.51Å; F49-F110 HydrophobicContact CE1-CD1 3.51Å; F49-F110 AromaticContact CE1-CD2 3.9Å; F49-F110 HydrophobicContact CE1-CD2 3.9Å; F49-F110 AromaticContact CE1-CE1 3.98Å; F49-F110 HydrophobicContact CE1-CE1 3.98Å; F49-F110 HydrophobicContact CE1-CE2 4.35Å; F49-F110 AromaticContact CE1-CG 3.45Å; F49-F110 HydrophobicContact CE1-CG 3.45Å; F49-F110 VanDerWaalsContact CE1-CG 3.45Å; F49-F110 HydrophobicContact CE1-CZ 4.38Å; V94-F110 HydrophobicContact CG1-CD1 3.95Å; L96-F110 HydrophobicContact CD2-CD1 3.49Å; L96-F110 VanDerWaalsContact CD2-CD1 3.49Å; L96-F110 HydrophobicContact CD2-CD2 4.43Å; L96-F110 HydrophobicContact CD2-CE1 3.73Å; L96-F110 HydrophobicContact CD2-CG 3.9Å; L96-F110 HydrophobicContact CD2-CZ 4.29Å; L96-F110 HydrophobicContact CG-CD1 3.95Å; L96-F110 HydrophobicContact CG-CE1 3.66Å; L96-F110 HydrophobicContact CG-CZ 4.17Å; V105-F110 HydrophobicContact CG1-CE2 3.74Å; V105-F110 HydrophobicContact CG1-CZ 4.2Å; M107-F110 HydrophobicContact CE-CD2 4.3Å; M107-F110 PolarHBondContact O-N 2.75Å; S108-F110 PolarHBondContact O-N 2.91Å; F110-E115 HydrophobicContact CD1-CB 4.03Å
111A91.6Very high94Very high86 Ų8667 Ų6771%0.71136%0.359SS*.G310 helixtrans-92.9-3.4174.100000112.6S108 W109S108-A111 PolarHBondContact O-N 3.41Å; W109-A111 VanDerWaalsContact C-N 3.29Å; W109-A111 PolarHBondContact O-N 2.81Å
112Q88.9Confident94Very high106 Ų10660 Ų6050%0.49533%0.326SS..SBendtrans-88.3-5.4-172.9-57.6-17428.400113.7P7 L114P7-Q112 VanDerWaalsContact CG-CD 3.46Å; P7-Q112 HydrophobicContact CG-CG 4.49Å; P7-Q112 VanDerWaalsContact CG-NE2 3.32Å; Q112-L114 HydrophobicContact CB-CD1 4.07Å; Q112-L114 HydrophobicContact CB-CG 4.16Å; Q112-L114 PolarHBondContact O-N 2.78Å
113G92.3Very high93.8Very high61 Ų6166.9 Ų66.963%0.62935%0.352SS*.SBendtrans73.814.6-178.500000114E115G113-E115 WeakPolarHBondContact CA-OE2 3.32Å; G113-E115 PolarHBondContact N-OE2 2.83Å
114L94.5Very high93.5Very high59 Ų5963.8 Ų63.831%0.30933%0.328SS..  trans-91.6-8.9178.2-63.3172.5000112.1P7 A9 Q112P7-L114 HydrophobicContact CG-CD1 4.26Å; P7-L114 VanDerWaalsContact O-CD1 3.3Å; P7-L114 WeakPolarHBondContact O-CD1 3.47Å; A9-L114 WeakPolarHBondContact CA-O 3.31Å; A9-L114 HydrophobicContact CB-CD2 4.42Å; Q112-L114 HydrophobicContact CB-CD1 4.07Å; Q112-L114 HydrophobicContact CB-CG 4.16Å; Q112-L114 PolarHBondContact O-N 2.78Å
115E96.3Very high93.1Very high33 Ų3360.8 Ų60.815%0.15432%0.32CS..  trans-79140.6-173.378.3-68.7173.300112.9V94 Y95 L96 F110 G113 R117V94-E115 HydrophobicContact CG1-CB 3.84Å; V94-E115 HydrophobicContact CG1-CG 3.35Å; Y95-E115 CarbonylContact O-C 3.53Å; Y95-E115 VanDerWaalsContact O-CA 3.3Å; Y95-E115 WeakPolarHBondContact O-CA 3.43Å; L96-E115 HydrophobicContact CB-CB 4.44Å; L96-E115 HydrophobicContact CD2-CB 4.45Å; F110-E115 HydrophobicContact CD1-CB 4.03Å; G113-E115 WeakPolarHBondContact CA-OE2 3.32Å; G113-E115 PolarHBondContact N-OE2 2.83Å; E115-R117 IonicContact OE1-CZ 3Å; E115-R117 IonicContact OE1-NE 2.67Å; E115-R117 IonicContact OE1-NH2 2.71Å; E115-R117 PolarHBondContact OE1-NH2 2.73Å
116K97Very high92.1Very high60 Ų6065 Ų6526%0.26135%0.345SS..EExtended strand (participates in β ladder)trans-94.1160.4167.6-73.4-175.7175179.30110.4P10 D13 V94 Y95P10-K116 HydrophobicContact CB-CD 4.16Å; P10-K116 HydrophobicContact CG-CD 4.19Å; P10-K116 HydrophobicContact CG-CG 4.35Å; P10-K116 VanDerWaalsContact O-CE 3.26Å; P10-K116 WeakPolarHBondContact O-CE 3.32Å; P10-K116 PolarHBondContact O-NZ 3.3Å; D13-K116 WeakPolarHBondContact OD1-CD 3.39Å; D13-K116 WeakPolarHBondContact OD1-CE 3.41Å; D13-K116 IonicContact OD1-NZ 3.59Å; D13-K116 PolarHBondContact OD1-NZ 2.83Å; V94-K116 WeakPolarHBondContact CA-O 3.5Å; Y95-K116 HydrophobicContact CD1-CB 4.27Å; Y95-K116 WeakPolarHBondContact CD1-O 3.5Å; Y95-K116 HydrophobicContact CD2-CB 4.39Å; Y95-K116 HydrophobicContact CE1-CB 3.63Å; Y95-K116 HydrophobicContact CE2-CB 3.78Å; Y95-K116 HydrophobicContact CE2-CD 4.26Å; Y95-K116 PolarHBondContact N-O 3.44Å; Y95-K116 PolarHBondContact O-N 3.36Å; Y95-K116 WeakPolarHBondContact OH-CB 3.5Å
117R96.2Very high90.8Very high148 Ų14864.9 Ų64.956%0.55835%0.353SS*.EExtended strand (participates in β ladder)trans-135.5121.9-174.2-57-175.7-176.5-160.92.7110.6T92 I93 V94 E115T92-R117 HydrophobicContact CG2-CB 4.02Å; I93-R117 CarbonylContact O-C 3.5Å; I93-R117 WeakPolarHBondContact O-CA 3.3Å; V94-R117 HydrophobicContact CG1-CG 4.4Å; V94-R117 HydrophobicContact CG2-CG 4.27Å; E115-R117 IonicContact OE1-CZ 3Å; E115-R117 IonicContact OE1-NE 2.67Å; E115-R117 IonicContact OE1-NH2 2.71Å; E115-R117 PolarHBondContact OE1-NH2 2.73Å
118I95.4Very high89Confident14 Ų1465.1 Ų65.17%0.07237%0.37CS..EExtended strand (participates in β ladder)trans-101.1123.3168.7-72.2156.7000107.8L14 Y16 T92 I93 Y95 V120L14-I118 HydrophobicContact CB-CD1 3.78Å; Y16-I118 HydrophobicContact CD1-CD1 3.67Å; Y16-I118 HydrophobicContact CD1-CG1 4.2Å; Y16-I118 HydrophobicContact CD1-CG2 3.91Å; Y16-I118 HydrophobicContact CD2-CG2 4.13Å; Y16-I118 HydrophobicContact CE1-CB 4.44Å; Y16-I118 HydrophobicContact CE1-CD1 3.98Å; Y16-I118 HydrophobicContact CE1-CG1 3.99Å; Y16-I118 HydrophobicContact CE1-CG2 3.56Å; Y16-I118 HydrophobicContact CE2-CG2 3.75Å; Y16-I118 HydrophobicContact CG-CD1 4.45Å; Y16-I118 HydrophobicContact CG-CG2 4.19Å; Y16-I118 VanDerWaalsContact CZ-CG2 3.48Å; T92-I118 CarbonylContact C-O 3.56Å; T92-I118 VanDerWaalsContact CA-O 3.25Å; T92-I118 WeakPolarHBondContact CA-O 3.39Å; I93-I118 HydrophobicContact CB-CB 4.33Å; I93-I118 PolarHBondContact N-O 3.04Å; I93-I118 PolarHBondContact O-N 3.34Å; Y95-I118 HydrophobicContact CD1-CD1 4.35Å; Y95-I118 HydrophobicContact CE1-CD1 3.59Å; Y95-I118 HydrophobicContact CE1-CG1 3.82Å; I118-V120 HydrophobicContact CG2-CG2 3.79Å
119L95.3Very high87Confident86 Ų8668.5 Ų68.545%0.4539%0.387SS..EExtended strand (participates in β ladder)trans-98.8127.2174.4-169.471.8000109.1R90 T92R90-L119 HydrophobicContact CB-CD1 4.44Å; R90-L119 HydrophobicContact CG-CD1 4.1Å; T92-L119 VanDerWaalsContact OG1-CD1 3.29Å; T92-L119 WeakPolarHBondContact OG1-CD1 3.49Å
120V94.4Very high84.8Confident0 Ų077.3 Ų77.30%043%0.426CS..EExtended strand (participates in β ladder)trans-125.8123.5176.5-174.40000109.2Y16 K20 I22 R90 F91 I118Y16-V120 HydrophobicContact CD2-CG2 4.26Å; Y16-V120 HydrophobicContact CE2-CG2 3.89Å; K20-V120 WeakPolarHBondContact O-CA 3.36Å; I22-V120 HydrophobicContact CG1-CG1 4.42Å; I22-V120 HydrophobicContact CG2-CG1 4.12Å; R90-V120 VanDerWaalsContact CA-O 3.3Å; R90-V120 WeakPolarHBondContact CA-O 3.41Å; R90-V120 WeakPolarHBondContact CB-O 3.37Å; F91-V120 HydrophobicContact CD1-CB 4.03Å; F91-V120 HydrophobicContact CD1-CG1 4.38Å; F91-V120 HydrophobicContact CD2-CB 4.27Å; F91-V120 HydrophobicContact CD2-CG2 4.47Å; F91-V120 HydrophobicContact CE1-CB 3.4Å; F91-V120 HydrophobicContact CE1-CG1 3.4Å; F91-V120 HydrophobicContact CE1-CG2 4.23Å; F91-V120 HydrophobicContact CE2-CB 3.69Å; F91-V120 HydrophobicContact CE2-CG1 4.33Å; F91-V120 HydrophobicContact CE2-CG2 3.66Å; F91-V120 HydrophobicContact CG-CB 4.44Å; F91-V120 HydrophobicContact CZ-CB 3.23Å; F91-V120 HydrophobicContact CZ-CG1 3.39Å; F91-V120 HydrophobicContact CZ-CG2 3.54Å; F91-V120 PolarHBondContact N-O 2.91Å; F91-V120 PolarHBondContact O-N 2.79Å; I118-V120 HydrophobicContact CG2-CG2 3.79Å
121S94Very high82.3Confident51 Ų5185.3 Ų85.336%0.35748%0.484SS..EExtended strand (participates in β ladder)trans-81.8145.1178.7-62.30000111.2K20 E21 I22K20-S121 PolarHBondContact O-N 3.22Å; E21-S121 VanDerWaalsContact CA-O 3.26Å; E21-S121 WeakPolarHBondContact CA-O 3.34Å; I22-S121 PolarHBondContact N-O 3.07Å
122I92.1Very high81.9Confident5 Ų585.3 Ų85.33%0.02647%0.473CS..EExtended strand (participates in β ladder)trans-101.5110.5175.4-51.9-173.9000108.1I22 L24 F58 D89 F91I22-I122 HydrophobicContact CD1-CB 4.49Å; I22-I122 HydrophobicContact CD1-CD1 4.2Å; I22-I122 HydrophobicContact CD1-CG1 3.82Å; I22-I122 HydrophobicContact CD1-CG2 4.33Å; I22-I122 HydrophobicContact CG1-CB 4.32Å; I22-I122 HydrophobicContact CG1-CG1 3.97Å; I22-I122 HydrophobicContact CG1-CG2 4.35Å; L24-I122 HydrophobicContact CD1-CG2 3.58Å; L24-I122 HydrophobicContact CG-CG2 3.95Å; F58-I122 HydrophobicContact CD1-CD1 4.16Å; F58-I122 HydrophobicContact CE1-CD1 3.8Å; F58-I122 HydrophobicContact CE1-CG2 4.44Å; F58-I122 HydrophobicContact CZ-CD1 4.04Å; D89-I122 HydrophobicContact CB-CB 3.96Å; D89-I122 HydrophobicContact CB-CD1 4.34Å; D89-I122 HydrophobicContact CB-CG1 4.43Å; D89-I122 WeakPolarHBondContact O-CB 3.47Å; D89-I122 PolarHBondContact O-N 2.8Å; F91-I122 HydrophobicContact CD1-CD1 4.33Å; F91-I122 HydrophobicContact CD1-CG1 4.24Å
123R90.1Very high81.5Confident147 Ų14784.2 Ų84.256%0.55547%0.472SS*.EExtended strand (participates in β ladder)trans-89.3138.3170.7-67-142.6-169.9-162.810.2110.3E21 I22 T23 L24E21-R123 HydrophobicContact CB-CG 4.46Å; E21-R123 VanDerWaalsContact CD-NE 3.34Å; E21-R123 IonicContact OE1-CZ 3.83Å; E21-R123 IonicContact OE1-NE 3.44Å; E21-R123 PolarHBondContact OE1-NE 2.84Å; E21-R123 IonicContact OE1-NH2 3.8Å; E21-R123 IonicContact OE2-CZ 3.19Å; E21-R123 IonicContact OE2-NE 2.73Å; E21-R123 PolarHBondContact OE2-NE 3.4Å; E21-R123 IonicContact OE2-NH2 2.83Å; E21-R123 PolarHBondContact OE2-NH2 2.65Å; I22-R123 PolarHBondContact O-N 3.43Å; T23-R123 CarbonylContact C-O 3.54Å; T23-R123 WeakPolarHBondContact CA-O 3.46Å; L24-R123 PolarHBondContact N-O 2.96Å
124H86.5Confident80.9Confident40 Ų4085.5 Ų85.519%0.18546%0.463CS..EExtended strand (participates in β ladder)trans-107.9119.2174.9-62.8-86.3000109.3L24 F28 R79 P85 D89L24-H124 WeakPolarHBondContact O-CA 3.29Å; F28-H124 HydrophobicContact CZ-CB 4.43Å; R79-H124 PolarHBondContact NH1-ND1 2.82Å; P85-H124 HydrophobicContact CB-CB 3.37Å; P85-H124 WeakPolarHBondContact CB-CD2 3.43Å; P85-H124 WeakPolarHBondContact CB-ND1 3.46Å; P85-H124 HydrophobicContact CG-CB 4.35Å; D89-H124 IonicContact OD2-NE2 3.37Å; D89-H124 PolarHBondContact OD2-NE2 2.78Å
125K83.2Confident80.1Confident113 Ų11387.1 Ų87.149%0.49147%0.472SS..EExtended strand (participates in β ladder)trans-104.3113.6177.8-177.2173.6162.1-153.40109.2T23 L24 E25 A26T23-K125 HydrophobicContact CG2-CB 3.67Å; T23-K125 HydrophobicContact CG2-CD 4.39Å; L24-K125 PolarHBondContact O-N 3.44Å; L24-K125 VanDerWaalsContact O-N 3.07Å; E25-K125 CarbonylContact C-O 3.57Å; E25-K125 WeakPolarHBondContact CA-O 3.04Å; E25-K125 HydrophobicContact CG-CB 4.32Å; E25-K125 HydrophobicContact CG-CD 4.48Å; E25-K125 WeakPolarHBondContact OE1-CD 3.5Å; E25-K125 IonicContact OE1-NZ 2.82Å; E25-K125 PolarHBondContact OE1-NZ 3.21Å; A26-K125 PolarHBondContact N-O 3.22Å
126V74.7Confident79.1Confident102 Ų10290.4 Ų90.462%0.61849%0.492SS*.PPolyproline II helixtrans-74129.9171.9-172.30000107.3F28 A128F28-V126 HydrophobicContact CE2-CG2 4.09Å; F28-V126 HydrophobicContact CZ-CG2 4.04Å; V126-A128 PolarHBondContact O-N 3.25Å
127A66.1Low77.9Confident62 Ų6292.5 Ų92.551%0.51251%0.507SS..PPolyproline II helixtrans-58.4128172.700000108A26 V129A26-A127 HydrophobicContact CB-CB 4.01Å; A127-V129 PolarHBondContact O-N 2.99Å; A127-V129 VanDerWaalsContact O-N 3.11Å
128A58.6Low76.6Confident95 Ų9588.5 Ų88.579%0.78550%0.504SS*.PPolyproline II helixtrans-57.4121.6173.200000107.8V126 K130V126-A128 PolarHBondContact O-N 3.25Å; A128-K130 PolarHBondContact O-N 3.11Å
129V51.4Low75.2Confident135 Ų13594.2 Ų94.282%0.81854%0.537SS*.  trans-58.8111166179.70000105.1A127 S131A127-V129 PolarHBondContact O-N 2.99Å; A127-V129 VanDerWaalsContact O-N 3.11Å; V129-S131 PolarHBondContact O-N 3.05Å
130K47.9Very low73.5Confident203 Ų20394.9 Ų94.988%0.88354%0.544SS*.  trans-62.1110164.6-80.1-174.2175.8-178.40105.6A128A128-K130 PolarHBondContact O-N 3.11Å
131S43.1Very low71.6Confident186 Ų186103.5 Ų103.5100%1.30159%0.594SS**  trans-65.60168.373.20000110.2V129V129-S131 PolarHBondContact O-N 3.05Å

Retrieved 131 of 131 residues in 40.8 ms (Link to these results)

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