A0A096NHF7_PAPAN Loading...

Dynactin subunit 5

Part of the dynactin complex that activates the molecular motor dynein for ultra-processive transport along microtubules.

AlphaFold DB (A0A2K5VT81), UniProt , Accession A0A096NHF7, Species PAPAN (Papio anubis, Olive baboon), Gene DCTN5, Length 152 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
1M42.3Very low51.6Low237 Ų237138.8 Ų138.8100%1.16772%0.72SS**  094.70-159.3166.2-15200105.3L3M1-L3 PolarHBondContact O-N 3.13Å; M1-L3 VanDerWaalsContact O-N 3.15Å
2E34.7Very low53.7Low195 Ų195133.7 Ų133.791%0.91169%0.69SS**  trans-63.2115.8-176.4-68.6177.2142.900108G4E2-G4 PolarHBondContact O-N 2.87Å
3L45.6Very low55.9Low172 Ų172125.3 Ų125.390%0.90165%0.645SS**  trans-66.988.4171.2-83.6151.8000106.4M1 E5M1-L3 PolarHBondContact O-N 3.13Å; M1-L3 VanDerWaalsContact O-N 3.15Å; L3-E5 PolarHBondContact O-N 3.07Å
4G42.5Very low57.9Low62 Ų62122.6 Ų122.664%0.63963%0.631SS**  trans-52.6118.3173.300000108.6E2 L6E2-G4 PolarHBondContact O-N 2.87Å; G4-L6 PolarHBondContact O-N 2.73Å
5E43.4Very low59.6Low171 Ų171120.5 Ų120.580%0.79962%0.617SS**  trans-62.7101.7176.2-65.3-176.2135.700107.8L3 L7L3-E5 PolarHBondContact O-N 3.07Å; E5-L7 PolarHBondContact O-N 2.92Å
6L57Low61Low114 Ų114116.4 Ų116.460%0.59760%0.599SS**  trans-70.489.2168.4-94.6145.3000107.3G4 Y8 M43G4-L6 PolarHBondContact O-N 2.73Å; L6-Y8 VanDerWaalsContact C-N 3.34Å; L6-Y8 PolarHBondContact O-N 3.08Å; L6-M43 HydrophobicContact CD1-CE 4.09Å; L6-M43 HydrophobicContact CD2-CE 4.25Å
7L50.2Low61.9Low160 Ų160116.6 Ų116.684%0.83862%0.623SS**  trans-61.194172-73.2158.3000108.3E5E5-L7 PolarHBondContact O-N 2.92Å
8Y58.2Low62.8Low107 Ų107113.6 Ų113.642%0.4261%0.612SS.*  trans-79.3132.2172.969.5-87.1000108.8L6 K10 Y13 K21L6-Y8 VanDerWaalsContact C-N 3.34Å; L6-Y8 PolarHBondContact O-N 3.08Å; Y8-K10 PolarHBondContact O-N 2.62Å; Y8-Y13 HydrophobicContact CD2-CD2 4.24Å; Y8-Y13 HydrophobicContact CD2-CG 4.48Å; Y8-K21 HydrophobicContact CE2-CD 4.32Å; Y8-K21 VanDerWaalsContact CZ-NZ 3.29Å; Y8-K21 PolarHBondContact OH-NZ 3.06Å
9N61.5Low63.9Low90 Ų90109.6 Ų109.648%0.48160%0.6SS.*  trans-77.8110.9177.3-159.2-16.3000108.6S11 E12 Y13N9-S11 PolarHBondContact O-N 2.78Å; N9-S11 PolarHBondContact OD1-OG 3.19Å; N9-S11 VanDerWaalsContact OD1-OG 3.13Å; N9-E12 HydrophobicContact CB-CG 4.37Å; N9-E12 PolarHBondContact O-N 2.96Å; N9-Y13 WeakPolarHBondContact O-CD2 3.32Å
10K64.3Low65.1Low136 Ų136104.3 Ų104.359%0.59157%0.571SS**G310 helixtrans-54-28.9-175.2-166.8175.2-175.9179.60112.8Y8 E12 Y13Y8-K10 PolarHBondContact O-N 2.62Å; K10-E12 VanDerWaalsContact C-N 3.3Å; K10-E12 PolarHBondContact O-N 2.95Å; K10-Y13 PolarHBondContact O-N 3.26Å
11S67.6Low66.2Low83 Ų83101.6 Ų101.658%0.5855%0.554SS**G310 helixtrans-60.1-35.1177-38.60000113.8N9 R24N9-S11 PolarHBondContact O-N 2.78Å; N9-S11 PolarHBondContact OD1-OG 3.19Å; N9-S11 VanDerWaalsContact OD1-OG 3.13Å; S11-R24 PolarHBondContact O-NE 2.97Å
12E77.3Confident68.5Low77 Ų7790.9 Ų90.936%0.3650%0.502SS..G310 helixtrans-88.3-10.6-174.8-68.5-178.6-174.800113N9 K10 R24 N44N9-E12 HydrophobicContact CB-CG 4.37Å; N9-E12 PolarHBondContact O-N 2.96Å; K10-E12 VanDerWaalsContact C-N 3.3Å; K10-E12 PolarHBondContact O-N 2.95Å; E12-R24 WeakPolarHBondContact O-CG 3.47Å; E12-R24 PolarHBondContact O-N 3.06Å; E12-N44 PolarHBondContact OE2-ND2 2.81Å
13Y81.9Confident71.1Confident25 Ų2581.7 Ų81.710%0.09846%0.459CS..EExtended strand (participates in β ladder)trans-111.7138.3-176.7-71.7-101.8000111.3Y8 N9 K10 K21 V22 V42 N44Y8-Y13 HydrophobicContact CD2-CD2 4.24Å; Y8-Y13 HydrophobicContact CD2-CG 4.48Å; N9-Y13 WeakPolarHBondContact O-CD2 3.32Å; K10-Y13 PolarHBondContact O-N 3.26Å; Y13-K21 HydrophobicContact CD1-CB 4.25Å; Y13-V22 CarbonylContact C-O 3.6Å; Y13-V22 WeakPolarHBondContact CA-O 3.26Å; Y13-V42 VanDerWaalsContact CE1-O 3.31Å; Y13-V42 WeakPolarHBondContact CE1-O 3.36Å; Y13-N44 PolarHBondContact OH-OD1 2.92Å
14I84.9Confident73Confident87 Ų8782 Ų8245%0.44645%0.448SS..EExtended strand (participates in β ladder)trans-94.3121.6171.5-58.3172000106.8K21 V22 R24I14-K21 WeakPolarHBondContact O-CA 3.44Å; I14-V22 PolarHBondContact N-O 3.11Å; I14-V22 PolarHBondContact O-N 3.19Å; I14-R24 HydrophobicContact CD1-CG 4Å; I14-R24 HydrophobicContact CG1-CG 3.85Å
15E83.4Confident75.2Confident92 Ų9283.9 Ų83.943%0.4344%0.441SS..EExtended strand (participates in β ladder)trans-94.1119.5172.8-60.8-170.8143.300109N20 K21E15-N20 CarbonylContact C-O 3.55Å; E15-N20 VanDerWaalsContact CA-O 3.28Å; E15-N20 WeakPolarHBondContact CA-O 3.41Å; E15-K21 HydrophobicContact CG-CG 4.27Å; E15-K21 WeakPolarHBondContact OE1-CE 3.33Å
16T82.1Confident77.4Confident54 Ų5476.5 Ų76.533%0.33141%0.408SS..PPolyproline II helixtrans-84.3160.4174.1640000110.7S18 G19 N20T16-S18 PolarHBondContact O-N 2.99Å; T16-S18 VanDerWaalsContact O-N 3.09Å; T16-S18 PolarHBondContact OG1-OG 3.4Å; T16-G19 WeakPolarHBondContact O-CA 3.06Å; T16-G19 PolarHBondContact O-N 3.39Å; T16-N20 HydrophobicContact CG2-CB 4.47Å; T16-N20 PolarHBondContact N-O 2.9Å; T16-N20 WeakPolarHBondContact OG1-CB 3.39Å; T16-N20 PolarHBondContact OG1-N 2.85Å; T16-N20 VanDerWaalsContact OG1-N 3.15Å; T16-N20 PolarHBondContact OG1-ND2 3.15Å; T16-N20 PolarHBondContact OG1-O 2.92Å
17A75.2Confident78.9Confident121 Ų12174.6 Ų74.6100%140%0.401SS*.THydrogen-bonded Turntrans-57.3-26.4177.800000113.8G19A17-G19 PolarHBondContact O-N 3.25Å
18S78.4Confident80.7Confident61 Ų6169.8 Ų69.843%0.42738%0.376SS..THydrogen-bonded Turntrans-760.6173.4510000114.2T16 N20 G38 K39T16-S18 PolarHBondContact O-N 2.99Å; T16-S18 VanDerWaalsContact O-N 3.09Å; T16-S18 PolarHBondContact OG1-OG 3.4Å; S18-N20 PolarHBondContact OG-ND2 2.78Å; S18-G38 WeakPolarHBondContact O-CA 3.16Å; S18-K39 PolarHBondContact O-N 2.84Å
19G83.8Confident82.1Confident38 Ų3866.8 Ų66.839%0.39237%0.369SS..SBendtrans77.418.2-176.800000114.1T16 A17 K39T16-G19 WeakPolarHBondContact O-CA 3.06Å; T16-G19 PolarHBondContact O-N 3.39Å; A17-G19 PolarHBondContact O-N 3.25Å; G19-K39 WeakPolarHBondContact O-CA 3.19Å
20N87.3Confident83.1Confident4 Ų464 Ų642%0.02136%0.363CS..  trans-80.9140.4174.7-52.2-36.3000109.5E15 T16 S18 L36 N37 G38 K39 T40E15-N20 CarbonylContact C-O 3.55Å; E15-N20 VanDerWaalsContact CA-O 3.28Å; E15-N20 WeakPolarHBondContact CA-O 3.41Å; T16-N20 HydrophobicContact CG2-CB 4.47Å; T16-N20 PolarHBondContact N-O 2.9Å; T16-N20 WeakPolarHBondContact OG1-CB 3.39Å; T16-N20 PolarHBondContact OG1-N 2.85Å; T16-N20 VanDerWaalsContact OG1-N 3.15Å; T16-N20 PolarHBondContact OG1-ND2 3.15Å; T16-N20 PolarHBondContact OG1-O 2.92Å; S18-N20 PolarHBondContact OG-ND2 2.78Å; N20-L36 WeakPolarHBondContact ND2-CB 3.45Å; N20-L36 PolarHBondContact ND2-O 2.94Å; N20-L36 VanDerWaalsContact ND2-O 3.13Å; N20-N37 PolarHBondContact OD1-O 3.28Å; N20-G38 WeakPolarHBondContact OD1-CA 3.32Å; N20-K39 PolarHBondContact OD1-N 2.69Å; N20-T40 CarbonylContact C-O 3.53Å; N20-T40 WeakPolarHBondContact CA-O 3.48Å; N20-T40 WeakPolarHBondContact CB-OG1 3.31Å; N20-T40 PolarHBondContact OD1-N 2.85Å; N20-T40 PolarHBondContact OD1-OG1 3.2Å
21K89.8Confident83.8Confident47 Ų4762 Ų6220%0.20437%0.365CS..EExtended strand (participates in β ladder)trans-110.9112177.5-59.6-175.6179.2174.80108.2Y8 Y13 I14 E15 T40 I41 V42Y8-K21 HydrophobicContact CE2-CD 4.32Å; Y8-K21 VanDerWaalsContact CZ-NZ 3.29Å; Y8-K21 PolarHBondContact OH-NZ 3.06Å; Y13-K21 HydrophobicContact CD1-CB 4.25Å; I14-K21 WeakPolarHBondContact O-CA 3.44Å; E15-K21 HydrophobicContact CG-CG 4.27Å; E15-K21 WeakPolarHBondContact OE1-CE 3.33Å; K21-T40 PolarHBondContact N-O 3.11Å; K21-I41 HydrophobicContact CB-CG1 4.46Å; K21-I41 HydrophobicContact CB-CG2 4.45Å; K21-I41 CarbonylContact O-C 3.58Å; K21-I41 WeakPolarHBondContact O-CA 3.49Å; K21-V42 PolarHBondContact O-N 3.23Å
22V89.1Confident84.6Confident12 Ų1266.9 Ų66.97%0.07338%0.379CS..EExtended strand (participates in β ladder)trans-118.8121.3-176.2179.20000109.2Y13 I14 S26 L28 L36 V42Y13-V22 CarbonylContact C-O 3.6Å; Y13-V22 WeakPolarHBondContact CA-O 3.26Å; I14-V22 PolarHBondContact N-O 3.11Å; I14-V22 PolarHBondContact O-N 3.19Å; V22-S26 VanDerWaalsContact CG1-OG 3.31Å; V22-S26 WeakPolarHBondContact CG1-OG 3.41Å; V22-L28 HydrophobicContact CG1-CD1 3.55Å; V22-L36 HydrophobicContact CG2-CD1 4.09Å; V22-V42 HydrophobicContact CG1-CB 4.49Å; V22-V42 HydrophobicContact CG2-CG2 4.44Å
23S89.8Confident84.9Confident2 Ų266.1 Ų66.11%0.01438%0.377CS..EExtended strand (participates in β ladder)trans-62.4140.2175.51790000111.9Q25 S26 V42 M43 N44S23-Q25 PolarHBondContact O-N 3.07Å; S23-Q25 PolarHBondContact OG-N 3.26Å; S23-S26 WeakPolarHBondContact O-CB 3.44Å; S23-S26 PolarHBondContact O-N 2.75Å; S23-S26 VanDerWaalsContact O-N 3.07Å; S23-S26 PolarHBondContact O-OG 3.19Å; S23-V42 PolarHBondContact N-O 3Å; S23-M43 WeakPolarHBondContact CB-O 3.44Å; S23-N44 WeakPolarHBondContact CB-OD1 3.37Å; S23-N44 WeakPolarHBondContact OG-CA 3.17Å; S23-N44 VanDerWaalsContact OG-CG 3.27Å; S23-N44 PolarHBondContact OG-OD1 3.47Å
24R86.3Confident85.3Confident179 Ų17965.9 Ų65.968%0.67538%0.378SS*.THydrogen-bonded Turntrans-63.9-24.4173.7-70.1178.5-176.4-133.51.2113.2S11 E12 I14 S26S11-R24 PolarHBondContact O-NE 2.97Å; E12-R24 WeakPolarHBondContact O-CG 3.47Å; E12-R24 PolarHBondContact O-N 3.06Å; I14-R24 HydrophobicContact CD1-CG 4Å; I14-R24 HydrophobicContact CG1-CG 3.85Å; R24-S26 VanDerWaalsContact C-N 3.29Å
25Q88.4Confident85.4Confident102 Ų10264.7 Ų64.748%0.47737%0.374SS..THydrogen-bonded Turntrans-82.2-11.1176.5-67.6179.5-3200112.3S23 N44S23-Q25 PolarHBondContact O-N 3.07Å; S23-Q25 PolarHBondContact OG-N 3.26Å; Q25-N44 HydrophobicContact CB-CB 4.34Å; Q25-N44 PolarHBondContact OE1-ND2 3.31Å
26S88.3Confident85.7Confident15 Ų1562 Ų6211%0.10536%0.363CS..  trans-74.2143.1176.373.90000111.3V22 S23 R24 C46V22-S26 VanDerWaalsContact CG1-OG 3.31Å; V22-S26 WeakPolarHBondContact CG1-OG 3.41Å; S23-S26 WeakPolarHBondContact O-CB 3.44Å; S23-S26 PolarHBondContact O-N 2.75Å; S23-S26 VanDerWaalsContact O-N 3.07Å; S23-S26 PolarHBondContact O-OG 3.19Å; R24-S26 VanDerWaalsContact C-N 3.29Å; S26-C46 CarbonylContact C-O 3.52Å; S26-C46 VanDerWaalsContact CA-O 3.23Å; S26-C46 WeakPolarHBondContact CA-O 3.15Å; S26-C46 WeakPolarHBondContact CB-O 3.3Å
27V89.6Confident85.7Confident74 Ų7462.4 Ų62.445%0.44836%0.363SS..EExtended strand (participates in β ladder)trans-106.9107.8179.6-179.30000108.3C46 I47 I48V27-C46 PolarHBondContact N-O 2.84Å; V27-I47 HydrophobicContact CB-CG1 4.46Å; V27-I47 WeakPolarHBondContact O-CA 3.29Å; V27-I48 PolarHBondContact O-N 2.77Å
28L88.3Confident86.1Confident60 Ų6057.7 Ų57.731%0.31433%0.326SS..EExtended strand (participates in β ladder)trans-103.9106.7172.1-63119.1000109.2V22 I34 I48V22-L28 HydrophobicContact CG1-CD1 3.55Å; L28-I34 HydrophobicContact CB-CD1 3.94Å; L28-I34 HydrophobicContact CD2-CD1 4Å; L28-I34 HydrophobicContact CD2-CG2 4.21Å; L28-I48 CarbonylContact C-O 3.46Å; L28-I48 WeakPolarHBondContact CA-O 3.38Å; L28-I48 HydrophobicContact CD2-CB 4.04Å; L28-I48 HydrophobicContact CD2-CD1 3.91Å; L28-I48 HydrophobicContact CD2-CG1 4.33Å; L28-I48 HydrophobicContact CD2-CG2 4.48Å; L28-I48 HydrophobicContact CG-CB 4.39Å
29C86.4Confident86.6Confident43 Ų4360.7 Ų60.729%0.29133%0.331SS..EExtended strand (participates in β ladder)trans-91134175-57.60000109.8I34 I48 G50 D51C29-I34 VanDerWaalsContact O-CD1 3.26Å; C29-I34 WeakPolarHBondContact O-CD1 3.2Å; C29-I48 PolarHBondContact N-O 2.89Å; C29-G50 CarbonylContact O-C 3.53Å; C29-G50 WeakPolarHBondContact O-CA 3.44Å; C29-G50 PolarHBondContact O-N 3.03Å; C29-D51 HydrophobicContact CB-CB 4.31Å; C29-D51 PolarHBondContact O-N 3.12Å
30G82.6Confident86.9Confident33 Ų3359 Ų5934%0.3431%0.313SS..  trans70.553.2176.800000113.1Q32 N33 I34G30-Q32 PolarHBondContact O-N 3.1Å; G30-Q32 VanDerWaalsContact O-N 3.09Å; G30-N33 WeakPolarHBondContact O-CA 3.24Å; G30-N33 WeakPolarHBondContact O-CB 3.09Å; G30-N33 PolarHBondContact O-N 2.9Å; G30-I34 PolarHBondContact O-N 2.96Å
31S79.9Confident87Confident92 Ų9261.5 Ų61.564%0.64333%0.326SS*.G310 helixtrans-51.4-31.8179.852.70000114.4N33 I34S31-N33 PolarHBondContact O-N 2.67Å; S31-I34 PolarHBondContact O-N 2.75Å; S31-I34 VanDerWaalsContact O-N 3.16Å
32Q82.9Confident87Confident186 Ų18659.3 Ų59.387%0.86932%0.317SS*.G310 helixtrans-61.5-26.4175.4-63.4-177.1-0.700113.3G30G30-Q32 PolarHBondContact O-N 3.1Å; G30-Q32 VanDerWaalsContact O-N 3.09Å
33N85.5Confident87.1Confident61 Ų6159.8 Ų59.833%0.32632%0.318SS..G310 helixtrans-101.1-2.1-179.4-70.4-22.6000112.5G30 S31 G50 N54 V55G30-N33 WeakPolarHBondContact O-CA 3.24Å; G30-N33 WeakPolarHBondContact O-CB 3.09Å; G30-N33 PolarHBondContact O-N 2.9Å; S31-N33 PolarHBondContact O-N 2.67Å; N33-G50 WeakPolarHBondContact CB-O 3.46Å; N33-G50 PolarHBondContact ND2-O 2.91Å; N33-N54 CarbonylContact O-C 3.56Å; N33-N54 WeakPolarHBondContact O-CA 3.23Å; N33-N54 PolarHBondContact O-OD1 3.06Å; N33-V55 PolarHBondContact O-N 3.12Å
34I88.4Confident87.1Confident21 Ų2160.8 Ų60.811%0.10832%0.324CS..EExtended strand (participates in β ladder)trans-103.2116.4179.9-60.4169.7000108.3L28 C29 G30 S31 L36 I48 V55L28-I34 HydrophobicContact CB-CD1 3.94Å; L28-I34 HydrophobicContact CD2-CD1 4Å; L28-I34 HydrophobicContact CD2-CG2 4.21Å; C29-I34 VanDerWaalsContact O-CD1 3.26Å; C29-I34 WeakPolarHBondContact O-CD1 3.2Å; G30-I34 PolarHBondContact O-N 2.96Å; S31-I34 PolarHBondContact O-N 2.75Å; S31-I34 VanDerWaalsContact O-N 3.16Å; I34-L36 HydrophobicContact CG2-CD2 4.05Å; I34-L36 HydrophobicContact CG2-CG 4.04Å; I34-I48 HydrophobicContact CD1-CB 4.34Å; I34-I48 HydrophobicContact CD1-CG2 3.8Å; I34-I48 HydrophobicContact CG1-CG2 4.22Å; I34-I48 HydrophobicContact CG2-CG2 4.3Å; I34-V55 WeakPolarHBondContact CA-O 3.38Å; I34-V55 HydrophobicContact CG1-CB 4.44Å
35V89.1Confident87.2Confident61 Ų6156.3 Ų56.337%0.3731%0.313SS..EExtended strand (participates in β ladder)trans-108.7108.1176.9-175.60000108.4V55 R56 V57V35-V55 PolarHBondContact N-O 3.12Å; V35-R56 HydrophobicContact CB-CG 4.26Å; V35-R56 HydrophobicContact CG2-CG 4.45Å; V35-V57 PolarHBondContact O-N 2.77Å
36L88Confident87.3Confident36 Ų3651.4 Ų51.419%0.18829%0.29CS..EExtended strand (participates in β ladder)trans-100.3107.2173.2-61.1180000109.4N20 V22 I34 V57N20-L36 WeakPolarHBondContact ND2-CB 3.45Å; N20-L36 PolarHBondContact ND2-O 2.94Å; N20-L36 VanDerWaalsContact ND2-O 3.13Å; V22-L36 HydrophobicContact CG2-CD1 4.09Å; I34-L36 HydrophobicContact CG2-CD2 4.05Å; I34-L36 HydrophobicContact CG2-CG 4.04Å; L36-V57 HydrophobicContact CD2-CB 3.67Å; L36-V57 HydrophobicContact CD2-CG1 4.31Å; L36-V57 HydrophobicContact CD2-CG2 3.51Å
37N83.8Confident87.4Confident62 Ų6253.8 Ų53.833%0.33230%0.301SS..  trans-68.3153.6171-74.5-67.7000110.7N20 T40 V57 R59N20-N37 PolarHBondContact OD1-O 3.28Å; N37-T40 WeakPolarHBondContact O-CG2 3.47Å; N37-T40 PolarHBondContact O-OG1 3.46Å; N37-V57 VanDerWaalsContact CB-O 3.3Å; N37-V57 WeakPolarHBondContact CB-O 3.38Å; N37-V57 PolarHBondContact N-O 2.77Å; N37-V57 PolarHBondContact ND2-O 2.8Å; N37-R59 HydrophobicContact CB-CB 4.49Å; N37-R59 HydrophobicContact CB-CG 3.63Å
38G82.3Confident87.5Confident22 Ų2250.3 Ų50.323%0.22728%0.28CS..SBendtrans-53152.6-169.500000115.6S18 N20 T40 R59 H60S18-G38 WeakPolarHBondContact O-CA 3.16Å; N20-G38 WeakPolarHBondContact OD1-CA 3.32Å; G38-T40 VanDerWaalsContact C-N 3.33Å; G38-T40 PolarHBondContact O-N 2.81Å; G38-R59 WeakPolarHBondContact O-CA 3.42Å; G38-H60 PolarHBondContact O-N 2.79Å
39K88.3Confident87.4Confident125 Ų12552.6 Ų52.654%0.54328%0.284SS..SBendtrans63.629.2180-55.3174.4-179.8176.90114.9S18 G19 N20 H60S18-K39 PolarHBondContact O-N 2.84Å; G19-K39 WeakPolarHBondContact O-CA 3.19Å; N20-K39 PolarHBondContact OD1-N 2.69Å; K39-H60 WeakPolarHBondContact CD-CE1 3.36Å; K39-H60 WeakPolarHBondContact O-CA 3.11Å
40T90.1Very high87.2Confident2 Ų250.5 Ų50.51%0.01227%0.27CS..  trans-84.4145.5171.848.50000111.6N20 K21 N37 G38 V57 G58 C61N20-T40 CarbonylContact C-O 3.53Å; N20-T40 WeakPolarHBondContact CA-O 3.48Å; N20-T40 WeakPolarHBondContact CB-OG1 3.31Å; N20-T40 PolarHBondContact OD1-N 2.85Å; N20-T40 PolarHBondContact OD1-OG1 3.2Å; K21-T40 PolarHBondContact N-O 3.11Å; N37-T40 WeakPolarHBondContact O-CG2 3.47Å; N37-T40 PolarHBondContact O-OG1 3.46Å; G38-T40 VanDerWaalsContact C-N 3.33Å; G38-T40 PolarHBondContact O-N 2.81Å; T40-V57 HydrophobicContact CG2-CG1 3.85Å; T40-G58 WeakPolarHBondContact CG2-O 3.38Å; T40-C61 CarbonylContact C-O 3.58Å; T40-C61 VanDerWaalsContact CA-O 3.28Å; T40-C61 WeakPolarHBondContact CA-O 3.39Å; T40-C61 HydrophobicContact CG2-CB 3.97Å
41I90.3Very high87.1Confident56 Ų5652.2 Ų52.229%0.28727%0.272SS..EExtended strand (participates in β ladder)trans-121.4121.5179.8-55.4176.6000108.1K21 C61 V62 V63K21-I41 HydrophobicContact CB-CG1 4.46Å; K21-I41 HydrophobicContact CB-CG2 4.45Å; K21-I41 CarbonylContact O-C 3.58Å; K21-I41 WeakPolarHBondContact O-CA 3.49Å; I41-C61 PolarHBondContact N-O 2.85Å; I41-V62 HydrophobicContact CB-CG1 4.45Å; I41-V62 HydrophobicContact CD1-CG2 4.38Å; I41-V63 PolarHBondContact O-N 3.48Å
42V90.7Very high86.9Confident2 Ų251.9 Ų51.91%0.01226%0.262CS..EExtended strand (participates in β ladder)trans-116.9114.4176.4-177.70000108Y13 K21 V22 S23 C46 I48Y13-V42 VanDerWaalsContact CE1-O 3.31Å; Y13-V42 WeakPolarHBondContact CE1-O 3.36Å; K21-V42 PolarHBondContact O-N 3.23Å; V22-V42 HydrophobicContact CG1-CB 4.49Å; V22-V42 HydrophobicContact CG2-CG2 4.44Å; S23-V42 PolarHBondContact N-O 3Å; V42-C46 HydrophobicContact CG1-CB 3.46Å; V42-C46 VanDerWaalsContact CG1-CB 3.46Å; V42-I48 HydrophobicContact CG1-CD1 4.31Å; V42-I48 HydrophobicContact CG2-CD1 4.24Å
43M90.3Very high86.8Confident21 Ų2143.5 Ų43.510%0.10323%0.225CC..  trans-78-179.6-180-69.6-165.4169.300113.4L6 S23 C46 V63 K64 S65L6-M43 HydrophobicContact CD1-CE 4.09Å; L6-M43 HydrophobicContact CD2-CE 4.25Å; S23-M43 WeakPolarHBondContact CB-O 3.44Å; M43-C46 WeakPolarHBondContact O-CB 3.48Å; M43-V63 WeakPolarHBondContact CB-O 3.34Å; M43-V63 WeakPolarHBondContact CG-O 3.4Å; M43-V63 PolarHBondContact N-O 2.86Å; M43-K64 HydrophobicContact CE-CG 4.21Å; M43-K64 VanDerWaalsContact SD-CA 3.56Å; M43-K64 HydrophobicContact SD-CB 3.88Å; M43-K64 HydrophobicContact SD-CD 4.48Å; M43-K64 HydrophobicContact SD-CG 3.83Å; M43-S65 WeakPolarHBondContact CB-OG 3.4Å
44N89.3Confident86.7Confident23 Ų2343 Ų4312%0.12322%0.222CC..THydrogen-bonded Turntrans-65.3150.8-176.5-61.212.9000111.5E12 Y13 S23 Q25 C46 S65 R66E12-N44 PolarHBondContact OE2-ND2 2.81Å; Y13-N44 PolarHBondContact OH-OD1 2.92Å; S23-N44 WeakPolarHBondContact CB-OD1 3.37Å; S23-N44 WeakPolarHBondContact OG-CA 3.17Å; S23-N44 VanDerWaalsContact OG-CG 3.27Å; S23-N44 PolarHBondContact OG-OD1 3.47Å; Q25-N44 HydrophobicContact CB-CB 4.34Å; Q25-N44 PolarHBondContact OE1-ND2 3.31Å; N44-C46 PolarHBondContact O-N 2.81Å; N44-S65 WeakPolarHBondContact O-CA 3.36Å; N44-S65 VanDerWaalsContact O-CB 3.24Å; N44-S65 WeakPolarHBondContact O-CB 3.45Å; N44-R66 PolarHBondContact O-N 3.37Å
45D89.8Confident86.8Confident85 Ų8542 Ų4246%0.45522%0.217SC..THydrogen-bonded Turntrans56.616.3-179.7-51.5-47.6000115.3R66D45-R66 HydrophobicContact CB-CG 4.03Å; D45-R66 WeakPolarHBondContact O-CA 3.21Å
46C89.8Confident86.8Confident0 Ų044.6 Ų44.60%022%0.22CC..  trans-71136.4171-1050000110.4S26 V27 V42 M43 N44 V63 K64 S67S26-C46 CarbonylContact C-O 3.52Å; S26-C46 VanDerWaalsContact CA-O 3.23Å; S26-C46 WeakPolarHBondContact CA-O 3.15Å; S26-C46 WeakPolarHBondContact CB-O 3.3Å; V27-C46 PolarHBondContact N-O 2.84Å; V42-C46 HydrophobicContact CG1-CB 3.46Å; V42-C46 VanDerWaalsContact CG1-CB 3.46Å; M43-C46 WeakPolarHBondContact O-CB 3.48Å; N44-C46 PolarHBondContact O-N 2.81Å; C46-V63 WeakPolarHBondContact SG-CG1 3.31Å; C46-K64 PolarHBondContact SG-O 2.86Å; C46-S67 WeakPolarHBondContact CA-O 3.42Å
47I91.1Very high87Confident64 Ų6443 Ų4333%0.32821%0.212SC..EExtended strand (participates in β ladder)trans-118.2113.1177-57175.8000108.2V27 R49 S67 V68 I69V27-I47 HydrophobicContact CB-CG1 4.46Å; V27-I47 WeakPolarHBondContact O-CA 3.29Å; I47-R49 HydrophobicContact CG2-CG 3.95Å; I47-S67 PolarHBondContact N-O 2.86Å; I47-V68 HydrophobicContact CD1-CG2 4.48Å; I47-I69 PolarHBondContact O-N 2.84Å
48I89.9Confident87.3Confident1 Ų140.2 Ų40.21%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-113.8111.1175.8-52.9-173.5000108.4V27 L28 C29 I34 V42 V55 I69V27-I48 PolarHBondContact O-N 2.77Å; L28-I48 CarbonylContact C-O 3.46Å; L28-I48 WeakPolarHBondContact CA-O 3.38Å; L28-I48 HydrophobicContact CD2-CB 4.04Å; L28-I48 HydrophobicContact CD2-CD1 3.91Å; L28-I48 HydrophobicContact CD2-CG1 4.33Å; L28-I48 HydrophobicContact CD2-CG2 4.48Å; L28-I48 HydrophobicContact CG-CB 4.39Å; C29-I48 PolarHBondContact N-O 2.89Å; I34-I48 HydrophobicContact CD1-CB 4.34Å; I34-I48 HydrophobicContact CD1-CG2 3.8Å; I34-I48 HydrophobicContact CG1-CG2 4.22Å; I34-I48 HydrophobicContact CG2-CG2 4.3Å; V42-I48 HydrophobicContact CG1-CD1 4.31Å; V42-I48 HydrophobicContact CG2-CD1 4.24Å; I48-V55 HydrophobicContact CG2-CG1 4.14Å; I48-I69 HydrophobicContact CD1-CD1 4.1Å; I48-I69 HydrophobicContact CG1-CB 4.24Å; I48-I69 HydrophobicContact CG1-CD1 4.07Å; I48-I69 HydrophobicContact CG1-CG1 4.39Å; I48-I69 HydrophobicContact CG2-CB 4.37Å; I48-I69 HydrophobicContact CG2-CG2 4.38Å
49R86.4Confident87.7Confident108 Ų10846.4 Ų46.441%0.40821%0.214SC..EExtended strand (participates in β ladder)trans-100.697.3-178.1-68-170.869.1140.23.6111.6I47 D51 I69 P71I47-R49 HydrophobicContact CG2-CG 3.95Å; R49-D51 WeakPolarHBondContact CB-OD1 3.29Å; R49-D51 IonicContact CZ-OD2 2.69Å; R49-D51 IonicContact NE-OD1 3.61Å; R49-D51 IonicContact NE-OD2 3.57Å; R49-D51 IonicContact NH2-OD2 2.85Å; R49-D51 PolarHBondContact NH2-OD2 2.68Å; R49-I69 PolarHBondContact N-O 2.81Å; R49-P71 WeakPolarHBondContact O-CD 3.36Å; R49-P71 VanDerWaalsContact O-CG 3.28Å; R49-P71 WeakPolarHBondContact O-CG 3.28Å
50G83.2Confident87.8Confident0 Ų043.7 Ų43.70%020%0.204CC..  trans-978.9169.900000114.2C29 N33 L52 A53C29-G50 CarbonylContact O-C 3.53Å; C29-G50 WeakPolarHBondContact O-CA 3.44Å; C29-G50 PolarHBondContact O-N 3.03Å; N33-G50 WeakPolarHBondContact CB-O 3.46Å; N33-G50 PolarHBondContact ND2-O 2.91Å; G50-L52 VanDerWaalsContact C-N 3.32Å; G50-L52 PolarHBondContact O-N 3.03Å; G50-A53 CarbonylContact C-O 3.6Å; G50-A53 WeakPolarHBondContact CA-O 3.38Å
51D81.1Confident87.9Confident68 Ų6843.7 Ų43.736%0.36420%0.203SC..SBendtrans-62.9-36.8179.356.6-24.6000112.8C29 R49C29-D51 HydrophobicContact CB-CB 4.31Å; C29-D51 PolarHBondContact O-N 3.12Å; R49-D51 WeakPolarHBondContact CB-OD1 3.29Å; R49-D51 IonicContact CZ-OD2 2.69Å; R49-D51 IonicContact NE-OD1 3.61Å; R49-D51 IonicContact NE-OD2 3.57Å; R49-D51 IonicContact NH2-OD2 2.85Å; R49-D51 PolarHBondContact NH2-OD2 2.68Å
52L74.7Confident87.9Confident86 Ų8642.5 Ų42.545%0.4520%0.199SC..SBendtrans-97.3-30.4-174.2-65.2171000114.2G50 P71 F82G50-L52 VanDerWaalsContact C-N 3.32Å; G50-L52 PolarHBondContact O-N 3.03Å; L52-P71 HydrophobicContact CB-CG 4.43Å; L52-F82 HydrophobicContact CB-CD1 3.92Å; L52-F82 HydrophobicContact CB-CE1 3.74Å; L52-F82 HydrophobicContact CB-CZ 4.47Å; L52-F82 HydrophobicContact CD1-CE1 4.26Å; L52-F82 HydrophobicContact CD2-CE1 4.06Å; L52-F82 HydrophobicContact CD2-CZ 4.12Å; L52-F82 HydrophobicContact CG-CE1 4.24Å; L52-F82 WeakPolarHBondContact O-CG 3.38Å
53A80.5Confident88Confident10 Ų1042.5 Ų42.58%0.08320%0.199CC..SBendtrans-152.3164.7-179.500000111.1G50 P71 F82G50-A53 CarbonylContact C-O 3.6Å; G50-A53 WeakPolarHBondContact CA-O 3.38Å; A53-P71 HydrophobicContact CB-CB 3.5Å; A53-P71 VanDerWaalsContact CB-CB 3.5Å; A53-P71 HydrophobicContact CB-CG 3.82Å; A53-F82 HydrophobicContact CB-CB 3.89Å
54N84.1Confident88.1Confident50 Ų5043 Ų4327%0.26720%0.2SC..  trans-70.7129.7175.8-160.7-38.9000110.7N33 P84 L85N33-N54 CarbonylContact O-C 3.56Å; N33-N54 WeakPolarHBondContact O-CA 3.23Å; N33-N54 PolarHBondContact O-OD1 3.06Å; N54-P84 HydrophobicContact CB-CB 4.12Å; N54-P84 CarbonylContact O-C 3.47Å; N54-P84 WeakPolarHBondContact O-CA 3.49Å; N54-P84 VanDerWaalsContact O-CB 3.3Å; N54-P84 WeakPolarHBondContact O-CB 3.41Å; N54-L85 PolarHBondContact O-N 3.28Å
55V89.6Confident88.2Confident0 Ų042.9 Ų42.90%020%0.202CC..EExtended strand (participates in β ladder)trans-113.6115.9176.5177.30000107.9N33 I34 V35 I48 V57 I69 P71 L85N33-V55 PolarHBondContact O-N 3.12Å; I34-V55 WeakPolarHBondContact CA-O 3.38Å; I34-V55 HydrophobicContact CG1-CB 4.44Å; V35-V55 PolarHBondContact N-O 3.12Å; I48-V55 HydrophobicContact CG2-CG1 4.14Å; V55-V57 HydrophobicContact CG1-CG2 4.22Å; V55-I69 HydrophobicContact CG1-CG2 4.2Å; V55-P71 HydrophobicContact CG2-CG 4.45Å; V55-L85 HydrophobicContact CG1-CD2 4.06Å; V55-L85 HydrophobicContact CG1-CG 4.5Å; V55-L85 HydrophobicContact CG2-CB 4.35Å
56R90.1Very high88.2Confident115 Ų11544 Ų4443%0.43420%0.199SC..EExtended strand (participates in β ladder)trans-109.2122.3178.2-65.5-176.1174.9-177.2-2109.6V35 L85 H86 I87V35-R56 HydrophobicContact CB-CG 4.26Å; V35-R56 HydrophobicContact CG2-CG 4.45Å; R56-L85 PolarHBondContact N-O 2.85Å; R56-H86 WeakPolarHBondContact CD-NE2 3.43Å; R56-I87 PolarHBondContact O-N 2.86Å
57V90.9Very high88.2Confident2 Ų244 Ų441%0.01220%0.199CC..EExtended strand (participates in β ladder)trans-110.2125.6175.1-170.40000109V35 L36 N37 T40 V55 C61 I87V35-V57 PolarHBondContact O-N 2.77Å; L36-V57 HydrophobicContact CD2-CB 3.67Å; L36-V57 HydrophobicContact CD2-CG1 4.31Å; L36-V57 HydrophobicContact CD2-CG2 3.51Å; N37-V57 VanDerWaalsContact CB-O 3.3Å; N37-V57 WeakPolarHBondContact CB-O 3.38Å; N37-V57 PolarHBondContact N-O 2.77Å; N37-V57 PolarHBondContact ND2-O 2.8Å; T40-V57 HydrophobicContact CG2-CG1 3.85Å; V55-V57 HydrophobicContact CG1-CG2 4.22Å; V57-C61 HydrophobicContact CG1-CB 3.68Å; V57-I87 HydrophobicContact CG2-CD1 4.17Å
58G90.3Very high88.2Confident4 Ų442.9 Ų42.94%0.04120%0.196CC..  trans-69.8-178176.500000113T40 C61 I87 G88 D89T40-G58 WeakPolarHBondContact CG2-O 3.38Å; G58-C61 VanDerWaalsContact C-SG 3.6Å; G58-C61 PolarHBondContact O-SG 2.79Å; G58-I87 PolarHBondContact N-O 3.13Å; G58-G88 VanDerWaalsContact CA-O 3.27Å; G58-G88 WeakPolarHBondContact CA-O 3.42Å; G58-G88 PolarHBondContact N-O 2.85Å; G58-D89 WeakPolarHBondContact CA-OD1 3.47Å
59R91.6Very high88.2Confident152 Ų15242.9 Ų42.957%0.57420%0.195SC*.THydrogen-bonded Turntrans-75.6152.3-177.9-62.7173.5-175.3174.62110.2N37 G38 C61 D89 H90N37-R59 HydrophobicContact CB-CB 4.49Å; N37-R59 HydrophobicContact CB-CG 3.63Å; G38-R59 WeakPolarHBondContact O-CA 3.42Å; R59-C61 PolarHBondContact O-N 2.87Å; R59-C61 VanDerWaalsContact O-N 3.13Å; R59-D89 PolarHBondContact N-OD1 3.48Å; R59-D89 CarbonylContact O-C 3.59Å; R59-D89 WeakPolarHBondContact O-CA 3.45Å; R59-H90 PolarHBondContact O-N 3.48Å
60H90.6Very high88.1Confident69 Ų6942.3 Ų42.332%0.31919%0.193SC..THydrogen-bonded Turntrans57.527.4174.6-61.7-86.7000114.6G38 K39 H90G38-H60 PolarHBondContact O-N 2.79Å; K39-H60 WeakPolarHBondContact CD-CE1 3.36Å; K39-H60 WeakPolarHBondContact O-CA 3.11Å; H60-H90 AromaticContact CD2-CE1 3.7Å; H60-H90 AromaticContact CD2-NE2 3.78Å; H60-H90 AromaticContact CG-CE1 3.58Å
61C91.2Very high87.9Confident1 Ų142.7 Ų42.71%0.00720%0.196CC..  trans-82.2142.9174.5-54.90000111T40 I41 V57 G58 R59 G88 V91T40-C61 CarbonylContact C-O 3.58Å; T40-C61 VanDerWaalsContact CA-O 3.28Å; T40-C61 WeakPolarHBondContact CA-O 3.39Å; T40-C61 HydrophobicContact CG2-CB 3.97Å; I41-C61 PolarHBondContact N-O 2.85Å; V57-C61 HydrophobicContact CG1-CB 3.68Å; G58-C61 VanDerWaalsContact C-SG 3.6Å; G58-C61 PolarHBondContact O-SG 2.79Å; R59-C61 PolarHBondContact O-N 2.87Å; R59-C61 VanDerWaalsContact O-N 3.13Å; C61-G88 PolarHBondContact SG-O 2.78Å; C61-V91 CarbonylContact C-O 3.53Å; C61-V91 VanDerWaalsContact CA-O 3.24Å; C61-V91 WeakPolarHBondContact CA-O 3.39Å; C61-V91 HydrophobicContact CB-CB 4.45Å
62V91.8Very high87.5Confident31 Ų3139.7 Ų39.719%0.18818%0.18CC..EExtended strand (participates in β ladder)trans-120119.4175.7-176.40000108I41 V91 F92 I93I41-V62 HydrophobicContact CB-CG1 4.45Å; I41-V62 HydrophobicContact CD1-CG2 4.38Å; V62-V91 PolarHBondContact N-O 2.84Å; V62-F92 HydrophobicContact CB-CD1 4.07Å; V62-F92 HydrophobicContact CB-CE1 4.48Å; V62-F92 HydrophobicContact CG2-CD1 4.07Å; V62-F92 HydrophobicContact CG2-CE1 3.97Å; V62-I93 PolarHBondContact O-N 3.33Å
63V91.8Very high87.2Confident3 Ų338.9 Ų38.92%0.01817%0.173CC..EExtended strand (participates in β ladder)trans-112.4112.5176.1-164.80000108.2I41 M43 C46 I69 I93I41-V63 PolarHBondContact O-N 3.48Å; M43-V63 WeakPolarHBondContact CB-O 3.34Å; M43-V63 WeakPolarHBondContact CG-O 3.4Å; M43-V63 PolarHBondContact N-O 2.86Å; C46-V63 WeakPolarHBondContact SG-CG1 3.31Å; V63-I69 HydrophobicContact CG1-CD1 4.04Å; V63-I69 HydrophobicContact CG2-CD1 4.27Å; V63-I93 HydrophobicContact CG1-CB 4.32Å; V63-I93 HydrophobicContact CG1-CD1 4.45Å; V63-I93 HydrophobicContact CG1-CG2 4.4Å; V63-I93 HydrophobicContact CG2-CD1 4.27Å
64K92.1Very high86.1Confident31 Ų3141.1 Ų41.114%0.13518%0.181CC..  trans-78.9170.5-179.7-71-159-175.9175.10113.2M43 C46 S67 I93 E94 E95M43-K64 HydrophobicContact CE-CG 4.21Å; M43-K64 VanDerWaalsContact SD-CA 3.56Å; M43-K64 HydrophobicContact SD-CB 3.88Å; M43-K64 HydrophobicContact SD-CD 4.48Å; M43-K64 HydrophobicContact SD-CG 3.83Å; C46-K64 PolarHBondContact SG-O 2.86Å; K64-S67 WeakPolarHBondContact O-CB 3.49Å; K64-S67 PolarHBondContact O-N 3.24Å; K64-S67 PolarHBondContact O-OG 2.79Å; K64-I93 VanDerWaalsContact CB-O 3.32Å; K64-I93 WeakPolarHBondContact CB-O 3.48Å; K64-I93 WeakPolarHBondContact CG-O 3.4Å; K64-I93 PolarHBondContact N-O 2.88Å; K64-E94 WeakPolarHBondContact CD-OE2 3.39Å; K64-E94 WeakPolarHBondContact CE-OE1 3.24Å; K64-E94 WeakPolarHBondContact CE-OE2 3.04Å; K64-E94 IonicContact NZ-OE1 3.6Å; K64-E94 PolarHBondContact NZ-OE1 3.34Å; K64-E94 IonicContact NZ-OE2 2.79Å; K64-E94 PolarHBondContact NZ-OE2 3.5Å; K64-E95 HydrophobicContact CB-CB 4.46Å; K64-E95 HydrophobicContact CB-CG 3.72Å; K64-E95 HydrophobicContact CD-CG 3.81Å; K64-E95 HydrophobicContact CG-CG 4.43Å
65S90.9Very high84.8Confident21 Ų2146.5 Ų46.515%0.14720%0.202CC..THydrogen-bonded Turntrans-59.8152-171.1-53.30000113M43 N44 S67 E95 D96M43-S65 WeakPolarHBondContact CB-OG 3.4Å; N44-S65 WeakPolarHBondContact O-CA 3.36Å; N44-S65 VanDerWaalsContact O-CB 3.24Å; N44-S65 WeakPolarHBondContact O-CB 3.45Å; S65-S67 PolarHBondContact O-N 2.99Å; S65-E95 WeakPolarHBondContact O-CA 3.28Å; S65-D96 PolarHBondContact O-N 2.92Å
66R89.8Confident83.3Confident107 Ų10752.8 Ų52.840%0.40423%0.23SC..THydrogen-bonded Turntrans6013.1179.6-56.1-178.5-63.9-81.1-7.2115N44 D45 E95 D96N44-R66 PolarHBondContact O-N 3.37Å; D45-R66 HydrophobicContact CB-CG 4.03Å; D45-R66 WeakPolarHBondContact O-CA 3.21Å; R66-E95 IonicContact CZ-OE2 3.91Å; R66-E95 IonicContact NH2-OE2 2.92Å; R66-E95 PolarHBondContact NH2-OE2 3.2Å; R66-D96 VanDerWaalsContact CB-OD1 3.26Å; R66-D96 WeakPolarHBondContact CB-OD1 3.49Å; R66-D96 VanDerWaalsContact CD-OD1 3.32Å; R66-D96 WeakPolarHBondContact CD-OD1 3.44Å; R66-D96 IonicContact CZ-OD1 3.79Å; R66-D96 IonicContact CZ-OD2 3.32Å; R66-D96 VanDerWaalsContact NE-CG 3.29Å; R66-D96 IonicContact NE-OD1 2.78Å; R66-D96 PolarHBondContact NE-OD1 2.62Å; R66-D96 IonicContact NE-OD2 3.08Å; R66-D96 PolarHBondContact NE-OD2 2.91Å; R66-D96 VanDerWaalsContact NE-OD2 3.08Å; R66-D96 IonicContact NH2-OD1 3.94Å; R66-D96 IonicContact NH2-OD2 2.73Å; R66-D96 PolarHBondContact NH2-OD2 3.41Å
67S90.5Very high81.6Confident0 Ų053.3 Ų53.30%025%0.251CS..  trans-74134174.3-570000111.1C46 I47 K64 S65 E94 C97C46-S67 WeakPolarHBondContact CA-O 3.42Å; I47-S67 PolarHBondContact N-O 2.86Å; K64-S67 WeakPolarHBondContact O-CB 3.49Å; K64-S67 PolarHBondContact O-N 3.24Å; K64-S67 PolarHBondContact O-OG 2.79Å; S65-S67 PolarHBondContact O-N 2.99Å; S67-E94 PolarHBondContact OG-O 3.13Å; S67-E94 VanDerWaalsContact OG-O 3.12Å; S67-C97 CarbonylContact C-O 3.6Å; S67-C97 VanDerWaalsContact CA-O 3.29Å; S67-C97 WeakPolarHBondContact CA-O 3.18Å
68V91.3Very high80.3Confident42 Ų4263.4 Ų63.426%0.25529%0.294SS..EExtended strand (participates in β ladder)trans-111108.3178.5-176.80000109.3I47 C97 V99I47-V68 HydrophobicContact CD1-CG2 4.48Å; V68-C97 PolarHBondContact N-O 3.25Å; V68-V99 PolarHBondContact O-N 3.15Å
69I90.1Very high78.8Confident0 Ų065 Ų650%031%0.311CS..EExtended strand (participates in β ladder)trans-98110.7174.9-57-174.7000108.3I47 I48 R49 V55 V63 L85 I87 I93 V99I47-I69 PolarHBondContact O-N 2.84Å; I48-I69 HydrophobicContact CD1-CD1 4.1Å; I48-I69 HydrophobicContact CG1-CB 4.24Å; I48-I69 HydrophobicContact CG1-CD1 4.07Å; I48-I69 HydrophobicContact CG1-CG1 4.39Å; I48-I69 HydrophobicContact CG2-CB 4.37Å; I48-I69 HydrophobicContact CG2-CG2 4.38Å; R49-I69 PolarHBondContact N-O 2.81Å; V55-I69 HydrophobicContact CG1-CG2 4.2Å; V63-I69 HydrophobicContact CG1-CD1 4.04Å; V63-I69 HydrophobicContact CG2-CD1 4.27Å; I69-L85 HydrophobicContact CG2-CD2 3.17Å; I69-I87 HydrophobicContact CD1-CD1 4.29Å; I69-I93 HydrophobicContact CD1-CD1 4.47Å; I69-V99 HydrophobicContact CG1-CB 4.41Å
70R83.9Confident77.4Confident96 Ų9661.2 Ų61.236%0.36231%0.305SS..  trans-127.2127.817758.4-178.1170.7161.91.3110.8V99 N100R70-V99 PolarHBondContact N-O 2.82Å; R70-N100 WeakPolarHBondContact CD-OD1 3.4Å; R70-N100 WeakPolarHBondContact CG-OD1 3.44Å; R70-N100 PolarHBondContact NE-ND2 2.84Å; R70-N100 VanDerWaalsContact NE-ND2 3.2Å; R70-N100 PolarHBondContact NE-OD1 2.77Å; R70-N100 PolarHBondContact NH2-ND2 2.98Å; R70-N100 PolarHBondContact NH2-OD1 3.09Å; R70-N100 WeakPolarHBondContact O-CA 3.38Å
71P80.1Confident76.2Confident8 Ų859.8 Ų59.85%0.05231%0.305CS..  trans-65.3141.5178.822-30.7000110.8R49 L52 A53 V55 F73R49-P71 WeakPolarHBondContact O-CD 3.36Å; R49-P71 VanDerWaalsContact O-CG 3.28Å; R49-P71 WeakPolarHBondContact O-CG 3.28Å; L52-P71 HydrophobicContact CB-CG 4.43Å; A53-P71 HydrophobicContact CB-CB 3.5Å; A53-P71 VanDerWaalsContact CB-CB 3.5Å; A53-P71 HydrophobicContact CB-CG 3.82Å; V55-P71 HydrophobicContact CG2-CG 4.45Å; P71-F73 PolarHBondContact O-N 2.78Å
72P71.1Confident75Confident5 Ų563.8 Ų63.83%0.03232%0.323CS..  trans-70.5132176.626.1-31.4000111.1F83 N100 A101 A102P72-F83 HydrophobicContact CG-CB 4.21Å; P72-F83 PolarHBondContact O-N 2.99Å; P72-N100 WeakPolarHBondContact CB-O 3.2Å; P72-A101 VanDerWaalsContact CD-O 3.24Å; P72-A101 WeakPolarHBondContact CD-O 3.16Å; P72-A101 VanDerWaalsContact CG-O 3.29Å; P72-A101 WeakPolarHBondContact CG-O 3.44Å; P72-A102 HydrophobicContact CG-CB 4.46Å
73F68.3Low74.2Confident69 Ų6966.5 Ų66.530%0.30333%0.332SS..EExtended strand (participates in β ladder)trans-108.5141.1169.564.8-88.9000109.8P71 K75 V80 F82P71-F73 PolarHBondContact O-N 2.78Å; F73-K75 HydrophobicContact CD2-CG 4.11Å; F73-K75 HydrophobicContact CE2-CD 4.46Å; F73-K75 HydrophobicContact CE2-CG 4.17Å; F73-V80 HydrophobicContact CB-CG1 4.06Å; F73-F82 HydrophobicContact CB-CD1 3.71Å; F73-F82 HydrophobicContact CB-CE1 3.62Å
74K58.9Low73.7Confident58 Ų5869.5 Ų69.525%0.25235%0.352SS..EExtended strand (participates in β ladder)trans-111.3118.2168.3-172.1173.8-176.1170.50108.4F76 V80 A81 F83K74-F76 HydrophobicContact CD-CD2 3.77Å; K74-F76 HydrophobicContact CD-CE2 3.6Å; K74-F76 HydrophobicContact CG-CD2 4.03Å; K74-F76 HydrophobicContact CG-CE2 4.36Å; K74-F76 PolarHBondContact O-N 2.82Å; K74-V80 CarbonylContact O-C 3.56Å; K74-V80 WeakPolarHBondContact O-CA 3.06Å; K74-A81 PolarHBondContact N-O 2.88Å; K74-A81 PolarHBondContact O-N 3.12Å; K74-F83 HydrophobicContact CB-CE2 4.04Å; K74-F83 HydrophobicContact CD-CE2 4.43Å
75K56.9Low73.4Confident162 Ų16268 Ų6870%0.70435%0.345SS*.EExtended strand (participates in β ladder)trans-77.3112.8167-65.3-174.3177.6-176.40107.7F73 V80F73-K75 HydrophobicContact CD2-CG 4.11Å; F73-K75 HydrophobicContact CE2-CD 4.46Å; F73-K75 HydrophobicContact CE2-CG 4.17Å; K75-V80 HydrophobicContact CG-CG2 4.46Å
76F58Low73.4Confident133 Ų13370.8 Ų70.858%0.58336%0.356SS*.EExtended strand (participates in β ladder)trans-98.1154.5166.8-111.8-84.3000109.2K74 K78 G79K74-F76 HydrophobicContact CD-CD2 3.77Å; K74-F76 HydrophobicContact CD-CE2 3.6Å; K74-F76 HydrophobicContact CG-CD2 4.03Å; K74-F76 HydrophobicContact CG-CE2 4.36Å; K74-F76 PolarHBondContact O-N 2.82Å; F76-K78 PolarHBondContact O-N 2.93Å; F76-G79 CarbonylContact C-O 3.45Å; F76-G79 VanDerWaalsContact CA-O 3.27Å; F76-G79 WeakPolarHBondContact CA-O 3.46Å; F76-G79 WeakPolarHBondContact CB-O 3.4Å; F76-G79 PolarHBondContact N-O 2.96Å; F76-G79 PolarHBondContact O-N 2.89Å; F76-G79 VanDerWaalsContact O-N 3.11Å
77S54.8Low73.5Confident126 Ų12665.8 Ų65.888%0.88134%0.337SS*.THydrogen-bonded Turntrans-58.5-14.8-179.7-171.20000114.7
78K62.3Low73.6Confident213 Ų21366.3 Ų66.393%0.92634%0.342SS*.THydrogen-bonded Turntrans-121.16.1177.9-72.1-173.4176.3-178.40114.2F76F76-K78 PolarHBondContact O-N 2.93Å
79G59.9Low73.7Confident38 Ų3867.3 Ų67.339%0.39235%0.346SS..EExtended strand (participates in β ladder)trans164.4169.7-17900000113.8F76F76-G79 CarbonylContact C-O 3.45Å; F76-G79 VanDerWaalsContact CA-O 3.27Å; F76-G79 WeakPolarHBondContact CA-O 3.46Å; F76-G79 WeakPolarHBondContact CB-O 3.4Å; F76-G79 PolarHBondContact N-O 2.96Å; F76-G79 PolarHBondContact O-N 2.89Å; F76-G79 VanDerWaalsContact O-N 3.11Å
80V62.1Low73.8Confident72 Ų7270 Ų7044%0.43636%0.358SS..EExtended strand (participates in β ladder)trans-101.7116.9176.2-170.70000108.9F73 K74 K75 F82F73-V80 HydrophobicContact CB-CG1 4.06Å; K74-V80 CarbonylContact O-C 3.56Å; K74-V80 WeakPolarHBondContact O-CA 3.06Å; K75-V80 HydrophobicContact CG-CG2 4.46Å; V80-F82 HydrophobicContact CB-CE2 3.95Å; V80-F82 HydrophobicContact CB-CZ 4.17Å; V80-F82 HydrophobicContact CG1-CD2 4.28Å; V80-F82 HydrophobicContact CG1-CE1 4Å; V80-F82 HydrophobicContact CG1-CE2 3.72Å; V80-F82 HydrophobicContact CG1-CZ 3.57Å
81A64.7Low74.3Confident40 Ų4065.4 Ų65.433%0.33134%0.341SS..EExtended strand (participates in β ladder)trans-92.2117.5172.900000108.8K74 F83K74-A81 PolarHBondContact N-O 2.88Å; K74-A81 PolarHBondContact O-N 3.12Å; A81-F83 HydrophobicContact CB-CE2 4.25Å
82F66.2Low74.9Confident85 Ų8569.3 Ų69.337%0.37336%0.357SS..EExtended strand (participates in β ladder)trans-92.1123.7174.2-65.7-82.2000108.7L52 A53 F73 V80L52-F82 HydrophobicContact CB-CD1 3.92Å; L52-F82 HydrophobicContact CB-CE1 3.74Å; L52-F82 HydrophobicContact CB-CZ 4.47Å; L52-F82 HydrophobicContact CD1-CE1 4.26Å; L52-F82 HydrophobicContact CD2-CE1 4.06Å; L52-F82 HydrophobicContact CD2-CZ 4.12Å; L52-F82 HydrophobicContact CG-CE1 4.24Å; L52-F82 WeakPolarHBondContact O-CG 3.38Å; A53-F82 HydrophobicContact CB-CB 3.89Å; F73-F82 HydrophobicContact CB-CD1 3.71Å; F73-F82 HydrophobicContact CB-CE1 3.62Å; V80-F82 HydrophobicContact CB-CE2 3.95Å; V80-F82 HydrophobicContact CB-CZ 4.17Å; V80-F82 HydrophobicContact CG1-CD2 4.28Å; V80-F82 HydrophobicContact CG1-CE1 4Å; V80-F82 HydrophobicContact CG1-CE2 3.72Å; V80-F82 HydrophobicContact CG1-CZ 3.57Å
83F74.4Confident75.9Confident87 Ų8769.1 Ų69.138%0.38236%0.356SS..PPolyproline II helixtrans-94.5131.8172.9-70.3-89000108P72 K74 A81 L85P72-F83 HydrophobicContact CG-CB 4.21Å; P72-F83 PolarHBondContact O-N 2.99Å; K74-F83 HydrophobicContact CB-CE2 4.04Å; K74-F83 HydrophobicContact CD-CE2 4.43Å; A81-F83 HydrophobicContact CB-CE2 4.25Å; F83-L85 PolarHBondContact O-N 3.28Å
84P80.8Confident77.1Confident67 Ų6767 Ų6744%0.43535%0.347SS..PPolyproline II helixtrans-62140.1173.428.6-34.1000109N54N54-P84 HydrophobicContact CB-CB 4.12Å; N54-P84 CarbonylContact O-C 3.47Å; N54-P84 WeakPolarHBondContact O-CA 3.49Å; N54-P84 VanDerWaalsContact O-CB 3.3Å; N54-P84 WeakPolarHBondContact O-CB 3.41Å
85L87.4Confident78.7Confident0 Ų066.8 Ų66.80%035%0.347CS..EExtended strand (participates in β ladder)trans-82.4123.4171.2170.966.2000107.9N54 V55 R56 I69 F83 I87 V99 A101N54-L85 PolarHBondContact O-N 3.28Å; V55-L85 HydrophobicContact CG1-CD2 4.06Å; V55-L85 HydrophobicContact CG1-CG 4.5Å; V55-L85 HydrophobicContact CG2-CB 4.35Å; R56-L85 PolarHBondContact N-O 2.85Å; I69-L85 HydrophobicContact CG2-CD2 3.17Å; F83-L85 PolarHBondContact O-N 3.28Å; L85-I87 HydrophobicContact CD1-CG1 4.38Å; L85-I87 HydrophobicContact CD2-CD1 4.24Å; L85-I87 HydrophobicContact CD2-CG1 4.35Å; L85-I87 HydrophobicContact CG-CG1 4.14Å; L85-V99 HydrophobicContact CD1-CG1 4.22Å; L85-V99 HydrophobicContact CD2-CG1 4.2Å; L85-A101 HydrophobicContact CD1-CB 4.19Å; L85-A101 WeakPolarHBondContact CD1-O 3.14Å
86H89.9Confident80.4Confident79 Ų7961.7 Ų61.737%0.36633%0.328SS..EExtended strand (participates in β ladder)trans-111.2122.5175.2-142.7-72.8000110.1R56 A102 Q103 I104R56-H86 WeakPolarHBondContact CD-NE2 3.43Å; H86-A102 PolarHBondContact N-O 3.49Å; H86-Q103 HydrophobicContact CB-CG 4.4Å; H86-Q103 CarbonylContact O-C 3.54Å; H86-Q103 WeakPolarHBondContact O-CA 3.45Å; H86-I104 PolarHBondContact O-N 3.41Å
87I92.1Very high82Confident2 Ų255.4 Ų55.41%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-112.6128.1173-50-175.7000107.6R56 V57 G58 I69 L85 V91 I93 I104R56-I87 PolarHBondContact O-N 2.86Å; V57-I87 HydrophobicContact CG2-CD1 4.17Å; G58-I87 PolarHBondContact N-O 3.13Å; I69-I87 HydrophobicContact CD1-CD1 4.29Å; L85-I87 HydrophobicContact CD1-CG1 4.38Å; L85-I87 HydrophobicContact CD2-CD1 4.24Å; L85-I87 HydrophobicContact CD2-CG1 4.35Å; L85-I87 HydrophobicContact CG-CG1 4.14Å; I87-V91 HydrophobicContact CG2-CB 3.76Å; I87-V91 HydrophobicContact CG2-CG1 3.93Å; I87-V91 HydrophobicContact CG2-CG2 3.64Å; I87-I93 HydrophobicContact CD1-CD1 4.37Å; I87-I104 HydrophobicContact CD1-CD1 4.48Å; I87-I104 HydrophobicContact CG1-CD1 4.17Å; I87-I104 HydrophobicContact CG2-CB 4.43Å; I87-I104 HydrophobicContact CG2-CG2 4.49Å
88G92.5Very high83.7Confident10 Ų1051 Ų5110%0.10327%0.268CS..  trans-70.8-167.8178.600000113.4G58 C61 I104G58-G88 VanDerWaalsContact CA-O 3.27Å; G58-G88 WeakPolarHBondContact CA-O 3.42Å; G58-G88 PolarHBondContact N-O 2.85Å; C61-G88 PolarHBondContact SG-O 2.78Å; G88-I104 PolarHBondContact N-O 2.64Å
89D93.5Very high85.1Confident63 Ų6340.9 Ų40.934%0.33722%0.224SC..SBendtrans-88.7152.4179.1-56.7-58.8000111.1G58 R59 V91 S106 Y107G58-D89 WeakPolarHBondContact CA-OD1 3.47Å; R59-D89 PolarHBondContact N-OD1 3.48Å; R59-D89 CarbonylContact O-C 3.59Å; R59-D89 WeakPolarHBondContact O-CA 3.45Å; D89-V91 VanDerWaalsContact C-N 3.29Å; D89-V91 PolarHBondContact O-N 3.32Å; D89-S106 PolarHBondContact N-OG 3.14Å; D89-S106 CarbonylContact O-C 3.53Å; D89-S106 WeakPolarHBondContact O-CA 3.17Å; D89-S106 WeakPolarHBondContact O-CB 3.31Å; D89-Y107 PolarHBondContact O-N 3.44Å
90H92.9Very high86.3Confident56 Ų5639.6 Ų39.626%0.25921%0.208SC..SBendtrans56.439.6178.4-62.8-85.2000113.8R59 H60 F92 Y107R59-H90 PolarHBondContact O-N 3.48Å; H60-H90 AromaticContact CD2-CE1 3.7Å; H60-H90 AromaticContact CD2-NE2 3.78Å; H60-H90 AromaticContact CG-CE1 3.58Å; H90-F92 WeakPolarHBondContact O-CD2 3.5Å; H90-F92 WeakPolarHBondContact O-CE2 3.33Å; H90-Y107 HydrophobicContact CB-CD1 3.69Å; H90-Y107 HydrophobicContact CB-CE1 3.74Å; H90-Y107 HydrophobicContact CB-CG 4.2Å; H90-Y107 AromaticContact CD2-CE1 3.85Å; H90-Y107 AromaticContact CD2-CZ 3.69Å; H90-Y107 AromaticContact CG-CE1 3.72Å; H90-Y107 WeakPolarHBondContact O-CA 3.28Å
91V93Very high87.1Confident0 Ų036.1 Ų36.10%019%0.187CC..  trans-88.4130176.6-179.10000110.1C61 V62 I87 D89 I93 I104 G105 V108C61-V91 CarbonylContact C-O 3.53Å; C61-V91 VanDerWaalsContact CA-O 3.24Å; C61-V91 WeakPolarHBondContact CA-O 3.39Å; C61-V91 HydrophobicContact CB-CB 4.45Å; V62-V91 PolarHBondContact N-O 2.84Å; I87-V91 HydrophobicContact CG2-CB 3.76Å; I87-V91 HydrophobicContact CG2-CG1 3.93Å; I87-V91 HydrophobicContact CG2-CG2 3.64Å; D89-V91 VanDerWaalsContact C-N 3.29Å; D89-V91 PolarHBondContact O-N 3.32Å; V91-I93 HydrophobicContact CG1-CD1 4.37Å; V91-I93 HydrophobicContact CG1-CG1 3.89Å; V91-I104 HydrophobicContact CG1-CG2 4Å; V91-I104 HydrophobicContact CG2-CG2 4.03Å; V91-G105 VanDerWaalsContact CG2-O 3.31Å; V91-G105 WeakPolarHBondContact CG2-O 3.19Å; V91-V108 WeakPolarHBondContact CA-O 2.85Å; V91-V108 HydrophobicContact CG1-CB 4.37Å; V91-V108 HydrophobicContact CG2-CB 4.42Å
92F92.7Very high87.8Confident90 Ų9035.1 Ų35.140%0.39518%0.179SC..EExtended strand (participates in β ladder)trans-107.9116.6175.2-64.1-89.3000108.6V62 H90 V108 V110V62-F92 HydrophobicContact CB-CD1 4.07Å; V62-F92 HydrophobicContact CB-CE1 4.48Å; V62-F92 HydrophobicContact CG2-CD1 4.07Å; V62-F92 HydrophobicContact CG2-CE1 3.97Å; H90-F92 WeakPolarHBondContact O-CD2 3.5Å; H90-F92 WeakPolarHBondContact O-CE2 3.33Å; F92-V108 PolarHBondContact N-O 3.45Å; F92-V110 PolarHBondContact O-N 2.73Å
93I93Very high88.8Confident2 Ų236 Ų361%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-112.5113.6175.7-53.7176.8000107.3V62 V63 K64 I69 I87 V91 C97 V99 V110V62-I93 PolarHBondContact O-N 3.33Å; V63-I93 HydrophobicContact CG1-CB 4.32Å; V63-I93 HydrophobicContact CG1-CD1 4.45Å; V63-I93 HydrophobicContact CG1-CG2 4.4Å; V63-I93 HydrophobicContact CG2-CD1 4.27Å; K64-I93 VanDerWaalsContact CB-O 3.32Å; K64-I93 WeakPolarHBondContact CB-O 3.48Å; K64-I93 WeakPolarHBondContact CG-O 3.4Å; K64-I93 PolarHBondContact N-O 2.88Å; I69-I93 HydrophobicContact CD1-CD1 4.47Å; I87-I93 HydrophobicContact CD1-CD1 4.37Å; V91-I93 HydrophobicContact CG1-CD1 4.37Å; V91-I93 HydrophobicContact CG1-CG1 3.89Å; I93-C97 HydrophobicContact CG2-CB 3.52Å; I93-V99 HydrophobicContact CD1-CG2 4.24Å; I93-V99 HydrophobicContact CG2-CG2 4.37Å; I93-V110 HydrophobicContact CG1-CG2 4.41Å
94E93.9Very high89.7Confident25 Ų2531.9 Ų31.912%0.11717%0.166CC..  trans-74.3178.5178.5-75-71.8142.100113K64 S67 C97 V110 G111 K112K64-E94 WeakPolarHBondContact CD-OE2 3.39Å; K64-E94 WeakPolarHBondContact CE-OE1 3.24Å; K64-E94 WeakPolarHBondContact CE-OE2 3.04Å; K64-E94 IonicContact NZ-OE1 3.6Å; K64-E94 PolarHBondContact NZ-OE1 3.34Å; K64-E94 IonicContact NZ-OE2 2.79Å; K64-E94 PolarHBondContact NZ-OE2 3.5Å; S67-E94 PolarHBondContact OG-O 3.13Å; S67-E94 VanDerWaalsContact OG-O 3.12Å; E94-C97 PolarHBondContact O-SG 2.86Å; E94-V110 WeakPolarHBondContact CB-O 3.31Å; E94-V110 WeakPolarHBondContact CG-O 3.29Å; E94-V110 PolarHBondContact N-O 2.88Å; E94-G111 VanDerWaalsContact CB-C 3.48Å; E94-K112 HydrophobicContact CB-CB 4.3Å; E94-K112 HydrophobicContact CB-CG 3.65Å; E94-K112 HydrophobicContact CG-CG 4.11Å; E94-K112 WeakPolarHBondContact OE2-CE 3.02Å; E94-K112 WeakPolarHBondContact OE2-CG 3.24Å
95E92.2Very high90.3Very high52 Ų5229 Ų2924%0.24315%0.148CC..THydrogen-bonded Turntrans-65.2152.7-175.1-65.7171-131.500112.5K64 S65 R66 C97 K112 N113K64-E95 HydrophobicContact CB-CB 4.46Å; K64-E95 HydrophobicContact CB-CG 3.72Å; K64-E95 HydrophobicContact CD-CG 3.81Å; K64-E95 HydrophobicContact CG-CG 4.43Å; S65-E95 WeakPolarHBondContact O-CA 3.28Å; R66-E95 IonicContact CZ-OE2 3.91Å; R66-E95 IonicContact NH2-OE2 2.92Å; R66-E95 PolarHBondContact NH2-OE2 3.2Å; E95-C97 PolarHBondContact O-N 2.98Å; E95-C97 VanDerWaalsContact O-N 3.11Å; E95-K112 WeakPolarHBondContact O-CA 3.1Å; E95-N113 PolarHBondContact O-N 2.9Å
96D91.1Very high90.6Very high56 Ų5630.3 Ų30.330%0.29916%0.157SC..THydrogen-bonded Turntrans56.828174.3-62.5-67.5000114.1S65 R66 N113S65-D96 PolarHBondContact O-N 2.92Å; R66-D96 VanDerWaalsContact CB-OD1 3.26Å; R66-D96 WeakPolarHBondContact CB-OD1 3.49Å; R66-D96 VanDerWaalsContact CD-OD1 3.32Å; R66-D96 WeakPolarHBondContact CD-OD1 3.44Å; R66-D96 IonicContact CZ-OD1 3.79Å; R66-D96 IonicContact CZ-OD2 3.32Å; R66-D96 VanDerWaalsContact NE-CG 3.29Å; R66-D96 IonicContact NE-OD1 2.78Å; R66-D96 PolarHBondContact NE-OD1 2.62Å; R66-D96 IonicContact NE-OD2 3.08Å; R66-D96 PolarHBondContact NE-OD2 2.91Å; R66-D96 VanDerWaalsContact NE-OD2 3.08Å; R66-D96 IonicContact NH2-OD1 3.94Å; R66-D96 IonicContact NH2-OD2 2.73Å; R66-D96 PolarHBondContact NH2-OD2 3.41Å; D96-N113 WeakPolarHBondContact CB-OD1 3.48Å
97C91.8Very high90.7Very high1 Ų133.2 Ų33.21%0.00717%0.166CC..  trans-84.4137.8178.9-72.20000112.2S67 V68 I93 E94 E95 G111 C114S67-C97 CarbonylContact C-O 3.6Å; S67-C97 VanDerWaalsContact CA-O 3.29Å; S67-C97 WeakPolarHBondContact CA-O 3.18Å; V68-C97 PolarHBondContact N-O 3.25Å; I93-C97 HydrophobicContact CG2-CB 3.52Å; E94-C97 PolarHBondContact O-SG 2.86Å; E95-C97 PolarHBondContact O-N 2.98Å; E95-C97 VanDerWaalsContact O-N 3.11Å; C97-G111 PolarHBondContact SG-O 3.39Å; C97-C114 CarbonylContact C-O 3.4Å; C97-C114 WeakPolarHBondContact CA-O 3.38Å
98V91.7Very high90.8Very high34 Ų3433.1 Ų33.121%0.20617%0.165CC..EExtended strand (participates in β ladder)trans-110.3110.8173.8-178.90000109.4N100 C114 V115 I116V98-N100 WeakPolarHBondContact CG1-OD1 3.42Å; V98-C114 PolarHBondContact N-O 2.77Å; V98-V115 HydrophobicContact CB-CG1 4.47Å; V98-I116 PolarHBondContact O-N 2.85Å
99V90.9Very high90.8Very high0 Ų035.6 Ų35.60%017%0.174CC..EExtended strand (participates in β ladder)trans-105.2110.2-176-1790000110.8V68 I69 R70 L85 I93 A101 I104 I116V68-V99 PolarHBondContact O-N 3.15Å; I69-V99 HydrophobicContact CG1-CB 4.41Å; R70-V99 PolarHBondContact N-O 2.82Å; L85-V99 HydrophobicContact CD1-CG1 4.22Å; L85-V99 HydrophobicContact CD2-CG1 4.2Å; I93-V99 HydrophobicContact CD1-CG2 4.24Å; I93-V99 HydrophobicContact CG2-CG2 4.37Å; V99-A101 HydrophobicContact CG1-CB 4.44Å; V99-I104 HydrophobicContact CG1-CD1 3.63Å; V99-I116 HydrophobicContact CG1-CD1 4.26Å; V99-I116 HydrophobicContact CG2-CD1 4.05Å
100N86Confident90.7Very high10 Ų1032.6 Ų32.65%0.05316%0.158CC..  trans-120.715.5173-50.92.6000112.8R70 P72 V98 I116 G117 R118 R119R70-N100 WeakPolarHBondContact CD-OD1 3.4Å; R70-N100 WeakPolarHBondContact CG-OD1 3.44Å; R70-N100 PolarHBondContact NE-ND2 2.84Å; R70-N100 VanDerWaalsContact NE-ND2 3.2Å; R70-N100 PolarHBondContact NE-OD1 2.77Å; R70-N100 PolarHBondContact NH2-ND2 2.98Å; R70-N100 PolarHBondContact NH2-OD1 3.09Å; R70-N100 WeakPolarHBondContact O-CA 3.38Å; P72-N100 WeakPolarHBondContact CB-O 3.2Å; V98-N100 WeakPolarHBondContact CG1-OD1 3.42Å; N100-I116 WeakPolarHBondContact CB-O 3.42Å; N100-G117 CarbonylContact C-O 3.46Å; N100-R118 HydrophobicContact CB-CG 4.41Å; N100-R119 PolarHBondContact O-N 3.34Å
101A77.5Confident90.7Very high0 Ų029.9 Ų29.90%015%0.146CC..  trans-59.8155.5-175.100000110.9P72 L85 V99 I104 I116 C120 L122P72-A101 VanDerWaalsContact CD-O 3.24Å; P72-A101 WeakPolarHBondContact CD-O 3.16Å; P72-A101 VanDerWaalsContact CG-O 3.29Å; P72-A101 WeakPolarHBondContact CG-O 3.44Å; L85-A101 HydrophobicContact CD1-CB 4.19Å; L85-A101 WeakPolarHBondContact CD1-O 3.14Å; V99-A101 HydrophobicContact CG1-CB 4.44Å; A101-I104 HydrophobicContact CB-CD1 4.19Å; A101-I104 HydrophobicContact CB-CG1 3.81Å; A101-I116 HydrophobicContact CB-CG2 3.71Å; A101-C120 HydrophobicContact CB-CB 4.42Å; A101-L122 HydrophobicContact CB-CD1 4.1Å
102A79.7Confident90.7Very high19 Ų1934 Ų3416%0.15716%0.164CC..SBendtrans-77.6-42.3163.700000110P72 H86 R119 C120P72-A102 HydrophobicContact CG-CB 4.46Å; H86-A102 PolarHBondContact N-O 3.49Å; A102-R119 HydrophobicContact CB-CG 4.08Å; A102-C120 PolarHBondContact N-O 3.18Å
103Q88.6Confident90.6Very high102 Ų10233.5 Ų33.548%0.47717%0.165SC..EExtended strand (participates in β ladder)trans-146.8132.7-174.9-174173.48.500110.4H86 C120 V121 L122H86-Q103 HydrophobicContact CB-CG 4.4Å; H86-Q103 CarbonylContact O-C 3.54Å; H86-Q103 WeakPolarHBondContact O-CA 3.45Å; Q103-C120 PolarHBondContact N-O 3Å; Q103-V121 WeakPolarHBondContact O-CA 3.45Å; Q103-L122 PolarHBondContact O-N 3.43Å
104I92.8Very high90.5Very high2 Ų233.5 Ų33.51%0.0117%0.165CC..EExtended strand (participates in β ladder)trans-115.2124.3169-61.1165000107.2H86 I87 G88 V91 V99 A101 V108 I116 L122H86-I104 PolarHBondContact O-N 3.41Å; I87-I104 HydrophobicContact CD1-CD1 4.48Å; I87-I104 HydrophobicContact CG1-CD1 4.17Å; I87-I104 HydrophobicContact CG2-CB 4.43Å; I87-I104 HydrophobicContact CG2-CG2 4.49Å; G88-I104 PolarHBondContact N-O 2.64Å; V91-I104 HydrophobicContact CG1-CG2 4Å; V91-I104 HydrophobicContact CG2-CG2 4.03Å; V99-I104 HydrophobicContact CG1-CD1 3.63Å; A101-I104 HydrophobicContact CB-CD1 4.19Å; A101-I104 HydrophobicContact CB-CG1 3.81Å; I104-V108 HydrophobicContact CG2-CB 3.8Å; I104-V108 HydrophobicContact CG2-CG1 3.97Å; I104-V108 HydrophobicContact CG2-CG2 3.9Å; I104-I116 HydrophobicContact CD1-CD1 4.33Å; I104-L122 HydrophobicContact CG1-CD1 4.22Å; I104-L122 HydrophobicContact CG1-CD2 4.26Å; I104-L122 HydrophobicContact CG2-CB 4.48Å; I104-L122 HydrophobicContact CG2-CD2 4.34Å
105G92.8Very high90.4Very high6 Ų635 Ų356%0.06218%0.176CC..  trans-68-176176.300000113.1V91 V108 L122 D124V91-G105 VanDerWaalsContact CG2-O 3.31Å; V91-G105 WeakPolarHBondContact CG2-O 3.19Å; G105-V108 WeakPolarHBondContact O-CG2 3.28Å; G105-L122 PolarHBondContact N-O 3.39Å; G105-D124 WeakPolarHBondContact CA-OD1 3.19Å
106S93.7Very high90.3Very high27 Ų2732.5 Ų32.519%0.18916%0.164CC..THydrogen-bonded Turntrans-85.6153.5177-63.90000111.3D89 V108 D124 C125D89-S106 PolarHBondContact N-OG 3.14Å; D89-S106 CarbonylContact O-C 3.53Å; D89-S106 WeakPolarHBondContact O-CA 3.17Å; D89-S106 WeakPolarHBondContact O-CB 3.31Å; S106-V108 PolarHBondContact O-N 3.48Å; S106-D124 PolarHBondContact N-OD1 3.03Å; S106-D124 CarbonylContact O-C 3.5Å; S106-D124 VanDerWaalsContact O-CA 3.31Å; S106-D124 WeakPolarHBondContact O-CA 3.39Å; S106-C125 PolarHBondContact O-N 2.96Å
107Y92.8Very high90.2Very high140 Ų14030.3 Ų30.355%0.54915%0.154SC..THydrogen-bonded Turntrans5834.8-178.9-60.1-87.1000113.9D89 H90 C125D89-Y107 PolarHBondContact O-N 3.44Å; H90-Y107 HydrophobicContact CB-CD1 3.69Å; H90-Y107 HydrophobicContact CB-CE1 3.74Å; H90-Y107 HydrophobicContact CB-CG 4.2Å; H90-Y107 AromaticContact CD2-CE1 3.85Å; H90-Y107 AromaticContact CD2-CZ 3.69Å; H90-Y107 AromaticContact CG-CE1 3.72Å; H90-Y107 WeakPolarHBondContact O-CA 3.28Å; Y107-C125 WeakPolarHBondContact O-CA 3.36Å
108V92.9Very high89.9Confident0 Ų036.2 Ų36.20%018%0.177CC..  trans-89.4133.6177.3176.60000110V91 F92 I104 G105 S106 V110 L122 K123 C126V91-V108 WeakPolarHBondContact CA-O 2.85Å; V91-V108 HydrophobicContact CG1-CB 4.37Å; V91-V108 HydrophobicContact CG2-CB 4.42Å; F92-V108 PolarHBondContact N-O 3.45Å; I104-V108 HydrophobicContact CG2-CB 3.8Å; I104-V108 HydrophobicContact CG2-CG1 3.97Å; I104-V108 HydrophobicContact CG2-CG2 3.9Å; G105-V108 WeakPolarHBondContact O-CG2 3.28Å; S106-V108 PolarHBondContact O-N 3.48Å; V108-V110 HydrophobicContact CG1-CG2 4.04Å; V108-L122 HydrophobicContact CG1-CD2 3.75Å; V108-K123 VanDerWaalsContact CG2-O 3.26Å; V108-K123 WeakPolarHBondContact CG2-O 3.5Å; V108-C126 WeakPolarHBondContact CA-O 3.43Å; V108-C126 HydrophobicContact CG1-CB 4.42Å; V108-C126 HydrophobicContact CG2-CB 4.24Å
109H92.9Very high89.5Confident62 Ų6238.2 Ų38.229%0.28718%0.181SC..EExtended strand (participates in β ladder)trans-111.5111.1173.9-175.9-77.9000109.8C126 K127 I128H109-C126 PolarHBondContact N-O 2.8Å; H109-K127 HydrophobicContact CB-CG 4.25Å; H109-K127 CarbonylContact O-C 3.49Å; H109-K127 WeakPolarHBondContact O-CA 3.17Å; H109-I128 PolarHBondContact O-N 3.39Å
110V92.9Very high89.3Confident0 Ų038.2 Ų38.20%018%0.181CC..EExtended strand (participates in β ladder)trans-97117.2176.7-1730000108.6F92 I93 E94 V108 C114 I116 I128F92-V110 PolarHBondContact O-N 2.73Å; I93-V110 HydrophobicContact CG1-CG2 4.41Å; E94-V110 WeakPolarHBondContact CB-O 3.31Å; E94-V110 WeakPolarHBondContact CG-O 3.29Å; E94-V110 PolarHBondContact N-O 2.88Å; V108-V110 HydrophobicContact CG1-CG2 4.04Å; V110-C114 HydrophobicContact CG1-CB 3.65Å; V110-I116 HydrophobicContact CG1-CD1 4.33Å; V110-I116 HydrophobicContact CG2-CD1 4.32Å; V110-I128 HydrophobicContact CG1-CD1 4.38Å; V110-I128 HydrophobicContact CG2-CD1 4.31Å
111G91.9Very high89.6Confident0 Ų039.3 Ų39.30%019%0.188CC..PPolyproline II helixtrans-68.7168.217800000113.9E94 C97 C114 I128 D130E94-G111 VanDerWaalsContact CB-C 3.48Å; C97-G111 PolarHBondContact SG-O 3.39Å; G111-C114 VanDerWaalsContact O-CB 3.29Å; G111-C114 WeakPolarHBondContact O-CB 3.2Å; G111-C114 PolarHBondContact O-SG 2.79Å; G111-I128 WeakPolarHBondContact CA-O 3.39Å; G111-I128 PolarHBondContact N-O 3.22Å; G111-D130 WeakPolarHBondContact CA-OD1 3.27Å
112K93.3Very high90.3Very high87 Ų8739.4 Ų39.438%0.37819%0.188SC..THydrogen-bonded Turntrans-62.5149.8-177.5-65.2175.1-177.7-169.60111.6E94 E95 C114 D130 N131E94-K112 HydrophobicContact CB-CB 4.3Å; E94-K112 HydrophobicContact CB-CG 3.65Å; E94-K112 HydrophobicContact CG-CG 4.11Å; E94-K112 WeakPolarHBondContact OE2-CE 3.02Å; E94-K112 WeakPolarHBondContact OE2-CG 3.24Å; E95-K112 WeakPolarHBondContact O-CA 3.1Å; K112-C114 PolarHBondContact O-N 3.09Å; K112-D130 HydrophobicContact CB-CB 4.3Å; K112-D130 PolarHBondContact N-OD1 2.84Å; K112-D130 CarbonylContact O-C 3.51Å; K112-D130 WeakPolarHBondContact O-CA 3.29Å; K112-N131 PolarHBondContact O-N 3.07Å
113N90.7Very high90.9Very high79 Ų7942.9 Ų42.942%0.42220%0.199SC..THydrogen-bonded Turntrans54.427.7177.2-6331.1000113.2E95 D96 N131E95-N113 PolarHBondContact O-N 2.9Å; D96-N113 WeakPolarHBondContact CB-OD1 3.48Å; N113-N131 WeakPolarHBondContact CB-OD1 3.3Å
114C90.6Very high91.1Very high1 Ų141.8 Ų41.81%0.00720%0.197CC..  trans-81.1140.4179.2-81.50000111.5C97 V98 V110 G111 K112 I128 L129 T132C97-C114 CarbonylContact C-O 3.4Å; C97-C114 WeakPolarHBondContact CA-O 3.38Å; V98-C114 PolarHBondContact N-O 2.77Å; V110-C114 HydrophobicContact CG1-CB 3.65Å; G111-C114 VanDerWaalsContact O-CB 3.29Å; G111-C114 WeakPolarHBondContact O-CB 3.2Å; G111-C114 PolarHBondContact O-SG 2.79Å; K112-C114 PolarHBondContact O-N 3.09Å; C114-I128 HydrophobicContact CB-CG2 4.43Å; C114-I128 WeakPolarHBondContact SG-CG2 3.26Å; C114-L129 PolarHBondContact SG-O 2.93Å; C114-T132 VanDerWaalsContact CA-O 3.3Å; C114-T132 WeakPolarHBondContact CA-O 3.35Å
115V91.7Very high91.1Very high56 Ų5644 Ų4434%0.33921%0.212SC..EExtended strand (participates in β ladder)trans-114.8110.5173.9-178.40000108.8V98 T132 V133 L134V98-V115 HydrophobicContact CB-CG1 4.47Å; V115-T132 PolarHBondContact N-O 3.14Å; V115-V133 HydrophobicContact CB-CG1 4.23Å; V115-V133 HydrophobicContact CB-CG2 4.23Å; V115-V133 HydrophobicContact CG2-CG2 4.46Å; V115-L134 PolarHBondContact O-N 3.25Å
116I91.1Very high91Very high1 Ų143.8 Ų43.81%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-87.1118.7175.4-51.1-174.9000109.4V98 V99 N100 A101 I104 V110 C120 L122 L134V98-I116 PolarHBondContact O-N 2.85Å; V99-I116 HydrophobicContact CG1-CD1 4.26Å; V99-I116 HydrophobicContact CG2-CD1 4.05Å; N100-I116 WeakPolarHBondContact CB-O 3.42Å; A101-I116 HydrophobicContact CB-CG2 3.71Å; I104-I116 HydrophobicContact CD1-CD1 4.33Å; V110-I116 HydrophobicContact CG1-CD1 4.33Å; V110-I116 HydrophobicContact CG2-CD1 4.32Å; I116-C120 HydrophobicContact CG2-CB 3.67Å; I116-L122 HydrophobicContact CD1-CD2 4.25Å; I116-L122 HydrophobicContact CG2-CD1 4.09Å; I116-L134 HydrophobicContact CB-CD1 4.47Å; I116-L134 HydrophobicContact CG1-CD1 4.26Å; I116-L134 HydrophobicContact CG2-CD1 3.99Å
117G87.6Confident90.9Very high9 Ų947.5 Ų47.59%0.09322%0.222CC..PPolyproline II helixtrans-59.8163.817700000113.6N100 R119 C120 L134N100-G117 CarbonylContact C-O 3.46Å; G117-R119 PolarHBondContact O-N 3.16Å; G117-C120 VanDerWaalsContact CA-SG 3.5Å; G117-C120 PolarHBondContact N-SG 2.8Å; G117-C120 VanDerWaalsContact N-SG 3.44Å; G117-C120 PolarHBondContact O-N 2.66Å; G117-C120 PolarHBondContact O-SG 2.84Å; G117-L134 WeakPolarHBondContact CA-O 3.44Å; G117-L134 PolarHBondContact N-O 3.17Å
118R85Confident90.8Very high126 Ų12641 Ų4148%0.47520%0.197SC..THydrogen-bonded Turntrans-65.3134177.4-67.1177.3176.1146.10.5110.1N100 C120 P136 E137N100-R118 HydrophobicContact CB-CG 4.41Å; R118-C120 PolarHBondContact O-N 3.25Å; R118-P136 HydrophobicContact CB-CB 4.32Å; R118-P136 CarbonylContact O-C 3.59Å; R118-P136 VanDerWaalsContact O-CA 3.28Å; R118-P136 WeakPolarHBondContact O-CA 3.41Å; R118-E137 PolarHBondContact O-N 2.94Å
119R83.5Confident90.8Very high76 Ų7644.2 Ų44.229%0.28721%0.214SC..THydrogen-bonded Turntrans62.323.5175.5-146.3-173.6-52151.623.4113.7N100 A102 G117 E137N100-R119 PolarHBondContact O-N 3.34Å; A102-R119 HydrophobicContact CB-CG 4.08Å; G117-R119 PolarHBondContact O-N 3.16Å; R119-E137 HydrophobicContact CB-CG 4.31Å; R119-E137 IonicContact CZ-OE1 2.98Å; R119-E137 IonicContact NE-OE1 3.86Å; R119-E137 IonicContact NH1-OE1 2.68Å; R119-E137 PolarHBondContact NH1-OE1 3.48Å; R119-E137 IonicContact NH2-OE1 3.04Å; R119-E137 PolarHBondContact NH2-OE1 2.95Å
120C88.4Confident90.8Very high0 Ų045.4 Ų45.40%022%0.222CC..  trans-63.6144.3167.8-62.90000109.9A101 A102 Q103 I116 G117 R118 L122 P135 T138A101-C120 HydrophobicContact CB-CB 4.42Å; A102-C120 PolarHBondContact N-O 3.18Å; Q103-C120 PolarHBondContact N-O 3Å; I116-C120 HydrophobicContact CG2-CB 3.67Å; G117-C120 VanDerWaalsContact CA-SG 3.5Å; G117-C120 PolarHBondContact N-SG 2.8Å; G117-C120 VanDerWaalsContact N-SG 3.44Å; G117-C120 PolarHBondContact O-N 2.66Å; G117-C120 PolarHBondContact O-SG 2.84Å; R118-C120 PolarHBondContact O-N 3.25Å; C120-L122 HydrophobicContact CB-CD1 3.9Å; C120-P135 PolarHBondContact SG-O 3.45Å; C120-T138 CarbonylContact C-O 3.54Å; C120-T138 VanDerWaalsContact CA-O 3.24Å; C120-T138 WeakPolarHBondContact CA-O 3.24Å
121V90.5Very high90.7Very high33 Ų3350.3 Ų50.320%0.225%0.249CC..EExtended strand (participates in β ladder)trans-117.8108.1172.8-178.60000106.9Q103 T138 V139 V140Q103-V121 WeakPolarHBondContact O-CA 3.45Å; V121-T138 PolarHBondContact N-O 2.86Å; V121-V139 HydrophobicContact CB-CG2 4.44Å; V121-V139 WeakPolarHBondContact O-CA 3.3Å; V121-V140 PolarHBondContact O-N 3.24Å
122L92.3Very high90.6Very high1 Ų150.4 Ų50.41%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-93.2123.4172.6-63.567.6000107.4A101 Q103 I104 G105 V108 I116 C120 I128 L134 V140A101-L122 HydrophobicContact CB-CD1 4.1Å; Q103-L122 PolarHBondContact O-N 3.43Å; I104-L122 HydrophobicContact CG1-CD1 4.22Å; I104-L122 HydrophobicContact CG1-CD2 4.26Å; I104-L122 HydrophobicContact CG2-CB 4.48Å; I104-L122 HydrophobicContact CG2-CD2 4.34Å; G105-L122 PolarHBondContact N-O 3.39Å; V108-L122 HydrophobicContact CG1-CD2 3.75Å; I116-L122 HydrophobicContact CD1-CD2 4.25Å; I116-L122 HydrophobicContact CG2-CD1 4.09Å; C120-L122 HydrophobicContact CB-CD1 3.9Å; L122-I128 HydrophobicContact CD2-CD1 3.47Å; L122-I128 VanDerWaalsContact CD2-CD1 3.47Å; L122-I128 HydrophobicContact CD2-CG1 4.45Å; L122-I128 HydrophobicContact CG-CD1 4.4Å; L122-L134 HydrophobicContact CD1-CD1 4.2Å; L122-L134 HydrophobicContact CG-CD1 4.39Å; L122-V140 HydrophobicContact CG-CG2 4.33Å
123K92.9Very high90.5Very high92 Ų9248.6 Ų48.640%0.425%0.245SC..  trans-79.7-176.2174.9-65.4-71.2-174.9178.10110.8V108 C126 V140 P142V108-K123 VanDerWaalsContact CG2-O 3.26Å; V108-K123 WeakPolarHBondContact CG2-O 3.5Å; K123-C126 PolarHBondContact O-SG 3.19Å; K123-V140 WeakPolarHBondContact CB-O 3.11Å; K123-V140 WeakPolarHBondContact CG-O 3.27Å; K123-V140 PolarHBondContact N-O 2.88Å; K123-V140 VanDerWaalsContact N-O 3.09Å; K123-P142 HydrophobicContact CB-CB 3.9Å; K123-P142 HydrophobicContact CB-CG 4.38Å
124D93.7Very high90.4Very high79 Ų7945 Ų4542%0.42223%0.226SC..THydrogen-bonded Turntrans-73151-176.8-51.7-54000112G105 S106 C126 P142 F143G105-D124 WeakPolarHBondContact CA-OD1 3.19Å; S106-D124 PolarHBondContact N-OD1 3.03Å; S106-D124 CarbonylContact O-C 3.5Å; S106-D124 VanDerWaalsContact O-CA 3.31Å; S106-D124 WeakPolarHBondContact O-CA 3.39Å; D124-C126 PolarHBondContact O-N 2.96Å; D124-P142 WeakPolarHBondContact O-CA 3.45Å; D124-P142 WeakPolarHBondContact O-CB 3.44Å; D124-F143 PolarHBondContact O-N 2.85Å
125C91.3Very high90.3Very high50 Ų5047 Ų4734%0.33824%0.239SC..THydrogen-bonded Turntrans57.332.4177.2-60.20000114.2S106 Y107 F143S106-C125 PolarHBondContact O-N 2.96Å; Y107-C125 WeakPolarHBondContact O-CA 3.36Å; C125-F143 HydrophobicContact CB-CD1 3.6Å; C125-F143 HydrophobicContact CB-CE1 3.66Å; C125-F143 HydrophobicContact CB-CG 4.2Å; C125-F143 HydrophobicContact CB-CZ 4.3Å; C125-F143 WeakPolarHBondContact O-CA 3.26Å; C125-F143 PolarHBondContact O-N 2.88Å
126C90.5Very high90.2Very high1 Ų148.5 Ų48.51%0.00725%0.25CC..  trans-87.5143.5177.3-59.20000111.1V108 H109 K123 D124 V140 P141 T144V108-C126 WeakPolarHBondContact CA-O 3.43Å; V108-C126 HydrophobicContact CG1-CB 4.42Å; V108-C126 HydrophobicContact CG2-CB 4.24Å; H109-C126 PolarHBondContact N-O 2.8Å; K123-C126 PolarHBondContact O-SG 3.19Å; D124-C126 PolarHBondContact O-N 2.96Å; C126-V140 HydrophobicContact CB-CG1 3.76Å; C126-V140 VanDerWaalsContact SG-CG1 3.52Å; C126-P141 PolarHBondContact SG-O 3.18Å; C126-T144 WeakPolarHBondContact CA-O 3.49Å
127K91.8Very high89.9Confident105 Ų10554 Ų5446%0.45728%0.275SS..EExtended strand (participates in β ladder)trans-121.1122173.9-173.2172.5-175.5178.60109.9H109 T144 V145 F146H109-K127 HydrophobicContact CB-CG 4.25Å; H109-K127 CarbonylContact O-C 3.49Å; H109-K127 WeakPolarHBondContact O-CA 3.17Å; K127-T144 PolarHBondContact N-O 3.09Å; K127-V145 HydrophobicContact CB-CG1 4.35Å; K127-V145 HydrophobicContact CB-CG2 4.21Å; K127-V145 HydrophobicContact CG-CG1 4.49Å; K127-V145 CarbonylContact O-C 3.43Å; K127-V145 WeakPolarHBondContact O-CA 3.4Å; K127-F146 PolarHBondContact O-N 3.38Å
128I91.8Very high89.9Confident2 Ų254.6 Ų54.61%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-101.6126.8173.2-53.5178.6000106.8H109 V110 G111 C114 L122 T132 L134H109-I128 PolarHBondContact O-N 3.39Å; V110-I128 HydrophobicContact CG1-CD1 4.38Å; V110-I128 HydrophobicContact CG2-CD1 4.31Å; G111-I128 WeakPolarHBondContact CA-O 3.39Å; G111-I128 PolarHBondContact N-O 3.22Å; C114-I128 HydrophobicContact CB-CG2 4.43Å; C114-I128 WeakPolarHBondContact SG-CG2 3.26Å; L122-I128 HydrophobicContact CD2-CD1 3.47Å; L122-I128 VanDerWaalsContact CD2-CD1 3.47Å; L122-I128 HydrophobicContact CD2-CG1 4.45Å; L122-I128 HydrophobicContact CG-CD1 4.4Å; I128-T132 HydrophobicContact CG2-CG2 3.64Å; I128-L134 HydrophobicContact CD1-CD1 3.54Å; I128-L134 HydrophobicContact CD1-CG 4.4Å
129L93.1Very high90.2Very high68 Ų6852.8 Ų52.836%0.35628%0.28SS..PPolyproline II helixtrans-75.4162176.4-61.9-167.8000111.4C114 T132 V145 F146C114-L129 PolarHBondContact SG-O 2.93Å; L129-T132 WeakPolarHBondContact O-CB 3.17Å; L129-T132 PolarHBondContact O-N 2.83Å; L129-T132 PolarHBondContact O-OG1 2.85Å; L129-V145 HydrophobicContact CD1-CG1 4.32Å; L129-V145 HydrophobicContact CD2-CG1 3.76Å; L129-V145 HydrophobicContact CG-CG1 3.83Å; L129-F146 PolarHBondContact N-O 2.87Å
130D92.7Very high90.4Very high87 Ų8749.2 Ų49.247%0.46527%0.267SS..THydrogen-bonded Turntrans-59.9149.4178.5-49.3-45.1000111.7G111 K112 T132G111-D130 WeakPolarHBondContact CA-OD1 3.27Å; K112-D130 HydrophobicContact CB-CB 4.3Å; K112-D130 PolarHBondContact N-OD1 2.84Å; K112-D130 CarbonylContact O-C 3.51Å; K112-D130 WeakPolarHBondContact O-CA 3.29Å; D130-T132 PolarHBondContact O-N 2.75Å
131N90.1Very high90.5Very high104 Ų10452 Ų5256%0.55629%0.285SS*.THydrogen-bonded Turntrans5924.5-178.9-51.3-71.7000114.5K112 N113K112-N131 PolarHBondContact O-N 3.07Å; N113-N131 WeakPolarHBondContact CB-OD1 3.3Å
132T89.8Confident90.6Very high1 Ų153.3 Ų53.31%0.00629%0.294CS..  trans-88.6137.4-179.3-61.10000111.1C114 V115 I128 L129 D130 G148 A151C114-T132 VanDerWaalsContact CA-O 3.3Å; C114-T132 WeakPolarHBondContact CA-O 3.35Å; V115-T132 PolarHBondContact N-O 3.14Å; I128-T132 HydrophobicContact CG2-CG2 3.64Å; L129-T132 WeakPolarHBondContact O-CB 3.17Å; L129-T132 PolarHBondContact O-N 2.83Å; L129-T132 PolarHBondContact O-OG1 2.85Å; D130-T132 PolarHBondContact O-N 2.75Å; T132-G148 WeakPolarHBondContact CA-O 3.19Å; T132-G148 WeakPolarHBondContact CG2-O 3.49Å; T132-A151 HydrophobicContact CG2-CB 3.29Å
133V91.1Very high90.5Very high49 Ų4961.1 Ų61.130%0.29733%0.328SS..EExtended strand (participates in β ladder)trans-115.3108.9177.5179.70000109.4V115 P135 G148 C149 A151V115-V133 HydrophobicContact CB-CG1 4.23Å; V115-V133 HydrophobicContact CB-CG2 4.23Å; V115-V133 HydrophobicContact CG2-CG2 4.46Å; V133-P135 WeakPolarHBondContact O-CD 3.31Å; V133-G148 PolarHBondContact N-O 2.84Å; V133-G148 VanDerWaalsContact N-O 3.11Å; V133-C149 HydrophobicContact CB-CB 4.47Å; V133-C149 HydrophobicContact CG2-CB 4.29Å; V133-C149 VanDerWaalsContact CG2-SG 3.59Å; V133-A151 WeakPolarHBondContact O-CB 3.27Å; V133-A151 PolarHBondContact O-N 2.68Å
134L90Very high90.3Very high3 Ų358.7 Ų58.72%0.01632%0.322CS..EExtended strand (participates in β ladder)trans-78.3124.2174.6-73.2172000110V115 I116 G117 L122 I128 T138 V140 F146 A151V115-L134 PolarHBondContact O-N 3.25Å; I116-L134 HydrophobicContact CB-CD1 4.47Å; I116-L134 HydrophobicContact CG1-CD1 4.26Å; I116-L134 HydrophobicContact CG2-CD1 3.99Å; G117-L134 WeakPolarHBondContact CA-O 3.44Å; G117-L134 PolarHBondContact N-O 3.17Å; L122-L134 HydrophobicContact CD1-CD1 4.2Å; L122-L134 HydrophobicContact CG-CD1 4.39Å; I128-L134 HydrophobicContact CD1-CD1 3.54Å; I128-L134 HydrophobicContact CD1-CG 4.4Å; L134-T138 HydrophobicContact CD2-CG2 4.07Å; L134-V140 HydrophobicContact CD1-CG2 4.27Å; L134-V140 HydrophobicContact CD2-CG2 3.74Å; L134-F146 HydrophobicContact CD2-CB 4.47Å; L134-F146 HydrophobicContact CD2-CD1 3.52Å; L134-F146 HydrophobicContact CD2-CE1 4.15Å; L134-F146 HydrophobicContact CD2-CG 4.27Å; L134-A151 HydrophobicContact CD2-CB 3.77Å; L134-A151 HydrophobicContact CG-CB 4.42Å
135P88.5Confident90.1Very high44 Ų4459 Ų5929%0.28633%0.326SS..PPolyproline II helixtrans-59.4154.8172.2-2.46000111.6C120 V133 T138 P150C120-P135 PolarHBondContact SG-O 3.45Å; V133-P135 WeakPolarHBondContact O-CD 3.31Å; P135-T138 VanDerWaalsContact C-OG1 3.28Å; P135-T138 VanDerWaalsContact CB-OG1 3.31Å; P135-T138 WeakPolarHBondContact CB-OG1 3.22Å; P135-T138 WeakPolarHBondContact CD-OG1 3.11Å; P135-T138 WeakPolarHBondContact CG-OG1 3.5Å; P135-T138 VanDerWaalsContact O-CB 3.29Å; P135-T138 WeakPolarHBondContact O-CB 3.41Å; P135-T138 PolarHBondContact O-N 2.94Å; P135-T138 PolarHBondContact O-OG1 2.87Å; P135-P150 HydrophobicContact CG-CB 4.34Å
136P88.3Confident90Very high87 Ų8757.7 Ų57.757%0.56532%0.315SS*.THydrogen-bonded Turntrans-60.3149.1171.529.1-34.6000111.1R118 T138R118-P136 HydrophobicContact CB-CB 4.32Å; R118-P136 CarbonylContact O-C 3.59Å; R118-P136 VanDerWaalsContact O-CA 3.28Å; R118-P136 WeakPolarHBondContact O-CA 3.41Å; P136-T138 PolarHBondContact O-N 3.37Å; P136-T138 VanDerWaalsContact O-N 3.14Å
137E85.7Confident89.9Confident116 Ų11660.3 Ų60.354%0.54233%0.333SS..THydrogen-bonded Turntrans6213.7-179.2-53.4-173.9161.700114.6R118 R119R118-E137 PolarHBondContact O-N 2.94Å; R119-E137 HydrophobicContact CB-CG 4.31Å; R119-E137 IonicContact CZ-OE1 2.98Å; R119-E137 IonicContact NE-OE1 3.86Å; R119-E137 IonicContact NH1-OE1 2.68Å; R119-E137 PolarHBondContact NH1-OE1 3.48Å; R119-E137 IonicContact NH2-OE1 3.04Å; R119-E137 PolarHBondContact NH2-OE1 2.95Å
138T87.6Confident89.3Confident23 Ų2357 Ų5714%0.14133%0.329CS..  trans-69.3132.7175.1-570000110.7C120 V121 L134 P135 P136 V140 F146C120-T138 CarbonylContact C-O 3.54Å; C120-T138 VanDerWaalsContact CA-O 3.24Å; C120-T138 WeakPolarHBondContact CA-O 3.24Å; V121-T138 PolarHBondContact N-O 2.86Å; L134-T138 HydrophobicContact CD2-CG2 4.07Å; P135-T138 VanDerWaalsContact C-OG1 3.28Å; P135-T138 VanDerWaalsContact CB-OG1 3.31Å; P135-T138 WeakPolarHBondContact CB-OG1 3.22Å; P135-T138 WeakPolarHBondContact CD-OG1 3.11Å; P135-T138 WeakPolarHBondContact CG-OG1 3.5Å; P135-T138 VanDerWaalsContact O-CB 3.29Å; P135-T138 WeakPolarHBondContact O-CB 3.41Å; P135-T138 PolarHBondContact O-N 2.94Å; P135-T138 PolarHBondContact O-OG1 2.87Å; P136-T138 PolarHBondContact O-N 3.37Å; P136-T138 VanDerWaalsContact O-N 3.14Å; T138-V140 HydrophobicContact CG2-CG2 4.33Å; T138-F146 HydrophobicContact CG2-CE1 3.98Å
139V89.8Confident88.7Confident88 Ų8861.6 Ų61.653%0.53336%0.36SS..EExtended strand (participates in β ladder)trans-105.2113.3170.7-176.80000107.7V121 P141V121-V139 HydrophobicContact CB-CG2 4.44Å; V121-V139 WeakPolarHBondContact O-CA 3.3Å; V139-P141 VanDerWaalsContact O-CD 3.27Å; V139-P141 WeakPolarHBondContact O-CD 3.34Å
140V88.8Confident87.4Confident0 Ų062.5 Ų62.50%037%0.37CS..EExtended strand (participates in β ladder)trans-87.9112.4174.4176.80000107.5V121 L122 K123 C126 L134 T138 F146V121-V140 PolarHBondContact O-N 3.24Å; L122-V140 HydrophobicContact CG-CG2 4.33Å; K123-V140 WeakPolarHBondContact CB-O 3.11Å; K123-V140 WeakPolarHBondContact CG-O 3.27Å; K123-V140 PolarHBondContact N-O 2.88Å; K123-V140 VanDerWaalsContact N-O 3.09Å; C126-V140 HydrophobicContact CB-CG1 3.76Å; C126-V140 VanDerWaalsContact SG-CG1 3.52Å; L134-V140 HydrophobicContact CD1-CG2 4.27Å; L134-V140 HydrophobicContact CD2-CG2 3.74Å; T138-V140 HydrophobicContact CG2-CG2 4.33Å; V140-F146 HydrophobicContact CB-CD2 4.32Å; V140-F146 HydrophobicContact CB-CE2 4.09Å; V140-F146 HydrophobicContact CB-CZ 4.22Å; V140-F146 HydrophobicContact CG1-CD2 3.51Å; V140-F146 HydrophobicContact CG1-CE2 3.54Å; V140-F146 HydrophobicContact CG1-CG 4.15Å; V140-F146 HydrophobicContact CG1-CZ 4.17Å; V140-F146 HydrophobicContact CG2-CD1 3.92Å; V140-F146 HydrophobicContact CG2-CD2 4.16Å; V140-F146 HydrophobicContact CG2-CE1 3.86Å; V140-F146 HydrophobicContact CG2-CE2 4.12Å; V140-F146 HydrophobicContact CG2-CG 4.06Å; V140-F146 HydrophobicContact CG2-CZ 3.96Å
141P90.1Very high86Confident59 Ų5958.6 Ų58.638%0.38335%0.349SS..  trans-63.8155.7176.922.2-30.6000112.4C126 V139 T144 F146C126-P141 PolarHBondContact SG-O 3.18Å; V139-P141 VanDerWaalsContact O-CD 3.27Å; V139-P141 WeakPolarHBondContact O-CD 3.34Å; P141-T144 HydrophobicContact CB-CG2 4.12Å; P141-T144 HydrophobicContact CG-CG2 3.62Å; P141-T144 PolarHBondContact O-OG1 2.78Å; P141-F146 HydrophobicContact CG-CE2 4.48Å
142P92.1Very high84.3Confident61 Ų6160.3 Ų60.340%0.39637%0.368SS..THydrogen-bonded Turntrans-66.1152.3-177.730.3-35.4000111.1K123 D124 T144K123-P142 HydrophobicContact CB-CB 3.9Å; K123-P142 HydrophobicContact CB-CG 4.38Å; D124-P142 WeakPolarHBondContact O-CA 3.45Å; D124-P142 WeakPolarHBondContact O-CB 3.44Å; P142-T144 PolarHBondContact O-N 2.87Å
143F91.5Very high84Confident164 Ų16463.3 Ų63.372%0.71939%0.386SS*.THydrogen-bonded Turntrans60.124.3179.9-52.3-84000115D124 C125D124-F143 PolarHBondContact O-N 2.85Å; C125-F143 HydrophobicContact CB-CD1 3.6Å; C125-F143 HydrophobicContact CB-CE1 3.66Å; C125-F143 HydrophobicContact CB-CG 4.2Å; C125-F143 HydrophobicContact CB-CZ 4.3Å; C125-F143 WeakPolarHBondContact O-CA 3.26Å; C125-F143 PolarHBondContact O-N 2.88Å
144T88.8Confident83.7Confident42 Ų4264.1 Ų64.126%0.25839%0.391SS..  trans-108.8152.1177.863.50000112.6C126 K127 P141 P142 F146C126-T144 WeakPolarHBondContact CA-O 3.49Å; K127-T144 PolarHBondContact N-O 3.09Å; P141-T144 HydrophobicContact CB-CG2 4.12Å; P141-T144 HydrophobicContact CG-CG2 3.62Å; P141-T144 PolarHBondContact O-OG1 2.78Å; P142-T144 PolarHBondContact O-N 2.87Å; T144-F146 WeakPolarHBondContact OG1-CE2 3.08Å
145V89.5Confident83.3Confident86 Ų8667.4 Ų67.452%0.52141%0.412SS..EExtended strand (participates in β ladder)trans-105.9120.8174.1-172.70000107.8K127 L129K127-V145 HydrophobicContact CB-CG1 4.35Å; K127-V145 HydrophobicContact CB-CG2 4.21Å; K127-V145 HydrophobicContact CG-CG1 4.49Å; K127-V145 CarbonylContact O-C 3.43Å; K127-V145 WeakPolarHBondContact O-CA 3.4Å; L129-V145 HydrophobicContact CD1-CG1 4.32Å; L129-V145 HydrophobicContact CD2-CG1 3.76Å; L129-V145 HydrophobicContact CG-CG1 3.83Å
146F89.1Confident83Confident22 Ų2268.8 Ų68.810%0.09642%0.419CS..EExtended strand (participates in β ladder)trans-101.3134.3176.5-90.9-119.6000109.5K127 L129 L134 T138 V140 P141 T144 A151K127-F146 PolarHBondContact O-N 3.38Å; L129-F146 PolarHBondContact N-O 2.87Å; L134-F146 HydrophobicContact CD2-CB 4.47Å; L134-F146 HydrophobicContact CD2-CD1 3.52Å; L134-F146 HydrophobicContact CD2-CE1 4.15Å; L134-F146 HydrophobicContact CD2-CG 4.27Å; T138-F146 HydrophobicContact CG2-CE1 3.98Å; V140-F146 HydrophobicContact CB-CD2 4.32Å; V140-F146 HydrophobicContact CB-CE2 4.09Å; V140-F146 HydrophobicContact CB-CZ 4.22Å; V140-F146 HydrophobicContact CG1-CD2 3.51Å; V140-F146 HydrophobicContact CG1-CE2 3.54Å; V140-F146 HydrophobicContact CG1-CG 4.15Å; V140-F146 HydrophobicContact CG1-CZ 4.17Å; V140-F146 HydrophobicContact CG2-CD1 3.92Å; V140-F146 HydrophobicContact CG2-CD2 4.16Å; V140-F146 HydrophobicContact CG2-CE1 3.86Å; V140-F146 HydrophobicContact CG2-CE2 4.12Å; V140-F146 HydrophobicContact CG2-CG 4.06Å; V140-F146 HydrophobicContact CG2-CZ 3.96Å; P141-F146 HydrophobicContact CG-CE2 4.48Å; T144-F146 WeakPolarHBondContact OG1-CE2 3.08Å; F146-A151 HydrophobicContact CB-CB 4.39Å; F146-A151 HydrophobicContact CD1-CB 3.8Å
147S88.2Confident82.7Confident55 Ų5567.7 Ų67.739%0.38541%0.41SS..  trans-146.8151.6178.870.50000111.5A151 C152S147-A151 WeakPolarHBondContact O-CA 3.22Å; S147-C152 PolarHBondContact O-N 3.11Å
148G78Confident82.5Confident36 Ų3664.5 Ų64.537%0.37140%0.402SS..BIsolated β-bridgetrans106.5173.2173.300000114.6T132 V133 P150 A151T132-G148 WeakPolarHBondContact CA-O 3.19Å; T132-G148 WeakPolarHBondContact CG2-O 3.49Å; V133-G148 PolarHBondContact N-O 2.84Å; V133-G148 VanDerWaalsContact N-O 3.11Å; G148-P150 VanDerWaalsContact C-C 3.42Å; G148-P150 CarbonylContact C-O 3.6Å; G148-P150 CarbonylContact O-C 3.38Å; G148-A151 WeakPolarHBondContact O-CA 3.39Å; G148-A151 PolarHBondContact O-N 3.04Å
149C79.3Confident82.1Confident99 Ų9967.4 Ų67.467%0.66942%0.42SS*.THydrogen-bonded Turntrans-134.793.8179.9-178.90000108.8V133V133-C149 HydrophobicContact CB-CB 4.47Å; V133-C149 HydrophobicContact CG2-CB 4.29Å; V133-C149 VanDerWaalsContact CG2-SG 3.59Å
150P66.3Low81.5Confident87 Ų8765.8 Ų65.857%0.56541%0.411SS*.THydrogen-bonded Turncis-74.9154.63.231.1-33.9000113.1P135 G148 C152P135-P150 HydrophobicContact CG-CB 4.34Å; G148-P150 VanDerWaalsContact C-C 3.42Å; G148-P150 CarbonylContact C-O 3.6Å; G148-P150 CarbonylContact O-C 3.38Å; P150-C152 PolarHBondContact O-N 2.98Å
151A64Low80.9Confident4 Ų471.3 Ų71.33%0.03345%0.446CS..BIsolated β-bridgetrans-65.6126178.200000110.8T132 V133 L134 F146 S147 G148T132-A151 HydrophobicContact CG2-CB 3.29Å; V133-A151 WeakPolarHBondContact O-CB 3.27Å; V133-A151 PolarHBondContact O-N 2.68Å; L134-A151 HydrophobicContact CD2-CB 3.77Å; L134-A151 HydrophobicContact CG-CB 4.42Å; F146-A151 HydrophobicContact CB-CB 4.39Å; F146-A151 HydrophobicContact CD1-CB 3.8Å; S147-A151 WeakPolarHBondContact O-CA 3.22Å; G148-A151 WeakPolarHBondContact O-CA 3.39Å; G148-A151 PolarHBondContact O-N 3.04Å
152C54.2Low80.1Confident141 Ų14172.5 Ų72.595%0.95345%0.451SS*.  trans-136.90174.3-71.20000110.5S147 P150S147-C152 PolarHBondContact O-N 3.11Å; P150-C152 PolarHBondContact O-N 2.98Å

Retrieved 152 of 152 residues in 387.2 ms (Link to these results)