A0A3B3VNJ5_9TELE Loading...

Rab-like protein 3

Required for KRAS signaling regulation and modulation of cell proliferation. Regulator of KRAS prenylation, and probably prenylation of other small GTPases. Required for lymphocyte development and function. Not required for myeloid cell development.

AlphaFold DB , UniProt , Accession A0A3B3VNJ5, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 233 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
1M37.5Very low80Confident244 Ų24465.5 Ų65.5100%1.20236%0.361SS*.  0120.80-81.1169.6153.300107S3M1-S3 PolarHBondContact O-N 3.21Å
2A43.5Very low81.2Confident101 Ų10160 Ų6084%0.83533%0.331SS*.PPolyproline II helixtrans-63.5118.6174.200000108L4A2-L4 PolarHBondContact O-N 3.4Å
3S56.9Low82.2Confident101 Ų10155.4 Ų55.471%0.70631%0.306SS*.PPolyproline II helixtrans-68.6120.4171.253.70000107.7M1 D5M1-S3 PolarHBondContact O-N 3.21Å; S3-D5 PolarHBondContact O-N 3.33Å
4L76.3Confident83Confident91 Ų9152.6 Ų52.648%0.47629%0.29SS..PPolyproline II helixtrans-71.1121.4168-63.8166.4000107.1A2 R6 Y61A2-L4 PolarHBondContact O-N 3.4Å; L4-R6 PolarHBondContact O-N 3.46Å; L4-Y61 HydrophobicContact CB-CD2 4.06Å; L4-Y61 HydrophobicContact CB-CE2 4.16Å; L4-Y61 HydrophobicContact CD2-CD2 4.25Å; L4-Y61 HydrophobicContact CD2-CE2 3.48Å; L4-Y61 VanDerWaalsContact CD2-CE2 3.48Å; L4-Y61 HydrophobicContact CG-CE2 4.25Å
5D89.4Confident83.5Confident29 Ų2953.7 Ų53.716%0.15530%0.303CS..  trans-73.9115.6177.1-70.8-22.7000109.2S3 K58 F60 Y61 Y208S3-D5 PolarHBondContact O-N 3.33Å; D5-K58 WeakPolarHBondContact OD2-CE 3.45Å; D5-K58 IonicContact OD2-NZ 2.64Å; D5-K58 PolarHBondContact OD2-NZ 2.88Å; D5-F60 HydrophobicContact CB-CD1 3.39Å; D5-F60 HydrophobicContact CB-CE1 3.41Å; D5-F60 VanDerWaalsContact CB-CE1 3.41Å; D5-F60 HydrophobicContact CB-CG 4.43Å; D5-F60 HydrophobicContact CB-CZ 4.46Å; D5-Y61 PolarHBondContact O-N 2.97Å; D5-Y208 HydrophobicContact CB-CE1 4.3Å; D5-Y208 HydrophobicContact CB-CE2 4.46Å
6R92.9Very high84Confident126 Ų12653.8 Ų53.848%0.47532%0.319SS..EExtended strand (participates in β ladder)trans-116.2146.5-175.2-68167.2-178.8-143.17.6110.2L4 Y61 E63 Y208L4-R6 PolarHBondContact O-N 3.46Å; R6-Y61 VanDerWaalsContact CA-O 3.28Å; R6-Y61 WeakPolarHBondContact CA-O 3.28Å; R6-E63 WeakPolarHBondContact CD-OE1 3.28Å; R6-E63 IonicContact CZ-OE1 3.85Å; R6-E63 IonicContact NH1-OE1 2.97Å; R6-E63 PolarHBondContact NH1-OE1 3.19Å; R6-Y208 PolarHBondContact N-OH 3.22Å; R6-Y208 VanDerWaalsContact N-OH 3.13Å; R6-Y208 PolarHBondContact O-OH 3.43Å
7V95.4Very high84.7Confident1 Ų150.7 Ų50.71%0.00630%0.301CS..EExtended strand (participates in β ladder)trans-128.3140.6166.7-64.20000109.7Y61 I62 E63 N89 V203 I204 R207 Y208V7-Y61 PolarHBondContact N-O 2.9Å; V7-I62 HydrophobicContact CG2-CB 4.29Å; V7-I62 HydrophobicContact CG2-CD1 3.18Å; V7-I62 HydrophobicContact CG2-CG1 4.26Å; V7-I62 HydrophobicContact CG2-CG2 4.13Å; V7-E63 PolarHBondContact O-N 2.95Å; V7-N89 WeakPolarHBondContact CA-OD1 3.31Å; V7-N89 HydrophobicContact CB-CB 4.27Å; V7-V203 HydrophobicContact CB-CG1 3.98Å; V7-V203 HydrophobicContact CG1-CG1 4.3Å; V7-V203 HydrophobicContact CG2-CG1 4.1Å; V7-I204 HydrophobicContact CG1-CG1 4.14Å; V7-I204 HydrophobicContact CG2-CG1 4.32Å; V7-R207 HydrophobicContact CG1-CB 4.3Å; V7-R207 HydrophobicContact CG1-CG 4.24Å; V7-Y208 HydrophobicContact CG1-CD2 4.27Å; V7-Y208 HydrophobicContact CG1-CE2 3.6Å
8K96Very high85.4Confident26 Ų2649 Ų4911%0.11330%0.296CS..EExtended strand (participates in β ladder)trans-99.2120.1179.8176170.9179-176.20110.2W65 F84 N86 N89 G90K8-W65 HydrophobicContact CD-CD2 4.48Å; K8-W65 HydrophobicContact CG-CG 4.3Å; K8-F84 VanDerWaalsContact CE-O 3.3Å; K8-F84 WeakPolarHBondContact CE-O 3.44Å; K8-F84 PolarHBondContact NZ-O 3.12Å; K8-N86 PolarHBondContact NZ-O 2.87Å; K8-N89 PolarHBondContact N-OD1 3.02Å; K8-N89 WeakPolarHBondContact O-CA 3.16Å; K8-N89 WeakPolarHBondContact O-CB 3.08Å; K8-N89 PolarHBondContact O-N 3Å; K8-G90 PolarHBondContact O-N 3.24Å
9V97.7Very high86Confident0 Ų047 Ų470%028%0.283CS..EExtended strand (participates in β ladder)trans-117122174.7177.30000109.2I62 E63 L64 W65 G90 I92 F199 F200 V203V9-I62 HydrophobicContact CB-CG2 4.35Å; V9-I62 HydrophobicContact CG2-CG2 3.81Å; V9-E63 PolarHBondContact N-O 2.92Å; V9-L64 HydrophobicContact CB-CD2 3.86Å; V9-L64 HydrophobicContact CG1-CD2 4.01Å; V9-W65 PolarHBondContact O-N 3.34Å; V9-G90 VanDerWaalsContact CA-O 3.27Å; V9-G90 WeakPolarHBondContact CA-O 3.33Å; V9-I92 HydrophobicContact CG1-CD1 3.93Å; V9-I92 HydrophobicContact CG1-CG1 3.73Å; V9-F199 HydrophobicContact CG1-CE1 4.01Å; V9-F199 HydrophobicContact CG1-CZ 4.13Å; V9-F200 HydrophobicContact CG2-CE1 4.45Å; V9-V203 HydrophobicContact CG2-CG1 4.19Å
10L96.7Very high86.5Confident0 Ų046 Ų460%028%0.278CS..EExtended strand (participates in β ladder)trans-80.6141174.5-62.9177.5000110.2L12 W65 I67 Y85 V88 G90 I91 I92 A113L10-L12 HydrophobicContact CB-CD1 4.27Å; L10-L12 HydrophobicContact CB-CD2 4.2Å; L10-L12 HydrophobicContact CB-CG 4.02Å; L10-L12 HydrophobicContact CD1-CD1 4.33Å; L10-W65 HydrophobicContact CD2-CB 3.94Å; L10-I67 HydrophobicContact CD2-CG1 4.37Å; L10-Y85 HydrophobicContact CD1-CD1 3.53Å; L10-Y85 HydrophobicContact CD1-CE1 4.17Å; L10-Y85 HydrophobicContact CD1-CG 4.3Å; L10-Y85 HydrophobicContact CD2-CD1 4.34Å; L10-V88 HydrophobicContact CB-CG2 4.4Å; L10-V88 HydrophobicContact CD1-CB 4.04Å; L10-V88 HydrophobicContact CD1-CG2 3.75Å; L10-V88 HydrophobicContact CG-CB 4.25Å; L10-V88 HydrophobicContact CG-CG2 3.67Å; L10-G90 PolarHBondContact N-O 3.35Å; L10-I91 HydrophobicContact CB-CG1 4.32Å; L10-I91 HydrophobicContact CD1-CG1 4.46Å; L10-I91 CarbonylContact O-C 3.5Å; L10-I91 WeakPolarHBondContact O-CA 3.41Å; L10-I92 PolarHBondContact O-N 3.36Å; L10-A113 HydrophobicContact CD1-CB 4.17Å
11V97.6Very high87Confident1 Ų144.7 Ų44.71%0.00627%0.271CS..EExtended strand (participates in β ladder)trans-114.9109.2171.5-173.20000108.1K19 V23 L64 W65 I67 I92 V94V11-K19 HydrophobicContact CG1-CB 4.09Å; V11-K19 HydrophobicContact CG1-CD 4.35Å; V11-K19 HydrophobicContact CG1-CG 4.24Å; V11-V23 HydrophobicContact CB-CG2 4.18Å; V11-V23 HydrophobicContact CG1-CG2 4.12Å; V11-V23 HydrophobicContact CG2-CG2 3.76Å; V11-L64 HydrophobicContact CG2-CB 4.29Å; V11-W65 PolarHBondContact N-O 3.35Å; V11-I67 PolarHBondContact O-N 3.03Å; V11-I92 WeakPolarHBondContact CA-O 3.38Å; V11-I92 HydrophobicContact CG2-CB 4.4Å; V11-I92 HydrophobicContact CG2-CD1 4.45Å; V11-V94 HydrophobicContact CG1-CG2 3.62Å
12L95.1Very high89.9Confident0 Ų033.1 Ų33.10%021%0.214CC..EExtended strand (participates in β ladder)trans-123.8148.4-168.3-55.2177.8000111.4L10 I67 Y85 I91 I92 L93 V94 W109 A113L10-L12 HydrophobicContact CB-CD1 4.27Å; L10-L12 HydrophobicContact CB-CD2 4.2Å; L10-L12 HydrophobicContact CB-CG 4.02Å; L10-L12 HydrophobicContact CD1-CD1 4.33Å; L12-I67 HydrophobicContact CD2-CB 4.01Å; L12-I67 HydrophobicContact CD2-CG1 4Å; L12-Y85 HydrophobicContact CD2-CE1 3.84Å; L12-I91 HydrophobicContact CD1-CG2 3.84Å; L12-I91 HydrophobicContact CG-CG2 4.27Å; L12-I92 PolarHBondContact N-O 3.01Å; L12-L93 HydrophobicContact CB-CD2 4.27Å; L12-V94 PolarHBondContact O-N 3.05Å; L12-W109 HydrophobicContact CB-CB 4.26Å; L12-W109 HydrophobicContact CB-CD2 4.32Å; L12-W109 HydrophobicContact CB-CE3 4.11Å; L12-W109 HydrophobicContact CB-CG 4.42Å; L12-W109 HydrophobicContact CD2-CE3 4.23Å; L12-W109 HydrophobicContact CD2-CZ3 4.36Å; L12-A113 HydrophobicContact CD1-CB 3.47Å; L12-A113 VanDerWaalsContact CD1-CB 3.47Å
13G94.3Very high92.4Very high0 Ų028.8 Ų28.80%018%0.177CC..  trans154.2166.2-17500000111.1K19 V94 W109G13-K19 PolarHBondContact O-NZ 3.14Å; G13-V94 WeakPolarHBondContact CA-O 3.36Å; G13-W109 VanDerWaalsContact O-CZ2 3.28Å; G13-W109 WeakPolarHBondContact O-CZ2 3.28Å
14D92.5Very high94.3Very high17 Ų1726.1 Ų26.19%0.09115%0.153CC..  trans-62.5161.7-177.1-72.5-8.5000112.8V17 K19 N105 W109D14-V17 HydrophobicContact CB-CG1 3.8Å; D14-V17 WeakPolarHBondContact O-CG2 3.42Å; D14-K19 PolarHBondContact O-NZ 2.95Å; D14-N105 PolarHBondContact OD2-ND2 3.09Å; D14-W109 PolarHBondContact OD1-NE1 2.77Å
15S91.1Very high95.3Very high69 Ų6921.8 Ų21.848%0.48313%0.131SC..THydrogen-bonded Turntrans-61.4141.1170.9-169.80000110.7V17S15-V17 VanDerWaalsContact C-N 3.3Å; S15-V17 PolarHBondContact O-N 3.03Å
16G91.9Very high95.7Very high54 Ų5420.5 Ų20.556%0.55712%0.124SC*.THydrogen-bonded Turntrans78.90.6176.900000116.3G18 K148G16-G18 PolarHBondContact O-N 3Å; G16-K148 PolarHBondContact O-NZ 3.14Å
17V95.9Very high95.8Very high2 Ų215.7 Ų15.71%0.01211%0.109CC..SBendtrans-78.2-0.9175-53.10000113.6D14 S15 K19 V94 D96 T147D14-V17 HydrophobicContact CB-CG1 3.8Å; D14-V17 WeakPolarHBondContact O-CG2 3.42Å; S15-V17 VanDerWaalsContact C-N 3.3Å; S15-V17 PolarHBondContact O-N 3.03Å; V17-K19 HydrophobicContact CG2-CG 3.78Å; V17-V94 HydrophobicContact CG2-CB 4.16Å; V17-V94 HydrophobicContact CG2-CG1 3.89Å; V17-D96 HydrophobicContact CB-CB 4.12Å; V17-D96 HydrophobicContact CG1-CB 4.01Å; V17-T147 WeakPolarHBondContact O-CB 3.36Å; V17-T147 WeakPolarHBondContact O-CG2 3.41Å; V17-T147 PolarHBondContact O-OG1 3.04Å
18G95.9Very high95.7Very high20 Ų2019.9 Ų19.921%0.20613%0.129CC..SBendtrans92.818175.100000116.7G16 S20 S21 L22G16-G18 PolarHBondContact O-N 3Å; G18-S20 PolarHBondContact O-N 2.86Å; G18-S21 PolarHBondContact O-N 2.66Å; G18-L22 WeakPolarHBondContact O-CB 3.46Å; G18-L22 PolarHBondContact O-N 2.56Å
19K97.1Very high95.5Very high11 Ų1123.1 Ų23.15%0.04815%0.147CC..Hα-helixtrans-52.4-50.4178-60.9-170.5-60.8-760113.7V11 G13 D14 V17 S21 L22 V23 D66 I67 V94V11-K19 HydrophobicContact CG1-CB 4.09Å; V11-K19 HydrophobicContact CG1-CD 4.35Å; V11-K19 HydrophobicContact CG1-CG 4.24Å; G13-K19 PolarHBondContact O-NZ 3.14Å; D14-K19 PolarHBondContact O-NZ 2.95Å; V17-K19 HydrophobicContact CG2-CG 3.78Å; K19-S21 PolarHBondContact O-N 3.13Å; K19-L22 WeakPolarHBondContact O-CB 3.17Å; K19-L22 PolarHBondContact O-N 3.11Å; K19-V23 WeakPolarHBondContact O-CG2 3.44Å; K19-V23 PolarHBondContact O-N 3.49Å; K19-D66 VanDerWaalsContact CB-OD1 3.28Å; K19-D66 WeakPolarHBondContact CB-OD1 3.5Å; K19-D66 VanDerWaalsContact CE-OD1 3.24Å; K19-D66 WeakPolarHBondContact CE-OD1 3.46Å; K19-I67 WeakPolarHBondContact CE-O 3.47Å; K19-V94 HydrophobicContact CG-CB 4.03Å; K19-V94 HydrophobicContact CG-CG1 4.32Å; K19-V94 HydrophobicContact CG-CG2 4.2Å
20S95.8Very high95.3Very high26 Ų2629 Ų2918%0.18218%0.175CC..Hα-helixtrans-66-40-178.1-38.80000112G18 L22 V23 H24 T38 D66G18-S20 PolarHBondContact O-N 2.86Å; S20-L22 VanDerWaalsContact C-N 3.33Å; S20-L22 PolarHBondContact O-N 3.32Å; S20-V23 PolarHBondContact O-N 3.43Å; S20-H24 WeakPolarHBondContact O-CB 3.3Å; S20-H24 PolarHBondContact O-N 2.71Å; S20-T38 PolarHBondContact OG-OG1 2.64Å; S20-D66 WeakPolarHBondContact CB-OD2 3.27Å; S20-D66 PolarHBondContact OG-OD2 3.16Å
21S96.9Very high95.1Very high20 Ų2031.9 Ų31.914%0.1419%0.192CC..Hα-helixtrans-63.1-39.6173.7-57.30000112G18 K19 L25G18-S21 PolarHBondContact O-N 2.66Å; K19-S21 PolarHBondContact O-N 3.13Å; S21-L25 VanDerWaalsContact O-CB 3.3Å; S21-L25 WeakPolarHBondContact O-CB 3.4Å; S21-L25 PolarHBondContact O-N 3.35Å
22L98.1Very high94.7Very high1 Ų135 Ų351%0.00521%0.206CC..Hα-helixtrans-65.2-48.5176176.266.9000111.9G18 K19 S20 H24 L25 I26 I92 V94 I145 L178 F186G18-L22 WeakPolarHBondContact O-CB 3.46Å; G18-L22 PolarHBondContact O-N 2.56Å; K19-L22 WeakPolarHBondContact O-CB 3.17Å; K19-L22 PolarHBondContact O-N 3.11Å; S20-L22 VanDerWaalsContact C-N 3.33Å; S20-L22 PolarHBondContact O-N 3.32Å; L22-H24 VanDerWaalsContact C-N 3.34Å; L22-H24 PolarHBondContact O-N 2.9Å; L22-L25 PolarHBondContact O-N 3.15Å; L22-I26 HydrophobicContact CD1-CD1 3.89Å; L22-I26 HydrophobicContact CD1-CG1 4.28Å; L22-I26 HydrophobicContact CG-CD1 3.88Å; L22-I26 WeakPolarHBondContact O-CG1 3.43Å; L22-I26 PolarHBondContact O-N 2.83Å; L22-I92 HydrophobicContact CD2-CG2 4.41Å; L22-V94 HydrophobicContact CD2-CG1 4.07Å; L22-V94 HydrophobicContact CD2-CG2 3.58Å; L22-I145 HydrophobicContact CD1-CD1 4.08Å; L22-I145 HydrophobicContact CD1-CG2 4.07Å; L22-I145 HydrophobicContact CD2-CB 4.17Å; L22-I145 HydrophobicContact CD2-CD1 3.85Å; L22-I145 HydrophobicContact CD2-CG2 3.83Å; L22-I145 HydrophobicContact CG-CD1 4.46Å; L22-L178 HydrophobicContact CD1-CD1 4.32Å; L22-L178 HydrophobicContact CD1-CD2 3.98Å; L22-F186 HydrophobicContact CD1-CE2 3.91Å; L22-F186 HydrophobicContact CD1-CZ 4.27Å
23V97.8Very high94Very high10 Ų1037.9 Ų37.96%0.06124%0.236CC..Hα-helixtrans-59-47.9177.7167.50000110.5V11 K19 S20 L25 I26 C27 D44 L64 D66V11-V23 HydrophobicContact CB-CG2 4.18Å; V11-V23 HydrophobicContact CG1-CG2 4.12Å; V11-V23 HydrophobicContact CG2-CG2 3.76Å; K19-V23 WeakPolarHBondContact O-CG2 3.44Å; K19-V23 PolarHBondContact O-N 3.49Å; S20-V23 PolarHBondContact O-N 3.43Å; V23-L25 VanDerWaalsContact C-N 3.31Å; V23-L25 PolarHBondContact O-N 2.95Å; V23-I26 PolarHBondContact O-N 2.9Å; V23-C27 PolarHBondContact O-N 2.85Å; V23-C27 PolarHBondContact O-SG 3Å; V23-D44 HydrophobicContact CG1-CB 3.65Å; V23-L64 HydrophobicContact CG1-CB 4Å; V23-L64 HydrophobicContact CG1-CD1 4.23Å; V23-L64 HydrophobicContact CG2-CB 4.2Å; V23-L64 HydrophobicContact CG2-CD1 4.36Å; V23-D66 HydrophobicContact CG2-CB 4.3Å
24H96.3Very high93.3Very high44 Ų4445.2 Ų45.220%0.20428%0.275CS..Hα-helixtrans-59.8-42.4177.2-170.277.7000111.8S20 L22 C27 Q28 Q30 F32S20-H24 WeakPolarHBondContact O-CB 3.3Å; S20-H24 PolarHBondContact O-N 2.71Å; L22-H24 VanDerWaalsContact C-N 3.34Å; L22-H24 PolarHBondContact O-N 2.9Å; H24-C27 PolarHBondContact O-N 2.83Å; H24-Q28 WeakPolarHBondContact O-CA 3.44Å; H24-Q28 VanDerWaalsContact O-CB 3.28Å; H24-Q28 WeakPolarHBondContact O-CB 3.44Å; H24-Q28 PolarHBondContact O-N 2.93Å; H24-Q30 PolarHBondContact CD2-O 2.92Å; H24-F32 HydrophobicContact CB-CB 3.86Å; H24-F32 HydrophobicContact CB-CD2 4.15Å; H24-F32 HydrophobicContact CB-CG 3.98Å; H24-F32 AromaticContact CD2-CD2 3.74Å; H24-F32 AromaticContact CE1-CD2 3.94Å; H24-F32 AromaticContact CG-CD2 3.63Å; H24-F32 AromaticContact CG-CG 3.9Å; H24-F32 AromaticContact ND1-CD2 3.77Å; H24-F32 AromaticContact NE2-CD2 3.92Å
25L97Very high92.6Very high1 Ų147.7 Ų47.71%0.00529%0.292CS..Hα-helixtrans-63.7-42.7176.8177.462.6000111.9S21 L22 V23 N29 Q30 P183 F186S21-L25 VanDerWaalsContact O-CB 3.3Å; S21-L25 WeakPolarHBondContact O-CB 3.4Å; S21-L25 PolarHBondContact O-N 3.35Å; L22-L25 PolarHBondContact O-N 3.15Å; V23-L25 VanDerWaalsContact C-N 3.31Å; V23-L25 PolarHBondContact O-N 2.95Å; L25-N29 WeakPolarHBondContact O-CA 3.31Å; L25-N29 PolarHBondContact O-N 2.97Å; L25-Q30 WeakPolarHBondContact CA-O 3.29Å; L25-P183 HydrophobicContact CD1-CB 3.99Å; L25-F186 HydrophobicContact CD2-CD2 3.69Å; L25-F186 HydrophobicContact CD2-CE2 4.04Å; L25-F186 HydrophobicContact CG-CD2 3.86Å; L25-F186 HydrophobicContact CG-CE2 4.44Å
26I97.3Very high92.1Very high2 Ų249 Ų491%0.0130%0.301CS..Hα-helixtrans-66-40.2179.1-70.2169.4000111.6L22 V23 R46 L64 F186 L196 F200L22-I26 HydrophobicContact CD1-CD1 3.89Å; L22-I26 HydrophobicContact CD1-CG1 4.28Å; L22-I26 HydrophobicContact CG-CD1 3.88Å; L22-I26 WeakPolarHBondContact O-CG1 3.43Å; L22-I26 PolarHBondContact O-N 2.83Å; V23-I26 PolarHBondContact O-N 2.9Å; I26-R46 PolarHBondContact O-NH1 2.87Å; I26-L64 HydrophobicContact CB-CD1 4.03Å; I26-L64 HydrophobicContact CD1-CD1 4.43Å; I26-L64 HydrophobicContact CG2-CD1 3.64Å; I26-F186 HydrophobicContact CD1-CE2 4.4Å; I26-F186 HydrophobicContact CD1-CZ 4.48Å; I26-F186 HydrophobicContact CG1-CD2 4.23Å; I26-F186 HydrophobicContact CG1-CE2 3.75Å; I26-F186 HydrophobicContact CG1-CZ 4.18Å; I26-L196 HydrophobicContact CD1-CD1 4.33Å; I26-L196 HydrophobicContact CD1-CD2 4.38Å; I26-L196 HydrophobicContact CG1-CD2 4Å; I26-L196 HydrophobicContact CG2-CD2 4.04Å; I26-F200 HydrophobicContact CG2-CE2 4.31Å; I26-F200 HydrophobicContact CG2-CZ 4.14Å
27C96Very high91.5Very high25 Ų2556.6 Ų56.617%0.16931%0.313CS..Hα-helixtrans-84.2-40.4-175.8-670000113.2V23 H24 D44V23-C27 PolarHBondContact O-N 2.85Å; V23-C27 PolarHBondContact O-SG 3Å; H24-C27 PolarHBondContact O-N 2.83Å; C27-D44 HydrophobicContact CB-CB 4.31Å; C27-D44 WeakPolarHBondContact CB-OD2 3.08Å
28Q93.6Very high90.7Very high89 Ų8958.5 Ų58.542%0.41633%0.325SS..Hα-helixtrans-105.4-9.7-170.7-52.2-58.8-30.100113.4H24 Q30 D44H24-Q28 WeakPolarHBondContact O-CA 3.44Å; H24-Q28 VanDerWaalsContact O-CB 3.28Å; H24-Q28 WeakPolarHBondContact O-CB 3.44Å; H24-Q28 PolarHBondContact O-N 2.93Å; Q28-Q30 HydrophobicContact CB-CB 4.29Å; Q28-Q30 WeakPolarHBondContact O-CG 3.47Å; Q28-Q30 PolarHBondContact O-N 2.81Å; Q28-D44 PolarHBondContact NE2-OD2 2.72Å
29N91.7Very high89.8Confident93 Ų9364 Ų6450%0.49735%0.354SS..SBendtrans52.933.4-171.9-164.634.3000112.6L25L25-N29 WeakPolarHBondContact O-CA 3.31Å; L25-N29 PolarHBondContact O-N 2.97Å
30Q92.3Very high89Confident125 Ų12565.4 Ų65.458%0.58437%0.372SS*.SBendtrans-134.8154.8-176.9-72.2-17918.900110.9H24 L25 Q28H24-Q30 PolarHBondContact CD2-O 2.92Å; L25-Q30 WeakPolarHBondContact CA-O 3.29Å; Q28-Q30 HydrophobicContact CB-CB 4.29Å; Q28-Q30 WeakPolarHBondContact O-CG 3.47Å; Q28-Q30 PolarHBondContact O-N 2.81Å
31V92.4Very high88.6Confident60 Ų6065.9 Ų65.936%0.36438%0.375SS..  trans-76.1133.4175.8179.10000109.4G33 T181 P183V31-G33 PolarHBondContact O-N 2.88Å; V31-T181 WeakPolarHBondContact CG2-O 3.03Å; V31-P183 HydrophobicContact CG2-CG 4.5Å
32F90.5Very high88.4Confident66 Ų6668.1 Ų68.129%0.28939%0.39SS..  trans-80.7101.8175.9-163.8-142.3000110.5H24 P35H24-F32 HydrophobicContact CB-CB 3.86Å; H24-F32 HydrophobicContact CB-CD2 4.15Å; H24-F32 HydrophobicContact CB-CG 3.98Å; H24-F32 AromaticContact CD2-CD2 3.74Å; H24-F32 AromaticContact CE1-CD2 3.94Å; H24-F32 AromaticContact CG-CD2 3.63Å; H24-F32 AromaticContact CG-CG 3.9Å; H24-F32 AromaticContact ND1-CD2 3.77Å; H24-F32 AromaticContact NE2-CD2 3.92Å; F32-P35 HydrophobicContact CD1-CB 3.62Å; F32-P35 HydrophobicContact CD1-CG 4.37Å; F32-P35 VanDerWaalsContact CE1-CA 3.42Å; F32-P35 HydrophobicContact CE1-CB 3.66Å
33G79Confident88.2Confident61 Ų6171 Ų7163%0.62941%0.408SS*.SBendtrans-64.7-41.3-169.400000115V31V31-G33 PolarHBondContact O-N 2.88Å
34N79.6Confident88.1Confident153 Ų15372.6 Ų72.682%0.81842%0.416SS*.SBendtrans-13574.7-173.8-71-25000111.8S36N34-S36 PolarHBondContact O-N 3.29Å
35P78.8Confident88.1Confident70 Ų7073.4 Ų73.446%0.45542%0.424SS..PPolyproline II helixtrans-66.4120.5175.623.7-29.6000111.7F32F32-P35 HydrophobicContact CD1-CB 3.62Å; F32-P35 HydrophobicContact CD1-CG 4.37Å; F32-P35 VanDerWaalsContact CE1-CA 3.42Å; F32-P35 HydrophobicContact CE1-CB 3.66Å
36S79.7Confident88Confident95 Ų9576.6 Ų76.666%0.66444%0.436SS*.PPolyproline II helixtrans-89.2171.1165.562.70000111.2N34 T38N34-S36 PolarHBondContact O-N 3.29Å; S36-T38 PolarHBondContact O-N 3.38Å
37W79.7Confident87.9Confident215 Ų21580.5 Ų80.581%0.81446%0.459SS*.PPolyproline II helixtrans-63.7130.6173.2-64.566.7000110.2V39W37-V39 PolarHBondContact O-N 3.01Å
38T79Confident87.8Confident42 Ų4279.6 Ų79.626%0.25845%0.453SS..  trans-74.2115.1173.8-48.60000109.9S20 S36 D66S20-T38 PolarHBondContact OG-OG1 2.64Å; S36-T38 PolarHBondContact O-N 3.38Å; T38-D66 PolarHBondContact OG1-OD2 2.61Å
39V78.3Confident87.8Confident135 Ų13577.7 Ų77.782%0.81845%0.445SS*.  trans-91.7113.5173.1-179.20000108.8W37 C41W37-V39 PolarHBondContact O-N 3.01Å; V39-C41 PolarHBondContact O-N 2.72Å; V39-C41 VanDerWaalsContact O-N 3.15Å
40G79.5Confident87.8Confident41 Ų4173.7 Ų73.742%0.42342%0.423SS..SBendtrans74-101.6179.700000112.7G68G40-G68 PolarHBondContact O-N 2.89Å
41C87.7Confident87.5Confident36 Ų3671.3 Ų71.324%0.24341%0.411CS..EExtended strand (participates in β ladder)trans-143.2137.5-174.51730000110.5V39 D66 I67 F84V39-C41 PolarHBondContact O-N 2.72Å; V39-C41 VanDerWaalsContact O-N 3.15Å; C41-D66 WeakPolarHBondContact CA-O 3.34Å; C41-I67 HydrophobicContact CB-CD1 3.85Å; C41-I67 WeakPolarHBondContact SG-CD1 3.28Å; C41-F84 HydrophobicContact CB-CD1 3.95Å; C41-F84 HydrophobicContact CB-CD2 4.4Å; C41-F84 HydrophobicContact CB-CE1 3.64Å; C41-F84 HydrophobicContact CB-CE2 4.14Å; C41-F84 HydrophobicContact CB-CG 4.32Å; C41-F84 HydrophobicContact CB-CZ 3.75Å
42S91.8Very high87.1Confident67 Ų6775.1 Ų75.147%0.46943%0.425SS..EExtended strand (participates in β ladder)trans-118.3146.5167.3-175.20000109.8W65 D66S42-W65 CarbonylContact O-C 3.6Å; S42-D66 PolarHBondContact N-O 3.22Å; S42-D66 PolarHBondContact O-N 2.86Å
43V94.6Very high86.8Confident62 Ų6275.4 Ų75.438%0.37645%0.446SS..EExtended strand (participates in β ladder)trans-125.7126.8177.1-174.70000108.8E63 L64 W65V43-E63 HydrophobicContact CG1-CB 4.04Å; V43-L64 WeakPolarHBondContact CA-O 3.2Å; V43-W65 HydrophobicContact CG2-CD2 3.52Å; V43-W65 HydrophobicContact CG2-CE3 3.73Å; V43-W65 HydrophobicContact CG2-CG 3.95Å; V43-W65 HydrophobicContact CG2-CH2 4.14Å; V43-W65 HydrophobicContact CG2-CZ2 4Å; V43-W65 HydrophobicContact CG2-CZ3 4.01Å
44D96.1Very high87.3Confident42 Ų4275.3 Ų75.323%0.22543%0.433CS..EExtended strand (participates in β ladder)trans-120.3153.2167.6-157.10.2000109.2V23 C27 Q28 L64V23-D44 HydrophobicContact CG1-CB 3.65Å; C27-D44 HydrophobicContact CB-CB 4.31Å; C27-D44 WeakPolarHBondContact CB-OD2 3.08Å; Q28-D44 PolarHBondContact NE2-OD2 2.72Å; D44-L64 PolarHBondContact N-O 2.86Å; D44-L64 VanDerWaalsContact N-O 3.14Å; D44-L64 PolarHBondContact O-N 3.16Å
45V96.3Very high87.8Confident62 Ų6275 Ų7538%0.37644%0.44SS..EExtended strand (participates in β ladder)trans-117.4122.8-172.5-177.50000110.1Y61 I62 E63V45-Y61 HydrophobicContact CG1-CD1 3.92Å; V45-Y61 HydrophobicContact CG1-CG 4.46Å; V45-I62 WeakPolarHBondContact CA-O 3.16Å; V45-E63 HydrophobicContact CG2-CG 4.3Å
46R95.1Very high88.2Confident68 Ų6877.2 Ų77.226%0.25744%0.444SS..EExtended strand (participates in β ladder)trans-98.8132.9169.4173.3175.4175.4101.53109.7I26 I62I26-R46 PolarHBondContact O-NH1 2.87Å; R46-I62 HydrophobicContact CB-CB 4.3Å; R46-I62 PolarHBondContact N-O 3.33Å; R46-I62 PolarHBondContact O-N 2.92Å
47V94.7Very high88.7Confident83 Ų8377.2 Ų77.250%0.50343%0.434SS..EExtended strand (participates in β ladder)trans-80.8126.9166.7-176.90000108T59 Y61V47-T59 HydrophobicContact CG1-CG2 3.36Å; V47-Y61 HydrophobicContact CG2-CD1 4.37Å; V47-Y61 HydrophobicContact CG2-CE1 4.21Å
48Q93.5Very high89.3Confident6 Ų671.5 Ų71.53%0.02841%0.414CS..EExtended strand (participates in β ladder)trans-127.5123.6179.4178.963.746.300109.6F60 I62 S197 F200 I204Q48-F60 PolarHBondContact N-O 2.95Å; Q48-F60 PolarHBondContact O-N 3.29Å; Q48-I62 HydrophobicContact CB-CD1 3.85Å; Q48-I62 HydrophobicContact CB-CG1 3.63Å; Q48-I62 HydrophobicContact CG-CD1 4.36Å; Q48-I62 HydrophobicContact CG-CG1 4.46Å; Q48-S197 PolarHBondContact NE2-OG 2.67Å; Q48-F200 HydrophobicContact CG-CB 4.03Å; Q48-I204 HydrophobicContact CG-CD1 4.28Å
49D92.9Very high90Very high49 Ų4972.5 Ų72.526%0.26242%0.421SS..EExtended strand (participates in β ladder)trans-86.9111.8170.2-60.5-45.9000108.4E52 E57 T59D49-E52 HydrophobicContact CB-CB 4.3Å; D49-E52 HydrophobicContact CB-CG 4.43Å; D49-E57 HydrophobicContact CB-CG 4.42Å; D49-T59 WeakPolarHBondContact OD1-CB 3.24Å; D49-T59 PolarHBondContact OD1-OG1 3.08Å
50Y91.8Very high90.9Very high10 Ų1066.1 Ų66.14%0.03938%0.382CS..EExtended strand (participates in β ladder)trans-76.3131.9176.3170.1-107.5000109.3E52 E57 K58 F60 D201 I204 E205 F209Y50-E52 VanDerWaalsContact C-N 3.27Å; Y50-E52 PolarHBondContact O-N 3.26Å; Y50-E57 VanDerWaalsContact O-CA 3.28Å; Y50-E57 WeakPolarHBondContact O-CA 3.38Å; Y50-K58 WeakPolarHBondContact CB-O 3.21Å; Y50-K58 PolarHBondContact N-O 3.44Å; Y50-K58 PolarHBondContact O-N 3.23Å; Y50-K58 VanDerWaalsContact O-N 3.16Å; Y50-F60 HydrophobicContact CD1-CE2 4.26Å; Y50-F60 HydrophobicContact CG-CE2 4.14Å; Y50-D201 HydrophobicContact CD2-CB 4.07Å; Y50-D201 WeakPolarHBondContact CD2-OD1 3.48Å; Y50-D201 HydrophobicContact CE2-CB 4.2Å; Y50-I204 HydrophobicContact CD2-CB 4.34Å; Y50-I204 HydrophobicContact CD2-CD1 4.48Å; Y50-I204 HydrophobicContact CD2-CG2 4Å; Y50-I204 HydrophobicContact CE2-CG2 4.38Å; Y50-I204 HydrophobicContact CG-CG2 4.16Å; Y50-E205 HydrophobicContact CE2-CG 3.71Å; Y50-E205 WeakPolarHBondContact OH-CG 3.39Å; Y50-E205 PolarHBondContact OH-OE1 3.37Å; Y50-F209 HydrophobicContact CD1-CE2 4.07Å; Y50-F209 HydrophobicContact CE1-CD2 4.16Å; Y50-F209 AromaticContact CE1-CE2 3.47Å; Y50-F209 HydrophobicContact CE1-CE2 3.47Å; Y50-F209 VanDerWaalsContact CE1-CE2 3.47Å; Y50-F209 HydrophobicContact CE1-CZ 4.07Å; Y50-F209 HydrophobicContact CE2-CE2 4.45Å; Y50-F209 AromaticContact CZ-CD2 3.94Å; Y50-F209 AromaticContact CZ-CE2 3.68Å
51K86.3Confident91.7Very high74 Ų7468 Ų6832%0.32238%0.377SS..THydrogen-bonded Turntrans49.347-176.2-64.8-174.7171.5-177.40113.1G53 T54 E56K51-G53 PolarHBondContact O-N 3.1Å; K51-T54 HydrophobicContact CB-CG2 4.28Å; K51-T54 WeakPolarHBondContact CB-OG1 3.4Å; K51-T54 WeakPolarHBondContact O-CB 3.41Å; K51-T54 WeakPolarHBondContact O-CG2 3.38Å; K51-T54 PolarHBondContact O-N 3.41Å; K51-T54 VanDerWaalsContact O-N 3.13Å; K51-T54 PolarHBondContact O-OG1 3.38Å; K51-E56 HydrophobicContact CD-CB 4.04Å; K51-E56 WeakPolarHBondContact CD-OE2 3.38Å; K51-E56 IonicContact NZ-OE2 3.24Å; K51-E56 PolarHBondContact NZ-OE2 3.38Å
52E84.6Confident92.1Very high141 Ų14166.2 Ų66.266%0.65937%0.365SS*.THydrogen-bonded Turntrans-46.4133176.3-170.8-175174.100111.8D49 Y50 T54D49-E52 HydrophobicContact CB-CB 4.3Å; D49-E52 HydrophobicContact CB-CG 4.43Å; Y50-E52 VanDerWaalsContact C-N 3.27Å; Y50-E52 PolarHBondContact O-N 3.26Å; E52-T54 VanDerWaalsContact C-N 3.32Å; E52-T54 PolarHBondContact O-N 3.12Å
53G84.9Confident92.4Very high71 Ų7164.6 Ų64.673%0.73235%0.35SS*.THydrogen-bonded Turntrans79.58.8179.100000114.9K51 E57K51-G53 PolarHBondContact O-N 3.1Å; G53-E57 PolarHBondContact N-OE2 2.9Å
54T89.6Confident92.6Very high59 Ų5961.6 Ų61.636%0.36233%0.332SS..SBendtrans-113.2161.6174.878.20000111.7K51 E52 E56 E57K51-T54 HydrophobicContact CB-CG2 4.28Å; K51-T54 WeakPolarHBondContact CB-OG1 3.4Å; K51-T54 WeakPolarHBondContact O-CB 3.41Å; K51-T54 WeakPolarHBondContact O-CG2 3.38Å; K51-T54 PolarHBondContact O-N 3.41Å; K51-T54 VanDerWaalsContact O-N 3.13Å; K51-T54 PolarHBondContact O-OG1 3.38Å; E52-T54 VanDerWaalsContact C-N 3.32Å; E52-T54 PolarHBondContact O-N 3.12Å; T54-E56 PolarHBondContact O-N 3.12Å; T54-E56 VanDerWaalsContact O-N 3.07Å; T54-E56 PolarHBondContact OG1-N 2.79Å; T54-E57 VanDerWaalsContact O-CB 3.27Å; T54-E57 WeakPolarHBondContact O-CB 3.19Å; T54-E57 PolarHBondContact O-N 3.1Å
55P89.1Confident92.6Very high146 Ų14662.2 Ų62.295%0.94833%0.331SS*.THydrogen-bonded Turntrans-61.5-13.7172.9-23.634.9000114.8E57P55-E57 VanDerWaalsContact C-N 3.34Å
56E86.9Confident92.4Very high118 Ų11859.4 Ų59.455%0.55131%0.314SS*.THydrogen-bonded Turntrans-93.97.4177.4-62.3179.7-166.900112.6K51 T54 K58K51-E56 HydrophobicContact CD-CB 4.04Å; K51-E56 WeakPolarHBondContact CD-OE2 3.38Å; K51-E56 IonicContact NZ-OE2 3.24Å; K51-E56 PolarHBondContact NZ-OE2 3.38Å; T54-E56 PolarHBondContact O-N 3.12Å; T54-E56 VanDerWaalsContact O-N 3.07Å; T54-E56 PolarHBondContact OG1-N 2.79Å; E56-K58 PolarHBondContact O-N 3.24Å
57E91.3Very high92Very high95 Ų9556.2 Ų56.244%0.44430%0.302SS..  trans-55.5129.1-178.5-175.1178136.200111.5D49 Y50 G53 T54 P55D49-E57 HydrophobicContact CB-CG 4.42Å; Y50-E57 VanDerWaalsContact O-CA 3.28Å; Y50-E57 WeakPolarHBondContact O-CA 3.38Å; G53-E57 PolarHBondContact N-OE2 2.9Å; T54-E57 VanDerWaalsContact O-CB 3.27Å; T54-E57 WeakPolarHBondContact O-CB 3.19Å; T54-E57 PolarHBondContact O-N 3.1Å; P55-E57 VanDerWaalsContact C-N 3.34Å
58K92.4Very high91.3Very high94 Ų9452.8 Ų52.841%0.40928%0.283SS..EExtended strand (participates in β ladder)trans-147.2131.4177.6-173175.5-170.1-176.30111.2D5 Y50 E56 F60D5-K58 WeakPolarHBondContact OD2-CE 3.45Å; D5-K58 IonicContact OD2-NZ 2.64Å; D5-K58 PolarHBondContact OD2-NZ 2.88Å; Y50-K58 WeakPolarHBondContact CB-O 3.21Å; Y50-K58 PolarHBondContact N-O 3.44Å; Y50-K58 PolarHBondContact O-N 3.23Å; Y50-K58 VanDerWaalsContact O-N 3.16Å; E56-K58 PolarHBondContact O-N 3.24Å; K58-F60 HydrophobicContact CB-CD2 4.43Å; K58-F60 HydrophobicContact CB-CE2 3.83Å; K58-F60 HydrophobicContact CD-CE2 3.8Å; K58-F60 HydrophobicContact CD-CZ 3.75Å; K58-F60 HydrophobicContact CG-CD2 4.32Å; K58-F60 HydrophobicContact CG-CE2 3.77Å; K58-F60 HydrophobicContact CG-CZ 4.23Å; K58-F60 VanDerWaalsContact O-CD2 3.29Å; K58-F60 WeakPolarHBondContact O-CD2 3.28Å
59T93.8Very high90.2Very high63 Ų6354 Ų5439%0.38730%0.297SS..EExtended strand (participates in β ladder)trans-79.5128.6176.2-50.70000111.4V47 D49V47-T59 HydrophobicContact CG1-CG2 3.36Å; D49-T59 WeakPolarHBondContact OD1-CB 3.24Å; D49-T59 PolarHBondContact OD1-OG1 3.08Å
60F95.6Very high88.9Confident1 Ų154.1 Ų54.10%0.00430%0.302CS..EExtended strand (participates in β ladder)trans-119.4152.4173.3-71.2-96.4000110.8D5 Q48 Y50 K58 I204 Y208 F209D5-F60 HydrophobicContact CB-CD1 3.39Å; D5-F60 HydrophobicContact CB-CE1 3.41Å; D5-F60 VanDerWaalsContact CB-CE1 3.41Å; D5-F60 HydrophobicContact CB-CG 4.43Å; D5-F60 HydrophobicContact CB-CZ 4.46Å; Q48-F60 PolarHBondContact N-O 2.95Å; Q48-F60 PolarHBondContact O-N 3.29Å; Y50-F60 HydrophobicContact CD1-CE2 4.26Å; Y50-F60 HydrophobicContact CG-CE2 4.14Å; K58-F60 HydrophobicContact CB-CD2 4.43Å; K58-F60 HydrophobicContact CB-CE2 3.83Å; K58-F60 HydrophobicContact CD-CE2 3.8Å; K58-F60 HydrophobicContact CD-CZ 3.75Å; K58-F60 HydrophobicContact CG-CD2 4.32Å; K58-F60 HydrophobicContact CG-CE2 3.77Å; K58-F60 HydrophobicContact CG-CZ 4.23Å; K58-F60 VanDerWaalsContact O-CD2 3.29Å; K58-F60 WeakPolarHBondContact O-CD2 3.28Å; F60-I204 HydrophobicContact CB-CD1 3.81Å; F60-I204 HydrophobicContact CB-CG1 4.31Å; F60-I204 HydrophobicContact CD1-CG1 4.3Å; F60-I204 HydrophobicContact CD1-CG2 4.12Å; F60-I204 HydrophobicContact CD2-CD1 3.77Å; F60-I204 HydrophobicContact CD2-CG1 4.33Å; F60-I204 HydrophobicContact CD2-CG2 3.91Å; F60-I204 HydrophobicContact CE1-CG2 3.78Å; F60-I204 HydrophobicContact CE2-CD1 4.47Å; F60-I204 HydrophobicContact CE2-CG2 3.54Å; F60-I204 HydrophobicContact CG-CD1 3.79Å; F60-I204 HydrophobicContact CG-CG1 4.07Å; F60-I204 HydrophobicContact CG-CG2 4.19Å; F60-I204 HydrophobicContact CZ-CG2 3.46Å; F60-I204 VanDerWaalsContact CZ-CG2 3.46Å; F60-Y208 HydrophobicContact CD1-CD2 4.23Å; F60-Y208 AromaticContact CD1-CE2 3.9Å; F60-Y208 HydrophobicContact CD1-CE2 3.9Å; F60-Y208 AromaticContact CE1-CD2 3.54Å; F60-Y208 HydrophobicContact CE1-CD2 3.54Å; F60-Y208 AromaticContact CE1-CE2 3.58Å; F60-Y208 HydrophobicContact CE1-CE2 3.58Å; F60-Y208 HydrophobicContact CE1-CG 4.08Å; F60-Y208 HydrophobicContact CZ-CD2 4.32Å; F60-F209 HydrophobicContact CZ-CE2 4.37Å; F60-F209 HydrophobicContact CZ-CZ 4.27Å
61Y96.3Very high87.4Confident80 Ų8054.2 Ų54.231%0.31430%0.304SS..EExtended strand (participates in β ladder)trans-101.9109.6174-64.1-93000109.2L4 D5 R6 V7 V45 V47L4-Y61 HydrophobicContact CB-CD2 4.06Å; L4-Y61 HydrophobicContact CB-CE2 4.16Å; L4-Y61 HydrophobicContact CD2-CD2 4.25Å; L4-Y61 HydrophobicContact CD2-CE2 3.48Å; L4-Y61 VanDerWaalsContact CD2-CE2 3.48Å; L4-Y61 HydrophobicContact CG-CE2 4.25Å; D5-Y61 PolarHBondContact O-N 2.97Å; R6-Y61 VanDerWaalsContact CA-O 3.28Å; R6-Y61 WeakPolarHBondContact CA-O 3.28Å; V7-Y61 PolarHBondContact N-O 2.9Å; V45-Y61 HydrophobicContact CG1-CD1 3.92Å; V45-Y61 HydrophobicContact CG1-CG 4.46Å; V47-Y61 HydrophobicContact CG2-CD1 4.37Å; V47-Y61 HydrophobicContact CG2-CE1 4.21Å
62I97.3Very high85.9Confident0 Ų053.9 Ų53.90%032%0.321CS..EExtended strand (participates in β ladder)trans-86.8112.7175.5-42.5-60.2000108.2V7 V9 V45 R46 Q48 L64 F200 I204V7-I62 HydrophobicContact CG2-CB 4.29Å; V7-I62 HydrophobicContact CG2-CD1 3.18Å; V7-I62 HydrophobicContact CG2-CG1 4.26Å; V7-I62 HydrophobicContact CG2-CG2 4.13Å; V9-I62 HydrophobicContact CB-CG2 4.35Å; V9-I62 HydrophobicContact CG2-CG2 3.81Å; V45-I62 WeakPolarHBondContact CA-O 3.16Å; R46-I62 HydrophobicContact CB-CB 4.3Å; R46-I62 PolarHBondContact N-O 3.33Å; R46-I62 PolarHBondContact O-N 2.92Å; Q48-I62 HydrophobicContact CB-CD1 3.85Å; Q48-I62 HydrophobicContact CB-CG1 3.63Å; Q48-I62 HydrophobicContact CG-CD1 4.36Å; Q48-I62 HydrophobicContact CG-CG1 4.46Å; I62-L64 HydrophobicContact CG2-CD2 3.85Å; I62-F200 HydrophobicContact CD1-CB 4.27Å; I62-F200 HydrophobicContact CD1-CD1 4.37Å; I62-F200 HydrophobicContact CD1-CG 4.37Å; I62-F200 HydrophobicContact CG1-CD1 4.25Å; I62-F200 HydrophobicContact CG1-CG 4.27Å; I62-F200 HydrophobicContact CG2-CD1 3.84Å; I62-F200 HydrophobicContact CG2-CE1 3.66Å; I62-F200 HydrophobicContact CG2-CZ 4.31Å; I62-I204 HydrophobicContact CD1-CD1 4.03Å; I62-I204 HydrophobicContact CD1-CG1 4.34Å
63E97.8Very high84.4Confident32 Ų3249 Ų4915%0.1530%0.302CS..EExtended strand (participates in β ladder)trans-86114.5171.2-60.5-179.317400108.8R6 V7 V9 V43 V45 W65R6-E63 WeakPolarHBondContact CD-OE1 3.28Å; R6-E63 IonicContact CZ-OE1 3.85Å; R6-E63 IonicContact NH1-OE1 2.97Å; R6-E63 PolarHBondContact NH1-OE1 3.19Å; V7-E63 PolarHBondContact O-N 2.95Å; V9-E63 PolarHBondContact N-O 2.92Å; V43-E63 HydrophobicContact CG1-CB 4.04Å; V45-E63 HydrophobicContact CG2-CG 4.3Å; E63-W65 PolarHBondContact OE2-NE1 3.49Å
64L97.9Very high83Confident0 Ų048.5 Ų48.50%029%0.292CS..EExtended strand (participates in β ladder)trans-93.9109.8173.8-61-173000109.5V9 V11 V23 I26 V43 D44 I62 I92 F200V9-L64 HydrophobicContact CB-CD2 3.86Å; V9-L64 HydrophobicContact CG1-CD2 4.01Å; V11-L64 HydrophobicContact CG2-CB 4.29Å; V23-L64 HydrophobicContact CG1-CB 4Å; V23-L64 HydrophobicContact CG1-CD1 4.23Å; V23-L64 HydrophobicContact CG2-CB 4.2Å; V23-L64 HydrophobicContact CG2-CD1 4.36Å; I26-L64 HydrophobicContact CB-CD1 4.03Å; I26-L64 HydrophobicContact CD1-CD1 4.43Å; I26-L64 HydrophobicContact CG2-CD1 3.64Å; V43-L64 WeakPolarHBondContact CA-O 3.2Å; D44-L64 PolarHBondContact N-O 2.86Å; D44-L64 VanDerWaalsContact N-O 3.14Å; D44-L64 PolarHBondContact O-N 3.16Å; I62-L64 HydrophobicContact CG2-CD2 3.85Å; L64-I92 HydrophobicContact CD2-CD1 4.38Å; L64-F200 HydrophobicContact CD2-CE1 4.11Å; L64-F200 HydrophobicContact CD2-CZ 4.26Å
65W96.4Very high81.4Confident55 Ų5549.6 Ų49.621%0.20830%0.302CS..EExtended strand (participates in β ladder)trans-94.697.6-178-71.763.9000109.8K8 V9 L10 V11 S42 V43 E63 I67 F84K8-W65 HydrophobicContact CD-CD2 4.48Å; K8-W65 HydrophobicContact CG-CG 4.3Å; V9-W65 PolarHBondContact O-N 3.34Å; L10-W65 HydrophobicContact CD2-CB 3.94Å; V11-W65 PolarHBondContact N-O 3.35Å; S42-W65 CarbonylContact O-C 3.6Å; V43-W65 HydrophobicContact CG2-CD2 3.52Å; V43-W65 HydrophobicContact CG2-CE3 3.73Å; V43-W65 HydrophobicContact CG2-CG 3.95Å; V43-W65 HydrophobicContact CG2-CH2 4.14Å; V43-W65 HydrophobicContact CG2-CZ2 4Å; V43-W65 HydrophobicContact CG2-CZ3 4.01Å; E63-W65 PolarHBondContact OE2-NE1 3.49Å; W65-I67 HydrophobicContact CB-CD1 4.06Å; W65-I67 HydrophobicContact CE3-CD1 4.38Å; W65-I67 PolarHBondContact O-N 2.84Å; W65-F84 HydrophobicContact CE3-CD1 4.26Å; W65-F84 AromaticContact CZ3-CD1 3.92Å; W65-F84 HydrophobicContact CZ3-CD1 3.92Å
66D93.1Very high79.6Confident3 Ų346 Ų462%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-76.9103.6172.4178.424.3000109.7K19 S20 V23 T38 C41 S42K19-D66 VanDerWaalsContact CB-OD1 3.28Å; K19-D66 WeakPolarHBondContact CB-OD1 3.5Å; K19-D66 VanDerWaalsContact CE-OD1 3.24Å; K19-D66 WeakPolarHBondContact CE-OD1 3.46Å; S20-D66 WeakPolarHBondContact CB-OD2 3.27Å; S20-D66 PolarHBondContact OG-OD2 3.16Å; V23-D66 HydrophobicContact CG2-CB 4.3Å; T38-D66 PolarHBondContact OG1-OD2 2.61Å; C41-D66 WeakPolarHBondContact CA-O 3.34Å; S42-D66 PolarHBondContact N-O 3.22Å; S42-D66 PolarHBondContact O-N 2.86Å
67I86.8Confident78.3Confident0 Ų043.9 Ų43.90%027%0.272CS..EExtended strand (participates in β ladder)trans-96.4118.6-177.9-49.9-54.6000109.9L10 V11 L12 K19 C41 W65 R81 F84L10-I67 HydrophobicContact CD2-CG1 4.37Å; V11-I67 PolarHBondContact O-N 3.03Å; L12-I67 HydrophobicContact CD2-CB 4.01Å; L12-I67 HydrophobicContact CD2-CG1 4Å; K19-I67 WeakPolarHBondContact CE-O 3.47Å; C41-I67 HydrophobicContact CB-CD1 3.85Å; C41-I67 WeakPolarHBondContact SG-CD1 3.28Å; W65-I67 HydrophobicContact CB-CD1 4.06Å; W65-I67 HydrophobicContact CE3-CD1 4.38Å; W65-I67 PolarHBondContact O-N 2.84Å; I67-R81 HydrophobicContact CG2-CG 3.47Å; I67-R81 VanDerWaalsContact CG2-CG 3.47Å; I67-F84 HydrophobicContact CD1-CB 3.77Å; I67-F84 HydrophobicContact CD1-CD2 4.42Å; I67-F84 HydrophobicContact CD1-CG 4.03Å; I67-F84 HydrophobicContact CG2-CD2 4.49Å
68G79.1Confident76.8Confident11 Ų1141.8 Ų41.811%0.11326%0.261CS..  trans-74.1166.3174.200000113.2G40G40-G68 PolarHBondContact O-N 2.89Å
69G70.6Confident75.2Confident31 Ų3141.3 Ų41.332%0.3227%0.269SS..  trans122.1-175173.700000114.5
70S65.1Low74Confident52 Ų5242.9 Ų42.936%0.36428%0.279SS..  trans-133.5144.8179.3172.70000110.1G72 S73S70-G72 PolarHBondContact O-N 3.14Å; S70-G72 PolarHBondContact OG-N 3.49Å; S70-S73 PolarHBondContact O-N 2.9Å
71V61.2Low73.2Confident12 Ų1243.2 Ų43.27%0.07328%0.28CS..THydrogen-bonded Turntrans-67.6-16.5176.5-69.10000113.7N105 R108 W109V71-N105 HydrophobicContact CG2-CB 3.84Å; V71-R108 HydrophobicContact CB-CB 4.48Å; V71-R108 HydrophobicContact CG1-CB 4.19Å; V71-W109 HydrophobicContact CG1-CD2 3.72Å; V71-W109 HydrophobicContact CG1-CG 3.82Å; V71-W109 HydrophobicContact CG1-CZ2 3.92Å
72G53.3Low72.5Confident67 Ų6741.1 Ų41.169%0.69128%0.28SS*.THydrogen-bonded Turntrans-924.3179.100000114.6S70S70-G72 PolarHBondContact O-N 3.14Å; S70-G72 PolarHBondContact OG-N 3.49Å
73S54.4Low71.7Confident38 Ų3845.3 Ų45.327%0.26631%0.305SS..SBendtrans-74.6149.5-178.6-77.50000112.5S70S70-S73 PolarHBondContact O-N 2.9Å
74A56.1Low71Confident61 Ų6146.4 Ų46.450%0.50431%0.309SS..  trans-47.8152.5176.400000112.2S76 I77A74-S76 PolarHBondContact O-N 3.31Å; A74-I77 PolarHBondContact O-N 3.43Å
75S56.1Low70.4Confident83 Ų8346.6 Ų46.658%0.5831%0.31SS*.Hα-helixtrans-49.1-32-177.9510000113.8I77 K78 S79S75-I77 VanDerWaalsContact C-N 3.34Å; S75-I77 PolarHBondContact O-N 2.86Å; S75-K78 PolarHBondContact O-N 2.89Å; S75-S79 PolarHBondContact O-N 3.37Å; S75-S79 PolarHBondContact O-OG 3.3Å; S75-S79 VanDerWaalsContact O-OG 3.11Å
76S50.4Low69.8Low70 Ų7048.8 Ų48.849%0.4933%0.326SS..Hα-helixtrans-59.7-34.9175.152.20000114.7A74 T80A74-S76 PolarHBondContact O-N 3.31Å; S76-T80 PolarHBondContact O-N 2.71Å; S76-T80 VanDerWaalsContact O-N 3.12Å; S76-T80 PolarHBondContact O-OG1 2.99Å
77I58.7Low69.3Low73 Ų7353.6 Ų53.637%0.37436%0.36SS..Hα-helixtrans-78.9-35179.1-66.6166.5000110.5A74 S75 T80 R81A74-I77 PolarHBondContact O-N 3.43Å; S75-I77 VanDerWaalsContact C-N 3.34Å; S75-I77 PolarHBondContact O-N 2.86Å; I77-T80 PolarHBondContact O-N 2.85Å; I77-R81 WeakPolarHBondContact O-CB 3.27Å; I77-R81 PolarHBondContact O-N 3.35Å
78K60.7Low69.5Low52 Ų5254.8 Ų54.823%0.22637%0.367CS..Hα-helixtrans-60.7-46.7170-71.3-168.2166.6-164.20111.1S75 T80 R81 A82 D117S75-K78 PolarHBondContact O-N 2.89Å; K78-T80 VanDerWaalsContact C-N 3.29Å; K78-T80 PolarHBondContact O-N 2.78Å; K78-R81 PolarHBondContact O-N 3.04Å; K78-R81 VanDerWaalsContact O-N 3.14Å; K78-A82 PolarHBondContact O-N 3.13Å; K78-D117 IonicContact NZ-OD2 2.85Å; K78-D117 PolarHBondContact NZ-OD2 2.83Å
79S59.9Low70.3Confident83 Ų8355.7 Ų55.758%0.5837%0.37SS*.Hα-helixtrans-59.9-38.2176.7-590000112.7S75S75-S79 PolarHBondContact O-N 3.37Å; S75-S79 PolarHBondContact O-OG 3.3Å; S75-S79 VanDerWaalsContact O-OG 3.11Å
80T68.2Low71.5Confident96 Ų9654.2 Ų54.259%0.58935%0.354SS*.Hα-helixtrans-68.4-37176.8-55.80000111.6S76 I77 K78 V83S76-T80 PolarHBondContact O-N 2.71Å; S76-T80 VanDerWaalsContact O-N 3.12Å; S76-T80 PolarHBondContact O-OG1 2.99Å; I77-T80 PolarHBondContact O-N 2.85Å; K78-T80 VanDerWaalsContact C-N 3.29Å; K78-T80 PolarHBondContact O-N 2.78Å; T80-V83 WeakPolarHBondContact O-CG2 3.41Å
81R78.8Confident73Confident8 Ų851.8 Ų51.83%0.0334%0.337CS..Hα-helixtrans-76.3-29.8-178.2-169.2168.350.9-119.21.4113.4I67 I77 K78 V83 F84 Y85 E112I67-R81 HydrophobicContact CG2-CG 3.47Å; I67-R81 VanDerWaalsContact CG2-CG 3.47Å; I77-R81 WeakPolarHBondContact O-CB 3.27Å; I77-R81 PolarHBondContact O-N 3.35Å; K78-R81 PolarHBondContact O-N 3.04Å; K78-R81 VanDerWaalsContact O-N 3.14Å; R81-V83 PolarHBondContact O-N 3.48Å; R81-V83 VanDerWaalsContact O-N 3.09Å; R81-F84 HydrophobicContact CG-CD2 4.45Å; R81-F84 WeakPolarHBondContact O-CB 3.34Å; R81-F84 WeakPolarHBondContact O-CD2 3.25Å; R81-F84 PolarHBondContact O-N 3.44Å; R81-Y85 WeakPolarHBondContact CD-OH 3.44Å; R81-Y85 HydrophobicContact CG-CE1 4.1Å; R81-Y85 HydrophobicContact CG-CE2 4.27Å; R81-Y85 WeakPolarHBondContact CG-OH 3.44Å; R81-Y85 PolarHBondContact NE-OH 3.49Å; R81-E112 IonicContact CZ-OE1 3.78Å; R81-E112 IonicContact CZ-OE2 2.72Å; R81-E112 IonicContact NE-OE1 2.56Å; R81-E112 PolarHBondContact NE-OE1 3.27Å; R81-E112 IonicContact NH2-OE1 2.71Å; R81-E112 PolarHBondContact NH2-OE1 3.07Å; R81-E112 IonicContact NH2-OE2 3.18Å; R81-E112 PolarHBondContact NH2-OE2 2.76Å
82A79.9Confident74.8Confident36 Ų3651.2 Ų51.230%0.29833%0.334SS..Hα-helixtrans-54.9-29179.100000113.6K78 F84 Y85K78-A82 PolarHBondContact O-N 3.13Å; A82-F84 PolarHBondContact O-N 2.84Å; A82-F84 VanDerWaalsContact O-N 3.14Å; A82-Y85 PolarHBondContact O-N 2.96Å
83V80.7Confident76.9Confident89 Ų8948 Ų4854%0.53930%0.301SS..THydrogen-bonded Turntrans-58.9-27.2176.6-510000112.6T80 R81 N86T80-V83 WeakPolarHBondContact O-CG2 3.41Å; R81-V83 PolarHBondContact O-N 3.48Å; R81-V83 VanDerWaalsContact O-N 3.09Å; V83-N86 PolarHBondContact O-ND2 2.92Å
84F84.9Confident79Confident54 Ų5446.2 Ų46.224%0.23729%0.288CS..THydrogen-bonded Turntrans-84.2-12.3179.8-58-64.2000113.4K8 C41 W65 I67 R81 A82K8-F84 VanDerWaalsContact CE-O 3.3Å; K8-F84 WeakPolarHBondContact CE-O 3.44Å; K8-F84 PolarHBondContact NZ-O 3.12Å; C41-F84 HydrophobicContact CB-CD1 3.95Å; C41-F84 HydrophobicContact CB-CD2 4.4Å; C41-F84 HydrophobicContact CB-CE1 3.64Å; C41-F84 HydrophobicContact CB-CE2 4.14Å; C41-F84 HydrophobicContact CB-CG 4.32Å; C41-F84 HydrophobicContact CB-CZ 3.75Å; W65-F84 HydrophobicContact CE3-CD1 4.26Å; W65-F84 AromaticContact CZ3-CD1 3.92Å; W65-F84 HydrophobicContact CZ3-CD1 3.92Å; I67-F84 HydrophobicContact CD1-CB 3.77Å; I67-F84 HydrophobicContact CD1-CD2 4.42Å; I67-F84 HydrophobicContact CD1-CG 4.03Å; I67-F84 HydrophobicContact CG2-CD2 4.49Å; R81-F84 HydrophobicContact CG-CD2 4.45Å; R81-F84 WeakPolarHBondContact O-CB 3.34Å; R81-F84 WeakPolarHBondContact O-CD2 3.25Å; R81-F84 PolarHBondContact O-N 3.44Å; A82-F84 PolarHBondContact O-N 2.84Å; A82-F84 VanDerWaalsContact O-N 3.14Å
85Y85.1Confident80.9Confident5 Ų543.3 Ų43.32%0.0226%0.264CS..SBendtrans-88.6-7.1-175.7-57.8-27.7000114.4L10 L12 R81 A82 S87 W109 E112 A113L10-Y85 HydrophobicContact CD1-CD1 3.53Å; L10-Y85 HydrophobicContact CD1-CE1 4.17Å; L10-Y85 HydrophobicContact CD1-CG 4.3Å; L10-Y85 HydrophobicContact CD2-CD1 4.34Å; L12-Y85 HydrophobicContact CD2-CE1 3.84Å; R81-Y85 WeakPolarHBondContact CD-OH 3.44Å; R81-Y85 HydrophobicContact CG-CE1 4.1Å; R81-Y85 HydrophobicContact CG-CE2 4.27Å; R81-Y85 WeakPolarHBondContact CG-OH 3.44Å; R81-Y85 PolarHBondContact NE-OH 3.49Å; A82-Y85 PolarHBondContact O-N 2.96Å; Y85-S87 PolarHBondContact O-N 3.15Å; Y85-W109 WeakPolarHBondContact OH-CZ3 3.37Å; Y85-E112 HydrophobicContact CE2-CB 4.42Å; Y85-E112 HydrophobicContact CE2-CG 3.84Å; Y85-E112 WeakPolarHBondContact CE2-OE1 3.39Å; Y85-E112 PolarHBondContact OH-OE1 3.46Å; Y85-A113 HydrophobicContact CD1-CB 4.42Å; Y85-A113 HydrophobicContact CD2-CB 4.47Å; Y85-A113 HydrophobicContact CE1-CB 4.48Å; Y85-A113 HydrophobicContact CG-CB 4.39Å
86N82.2Confident82.9Confident100 Ų10039.8 Ų39.854%0.53524%0.239SC..THydrogen-bonded Turntrans-60.5138.7176.9-68.4-38.1000112K8 V83 V88K8-N86 PolarHBondContact NZ-O 2.87Å; V83-N86 PolarHBondContact O-ND2 2.92Å; N86-V88 VanDerWaalsContact C-N 3.3Å; N86-V88 PolarHBondContact O-N 2.94Å
87S84.4Confident85.2Confident105 Ų10536.7 Ų36.773%0.73422%0.217SC*.THydrogen-bonded Turntrans56.836.4173.6-530000114.7Y85 N89Y85-S87 PolarHBondContact O-N 3.15Å; S87-N89 PolarHBondContact O-ND2 3.15Å
88V90.6Very high87.1Confident25 Ų2536.6 Ų36.615%0.15222%0.219CC..  trans-65.2138.2174.6630000111.8L10 N86 G90 I91 V140L10-V88 HydrophobicContact CB-CG2 4.4Å; L10-V88 HydrophobicContact CD1-CB 4.04Å; L10-V88 HydrophobicContact CD1-CG2 3.75Å; L10-V88 HydrophobicContact CG-CB 4.25Å; L10-V88 HydrophobicContact CG-CG2 3.67Å; N86-V88 VanDerWaalsContact C-N 3.3Å; N86-V88 PolarHBondContact O-N 2.94Å; V88-G90 WeakPolarHBondContact CG2-O 3.44Å; V88-I91 HydrophobicContact CG2-CD1 4.42Å; V88-I91 HydrophobicContact CG2-CG1 3.74Å; V88-V140 HydrophobicContact CG1-CG1 4.47Å; V88-V140 HydrophobicContact CG1-CG2 4.15Å; V88-V140 HydrophobicContact CG2-CG1 4.17Å
89N94.6Very high88.8Confident30 Ų3037.3 Ų37.316%0.1623%0.226CC..  trans-111.6-24.4177.4-49.6134000112.8V7 K8 S87 P141 V203V7-N89 WeakPolarHBondContact CA-OD1 3.31Å; V7-N89 HydrophobicContact CB-CB 4.27Å; K8-N89 PolarHBondContact N-OD1 3.02Å; K8-N89 WeakPolarHBondContact O-CA 3.16Å; K8-N89 WeakPolarHBondContact O-CB 3.08Å; K8-N89 PolarHBondContact O-N 3Å; S87-N89 PolarHBondContact O-ND2 3.15Å; N89-P141 WeakPolarHBondContact O-CD 3.33Å; N89-V203 HydrophobicContact CB-CG1 3.75Å
90G96.2Very high90.4Very high0 Ų039.2 Ų39.20%022%0.224CC..EExtended strand (participates in β ladder)trans-153.8161.4173.300000111.3K8 V9 L10 V88 P141K8-G90 PolarHBondContact O-N 3.24Å; V9-G90 VanDerWaalsContact CA-O 3.27Å; V9-G90 WeakPolarHBondContact CA-O 3.33Å; L10-G90 PolarHBondContact N-O 3.35Å; V88-G90 WeakPolarHBondContact CG2-O 3.44Å; G90-P141 WeakPolarHBondContact CA-O 3.41Å
91I96.5Very high91.6Very high0 Ų039 Ų390%021%0.214CC..EExtended strand (participates in β ladder)trans-134132.5175.9-57.1169.1000109.6L10 L12 V88 L93 A113 L114 V140 P141 L142 L143L10-I91 HydrophobicContact CB-CG1 4.32Å; L10-I91 HydrophobicContact CD1-CG1 4.46Å; L10-I91 CarbonylContact O-C 3.5Å; L10-I91 WeakPolarHBondContact O-CA 3.41Å; L12-I91 HydrophobicContact CD1-CG2 3.84Å; L12-I91 HydrophobicContact CG-CG2 4.27Å; V88-I91 HydrophobicContact CG2-CD1 4.42Å; V88-I91 HydrophobicContact CG2-CG1 3.74Å; I91-L93 HydrophobicContact CG2-CD2 3.85Å; I91-L93 HydrophobicContact CG2-CG 4.12Å; I91-A113 HydrophobicContact CD1-CB 3.99Å; I91-L114 HydrophobicContact CD1-CD2 3.92Å; I91-L114 HydrophobicContact CD1-CG 4.11Å; I91-V140 HydrophobicContact CD1-CG1 4.15Å; I91-V140 HydrophobicContact CG1-CG1 3.92Å; I91-P141 PolarHBondContact N-O 3.19Å; I91-L142 HydrophobicContact CB-CD2 3.61Å; I91-L142 HydrophobicContact CD1-CD2 4.04Å; I91-L142 HydrophobicContact CG1-CD2 4.23Å; I91-L142 HydrophobicContact CG2-CD2 4.27Å; I91-L142 CarbonylContact O-C 3.59Å; I91-L142 WeakPolarHBondContact O-CA 3.31Å; I91-L143 PolarHBondContact O-N 3.36Å
92I98.4Very high92.3Very high0 Ų038.6 Ų38.60%021%0.213CC..EExtended strand (participates in β ladder)trans-103.4118.1167.1-59.2177.4000107.5V9 L10 V11 L12 L22 L64 V94 L143 I145 F199V9-I92 HydrophobicContact CG1-CD1 3.93Å; V9-I92 HydrophobicContact CG1-CG1 3.73Å; L10-I92 PolarHBondContact O-N 3.36Å; V11-I92 WeakPolarHBondContact CA-O 3.38Å; V11-I92 HydrophobicContact CG2-CB 4.4Å; V11-I92 HydrophobicContact CG2-CD1 4.45Å; L12-I92 PolarHBondContact N-O 3.01Å; L22-I92 HydrophobicContact CD2-CG2 4.41Å; L64-I92 HydrophobicContact CD2-CD1 4.38Å; I92-V94 HydrophobicContact CG2-CG2 3.89Å; I92-L143 CarbonylContact C-O 3.6Å; I92-L143 WeakPolarHBondContact CA-O 3.36Å; I92-L143 HydrophobicContact CD1-CD2 4.37Å; I92-L143 HydrophobicContact CG1-CB 4.27Å; I92-L143 HydrophobicContact CG1-CD2 4.25Å; I92-I145 HydrophobicContact CG2-CB 4.4Å; I92-I145 HydrophobicContact CG2-CD1 3.7Å; I92-I145 HydrophobicContact CG2-CG1 3.92Å; I92-F199 HydrophobicContact CD1-CE1 4.07Å; I92-F199 HydrophobicContact CG1-CE1 3.73Å; I92-F199 HydrophobicContact CG1-CZ 3.95Å
93L97.6Very high93.1Very high1 Ų137 Ų371%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-96.2118.1175.5-65.1175.3000109L12 I91 L106 W109 L143 L144 I145 F171L12-L93 HydrophobicContact CB-CD2 4.27Å; I91-L93 HydrophobicContact CG2-CD2 3.85Å; I91-L93 HydrophobicContact CG2-CG 4.12Å; L93-L106 HydrophobicContact CB-CD1 4.11Å; L93-L106 HydrophobicContact CB-CD2 4.13Å; L93-W109 HydrophobicContact CD2-CB 4.4Å; L93-L143 PolarHBondContact N-O 2.89Å; L93-L144 HydrophobicContact CB-CD1 4.13Å; L93-I145 PolarHBondContact O-N 3.37Å; L93-F171 HydrophobicContact CD1-CD1 3.86Å; L93-F171 HydrophobicContact CD1-CD2 4.09Å; L93-F171 HydrophobicContact CD1-CE1 3.89Å; L93-F171 HydrophobicContact CD1-CE2 4.07Å; L93-F171 HydrophobicContact CD1-CG 4Å; L93-F171 HydrophobicContact CD1-CZ 4Å
94V98.3Very high93.5Very high0 Ų036.5 Ų36.50%019%0.192CC..EExtended strand (participates in β ladder)trans-113126-172.7-168.70000110.2V11 L12 G13 V17 K19 L22 I92 L106 I145 T147V11-V94 HydrophobicContact CG1-CG2 3.62Å; L12-V94 PolarHBondContact O-N 3.05Å; G13-V94 WeakPolarHBondContact CA-O 3.36Å; V17-V94 HydrophobicContact CG2-CB 4.16Å; V17-V94 HydrophobicContact CG2-CG1 3.89Å; K19-V94 HydrophobicContact CG-CB 4.03Å; K19-V94 HydrophobicContact CG-CG1 4.32Å; K19-V94 HydrophobicContact CG-CG2 4.2Å; L22-V94 HydrophobicContact CD2-CG1 4.07Å; L22-V94 HydrophobicContact CD2-CG2 3.58Å; I92-V94 HydrophobicContact CG2-CG2 3.89Å; V94-L106 WeakPolarHBondContact O-CD2 3.33Å; V94-I145 WeakPolarHBondContact CA-O 3.41Å; V94-T147 HydrophobicContact CG1-CG2 3.61Å
95H98Very high93.9Very high0 Ų034.4 Ų34.40%018%0.183CC..EExtended strand (participates in β ladder)trans-130.7163171.971.295.3000111.7L106 I145 T147H95-L106 HydrophobicContact CB-CD1 3.98Å; H95-L106 HydrophobicContact CB-CD2 4.38Å; H95-L106 HydrophobicContact CB-CG 4.29Å; H95-I145 PolarHBondContact N-O 3.44Å; H95-T147 PolarHBondContact O-N 3.34Å; H95-T147 PolarHBondContact O-OG1 3Å
96D97.9Very high94.2Very high9 Ų934.2 Ų34.25%0.04818%0.182CC..EExtended strand (participates in β ladder)trans-94.6122.5175.7177.1-14.1000108.4V17 T98 N99 S102 K148V17-D96 HydrophobicContact CB-CB 4.12Å; V17-D96 HydrophobicContact CG1-CB 4.01Å; D96-T98 VanDerWaalsContact CG-OG1 3.23Å; D96-T98 PolarHBondContact O-N 2.94Å; D96-T98 WeakPolarHBondContact OD1-CA 3.46Å; D96-T98 WeakPolarHBondContact OD1-CB 3.22Å; D96-T98 PolarHBondContact OD1-N 3.47Å; D96-T98 PolarHBondContact OD1-OG1 2.62Å; D96-T98 PolarHBondContact OD2-OG1 2.67Å; D96-N99 HydrophobicContact CB-CB 4.03Å; D96-N99 CarbonylContact O-C 3.55Å; D96-N99 PolarHBondContact O-N 3.47Å; D96-N99 VanDerWaalsContact O-O 3.12Å; D96-S102 PolarHBondContact N-OG 2.9Å; D96-S102 PolarHBondContact O-OG 3.19Å; D96-K148 WeakPolarHBondContact OD2-CD 3.43Å; D96-K148 VanDerWaalsContact OD2-CE 3.27Å; D96-K148 WeakPolarHBondContact OD2-CE 3.32Å; D96-K148 IonicContact OD2-NZ 2.84Å; D96-K148 PolarHBondContact OD2-NZ 2.72Å
97L98.4Very high94.5Very high5 Ų529.8 Ų29.83%0.02616%0.158CC..THydrogen-bonded Turntrans-65.9-23.8-177.7-69.8165000112.6N99 T147 F149 I152 V160 T164 N177L97-N99 VanDerWaalsContact C-N 3.35Å; L97-T147 VanDerWaalsContact CB-O 3.27Å; L97-T147 WeakPolarHBondContact CB-O 3.36Å; L97-T147 WeakPolarHBondContact CD1-O 3.4Å; L97-T147 VanDerWaalsContact CG-O 3.28Å; L97-T147 WeakPolarHBondContact CG-O 3.47Å; L97-T147 PolarHBondContact N-O 3.38Å; L97-F149 HydrophobicContact CD1-CB 3.75Å; L97-F149 HydrophobicContact CD1-CD2 3.82Å; L97-F149 HydrophobicContact CD1-CG 4.28Å; L97-I152 VanDerWaalsContact C-CD1 3.48Å; L97-I152 HydrophobicContact CB-CD1 3.6Å; L97-I152 HydrophobicContact CB-CG1 3.9Å; L97-I152 WeakPolarHBondContact O-CD1 3.35Å; L97-V160 HydrophobicContact CB-CG1 4.3Å; L97-V160 HydrophobicContact CD2-CG1 3.79Å; L97-T164 HydrophobicContact CD2-CG2 3.71Å; L97-N177 HydrophobicContact CD1-CB 4.01Å; L97-N177 WeakPolarHBondContact CD2-OD1 3.32Å
98T97.3Very high94.6Very high70 Ų7027 Ų2743%0.42913%0.132SC..THydrogen-bonded Turntrans-80.6-17.7175.775.10000112.4D96 K148 Q151 I152D96-T98 VanDerWaalsContact CG-OG1 3.23Å; D96-T98 PolarHBondContact O-N 2.94Å; D96-T98 WeakPolarHBondContact OD1-CA 3.46Å; D96-T98 WeakPolarHBondContact OD1-CB 3.22Å; D96-T98 PolarHBondContact OD1-N 3.47Å; D96-T98 PolarHBondContact OD1-OG1 2.62Å; D96-T98 PolarHBondContact OD2-OG1 2.67Å; T98-K148 HydrophobicContact CG2-CB 4.24Å; T98-Q151 HydrophobicContact CG2-CB 3.66Å; T98-I152 HydrophobicContact CG2-CD1 3.83Å
99N96.1Very high94.5Very high68 Ų6825.9 Ų25.936%0.36412%0.124SC..  trans-118.893.4-176.3-179-1.4000111.6D96 L97 K101 S102D96-N99 HydrophobicContact CB-CB 4.03Å; D96-N99 CarbonylContact O-C 3.55Å; D96-N99 PolarHBondContact O-N 3.47Å; D96-N99 VanDerWaalsContact O-O 3.12Å; L97-N99 VanDerWaalsContact C-N 3.35Å; N99-K101 PolarHBondContact O-N 3.06Å; N99-K101 VanDerWaalsContact O-N 3.1Å; N99-K101 WeakPolarHBondContact OD1-CB 3.48Å; N99-K101 PolarHBondContact OD1-N 3.4Å; N99-S102 WeakPolarHBondContact O-CB 3.47Å; N99-S102 PolarHBondContact O-N 3.33Å; N99-S102 PolarHBondContact O-OG 3Å; N99-S102 PolarHBondContact OD1-N 2.64Å
100K94.7Very high94.2Very high123 Ų12324.4 Ų24.454%0.53512%0.117SC..Hα-helixtrans-55.5-29.1177.8-174.4174.8178.9176.40113.7S102 S103 Q104K100-S102 VanDerWaalsContact C-N 3.31Å; K100-S102 PolarHBondContact O-N 2.69Å; K100-S103 PolarHBondContact O-N 3.34Å; K100-S103 PolarHBondContact O-OG 3.41Å; K100-Q104 PolarHBondContact O-N 2.98Å
101K92.5Very high93.6Very high90 Ų9025.8 Ų25.839%0.39112%0.123SC..Hα-helixtrans-66.9-36178.5-174.456.7177174.20111.6N99 S103 Q104 N105N99-K101 PolarHBondContact O-N 3.06Å; N99-K101 VanDerWaalsContact O-N 3.1Å; N99-K101 WeakPolarHBondContact OD1-CB 3.48Å; N99-K101 PolarHBondContact OD1-N 3.4Å; K101-S103 VanDerWaalsContact C-N 3.32Å; K101-S103 PolarHBondContact O-N 3.28Å; K101-Q104 WeakPolarHBondContact O-CB 3.05Å; K101-Q104 PolarHBondContact O-N 3.19Å; K101-Q104 VanDerWaalsContact O-N 3.16Å; K101-N105 PolarHBondContact O-N 2.83Å
102S95Very high93Very high0 Ų026.4 Ų26.40%013%0.127CC..Hα-helixtrans-62.1-38.6178.772.30000112.4D96 N99 K100 N105D96-S102 PolarHBondContact N-OG 2.9Å; D96-S102 PolarHBondContact O-OG 3.19Å; N99-S102 WeakPolarHBondContact O-CB 3.47Å; N99-S102 PolarHBondContact O-N 3.33Å; N99-S102 PolarHBondContact O-OG 3Å; N99-S102 PolarHBondContact OD1-N 2.64Å; K100-S102 VanDerWaalsContact C-N 3.31Å; K100-S102 PolarHBondContact O-N 2.69Å; S102-N105 PolarHBondContact O-N 3.4Å
103S94.9Very high92.4Very high4 Ų426.5 Ų26.53%0.02813%0.127CC..Hα-helixtrans-67.8-36.3174.448.30000113.2K100 K101 N105 L106 R163K100-S103 PolarHBondContact O-N 3.34Å; K100-S103 PolarHBondContact O-OG 3.41Å; K101-S103 VanDerWaalsContact C-N 3.32Å; K101-S103 PolarHBondContact O-N 3.28Å; S103-N105 VanDerWaalsContact C-N 3.28Å; S103-N105 PolarHBondContact O-N 3.45Å; S103-L106 WeakPolarHBondContact O-CB 3.44Å; S103-L106 WeakPolarHBondContact O-CG 3.29Å; S103-L106 PolarHBondContact O-N 3.48Å; S103-R163 PolarHBondContact OG-NH1 3.36Å
104Q90.8Very high91.6Very high77 Ų7728.4 Ų28.436%0.3614%0.137SC..Hα-helixtrans-67.9-31.4175.9-68.1173.1-17.500112K100 K101 L106 Y107K100-Q104 PolarHBondContact O-N 2.98Å; K101-Q104 WeakPolarHBondContact O-CB 3.05Å; K101-Q104 PolarHBondContact O-N 3.19Å; K101-Q104 VanDerWaalsContact O-N 3.16Å; Q104-L106 PolarHBondContact O-N 3.49Å; Q104-Y107 WeakPolarHBondContact O-CD2 3.32Å
105N91.6Very high90.3Very high11 Ų1134 Ų346%0.05917%0.167CC..Hα-helixtrans-73.3-13.3178.6-72.4-20.8000112.7D14 V71 K101 S102 S103 Y107 R108 W109D14-N105 PolarHBondContact OD2-ND2 3.09Å; V71-N105 HydrophobicContact CG2-CB 3.84Å; K101-N105 PolarHBondContact O-N 2.83Å; S102-N105 PolarHBondContact O-N 3.4Å; S103-N105 VanDerWaalsContact C-N 3.28Å; S103-N105 PolarHBondContact O-N 3.45Å; N105-Y107 VanDerWaalsContact C-N 3.3Å; N105-Y107 PolarHBondContact O-N 2.87Å; N105-R108 WeakPolarHBondContact O-CB 3.34Å; N105-R108 PolarHBondContact O-N 3.29Å; N105-R108 VanDerWaalsContact O-N 3.11Å; N105-W109 VanDerWaalsContact O-CD1 3.31Å; N105-W109 PolarHBondContact O-N 2.96Å
106L92Very high88.6Confident0 Ų036.8 Ų36.80%018%0.179CC..Hα-helixtrans-62.1-33.8177.9-64-174.9000113.3L93 V94 H95 S103 Q104 R108 W109 S110 L144 L167 F171L93-L106 HydrophobicContact CB-CD1 4.11Å; L93-L106 HydrophobicContact CB-CD2 4.13Å; V94-L106 WeakPolarHBondContact O-CD2 3.33Å; H95-L106 HydrophobicContact CB-CD1 3.98Å; H95-L106 HydrophobicContact CB-CD2 4.38Å; H95-L106 HydrophobicContact CB-CG 4.29Å; S103-L106 WeakPolarHBondContact O-CB 3.44Å; S103-L106 WeakPolarHBondContact O-CG 3.29Å; S103-L106 PolarHBondContact O-N 3.48Å; Q104-L106 PolarHBondContact O-N 3.49Å; L106-R108 VanDerWaalsContact C-N 3.26Å; L106-R108 PolarHBondContact O-N 2.97Å; L106-W109 PolarHBondContact O-N 3.48Å; L106-S110 PolarHBondContact O-N 2.93Å; L106-S110 PolarHBondContact O-OG 3.44Å; L106-L144 HydrophobicContact CD1-CD1 3.34Å; L106-L167 HydrophobicContact CD1-CD2 4.08Å; L106-F171 HydrophobicContact CB-CE2 3.96Å; L106-F171 HydrophobicContact CB-CZ 3.85Å; L106-F171 HydrophobicContact CD1-CE2 4.42Å
107Y88.7Confident86.5Confident8 Ų839.2 Ų39.23%0.03119%0.192CC..Hα-helixtrans-60.7-39.4175-60.5-76.9000111.2Q104 N105 S110 M111 Y130 L167 D170 F171Q104-Y107 WeakPolarHBondContact O-CD2 3.32Å; N105-Y107 VanDerWaalsContact C-N 3.3Å; N105-Y107 PolarHBondContact O-N 2.87Å; Y107-S110 PolarHBondContact O-OG 2.93Å; Y107-M111 WeakPolarHBondContact O-CB 3.5Å; Y107-M111 WeakPolarHBondContact O-CE 3.14Å; Y107-M111 VanDerWaalsContact O-CG 3.22Å; Y107-M111 WeakPolarHBondContact O-CG 3.32Å; Y107-M111 PolarHBondContact O-N 2.8Å; Y107-Y130 HydrophobicContact CD1-CD1 4.27Å; Y107-Y130 AromaticContact CD1-CD2 3.4Å; Y107-Y130 HydrophobicContact CD1-CD2 3.4Å; Y107-Y130 VanDerWaalsContact CD1-CD2 3.4Å; Y107-Y130 AromaticContact CD1-CE2 3.82Å; Y107-Y130 HydrophobicContact CD1-CE2 3.82Å; Y107-Y130 AromaticContact CD1-CG 3.62Å; Y107-Y130 HydrophobicContact CD1-CG 3.62Å; Y107-Y130 HydrophobicContact CE1-CD1 4.19Å; Y107-Y130 HydrophobicContact CE1-CD2 4.14Å; Y107-Y130 AromaticContact CE1-CG 3.91Å; Y107-Y130 HydrophobicContact CE1-CG 3.91Å; Y107-Y130 HydrophobicContact CG-CD2 4.31Å; Y107-L167 HydrophobicContact CE1-CD1 4.33Å; Y107-L167 HydrophobicContact CE2-CD1 3.88Å; Y107-L167 WeakPolarHBondContact OH-CD1 3.38Å; Y107-D170 HydrophobicContact CE1-CB 4.08Å; Y107-D170 PolarHBondContact OH-OD2 3.2Å; Y107-F171 AromaticContact CD1-CE1 3.9Å; Y107-F171 HydrophobicContact CD1-CE1 3.9Å; Y107-F171 HydrophobicContact CD1-CE2 4.42Å; Y107-F171 AromaticContact CD1-CZ 3.58Å; Y107-F171 HydrophobicContact CD1-CZ 3.58Å; Y107-F171 HydrophobicContact CE1-CE1 4.36Å; Y107-F171 HydrophobicContact CE1-CE2 4.34Å; Y107-F171 AromaticContact CE1-CZ 3.92Å; Y107-F171 HydrophobicContact CE1-CZ 3.92Å; Y107-F171 HydrophobicContact CG-CZ 4.03Å
108R85.6Confident83.9Confident47 Ų4744.9 Ų44.918%0.17723%0.232CC..Hα-helixtrans-69-43175.8-66.2176.2175.4173.7-4.5111.4V71 N105 L106 S110 M111 E112 V123 V125V71-R108 HydrophobicContact CB-CB 4.48Å; V71-R108 HydrophobicContact CG1-CB 4.19Å; N105-R108 WeakPolarHBondContact O-CB 3.34Å; N105-R108 PolarHBondContact O-N 3.29Å; N105-R108 VanDerWaalsContact O-N 3.11Å; L106-R108 VanDerWaalsContact C-N 3.26Å; L106-R108 PolarHBondContact O-N 2.97Å; R108-S110 VanDerWaalsContact C-N 3.34Å; R108-S110 PolarHBondContact O-N 2.88Å; R108-M111 HydrophobicContact CG-CE 4.49Å; R108-M111 PolarHBondContact O-N 3.39Å; R108-E112 VanDerWaalsContact O-CB 3.25Å; R108-E112 WeakPolarHBondContact O-CB 3.43Å; R108-E112 PolarHBondContact O-N 3.22Å; R108-V123 PolarHBondContact NE-O 3.06Å; R108-V123 PolarHBondContact NH2-O 3.22Å; R108-V125 HydrophobicContact CG-CG2 3.77Å
109W89.5Confident81.2Confident0 Ų044.3 Ų44.30%023%0.231CC..Hα-helixtrans-59.5-43.2176.3-80.6113.9000112.4L12 G13 D14 V71 Y85 L93 N105 L106 A113L12-W109 HydrophobicContact CB-CB 4.26Å; L12-W109 HydrophobicContact CB-CD2 4.32Å; L12-W109 HydrophobicContact CB-CE3 4.11Å; L12-W109 HydrophobicContact CB-CG 4.42Å; L12-W109 HydrophobicContact CD2-CE3 4.23Å; L12-W109 HydrophobicContact CD2-CZ3 4.36Å; G13-W109 VanDerWaalsContact O-CZ2 3.28Å; G13-W109 WeakPolarHBondContact O-CZ2 3.28Å; D14-W109 PolarHBondContact OD1-NE1 2.77Å; V71-W109 HydrophobicContact CG1-CD2 3.72Å; V71-W109 HydrophobicContact CG1-CG 3.82Å; V71-W109 HydrophobicContact CG1-CZ2 3.92Å; Y85-W109 WeakPolarHBondContact OH-CZ3 3.37Å; L93-W109 HydrophobicContact CD2-CB 4.4Å; N105-W109 VanDerWaalsContact O-CD1 3.31Å; N105-W109 PolarHBondContact O-N 2.96Å; L106-W109 PolarHBondContact O-N 3.48Å; W109-A113 WeakPolarHBondContact O-CB 3.35Å; W109-A113 PolarHBondContact O-N 3.07Å; W109-A113 VanDerWaalsContact O-N 3.1Å
110S87.5Confident78.5Confident0 Ų046.5 Ų46.50%025%0.249CC..Hα-helixtrans-69.8-43.7179.869.70000112.2L106 Y107 R108 E112 A113 L114 F171L106-S110 PolarHBondContact O-N 2.93Å; L106-S110 PolarHBondContact O-OG 3.44Å; Y107-S110 PolarHBondContact O-OG 2.93Å; R108-S110 VanDerWaalsContact C-N 3.34Å; R108-S110 PolarHBondContact O-N 2.88Å; S110-E112 VanDerWaalsContact C-N 3.33Å; S110-E112 PolarHBondContact O-N 2.77Å; S110-A113 PolarHBondContact O-N 3.32Å; S110-L114 WeakPolarHBondContact O-CB 3.36Å; S110-L114 VanDerWaalsContact O-CG 3.32Å; S110-L114 WeakPolarHBondContact O-CG 3.46Å; S110-L114 PolarHBondContact O-N 2.95Å; S110-L114 VanDerWaalsContact O-N 3.08Å; S110-F171 WeakPolarHBondContact OG-CE1 3.44Å
111M84Confident75.8Confident28 Ų2845.3 Ų45.314%0.13825%0.252CS..Hα-helixtrans-62.3-41176.3-71.7-173.4-56.200112Y107 R108 L114 N115 K116 V125Y107-M111 WeakPolarHBondContact O-CB 3.5Å; Y107-M111 WeakPolarHBondContact O-CE 3.14Å; Y107-M111 VanDerWaalsContact O-CG 3.22Å; Y107-M111 WeakPolarHBondContact O-CG 3.32Å; Y107-M111 PolarHBondContact O-N 2.8Å; R108-M111 HydrophobicContact CG-CE 4.49Å; R108-M111 PolarHBondContact O-N 3.39Å; M111-L114 PolarHBondContact O-N 3.36Å; M111-N115 PolarHBondContact O-N 2.98Å; M111-K116 HydrophobicContact CB-CB 4.44Å; M111-K116 PolarHBondContact O-N 3.38Å; M111-V125 HydrophobicContact CE-CB 4.49Å; M111-V125 HydrophobicContact CE-CG1 4.17Å; M111-V125 HydrophobicContact CE-CG2 3.58Å
112E84Confident73.3Confident14 Ų1444.8 Ų44.87%0.06527%0.272CS..Hα-helixtrans-63.5-46.8177.8-162.9-170.3100.700111.7R81 Y85 R108 S110 L114 N115R81-E112 IonicContact CZ-OE1 3.78Å; R81-E112 IonicContact CZ-OE2 2.72Å; R81-E112 IonicContact NE-OE1 2.56Å; R81-E112 PolarHBondContact NE-OE1 3.27Å; R81-E112 IonicContact NH2-OE1 2.71Å; R81-E112 PolarHBondContact NH2-OE1 3.07Å; R81-E112 IonicContact NH2-OE2 3.18Å; R81-E112 PolarHBondContact NH2-OE2 2.76Å; Y85-E112 HydrophobicContact CE2-CB 4.42Å; Y85-E112 HydrophobicContact CE2-CG 3.84Å; Y85-E112 WeakPolarHBondContact CE2-OE1 3.39Å; Y85-E112 PolarHBondContact OH-OE1 3.46Å; R108-E112 VanDerWaalsContact O-CB 3.25Å; R108-E112 WeakPolarHBondContact O-CB 3.43Å; R108-E112 PolarHBondContact O-N 3.22Å; S110-E112 VanDerWaalsContact C-N 3.33Å; S110-E112 PolarHBondContact O-N 2.77Å; E112-L114 VanDerWaalsContact C-N 3.28Å; E112-L114 PolarHBondContact O-N 2.92Å; E112-N115 PolarHBondContact O-N 3.08Å
113A85.4Confident70.5Confident2 Ų247.9 Ų47.92%0.01729%0.291CS..Hα-helixtrans-67.5-28.4-179.400000113.6L10 L12 Y85 I91 W109 S110 N115L10-A113 HydrophobicContact CD1-CB 4.17Å; L12-A113 HydrophobicContact CD1-CB 3.47Å; L12-A113 VanDerWaalsContact CD1-CB 3.47Å; Y85-A113 HydrophobicContact CD1-CB 4.42Å; Y85-A113 HydrophobicContact CD2-CB 4.47Å; Y85-A113 HydrophobicContact CE1-CB 4.48Å; Y85-A113 HydrophobicContact CG-CB 4.39Å; I91-A113 HydrophobicContact CD1-CB 3.99Å; W109-A113 WeakPolarHBondContact O-CB 3.35Å; W109-A113 PolarHBondContact O-N 3.07Å; W109-A113 VanDerWaalsContact O-N 3.1Å; S110-A113 PolarHBondContact O-N 3.32Å; A113-N115 VanDerWaalsContact C-N 3.33Å
114L82.4Confident68Low40 Ų4053.8 Ų53.821%0.20932%0.321CS..THydrogen-bonded Turntrans-9510.9-179.6-62.8169.2000112.5I91 S110 M111 E112 K116 F135 V140I91-L114 HydrophobicContact CD1-CD2 3.92Å; I91-L114 HydrophobicContact CD1-CG 4.11Å; S110-L114 WeakPolarHBondContact O-CB 3.36Å; S110-L114 VanDerWaalsContact O-CG 3.32Å; S110-L114 WeakPolarHBondContact O-CG 3.46Å; S110-L114 PolarHBondContact O-N 2.95Å; S110-L114 VanDerWaalsContact O-N 3.08Å; M111-L114 PolarHBondContact O-N 3.36Å; E112-L114 VanDerWaalsContact C-N 3.28Å; E112-L114 PolarHBondContact O-N 2.92Å; L114-K116 HydrophobicContact CB-CD 4.46Å; L114-K116 HydrophobicContact CB-CG 4.25Å; L114-K116 PolarHBondContact O-N 3.22Å; L114-F135 HydrophobicContact CD1-CD1 4.05Å; L114-F135 HydrophobicContact CD1-CE1 3.44Å; L114-F135 VanDerWaalsContact CD1-CE1 3.44Å; L114-V140 HydrophobicContact CD2-CB 4.05Å; L114-V140 HydrophobicContact CD2-CG2 3.8Å
115N70.4Confident65.9Low118 Ų11851.1 Ų51.163%0.63131%0.31SS*.THydrogen-bonded Turntrans53.734.5-179.7-65.9-42.9000113.5M111 E112 A113M111-N115 PolarHBondContact O-N 2.98Å; E112-N115 PolarHBondContact O-N 3.08Å; A113-N115 VanDerWaalsContact C-N 3.33Å
116K61.5Low63.6Low59 Ų5953.7 Ų53.726%0.25733%0.329SS..  trans-95.4-2.3176.9-61.9-174.2176.7179.10113.3M111 L114 S118 Q134 F135M111-K116 HydrophobicContact CB-CB 4.44Å; M111-K116 PolarHBondContact O-N 3.38Å; L114-K116 HydrophobicContact CB-CD 4.46Å; L114-K116 HydrophobicContact CB-CG 4.25Å; L114-K116 PolarHBondContact O-N 3.22Å; K116-S118 VanDerWaalsContact C-N 3.32Å; K116-S118 PolarHBondContact O-N 3.3Å; K116-Q134 VanDerWaalsContact NZ-C 3.34Å; K116-Q134 PolarHBondContact NZ-O 2.84Å; K116-F135 HydrophobicContact CD-CE1 4.3Å; K116-F135 HydrophobicContact CD-CZ 3.99Å; K116-F135 VanDerWaalsContact NZ-CD1 3.32Å; K116-F135 VanDerWaalsContact NZ-CE1 3.27Å; K116-F135 VanDerWaalsContact NZ-CZ 3.34Å
117D54.2Low61.6Low60 Ų6059 Ų5932%0.32136%0.357SS..  trans-72.882171-100.89.1000109.7K78 S119K78-D117 IonicContact NZ-OD2 2.85Å; K78-D117 PolarHBondContact NZ-OD2 2.83Å; D117-S119 VanDerWaalsContact C-N 3.28Å
118S44.4Very low59.3Low123 Ų12361.9 Ų61.986%0.8639%0.389SS*.  trans-81.6-2.7171.552.50000113.4K116K116-S118 VanDerWaalsContact C-N 3.32Å; K116-S118 PolarHBondContact O-N 3.3Å
119S39.7Very low57.7Low59 Ų5964.4 Ų64.441%0.41341%0.406SS..  trans-137124.617377.20000113.3D117 T121D117-S119 VanDerWaalsContact C-N 3.28Å; S119-T121 PolarHBondContact O-N 3.34Å; S119-T121 VanDerWaalsContact O-N 3.1Å
120P40.4Very low56.3Low113 Ų11365.3 Ų65.373%0.73441%0.41SS*.  trans-86.766.517336.2-31.6000108.8
121T36.6Very low55Low99 Ų9968.3 Ų68.361%0.60743%0.426SS*.SBendtrans-135.1138.2175.611.30000108.9S119 V123S119-T121 PolarHBondContact O-N 3.34Å; S119-T121 VanDerWaalsContact O-N 3.1Å; T121-V123 PolarHBondContact O-N 2.93Å
122G40.5Very low53.8Low79 Ų7974.1 Ų74.181%0.81445%0.446SS*.  trans-65.757.4-173.900000114.3I124G122-I124 PolarHBondContact O-N 3.11Å
123V36.7Very low52.6Low64 Ų6481 Ų8139%0.38848%0.479SS..  trans-67.1114.5171-177.70000106.3R108 T121 V125R108-V123 PolarHBondContact NE-O 3.06Å; R108-V123 PolarHBondContact NH2-O 3.22Å; T121-V123 PolarHBondContact O-N 2.93Å; V123-V125 PolarHBondContact O-N 3.36Å
124I41.3Very low51.2Low128 Ų12886.3 Ų86.366%0.65650%0.503SS*.  trans-56.898.9156.4-61.8171.7000103.8G122 S126G122-I124 PolarHBondContact O-N 3.11Å; I124-S126 PolarHBondContact O-N 3.37Å
125V47.8Very low49.9Very low21 Ų2185.8 Ų85.813%0.12750%0.499CS..  trans-64.695.2173-173.90000103.9R108 M111 V123 D129R108-V125 HydrophobicContact CG-CG2 3.77Å; M111-V125 HydrophobicContact CE-CB 4.49Å; M111-V125 HydrophobicContact CE-CG1 4.17Å; M111-V125 HydrophobicContact CE-CG2 3.58Å; V123-V125 PolarHBondContact O-N 3.36Å; V125-D129 HydrophobicContact CG1-CB 4.38Å
126S43.4Very low49.2Very low65 Ų6585.6 Ų85.646%0.45550%0.502SS..  trans-71.2155.7165.572.30000106.6I124 G128 D129I124-S126 PolarHBondContact O-N 3.37Å; S126-G128 PolarHBondContact O-N 3.38Å; S126-D129 PolarHBondContact O-N 2.83Å; S126-D129 VanDerWaalsContact O-N 3.13Å
127N48.6Very low48.7Very low113 Ų11391.4 Ų91.460%0.60453%0.53SS*.THydrogen-bonded Turntrans-51.5-11.4178-7535.6000114.2
128G42.2Very low48.8Very low68 Ų6895 Ų9570%0.70155%0.549SS*.THydrogen-bonded Turntrans-85.3-15.6179.500000117S126S126-G128 PolarHBondContact O-N 3.38Å
129D52.1Low50.3Low100 Ų10091.1 Ų91.154%0.53552%0.524SS..SBendtrans-97.8-2.3179.8-66.3-39.2000113V125 S126 D131V125-D129 HydrophobicContact CG1-CB 4.38Å; S126-D129 PolarHBondContact O-N 2.83Å; S126-D129 VanDerWaalsContact O-N 3.13Å; D129-D131 PolarHBondContact O-N 2.96Å
130Y59Low52.7Low18 Ų1889.6 Ų89.67%0.07151%0.513CS..  trans-84.998175.9-171.7-96.5000109.8Y107 R132 F135 D170 F171Y107-Y130 HydrophobicContact CD1-CD1 4.27Å; Y107-Y130 AromaticContact CD1-CD2 3.4Å; Y107-Y130 HydrophobicContact CD1-CD2 3.4Å; Y107-Y130 VanDerWaalsContact CD1-CD2 3.4Å; Y107-Y130 AromaticContact CD1-CE2 3.82Å; Y107-Y130 HydrophobicContact CD1-CE2 3.82Å; Y107-Y130 AromaticContact CD1-CG 3.62Å; Y107-Y130 HydrophobicContact CD1-CG 3.62Å; Y107-Y130 HydrophobicContact CE1-CD1 4.19Å; Y107-Y130 HydrophobicContact CE1-CD2 4.14Å; Y107-Y130 AromaticContact CE1-CG 3.91Å; Y107-Y130 HydrophobicContact CE1-CG 3.91Å; Y107-Y130 HydrophobicContact CG-CD2 4.31Å; Y130-R132 HydrophobicContact CD1-CG 4.28Å; Y130-R132 HydrophobicContact CE1-CG 4.46Å; Y130-R132 PolarHBondContact O-N 2.87Å; Y130-R132 VanDerWaalsContact O-N 3.16Å; Y130-F135 HydrophobicContact CD2-CE2 4.38Å; Y130-F135 HydrophobicContact CE1-CD2 4.37Å; Y130-F135 HydrophobicContact CE1-CE2 4.11Å; Y130-F135 AromaticContact CE2-CE2 3.64Å; Y130-F135 HydrophobicContact CE2-CE2 3.64Å; Y130-F135 AromaticContact CE2-CZ 3.65Å; Y130-F135 HydrophobicContact CE2-CZ 3.65Å; Y130-F135 AromaticContact CZ-CE2 3.49Å; Y130-F135 VanDerWaalsContact CZ-CE2 3.49Å; Y130-F135 AromaticContact CZ-CZ 3.75Å; Y130-F135 WeakPolarHBondContact OH-CE2 3.34Å; Y130-F135 WeakPolarHBondContact OH-CZ 3.26Å; Y130-D170 VanDerWaalsContact CE1-O 3.22Å; Y130-D170 WeakPolarHBondContact CE1-O 3.35Å; Y130-F171 HydrophobicContact CE2-CD1 4.36Å; Y130-F171 AromaticContact CE2-CE1 3.91Å; Y130-F171 HydrophobicContact CE2-CE1 3.91Å; Y130-F171 AromaticContact CZ-CD1 3.89Å; Y130-F171 AromaticContact CZ-CE1 3.9Å; Y130-F171 VanDerWaalsContact OH-CD1 3.26Å; Y130-F171 WeakPolarHBondContact OH-CD1 3.17Å
131D61.3Low55.3Low64 Ų6484.5 Ų84.534%0.34248%0.48SS..  trans-74.9103178.5-172.7-10000110.6D129 E133 Q134 F135D129-D131 PolarHBondContact O-N 2.96Å; D131-E133 PolarHBondContact O-N 2.97Å; D131-E133 WeakPolarHBondContact OD1-CB 3.49Å; D131-E133 PolarHBondContact OD1-N 3.19Å; D131-Q134 HydrophobicContact CB-CB 4.33Å; D131-Q134 HydrophobicContact CB-CG 3.95Å; D131-Q134 PolarHBondContact O-N 2.73Å; D131-Q134 VanDerWaalsContact OD2-CG 3.32Å; D131-Q134 WeakPolarHBondContact OD2-CG 3.49Å; D131-Q134 PolarHBondContact OD2-NE2 3.4Å; D131-F135 VanDerWaalsContact O-CD2 3.29Å; D131-F135 WeakPolarHBondContact O-CD2 3.47Å; D131-F135 WeakPolarHBondContact O-CE2 3.47Å
132R58.6Low58.1Low149 Ų14980.7 Ų80.756%0.56246%0.455SS*.G310 helixtrans-60.8-28.2178.3-69.1-178.5177.5-178.9-1.8112.3Y130 D170Y130-R132 HydrophobicContact CD1-CG 4.28Å; Y130-R132 HydrophobicContact CE1-CG 4.46Å; Y130-R132 PolarHBondContact O-N 2.87Å; Y130-R132 VanDerWaalsContact O-N 3.16Å; R132-D170 IonicContact CZ-OD1 3.61Å; R132-D170 VanDerWaalsContact CZ-OD1 3.32Å; R132-D170 IonicContact NE-OD1 2.7Å; R132-D170 PolarHBondContact NE-OD1 3.43Å; R132-D170 IonicContact NH2-OD1 3.32Å; R132-D170 PolarHBondContact NH2-OD1 3.14Å
133E57.7Low60.8Low160 Ų16077 Ų7775%0.74842%0.417SS*.G310 helixtrans-76.4-26.9-176.1-61-176.2174.800112.1D131 F135 V136D131-E133 PolarHBondContact O-N 2.97Å; D131-E133 WeakPolarHBondContact OD1-CB 3.49Å; D131-E133 PolarHBondContact OD1-N 3.19Å; E133-F135 PolarHBondContact O-N 3.01Å; E133-V136 PolarHBondContact O-N 3.3Å
134Q56.8Low63.7Low112 Ų11273.9 Ų73.952%0.52340%0.398SS..G310 helixtrans-64.5-7.9176.5-77.3175.427.300114.2K116 D131K116-Q134 VanDerWaalsContact NZ-C 3.34Å; K116-Q134 PolarHBondContact NZ-O 2.84Å; D131-Q134 HydrophobicContact CB-CB 4.33Å; D131-Q134 HydrophobicContact CB-CG 3.95Å; D131-Q134 PolarHBondContact O-N 2.73Å; D131-Q134 VanDerWaalsContact OD2-CG 3.32Å; D131-Q134 WeakPolarHBondContact OD2-CG 3.49Å; D131-Q134 PolarHBondContact OD2-NE2 3.4Å
135F54.3Low66.5Low30 Ų3067.8 Ų67.813%0.13237%0.367CS..G310 helixtrans-110.25.7-179-62-96.1000113.3L114 K116 Y130 D131 E133 A139L114-F135 HydrophobicContact CD1-CD1 4.05Å; L114-F135 HydrophobicContact CD1-CE1 3.44Å; L114-F135 VanDerWaalsContact CD1-CE1 3.44Å; K116-F135 HydrophobicContact CD-CE1 4.3Å; K116-F135 HydrophobicContact CD-CZ 3.99Å; K116-F135 VanDerWaalsContact NZ-CD1 3.32Å; K116-F135 VanDerWaalsContact NZ-CE1 3.27Å; K116-F135 VanDerWaalsContact NZ-CZ 3.34Å; Y130-F135 HydrophobicContact CD2-CE2 4.38Å; Y130-F135 HydrophobicContact CE1-CD2 4.37Å; Y130-F135 HydrophobicContact CE1-CE2 4.11Å; Y130-F135 AromaticContact CE2-CE2 3.64Å; Y130-F135 HydrophobicContact CE2-CE2 3.64Å; Y130-F135 AromaticContact CE2-CZ 3.65Å; Y130-F135 HydrophobicContact CE2-CZ 3.65Å; Y130-F135 AromaticContact CZ-CE2 3.49Å; Y130-F135 VanDerWaalsContact CZ-CE2 3.49Å; Y130-F135 AromaticContact CZ-CZ 3.75Å; Y130-F135 WeakPolarHBondContact OH-CE2 3.34Å; Y130-F135 WeakPolarHBondContact OH-CZ 3.26Å; D131-F135 VanDerWaalsContact O-CD2 3.29Å; D131-F135 WeakPolarHBondContact O-CD2 3.47Å; D131-F135 WeakPolarHBondContact O-CE2 3.47Å; E133-F135 PolarHBondContact O-N 3.01Å; F135-A139 HydrophobicContact CB-CB 4.28Å; F135-A139 WeakPolarHBondContact O-CB 3.22Å
136V56Low68.9Low113 Ų11366.8 Ų66.869%0.68536%0.361SS*.THydrogen-bonded Turntrans-84.5-28.2-170.2-179.80000113E133E133-V136 PolarHBondContact O-N 3.3Å
137E50.7Low71.5Confident182 Ų18263.8 Ų63.885%0.8534%0.339SS*.THydrogen-bonded Turntrans-101.1107.5175.6-74.2-171.9156.900111.1A139E137-A139 PolarHBondContact O-N 3.29Å
138N55.8Low73.9Confident135 Ų13561 Ų6172%0.72232%0.322SS*.THydrogen-bonded Turntrans6533.5173.8-66.8-35.5000117.4V140 K206N138-V140 PolarHBondContact O-N 2.98Å; N138-K206 PolarHBondContact O-NZ 3.48Å
139A77Confident76.5Confident41 Ų4159.5 Ų59.534%0.33930%0.296SS..  trans-59.9127.6174.800000115.2F135 E137 K206F135-A139 HydrophobicContact CB-CB 4.28Å; F135-A139 WeakPolarHBondContact O-CB 3.22Å; E137-A139 PolarHBondContact O-N 3.29Å; A139-K206 PolarHBondContact O-NZ 3.16Å
140V89.5Confident78.7Confident28 Ų2858.2 Ų58.217%0.1729%0.289CS..  trans-45.3128.2165.4175.70000109V88 I91 L114 N138 L142V88-V140 HydrophobicContact CG1-CG1 4.47Å; V88-V140 HydrophobicContact CG1-CG2 4.15Å; V88-V140 HydrophobicContact CG2-CG1 4.17Å; I91-V140 HydrophobicContact CD1-CG1 4.15Å; I91-V140 HydrophobicContact CG1-CG1 3.92Å; L114-V140 HydrophobicContact CD2-CB 4.05Å; L114-V140 HydrophobicContact CD2-CG2 3.8Å; N138-V140 PolarHBondContact O-N 2.98Å; V140-L142 PolarHBondContact O-N 3.29Å
141P95Very high80.5Confident6 Ų662.6 Ų62.64%0.03931%0.31CS..  trans-59.1135.3-178.8-22.836.7000110.5N89 G90 I91 F199 K202 V203 K206N89-P141 WeakPolarHBondContact O-CD 3.33Å; G90-P141 WeakPolarHBondContact CA-O 3.41Å; I91-P141 PolarHBondContact N-O 3.19Å; P141-F199 HydrophobicContact CB-CD2 4.44Å; P141-F199 HydrophobicContact CB-CE2 4.09Å; P141-K202 HydrophobicContact CB-CD 4.23Å; P141-K202 HydrophobicContact CB-CG 4.24Å; P141-K202 HydrophobicContact CG-CG 4.14Å; P141-V203 HydrophobicContact CB-CG2 3.89Å; P141-V203 HydrophobicContact CG-CG2 3.98Å; P141-K206 HydrophobicContact CG-CD 4.05Å
142L95.3Very high82.3Confident19 Ų1959.9 Ų59.910%0.09930%0.296CS..EExtended strand (participates in β ladder)trans-113.1143-179.7-58.6-175.5000110.5I91 V140 F171 A173I91-L142 HydrophobicContact CB-CD2 3.61Å; I91-L142 HydrophobicContact CD1-CD2 4.04Å; I91-L142 HydrophobicContact CG1-CD2 4.23Å; I91-L142 HydrophobicContact CG2-CD2 4.27Å; I91-L142 CarbonylContact O-C 3.59Å; I91-L142 WeakPolarHBondContact O-CA 3.31Å; V140-L142 PolarHBondContact O-N 3.29Å; L142-F171 HydrophobicContact CD1-CB 4.08Å; L142-F171 HydrophobicContact CD1-CD1 4.1Å; L142-F171 HydrophobicContact CD1-CG 4.46Å; L142-A173 HydrophobicContact CB-CB 3.81Å
143L98.1Very high84.1Confident0 Ų056 Ų560%029%0.29CS..EExtended strand (participates in β ladder)trans-127.8129.4168.1179.268.1000108.7I91 I92 L93 I145 E174 I176 L196 F199I91-L143 PolarHBondContact O-N 3.36Å; I92-L143 CarbonylContact C-O 3.6Å; I92-L143 WeakPolarHBondContact CA-O 3.36Å; I92-L143 HydrophobicContact CD1-CD2 4.37Å; I92-L143 HydrophobicContact CG1-CB 4.27Å; I92-L143 HydrophobicContact CG1-CD2 4.25Å; L93-L143 PolarHBondContact N-O 2.89Å; L143-I145 HydrophobicContact CD2-CD1 3.82Å; L143-I145 HydrophobicContact CD2-CG1 4.16Å; L143-I145 HydrophobicContact CG-CD1 4.3Å; L143-I145 HydrophobicContact CG-CG1 4.08Å; L143-E174 HydrophobicContact CD1-CB 4.03Å; L143-E174 WeakPolarHBondContact CD1-O 3.13Å; L143-I176 HydrophobicContact CD1-CD1 4.25Å; L143-I176 HydrophobicContact CD1-CG1 4.35Å; L143-I176 HydrophobicContact CD2-CD1 4.48Å; L143-L196 HydrophobicContact CD2-CD1 3.81Å; L143-F199 HydrophobicContact CB-CD1 4.18Å; L143-F199 HydrophobicContact CB-CD2 3.61Å; L143-F199 HydrophobicContact CB-CE1 4.26Å; L143-F199 HydrophobicContact CB-CE2 3.69Å; L143-F199 HydrophobicContact CB-CG 3.85Å; L143-F199 HydrophobicContact CB-CZ 4.02Å; L143-F199 HydrophobicContact CD1-CB 4.47Å; L143-F199 HydrophobicContact CD2-CB 4.3Å; L143-F199 HydrophobicContact CD2-CD1 3.9Å; L143-F199 HydrophobicContact CD2-CE1 4.39Å; L143-F199 HydrophobicContact CD2-CG 4.02Å; L143-F199 HydrophobicContact CG-CG 4.39Å
144L98.3Very high85.9Confident0 Ų055.6 Ų55.60%029%0.288CS..EExtended strand (participates in β ladder)trans-96.9126.5175.8-174.766.9000109.7L93 L106 L167 E174 E175 I176L93-L144 HydrophobicContact CB-CD1 4.13Å; L106-L144 HydrophobicContact CD1-CD1 3.34Å; L144-L167 HydrophobicContact CD1-CD2 4.28Å; L144-L167 HydrophobicContact CD2-CB 4.14Å; L144-L167 HydrophobicContact CD2-CD2 4.07Å; L144-L167 HydrophobicContact CD2-CG 3.98Å; L144-E174 PolarHBondContact N-O 2.7Å; L144-E175 HydrophobicContact CD2-CG 4.22Å; L144-E175 HydrophobicContact CG-CG 4.49Å; L144-E175 WeakPolarHBondContact O-CA 3.42Å; L144-I176 PolarHBondContact O-N 3.21Å
145I98.7Very high87.8Confident0 Ų056.9 Ų56.90%030%0.298CS..EExtended strand (participates in β ladder)trans-122.6116.7176.8-61.7-171.3000110.8L22 I92 L93 V94 H95 L143 T147 I176 L178L22-I145 HydrophobicContact CD1-CD1 4.08Å; L22-I145 HydrophobicContact CD1-CG2 4.07Å; L22-I145 HydrophobicContact CD2-CB 4.17Å; L22-I145 HydrophobicContact CD2-CD1 3.85Å; L22-I145 HydrophobicContact CD2-CG2 3.83Å; L22-I145 HydrophobicContact CG-CD1 4.46Å; I92-I145 HydrophobicContact CG2-CB 4.4Å; I92-I145 HydrophobicContact CG2-CD1 3.7Å; I92-I145 HydrophobicContact CG2-CG1 3.92Å; L93-I145 PolarHBondContact O-N 3.37Å; V94-I145 WeakPolarHBondContact CA-O 3.41Å; H95-I145 PolarHBondContact N-O 3.44Å; L143-I145 HydrophobicContact CD2-CD1 3.82Å; L143-I145 HydrophobicContact CD2-CG1 4.16Å; L143-I145 HydrophobicContact CG-CD1 4.3Å; L143-I145 HydrophobicContact CG-CG1 4.08Å; I145-T147 HydrophobicContact CG2-CG2 4.22Å; I145-I176 CarbonylContact C-O 3.42Å; I145-I176 VanDerWaalsContact CA-O 3.29Å; I145-I176 WeakPolarHBondContact CA-O 3.22Å; I145-I176 HydrophobicContact CG1-CB 4.42Å; I145-L178 HydrophobicContact CG2-CD2 4.05Å; I145-L178 HydrophobicContact CG2-CG 4.22Å
146G98.5Very high89.8Confident0 Ų060.8 Ų60.80%032%0.316CS..EExtended strand (participates in β ladder)trans-93.1120.1169.200000110.7I176 N177 L178G146-I176 PolarHBondContact N-O 3.07Å; G146-N177 WeakPolarHBondContact CA-OD1 3.46Å; G146-N177 CarbonylContact O-C 3.56Å; G146-N177 WeakPolarHBondContact O-CA 3.3Å; G146-L178 PolarHBondContact O-N 2.99Å
147T98.6Very high91.7Very high1 Ų159.2 Ų59.21%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-99.8169.9-179.864.40000112V17 V94 H95 L97 I145 F149 L178V17-T147 WeakPolarHBondContact O-CB 3.36Å; V17-T147 WeakPolarHBondContact O-CG2 3.41Å; V17-T147 PolarHBondContact O-OG1 3.04Å; V94-T147 HydrophobicContact CG1-CG2 3.61Å; H95-T147 PolarHBondContact O-N 3.34Å; H95-T147 PolarHBondContact O-OG1 3Å; L97-T147 VanDerWaalsContact CB-O 3.27Å; L97-T147 WeakPolarHBondContact CB-O 3.36Å; L97-T147 WeakPolarHBondContact CD1-O 3.4Å; L97-T147 VanDerWaalsContact CG-O 3.28Å; L97-T147 WeakPolarHBondContact CG-O 3.47Å; L97-T147 PolarHBondContact N-O 3.38Å; I145-T147 HydrophobicContact CG2-CG2 4.22Å; T147-F149 VanDerWaalsContact C-N 3.27Å; T147-F149 PolarHBondContact O-N 2.72Å; T147-L178 CarbonylContact C-O 3.47Å; T147-L178 WeakPolarHBondContact CA-O 3.27Å
148K97.9Very high93.9Very high55 Ų5554.8 Ų54.824%0.23929%0.287CS..  trans61.234.6178.5-49.3-172.3-165.6167.80112.7G16 D96 T98 D150 Q151 L178G16-K148 PolarHBondContact O-NZ 3.14Å; D96-K148 WeakPolarHBondContact OD2-CD 3.43Å; D96-K148 VanDerWaalsContact OD2-CE 3.27Å; D96-K148 WeakPolarHBondContact OD2-CE 3.32Å; D96-K148 IonicContact OD2-NZ 2.84Å; D96-K148 PolarHBondContact OD2-NZ 2.72Å; T98-K148 HydrophobicContact CG2-CB 4.24Å; K148-D150 VanDerWaalsContact CA-OD1 3.28Å; K148-D150 WeakPolarHBondContact CA-OD1 3.36Å; K148-D150 PolarHBondContact O-N 3.47Å; K148-Q151 HydrophobicContact CB-CB 4.39Å; K148-Q151 HydrophobicContact CB-CG 4.13Å; K148-Q151 WeakPolarHBondContact O-CB 3.39Å; K148-Q151 PolarHBondContact O-N 2.83Å; K148-L178 PolarHBondContact N-O 3.47Å; K148-L178 VanDerWaalsContact N-O 3.13Å
149F97.9Very high95.8Very high37 Ų3754.8 Ų54.816%0.16228%0.282CS..G310 helixtrans-61.7-31.4179.6-176-109.1000112.5L97 T147 Q151 I152 L161 N177 L178L97-F149 HydrophobicContact CD1-CB 3.75Å; L97-F149 HydrophobicContact CD1-CD2 3.82Å; L97-F149 HydrophobicContact CD1-CG 4.28Å; T147-F149 VanDerWaalsContact C-N 3.27Å; T147-F149 PolarHBondContact O-N 2.72Å; F149-Q151 PolarHBondContact O-N 2.92Å; F149-I152 HydrophobicContact CD2-CG1 4.48Å; F149-I152 PolarHBondContact O-N 2.96Å; F149-I152 VanDerWaalsContact O-N 3.14Å; F149-L161 HydrophobicContact CE2-CD1 4.5Å; F149-L161 HydrophobicContact CE2-CD2 3.96Å; F149-L161 HydrophobicContact CE2-CG 4.4Å; F149-N177 HydrophobicContact CD2-CB 4.09Å; F149-N177 HydrophobicContact CG-CB 4.44Å; F149-L178 WeakPolarHBondContact CB-O 3.28Å; F149-L178 PolarHBondContact N-O 3.01Å; F149-L178 VanDerWaalsContact N-O 3.12Å
150D97.1Very high96.8Very high72 Ų7253.6 Ų53.639%0.38527%0.271SS..G310 helixtrans-55.7-31.1172.160.1-61.9000112.8K148 I152 D179K148-D150 VanDerWaalsContact CA-OD1 3.28Å; K148-D150 WeakPolarHBondContact CA-OD1 3.36Å; K148-D150 PolarHBondContact O-N 3.47Å; D150-I152 VanDerWaalsContact C-N 3.32Å; D150-I152 PolarHBondContact O-N 3.48Å; D150-D179 HydrophobicContact CB-CB 3.98Å
151Q97.9Very high97Very high110 Ų11055.4 Ų55.451%0.51428%0.279SS..G310 helixtrans-85.2-3.4-177.6-53.4-172.511.300113.2T98 K148 F149 P153T98-Q151 HydrophobicContact CG2-CB 3.66Å; K148-Q151 HydrophobicContact CB-CB 4.39Å; K148-Q151 HydrophobicContact CB-CG 4.13Å; K148-Q151 WeakPolarHBondContact O-CB 3.39Å; K148-Q151 PolarHBondContact O-N 2.83Å; F149-Q151 PolarHBondContact O-N 2.92Å; Q151-P153 VanDerWaalsContact O-CD 3.3Å; Q151-P153 WeakPolarHBondContact O-CD 3.49Å
152I97.8Very high97.1Very high7 Ų758.7 Ų58.74%0.03630%0.299CS..SBendtrans-83.8116.6179.9-52.5-60.8000110.1L97 T98 F149 D150 R157 V160L97-I152 VanDerWaalsContact C-CD1 3.48Å; L97-I152 HydrophobicContact CB-CD1 3.6Å; L97-I152 HydrophobicContact CB-CG1 3.9Å; L97-I152 WeakPolarHBondContact O-CD1 3.35Å; T98-I152 HydrophobicContact CG2-CD1 3.83Å; F149-I152 HydrophobicContact CD2-CG1 4.48Å; F149-I152 PolarHBondContact O-N 2.96Å; F149-I152 VanDerWaalsContact O-N 3.14Å; D150-I152 VanDerWaalsContact C-N 3.32Å; D150-I152 PolarHBondContact O-N 3.48Å; I152-R157 HydrophobicContact CB-CG 4.18Å; I152-R157 HydrophobicContact CG2-CB 4.41Å; I152-R157 HydrophobicContact CG2-CG 3.69Å; I152-R157 PolarHBondContact O-NE 3.42Å; I152-R157 VanDerWaalsContact O-NE 3.13Å; I152-V160 HydrophobicContact CG2-CB 4.34Å; I152-V160 HydrophobicContact CG2-CG2 4.04Å
153P96.8Very high97.1Very high67 Ų6760.3 Ų60.344%0.43530%0.304SS..  trans-59.1140.4176.6-24.636.4000111.4Q151 N155 K156 R157Q151-P153 VanDerWaalsContact O-CD 3.3Å; Q151-P153 WeakPolarHBondContact O-CD 3.49Å; P153-N155 VanDerWaalsContact C-N 3.26Å; P153-N155 WeakPolarHBondContact CB-OD1 3.42Å; P153-N155 PolarHBondContact O-N 3.36Å; P153-K156 PolarHBondContact O-N 3.46Å; P153-R157 PolarHBondContact O-N 3.09Å; P153-R157 VanDerWaalsContact O-N 3.15Å
154E95.8Very high96.9Very high152 Ų15260.3 Ų60.371%0.7130%0.304SS*.Hα-helixtrans-54.8-40.8-174.1-63.4-165.415000113.2K156 R157E154-K156 PolarHBondContact O-N 2.94Å; E154-R157 PolarHBondContact O-N 3.26Å; E154-R157 IonicContact OE1-NH1 2.62Å
155N97.1Very high96.7Very high139 Ų13962 Ų6274%0.74332%0.318SS*.Hα-helixtrans-65.2-17.9178.166.4-28.4000114.2P153P153-N155 VanDerWaalsContact C-N 3.26Å; P153-N155 WeakPolarHBondContact CB-OD1 3.42Å; P153-N155 PolarHBondContact O-N 3.36Å
156K96.6Very high96.5Very high113 Ų11367.9 Ų67.949%0.49134%0.344SS..Hα-helixtrans-105-10.4177.9-67.4-174.4176.9-178.10113.4P153 E154 S158 E159 V160P153-K156 PolarHBondContact O-N 3.46Å; E154-K156 PolarHBondContact O-N 2.94Å; K156-S158 PolarHBondContact O-N 3.36Å; K156-E159 PolarHBondContact O-N 3.33Å; K156-V160 WeakPolarHBondContact O-CG2 3.36Å; K156-V160 PolarHBondContact O-N 3.16Å
157R95.8Very high96.1Very high79 Ų7968.3 Ų68.330%0.29835%0.346SS..Hα-helixtrans-57-45.8-174.7-75.9-178.2-1751670.3112.5I152 P153 E154 E159 V160 L161I152-R157 HydrophobicContact CB-CG 4.18Å; I152-R157 HydrophobicContact CG2-CB 4.41Å; I152-R157 HydrophobicContact CG2-CG 3.69Å; I152-R157 PolarHBondContact O-NE 3.42Å; I152-R157 VanDerWaalsContact O-NE 3.13Å; P153-R157 PolarHBondContact O-N 3.09Å; P153-R157 VanDerWaalsContact O-N 3.15Å; E154-R157 PolarHBondContact O-N 3.26Å; E154-R157 IonicContact OE1-NH1 2.62Å; R157-E159 PolarHBondContact O-N 3.03Å; R157-V160 PolarHBondContact O-N 3.33Å; R157-L161 WeakPolarHBondContact O-CB 3.36Å; R157-L161 VanDerWaalsContact O-CG 3.24Å; R157-L161 WeakPolarHBondContact O-CG 3.49Å; R157-L161 PolarHBondContact O-N 2.93Å
158S96.6Very high95.9Very high90 Ų9069.1 Ų69.163%0.62935%0.352SS*.Hα-helixtrans-60.2-45180-168.50000112.1K156 L161 T162K156-S158 PolarHBondContact O-N 3.36Å; S158-L161 PolarHBondContact O-N 2.58Å; S158-T162 WeakPolarHBondContact O-CB 3.37Å; S158-T162 PolarHBondContact O-N 3.36Å; S158-T162 PolarHBondContact O-OG1 3.45Å
159E96.3Very high95.5Very high135 Ų13572.2 Ų72.263%0.63137%0.367SS*.Hα-helixtrans-62.2-45.2178.6-174.9-162.7148.800111.3K156 R157 R163K156-E159 PolarHBondContact O-N 3.33Å; R157-E159 PolarHBondContact O-N 3.03Å; E159-R163 WeakPolarHBondContact O-CB 3.36Å; E159-R163 PolarHBondContact O-N 3Å
160V96.6Very high95.1Very high16 Ų1671.5 Ų71.510%0.09737%0.365CS..Hα-helixtrans-63.3-46.8179.2173.50000110.8L97 I152 K156 R157 R163 T164L97-V160 HydrophobicContact CB-CG1 4.3Å; L97-V160 HydrophobicContact CD2-CG1 3.79Å; I152-V160 HydrophobicContact CG2-CB 4.34Å; I152-V160 HydrophobicContact CG2-CG2 4.04Å; K156-V160 WeakPolarHBondContact O-CG2 3.36Å; K156-V160 PolarHBondContact O-N 3.16Å; R157-V160 PolarHBondContact O-N 3.33Å; V160-R163 WeakPolarHBondContact O-CB 3.29Å; V160-R163 PolarHBondContact O-N 3.4Å; V160-T164 HydrophobicContact CG1-CG2 4.48Å; V160-T164 WeakPolarHBondContact O-CG2 3.49Å; V160-T164 PolarHBondContact O-N 3.42Å; V160-T164 PolarHBondContact O-OG1 2.85Å
161L95.5Very high94.6Very high66 Ų6668.4 Ų68.435%0.34635%0.348SS..Hα-helixtrans-65.6-39.8-179.9-69.4175.3000112.6F149 R157 S158 R163 T164 A165 N177F149-L161 HydrophobicContact CE2-CD1 4.5Å; F149-L161 HydrophobicContact CE2-CD2 3.96Å; F149-L161 HydrophobicContact CE2-CG 4.4Å; R157-L161 WeakPolarHBondContact O-CB 3.36Å; R157-L161 VanDerWaalsContact O-CG 3.24Å; R157-L161 WeakPolarHBondContact O-CG 3.49Å; R157-L161 PolarHBondContact O-N 2.93Å; S158-L161 PolarHBondContact O-N 2.58Å; L161-R163 VanDerWaalsContact C-N 3.3Å; L161-R163 PolarHBondContact O-N 3.37Å; L161-T164 PolarHBondContact O-N 3.2Å; L161-T164 PolarHBondContact O-OG1 3.39Å; L161-A165 WeakPolarHBondContact O-CB 3.37Å; L161-A165 PolarHBondContact O-N 2.76Å; L161-N177 WeakPolarHBondContact CD2-ND2 3.4Å
162T96.9Very high94.2Very high75 Ų7570 Ų7046%0.4636%0.36SS..Hα-helixtrans-61.1-42.5173.7-64.20000111S158 A165 F166S158-T162 WeakPolarHBondContact O-CB 3.37Å; S158-T162 PolarHBondContact O-N 3.36Å; S158-T162 PolarHBondContact O-OG1 3.45Å; T162-A165 PolarHBondContact O-N 2.77Å; T162-F166 HydrophobicContact CG2-CD2 4.21Å; T162-F166 HydrophobicContact CG2-CE2 3.6Å; T162-F166 HydrophobicContact CG2-CZ 4.4Å; T162-F166 WeakPolarHBondContact O-CD2 3.46Å; T162-F166 PolarHBondContact O-N 2.64Å
163R94.1Very high94Very high52 Ų5270.3 Ų70.320%0.19636%0.364CS..Hα-helixtrans-65.5-39.5179-179.1-178.16380.8-3.6112.6S103 E159 V160 L161 L167S103-R163 PolarHBondContact OG-NH1 3.36Å; E159-R163 WeakPolarHBondContact O-CB 3.36Å; E159-R163 PolarHBondContact O-N 3Å; V160-R163 WeakPolarHBondContact O-CB 3.29Å; V160-R163 PolarHBondContact O-N 3.4Å; L161-R163 VanDerWaalsContact C-N 3.3Å; L161-R163 PolarHBondContact O-N 3.37Å; R163-L167 PolarHBondContact O-N 2.95Å
164T94.1Very high93.9Very high0 Ų070.8 Ų70.80%036%0.36CS..Hα-helixtrans-78.2-27.3-179580000112.5L97 V160 L161 L167 S168 E175L97-T164 HydrophobicContact CD2-CG2 3.71Å; V160-T164 HydrophobicContact CG1-CG2 4.48Å; V160-T164 WeakPolarHBondContact O-CG2 3.49Å; V160-T164 PolarHBondContact O-N 3.42Å; V160-T164 PolarHBondContact O-OG1 2.85Å; L161-T164 PolarHBondContact O-N 3.2Å; L161-T164 PolarHBondContact O-OG1 3.39Å; T164-L167 WeakPolarHBondContact O-CB 3.33Å; T164-L167 PolarHBondContact O-N 3.24Å; T164-S168 PolarHBondContact O-N 3.06Å; T164-E175 WeakPolarHBondContact CB-OE1 3.27Å; T164-E175 PolarHBondContact OG1-OE1 2.62Å
165A94.9Very high94Very high36 Ų3664.9 Ų64.930%0.29833%0.333SS..Hα-helixtrans-58.2-49.4168.600000111.6L161 T162 L167 S168 E169L161-A165 WeakPolarHBondContact O-CB 3.37Å; L161-A165 PolarHBondContact O-N 2.76Å; T162-A165 PolarHBondContact O-N 2.77Å; A165-L167 VanDerWaalsContact C-N 3.25Å; A165-L167 PolarHBondContact O-N 3.04Å; A165-S168 WeakPolarHBondContact O-CB 3.36Å; A165-S168 PolarHBondContact O-N 2.68Å; A165-S168 VanDerWaalsContact O-N 3.08Å; A165-S168 PolarHBondContact O-OG 3.13Å; A165-E169 PolarHBondContact O-N 3.07Å
166F93Very high94Very high123 Ų12358.3 Ų58.354%0.53930%0.298SS..Hα-helixtrans-59.3-37174.9-69.7-57.4000112.9T162 S168 E169 D170T162-F166 HydrophobicContact CG2-CD2 4.21Å; T162-F166 HydrophobicContact CG2-CE2 3.6Å; T162-F166 HydrophobicContact CG2-CZ 4.4Å; T162-F166 WeakPolarHBondContact O-CD2 3.46Å; T162-F166 PolarHBondContact O-N 2.64Å; F166-S168 VanDerWaalsContact C-N 3.35Å; F166-E169 PolarHBondContact O-N 3.23Å; F166-D170 PolarHBondContact O-N 3.22Å
167L91.8Very high94.1Very high10 Ų1054.2 Ų54.25%0.05228%0.281CS..Hα-helixtrans-65.7-39.1176.3-171.962.6000111.8L106 Y107 L144 R163 T164 A165 E169 D170 F171L106-L167 HydrophobicContact CD1-CD2 4.08Å; Y107-L167 HydrophobicContact CE1-CD1 4.33Å; Y107-L167 HydrophobicContact CE2-CD1 3.88Å; Y107-L167 WeakPolarHBondContact OH-CD1 3.38Å; L144-L167 HydrophobicContact CD1-CD2 4.28Å; L144-L167 HydrophobicContact CD2-CB 4.14Å; L144-L167 HydrophobicContact CD2-CD2 4.07Å; L144-L167 HydrophobicContact CD2-CG 3.98Å; R163-L167 PolarHBondContact O-N 2.95Å; T164-L167 WeakPolarHBondContact O-CB 3.33Å; T164-L167 PolarHBondContact O-N 3.24Å; A165-L167 VanDerWaalsContact C-N 3.25Å; A165-L167 PolarHBondContact O-N 3.04Å; L167-E169 VanDerWaalsContact C-N 3.34Å; L167-D170 PolarHBondContact O-N 3.36Å; L167-F171 HydrophobicContact CD1-CD2 4.12Å; L167-F171 HydrophobicContact CD1-CE2 3.53Å; L167-F171 HydrophobicContact CD1-CZ 4.43Å; L167-F171 HydrophobicContact CG-CD2 4.12Å; L167-F171 HydrophobicContact CG-CE2 3.87Å; L167-F171 WeakPolarHBondContact O-CD2 3.34Å; L167-F171 PolarHBondContact O-N 2.99Å
168S92.4Very high94.2Very high18 Ų1850.4 Ų50.413%0.12627%0.267CS..Hα-helixtrans-65.8-37.8176.479.50000111.9T164 A165 F166 F171 N172 A173T164-S168 PolarHBondContact O-N 3.06Å; A165-S168 WeakPolarHBondContact O-CB 3.36Å; A165-S168 PolarHBondContact O-N 2.68Å; A165-S168 VanDerWaalsContact O-N 3.08Å; A165-S168 PolarHBondContact O-OG 3.13Å; F166-S168 VanDerWaalsContact C-N 3.35Å; S168-F171 PolarHBondContact O-N 2.79Å; S168-N172 PolarHBondContact O-N 3.21Å; S168-A173 PolarHBondContact O-N 3.23Å
169E91Very high94.3Very high120 Ų12047 Ų4756%0.56124%0.241SC*.Hα-helixtrans-64.9-42.9174.2-70.3177.2178.500111.5A165 F166 L167 F171 N172A165-E169 PolarHBondContact O-N 3.07Å; F166-E169 PolarHBondContact O-N 3.23Å; L167-E169 VanDerWaalsContact C-N 3.34Å; E169-F171 VanDerWaalsContact C-N 3.28Å; E169-F171 PolarHBondContact O-N 3.25Å; E169-N172 PolarHBondContact O-N 3.2Å
170D88.1Confident94.3Very high21 Ų2141.1 Ų41.111%0.11222%0.215CC..Hα-helixtrans-57.6-42.3175.8-77.5-21.1000111.9Y107 Y130 R132 F166 L167 N172Y107-D170 HydrophobicContact CE1-CB 4.08Å; Y107-D170 PolarHBondContact OH-OD2 3.2Å; Y130-D170 VanDerWaalsContact CE1-O 3.22Å; Y130-D170 WeakPolarHBondContact CE1-O 3.35Å; R132-D170 IonicContact CZ-OD1 3.61Å; R132-D170 VanDerWaalsContact CZ-OD1 3.32Å; R132-D170 IonicContact NE-OD1 2.7Å; R132-D170 PolarHBondContact NE-OD1 3.43Å; R132-D170 IonicContact NH2-OD1 3.32Å; R132-D170 PolarHBondContact NH2-OD1 3.14Å; F166-D170 PolarHBondContact O-N 3.22Å; L167-D170 PolarHBondContact O-N 3.36Å; D170-N172 VanDerWaalsContact C-N 3.31Å
171F87.9Confident94.2Very high7 Ų744.6 Ų44.63%0.03124%0.236CC..THydrogen-bonded Turntrans-82.3-5.2177.4-70.1-61.7000114.1L93 L106 Y107 S110 Y130 L142 L167 S168 E169 A173L93-F171 HydrophobicContact CD1-CD1 3.86Å; L93-F171 HydrophobicContact CD1-CD2 4.09Å; L93-F171 HydrophobicContact CD1-CE1 3.89Å; L93-F171 HydrophobicContact CD1-CE2 4.07Å; L93-F171 HydrophobicContact CD1-CG 4Å; L93-F171 HydrophobicContact CD1-CZ 4Å; L106-F171 HydrophobicContact CB-CE2 3.96Å; L106-F171 HydrophobicContact CB-CZ 3.85Å; L106-F171 HydrophobicContact CD1-CE2 4.42Å; Y107-F171 AromaticContact CD1-CE1 3.9Å; Y107-F171 HydrophobicContact CD1-CE1 3.9Å; Y107-F171 HydrophobicContact CD1-CE2 4.42Å; Y107-F171 AromaticContact CD1-CZ 3.58Å; Y107-F171 HydrophobicContact CD1-CZ 3.58Å; Y107-F171 HydrophobicContact CE1-CE1 4.36Å; Y107-F171 HydrophobicContact CE1-CE2 4.34Å; Y107-F171 AromaticContact CE1-CZ 3.92Å; Y107-F171 HydrophobicContact CE1-CZ 3.92Å; Y107-F171 HydrophobicContact CG-CZ 4.03Å; S110-F171 WeakPolarHBondContact OG-CE1 3.44Å; Y130-F171 HydrophobicContact CE2-CD1 4.36Å; Y130-F171 AromaticContact CE2-CE1 3.91Å; Y130-F171 HydrophobicContact CE2-CE1 3.91Å; Y130-F171 AromaticContact CZ-CD1 3.89Å; Y130-F171 AromaticContact CZ-CE1 3.9Å; Y130-F171 VanDerWaalsContact OH-CD1 3.26Å; Y130-F171 WeakPolarHBondContact OH-CD1 3.17Å; L142-F171 HydrophobicContact CD1-CB 4.08Å; L142-F171 HydrophobicContact CD1-CD1 4.1Å; L142-F171 HydrophobicContact CD1-CG 4.46Å; L167-F171 HydrophobicContact CD1-CD2 4.12Å; L167-F171 HydrophobicContact CD1-CE2 3.53Å; L167-F171 HydrophobicContact CD1-CZ 4.43Å; L167-F171 HydrophobicContact CG-CD2 4.12Å; L167-F171 HydrophobicContact CG-CE2 3.87Å; L167-F171 WeakPolarHBondContact O-CD2 3.34Å; L167-F171 PolarHBondContact O-N 2.99Å; S168-F171 PolarHBondContact O-N 2.79Å; E169-F171 VanDerWaalsContact C-N 3.28Å; E169-F171 PolarHBondContact O-N 3.25Å; F171-A173 HydrophobicContact CB-CB 3.84Å; F171-A173 PolarHBondContact O-N 3.1Å
172N90.1Very high94.2Very high144 Ų14443.9 Ų43.977%0.7723%0.233SC*.THydrogen-bonded Turntrans4746.5-168.2-171.629.5000111.7S168 E169 D170S168-N172 PolarHBondContact O-N 3.21Å; E169-N172 PolarHBondContact O-N 3.2Å; D170-N172 VanDerWaalsContact C-N 3.31Å
173A92.3Very high94Very high14 Ų1442.6 Ų42.612%0.11623%0.226CC..  trans-121.2149.1-171.100000111.1L142 S168 F171L142-A173 HydrophobicContact CB-CB 3.81Å; S168-A173 PolarHBondContact O-N 3.23Å; F171-A173 HydrophobicContact CB-CB 3.84Å; F171-A173 PolarHBondContact O-N 3.1Å
174E95.3Very high94.1Very high76 Ų7649.4 Ų49.436%0.35525%0.252SS..EExtended strand (participates in β ladder)trans-69.8150.3165.5-71-163.8-126.400110.5L143 L144 K195L143-E174 HydrophobicContact CD1-CB 4.03Å; L143-E174 WeakPolarHBondContact CD1-O 3.13Å; L144-E174 PolarHBondContact N-O 2.7Å; E174-K195 WeakPolarHBondContact OE2-CG 3.49Å
175E97.1Very high94.2Very high29 Ų2952 Ų5214%0.13626%0.262CS..EExtended strand (participates in β ladder)trans-117.2136.9-179.4-172.2-170.1176.600111.9L144 T164 N177 K195L144-E175 HydrophobicContact CD2-CG 4.22Å; L144-E175 HydrophobicContact CG-CG 4.49Å; L144-E175 WeakPolarHBondContact O-CA 3.42Å; T164-E175 WeakPolarHBondContact CB-OE1 3.27Å; T164-E175 PolarHBondContact OG1-OE1 2.62Å; E175-N177 PolarHBondContact OE1-ND2 2.82Å; E175-N177 PolarHBondContact OE1-OD1 3.13Å; E175-K195 PolarHBondContact O-NZ 3.25Å
176I98.5Very high94.3Very high1 Ų151.1 Ų51.11%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-129.2120.8168.5-56.9177.3000109.5L143 L144 I145 G146 L178 F186 N192 K195 L196L143-I176 HydrophobicContact CD1-CD1 4.25Å; L143-I176 HydrophobicContact CD1-CG1 4.35Å; L143-I176 HydrophobicContact CD2-CD1 4.48Å; L144-I176 PolarHBondContact O-N 3.21Å; I145-I176 CarbonylContact C-O 3.42Å; I145-I176 VanDerWaalsContact CA-O 3.29Å; I145-I176 WeakPolarHBondContact CA-O 3.22Å; I145-I176 HydrophobicContact CG1-CB 4.42Å; G146-I176 PolarHBondContact N-O 3.07Å; I176-L178 HydrophobicContact CG2-CB 4.43Å; I176-L178 HydrophobicContact CG2-CD2 3.86Å; I176-F186 HydrophobicContact CD1-CE1 4.11Å; I176-F186 HydrophobicContact CG2-CE1 4.49Å; I176-N192 HydrophobicContact CG2-CB 4.05Å; I176-K195 HydrophobicContact CD1-CB 3.84Å; I176-K195 HydrophobicContact CG1-CB 4.13Å; I176-K195 HydrophobicContact CG1-CD 3.93Å; I176-L196 HydrophobicContact CD1-CB 4.35Å
177N98.3Very high94.3Very high26 Ų2647 Ų4714%0.13924%0.24CC..EExtended strand (participates in β ladder)trans-103.5126.3170.8-67.6-46.6000110.1L97 G146 F149 L161 E175L97-N177 HydrophobicContact CD1-CB 4.01Å; L97-N177 WeakPolarHBondContact CD2-OD1 3.32Å; G146-N177 WeakPolarHBondContact CA-OD1 3.46Å; G146-N177 CarbonylContact O-C 3.56Å; G146-N177 WeakPolarHBondContact O-CA 3.3Å; F149-N177 HydrophobicContact CD2-CB 4.09Å; F149-N177 HydrophobicContact CG-CB 4.44Å; L161-N177 WeakPolarHBondContact CD2-ND2 3.4Å; E175-N177 PolarHBondContact OE1-ND2 2.82Å; E175-N177 PolarHBondContact OE1-OD1 3.13Å
178L98.1Very high94.3Very high0 Ų051.4 Ų51.40%028%0.278CS..  trans-149.1166.8-171.367.282.4000114.8L22 I145 G146 T147 K148 F149 I176 C180 Y185 F186L22-L178 HydrophobicContact CD1-CD1 4.32Å; L22-L178 HydrophobicContact CD1-CD2 3.98Å; I145-L178 HydrophobicContact CG2-CD2 4.05Å; I145-L178 HydrophobicContact CG2-CG 4.22Å; G146-L178 PolarHBondContact O-N 2.99Å; T147-L178 CarbonylContact C-O 3.47Å; T147-L178 WeakPolarHBondContact CA-O 3.27Å; K148-L178 PolarHBondContact N-O 3.47Å; K148-L178 VanDerWaalsContact N-O 3.13Å; F149-L178 WeakPolarHBondContact CB-O 3.28Å; F149-L178 PolarHBondContact N-O 3.01Å; F149-L178 VanDerWaalsContact N-O 3.12Å; I176-L178 HydrophobicContact CG2-CB 4.43Å; I176-L178 HydrophobicContact CG2-CD2 3.86Å; L178-C180 HydrophobicContact CD1-CB 4.24Å; L178-C180 WeakPolarHBondContact CD1-SG 3.4Å; L178-Y185 HydrophobicContact CB-CD1 3.3Å; L178-Y185 HydrophobicContact CB-CE1 3.87Å; L178-Y185 HydrophobicContact CB-CG 3.72Å; L178-F186 HydrophobicContact CD2-CD2 4.45Å; L178-F186 HydrophobicContact CD2-CE1 4.2Å; L178-F186 HydrophobicContact CD2-CE2 3.46Å; L178-F186 VanDerWaalsContact CD2-CE2 3.46Å; L178-F186 HydrophobicContact CD2-CZ 3.3Å
179D97.4Very high94.2Very high18 Ų1854.2 Ų54.210%0.09631%0.31CS..  trans-105.6116.1164.4167.816.8000108.6D150 T181 N182 Y185D150-D179 HydrophobicContact CB-CB 3.98Å; D179-T181 VanDerWaalsContact CG-OG1 3.23Å; D179-T181 PolarHBondContact O-N 3.41Å; D179-T181 WeakPolarHBondContact OD1-CA 3.49Å; D179-T181 WeakPolarHBondContact OD1-CB 3.43Å; D179-T181 PolarHBondContact OD1-N 3.12Å; D179-T181 PolarHBondContact OD1-OG1 2.84Å; D179-T181 PolarHBondContact OD2-OG1 3.2Å; D179-T181 VanDerWaalsContact OD2-OG1 3.06Å; D179-N182 HydrophobicContact CB-CB 4.4Å; D179-N182 PolarHBondContact O-N 3.25Å; D179-N182 WeakPolarHBondContact OD2-CB 3.37Å; D179-Y185 HydrophobicContact CB-CD2 4.24Å; D179-Y185 HydrophobicContact CB-CE2 3.74Å
180C96.2Very high94.5Very high11 Ų1150.5 Ų50.57%0.07430%0.295CS..THydrogen-bonded Turntrans-68.9-12.6-179.4-64.70000112.8L178 N182L178-C180 HydrophobicContact CD1-CB 4.24Å; L178-C180 WeakPolarHBondContact CD1-SG 3.4Å; C180-N182 VanDerWaalsContact C-N 3.34Å
181T94.7Very high94.9Very high89 Ų8953.6 Ų53.655%0.54632%0.318SS..THydrogen-bonded Turntrans-91.51.4178.675.40000112.9V31 D179V31-T181 WeakPolarHBondContact CG2-O 3.03Å; D179-T181 VanDerWaalsContact CG-OG1 3.23Å; D179-T181 PolarHBondContact O-N 3.41Å; D179-T181 WeakPolarHBondContact OD1-CA 3.49Å; D179-T181 WeakPolarHBondContact OD1-CB 3.43Å; D179-T181 PolarHBondContact OD1-N 3.12Å; D179-T181 PolarHBondContact OD1-OG1 2.84Å; D179-T181 PolarHBondContact OD2-OG1 3.2Å; D179-T181 VanDerWaalsContact OD2-OG1 3.06Å
182N95.7Very high95.3Very high51 Ų5154.3 Ų54.327%0.27332%0.323SS..  trans-122.9106.6177.4-178.2-6.6000111D179 C180 R184 Y185D179-N182 HydrophobicContact CB-CB 4.4Å; D179-N182 PolarHBondContact O-N 3.25Å; D179-N182 WeakPolarHBondContact OD2-CB 3.37Å; C180-N182 VanDerWaalsContact C-N 3.34Å; N182-R184 PolarHBondContact O-N 3.25Å; N182-R184 VanDerWaalsContact O-N 3.07Å; N182-R184 VanDerWaalsContact OD1-CB 3.26Å; N182-R184 WeakPolarHBondContact OD1-CB 3.24Å; N182-R184 WeakPolarHBondContact OD1-CG 3.35Å; N182-R184 PolarHBondContact OD1-N 3.17Å; N182-R184 VanDerWaalsContact OD1-N 3.1Å; N182-Y185 HydrophobicContact CB-CD2 3.84Å; N182-Y185 HydrophobicContact CB-CE2 4.07Å; N182-Y185 PolarHBondContact O-N 2.7Å
183P94Very high95.6Very high49 Ų4948.4 Ų48.432%0.31829%0.294SS..G310 helixtrans-67.1-15.8-174.827.7-34000113.5L25 V31 Y185 F186 A187L25-P183 HydrophobicContact CD1-CB 3.99Å; V31-P183 HydrophobicContact CG2-CG 4.5Å; P183-Y185 PolarHBondContact O-N 3.04Å; P183-Y185 VanDerWaalsContact O-N 3.14Å; P183-F186 PolarHBondContact O-N 3.36Å; P183-A187 PolarHBondContact O-N 2.66Å
184R95.8Very high95.7Very high195 Ų19550.6 Ų50.674%0.73631%0.306SS*.G310 helixtrans-62.8-21.5177.6-61.5-179.6178.5171.50.8112.9N182 F186 A187N182-R184 PolarHBondContact O-N 3.25Å; N182-R184 VanDerWaalsContact O-N 3.07Å; N182-R184 VanDerWaalsContact OD1-CB 3.26Å; N182-R184 WeakPolarHBondContact OD1-CB 3.24Å; N182-R184 WeakPolarHBondContact OD1-CG 3.35Å; N182-R184 PolarHBondContact OD1-N 3.17Å; N182-R184 VanDerWaalsContact OD1-N 3.1Å; R184-F186 PolarHBondContact O-N 3.5Å; R184-A187 WeakPolarHBondContact O-CB 3.33Å; R184-A187 PolarHBondContact O-N 3.22Å
185Y95.9Very high95.9Very high54 Ų5450.2 Ų50.221%0.21230%0.303CS..G310 helixtrans-63.3-23177.6-85.5-92.2000113.8L178 D179 N182 P183 N192L178-Y185 HydrophobicContact CB-CD1 3.3Å; L178-Y185 HydrophobicContact CB-CE1 3.87Å; L178-Y185 HydrophobicContact CB-CG 3.72Å; D179-Y185 HydrophobicContact CB-CD2 4.24Å; D179-Y185 HydrophobicContact CB-CE2 3.74Å; N182-Y185 HydrophobicContact CB-CD2 3.84Å; N182-Y185 HydrophobicContact CB-CE2 4.07Å; N182-Y185 PolarHBondContact O-N 2.7Å; P183-Y185 PolarHBondContact O-N 3.04Å; P183-Y185 VanDerWaalsContact O-N 3.14Å; Y185-N192 WeakPolarHBondContact CD1-ND2 3.49Å; Y185-N192 WeakPolarHBondContact O-CB 3.38Å; Y185-N192 PolarHBondContact O-ND2 3.26Å
186F96Very high95.9Very high17 Ų1748.9 Ų48.98%0.07530%0.297CS..G310 helixtrans-121.419.7173.3-69.3-56.7000112.9L22 L25 I26 I176 L178 P183 R184 N192 L196L22-F186 HydrophobicContact CD1-CE2 3.91Å; L22-F186 HydrophobicContact CD1-CZ 4.27Å; L25-F186 HydrophobicContact CD2-CD2 3.69Å; L25-F186 HydrophobicContact CD2-CE2 4.04Å; L25-F186 HydrophobicContact CG-CD2 3.86Å; L25-F186 HydrophobicContact CG-CE2 4.44Å; I26-F186 HydrophobicContact CD1-CE2 4.4Å; I26-F186 HydrophobicContact CD1-CZ 4.48Å; I26-F186 HydrophobicContact CG1-CD2 4.23Å; I26-F186 HydrophobicContact CG1-CE2 3.75Å; I26-F186 HydrophobicContact CG1-CZ 4.18Å; I176-F186 HydrophobicContact CD1-CE1 4.11Å; I176-F186 HydrophobicContact CG2-CE1 4.49Å; L178-F186 HydrophobicContact CD2-CD2 4.45Å; L178-F186 HydrophobicContact CD2-CE1 4.2Å; L178-F186 HydrophobicContact CD2-CE2 3.46Å; L178-F186 VanDerWaalsContact CD2-CE2 3.46Å; L178-F186 HydrophobicContact CD2-CZ 3.3Å; P183-F186 PolarHBondContact O-N 3.36Å; R184-F186 PolarHBondContact O-N 3.5Å; F186-N192 HydrophobicContact CD1-CB 4.17Å; F186-N192 HydrophobicContact CE1-CB 4.24Å; F186-L196 HydrophobicContact CD1-CB 4.46Å; F186-L196 HydrophobicContact CD1-CD2 3.86Å; F186-L196 HydrophobicContact CE1-CB 4.12Å; F186-L196 HydrophobicContact CE1-CD2 3.74Å; F186-L196 HydrophobicContact CE1-CG 4.42Å; F186-L196 HydrophobicContact CG-CD2 4.41Å; F186-L196 HydrophobicContact CZ-CD2 4.18Å
187A94.2Very high95.8Very high36 Ų3650.3 Ų50.330%0.29831%0.307SS..  trans-58.4144.3171.700000110.6P183 R184 G189 T190 A193P183-A187 PolarHBondContact O-N 2.66Å; R184-A187 WeakPolarHBondContact O-CB 3.33Å; R184-A187 PolarHBondContact O-N 3.22Å; A187-G189 PolarHBondContact O-N 2.96Å; A187-T190 HydrophobicContact CB-CG2 4.04Å; A187-T190 WeakPolarHBondContact O-CB 3.32Å; A187-T190 VanDerWaalsContact O-CG2 3.24Å; A187-T190 WeakPolarHBondContact O-CG2 3.43Å; A187-T190 PolarHBondContact O-N 3.1Å; A187-T190 VanDerWaalsContact O-N 3.17Å; A187-T190 PolarHBondContact O-OG1 3.27Å; A187-A193 WeakPolarHBondContact O-CB 3.39Å
188A91.4Very high95.6Very high103 Ų10356.2 Ų56.285%0.85133%0.327SS*.THydrogen-bonded Turntrans-54.7140.3178.900000111.4T190A188-T190 VanDerWaalsContact C-N 3.26Å; A188-T190 PolarHBondContact O-N 3.06Å
189G90.6Very high95.6Very high78 Ų7856.5 Ų56.580%0.80433%0.329SS*.THydrogen-bonded Turntrans80.1-6.7-17800000115.5A187A187-G189 PolarHBondContact O-N 2.96Å
190T96.3Very high95.6Very high42 Ų4255.7 Ų55.726%0.25832%0.324SS..SBendtrans-73.3153.1172.363.70000111.5A187 A188 N192 A193 V194A187-T190 HydrophobicContact CB-CG2 4.04Å; A187-T190 WeakPolarHBondContact O-CB 3.32Å; A187-T190 VanDerWaalsContact O-CG2 3.24Å; A187-T190 WeakPolarHBondContact O-CG2 3.43Å; A187-T190 PolarHBondContact O-N 3.1Å; A187-T190 VanDerWaalsContact O-N 3.17Å; A187-T190 PolarHBondContact O-OG1 3.27Å; A188-T190 VanDerWaalsContact C-N 3.26Å; A188-T190 PolarHBondContact O-N 3.06Å; T190-N192 PolarHBondContact O-N 2.86Å; T190-A193 PolarHBondContact O-N 2.72Å; T190-A193 WeakPolarHBondContact OG1-CB 2.93Å; T190-A193 PolarHBondContact OG1-N 2.82Å; T190-V194 WeakPolarHBondContact O-CG2 3.47Å; T190-V194 PolarHBondContact O-N 2.7Å; T190-V194 VanDerWaalsContact O-N 3.09Å
191S96.4Very high95.5Very high85 Ų8556.5 Ų56.559%0.59433%0.328SS*.Hα-helixtrans-56.3-38.7176.152.80000112.3V194 K195S191-V194 PolarHBondContact O-N 2.57Å; S191-K195 VanDerWaalsContact O-CG 3.32Å; S191-K195 WeakPolarHBondContact O-CG 3.32Å; S191-K195 PolarHBondContact O-N 2.82Å
192N97.1Very high95.5Very high22 Ų2257.8 Ų57.812%0.11833%0.326CS..Hα-helixtrans-67.2-42.1178.4-69-12.5000112.8I176 Y185 F186 T190 V194 K195 L196I176-N192 HydrophobicContact CG2-CB 4.05Å; Y185-N192 WeakPolarHBondContact CD1-ND2 3.49Å; Y185-N192 WeakPolarHBondContact O-CB 3.38Å; Y185-N192 PolarHBondContact O-ND2 3.26Å; F186-N192 HydrophobicContact CD1-CB 4.17Å; F186-N192 HydrophobicContact CE1-CB 4.24Å; T190-N192 PolarHBondContact O-N 2.86Å; N192-V194 VanDerWaalsContact C-N 3.29Å; N192-V194 PolarHBondContact O-N 3.27Å; N192-K195 PolarHBondContact O-N 2.93Å; N192-L196 WeakPolarHBondContact O-CB 3.45Å; N192-L196 PolarHBondContact O-N 3.34Å
193A95.9Very high95.5Very high21 Ų2155.3 Ų55.317%0.17431%0.313CS..Hα-helixtrans-61.7-40.3174.600000111.2A187 T190 L196 S197A187-A193 WeakPolarHBondContact O-CB 3.39Å; T190-A193 PolarHBondContact O-N 2.72Å; T190-A193 WeakPolarHBondContact OG1-CB 2.93Å; T190-A193 PolarHBondContact OG1-N 2.82Å; A193-L196 PolarHBondContact O-N 3.02Å; A193-S197 WeakPolarHBondContact O-CB 3.39Å; A193-S197 PolarHBondContact O-N 2.9Å
194V95.9Very high95.6Very high60 Ų6053 Ų5336%0.36430%0.298SS..Hα-helixtrans-64.2-46.5175.9174.60000111.6T190 S191 N192 L196 S197 R198T190-V194 WeakPolarHBondContact O-CG2 3.47Å; T190-V194 PolarHBondContact O-N 2.7Å; T190-V194 VanDerWaalsContact O-N 3.09Å; S191-V194 PolarHBondContact O-N 2.57Å; N192-V194 VanDerWaalsContact C-N 3.29Å; N192-V194 PolarHBondContact O-N 3.27Å; V194-L196 VanDerWaalsContact C-N 3.34Å; V194-L196 PolarHBondContact O-N 3.38Å; V194-S197 PolarHBondContact O-N 3.29Å; V194-R198 WeakPolarHBondContact O-CG 3.35Å; V194-R198 PolarHBondContact O-N 3.04Å
195K97.5Very high95.5Very high67 Ų6747.5 Ų47.529%0.29128%0.28SS..Hα-helixtrans-59.8-44176-72-178.5168.1-176.90112E174 E175 I176 S191 N192 R198 F199E174-K195 WeakPolarHBondContact OE2-CG 3.49Å; E175-K195 PolarHBondContact O-NZ 3.25Å; I176-K195 HydrophobicContact CD1-CB 3.84Å; I176-K195 HydrophobicContact CG1-CB 4.13Å; I176-K195 HydrophobicContact CG1-CD 3.93Å; S191-K195 VanDerWaalsContact O-CG 3.32Å; S191-K195 WeakPolarHBondContact O-CG 3.32Å; S191-K195 PolarHBondContact O-N 2.82Å; N192-K195 PolarHBondContact O-N 2.93Å; K195-R198 PolarHBondContact O-N 3.25Å; K195-F199 PolarHBondContact O-N 3.32Å
196L97.5Very high95.2Very high2 Ų248.2 Ų48.21%0.0128%0.284CS..Hα-helixtrans-63.5-43.3178.2-177.465.2000111.5I26 L143 I176 F186 N192 A193 V194 F199 F200I26-L196 HydrophobicContact CD1-CD1 4.33Å; I26-L196 HydrophobicContact CD1-CD2 4.38Å; I26-L196 HydrophobicContact CG1-CD2 4Å; I26-L196 HydrophobicContact CG2-CD2 4.04Å; L143-L196 HydrophobicContact CD2-CD1 3.81Å; I176-L196 HydrophobicContact CD1-CB 4.35Å; F186-L196 HydrophobicContact CD1-CB 4.46Å; F186-L196 HydrophobicContact CD1-CD2 3.86Å; F186-L196 HydrophobicContact CE1-CB 4.12Å; F186-L196 HydrophobicContact CE1-CD2 3.74Å; F186-L196 HydrophobicContact CE1-CG 4.42Å; F186-L196 HydrophobicContact CG-CD2 4.41Å; F186-L196 HydrophobicContact CZ-CD2 4.18Å; N192-L196 WeakPolarHBondContact O-CB 3.45Å; N192-L196 PolarHBondContact O-N 3.34Å; A193-L196 PolarHBondContact O-N 3.02Å; V194-L196 VanDerWaalsContact C-N 3.34Å; V194-L196 PolarHBondContact O-N 3.38Å; L196-F199 WeakPolarHBondContact O-CB 3.28Å; L196-F199 PolarHBondContact O-N 3.08Å; L196-F200 HydrophobicContact CD1-CD2 4.32Å; L196-F200 HydrophobicContact CD1-CE1 4.41Å; L196-F200 HydrophobicContact CD1-CE2 3.59Å; L196-F200 HydrophobicContact CD1-CZ 3.64Å; L196-F200 HydrophobicContact CD2-CE2 3.98Å; L196-F200 HydrophobicContact CG-CD2 4.08Å; L196-F200 HydrophobicContact CG-CE2 3.51Å; L196-F200 HydrophobicContact CG-CZ 4.1Å; L196-F200 WeakPolarHBondContact O-CD2 3.26Å; L196-F200 PolarHBondContact O-N 3.01Å; L196-F200 VanDerWaalsContact O-N 3.08Å
197S96Very high95Very high31 Ų3153.4 Ų53.422%0.21730%0.304CS..Hα-helixtrans-61-48175.3-163.10000111.4Q48 A193 V194 F199 F200 D201Q48-S197 PolarHBondContact NE2-OG 2.67Å; A193-S197 WeakPolarHBondContact O-CB 3.39Å; A193-S197 PolarHBondContact O-N 2.9Å; V194-S197 PolarHBondContact O-N 3.29Å; S197-F199 VanDerWaalsContact C-N 3.27Å; S197-F199 PolarHBondContact O-N 3.17Å; S197-F200 PolarHBondContact O-N 3.24Å; S197-F200 VanDerWaalsContact O-N 3.07Å; S197-D201 VanDerWaalsContact O-CG 3.29Å; S197-D201 PolarHBondContact O-N 3.34Å
198R95.8Very high94.8Very high150 Ų15054.6 Ų54.657%0.56630%0.301SS*.Hα-helixtrans-58.4-39177.1-74.2177.4-175.1171.91.5112.6V194 K195 K202V194-R198 WeakPolarHBondContact O-CG 3.35Å; V194-R198 PolarHBondContact O-N 3.04Å; K195-R198 PolarHBondContact O-N 3.25Å; R198-K202 VanDerWaalsContact O-CB 3.31Å; R198-K202 WeakPolarHBondContact O-CB 3.47Å; R198-K202 PolarHBondContact O-N 3.18Å
199F97.4Very high94.5Very high6 Ų654.8 Ų54.83%0.02628%0.282CS..Hα-helixtrans-61.4-48.3174.2167.7-103.7000111.6V9 I92 P141 L143 K195 L196 S197 K202 V203V9-F199 HydrophobicContact CG1-CE1 4.01Å; V9-F199 HydrophobicContact CG1-CZ 4.13Å; I92-F199 HydrophobicContact CD1-CE1 4.07Å; I92-F199 HydrophobicContact CG1-CE1 3.73Å; I92-F199 HydrophobicContact CG1-CZ 3.95Å; P141-F199 HydrophobicContact CB-CD2 4.44Å; P141-F199 HydrophobicContact CB-CE2 4.09Å; L143-F199 HydrophobicContact CB-CD1 4.18Å; L143-F199 HydrophobicContact CB-CD2 3.61Å; L143-F199 HydrophobicContact CB-CE1 4.26Å; L143-F199 HydrophobicContact CB-CE2 3.69Å; L143-F199 HydrophobicContact CB-CG 3.85Å; L143-F199 HydrophobicContact CB-CZ 4.02Å; L143-F199 HydrophobicContact CD1-CB 4.47Å; L143-F199 HydrophobicContact CD2-CB 4.3Å; L143-F199 HydrophobicContact CD2-CD1 3.9Å; L143-F199 HydrophobicContact CD2-CE1 4.39Å; L143-F199 HydrophobicContact CD2-CG 4.02Å; L143-F199 HydrophobicContact CG-CG 4.39Å; K195-F199 PolarHBondContact O-N 3.32Å; L196-F199 WeakPolarHBondContact O-CB 3.28Å; L196-F199 PolarHBondContact O-N 3.08Å; S197-F199 VanDerWaalsContact C-N 3.27Å; S197-F199 PolarHBondContact O-N 3.17Å; F199-K202 PolarHBondContact O-N 3.14Å; F199-V203 HydrophobicContact CD2-CG2 4.41Å; F199-V203 HydrophobicContact CE1-CG2 4.25Å; F199-V203 HydrophobicContact CE2-CG2 3.97Å; F199-V203 HydrophobicContact CZ-CG2 3.89Å; F199-V203 WeakPolarHBondContact O-CG2 3.41Å; F199-V203 PolarHBondContact O-N 2.9Å
200F97.3Very high93.9Very high0 Ų055.7 Ų55.70%027%0.273CS..Hα-helixtrans-65-40.9178.1-66.6-42.9000112.6V9 I26 Q48 I62 L64 L196 S197 K202 V203 I204V9-F200 HydrophobicContact CG2-CE1 4.45Å; I26-F200 HydrophobicContact CG2-CE2 4.31Å; I26-F200 HydrophobicContact CG2-CZ 4.14Å; Q48-F200 HydrophobicContact CG-CB 4.03Å; I62-F200 HydrophobicContact CD1-CB 4.27Å; I62-F200 HydrophobicContact CD1-CD1 4.37Å; I62-F200 HydrophobicContact CD1-CG 4.37Å; I62-F200 HydrophobicContact CG1-CD1 4.25Å; I62-F200 HydrophobicContact CG1-CG 4.27Å; I62-F200 HydrophobicContact CG2-CD1 3.84Å; I62-F200 HydrophobicContact CG2-CE1 3.66Å; I62-F200 HydrophobicContact CG2-CZ 4.31Å; L64-F200 HydrophobicContact CD2-CE1 4.11Å; L64-F200 HydrophobicContact CD2-CZ 4.26Å; L196-F200 HydrophobicContact CD1-CD2 4.32Å; L196-F200 HydrophobicContact CD1-CE1 4.41Å; L196-F200 HydrophobicContact CD1-CE2 3.59Å; L196-F200 HydrophobicContact CD1-CZ 3.64Å; L196-F200 HydrophobicContact CD2-CE2 3.98Å; L196-F200 HydrophobicContact CG-CD2 4.08Å; L196-F200 HydrophobicContact CG-CE2 3.51Å; L196-F200 HydrophobicContact CG-CZ 4.1Å; L196-F200 WeakPolarHBondContact O-CD2 3.26Å; L196-F200 PolarHBondContact O-N 3.01Å; L196-F200 VanDerWaalsContact O-N 3.08Å; S197-F200 PolarHBondContact O-N 3.24Å; S197-F200 VanDerWaalsContact O-N 3.07Å; F200-K202 VanDerWaalsContact C-N 3.33Å; F200-K202 PolarHBondContact O-N 3.27Å; F200-V203 WeakPolarHBondContact O-CB 3.24Å; F200-V203 PolarHBondContact O-N 3.38Å; F200-V203 VanDerWaalsContact O-N 3.15Å; F200-I204 VanDerWaalsContact O-CG1 3.31Å; F200-I204 WeakPolarHBondContact O-CG1 3.42Å; F200-I204 PolarHBondContact O-N 3.45Å
201D95.1Very high92.1Very high29 Ų2964.4 Ų64.416%0.15530%0.301CS..Hα-helixtrans-58.9-45.9175-67.7-25000110.7Y50 S197 V203 I204 E205Y50-D201 HydrophobicContact CD2-CB 4.07Å; Y50-D201 WeakPolarHBondContact CD2-OD1 3.48Å; Y50-D201 HydrophobicContact CE2-CB 4.2Å; S197-D201 VanDerWaalsContact O-CG 3.29Å; S197-D201 PolarHBondContact O-N 3.34Å; D201-V203 VanDerWaalsContact C-N 3.31Å; D201-V203 PolarHBondContact O-N 3.07Å; D201-I204 PolarHBondContact O-N 3.49Å; D201-I204 VanDerWaalsContact O-N 3.15Å; D201-E205 WeakPolarHBondContact O-CB 3.46Å; D201-E205 VanDerWaalsContact O-CG 3.31Å; D201-E205 WeakPolarHBondContact O-CG 3.1Å; D201-E205 PolarHBondContact O-N 3.13Å
202K94.7Very high89.9Confident115 Ų11566.5 Ų66.550%0.531%0.305SS..Hα-helixtrans-61-37.7175.8-173.8177.1-178.6179.40112.7P141 R198 F199 F200 K206P141-K202 HydrophobicContact CB-CD 4.23Å; P141-K202 HydrophobicContact CB-CG 4.24Å; P141-K202 HydrophobicContact CG-CG 4.14Å; R198-K202 VanDerWaalsContact O-CB 3.31Å; R198-K202 WeakPolarHBondContact O-CB 3.47Å; R198-K202 PolarHBondContact O-N 3.18Å; F199-K202 PolarHBondContact O-N 3.14Å; F200-K202 VanDerWaalsContact C-N 3.33Å; F200-K202 PolarHBondContact O-N 3.27Å; K202-K206 WeakPolarHBondContact O-CB 3.24Å; K202-K206 PolarHBondContact O-N 3.43Å
203V95.7Very high87.2Confident0 Ų071.5 Ų71.50%034%0.342CS..Hα-helixtrans-64.7-44.8174.5168.60000111V7 V9 N89 P141 F199 F200 D201 R207V7-V203 HydrophobicContact CB-CG1 3.98Å; V7-V203 HydrophobicContact CG1-CG1 4.3Å; V7-V203 HydrophobicContact CG2-CG1 4.1Å; V9-V203 HydrophobicContact CG2-CG1 4.19Å; N89-V203 HydrophobicContact CB-CG1 3.75Å; P141-V203 HydrophobicContact CB-CG2 3.89Å; P141-V203 HydrophobicContact CG-CG2 3.98Å; F199-V203 HydrophobicContact CD2-CG2 4.41Å; F199-V203 HydrophobicContact CE1-CG2 4.25Å; F199-V203 HydrophobicContact CE2-CG2 3.97Å; F199-V203 HydrophobicContact CZ-CG2 3.89Å; F199-V203 WeakPolarHBondContact O-CG2 3.41Å; F199-V203 PolarHBondContact O-N 2.9Å; F200-V203 WeakPolarHBondContact O-CB 3.24Å; F200-V203 PolarHBondContact O-N 3.38Å; F200-V203 VanDerWaalsContact O-N 3.15Å; D201-V203 VanDerWaalsContact C-N 3.31Å; D201-V203 PolarHBondContact O-N 3.07Å; V203-R207 WeakPolarHBondContact O-CB 3.43Å; V203-R207 PolarHBondContact O-N 3.15Å; V203-R207 VanDerWaalsContact O-N 3.12Å
204I95.1Very high84.7Confident0 Ų074.2 Ų74.20%036%0.36CS..Hα-helixtrans-64-48.8177.7-69.2163.6000110.5V7 Q48 Y50 F60 I62 F200 D201 K206 R207 Y208 F209V7-I204 HydrophobicContact CG1-CG1 4.14Å; V7-I204 HydrophobicContact CG2-CG1 4.32Å; Q48-I204 HydrophobicContact CG-CD1 4.28Å; Y50-I204 HydrophobicContact CD2-CB 4.34Å; Y50-I204 HydrophobicContact CD2-CD1 4.48Å; Y50-I204 HydrophobicContact CD2-CG2 4Å; Y50-I204 HydrophobicContact CE2-CG2 4.38Å; Y50-I204 HydrophobicContact CG-CG2 4.16Å; F60-I204 HydrophobicContact CB-CD1 3.81Å; F60-I204 HydrophobicContact CB-CG1 4.31Å; F60-I204 HydrophobicContact CD1-CG1 4.3Å; F60-I204 HydrophobicContact CD1-CG2 4.12Å; F60-I204 HydrophobicContact CD2-CD1 3.77Å; F60-I204 HydrophobicContact CD2-CG1 4.33Å; F60-I204 HydrophobicContact CD2-CG2 3.91Å; F60-I204 HydrophobicContact CE1-CG2 3.78Å; F60-I204 HydrophobicContact CE2-CD1 4.47Å; F60-I204 HydrophobicContact CE2-CG2 3.54Å; F60-I204 HydrophobicContact CG-CD1 3.79Å; F60-I204 HydrophobicContact CG-CG1 4.07Å; F60-I204 HydrophobicContact CG-CG2 4.19Å; F60-I204 HydrophobicContact CZ-CG2 3.46Å; F60-I204 VanDerWaalsContact CZ-CG2 3.46Å; I62-I204 HydrophobicContact CD1-CD1 4.03Å; I62-I204 HydrophobicContact CD1-CG1 4.34Å; F200-I204 VanDerWaalsContact O-CG1 3.31Å; F200-I204 WeakPolarHBondContact O-CG1 3.42Å; F200-I204 PolarHBondContact O-N 3.45Å; D201-I204 PolarHBondContact O-N 3.49Å; D201-I204 VanDerWaalsContact O-N 3.15Å; I204-K206 VanDerWaalsContact C-N 3.32Å; I204-K206 PolarHBondContact O-N 2.95Å; I204-R207 PolarHBondContact O-N 3.23Å; I204-R207 VanDerWaalsContact O-N 3.12Å; I204-Y208 HydrophobicContact CG2-CD2 4.26Å; I204-Y208 PolarHBondContact O-N 3.3Å; I204-F209 HydrophobicContact CG2-CD2 4.48Å; I204-F209 HydrophobicContact CG2-CE2 3.91Å
205E92.9Very high82.1Confident80 Ų8080 Ų8037%0.37438%0.383SS..Iπ-helixtrans-53.4-49.5177-77.5174.3176.400112.2Y50 D201 R207 F209 T210Y50-E205 HydrophobicContact CE2-CG 3.71Å; Y50-E205 WeakPolarHBondContact OH-CG 3.39Å; Y50-E205 PolarHBondContact OH-OE1 3.37Å; D201-E205 WeakPolarHBondContact O-CB 3.46Å; D201-E205 VanDerWaalsContact O-CG 3.31Å; D201-E205 WeakPolarHBondContact O-CG 3.1Å; D201-E205 PolarHBondContact O-N 3.13Å; E205-R207 VanDerWaalsContact C-N 3.29Å; E205-R207 PolarHBondContact O-N 3.04Å; E205-F209 HydrophobicContact CG-CD2 4.37Å; E205-F209 CarbonylContact O-C 3.58Å; E205-F209 WeakPolarHBondContact O-CA 3.46Å; E205-F209 PolarHBondContact O-N 3.34Å; E205-T210 PolarHBondContact O-N 2.95Å; E205-T210 PolarHBondContact O-OG1 2.88Å
206K91.5Very high79.2Confident68 Ų6885.4 Ų85.430%0.29641%0.411SS..Iπ-helixtrans-65.5-34.4-179.6-168.7164.4178.2150.20113N138 A139 P141 K202 I204 T210N138-K206 PolarHBondContact O-NZ 3.48Å; A139-K206 PolarHBondContact O-NZ 3.16Å; P141-K206 HydrophobicContact CG-CD 4.05Å; K202-K206 WeakPolarHBondContact O-CB 3.24Å; K202-K206 PolarHBondContact O-N 3.43Å; I204-K206 VanDerWaalsContact C-N 3.32Å; I204-K206 PolarHBondContact O-N 2.95Å; K206-T210 WeakPolarHBondContact CA-OG1 3.3Å
207R90.8Very high76.4Confident127 Ų12791.8 Ų91.848%0.47945%0.451SS..Iπ-helixtrans-79.7-38.1-177.8176.157.3-17689.30.9113.5V7 V203 I204 E205V7-R207 HydrophobicContact CG1-CB 4.3Å; V7-R207 HydrophobicContact CG1-CG 4.24Å; V203-R207 WeakPolarHBondContact O-CB 3.43Å; V203-R207 PolarHBondContact O-N 3.15Å; V203-R207 VanDerWaalsContact O-N 3.12Å; I204-R207 PolarHBondContact O-N 3.23Å; I204-R207 VanDerWaalsContact O-N 3.12Å; E205-R207 VanDerWaalsContact C-N 3.29Å; E205-R207 PolarHBondContact O-N 3.04Å
208Y90Very high73.6Confident60 Ų6093.2 Ų93.224%0.23547%0.47CS..Iπ-helixtrans-114.1-28.6-168-71-78.3000114.2D5 R6 V7 F60 I204D5-Y208 HydrophobicContact CB-CE1 4.3Å; D5-Y208 HydrophobicContact CB-CE2 4.46Å; R6-Y208 PolarHBondContact N-OH 3.22Å; R6-Y208 VanDerWaalsContact N-OH 3.13Å; R6-Y208 PolarHBondContact O-OH 3.43Å; V7-Y208 HydrophobicContact CG1-CD2 4.27Å; V7-Y208 HydrophobicContact CG1-CE2 3.6Å; F60-Y208 HydrophobicContact CD1-CD2 4.23Å; F60-Y208 AromaticContact CD1-CE2 3.9Å; F60-Y208 HydrophobicContact CD1-CE2 3.9Å; F60-Y208 AromaticContact CE1-CD2 3.54Å; F60-Y208 HydrophobicContact CE1-CD2 3.54Å; F60-Y208 AromaticContact CE1-CE2 3.58Å; F60-Y208 HydrophobicContact CE1-CE2 3.58Å; F60-Y208 HydrophobicContact CE1-CG 4.08Å; F60-Y208 HydrophobicContact CZ-CD2 4.32Å; I204-Y208 HydrophobicContact CG2-CD2 4.26Å; I204-Y208 PolarHBondContact O-N 3.3Å
209F85.3Confident70.8Confident107 Ų10796.3 Ų96.347%0.46949%0.488SS..Iπ-helixtrans-114.2-15.9-169.4-56.3-57.3000113.8Y50 F60 I204 E205 R211Y50-F209 HydrophobicContact CD1-CE2 4.07Å; Y50-F209 HydrophobicContact CE1-CD2 4.16Å; Y50-F209 AromaticContact CE1-CE2 3.47Å; Y50-F209 HydrophobicContact CE1-CE2 3.47Å; Y50-F209 VanDerWaalsContact CE1-CE2 3.47Å; Y50-F209 HydrophobicContact CE1-CZ 4.07Å; Y50-F209 HydrophobicContact CE2-CE2 4.45Å; Y50-F209 AromaticContact CZ-CD2 3.94Å; Y50-F209 AromaticContact CZ-CE2 3.68Å; F60-F209 HydrophobicContact CZ-CE2 4.37Å; F60-F209 HydrophobicContact CZ-CZ 4.27Å; I204-F209 HydrophobicContact CG2-CD2 4.48Å; I204-F209 HydrophobicContact CG2-CE2 3.91Å; E205-F209 HydrophobicContact CG-CD2 4.37Å; E205-F209 CarbonylContact O-C 3.58Å; E205-F209 WeakPolarHBondContact O-CA 3.46Å; E205-F209 PolarHBondContact O-N 3.34Å; F209-R211 VanDerWaalsContact C-N 3.25Å; F209-R211 PolarHBondContact O-N 3.03Å
210T78.3Confident68.1Low98 Ų98102.4 Ų102.460%0.60153%0.526SS*.  trans-75.879.1167-500000109.6E205 K206E205-T210 PolarHBondContact O-N 2.95Å; E205-T210 PolarHBondContact O-OG1 2.88Å; K206-T210 WeakPolarHBondContact CA-OG1 3.3Å
211R58.7Low65.4Low225 Ų225109.7 Ų109.785%0.84957%0.565SS**  trans-85.5128.5163.1-80.2-173.4173.3-178-1.8108.9F209 S213F209-R211 VanDerWaalsContact C-N 3.25Å; F209-R211 PolarHBondContact O-N 3.03Å; R211-S213 PolarHBondContact O-N 3.19Å
212D49.5Very low62.7Low129 Ų129120.2 Ų120.269%0.6960%0.603SS**  trans-38.8123.3166.4-103.3-37.1000112.3S214D212-S214 WeakPolarHBondContact CB-OG 3.22Å; D212-S214 PolarHBondContact O-N 3.18Å
213S41.5Very low60.2Low126 Ų126123.8 Ų123.888%0.88162%0.618SS**G310 helixtrans-59.1-3.2168.6-33.90000113.2R211R211-S213 PolarHBondContact O-N 3.19Å
214S43.3Very low57.4Low79 Ų79135.6 Ų135.655%0.55266%0.663SS**G310 helixtrans-90.1-0.1-175.157.10000114.9D212D212-S214 WeakPolarHBondContact CB-OG 3.22Å; D212-S214 PolarHBondContact O-N 3.18Å
215Q40.1Very low54.6Low181 Ų181144 Ų14485%0.84670%0.699SS**G310 helixtrans-107.725.3174.2-71-160.510.500115.3
216M37Very low51.6Low181 Ų181148.3 Ų148.389%0.89273%0.725SS**SBendtrans-11517.9173.4-133.3160.5102.300114.8
217T38.5Very low49Very low136 Ų136153.7 Ų153.783%0.83475%0.749SS**SBendtrans-123.181.9166.153.80000109.7
218G36.7Very low46.4Very low61 Ų61156.7 Ų156.763%0.62977%0.765SS**SBendtrans-174.217.1-18000000117
219F37.6Very low43.9Very low214 Ų214158.8 Ų158.894%0.93979%0.789SS**  trans-150.661.7172.4-95.7-77000112.3
220T41.6Very low41.6Very low134 Ų134161 Ų16182%0.82280%0.804SS**SBendtrans-142.3137.9152.643.20000108.6
221D40Very low39.7Very low154 Ų154164.8 Ų164.882%0.82482%0.815SS**  trans78.582.6178-65.9-33.3000119.8
222R37.9Very low38.8Very low250 Ų250164.1 Ų164.194%0.94381%0.814SS**  trans-153.168.4131.3-108.8174.1-166.7-169.55.2111.7
223K42Very low38.5Very low189 Ų189169.2 Ų169.282%0.82284%0.842SS**  trans-138.583.5152.7-81.6-167.6-179.9177.30109.3
224R37.6Very low38.3Very low248 Ų248171.4 Ų171.494%0.93684%0.84SS**  trans-121.3116.9150.2-87.4-173.3176.3179.70.2108.8
225F35.3Very low38Very low177 Ų177176.3 Ų176.378%0.77686%0.855SS**  trans-51.7131.5174.3-80.1-106.4000110.8
226N31.3Very low37.9Very low171 Ų171176 Ų17691%0.91486%0.855SS**  trans-92.896.3163.3-133.94.9000106.7
227F35.9Very low38Very low181 Ų181175.7 Ų175.779%0.79485%0.853SS**  trans-84.9126.5169.3-121.9-91.4000108.5
228K36.8Very low38Very low190 Ų190178.2 Ų178.283%0.82685%0.854SS**  trans-57.2135.6173-69.7175.3172.4-179.40110.6
229S37Very low38Very low104 Ų104186 Ų18673%0.72787%0.869SS**  trans-108.1116.6151.21760000107.3
230L37.4Very low38.1Very low152 Ų152184 Ų18480%0.79686%0.864SS**PPolyproline II helixtrans-78.7124.1168-80.9131.5000107.7
231H38Very low37.8Very low178 Ų178187.8 Ų187.882%0.82487%0.867SS**PPolyproline II helixtrans-96123.3158.2-102.6-74.2000108.4
232Y38.9Very low37.6Very low211 Ų211190.7 Ų190.783%0.82787%0.871SS**PPolyproline II helixtrans-74.4129.5159.5-107.4-99.1000108
233D43.2Very low37.6Very low237 Ų237185.3 Ų185.3100%1.26787%0.865SS**  trans-162.20130.8-85.8-27.1000108.6

Retrieved 233 of 233 residues in 401.9 ms (Link to these results)