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Ribosome hibernation promotion factor

Required for dimerization of active 70S ribosomes into 100S ribosomes in stationary phase; 100S ribosomes are translationally inactive and sometimes present during exponential growth.

AlphaFold DB (Q2G055), UniProt , Accession Q99VM3, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene hpf, Length 190 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
1M63.3Low80.2Confident198 Ų19882.4 Ų82.498%0.97541%0.408SS*.  01260-158.5169.5-167.200107.8E29M1-E29 VanDerWaalsContact CA-OE1 3.27Å; M1-E29 WeakPolarHBondContact CA-OE1 3.37Å
2I72.6Confident80.3Confident14 Ų1485.3 Ų85.37%0.07243%0.434CS..  trans-72.7133.8176.8-62.2176.8000108.1F4 E29 F32 A38 A40I2-F4 HydrophobicContact CB-CE2 4.14Å; I2-F4 HydrophobicContact CB-CZ 4.06Å; I2-F4 HydrophobicContact CG2-CD1 4.49Å; I2-F4 HydrophobicContact CG2-CE1 4.04Å; I2-F4 HydrophobicContact CG2-CE2 4.17Å; I2-F4 HydrophobicContact CG2-CZ 3.87Å; I2-F4 WeakPolarHBondContact O-CE2 3.42Å; I2-E29 HydrophobicContact CD1-CG 3.64Å; I2-E29 HydrophobicContact CG1-CG 3.87Å; I2-E29 PolarHBondContact N-OE1 3.36Å; I2-F32 HydrophobicContact CD1-CD2 4.23Å; I2-A38 WeakPolarHBondContact CA-O 3.46Å; I2-A38 HydrophobicContact CG1-CB 4.17Å; I2-A38 HydrophobicContact CG2-CB 4.49Å; I2-A38 WeakPolarHBondContact CG2-O 3.3Å; I2-A40 HydrophobicContact CG2-CB 3.77Å
3R81.3Confident80.5Confident147 Ų14782.2 Ų82.256%0.55542%0.418SS*.EExtended strand (participates in β ladder)trans-88.8132.8171.7-73.9-174.9-83.4174.1-8.1108.9N37 A38 V39 A40R3-N37 PolarHBondContact NH2-OD1 3.22Å; R3-A38 PolarHBondContact N-O 3.33Å; R3-V39 HydrophobicContact CB-CG2 4.37Å; R3-V39 CarbonylContact O-C 3.49Å; R3-V39 VanDerWaalsContact O-CA 3.31Å; R3-V39 WeakPolarHBondContact O-CA 3.41Å; R3-A40 PolarHBondContact O-N 3.08Å
4F84.1Confident80.9Confident35 Ų3581.3 Ų81.315%0.15442%0.419CS..EExtended strand (participates in β ladder)trans-105.9120.7-178.6-65-84.7000110.8I2 I6 I21 E22 I25 A40I2-F4 HydrophobicContact CB-CE2 4.14Å; I2-F4 HydrophobicContact CB-CZ 4.06Å; I2-F4 HydrophobicContact CG2-CD1 4.49Å; I2-F4 HydrophobicContact CG2-CE1 4.04Å; I2-F4 HydrophobicContact CG2-CE2 4.17Å; I2-F4 HydrophobicContact CG2-CZ 3.87Å; I2-F4 WeakPolarHBondContact O-CE2 3.42Å; F4-I6 HydrophobicContact CB-CG1 4.31Å; F4-I21 HydrophobicContact CD1-CG2 4.43Å; F4-E22 HydrophobicContact CD2-CG 3.7Å; F4-E22 HydrophobicContact CE2-CB 4.44Å; F4-E22 HydrophobicContact CE2-CG 4.05Å; F4-E22 HydrophobicContact CG-CG 4.09Å; F4-I25 HydrophobicContact CE1-CB 3.71Å; F4-I25 HydrophobicContact CE1-CD1 4.31Å; F4-I25 HydrophobicContact CE1-CG2 3.58Å; F4-I25 HydrophobicContact CZ-CB 4.14Å; F4-I25 HydrophobicContact CZ-CG2 4.07Å; F4-A40 HydrophobicContact CD1-CB 3.7Å; F4-A40 HydrophobicContact CE1-CB 3.86Å
5E88Confident81.4Confident89 Ų8983.6 Ų83.642%0.41643%0.432SS..EExtended strand (participates in β ladder)trans-107.2102.6170.2-71.9-176.918000108.4V39 A40 H41 V42E5-V39 HydrophobicContact CB-CG1 4.4Å; E5-V39 HydrophobicContact CG-CG1 3.85Å; E5-A40 PolarHBondContact N-O 2.95Å; E5-H41 IonicContact OE2-CE1 2.99Å; E5-H41 PolarHBondContact OE2-CE1 3.21Å; E5-H41 IonicContact OE2-ND1 2.94Å; E5-H41 PolarHBondContact OE2-ND1 3.02Å; E5-V42 PolarHBondContact O-N 2.97Å
6I87.8Confident81.9Confident18 Ų1881.8 Ų81.89%0.09243%0.434CS..EExtended strand (participates in β ladder)trans-104.6118.1-176-45.4177.9000108.8F4 I13 R18 I21 V42F4-I6 HydrophobicContact CB-CG1 4.31Å; I6-I13 HydrophobicContact CB-CD1 4.04Å; I6-I13 HydrophobicContact CG2-CD1 3.51Å; I6-I13 HydrophobicContact CG2-CG1 4.26Å; I6-I13 HydrophobicContact CG2-CG2 4.3Å; I6-I13 WeakPolarHBondContact O-CD1 3.33Å; I6-R18 HydrophobicContact CD1-CB 4.15Å; I6-R18 HydrophobicContact CD1-CG 3.9Å; I6-I21 HydrophobicContact CD1-CB 4.28Å; I6-I21 HydrophobicContact CD1-CD1 3.98Å; I6-I21 HydrophobicContact CD1-CG2 4.15Å; I6-I21 HydrophobicContact CG2-CD1 4.04Å; I6-V42 WeakPolarHBondContact CA-O 3.33Å; I6-V42 HydrophobicContact CG1-CB 4.38Å; I6-V42 HydrophobicContact CG2-CB 4.22Å; I6-V42 HydrophobicContact CG2-CG1 4.32Å
7H87.3Confident82.2Confident107 Ų10777.9 Ų77.950%0.49541%0.413SS..EExtended strand (participates in β ladder)trans-116.7125.7177.8-65.8-78.9000110.6V42 K43 V44H7-V42 PolarHBondContact N-O 2.79Å; H7-K43 WeakPolarHBondContact O-CA 3.5Å; H7-V44 PolarHBondContact O-N 2.96Å
8G83.4Confident82.5Confident28 Ų2879.1 Ų79.129%0.28941%0.41SS..EExtended strand (participates in β ladder)trans-108.4116.617600000110.2
9D80.3Confident82.9Confident59 Ų5979.9 Ų79.932%0.31642%0.416SS..EExtended strand (participates in β ladder)trans-89.3118.1167.8-66.7-14.1000107.3L11 K43 V44 K45D9-L11 VanDerWaalsContact C-N 3.27Å; D9-L11 PolarHBondContact O-N 3.03Å; D9-K43 WeakPolarHBondContact OD2-CE 3.17Å; D9-K43 IonicContact OD2-NZ 3.19Å; D9-K43 PolarHBondContact OD2-NZ 2.97Å; D9-V44 PolarHBondContact N-O 3.1Å; D9-K45 HydrophobicContact CB-CG 4.1Å; D9-K45 WeakPolarHBondContact OD2-CE 3.45Å; D9-K45 IonicContact OD2-NZ 3.79Å
10N75.9Confident83.3Confident148 Ų14878.2 Ų78.279%0.79140%0.404SS*.SBendtrans6321.4-177.3-57.4-28.2000115.8
11L78.7Confident83.5Confident63 Ų6374.6 Ų74.633%0.3339%0.385SS..SBendtrans-138.5132.4174.1-170.772.5000110.4D9 I13 I17 V44 T46D9-L11 VanDerWaalsContact C-N 3.27Å; D9-L11 PolarHBondContact O-N 3.03Å; L11-I13 PolarHBondContact O-N 3.45Å; L11-I17 HydrophobicContact CD2-CD1 4.39Å; L11-V44 HydrophobicContact CD2-CG1 4.02Å; L11-T46 HydrophobicContact CB-CG2 4.42Å
12T80.8Confident84.7Confident118 Ų11868.7 Ų68.772%0.72436%0.355SS*.  trans-75.9115.4167.244.30000109.1T14T12-T14 PolarHBondContact O-N 3.46Å; T12-T14 VanDerWaalsContact O-N 3.13Å
13I82.6Confident85.5Confident44 Ų4473.7 Ų73.723%0.22638%0.378CS..  trans-73.9107.1176.2-61160.2000107.7I6 L11 I17I6-I13 HydrophobicContact CB-CD1 4.04Å; I6-I13 HydrophobicContact CG2-CD1 3.51Å; I6-I13 HydrophobicContact CG2-CG1 4.26Å; I6-I13 HydrophobicContact CG2-CG2 4.3Å; I6-I13 WeakPolarHBondContact O-CD1 3.33Å; L11-I13 PolarHBondContact O-N 3.45Å; I13-I17 HydrophobicContact CG2-CB 4.37Å; I13-I17 HydrophobicContact CG2-CG2 4.32Å
14T87.1Confident85.7Confident70 Ų7068.3 Ų68.343%0.42936%0.359SS..  trans-75.5156.4171.757.80000110.5T12 A16 I17 R18T12-T14 PolarHBondContact O-N 3.46Å; T12-T14 VanDerWaalsContact O-N 3.13Å; T14-A16 PolarHBondContact O-N 3.27Å; T14-I17 PolarHBondContact O-N 3.48Å; T14-I17 WeakPolarHBondContact OG1-CD1 3.46Å; T14-I17 WeakPolarHBondContact OG1-CG1 3.39Å; T14-R18 PolarHBondContact O-N 2.85Å
15D88.6Confident85.7Confident116 Ų11666.8 Ų66.862%0.6235%0.352SS*.Hα-helixtrans-60.5-29.9178.4-62.3-38.3000112.3I17 R18 N19D15-I17 VanDerWaalsContact C-N 3.35Å; D15-I17 PolarHBondContact O-N 3.01Å; D15-R18 PolarHBondContact O-N 3.15Å; D15-N19 WeakPolarHBondContact O-CB 3.36Å; D15-N19 PolarHBondContact O-N 2.86Å; D15-N19 PolarHBondContact O-ND2 2.99Å
16A89.3Confident85.3Confident55 Ų5563.6 Ų63.646%0.45534%0.343SS..Hα-helixtrans-59.9-43.4173.900000112.2T14 Y20T14-A16 PolarHBondContact O-N 3.27Å; A16-Y20 WeakPolarHBondContact O-CB 3.46Å; A16-Y20 PolarHBondContact O-N 3.42Å
17I87.1Confident85Confident15 Ų1567.5 Ų67.58%0.07736%0.36CS..Hα-helixtrans-67.3-43.6178.2-65.7168.4000110.1L11 I13 T14 D15 Y20 I21 L74L11-I17 HydrophobicContact CD2-CD1 4.39Å; I13-I17 HydrophobicContact CG2-CB 4.37Å; I13-I17 HydrophobicContact CG2-CG2 4.32Å; T14-I17 PolarHBondContact O-N 3.48Å; T14-I17 WeakPolarHBondContact OG1-CD1 3.46Å; T14-I17 WeakPolarHBondContact OG1-CG1 3.39Å; D15-I17 VanDerWaalsContact C-N 3.35Å; D15-I17 PolarHBondContact O-N 3.01Å; I17-Y20 PolarHBondContact O-N 2.91Å; I17-I21 HydrophobicContact CG2-CD1 3.74Å; I17-I21 HydrophobicContact CG2-CG1 4.46Å; I17-I21 VanDerWaalsContact O-CG1 3.28Å; I17-I21 WeakPolarHBondContact O-CG1 3.49Å; I17-I21 PolarHBondContact O-N 2.99Å; I17-L74 HydrophobicContact CB-CD2 4.4Å; I17-L74 HydrophobicContact CD1-CD2 3.6Å; I17-L74 HydrophobicContact CG1-CD2 3.74Å; I17-L74 HydrophobicContact CG2-CD2 3.75Å
18R87.5Confident84.6Confident99 Ų9962.5 Ų62.537%0.37434%0.336SS..Hα-helixtrans-57.8-52.6176.6179.1-174.3-61.5-106.30.2111I6 T14 D15 Y20 I21 E22I6-R18 HydrophobicContact CD1-CB 4.15Å; I6-R18 HydrophobicContact CD1-CG 3.9Å; T14-R18 PolarHBondContact O-N 2.85Å; D15-R18 PolarHBondContact O-N 3.15Å; R18-Y20 VanDerWaalsContact C-N 3.28Å; R18-Y20 PolarHBondContact O-N 3.25Å; R18-I21 PolarHBondContact O-N 3.32Å; R18-E22 WeakPolarHBondContact CG-OE1 3.48Å; R18-E22 WeakPolarHBondContact O-CG 3.5Å; R18-E22 PolarHBondContact O-N 3.47Å
19N90.5Very high84.2Confident95 Ų9564.5 Ų64.551%0.50834%0.338SS..Hα-helixtrans-60.3-39.3-179.9-67.7-14.4000111.5D15 E22 E23D15-N19 WeakPolarHBondContact O-CB 3.36Å; D15-N19 PolarHBondContact O-N 2.86Å; D15-N19 PolarHBondContact O-ND2 2.99Å; N19-E22 PolarHBondContact O-N 3.4Å; N19-E23 WeakPolarHBondContact O-CB 3.24Å; N19-E23 PolarHBondContact O-N 2.99Å
20Y90.4Very high84Confident46 Ų4671.8 Ų71.818%0.1836%0.361CS..Hα-helixtrans-65-42.8177.7-166-102.3000112.4A16 I17 R18 E23 K24 Y75 I78 D79A16-Y20 WeakPolarHBondContact O-CB 3.46Å; A16-Y20 PolarHBondContact O-N 3.42Å; I17-Y20 PolarHBondContact O-N 2.91Å; R18-Y20 VanDerWaalsContact C-N 3.28Å; R18-Y20 PolarHBondContact O-N 3.25Å; Y20-E23 PolarHBondContact O-N 3.34Å; Y20-K24 HydrophobicContact CD1-CG 4.16Å; Y20-K24 HydrophobicContact CE1-CG 3.91Å; Y20-K24 HydrophobicContact CE2-CG 4.4Å; Y20-K24 VanDerWaalsContact CZ-CE 3.43Å; Y20-K24 WeakPolarHBondContact O-CB 3.5Å; Y20-K24 VanDerWaalsContact O-CG 3.26Å; Y20-K24 WeakPolarHBondContact O-CG 3.37Å; Y20-K24 PolarHBondContact O-N 2.96Å; Y20-K24 VanDerWaalsContact OH-CE 3.3Å; Y20-K24 WeakPolarHBondContact OH-CE 3.14Å; Y20-K24 PolarHBondContact OH-NZ 3.03Å; Y20-Y75 AromaticContact CD1-CD1 3.6Å; Y20-Y75 HydrophobicContact CD1-CD1 3.6Å; Y20-Y75 HydrophobicContact CD1-CE1 4.18Å; Y20-Y75 HydrophobicContact CD2-CD1 4.01Å; Y20-Y75 HydrophobicContact CD2-CE1 4.23Å; Y20-Y75 AromaticContact CE1-CD1 3.7Å; Y20-Y75 HydrophobicContact CE1-CD1 3.7Å; Y20-Y75 HydrophobicContact CE1-CG 4.44Å; Y20-Y75 HydrophobicContact CE2-CD1 4.09Å; Y20-Y75 AromaticContact CG-CD1 3.75Å; Y20-Y75 HydrophobicContact CG-CD1 3.75Å; Y20-Y75 AromaticContact CG-CE1 3.94Å; Y20-Y75 HydrophobicContact CG-CE1 3.94Å; Y20-Y75 AromaticContact CZ-CD1 3.94Å; Y20-I78 HydrophobicContact CD1-CB 4.22Å; Y20-I78 HydrophobicContact CD1-CD1 3.74Å; Y20-I78 HydrophobicContact CD1-CG2 3.95Å; Y20-I78 HydrophobicContact CE1-CB 4.02Å; Y20-I78 HydrophobicContact CE1-CD1 4.29Å; Y20-I78 HydrophobicContact CE1-CG2 3.92Å; Y20-D79 PolarHBondContact OH-OD1 2.94Å; Y20-D79 PolarHBondContact OH-OD2 2.83Å
21I88Confident83.8Confident2 Ų268.1 Ų68.11%0.0134%0.337CS..Hα-helixtrans-62.8-46.2176.1-69.7167.1000110.3F4 I6 I17 R18 K24 I25 V42 I78F4-I21 HydrophobicContact CD1-CG2 4.43Å; I6-I21 HydrophobicContact CD1-CB 4.28Å; I6-I21 HydrophobicContact CD1-CD1 3.98Å; I6-I21 HydrophobicContact CD1-CG2 4.15Å; I6-I21 HydrophobicContact CG2-CD1 4.04Å; I17-I21 HydrophobicContact CG2-CD1 3.74Å; I17-I21 HydrophobicContact CG2-CG1 4.46Å; I17-I21 VanDerWaalsContact O-CG1 3.28Å; I17-I21 WeakPolarHBondContact O-CG1 3.49Å; I17-I21 PolarHBondContact O-N 2.99Å; R18-I21 PolarHBondContact O-N 3.32Å; I21-K24 PolarHBondContact O-N 3.4Å; I21-I25 HydrophobicContact CG2-CD1 3.61Å; I21-I25 HydrophobicContact CG2-CG1 4.3Å; I21-I25 VanDerWaalsContact O-CB 3.31Å; I21-I25 WeakPolarHBondContact O-CB 3.12Å; I21-I25 WeakPolarHBondContact O-CG1 3.45Å; I21-I25 PolarHBondContact O-N 3.37Å; I21-V42 HydrophobicContact CD1-CG1 4.18Å; I21-V42 HydrophobicContact CG2-CG2 4.04Å; I21-I78 HydrophobicContact CD1-CD1 4.25Å; I21-I78 HydrophobicContact CG1-CD1 3.62Å; I21-I78 HydrophobicContact CG1-CG1 4.31Å
22E87.5Confident83.4Confident74 Ų7466.9 Ų66.935%0.34633%0.329SS..Hα-helixtrans-63.3-42.2179-71.9-178.7-172.700112F4 R18 N19 G26F4-E22 HydrophobicContact CD2-CG 3.7Å; F4-E22 HydrophobicContact CE2-CB 4.44Å; F4-E22 HydrophobicContact CE2-CG 4.05Å; F4-E22 HydrophobicContact CG-CG 4.09Å; R18-E22 WeakPolarHBondContact CG-OE1 3.48Å; R18-E22 WeakPolarHBondContact O-CG 3.5Å; R18-E22 PolarHBondContact O-N 3.47Å; N19-E22 PolarHBondContact O-N 3.4Å; E22-G26 WeakPolarHBondContact O-CA 3.44Å; E22-G26 PolarHBondContact O-N 3.02Å
23E88.7Confident82.4Confident119 Ų11967.4 Ų67.456%0.55633%0.327SS*.Hα-helixtrans-65.9-45.2177.8-166.7-159.714200111.7N19 Y20N19-E23 WeakPolarHBondContact O-CB 3.24Å; N19-E23 PolarHBondContact O-N 2.99Å; Y20-E23 PolarHBondContact O-N 3.34Å
24K86.6Confident81.4Confident34 Ų3472.3 Ų72.315%0.14835%0.354CS..Hα-helixtrans-73.7-50.1-175.7-66.5-69.8175.5130.60111.8Y20 I21 G26 K27 I78 D79 N82Y20-K24 HydrophobicContact CD1-CG 4.16Å; Y20-K24 HydrophobicContact CE1-CG 3.91Å; Y20-K24 HydrophobicContact CE2-CG 4.4Å; Y20-K24 VanDerWaalsContact CZ-CE 3.43Å; Y20-K24 WeakPolarHBondContact O-CB 3.5Å; Y20-K24 VanDerWaalsContact O-CG 3.26Å; Y20-K24 WeakPolarHBondContact O-CG 3.37Å; Y20-K24 PolarHBondContact O-N 2.96Å; Y20-K24 VanDerWaalsContact OH-CE 3.3Å; Y20-K24 WeakPolarHBondContact OH-CE 3.14Å; Y20-K24 PolarHBondContact OH-NZ 3.03Å; I21-K24 PolarHBondContact O-N 3.4Å; K24-G26 VanDerWaalsContact C-N 3.31Å; K24-K27 WeakPolarHBondContact O-CB 3.43Å; K24-K27 PolarHBondContact O-N 3.09Å; K24-I78 HydrophobicContact CB-CG2 4.06Å; K24-I78 HydrophobicContact CG-CG2 4.26Å; K24-D79 WeakPolarHBondContact CD-OD1 3.44Å; K24-D79 WeakPolarHBondContact CE-OD1 3.27Å; K24-D79 IonicContact NZ-OD1 2.7Å; K24-D79 PolarHBondContact NZ-OD1 3.01Å; K24-D79 IonicContact NZ-OD2 3.55Å; K24-N82 PolarHBondContact O-OD1 3.44Å
25I83.2Confident80.1Confident4 Ų471.4 Ų71.42%0.02135%0.348CS..Hα-helixtrans-72.8-29.4179-57-179.4000110.5F4 I21 K27 L28 V42 V56 I58F4-I25 HydrophobicContact CE1-CB 3.71Å; F4-I25 HydrophobicContact CE1-CD1 4.31Å; F4-I25 HydrophobicContact CE1-CG2 3.58Å; F4-I25 HydrophobicContact CZ-CB 4.14Å; F4-I25 HydrophobicContact CZ-CG2 4.07Å; I21-I25 HydrophobicContact CG2-CD1 3.61Å; I21-I25 HydrophobicContact CG2-CG1 4.3Å; I21-I25 VanDerWaalsContact O-CB 3.31Å; I21-I25 WeakPolarHBondContact O-CB 3.12Å; I21-I25 WeakPolarHBondContact O-CG1 3.45Å; I21-I25 PolarHBondContact O-N 3.37Å; I25-K27 PolarHBondContact O-N 2.88Å; I25-L28 HydrophobicContact CG2-CD1 4.21Å; I25-L28 WeakPolarHBondContact O-CA 3.31Å; I25-L28 VanDerWaalsContact O-CB 3.23Å; I25-L28 WeakPolarHBondContact O-CB 3.36Å; I25-L28 PolarHBondContact O-N 3.01Å; I25-V42 HydrophobicContact CD1-CG2 4.14Å; I25-V56 HydrophobicContact CD1-CG1 4.09Å; I25-V56 HydrophobicContact CD1-CG2 4.22Å; I25-I58 HydrophobicContact CG2-CD1 4.18Å
26G81Confident78.7Confident21 Ų2171.1 Ų71.122%0.21635%0.353CS..Hα-helixtrans-58.1-27.3173.300000113.5E22 K24 L28 E29E22-G26 WeakPolarHBondContact O-CA 3.44Å; E22-G26 PolarHBondContact O-N 3.02Å; K24-G26 VanDerWaalsContact C-N 3.31Å; G26-L28 PolarHBondContact O-N 3.19Å; G26-E29 VanDerWaalsContact O-CB 3.24Å; G26-E29 WeakPolarHBondContact O-CB 3.34Å; G26-E29 WeakPolarHBondContact O-CG 3.47Å; G26-E29 PolarHBondContact O-N 2.86Å
27K80.5Confident77.6Confident101 Ų10173.6 Ų73.644%0.43936%0.358SS..G310 helixtrans-61.1-27.2172-67.4174.6-172.31790112.5K24 I25 E29K24-K27 WeakPolarHBondContact O-CB 3.43Å; K24-K27 PolarHBondContact O-N 3.09Å; I25-K27 PolarHBondContact O-N 2.88Å; K27-E29 PolarHBondContact O-N 3.24Å
28L79.4Confident76.9Confident2 Ų273 Ų731%0.0136%0.356CS..G310 helixtrans-71.8-17.6176.8-59.2176.1000112.8I25 G26 R30 Y31 F32 L85 E86I25-L28 HydrophobicContact CG2-CD1 4.21Å; I25-L28 WeakPolarHBondContact O-CA 3.31Å; I25-L28 VanDerWaalsContact O-CB 3.23Å; I25-L28 WeakPolarHBondContact O-CB 3.36Å; I25-L28 PolarHBondContact O-N 3.01Å; G26-L28 PolarHBondContact O-N 3.19Å; L28-R30 PolarHBondContact O-N 3.11Å; L28-R30 VanDerWaalsContact O-N 3.17Å; L28-Y31 HydrophobicContact CD2-CD2 4.15Å; L28-Y31 HydrophobicContact CD2-CE2 4.28Å; L28-Y31 PolarHBondContact O-N 2.99Å; L28-F32 HydrophobicContact CB-CE2 3.89Å; L28-F32 WeakPolarHBondContact O-CD2 3.2Å; L28-F32 WeakPolarHBondContact O-CE2 3.42Å; L28-L85 HydrophobicContact CD1-CB 3.65Å; L28-L85 HydrophobicContact CD1-CD1 3.78Å; L28-L85 HydrophobicContact CD1-CG 4.36Å; L28-E86 HydrophobicContact CD2-CB 4.19Å
29E75.5Confident76.7Confident70 Ų7069.6 Ų69.633%0.32735%0.346SS..G310 helixtrans-56-33.1175.4-68.4-165.3150.700112.1M1 I2 G26 K27 Y31 F32M1-E29 VanDerWaalsContact CA-OE1 3.27Å; M1-E29 WeakPolarHBondContact CA-OE1 3.37Å; I2-E29 HydrophobicContact CD1-CG 3.64Å; I2-E29 HydrophobicContact CG1-CG 3.87Å; I2-E29 PolarHBondContact N-OE1 3.36Å; G26-E29 VanDerWaalsContact O-CB 3.24Å; G26-E29 WeakPolarHBondContact O-CB 3.34Å; G26-E29 WeakPolarHBondContact O-CG 3.47Å; G26-E29 PolarHBondContact O-N 2.86Å; K27-E29 PolarHBondContact O-N 3.24Å; E29-Y31 PolarHBondContact O-N 2.98Å; E29-F32 PolarHBondContact O-N 3.27Å
30R75Confident76.4Confident212 Ų21265.1 Ų65.180%0.832%0.322SS*.G310 helixtrans-57.1-23.1176.5-64.3-176178.2-145.9-0.5113.6L28L28-R30 PolarHBondContact O-N 3.11Å; L28-R30 VanDerWaalsContact O-N 3.17Å
31Y71.4Confident76.4Confident71 Ų7166.5 Ų66.528%0.27833%0.33SS..G310 helixtrans-92.7-18.9-179.7-62.1-69.2000113.4L28 E29 E86 V89 K93L28-Y31 HydrophobicContact CD2-CD2 4.15Å; L28-Y31 HydrophobicContact CD2-CE2 4.28Å; L28-Y31 PolarHBondContact O-N 2.99Å; E29-Y31 PolarHBondContact O-N 2.98Å; Y31-E86 HydrophobicContact CE2-CG 4.13Å; Y31-E86 PolarHBondContact OH-OE1 2.95Å; Y31-V89 HydrophobicContact CD1-CG1 4.06Å; Y31-V89 HydrophobicContact CD2-CG1 4.18Å; Y31-V89 HydrophobicContact CG-CG1 3.67Å; Y31-K93 WeakPolarHBondContact O-CE 3.44Å; Y31-K93 PolarHBondContact O-NZ 2.9Å
32F69.8Low76.4Confident37 Ų3766.5 Ų66.516%0.16233%0.33CS..  trans-104.780.7-176.5-55.6-60.9000110.4I2 L28 E29 D34 V35 L60 L65 V89I2-F32 HydrophobicContact CD1-CD2 4.23Å; L28-F32 HydrophobicContact CB-CE2 3.89Å; L28-F32 WeakPolarHBondContact O-CD2 3.2Å; L28-F32 WeakPolarHBondContact O-CE2 3.42Å; E29-F32 PolarHBondContact O-N 3.27Å; F32-D34 VanDerWaalsContact C-N 3.28Å; F32-D34 PolarHBondContact O-N 2.97Å; F32-V35 HydrophobicContact CB-CG2 4.44Å; F32-L60 HydrophobicContact CD1-CD1 3.95Å; F32-L60 HydrophobicContact CD1-CD2 3.99Å; F32-L60 HydrophobicContact CE1-CD1 3.35Å; F32-L60 HydrophobicContact CE1-CD2 3.94Å; F32-L60 HydrophobicContact CE1-CG 4.29Å; F32-L60 HydrophobicContact CZ-CD1 4.1Å; F32-L60 HydrophobicContact CZ-CD2 4.39Å; F32-L65 HydrophobicContact CE1-CD1 3.9Å; F32-L65 HydrophobicContact CZ-CD1 3.5Å; F32-V89 HydrophobicContact CE1-CG2 4.19Å; F32-V89 HydrophobicContact CZ-CG2 3.82Å
33N61.8Low76.5Confident129 Ų12966.7 Ų66.769%0.6933%0.33SS*.THydrogen-bonded Turntrans-68.5-24.9-178.9-67-15.1000113.4
34D59.5Low76.5Confident147 Ų14761.1 Ų61.179%0.78630%0.304SS*.THydrogen-bonded Turntrans-132.626.8-161.6-63.5-48.3000115.4F32 P36F32-D34 VanDerWaalsContact C-N 3.28Å; F32-D34 PolarHBondContact O-N 2.97Å; D34-P36 VanDerWaalsContact O-CD 3.3Å; D34-P36 WeakPolarHBondContact O-CD 3.44Å
35V61.2Low76.5Confident50 Ų5062.7 Ų62.730%0.30331%0.31SS..  trans-113.195.1-179.4-163.50000110.9F32 N37 A38 L60F32-V35 HydrophobicContact CB-CG2 4.44Å; V35-N37 PolarHBondContact O-N 3.28Å; V35-N37 VanDerWaalsContact O-N 3.09Å; V35-A38 HydrophobicContact CG1-CB 4.06Å; V35-L60 HydrophobicContact CG1-CD2 4.41Å; V35-L60 HydrophobicContact CG2-CD2 4.24Å
36P58.8Low76.5Confident111 Ų11164.5 Ų64.572%0.72132%0.322SS*.THydrogen-bonded Turntrans-72.3-1.2-171.425.7-32.6000115.1D34D34-P36 VanDerWaalsContact O-CD 3.3Å; D34-P36 WeakPolarHBondContact O-CD 3.44Å
37N65.3Low76.5Confident106 Ų10668.1 Ų68.157%0.56733%0.33SS*.THydrogen-bonded Turntrans-15845.7-176.1-83.4-51000113.1R3 V35 V39R3-N37 PolarHBondContact NH2-OD1 3.22Å; V35-N37 PolarHBondContact O-N 3.28Å; V35-N37 VanDerWaalsContact O-N 3.09Å; N37-V39 PolarHBondContact O-N 3.05Å
38A72.5Confident76.2Confident4 Ų469.8 Ų69.83%0.03335%0.354CS..  trans-69.5122.517200000109.7I2 R3 V35 I58 L60I2-A38 WeakPolarHBondContact CA-O 3.46Å; I2-A38 HydrophobicContact CG1-CB 4.17Å; I2-A38 HydrophobicContact CG2-CB 4.49Å; I2-A38 WeakPolarHBondContact CG2-O 3.3Å; R3-A38 PolarHBondContact N-O 3.33Å; V35-A38 HydrophobicContact CG1-CB 4.06Å; A38-I58 HydrophobicContact CB-CG2 4.27Å; A38-L60 HydrophobicContact CB-CD2 4.38Å
39V83.4Confident76Confident27 Ų2774.5 Ų74.516%0.16438%0.379CS..EExtended strand (participates in β ladder)trans-102.6113.2171.1-1780000107.5R3 E5 N37 P59R3-V39 HydrophobicContact CB-CG2 4.37Å; R3-V39 CarbonylContact O-C 3.49Å; R3-V39 VanDerWaalsContact O-CA 3.31Å; R3-V39 WeakPolarHBondContact O-CA 3.41Å; E5-V39 HydrophobicContact CB-CG1 4.4Å; E5-V39 HydrophobicContact CG-CG1 3.85Å; N37-V39 PolarHBondContact O-N 3.05Å; V39-P59 WeakPolarHBondContact O-CD 3.43Å
40A84.6Confident75.9Confident0 Ų075.4 Ų75.40%039%0.393CS..EExtended strand (participates in β ladder)trans-86.4112174.800000109.3I2 R3 F4 E5 I58I2-A40 HydrophobicContact CG2-CB 3.77Å; R3-A40 PolarHBondContact O-N 3.08Å; F4-A40 HydrophobicContact CD1-CB 3.7Å; F4-A40 HydrophobicContact CE1-CB 3.86Å; E5-A40 PolarHBondContact N-O 2.95Å; A40-I58 HydrophobicContact CB-CD1 4.35Å; A40-I58 HydrophobicContact CB-CG1 3.93Å
41H89.6Confident76.1Confident75 Ų7565.9 Ų65.935%0.34736%0.36SS..EExtended strand (participates in β ladder)trans-88.3115.9173.4-57.5-75.4000109.1E5 V56 T57E5-H41 IonicContact OE2-CE1 2.99Å; E5-H41 PolarHBondContact OE2-CE1 3.21Å; E5-H41 IonicContact OE2-ND1 2.94Å; E5-H41 PolarHBondContact OE2-ND1 3.02Å; H41-V56 WeakPolarHBondContact O-CA 3.45Å; H41-T57 PolarHBondContact N-O 3.17Å; H41-T57 PolarHBondContact O-N 3.41Å
42V89.1Confident76.8Confident2 Ų263.2 Ų63.21%0.01235%0.351CS..EExtended strand (participates in β ladder)trans-111.9119.6177.4-175.70000108.6E5 I6 H7 I21 I25 V44 I54 E55 V56E5-V42 PolarHBondContact O-N 2.97Å; I6-V42 WeakPolarHBondContact CA-O 3.33Å; I6-V42 HydrophobicContact CG1-CB 4.38Å; I6-V42 HydrophobicContact CG2-CB 4.22Å; I6-V42 HydrophobicContact CG2-CG1 4.32Å; H7-V42 PolarHBondContact N-O 2.79Å; I21-V42 HydrophobicContact CD1-CG1 4.18Å; I21-V42 HydrophobicContact CG2-CG2 4.04Å; I25-V42 HydrophobicContact CD1-CG2 4.14Å; V42-V44 HydrophobicContact CG1-CG2 4.26Å; V42-I54 HydrophobicContact CG1-CG2 4.29Å; V42-E55 WeakPolarHBondContact CA-O 3.23Å; V42-V56 HydrophobicContact CG1-CG2 4.12Å; V42-V56 HydrophobicContact CG2-CG1 4.41Å; V42-V56 HydrophobicContact CG2-CG2 4.08Å
43K89.9Confident77.6Confident78 Ų7862.4 Ų62.434%0.33935%0.348SS..EExtended strand (participates in β ladder)trans-115.4120.6176.8-164.1165.7-169.9169.90110.2H7 D9 K45 I54 E55H7-K43 WeakPolarHBondContact O-CA 3.5Å; D9-K43 WeakPolarHBondContact OD2-CE 3.17Å; D9-K43 IonicContact OD2-NZ 3.19Å; D9-K43 PolarHBondContact OD2-NZ 2.97Å; K43-K45 HydrophobicContact CG-CG 4.37Å; K43-I54 WeakPolarHBondContact O-CA 3.16Å; K43-E55 HydrophobicContact CB-CB 4.43Å; K43-E55 PolarHBondContact N-O 3.47Å; K43-E55 PolarHBondContact O-N 3.09Å
44V88.2Confident78.9Confident2 Ų256.5 Ų56.51%0.01232%0.316CS..EExtended strand (participates in β ladder)trans-110.4122.2177.7-175.60000108.1H7 D9 L11 V42 T52 I54 L74H7-V44 PolarHBondContact O-N 2.96Å; D9-V44 PolarHBondContact N-O 3.1Å; L11-V44 HydrophobicContact CD2-CG1 4.02Å; V42-V44 HydrophobicContact CG1-CG2 4.26Å; V44-T52 HydrophobicContact CG1-CG2 3.51Å; V44-I54 HydrophobicContact CG2-CG2 4.41Å; V44-L74 HydrophobicContact CG1-CD1 3.6Å; V44-L74 HydrophobicContact CG2-CD1 4.3Å
45K86.2Confident80.5Confident67 Ų6750.9 Ų50.929%0.29129%0.285SS..EExtended strand (participates in β ladder)trans-123.6127176.9-60.2-168174.9-165.90109.8D9 K43 T52 K53D9-K45 HydrophobicContact CB-CG 4.1Å; D9-K45 WeakPolarHBondContact OD2-CE 3.45Å; D9-K45 IonicContact OD2-NZ 3.79Å; K43-K45 HydrophobicContact CG-CG 4.37Å; K45-T52 CarbonylContact O-C 3.48Å; K45-T52 WeakPolarHBondContact O-CA 3.42Å; K45-K53 PolarHBondContact N-O 2.76Å; K45-K53 PolarHBondContact O-N 3.44Å
46T84Confident81.9Confident42 Ų4248.7 Ų48.726%0.25827%0.271SS..EExtended strand (participates in β ladder)trans-95.7134.7171.754.40000110.1L11 T52L11-T46 HydrophobicContact CB-CG2 4.42Å; T46-T52 HydrophobicContact CG2-CG2 4.22Å
47Y81.2Confident83.4Confident97 Ų9744.9 Ų44.938%0.3825%0.246SC..  trans-98.4164171.5-68.3-78.1000110.4N49 S50 A51 K53 R70Y47-N49 WeakPolarHBondContact CB-OD1 3.31Å; Y47-N49 PolarHBondContact O-N 3.29Å; Y47-S50 PolarHBondContact O-N 3.22Å; Y47-A51 PolarHBondContact N-O 2.71Å; Y47-K53 HydrophobicContact CD2-CB 4.46Å; Y47-K53 HydrophobicContact CE2-CB 3.75Å; Y47-K53 HydrophobicContact CE2-CD 4.4Å; Y47-R70 PolarHBondContact OH-NH2 3.35Å
48S74.2Confident84.5Confident136 Ų13639.9 Ų39.995%0.95122%0.219SC*.THydrogen-bonded Turntrans-63.5-20.5-179.550.50000114.1S50S48-S50 VanDerWaalsContact C-N 3.28Å; S48-S50 PolarHBondContact O-N 3.39Å
49N75.3Confident85Confident102 Ų10242.3 Ų42.355%0.54524%0.235SC..THydrogen-bonded Turntrans-90.928.7179.969.4-31.3000113.1Y47 A51Y47-N49 WeakPolarHBondContact CB-OD1 3.31Å; Y47-N49 PolarHBondContact O-N 3.29Å; N49-A51 PolarHBondContact O-N 2.81Å
50S72Confident84.9Confident89 Ų8942.4 Ų42.462%0.62223%0.234SC*.SBendtrans59.5-11.5-174.152.90000117.3Y47 S48 T52Y47-S50 PolarHBondContact O-N 3.22Å; S48-S50 VanDerWaalsContact C-N 3.28Å; S48-S50 PolarHBondContact O-N 3.39Å; S50-T52 PolarHBondContact O-N 2.88Å
51A80.5Confident84.6Confident12 Ų1251.6 Ų51.610%0.09927%0.274CS..PPolyproline II helixtrans-68.2126.4178.300000110.9Y47 N49Y47-A51 PolarHBondContact N-O 2.71Å; N49-A51 PolarHBondContact O-N 2.81Å
52T84.6Confident84Confident14 Ų1454 Ų549%0.08629%0.29CS..EExtended strand (participates in β ladder)trans-97.7125.2174.3-56.80000109.4V44 K45 T46 S50 I54 R70 N71 L74V44-T52 HydrophobicContact CG1-CG2 3.51Å; K45-T52 CarbonylContact O-C 3.48Å; K45-T52 WeakPolarHBondContact O-CA 3.42Å; T46-T52 HydrophobicContact CG2-CG2 4.22Å; S50-T52 PolarHBondContact O-N 2.88Å; T52-I54 HydrophobicContact CG2-CG1 4.15Å; T52-R70 WeakPolarHBondContact O-CA 3.39Å; T52-N71 WeakPolarHBondContact CA-O 3.48Å; T52-N71 PolarHBondContact N-O 2.88Å; T52-N71 PolarHBondContact O-N 3.44Å; T52-L74 HydrophobicContact CG2-CD1 3.76Å
53K88.2Confident83.7Confident21 Ų2155.9 Ų55.99%0.09130%0.301CS..EExtended strand (participates in β ladder)trans-96.5125.4170.2-171.8-177-169.5-160.50109.5K45 Y47 E55 E68 E69 R70K45-K53 PolarHBondContact N-O 2.76Å; K45-K53 PolarHBondContact O-N 3.44Å; Y47-K53 HydrophobicContact CD2-CB 4.46Å; Y47-K53 HydrophobicContact CE2-CB 3.75Å; Y47-K53 HydrophobicContact CE2-CD 4.4Å; K53-E55 HydrophobicContact CD-CG 4.32Å; K53-E55 WeakPolarHBondContact CE-OE1 3.49Å; K53-E55 HydrophobicContact CG-CG 4.32Å; K53-E55 IonicContact NZ-OE1 3.33Å; K53-E55 PolarHBondContact NZ-OE1 3.47Å; K53-E68 WeakPolarHBondContact CE-OE2 3.41Å; K53-E68 IonicContact NZ-OE2 3.52Å; K53-E68 PolarHBondContact NZ-OE2 3.41Å; K53-E69 WeakPolarHBondContact CA-O 3.4Å; K53-R70 HydrophobicContact CB-CG 4.02Å; K53-R70 HydrophobicContact CD-CG 4.39Å; K53-R70 HydrophobicContact CG-CG 3.88Å
54I89.2Confident83.5Confident4 Ų457 Ų572%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-114.9127.8175.7-50.5167.5000107.3V42 K43 V44 T52 V56 E68 E69 L74 I78 I81V42-I54 HydrophobicContact CG1-CG2 4.29Å; K43-I54 WeakPolarHBondContact O-CA 3.16Å; V44-I54 HydrophobicContact CG2-CG2 4.41Å; T52-I54 HydrophobicContact CG2-CG1 4.15Å; I54-V56 HydrophobicContact CG2-CG2 4.3Å; I54-E68 WeakPolarHBondContact O-CA 3.49Å; I54-E69 PolarHBondContact N-O 3.01Å; I54-E69 PolarHBondContact O-N 3.37Å; I54-L74 HydrophobicContact CD1-CD1 3.58Å; I54-L74 HydrophobicContact CD1-CG 4.32Å; I54-L74 WeakPolarHBondContact CD1-O 3.38Å; I54-L74 HydrophobicContact CG1-CD1 3.85Å; I54-I78 HydrophobicContact CD1-CG1 3.89Å; I54-I81 HydrophobicContact CB-CD1 3.45Å; I54-I81 VanDerWaalsContact CB-CD1 3.45Å; I54-I81 HydrophobicContact CG2-CD1 3.36Å; I54-I81 WeakPolarHBondContact O-CD1 3.33Å
55E91.3Very high83.4Confident30 Ų3057.1 Ų57.114%0.1432%0.315CS..EExtended strand (participates in β ladder)trans-119.6124.7174.4-54.4-175.6-17300108.3V42 K43 K53 R66 E68V42-E55 WeakPolarHBondContact CA-O 3.23Å; K43-E55 HydrophobicContact CB-CB 4.43Å; K43-E55 PolarHBondContact N-O 3.47Å; K43-E55 PolarHBondContact O-N 3.09Å; K53-E55 HydrophobicContact CD-CG 4.32Å; K53-E55 WeakPolarHBondContact CE-OE1 3.49Å; K53-E55 HydrophobicContact CG-CG 4.32Å; K53-E55 IonicContact NZ-OE1 3.33Å; K53-E55 PolarHBondContact NZ-OE1 3.47Å; E55-R66 IonicContact OE2-CZ 3.53Å; E55-R66 IonicContact OE2-NH2 3.89Å; E55-R66 PolarHBondContact OE2-NH2 3.5Å; E55-E68 HydrophobicContact CB-CG 4.29Å; E55-E68 HydrophobicContact CG-CB 4.43Å; E55-E68 HydrophobicContact CG-CG 3.9Å
56V90.8Very high83.6Confident3 Ų359.2 Ų59.22%0.01832%0.321CS..EExtended strand (participates in β ladder)trans-117.3123.9174.3179.30000108.4I25 H41 V42 I54 I58 R66 A67 I81 L85I25-V56 HydrophobicContact CD1-CG1 4.09Å; I25-V56 HydrophobicContact CD1-CG2 4.22Å; H41-V56 WeakPolarHBondContact O-CA 3.45Å; V42-V56 HydrophobicContact CG1-CG2 4.12Å; V42-V56 HydrophobicContact CG2-CG1 4.41Å; V42-V56 HydrophobicContact CG2-CG2 4.08Å; I54-V56 HydrophobicContact CG2-CG2 4.3Å; V56-I58 HydrophobicContact CG1-CD1 4.35Å; V56-I58 HydrophobicContact CG1-CG1 4.1Å; V56-R66 WeakPolarHBondContact O-CA 3.26Å; V56-A67 PolarHBondContact N-O 2.87Å; V56-A67 PolarHBondContact O-N 3.17Å; V56-I81 HydrophobicContact CB-CG2 3.99Å; V56-I81 HydrophobicContact CG2-CD1 4.26Å; V56-I81 HydrophobicContact CG2-CG2 3.71Å; V56-L85 HydrophobicContact CB-CD1 4.37Å; V56-L85 HydrophobicContact CG1-CD1 3.93Å
57T91Very high84Confident32 Ų3257.4 Ų57.420%0.19631%0.311CS..EExtended strand (participates in β ladder)trans-124121.8175.9-56.30000109.4H41 L65 R66H41-T57 PolarHBondContact N-O 3.17Å; H41-T57 PolarHBondContact O-N 3.41Å; T57-L65 CarbonylContact C-O 3.59Å; T57-L65 WeakPolarHBondContact CA-O 3.39Å; T57-R66 PolarHBondContact OG1-NH1 3.4Å
58I87.8Confident84.5Confident0 Ų056.3 Ų56.30%031%0.309CS..EExtended strand (participates in β ladder)trans-120.3101.9176.5-51.6176.7000107.3I25 A38 A40 V56 L60 L65 L85I25-I58 HydrophobicContact CG2-CD1 4.18Å; A38-I58 HydrophobicContact CB-CG2 4.27Å; A40-I58 HydrophobicContact CB-CD1 4.35Å; A40-I58 HydrophobicContact CB-CG1 3.93Å; V56-I58 HydrophobicContact CG1-CD1 4.35Å; V56-I58 HydrophobicContact CG1-CG1 4.1Å; I58-L60 HydrophobicContact CG2-CD2 3.85Å; I58-L60 HydrophobicContact CG2-CG 4.43Å; I58-L60 PolarHBondContact O-N 2.91Å; I58-L65 HydrophobicContact CB-CB 4.4Å; I58-L65 PolarHBondContact N-O 3.02Å; I58-L65 PolarHBondContact O-N 3.45Å; I58-L85 HydrophobicContact CD1-CD1 4.42Å
59P84.6Confident85.3Confident56 Ų5651.5 Ų51.536%0.36427%0.272SS..EExtended strand (participates in β ladder)trans-73.5119.4171.929.9-28.3000109.5V39 T64V39-P59 WeakPolarHBondContact O-CD 3.43Å; P59-T64 HydrophobicContact CB-CG2 4.42Å
60L81Confident85.9Confident28 Ų2853.8 Ų53.815%0.14727%0.273CS..  trans-107.3168.3168.7-45.7165.7000108.7F32 V35 A38 I58 N62 V63 L65F32-L60 HydrophobicContact CD1-CD1 3.95Å; F32-L60 HydrophobicContact CD1-CD2 3.99Å; F32-L60 HydrophobicContact CE1-CD1 3.35Å; F32-L60 HydrophobicContact CE1-CD2 3.94Å; F32-L60 HydrophobicContact CE1-CG 4.29Å; F32-L60 HydrophobicContact CZ-CD1 4.1Å; F32-L60 HydrophobicContact CZ-CD2 4.39Å; V35-L60 HydrophobicContact CG1-CD2 4.41Å; V35-L60 HydrophobicContact CG2-CD2 4.24Å; A38-L60 HydrophobicContact CB-CD2 4.38Å; I58-L60 HydrophobicContact CG2-CD2 3.85Å; I58-L60 HydrophobicContact CG2-CG 4.43Å; I58-L60 PolarHBondContact O-N 2.91Å; L60-N62 VanDerWaalsContact C-N 3.29Å; L60-N62 PolarHBondContact O-N 3.27Å; L60-V63 CarbonylContact C-O 3.59Å; L60-V63 WeakPolarHBondContact CA-O 3.41Å; L60-V63 WeakPolarHBondContact CB-O 3.3Å; L60-V63 PolarHBondContact N-O 2.92Å; L60-L65 HydrophobicContact CD1-CD1 3.78Å; L60-L65 HydrophobicContact CD1-CG 3.94Å
61K76.9Confident86.7Confident193 Ų19351.6 Ų51.684%0.83925%0.254SS*.SBendtrans-52.9-42.5-175.6-172.6-179.9177.91780114
62N77.4Confident87Confident125 Ų12556.4 Ų56.467%0.66828%0.278SS*.SBendtrans-115.9-12.5-172.7-62.6-21000113.7L60L60-N62 VanDerWaalsContact C-N 3.29Å; L60-N62 PolarHBondContact O-N 3.27Å
63V82.4Confident87.1Confident43 Ų4359.3 Ų59.326%0.26129%0.293SS..  trans-147.4136.2-173.9174.40000108.8L60 L65 Y92L60-V63 CarbonylContact C-O 3.59Å; L60-V63 WeakPolarHBondContact CA-O 3.41Å; L60-V63 WeakPolarHBondContact CB-O 3.3Å; L60-V63 PolarHBondContact N-O 2.92Å; V63-L65 HydrophobicContact CG1-CD2 3.99Å; V63-Y92 HydrophobicContact CB-CE2 4.42Å; V63-Y92 HydrophobicContact CG2-CD2 3.69Å; V63-Y92 HydrophobicContact CG2-CE1 4.3Å; V63-Y92 HydrophobicContact CG2-CE2 3.23Å; V63-Y92 HydrophobicContact CG2-CG 4.4Å
64T85.8Confident86.9Confident100 Ų10059.1 Ų59.161%0.61329%0.293SS*.EExtended strand (participates in β ladder)trans-94.9121.8167.450.90000108.6P59P59-T64 HydrophobicContact CB-CG2 4.42Å
65L87.2Confident86.9Confident6 Ų663.4 Ų63.43%0.03131%0.309CS..EExtended strand (participates in β ladder)trans-91.4121.6172-61.6178.1000108.1F32 T57 I58 L60 V63 L85 Q88 V89F32-L65 HydrophobicContact CE1-CD1 3.9Å; F32-L65 HydrophobicContact CZ-CD1 3.5Å; T57-L65 CarbonylContact C-O 3.59Å; T57-L65 WeakPolarHBondContact CA-O 3.39Å; I58-L65 HydrophobicContact CB-CB 4.4Å; I58-L65 PolarHBondContact N-O 3.02Å; I58-L65 PolarHBondContact O-N 3.45Å; L60-L65 HydrophobicContact CD1-CD1 3.78Å; L60-L65 HydrophobicContact CD1-CG 3.94Å; V63-L65 HydrophobicContact CG1-CD2 3.99Å; L65-L85 HydrophobicContact CB-CD2 4.05Å; L65-Q88 HydrophobicContact CD2-CB 3.97Å; L65-V89 HydrophobicContact CD1-CG2 3.64Å
66R91.2Very high86.9Confident111 Ų11163.7 Ų63.742%0.41932%0.317SS..EExtended strand (participates in β ladder)trans-131.5129.1177.4-174.9178.4177.298.7-1.1109.3E55 V56 T57 E68 Q88E55-R66 IonicContact OE2-CZ 3.53Å; E55-R66 IonicContact OE2-NH2 3.89Å; E55-R66 PolarHBondContact OE2-NH2 3.5Å; V56-R66 WeakPolarHBondContact O-CA 3.26Å; T57-R66 PolarHBondContact OG1-NH1 3.4Å; R66-E68 IonicContact CZ-OE1 3.34Å; R66-E68 IonicContact NE-OE1 2.67Å; R66-E68 PolarHBondContact NE-OE1 3Å; R66-E68 IonicContact NH2-OE1 2.72Å; R66-E68 PolarHBondContact NH2-OE1 3.35Å; R66-Q88 PolarHBondContact O-NE2 3.35Å
67A91.9Very high86.8Confident4 Ų463.5 Ų63.53%0.03332%0.316CS..EExtended strand (participates in β ladder)trans-132.1134.8172.700000109.7V56 I81 K84 L85V56-A67 PolarHBondContact N-O 2.87Å; V56-A67 PolarHBondContact O-N 3.17Å; A67-I81 HydrophobicContact CB-CG2 4.01Å; A67-K84 HydrophobicContact CB-CB 4.24Å; A67-L85 HydrophobicContact CB-CD2 3.73Å; A67-L85 HydrophobicContact CB-CG 3.87Å
68E91.3Very high86.7Confident73 Ų7362.3 Ų62.334%0.34131%0.308SS..EExtended strand (participates in β ladder)trans-124.2135.3173.9-56.2-175.2-166.400108.7K53 I54 E55 R66 K84K53-E68 WeakPolarHBondContact CE-OE2 3.41Å; K53-E68 IonicContact NZ-OE2 3.52Å; K53-E68 PolarHBondContact NZ-OE2 3.41Å; I54-E68 WeakPolarHBondContact O-CA 3.49Å; E55-E68 HydrophobicContact CB-CG 4.29Å; E55-E68 HydrophobicContact CG-CB 4.43Å; E55-E68 HydrophobicContact CG-CG 3.9Å; R66-E68 IonicContact CZ-OE1 3.34Å; R66-E68 IonicContact NE-OE1 2.67Å; R66-E68 PolarHBondContact NE-OE1 3Å; R66-E68 IonicContact NH2-OE1 2.72Å; R66-E68 PolarHBondContact NH2-OE1 3.35Å; E68-K84 PolarHBondContact O-NZ 3.45Å
69E90.5Very high86.9Confident36 Ų3664.5 Ų64.517%0.16832%0.32CS..EExtended strand (participates in β ladder)trans-134.6148.4170.2-72.4-69.7-16700111.6K53 I54 L80 I81 K84K53-E69 WeakPolarHBondContact CA-O 3.4Å; I54-E69 PolarHBondContact N-O 3.01Å; I54-E69 PolarHBondContact O-N 3.37Å; E69-L80 HydrophobicContact CG-CB 4.04Å; E69-I81 HydrophobicContact CB-CD1 4.03Å; E69-I81 HydrophobicContact CB-CG1 3.75Å; E69-I81 HydrophobicContact CG-CD1 4.3Å; E69-I81 HydrophobicContact CG-CG1 3.47Å; E69-I81 VanDerWaalsContact CG-CG1 3.47Å; E69-K84 HydrophobicContact CG-CD 4.14Å; E69-K84 WeakPolarHBondContact OE1-CD 3.27Å; E69-K84 WeakPolarHBondContact OE1-CE 3.31Å; E69-K84 IonicContact OE1-NZ 2.64Å; E69-K84 PolarHBondContact OE1-NZ 2.91Å; E69-K84 IonicContact OE2-NZ 2.87Å; E69-K84 PolarHBondContact OE2-NZ 2.87Å
70R88.8Confident87.3Confident150 Ų15065.4 Ų65.457%0.56632%0.321SS*.EExtended strand (participates in β ladder)trans-116.8121.1167.7-72.1-178.4170.8171.3-4107.6Y47 T52 K53Y47-R70 PolarHBondContact OH-NH2 3.35Å; T52-R70 WeakPolarHBondContact O-CA 3.39Å; K53-R70 HydrophobicContact CB-CG 4.02Å; K53-R70 HydrophobicContact CD-CG 4.39Å; K53-R70 HydrophobicContact CG-CG 3.88Å
71N88Confident87.8Confident43 Ų4364.2 Ų64.223%0.2332%0.315CS..EExtended strand (participates in β ladder)trans-146.1151.9177.3-158.2-17.4000109.6T52 A76T52-N71 WeakPolarHBondContact CA-O 3.48Å; T52-N71 PolarHBondContact N-O 2.88Å; T52-N71 PolarHBondContact O-N 3.44Å; N71-A76 WeakPolarHBondContact ND2-CB 3.28Å
72D86.4Confident88.4Confident112 Ų11255.8 Ų55.860%0.59928%0.279SS*.SBendtrans-71.1-36.6176.4-62.3-30.2000110.6
73D87.2Confident89.1Confident76 Ų7654.2 Ų54.241%0.40627%0.27SS..SBendtrans-96.1127.9173.7178.730.4000112.2Y75 A76 G77D73-Y75 PolarHBondContact OD1-N 3.33Å; D73-A76 HydrophobicContact CB-CB 4.07Å; D73-A76 WeakPolarHBondContact OD2-CB 3.38Å; D73-A76 PolarHBondContact OD2-N 3.18Å; D73-A76 VanDerWaalsContact OD2-N 3.11Å; D73-G77 PolarHBondContact O-N 3.49Å
74L84.6Confident89.6Confident17 Ų1756.3 Ų56.39%0.08928%0.276CS..Hα-helixtrans-64.1-43.4178.7-176.577.5000111.4I17 V44 T52 I54 G77 I78I17-L74 HydrophobicContact CB-CD2 4.4Å; I17-L74 HydrophobicContact CD1-CD2 3.6Å; I17-L74 HydrophobicContact CG1-CD2 3.74Å; I17-L74 HydrophobicContact CG2-CD2 3.75Å; V44-L74 HydrophobicContact CG1-CD1 3.6Å; V44-L74 HydrophobicContact CG2-CD1 4.3Å; T52-L74 HydrophobicContact CG2-CD1 3.76Å; I54-L74 HydrophobicContact CD1-CD1 3.58Å; I54-L74 HydrophobicContact CD1-CG 4.32Å; I54-L74 WeakPolarHBondContact CD1-O 3.38Å; I54-L74 HydrophobicContact CG1-CD1 3.85Å; L74-G77 PolarHBondContact O-N 2.9Å; L74-I78 HydrophobicContact CG-CD1 4.16Å; L74-I78 WeakPolarHBondContact O-CG1 3.45Å; L74-I78 PolarHBondContact O-N 2.81Å
75Y89Confident89.7Confident94 Ų9451.5 Ų51.537%0.36925%0.247SC..Hα-helixtrans-67.9-47.3-175.6-66.7-83.6000111.1Y20 D73 G77 I78 D79Y20-Y75 AromaticContact CD1-CD1 3.6Å; Y20-Y75 HydrophobicContact CD1-CD1 3.6Å; Y20-Y75 HydrophobicContact CD1-CE1 4.18Å; Y20-Y75 HydrophobicContact CD2-CD1 4.01Å; Y20-Y75 HydrophobicContact CD2-CE1 4.23Å; Y20-Y75 AromaticContact CE1-CD1 3.7Å; Y20-Y75 HydrophobicContact CE1-CD1 3.7Å; Y20-Y75 HydrophobicContact CE1-CG 4.44Å; Y20-Y75 HydrophobicContact CE2-CD1 4.09Å; Y20-Y75 AromaticContact CG-CD1 3.75Å; Y20-Y75 HydrophobicContact CG-CD1 3.75Å; Y20-Y75 AromaticContact CG-CE1 3.94Å; Y20-Y75 HydrophobicContact CG-CE1 3.94Å; Y20-Y75 AromaticContact CZ-CD1 3.94Å; D73-Y75 PolarHBondContact OD1-N 3.33Å; Y75-G77 VanDerWaalsContact C-N 3.27Å; Y75-G77 PolarHBondContact O-N 2.88Å; Y75-I78 PolarHBondContact O-N 2.82Å; Y75-D79 PolarHBondContact O-N 2.8Å; Y75-D79 VanDerWaalsContact O-N 3.13Å
76A90.4Very high89.8Confident35 Ų3553.1 Ų53.129%0.28925%0.254SS..Hα-helixtrans-59.3-38.7172.300000112.2N71 D73 I78 D79 L80N71-A76 WeakPolarHBondContact ND2-CB 3.28Å; D73-A76 HydrophobicContact CB-CB 4.07Å; D73-A76 WeakPolarHBondContact OD2-CB 3.38Å; D73-A76 PolarHBondContact OD2-N 3.18Å; D73-A76 VanDerWaalsContact OD2-N 3.11Å; A76-I78 PolarHBondContact O-N 2.93Å; A76-D79 PolarHBondContact O-N 2.91Å; A76-L80 WeakPolarHBondContact O-CG 3.38Å; A76-L80 PolarHBondContact O-N 2.78Å
77G89.7Confident89.7Confident0 Ų055.3 Ų55.30%026%0.262CS..Hα-helixtrans-59.5-43.1174.200000113.3D73 L74 Y75 L80 I81D73-G77 PolarHBondContact O-N 3.49Å; L74-G77 PolarHBondContact O-N 2.9Å; Y75-G77 VanDerWaalsContact C-N 3.27Å; Y75-G77 PolarHBondContact O-N 2.88Å; G77-L80 PolarHBondContact O-N 2.92Å; G77-I81 WeakPolarHBondContact O-CG1 3.44Å; G77-I81 PolarHBondContact O-N 2.74Å
78I89.7Confident89.4Confident6 Ų658.4 Ų58.43%0.03128%0.276CS..Hα-helixtrans-63.9-41.2177.3-66.9164.3000111Y20 I21 K24 I54 L74 Y75 A76 I81 N82Y20-I78 HydrophobicContact CD1-CB 4.22Å; Y20-I78 HydrophobicContact CD1-CD1 3.74Å; Y20-I78 HydrophobicContact CD1-CG2 3.95Å; Y20-I78 HydrophobicContact CE1-CB 4.02Å; Y20-I78 HydrophobicContact CE1-CD1 4.29Å; Y20-I78 HydrophobicContact CE1-CG2 3.92Å; I21-I78 HydrophobicContact CD1-CD1 4.25Å; I21-I78 HydrophobicContact CG1-CD1 3.62Å; I21-I78 HydrophobicContact CG1-CG1 4.31Å; K24-I78 HydrophobicContact CB-CG2 4.06Å; K24-I78 HydrophobicContact CG-CG2 4.26Å; I54-I78 HydrophobicContact CD1-CG1 3.89Å; L74-I78 HydrophobicContact CG-CD1 4.16Å; L74-I78 WeakPolarHBondContact O-CG1 3.45Å; L74-I78 PolarHBondContact O-N 2.81Å; Y75-I78 PolarHBondContact O-N 2.82Å; A76-I78 PolarHBondContact O-N 2.93Å; I78-I81 PolarHBondContact O-N 3.4Å; I78-N82 PolarHBondContact O-N 2.7Å
79D91.4Very high89.1Confident47 Ų4755.2 Ų55.225%0.25126%0.261SS..Hα-helixtrans-65.4-42.2178.5-73.9-32.1000112.3Y20 K24 Y75 A76 I81 N82 N83Y20-D79 PolarHBondContact OH-OD1 2.94Å; Y20-D79 PolarHBondContact OH-OD2 2.83Å; K24-D79 WeakPolarHBondContact CD-OD1 3.44Å; K24-D79 WeakPolarHBondContact CE-OD1 3.27Å; K24-D79 IonicContact NZ-OD1 2.7Å; K24-D79 PolarHBondContact NZ-OD1 3.01Å; K24-D79 IonicContact NZ-OD2 3.55Å; Y75-D79 PolarHBondContact O-N 2.8Å; Y75-D79 VanDerWaalsContact O-N 3.13Å; A76-D79 PolarHBondContact O-N 2.91Å; D79-I81 VanDerWaalsContact C-N 3.33Å; D79-I81 PolarHBondContact O-N 2.94Å; D79-N82 PolarHBondContact O-N 2.99Å; D79-N83 PolarHBondContact O-N 2.98Å; D79-N83 PolarHBondContact O-ND2 3.4Å
80L92.4Very high88.8Confident75 Ų7560.3 Ų60.339%0.39328%0.279SS..Hα-helixtrans-62.1-41.3174.4-69.6174.6000112E69 A76 G77 N83 K84E69-L80 HydrophobicContact CG-CB 4.04Å; A76-L80 WeakPolarHBondContact O-CG 3.38Å; A76-L80 PolarHBondContact O-N 2.78Å; G77-L80 PolarHBondContact O-N 2.92Å; L80-N83 PolarHBondContact O-N 3.17Å; L80-K84 PolarHBondContact O-N 3.06Å
81I91.5Very high88.5Confident2 Ų257.3 Ų57.31%0.0127%0.27CS..Hα-helixtrans-62.4-44.6175.1-74.8175.6000111.2I54 V56 A67 E69 G77 I78 D79 N83 K84 L85I54-I81 HydrophobicContact CB-CD1 3.45Å; I54-I81 VanDerWaalsContact CB-CD1 3.45Å; I54-I81 HydrophobicContact CG2-CD1 3.36Å; I54-I81 WeakPolarHBondContact O-CD1 3.33Å; V56-I81 HydrophobicContact CB-CG2 3.99Å; V56-I81 HydrophobicContact CG2-CD1 4.26Å; V56-I81 HydrophobicContact CG2-CG2 3.71Å; A67-I81 HydrophobicContact CB-CG2 4.01Å; E69-I81 HydrophobicContact CB-CD1 4.03Å; E69-I81 HydrophobicContact CB-CG1 3.75Å; E69-I81 HydrophobicContact CG-CD1 4.3Å; E69-I81 HydrophobicContact CG-CG1 3.47Å; E69-I81 VanDerWaalsContact CG-CG1 3.47Å; G77-I81 WeakPolarHBondContact O-CG1 3.44Å; G77-I81 PolarHBondContact O-N 2.74Å; I78-I81 PolarHBondContact O-N 3.4Å; D79-I81 VanDerWaalsContact C-N 3.33Å; D79-I81 PolarHBondContact O-N 2.94Å; I81-N83 VanDerWaalsContact C-N 3.31Å; I81-N83 PolarHBondContact O-N 3.35Å; I81-K84 WeakPolarHBondContact O-CB 3.47Å; I81-K84 PolarHBondContact O-N 3.3Å; I81-K84 VanDerWaalsContact O-N 3.17Å; I81-L85 HydrophobicContact CG2-CD1 3.81Å; I81-L85 HydrophobicContact CG2-CG 4.21Å; I81-L85 WeakPolarHBondContact O-CG 3.21Å; I81-L85 PolarHBondContact O-N 3.08Å
82N90.7Very high88.3Confident17 Ų1758.8 Ų58.89%0.09127%0.273CS..Hα-helixtrans-58.4-45.2177.9-177.148.4000111.2K24 I78 D79 K84 L85 E86K24-N82 PolarHBondContact O-OD1 3.44Å; I78-N82 PolarHBondContact O-N 2.7Å; D79-N82 PolarHBondContact O-N 2.99Å; N82-K84 PolarHBondContact O-N 3.02Å; N82-L85 PolarHBondContact O-N 2.9Å; N82-E86 WeakPolarHBondContact O-CB 3.35Å; N82-E86 PolarHBondContact O-N 2.92Å
83N91.8Very high87.9Confident91 Ų9157 Ų5749%0.48726%0.26SS..Hα-helixtrans-61.7-41.5176.1-67.6-24.1000112.3D79 L80 I81 E86 R87D79-N83 PolarHBondContact O-N 2.98Å; D79-N83 PolarHBondContact O-ND2 3.4Å; L80-N83 PolarHBondContact O-N 3.17Å; I81-N83 VanDerWaalsContact C-N 3.31Å; I81-N83 PolarHBondContact O-N 3.35Å; N83-E86 PolarHBondContact O-N 3.42Å; N83-R87 WeakPolarHBondContact O-CB 3.36Å; N83-R87 PolarHBondContact O-N 3.2Å
84K91.6Very high87.5Confident87 Ų8756.5 Ų56.538%0.37826%0.26SS..Hα-helixtrans-62.2-46.2175.3-82.4-177.2164.91700112A67 E68 E69 L80 I81 N82 R87 Q88A67-K84 HydrophobicContact CB-CB 4.24Å; E68-K84 PolarHBondContact O-NZ 3.45Å; E69-K84 HydrophobicContact CG-CD 4.14Å; E69-K84 WeakPolarHBondContact OE1-CD 3.27Å; E69-K84 WeakPolarHBondContact OE1-CE 3.31Å; E69-K84 IonicContact OE1-NZ 2.64Å; E69-K84 PolarHBondContact OE1-NZ 2.91Å; E69-K84 IonicContact OE2-NZ 2.87Å; E69-K84 PolarHBondContact OE2-NZ 2.87Å; L80-K84 PolarHBondContact O-N 3.06Å; I81-K84 WeakPolarHBondContact O-CB 3.47Å; I81-K84 PolarHBondContact O-N 3.3Å; I81-K84 VanDerWaalsContact O-N 3.17Å; N82-K84 PolarHBondContact O-N 3.02Å; K84-R87 PolarHBondContact O-N 3Å; K84-Q88 WeakPolarHBondContact O-CG 3.44Å; K84-Q88 PolarHBondContact O-N 3.01Å
85L89.2Confident87.1Confident0 Ų063.6 Ų63.60%029%0.285CS..Hα-helixtrans-65-42.8178.5-71174.1000111.2L28 V56 I58 L65 A67 I81 N82 R87 Q88 V89L28-L85 HydrophobicContact CD1-CB 3.65Å; L28-L85 HydrophobicContact CD1-CD1 3.78Å; L28-L85 HydrophobicContact CD1-CG 4.36Å; V56-L85 HydrophobicContact CB-CD1 4.37Å; V56-L85 HydrophobicContact CG1-CD1 3.93Å; I58-L85 HydrophobicContact CD1-CD1 4.42Å; L65-L85 HydrophobicContact CB-CD2 4.05Å; A67-L85 HydrophobicContact CB-CD2 3.73Å; A67-L85 HydrophobicContact CB-CG 3.87Å; I81-L85 HydrophobicContact CG2-CD1 3.81Å; I81-L85 HydrophobicContact CG2-CG 4.21Å; I81-L85 WeakPolarHBondContact O-CG 3.21Å; I81-L85 PolarHBondContact O-N 3.08Å; N82-L85 PolarHBondContact O-N 2.9Å; L85-R87 VanDerWaalsContact C-N 3.32Å; L85-R87 PolarHBondContact O-N 3.34Å; L85-Q88 WeakPolarHBondContact O-CB 3.13Å; L85-Q88 PolarHBondContact O-N 2.9Å; L85-Q88 VanDerWaalsContact O-N 3.17Å; L85-V89 WeakPolarHBondContact O-CG2 3.39Å; L85-V89 PolarHBondContact O-N 2.88Å
86E88.4Confident86.3Confident40 Ų4062.7 Ų62.719%0.18729%0.286CS..Hα-helixtrans-59.4-43.6175.4-174176.2-173.100111.4L28 Y31 N82 N83 Q88 V89 R90L28-E86 HydrophobicContact CD2-CB 4.19Å; Y31-E86 HydrophobicContact CE2-CG 4.13Å; Y31-E86 PolarHBondContact OH-OE1 2.95Å; N82-E86 WeakPolarHBondContact O-CB 3.35Å; N82-E86 PolarHBondContact O-N 2.92Å; N83-E86 PolarHBondContact O-N 3.42Å; E86-Q88 PolarHBondContact O-N 2.97Å; E86-V89 PolarHBondContact O-N 3.46Å; E86-R90 WeakPolarHBondContact O-CG 3.33Å; E86-R90 PolarHBondContact O-N 2.85Å; E86-R90 IonicContact OE1-CZ 3.44Å; E86-R90 IonicContact OE1-NE 3.44Å; E86-R90 PolarHBondContact OE1-NE 2.84Å; E86-R90 IonicContact OE1-NH2 2.71Å; E86-R90 PolarHBondContact OE1-NH2 2.8Å
87R88.4Confident85.4Confident157 Ų15766.3 Ų66.359%0.59230%0.301SS*.Hα-helixtrans-60.9-42.4175.2-173.5173.1179.8145.9-2.1111.9N83 K84 L85 R90 K91N83-R87 WeakPolarHBondContact O-CB 3.36Å; N83-R87 PolarHBondContact O-N 3.2Å; K84-R87 PolarHBondContact O-N 3Å; L85-R87 VanDerWaalsContact C-N 3.32Å; L85-R87 PolarHBondContact O-N 3.34Å; R87-R90 PolarHBondContact O-N 2.88Å; R87-K91 WeakPolarHBondContact O-CG 2.8Å; R87-K91 PolarHBondContact O-N 3.32Å
88Q87.3Confident84.4Confident69 Ų6971.3 Ų71.332%0.32232%0.319SS..Hα-helixtrans-62.5-43176-72.5180-5.400111.8L65 R66 K84 L85 E86 K91 Y92L65-Q88 HydrophobicContact CD2-CB 3.97Å; R66-Q88 PolarHBondContact O-NE2 3.35Å; K84-Q88 WeakPolarHBondContact O-CG 3.44Å; K84-Q88 PolarHBondContact O-N 3.01Å; L85-Q88 WeakPolarHBondContact O-CB 3.13Å; L85-Q88 PolarHBondContact O-N 2.9Å; L85-Q88 VanDerWaalsContact O-N 3.17Å; E86-Q88 PolarHBondContact O-N 2.97Å; Q88-K91 PolarHBondContact O-N 3.47Å; Q88-Y92 PolarHBondContact O-N 2.91Å
89V84.5Confident83Confident5 Ų577.6 Ų77.63%0.0335%0.347CS..Hα-helixtrans-62.5-44.4176.8170.60000111.3Y31 F32 L65 L85 E86 Y92 K93Y31-V89 HydrophobicContact CD1-CG1 4.06Å; Y31-V89 HydrophobicContact CD2-CG1 4.18Å; Y31-V89 HydrophobicContact CG-CG1 3.67Å; F32-V89 HydrophobicContact CE1-CG2 4.19Å; F32-V89 HydrophobicContact CZ-CG2 3.82Å; L65-V89 HydrophobicContact CD1-CG2 3.64Å; L85-V89 WeakPolarHBondContact O-CG2 3.39Å; L85-V89 PolarHBondContact O-N 2.88Å; E86-V89 PolarHBondContact O-N 3.46Å; V89-Y92 PolarHBondContact O-N 3.32Å; V89-K93 WeakPolarHBondContact O-CG 3.43Å; V89-K93 PolarHBondContact O-N 3.18Å
90R84.1Confident81.5Confident144 Ų14479.9 Ų79.954%0.54337%0.366SS..Hα-helixtrans-59.6-48.2175.4-71178.5-174.7-169.94.9111.3E86 R87 Y92 K93 T94E86-R90 WeakPolarHBondContact O-CG 3.33Å; E86-R90 PolarHBondContact O-N 2.85Å; E86-R90 IonicContact OE1-CZ 3.44Å; E86-R90 IonicContact OE1-NE 3.44Å; E86-R90 PolarHBondContact OE1-NE 2.84Å; E86-R90 IonicContact OE1-NH2 2.71Å; E86-R90 PolarHBondContact OE1-NH2 2.8Å; R87-R90 PolarHBondContact O-N 2.88Å; R90-Y92 VanDerWaalsContact C-N 3.3Å; R90-Y92 PolarHBondContact O-N 2.91Å; R90-K93 PolarHBondContact O-N 3.19Å; R90-T94 PolarHBondContact O-N 3.05Å; R90-T94 PolarHBondContact O-OG1 3.44Å; R90-T94 VanDerWaalsContact O-OG1 3.11Å
91K83Confident79.9Confident86 Ų8684.5 Ų84.537%0.37438%0.378SS..Hα-helixtrans-57.2-42.6176-75-169.2175.1-148.50112.1R87 Q88 R95 N129R87-K91 WeakPolarHBondContact O-CG 2.8Å; R87-K91 PolarHBondContact O-N 3.32Å; Q88-K91 PolarHBondContact O-N 3.47Å; K91-R95 WeakPolarHBondContact O-CB 3.46Å; K91-R95 PolarHBondContact O-N 3.39Å; K91-N129 WeakPolarHBondContact CE-OD1 3.45Å; K91-N129 PolarHBondContact NZ-OD1 3.34Å
92Y82.6Confident78.3Confident74 Ų7489.2 Ų89.229%0.2940%0.403SS..Hα-helixtrans-65.1-45.2178.4-178.6-120.7000112.6V63 Q88 V89 R90 R95 I96V63-Y92 HydrophobicContact CB-CE2 4.42Å; V63-Y92 HydrophobicContact CG2-CD2 3.69Å; V63-Y92 HydrophobicContact CG2-CE1 4.3Å; V63-Y92 HydrophobicContact CG2-CE2 3.23Å; V63-Y92 HydrophobicContact CG2-CG 4.4Å; Q88-Y92 PolarHBondContact O-N 2.91Å; V89-Y92 PolarHBondContact O-N 3.32Å; R90-Y92 VanDerWaalsContact C-N 3.3Å; R90-Y92 PolarHBondContact O-N 2.91Å; Y92-R95 PolarHBondContact O-N 3.48Å; Y92-I96 HydrophobicContact CD1-CD1 3.68Å; Y92-I96 HydrophobicContact CD2-CD1 4.21Å; Y92-I96 HydrophobicContact CD2-CG1 4.36Å; Y92-I96 HydrophobicContact CE1-CD1 3.19Å; Y92-I96 HydrophobicContact CE1-CG1 4.26Å; Y92-I96 HydrophobicContact CE2-CD1 3.75Å; Y92-I96 HydrophobicContact CE2-CG1 3.93Å; Y92-I96 HydrophobicContact CG-CD1 4.18Å; Y92-I96 WeakPolarHBondContact O-CG1 3.42Å; Y92-I96 PolarHBondContact O-N 3.28Å
93K79.4Confident76.6Confident76 Ų7698.5 Ų98.533%0.3344%0.437SS..Hα-helixtrans-62.4-43.5177.1-71.6-168.2179.3-160.70111.9Y31 V89 R90 R95 I96 N97Y31-K93 WeakPolarHBondContact O-CE 3.44Å; Y31-K93 PolarHBondContact O-NZ 2.9Å; V89-K93 WeakPolarHBondContact O-CG 3.43Å; V89-K93 PolarHBondContact O-N 3.18Å; R90-K93 PolarHBondContact O-N 3.19Å; K93-R95 VanDerWaalsContact C-N 3.3Å; K93-R95 PolarHBondContact O-N 2.94Å; K93-I96 PolarHBondContact O-N 3.2Å; K93-N97 WeakPolarHBondContact O-CB 3.28Å; K93-N97 VanDerWaalsContact O-CG 3.26Å; K93-N97 PolarHBondContact O-N 3.04Å
94T78.7Confident74.5Confident64 Ų6496.9 Ų96.939%0.39344%0.442SS..Hα-helixtrans-59.3-42.1174.9-55.90000111.3R90 N97 R98R90-T94 PolarHBondContact O-N 3.05Å; R90-T94 PolarHBondContact O-OG1 3.44Å; R90-T94 VanDerWaalsContact O-OG1 3.11Å; T94-N97 PolarHBondContact O-N 3.38Å; T94-R98 HydrophobicContact CG2-CG 4.47Å; T94-R98 WeakPolarHBondContact O-CB 3.48Å; T94-R98 WeakPolarHBondContact O-CG 3.44Å; T94-R98 PolarHBondContact O-N 2.85Å
95R74.3Confident72.4Confident166 Ų16696.6 Ų96.663%0.62645%0.445SS*.Hα-helixtrans-67-40.6178.9-165.6175.4-172.7177.53.3113.1K91 Y92 K93 K99K91-R95 WeakPolarHBondContact O-CB 3.46Å; K91-R95 PolarHBondContact O-N 3.39Å; Y92-R95 PolarHBondContact O-N 3.48Å; K93-R95 VanDerWaalsContact C-N 3.3Å; K93-R95 PolarHBondContact O-N 2.94Å; R95-K99 WeakPolarHBondContact O-CB 3.32Å; R95-K99 PolarHBondContact O-N 2.98Å
96I72.3Confident70.5Confident76 Ų76103.1 Ų103.139%0.3948%0.475SS..Hα-helixtrans-63.2-47.1175-69.4165.1000110.4Y92 K93 R98 K99 S100Y92-I96 HydrophobicContact CD1-CD1 3.68Å; Y92-I96 HydrophobicContact CD2-CD1 4.21Å; Y92-I96 HydrophobicContact CD2-CG1 4.36Å; Y92-I96 HydrophobicContact CE1-CD1 3.19Å; Y92-I96 HydrophobicContact CE1-CG1 4.26Å; Y92-I96 HydrophobicContact CE2-CD1 3.75Å; Y92-I96 HydrophobicContact CE2-CG1 3.93Å; Y92-I96 HydrophobicContact CG-CD1 4.18Å; Y92-I96 WeakPolarHBondContact O-CG1 3.42Å; Y92-I96 PolarHBondContact O-N 3.28Å; K93-I96 PolarHBondContact O-N 3.2Å; I96-R98 PolarHBondContact O-N 3.13Å; I96-K99 PolarHBondContact O-N 3.38Å; I96-S100 PolarHBondContact O-N 3.02Å
97N71.4Confident68.5Low111 Ų111110.2 Ų110.259%0.59451%0.509SS*.Hα-helixtrans-64.3-40.8-178.8-68.8-10.8000111.5K93 T94 S100 R101K93-N97 WeakPolarHBondContact O-CB 3.28Å; K93-N97 VanDerWaalsContact O-CG 3.26Å; K93-N97 PolarHBondContact O-N 3.04Å; T94-N97 PolarHBondContact O-N 3.38Å; N97-S100 PolarHBondContact O-N 3.43Å; N97-R101 PolarHBondContact O-N 2.64Å; N97-R101 VanDerWaalsContact O-N 3.15Å
98R69Low66.5Low104 Ų104107 Ų10739%0.39251%0.506SS..Hα-helixtrans-62.1-45.6173.2-74.3-172.3-174.8-175.76.2111.6T94 I96 S100 R101 D102 D127 E130T94-R98 HydrophobicContact CG2-CG 4.47Å; T94-R98 WeakPolarHBondContact O-CB 3.48Å; T94-R98 WeakPolarHBondContact O-CG 3.44Å; T94-R98 PolarHBondContact O-N 2.85Å; I96-R98 PolarHBondContact O-N 3.13Å; R98-S100 VanDerWaalsContact C-N 3.28Å; R98-S100 PolarHBondContact O-N 3.33Å; R98-R101 PolarHBondContact O-N 3.25Å; R98-D102 WeakPolarHBondContact O-CB 3.47Å; R98-D102 PolarHBondContact O-N 2.87Å; R98-D127 IonicContact CZ-OD2 3.56Å; R98-D127 IonicContact NH1-OD2 3.24Å; R98-D127 PolarHBondContact NH1-OD2 3.32Å; R98-D127 IonicContact NH2-OD1 3.69Å; R98-D127 IonicContact NH2-OD2 2.86Å; R98-D127 PolarHBondContact NH2-OD2 3.49Å; R98-E130 IonicContact NH1-OE1 2.98Å; R98-E130 PolarHBondContact NH1-OE1 3.19Å
99K62Low64.4Low139 Ų139110.1 Ų110.160%0.60452%0.519SS*.Hα-helixtrans-64.8-30.2179.3-168.3173.6-176.9177.60113.2R95 I96 R101 R103R95-K99 WeakPolarHBondContact O-CB 3.32Å; R95-K99 PolarHBondContact O-N 2.98Å; I96-K99 PolarHBondContact O-N 3.38Å; K99-R101 VanDerWaalsContact C-N 3.35Å; K99-R103 PolarHBondContact O-N 2.98Å
100S59.2Low62.7Low94 Ų94115 Ų11566%0.65755%0.549SS*.Hα-helixtrans-72.6-29.3172.9-159.20000112.3I96 N97 R98I96-S100 PolarHBondContact O-N 3.02Å; N97-S100 PolarHBondContact O-N 3.43Å; R98-S100 VanDerWaalsContact C-N 3.28Å; R98-S100 PolarHBondContact O-N 3.33Å
101R57.7Low60.8Low173 Ų173111.7 Ų111.765%0.65355%0.552SS**Hα-helixtrans-81.7-38.9178.2-156.9173.4-175.4-177.3-0.8112.5N97 R98 K99 R103 G104 D105N97-R101 PolarHBondContact O-N 2.64Å; N97-R101 VanDerWaalsContact O-N 3.15Å; R98-R101 PolarHBondContact O-N 3.25Å; K99-R101 VanDerWaalsContact C-N 3.35Å; R101-R103 PolarHBondContact O-N 2.67Å; R101-G104 PolarHBondContact O-N 2.88Å; R101-D105 PolarHBondContact O-N 3.04Å; R101-D105 VanDerWaalsContact O-N 3.08Å
102D58.7Low59Low100 Ų100113.6 Ų113.654%0.53556%0.562SS.*Hα-helixtrans-69.8-17.7178.3-159.828.1000112.8R98 Q106R98-D102 WeakPolarHBondContact O-CB 3.47Å; R98-D102 PolarHBondContact O-N 2.87Å; D102-Q106 WeakPolarHBondContact OD1-CG 3.47Å; D102-Q106 PolarHBondContact OD1-NE2 3.21Å
103R55.3Low57.5Low212 Ų212114.5 Ų114.580%0.857%0.572SS**THydrogen-bonded Turntrans-84.7-12.4169.8-88.7-177.4174.7176.5-4.5114.6K99 R101K99-R103 PolarHBondContact O-N 2.98Å; R101-R103 PolarHBondContact O-N 2.67Å
104G46.8Very low55.9Low58 Ų58118.1 Ų118.160%0.59859%0.59SS**THydrogen-bonded Turntrans-110.1-29.4-175.900000114.8R101R101-G104 PolarHBondContact O-N 2.88Å
105D47.9Very low54.2Low81 Ų81123.3 Ų123.343%0.43361%0.609SS.*  trans-127.421.9-162.3-71.9-22.7000115.2R101 E107 V108R101-D105 PolarHBondContact O-N 3.04Å; R101-D105 VanDerWaalsContact O-N 3.08Å; D105-E107 PolarHBondContact O-N 2.83Å; D105-E107 VanDerWaalsContact O-N 3.1Å; D105-V108 PolarHBondContact O-N 2.86Å
106Q49Very low52.8Low136 Ų136122.5 Ų122.564%0.63662%0.615SS**THydrogen-bonded Turntrans-65.8-9178.3-88.9-175.5-5.600114.8D102D102-Q106 WeakPolarHBondContact OD1-CG 3.47Å; D102-Q106 PolarHBondContact OD1-NE2 3.21Å
107E47.3Very low51.2Low190 Ų190126.7 Ų126.789%0.88863%0.632SS**THydrogen-bonded Turntrans-97.4-14.9177-71.3-172.2159.900114.8D105D105-E107 PolarHBondContact O-N 2.83Å; D105-E107 VanDerWaalsContact O-N 3.1Å
108V46.3Very low49.7Very low90 Ų90130.4 Ų130.455%0.54565%0.646SS.*THydrogen-bonded Turntrans-107.5-26-171.2-1680000113.1D105 V110D105-V108 PolarHBondContact O-N 2.86Å; V108-V110 PolarHBondContact O-N 2.92Å
109F42.9Very low48.2Very low133 Ų133131.9 Ų131.958%0.58367%0.667SS**Hα-helixtrans-79.4-19.1-171.8-156.9-120000114.9L113F109-L113 HydrophobicContact CD1-CD1 3.45Å; F109-L113 VanDerWaalsContact CD1-CD1 3.45Å; F109-L113 HydrophobicContact CD1-CG 4.13Å; F109-L113 HydrophobicContact CE1-CD1 3.29Å; F109-L113 HydrophobicContact CE1-CD2 4.12Å; F109-L113 HydrophobicContact CE1-CG 3.92Å; F109-L113 HydrophobicContact CE2-CD2 4.3Å; F109-L113 HydrophobicContact CE2-CG 4.32Å; F109-L113 HydrophobicContact CG-CD1 4.19Å; F109-L113 HydrophobicContact CG-CG 4.45Å; F109-L113 HydrophobicContact CZ-CD1 3.88Å; F109-L113 HydrophobicContact CZ-CD2 3.82Å; F109-L113 HydrophobicContact CZ-CG 3.99Å; F109-L113 WeakPolarHBondContact O-CD1 2.95Å; F109-L113 WeakPolarHBondContact O-CG 3.21Å
110V48.6Very low47Very low109 Ų109134.2 Ų134.266%0.66168%0.68SS**Hα-helixtrans-79.4-24.1-178.1-171.60000112.3V108V108-V110 PolarHBondContact O-N 2.92Å
111A45.2Very low45.9Very low73 Ų73135.9 Ų135.960%0.60369%0.686SS**Hα-helixtrans-85-29.6-178.400000113.7
112E44.3Very low44.7Very low127 Ų127135.1 Ų135.159%0.59370%0.695SS**Hα-helixtrans-94.4-18.4-173.4-157.3154.2-16900113.3Q114E112-Q114 VanDerWaalsContact C-N 3.32Å; E112-Q114 PolarHBondContact O-N 2.83Å
113L51.6Low43.6Very low93 Ų93137.3 Ų137.349%0.48771%0.706SS.*THydrogen-bonded Turntrans-74.8-15.7176.5-78.6178.3000114.7F109F109-L113 HydrophobicContact CD1-CD1 3.45Å; F109-L113 VanDerWaalsContact CD1-CD1 3.45Å; F109-L113 HydrophobicContact CD1-CG 4.13Å; F109-L113 HydrophobicContact CE1-CD1 3.29Å; F109-L113 HydrophobicContact CE1-CD2 4.12Å; F109-L113 HydrophobicContact CE1-CG 3.92Å; F109-L113 HydrophobicContact CE2-CD2 4.3Å; F109-L113 HydrophobicContact CE2-CG 4.32Å; F109-L113 HydrophobicContact CG-CD1 4.19Å; F109-L113 HydrophobicContact CG-CG 4.45Å; F109-L113 HydrophobicContact CZ-CD1 3.88Å; F109-L113 HydrophobicContact CZ-CD2 3.82Å; F109-L113 HydrophobicContact CZ-CG 3.99Å; F109-L113 WeakPolarHBondContact O-CD1 2.95Å; F109-L113 WeakPolarHBondContact O-CG 3.21Å
114Q44.9Very low42.5Very low152 Ų152135 Ų13571%0.7171%0.71SS**THydrogen-bonded Turntrans-81.9-16.6177.6-76.7-177.2-26.800113E112E112-Q114 VanDerWaalsContact C-N 3.32Å; E112-Q114 PolarHBondContact O-N 2.83Å
115E44.8Very low42.1Very low173 Ų173135.9 Ų135.981%0.80871%0.711SS**THydrogen-bonded Turntrans-103.5-9.8-175.2-69.6-173.2162.500114.7
116M43.3Very low41.9Very low149 Ų149141.8 Ų141.873%0.73473%0.729SS**  trans-101.513.7-177-61.8-170.580.700115.1E118M116-E118 PolarHBondContact O-N 2.92Å
117Q39.7Very low41.8Very low164 Ų164139 Ų13977%0.76672%0.719SS**THydrogen-bonded Turntrans-71.412.5-174.6-77.3-175.323.300116.4
118E39.9Very low42.2Very low189 Ų189135.9 Ų135.988%0.88371%0.708SS**THydrogen-bonded Turntrans-119.115.9-170.5-74.1-168.8160.300117M116M116-E118 PolarHBondContact O-N 2.92Å
119T38Very low42.8Very low135 Ų135135.3 Ų135.383%0.82870%0.702SS**  trans-128.6108.9176.3-27.50000114.7
120Q35.6Very low43.7Very low188 Ų188135.6 Ų135.688%0.87971%0.705SS**  trans-51.3131.5168.7-63173.7-39.800112.8
121V37.3Very low44.6Very low129 Ų129136.4 Ų136.478%0.78271%0.705SS**  trans-155.2125.7139.2-1690000109.4N123V121-N123 PolarHBondContact O-N 2.8Å
122D31.5Very low46.2Very low156 Ų156140.5 Ų140.583%0.83471%0.711SS**  trans-41.9123.1167.7-65.8-52.3000113.4
123N36Very low47.7Very low146 Ų146141.5 Ų141.578%0.78172%0.719SS**  trans-15692.3156.6-91.1-49.6000108.9V121 A125V121-N123 PolarHBondContact O-N 2.8Å; N123-A125 PolarHBondContact O-N 2.81Å
124D31.8Very low49.1Very low164 Ų164144 Ų14488%0.87773%0.731SS**  trans-65.267163.2-82.7-35.6000110.7
125A38.4Very low50.7Low76 Ų76145.9 Ų145.963%0.62873%0.732SS**  trans-117.983.1165.300000106.5N123 D127N123-A125 PolarHBondContact O-N 2.81Å; A125-D127 PolarHBondContact O-N 2.9Å
126Y43.7Very low52.5Low206 Ų206142.9 Ų142.981%0.80873%0.73SS**  trans-43.6112.1162-71.8-82.8000107.6D128Y126-D128 PolarHBondContact O-N 3.39Å
127D47.6Very low54.2Low78 Ų78140.9 Ų140.942%0.41772%0.717SS.*  trans-71.469.2172.9-165.717.7000108R98 A125 N129R98-D127 IonicContact CZ-OD2 3.56Å; R98-D127 IonicContact NH1-OD2 3.24Å; R98-D127 PolarHBondContact NH1-OD2 3.32Å; R98-D127 IonicContact NH2-OD1 3.69Å; R98-D127 IonicContact NH2-OD2 2.86Å; R98-D127 PolarHBondContact NH2-OD2 3.49Å; A125-D127 PolarHBondContact O-N 2.9Å; D127-N129 PolarHBondContact O-N 3.3Å; D127-N129 WeakPolarHBondContact OD1-CB 3.44Å; D127-N129 PolarHBondContact OD1-ND2 3.13Å
128D55Low56.1Low124 Ų124142.1 Ų142.166%0.66372%0.723SS**THydrogen-bonded Turntrans-70.328.9177.6-157.634000110.9Y126Y126-D128 PolarHBondContact O-N 3.39Å
129N59.1Low57.9Low78 Ų78139.9 Ų139.942%0.41771%0.711SS.*THydrogen-bonded Turntrans-122.1-7.1-173-53-58.6000113.4K91 D127K91-N129 WeakPolarHBondContact CE-OD1 3.45Å; K91-N129 PolarHBondContact NZ-OD1 3.34Å; D127-N129 PolarHBondContact O-N 3.3Å; D127-N129 WeakPolarHBondContact OD1-CB 3.44Å; D127-N129 PolarHBondContact OD1-ND2 3.13Å
130E61.2Low59.9Low139 Ų139138.3 Ų138.365%0.6571%0.705SS**  trans-86.8118.6168-63.1-160.1157.200109.8R98 E132R98-E130 IonicContact NH1-OE1 2.98Å; R98-E130 PolarHBondContact NH1-OE1 3.19Å; E130-E132 PolarHBondContact O-N 3.44Å; E130-E132 VanDerWaalsContact O-N 3.09Å
131I68.8Low62.3Low126 Ų126132.9 Ų132.965%0.64668%0.682SS**  trans-78.294.2173.2-58.6172.5000106.5I133I131-I133 PolarHBondContact O-N 2.8Å
132E77.3Confident64.6Low159 Ų159133.6 Ų133.674%0.74367%0.674SS**  trans-80.6112.8173.6-166.4178.8-179.500109.6E130 I134E130-E132 PolarHBondContact O-N 3.44Å; E130-E132 VanDerWaalsContact O-N 3.09Å; E132-I134 HydrophobicContact CB-CG1 4.48Å; E132-I134 HydrophobicContact CG-CG1 4.18Å; E132-I134 PolarHBondContact O-N 3.26Å; E132-I134 VanDerWaalsContact O-N 3.08Å
133I76.9Confident67.5Low147 Ų147130.4 Ų130.475%0.75466%0.662SS**  trans-79.791.7172-58.1175.8000107.5I131 R135I131-I133 PolarHBondContact O-N 2.8Å; I133-R135 VanDerWaalsContact C-N 3.33Å; I133-R135 PolarHBondContact O-N 3.35Å
134I81.5Confident70.2Confident146 Ų146124.1 Ų124.175%0.74963%0.628SS**  trans-69.6-31-176.2-60.2168.5000111.9E132E132-I134 HydrophobicContact CB-CG1 4.48Å; E132-I134 HydrophobicContact CG-CG1 4.18Å; E132-I134 PolarHBondContact O-N 3.26Å; E132-I134 VanDerWaalsContact O-N 3.08Å
135R77.9Confident73.1Confident191 Ų191119.9 Ų119.972%0.72161%0.606SS**  trans-150.8130.5-173.3-168.9172.8180160.62.4112.7I133I133-R135 VanDerWaalsContact C-N 3.33Å; I133-R135 PolarHBondContact O-N 3.35Å
136S82.6Confident75.7Confident110 Ų110118.3 Ų118.377%0.76959%0.59SS**  trans-103.3144.7165.156.90000110.2
137K78.3Confident78Confident107 Ų107115.7 Ų115.747%0.46559%0.585SS.*  trans-136.1135170-68.5-174-174.4175.10108F139K137-F139 HydrophobicContact CB-CD2 4.16Å; K137-F139 HydrophobicContact CB-CE2 3.44Å; K137-F139 VanDerWaalsContact CB-CE2 3.44Å; K137-F139 HydrophobicContact CB-CZ 3.79Å; K137-F139 HydrophobicContact CD-CE2 3.88Å; K137-F139 HydrophobicContact CD-CZ 3.49Å; K137-F139 VanDerWaalsContact CD-CZ 3.49Å; K137-F139 HydrophobicContact CG-CE2 4.34Å; K137-F139 HydrophobicContact CG-CZ 4.3Å
138E80.2Confident80.2Confident191 Ų191116.5 Ų116.589%0.89359%0.587SS**  trans-103.8133.4174.3-169.5174.9177.800108.8
139F76.7Confident82Confident141 Ų141110.6 Ų110.662%0.61856%0.555SS**  trans-132.3139.3-178.4-63.9-78.3000109.7K137K137-F139 HydrophobicContact CB-CD2 4.16Å; K137-F139 HydrophobicContact CB-CE2 3.44Å; K137-F139 VanDerWaalsContact CB-CE2 3.44Å; K137-F139 HydrophobicContact CB-CZ 3.79Å; K137-F139 HydrophobicContact CD-CE2 3.88Å; K137-F139 HydrophobicContact CD-CZ 3.49Å; K137-F139 VanDerWaalsContact CD-CZ 3.49Å; K137-F139 HydrophobicContact CG-CE2 4.34Å; K137-F139 HydrophobicContact CG-CZ 4.3Å
140S81.6Confident83.7Confident103 Ų103108.2 Ų108.272%0.7254%0.543SS*.PPolyproline II helixtrans-77.8123.3168.149.60000109.7K142S140-K142 PolarHBondContact O-N 3.07Å
141L84.9Confident85.2Confident73 Ų73106.5 Ų106.538%0.38254%0.538SS..PPolyproline II helixtrans-72.5117.7177.4-58.9177.6000108.9V162 T164 T171L141-V162 HydrophobicContact CD2-CB 4.16Å; L141-V162 HydrophobicContact CD2-CG1 3.69Å; L141-T164 VanDerWaalsContact CB-OG1 3.27Å; L141-T164 WeakPolarHBondContact CB-OG1 3.49Å; L141-T171 HydrophobicContact CD1-CG2 4.27Å
142K86.5Confident86.3Confident144 Ų144103.6 Ų103.663%0.62652%0.522SS*.PPolyproline II helixtrans-95136173.7-67.5-177.5-179.7179.80108.9S140 M144 T164S140-K142 PolarHBondContact O-N 3.07Å; K142-M144 HydrophobicContact CB-CE 3.88Å; K142-M144 PolarHBondContact O-N 2.98Å; K142-T164 PolarHBondContact O-N 3.48Å
143P91.9Very high87Confident89 Ų8996 Ų9658%0.57849%0.486SS*.EExtended strand (participates in β ladder)trans-67.3123.4174.127.4-32.2000109.6T164P143-T164 CarbonylContact C-O 3.55Å; P143-T164 VanDerWaalsContact CA-O 3.26Å; P143-T164 WeakPolarHBondContact CA-O 3.29Å
144M92.6Very high87.7Confident14 Ų1491.9 Ų91.97%0.06947%0.465CS..EExtended strand (participates in β ladder)trans-153169.2177.966.1-17472.900110.7K142 E148 A149 Q152 F161 F163 T164 R166K142-M144 HydrophobicContact CB-CE 3.88Å; K142-M144 PolarHBondContact O-N 2.98Å; M144-E148 HydrophobicContact CB-CB 4.16Å; M144-E148 HydrophobicContact CB-CG 4.13Å; M144-E148 WeakPolarHBondContact CB-OE2 3.26Å; M144-E148 HydrophobicContact SD-CG 4.26Å; M144-A149 HydrophobicContact CG-CB 4.29Å; M144-A149 HydrophobicContact SD-CB 3.99Å; M144-Q152 HydrophobicContact SD-CG 4.34Å; M144-F161 HydrophobicContact CE-CE1 4Å; M144-F161 HydrophobicContact CE-CZ 4.36Å; M144-F161 HydrophobicContact SD-CE1 3.73Å; M144-F163 HydrophobicContact CE-CB 4.35Å; M144-F163 HydrophobicContact CG-CB 3.82Å; M144-F163 HydrophobicContact CG-CD2 3.53Å; M144-F163 HydrophobicContact CG-CE2 4.41Å; M144-F163 HydrophobicContact CG-CG 3.95Å; M144-F163 WeakPolarHBondContact O-CD2 3.34Å; M144-F163 WeakPolarHBondContact O-CE2 3.34Å; M144-F163 HydrophobicContact SD-CB 4.02Å; M144-F163 HydrophobicContact SD-CG 4.48Å; M144-T164 PolarHBondContact N-O 2.79Å; M144-R166 PolarHBondContact O-N 2.99Å
145D93.1Very high88.2Confident75 Ų7591 Ų9140%0.40146%0.461SS..  trans-82.9158.7172.5-169.84.8000110.9E147 E148 A149D145-E147 VanDerWaalsContact C-N 3.28Å; D145-E147 PolarHBondContact O-N 3.23Å; D145-E148 WeakPolarHBondContact O-CB 3.35Å; D145-E148 PolarHBondContact O-N 3.11Å; D145-E148 VanDerWaalsContact O-N 3.13Å; D145-A149 PolarHBondContact O-N 2.9Å
146S92.4Very high88.8Confident43 Ų4386.2 Ų86.230%0.30145%0.45SS..Hα-helixtrans-51.4-40.9173.461.20000113.6A149 V150S146-A149 PolarHBondContact O-N 3Å; S146-V150 VanDerWaalsContact O-CG2 3.31Å; S146-V150 WeakPolarHBondContact O-CG2 3.44Å; S146-V150 PolarHBondContact O-N 3.25Å
147E92.8Very high89.1Confident151 Ų15183.6 Ų83.671%0.70644%0.44SS*.Hα-helixtrans-67.2-41177.1-64.6-168.2168.300112D145 A149 V150 L151D145-E147 VanDerWaalsContact C-N 3.28Å; D145-E147 PolarHBondContact O-N 3.23Å; E147-A149 VanDerWaalsContact C-N 3.34Å; E147-V150 WeakPolarHBondContact O-CB 3.49Å; E147-V150 PolarHBondContact O-N 2.82Å; E147-L151 PolarHBondContact O-N 3.14Å; E147-L151 VanDerWaalsContact O-N 3.08Å
148E93.3Very high89.6Confident96 Ų9681.7 Ų81.745%0.44943%0.433SS..Hα-helixtrans-65.7-40.5175.7-173.1175.8179.400110.7M144 D145 V150 L151 Q152M144-E148 HydrophobicContact CB-CB 4.16Å; M144-E148 HydrophobicContact CB-CG 4.13Å; M144-E148 WeakPolarHBondContact CB-OE2 3.26Å; M144-E148 HydrophobicContact SD-CG 4.26Å; D145-E148 WeakPolarHBondContact O-CB 3.35Å; D145-E148 PolarHBondContact O-N 3.11Å; D145-E148 VanDerWaalsContact O-N 3.13Å; E148-V150 VanDerWaalsContact C-N 3.34Å; E148-V150 PolarHBondContact O-N 2.81Å; E148-L151 WeakPolarHBondContact O-CB 3.49Å; E148-L151 PolarHBondContact O-N 2.83Å; E148-L151 VanDerWaalsContact O-N 3.16Å; E148-Q152 WeakPolarHBondContact O-CG 3.34Å; E148-Q152 PolarHBondContact O-N 2.67Å
149A92.9Very high90.1Very high0 Ų077.4 Ų77.40%042%0.416CS..Hα-helixtrans-60.3-41.1174.200000112.3M144 D145 S146 E147 L151 Q152 M153 F161 F163 V174M144-A149 HydrophobicContact CG-CB 4.29Å; M144-A149 HydrophobicContact SD-CB 3.99Å; D145-A149 PolarHBondContact O-N 2.9Å; S146-A149 PolarHBondContact O-N 3Å; E147-A149 VanDerWaalsContact C-N 3.34Å; A149-L151 VanDerWaalsContact C-N 3.34Å; A149-L151 PolarHBondContact O-N 2.77Å; A149-Q152 PolarHBondContact O-N 2.72Å; A149-M153 VanDerWaalsContact O-CB 3.29Å; A149-M153 WeakPolarHBondContact O-CB 3.17Å; A149-M153 PolarHBondContact O-N 2.88Å; A149-F161 HydrophobicContact CB-CD1 3.99Å; A149-F161 HydrophobicContact CB-CE1 4.46Å; A149-F163 HydrophobicContact CB-CB 4.43Å; A149-F163 HydrophobicContact CB-CD1 3.51Å; A149-F163 HydrophobicContact CB-CD2 4.05Å; A149-F163 HydrophobicContact CB-CE1 3.68Å; A149-F163 HydrophobicContact CB-CE2 4.16Å; A149-F163 HydrophobicContact CB-CG 3.74Å; A149-F163 HydrophobicContact CB-CZ 3.98Å; A149-V174 HydrophobicContact CB-CG2 3.83Å
150V93.6Very high90.9Very high27 Ų2776.9 Ų76.916%0.16441%0.414CS..Hα-helixtrans-61.2-43.1173.8172.10000111.1S146 E147 E148 M153 N154 V174 Y182S146-V150 VanDerWaalsContact O-CG2 3.31Å; S146-V150 WeakPolarHBondContact O-CG2 3.44Å; S146-V150 PolarHBondContact O-N 3.25Å; E147-V150 WeakPolarHBondContact O-CB 3.49Å; E147-V150 PolarHBondContact O-N 2.82Å; E148-V150 VanDerWaalsContact C-N 3.34Å; E148-V150 PolarHBondContact O-N 2.81Å; V150-M153 WeakPolarHBondContact O-CB 3.2Å; V150-M153 PolarHBondContact O-N 2.83Å; V150-N154 PolarHBondContact O-N 3.47Å; V150-N154 PolarHBondContact O-ND2 3.42Å; V150-V174 HydrophobicContact CG2-CG1 3.55Å; V150-V174 HydrophobicContact CG2-CG2 4.24Å; V150-Y182 HydrophobicContact CG1-CD1 3.94Å; V150-Y182 HydrophobicContact CG1-CD2 3.91Å; V150-Y182 HydrophobicContact CG1-CE1 3.72Å; V150-Y182 HydrophobicContact CG1-CE2 3.69Å; V150-Y182 HydrophobicContact CG1-CG 4.03Å; V150-Y182 HydrophobicContact CG2-CD1 4.34Å; V150-Y182 HydrophobicContact CG2-CD2 4.39Å; V150-Y182 HydrophobicContact CG2-CG 4.07Å
151L93.1Very high91.4Very high104 Ų10473.7 Ų73.755%0.54539%0.387SS..Hα-helixtrans-61.3-48.9178.1-172.777.1000111E147 E148 A149 M153 N154 L155E147-L151 PolarHBondContact O-N 3.14Å; E147-L151 VanDerWaalsContact O-N 3.08Å; E148-L151 WeakPolarHBondContact O-CB 3.49Å; E148-L151 PolarHBondContact O-N 2.83Å; E148-L151 VanDerWaalsContact O-N 3.16Å; A149-L151 VanDerWaalsContact C-N 3.34Å; A149-L151 PolarHBondContact O-N 2.77Å; L151-M153 PolarHBondContact O-N 2.9Å; L151-N154 PolarHBondContact O-N 3.44Å; L151-L155 HydrophobicContact CG-CD1 4.16Å; L151-L155 WeakPolarHBondContact O-CG 3.45Å; L151-L155 PolarHBondContact O-N 3.35Å
152Q91.5Very high91.7Very high65 Ų6572.9 Ų72.930%0.30439%0.385SS..Hα-helixtrans-62.1-42.7178.6-66.6-62.3-15.600111.9M144 E148 A149 N154 L155 L156 F161M144-Q152 HydrophobicContact SD-CG 4.34Å; E148-Q152 WeakPolarHBondContact O-CG 3.34Å; E148-Q152 PolarHBondContact O-N 2.67Å; A149-Q152 PolarHBondContact O-N 2.72Å; Q152-N154 VanDerWaalsContact C-N 3.32Å; Q152-N154 PolarHBondContact O-N 3.33Å; Q152-L155 PolarHBondContact O-N 2.87Å; Q152-L156 WeakPolarHBondContact O-CG 3.43Å; Q152-L156 PolarHBondContact O-N 3.01Å; Q152-F161 HydrophobicContact CB-CD2 4.46Å; Q152-F161 HydrophobicContact CB-CE1 4.04Å; Q152-F161 HydrophobicContact CB-CE2 3.99Å; Q152-F161 HydrophobicContact CB-CZ 3.75Å; Q152-F161 HydrophobicContact CG-CZ 4.41Å
153M91.8Very high91.9Very high0 Ų066 Ų660%036%0.355CS..Hα-helixtrans-55.7-47.5175.3-172.9-172.368.700111.6A149 V150 L151 L156 G157 H158 F161 V174 Y182A149-M153 VanDerWaalsContact O-CB 3.29Å; A149-M153 WeakPolarHBondContact O-CB 3.17Å; A149-M153 PolarHBondContact O-N 2.88Å; V150-M153 WeakPolarHBondContact O-CB 3.2Å; V150-M153 PolarHBondContact O-N 2.83Å; L151-M153 PolarHBondContact O-N 2.9Å; M153-L156 PolarHBondContact O-N 3.4Å; M153-G157 PolarHBondContact O-N 3.3Å; M153-G157 VanDerWaalsContact O-N 3.14Å; M153-H158 VanDerWaalsContact CG-O 3.23Å; M153-H158 WeakPolarHBondContact CG-O 3.18Å; M153-H158 PolarHBondContact O-N 3.13Å; M153-H158 VanDerWaalsContact O-N 3.14Å; M153-F161 HydrophobicContact CB-CB 3.63Å; M153-F161 HydrophobicContact CB-CG 4.26Å; M153-F161 HydrophobicContact CG-CB 3.87Å; M153-V174 HydrophobicContact CE-CG1 4.24Å; M153-V174 HydrophobicContact SD-CG1 3.97Å; M153-Y182 HydrophobicContact CE-CD1 3.54Å; M153-Y182 HydrophobicContact CE-CE1 3.42Å; M153-Y182 VanDerWaalsContact CE-CE1 3.42Å
154N91.9Very high92Very high59 Ų5963 Ų6332%0.31634%0.335SS..Hα-helixtrans-68.2-38.5-179.7-74.7-29.8000112.4V150 L151 Q152 G157 R176 Y182V150-N154 PolarHBondContact O-N 3.47Å; V150-N154 PolarHBondContact O-ND2 3.42Å; L151-N154 PolarHBondContact O-N 3.44Å; Q152-N154 VanDerWaalsContact C-N 3.32Å; Q152-N154 PolarHBondContact O-N 3.33Å; N154-G157 PolarHBondContact O-N 2.88Å; N154-R176 PolarHBondContact OD1-NH2 3.17Å; N154-Y182 PolarHBondContact ND2-OH 3.5Å
155L92.3Very high92Very high127 Ų12763 Ų6367%0.66534%0.335SS*.Hα-helixtrans-64.2-38.2176.3-74.2168.8000112.5L151 Q152 G157L151-L155 HydrophobicContact CG-CD1 4.16Å; L151-L155 WeakPolarHBondContact O-CG 3.45Å; L151-L155 PolarHBondContact O-N 3.35Å; Q152-L155 PolarHBondContact O-N 2.87Å; L155-G157 VanDerWaalsContact C-N 3.28Å
156L90.1Very high91.8Very high92 Ų9268.7 Ų68.748%0.48235%0.351SS..Hα-helixtrans-77.7-13.6176.5-67.9173000113.3Q152 M153 H158 F161Q152-L156 WeakPolarHBondContact O-CG 3.43Å; Q152-L156 PolarHBondContact O-N 3.01Å; M153-L156 PolarHBondContact O-N 3.4Å; L156-H158 VanDerWaalsContact C-N 3.29Å; L156-H158 PolarHBondContact O-N 3.43Å; L156-F161 HydrophobicContact CD1-CD2 3.98Å; L156-F161 HydrophobicContact CD1-CE2 3.61Å
157G89.3Confident91.6Very high55 Ų5575 Ų7557%0.56738%0.376SS*.THydrogen-bonded Turntrans65.332-174.400000112.9M153 N154 L155M153-G157 PolarHBondContact O-N 3.3Å; M153-G157 VanDerWaalsContact O-N 3.14Å; N154-G157 PolarHBondContact O-N 2.88Å; L155-G157 VanDerWaalsContact C-N 3.28Å
158H89.1Confident91.3Very high67 Ų6771.7 Ų71.731%0.3137%0.366SS..  trans-96.4154.6176.2-67.4-16.2000111M153 L156 F160M153-H158 VanDerWaalsContact CG-O 3.23Å; M153-H158 WeakPolarHBondContact CG-O 3.18Å; M153-H158 PolarHBondContact O-N 3.13Å; M153-H158 VanDerWaalsContact O-N 3.14Å; L156-H158 VanDerWaalsContact C-N 3.29Å; L156-H158 PolarHBondContact O-N 3.43Å; H158-F160 WeakPolarHBondContact CB-O 3.4Å
159D91.3Very high90.9Very high100 Ų10073.2 Ų73.254%0.53538%0.377SS..SBendtrans-89-9.5175.6-70-38.5000112.8Y175 R176D159-Y175 CarbonylContact O-C 3.6Å; D159-Y175 WeakPolarHBondContact O-CA 3.21Å; D159-R176 PolarHBondContact O-N 3.01Å; D159-R176 IonicContact OD1-CZ 3.84Å; D159-R176 IonicContact OD1-NH1 2.95Å; D159-R176 PolarHBondContact OD1-NH1 3.32Å
160F92.2Very high90.8Very high131 Ų13174 Ų7458%0.57539%0.386SS*.EExtended strand (participates in β ladder)trans-144.3154.7172.968.9-86.8000110.8H158 V162 I173 V174H158-F160 WeakPolarHBondContact CB-O 3.4Å; F160-V162 HydrophobicContact CD2-CG2 4.32Å; F160-I173 HydrophobicContact CB-CG2 4.3Å; F160-V174 CarbonylContact C-O 3.56Å; F160-V174 WeakPolarHBondContact CA-O 3.23Å
161F92Very high90.7Very high36 Ų3675.2 Ų75.216%0.15839%0.393CS..EExtended strand (participates in β ladder)trans-144.9127.8177-168.6-97000110.2M144 A149 Q152 M153 L156 F163 I173 V174M144-F161 HydrophobicContact CE-CE1 4Å; M144-F161 HydrophobicContact CE-CZ 4.36Å; M144-F161 HydrophobicContact SD-CE1 3.73Å; A149-F161 HydrophobicContact CB-CD1 3.99Å; A149-F161 HydrophobicContact CB-CE1 4.46Å; Q152-F161 HydrophobicContact CB-CD2 4.46Å; Q152-F161 HydrophobicContact CB-CE1 4.04Å; Q152-F161 HydrophobicContact CB-CE2 3.99Å; Q152-F161 HydrophobicContact CB-CZ 3.75Å; Q152-F161 HydrophobicContact CG-CZ 4.41Å; M153-F161 HydrophobicContact CB-CB 3.63Å; M153-F161 HydrophobicContact CB-CG 4.26Å; M153-F161 HydrophobicContact CG-CB 3.87Å; L156-F161 HydrophobicContact CD1-CD2 3.98Å; L156-F161 HydrophobicContact CD1-CE2 3.61Å; F161-F163 HydrophobicContact CD1-CB 4.24Å; F161-F163 HydrophobicContact CE1-CB 4.05Å; F161-I173 CarbonylContact O-C 3.45Å; F161-I173 WeakPolarHBondContact O-CA 3.44Å; F161-V174 PolarHBondContact N-O 2.97Å; F161-V174 PolarHBondContact O-N 3.4Å
162V91.5Very high90.6Very high55 Ų5570.3 Ų70.333%0.33337%0.368SS..EExtended strand (participates in β ladder)trans-101.2130.8-179.4-170.30000108.5L141 F160 T171 S172 I173L141-V162 HydrophobicContact CD2-CB 4.16Å; L141-V162 HydrophobicContact CD2-CG1 3.69Å; F160-V162 HydrophobicContact CD2-CG2 4.32Å; V162-T171 HydrophobicContact CG1-CG2 3.65Å; V162-S172 WeakPolarHBondContact CA-O 3Å; V162-I173 HydrophobicContact CG1-CG1 4.2Å; V162-I173 HydrophobicContact CG2-CD1 4.31Å; V162-I173 HydrophobicContact CG2-CG1 4.08Å; V162-I173 HydrophobicContact CG2-CG2 4.35Å
163F92.2Very high90.7Very high1 Ų169.5 Ų69.50%0.00437%0.365CS..EExtended strand (participates in β ladder)trans-145.8165.3-178.169.7-71.7000110.6M144 A149 F161 D165 S172 V174 L184M144-F163 HydrophobicContact CE-CB 4.35Å; M144-F163 HydrophobicContact CG-CB 3.82Å; M144-F163 HydrophobicContact CG-CD2 3.53Å; M144-F163 HydrophobicContact CG-CE2 4.41Å; M144-F163 HydrophobicContact CG-CG 3.95Å; M144-F163 WeakPolarHBondContact O-CD2 3.34Å; M144-F163 WeakPolarHBondContact O-CE2 3.34Å; M144-F163 HydrophobicContact SD-CB 4.02Å; M144-F163 HydrophobicContact SD-CG 4.48Å; A149-F163 HydrophobicContact CB-CB 4.43Å; A149-F163 HydrophobicContact CB-CD1 3.51Å; A149-F163 HydrophobicContact CB-CD2 4.05Å; A149-F163 HydrophobicContact CB-CE1 3.68Å; A149-F163 HydrophobicContact CB-CE2 4.16Å; A149-F163 HydrophobicContact CB-CG 3.74Å; A149-F163 HydrophobicContact CB-CZ 3.98Å; F161-F163 HydrophobicContact CD1-CB 4.24Å; F161-F163 HydrophobicContact CE1-CB 4.05Å; F163-D165 HydrophobicContact CE2-CB 4.14Å; F163-S172 WeakPolarHBondContact CD1-O 3.49Å; F163-S172 VanDerWaalsContact CE1-CB 3.43Å; F163-S172 VanDerWaalsContact CZ-CB 3.42Å; F163-S172 PolarHBondContact N-O 2.95Å; F163-S172 PolarHBondContact O-N 3.01Å; F163-S172 VanDerWaalsContact O-O 3.09Å; F163-V174 HydrophobicContact CD1-CG2 4.46Å; F163-V174 HydrophobicContact CE1-CG2 3.69Å; F163-V174 HydrophobicContact CZ-CG2 4.3Å; F163-L184 HydrophobicContact CE1-CD1 4.04Å; F163-L184 HydrophobicContact CZ-CD1 3.96Å
164T93.1Very high90.8Very high26 Ų2669.6 Ų69.616%0.1637%0.366CS..EExtended strand (participates in β ladder)trans-92.4126.6167-60.60000107.4L141 K142 P143 M144 G170L141-T164 VanDerWaalsContact CB-OG1 3.27Å; L141-T164 WeakPolarHBondContact CB-OG1 3.49Å; K142-T164 PolarHBondContact O-N 3.48Å; P143-T164 CarbonylContact C-O 3.55Å; P143-T164 VanDerWaalsContact CA-O 3.26Å; P143-T164 WeakPolarHBondContact CA-O 3.29Å; M144-T164 PolarHBondContact N-O 2.79Å; T164-G170 WeakPolarHBondContact CA-O 3.45Å
165D92Very high90.9Very high12 Ų1270.4 Ų70.46%0.06437%0.365CS..EExtended strand (participates in β ladder)trans-73.5128.8176.6175.57.3000109.8F163 E167 T168 D169 G170F163-D165 HydrophobicContact CE2-CB 4.14Å; D165-E167 VanDerWaalsContact C-N 3.27Å; D165-E167 PolarHBondContact O-N 3.34Å; D165-E167 PolarHBondContact OD1-N 3.27Å; D165-T168 VanDerWaalsContact CB-OG1 3.31Å; D165-T168 WeakPolarHBondContact CB-OG1 3.38Å; D165-T168 VanDerWaalsContact CG-OG1 3.27Å; D165-T168 PolarHBondContact OD2-OG1 3.17Å; D165-D169 WeakPolarHBondContact O-CA 3.12Å; D165-D169 PolarHBondContact O-N 3.21Å; D165-G170 PolarHBondContact N-O 3.45Å
166R89.9Confident90.9Very high196 Ų19668.9 Ų68.974%0.7435%0.35SS*.THydrogen-bonded Turntrans-65.8-27.1-177.9179.5176.1173.91550.1113.3M144M144-R166 PolarHBondContact O-N 2.99Å
167E87.2Confident91Very high174 Ų17469.8 Ų69.881%0.81335%0.347SS*.THydrogen-bonded Turntrans-86.2-38.6-178.1-64.5-167164.900112.6D165D165-E167 VanDerWaalsContact C-N 3.27Å; D165-E167 PolarHBondContact O-N 3.34Å; D165-E167 PolarHBondContact OD1-N 3.27Å
168T86.3Confident90.8Very high82 Ų8277.9 Ų77.950%0.50337%0.367SS..THydrogen-bonded Turntrans-100.9-10.4-173.759.20000113.5D165 G170D165-T168 VanDerWaalsContact CB-OG1 3.31Å; D165-T168 WeakPolarHBondContact CB-OG1 3.38Å; D165-T168 VanDerWaalsContact CG-OG1 3.27Å; D165-T168 PolarHBondContact OD2-OG1 3.17Å; T168-G170 PolarHBondContact O-N 3.14Å; T168-G170 PolarHBondContact OG1-N 2.99Å
169D86.5Confident90.6Very high128 Ų12878.4 Ų78.468%0.68437%0.372SS*.  trans5212-167.6-72.9-39000113.7D165D165-D169 WeakPolarHBondContact O-CA 3.12Å; D165-D169 PolarHBondContact O-N 3.21Å
170G89.1Confident90.3Very high18 Ų1876.2 Ų76.219%0.18637%0.373CS..SBendtrans-88.9159.6-177.700000112.6T164 D165 T168 S172T164-G170 WeakPolarHBondContact CA-O 3.45Å; D165-G170 PolarHBondContact N-O 3.45Å; T168-G170 PolarHBondContact O-N 3.14Å; T168-G170 PolarHBondContact OG1-N 2.99Å; G170-S172 PolarHBondContact O-N 3.29Å
171T91.6Very high90.3Very high52 Ų5276.7 Ų76.732%0.31937%0.374SS..EExtended strand (participates in β ladder)trans-74.1126.1171.7-58.10000109.5L141 V162 T187L141-T171 HydrophobicContact CD1-CG2 4.27Å; V162-T171 HydrophobicContact CG1-CG2 3.65Å; T171-T187 PolarHBondContact O-N 3.36Å; T171-T187 PolarHBondContact O-OG1 2.86Å
172S92.3Very high90.3Very high1 Ų180 Ų801%0.00739%0.387CS..EExtended strand (participates in β ladder)trans-126.7149.2178.5-71.30000110.6V162 F163 G170 I185V162-S172 WeakPolarHBondContact CA-O 3Å; F163-S172 WeakPolarHBondContact CD1-O 3.49Å; F163-S172 VanDerWaalsContact CE1-CB 3.43Å; F163-S172 VanDerWaalsContact CZ-CB 3.42Å; F163-S172 PolarHBondContact N-O 2.95Å; F163-S172 PolarHBondContact O-N 3.01Å; F163-S172 VanDerWaalsContact O-O 3.09Å; G170-S172 PolarHBondContact O-N 3.29Å; S172-I185 CarbonylContact C-O 3.59Å; S172-I185 WeakPolarHBondContact CA-O 3.31Å
173I92.8Very high90.3Very high47 Ų4777.9 Ų77.924%0.24138%0.376CS..EExtended strand (participates in β ladder)trans-127.6119-179.8-49.5179.2000108.7F160 F161 V162 L184 I185F160-I173 HydrophobicContact CB-CG2 4.3Å; F161-I173 CarbonylContact O-C 3.45Å; F161-I173 WeakPolarHBondContact O-CA 3.44Å; V162-I173 HydrophobicContact CG1-CG1 4.2Å; V162-I173 HydrophobicContact CG2-CD1 4.31Å; V162-I173 HydrophobicContact CG2-CG1 4.08Å; V162-I173 HydrophobicContact CG2-CG2 4.35Å; I173-L184 CarbonylContact O-C 3.58Å; I173-L184 WeakPolarHBondContact O-CA 3.45Å; I173-I185 HydrophobicContact CB-CB 4.27Å; I173-I185 PolarHBondContact N-O 3.38Å; I173-I185 PolarHBondContact O-N 2.97Å
174V93.6Very high90.3Very high3 Ų381.6 Ų81.62%0.01840%0.395CS..EExtended strand (participates in β ladder)trans-87.5140.2164.2176.40000108.5A149 V150 M153 F160 F161 F163 G183 L184A149-V174 HydrophobicContact CB-CG2 3.83Å; V150-V174 HydrophobicContact CG2-CG1 3.55Å; V150-V174 HydrophobicContact CG2-CG2 4.24Å; M153-V174 HydrophobicContact CE-CG1 4.24Å; M153-V174 HydrophobicContact SD-CG1 3.97Å; F160-V174 CarbonylContact C-O 3.56Å; F160-V174 WeakPolarHBondContact CA-O 3.23Å; F161-V174 PolarHBondContact N-O 2.97Å; F161-V174 PolarHBondContact O-N 3.4Å; F163-V174 HydrophobicContact CD1-CG2 4.46Å; F163-V174 HydrophobicContact CE1-CG2 3.69Å; F163-V174 HydrophobicContact CZ-CG2 4.3Å; V174-G183 CarbonylContact C-O 3.59Å; V174-G183 WeakPolarHBondContact CA-O 3.09Å; V174-L184 HydrophobicContact CG2-CD1 3.96Å
175Y94.3Very high90.3Very high75 Ų7584.3 Ų84.329%0.29441%0.408SS..EExtended strand (participates in β ladder)trans-141154.9172.669.5-79.3000112.4D159 R177 Y182 G183 I185D159-Y175 CarbonylContact O-C 3.6Å; D159-Y175 WeakPolarHBondContact O-CA 3.21Å; Y175-R177 HydrophobicContact CD2-CG 4.29Å; Y175-R177 HydrophobicContact CE2-CG 3.62Å; Y175-Y182 WeakPolarHBondContact O-CA 3.5Å; Y175-G183 VanDerWaalsContact CD1-O 3.28Å; Y175-G183 WeakPolarHBondContact CD1-O 3.42Å; Y175-G183 VanDerWaalsContact CE1-C 3.46Å; Y175-G183 PolarHBondContact N-O 3.08Å; Y175-G183 PolarHBondContact O-N 3.16Å; Y175-I185 HydrophobicContact CD1-CD1 3.97Å; Y175-I185 HydrophobicContact CD1-CG1 3.92Å; Y175-I185 HydrophobicContact CE1-CD1 3.86Å; Y175-I185 HydrophobicContact CE1-CG1 3.6Å
176R93.1Very high90.1Very high96 Ų9689.3 Ų89.336%0.36243%0.431SS..EExtended strand (participates in β ladder)trans-82.7122.4174.6-170.8177.5-68.6147.1-5.5110.1N154 D159N154-R176 PolarHBondContact OD1-NH2 3.17Å; D159-R176 PolarHBondContact O-N 3.01Å; D159-R176 IonicContact OD1-CZ 3.84Å; D159-R176 IonicContact OD1-NH1 2.95Å; D159-R176 PolarHBondContact OD1-NH1 3.32Å
177R91.7Very high90Very high110 Ų11083.5 Ų83.542%0.41542%0.417SS..  trans-83.2157.9175.3-66.5169.762.1107.21.3110.4Y175 D179 G180 K181Y175-R177 HydrophobicContact CD2-CG 4.29Å; Y175-R177 HydrophobicContact CE2-CG 3.62Å; R177-D179 WeakPolarHBondContact CB-OD1 3.35Å; R177-D179 IonicContact CZ-OD2 2.88Å; R177-D179 IonicContact NE-OD1 3.81Å; R177-D179 IonicContact NE-OD2 2.83Å; R177-D179 PolarHBondContact NE-OD2 2.92Å; R177-D179 IonicContact NH2-OD2 2.67Å; R177-D179 PolarHBondContact O-N 3.3Å; R177-G180 PolarHBondContact O-N 3.26Å; R177-K181 WeakPolarHBondContact CB-O 3.5Å; R177-K181 PolarHBondContact N-O 3.39Å
178K86.1Confident89.6Confident226 Ų22679.5 Ų79.598%0.98341%0.409SS*.THydrogen-bonded Turntrans-62.7-20.2177.4-65.9-174.6178-177.10114.3
179D83.9Confident88.7Confident78 Ų7885.3 Ų85.342%0.41743%0.43SS..THydrogen-bonded Turntrans-83.75174.956.210.2000112.8R177 K181R177-D179 WeakPolarHBondContact CB-OD1 3.35Å; R177-D179 IonicContact CZ-OD2 2.88Å; R177-D179 IonicContact NE-OD1 3.81Å; R177-D179 IonicContact NE-OD2 2.83Å; R177-D179 PolarHBondContact NE-OD2 2.92Å; R177-D179 IonicContact NH2-OD2 2.67Å; R177-D179 PolarHBondContact O-N 3.3Å; D179-K181 PolarHBondContact O-N 3.04Å; D179-K181 WeakPolarHBondContact OD1-CB 3.4Å; D179-K181 PolarHBondContact OD1-N 2.95Å
180G85.9Confident87.1Confident53 Ų5391.2 Ų91.255%0.54645%0.453SS..SBendtrans80.6-3.5-178.600000114.1R177R177-G180 PolarHBondContact O-N 3.26Å
181K90.6Very high87Confident141 Ų14194.9 Ų94.961%0.61347%0.467SS*.  trans-84.5170.8176.1-60.7-175.3177.6-174.90111R177 D179R177-K181 WeakPolarHBondContact CB-O 3.5Å; R177-K181 PolarHBondContact N-O 3.39Å; D179-K181 PolarHBondContact O-N 3.04Å; D179-K181 WeakPolarHBondContact OD1-CB 3.4Å; D179-K181 PolarHBondContact OD1-N 2.95Å
182Y92.8Very high86.8Confident107 Ų10797.1 Ų97.142%0.4248%0.475SS..EExtended strand (participates in β ladder)trans-96.2144.5173.9-54.2-71.7000110.4V150 M153 N154 Y175V150-Y182 HydrophobicContact CG1-CD1 3.94Å; V150-Y182 HydrophobicContact CG1-CD2 3.91Å; V150-Y182 HydrophobicContact CG1-CE1 3.72Å; V150-Y182 HydrophobicContact CG1-CE2 3.69Å; V150-Y182 HydrophobicContact CG1-CG 4.03Å; V150-Y182 HydrophobicContact CG2-CD1 4.34Å; V150-Y182 HydrophobicContact CG2-CD2 4.39Å; V150-Y182 HydrophobicContact CG2-CG 4.07Å; M153-Y182 HydrophobicContact CE-CD1 3.54Å; M153-Y182 HydrophobicContact CE-CE1 3.42Å; M153-Y182 VanDerWaalsContact CE-CE1 3.42Å; N154-Y182 PolarHBondContact ND2-OH 3.5Å; Y175-Y182 WeakPolarHBondContact O-CA 3.5Å
183G91.8Very high86.5Confident10 Ų10102.4 Ų102.410%0.10350%0.501CS..EExtended strand (participates in β ladder)trans-117.3148.3168.700000110V174 Y175V174-G183 CarbonylContact C-O 3.59Å; V174-G183 WeakPolarHBondContact CA-O 3.09Å; Y175-G183 VanDerWaalsContact CD1-O 3.28Å; Y175-G183 WeakPolarHBondContact CD1-O 3.42Å; Y175-G183 VanDerWaalsContact CE1-C 3.46Å; Y175-G183 PolarHBondContact N-O 3.08Å; Y175-G183 PolarHBondContact O-N 3.16Å
184L92.5Very high86.1Confident78 Ų78105.7 Ų105.741%0.40852%0.516SS..EExtended strand (participates in β ladder)trans-116.3131.8175.7-178.368.9000108.4F163 I173 V174 Q186F163-L184 HydrophobicContact CE1-CD1 4.04Å; F163-L184 HydrophobicContact CZ-CD1 3.96Å; I173-L184 CarbonylContact O-C 3.58Å; I173-L184 WeakPolarHBondContact O-CA 3.45Å; V174-L184 HydrophobicContact CG2-CD1 3.96Å; L184-Q186 HydrophobicContact CD2-CG 3.96Å; L184-Q186 HydrophobicContact CG-CG 4.05Å
185I91.8Very high85.6Confident83 Ų83112.1 Ų112.143%0.42655%0.547SS..EExtended strand (participates in β ladder)trans-115.2115.1170.5-55.7176.4000106.2S172 I173 Y175S172-I185 CarbonylContact C-O 3.59Å; S172-I185 WeakPolarHBondContact CA-O 3.31Å; I173-I185 HydrophobicContact CB-CB 4.27Å; I173-I185 PolarHBondContact N-O 3.38Å; I173-I185 PolarHBondContact O-N 2.97Å; Y175-I185 HydrophobicContact CD1-CD1 3.97Å; Y175-I185 HydrophobicContact CD1-CG1 3.92Å; Y175-I185 HydrophobicContact CE1-CD1 3.86Å; Y175-I185 HydrophobicContact CE1-CG1 3.6Å
186Q89.5Confident85.1Confident117 Ų117114.6 Ų114.655%0.54756%0.564SS.*EExtended strand (participates in β ladder)trans-99.8136.4173.2-67.6173.8-41.600108.5L184L184-Q186 HydrophobicContact CD2-CG 3.96Å; L184-Q186 HydrophobicContact CG-CG 4.05Å
187T86.2Confident84.5Confident74 Ų74115.9 Ų115.945%0.45458%0.578SS.*PPolyproline II helixtrans-97.9117.7169.765.80000108.9T171T171-T187 PolarHBondContact O-N 3.36Å; T171-T187 PolarHBondContact O-OG1 2.86Å
188S79Confident83.9Confident91 Ų91116.4 Ų116.464%0.63659%0.591SS**PPolyproline II helixtrans-93.1133.2162.858.30000108.3Q190S188-Q190 PolarHBondContact O-N 3.19Å
189E68.8Low83.8Confident203 Ų203107.3 Ų107.395%0.94956%0.558SS**PPolyproline II helixtrans-63.3118.5163.7-65.6-173.8164.400108.1
190Q52.4Low83.7Confident252 Ų252109.9 Ų109.9100%1.17857%0.571SS**  trans-99.10169.6-74.9-167.8-8.500109.9S188S188-Q190 PolarHBondContact O-N 3.19Å

Retrieved 190 of 190 residues in 329 ms (Link to these results)

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