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Ribosome hibernation promotion factor

Required for dimerization of active 70S ribosomes into 100S ribosomes; when added to monomeric 70S ribosomes stimulates formation of 100S dimeric ribosomes. Unlike E.coli, 100S ribosomes are present during exponential growth, peak during early stationary phase and then decrease (shown for strain NBRC 3060).

AlphaFold DB , UniProt , Accession Q2G055, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), 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 32.6 ms (Link to these results)

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