A0A096NKV2_PAPAN Loading...

Interleukin 17 receptor E like

AlphaFold DB , UniProt , Accession A0A096NKV2, Species PAPAN (Papio anubis, Olive baboon), Gene IL17REL, Length 335 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
1M32.3Very low70.5Confident244 Ų24480.8 Ų80.8100%1.20243%0.433SS*.  0111.10-68.5-162.513800108R3M1-R3 PolarHBondContact O-N 3.24Å
2S42.6Very low71.6Confident124 Ų12481.8 Ų81.887%0.86743%0.427SS*.  trans-70.5112.7-178.155.10000109.5S4S2-S4 PolarHBondContact O-N 3.28Å
3R55.3Low72.5Confident218 Ų21879.4 Ų79.482%0.82342%0.418SS*.  trans-65.6121.5168.8-73.5-177.5175.9176.6-1.6107.7M1 V5M1-R3 PolarHBondContact O-N 3.24Å; R3-V5 PolarHBondContact O-N 2.99Å
4S66.5Low72.9Confident71 Ų7174.9 Ų74.950%0.49740%0.398SS..  trans-67.3121.1175.950.90000109.5S2 L6 T34S2-S4 PolarHBondContact O-N 3.28Å; S4-L6 VanDerWaalsContact C-N 3.3Å; S4-L6 WeakPolarHBondContact CB-O 3.11Å; S4-L6 PolarHBondContact O-N 3.43Å; S4-T34 PolarHBondContact O-OG1 2.91Å
5V77.3Confident73.2Confident12 Ų1277.9 Ų77.97%0.07341%0.411CS..SBendtrans-66-35.7179.8179.80000111.2R3 I33 T34 H36 L39 T95 F99 V102R3-V5 PolarHBondContact O-N 2.99Å; V5-I33 CarbonylContact O-C 3.58Å; V5-I33 VanDerWaalsContact O-CA 3.31Å; V5-I33 WeakPolarHBondContact O-CA 3.42Å; V5-T34 WeakPolarHBondContact CA-OG1 3.49Å; V5-T34 PolarHBondContact O-N 2.89Å; V5-H36 HydrophobicContact CG1-CB 4.2Å; V5-H36 HydrophobicContact CG2-CB 3.93Å; V5-L39 HydrophobicContact CG1-CD1 4.27Å; V5-L39 HydrophobicContact CG1-CD2 4.08Å; V5-T95 HydrophobicContact CG1-CG2 4.29Å; V5-F99 HydrophobicContact CG2-CD2 4.41Å; V5-F99 HydrophobicContact CG2-CE2 4.45Å; V5-V102 HydrophobicContact CB-CG1 4.07Å
6L78.6Confident73.5Confident11 Ų1178.9 Ų78.96%0.05841%0.413CS..EExtended strand (participates in β ladder)trans-101.6128.3171.1-57.1177.9000108.6S4 I33 L42 L93 T95 V102 L104S4-L6 VanDerWaalsContact C-N 3.3Å; S4-L6 WeakPolarHBondContact CB-O 3.11Å; S4-L6 PolarHBondContact O-N 3.43Å; L6-I33 HydrophobicContact CD2-CG2 3.51Å; L6-L42 HydrophobicContact CD2-CD2 3.78Å; L6-L93 HydrophobicContact CD1-CD2 4.34Å; L6-L93 HydrophobicContact CD2-CD2 3.88Å; L6-L93 HydrophobicContact CD2-CG 4.47Å; L6-T95 HydrophobicContact CD1-CG2 4.47Å; L6-T95 HydrophobicContact CD2-CG2 4.2Å; L6-T95 HydrophobicContact CG-CG2 4.3Å; L6-V102 HydrophobicContact CB-CG1 4.47Å; L6-V102 HydrophobicContact CD1-CG1 3.95Å; L6-V102 HydrophobicContact CG-CG1 3.82Å; L6-L104 HydrophobicContact CB-CD1 3.71Å; L6-L104 HydrophobicContact CB-CG 3.86Å; L6-L104 HydrophobicContact CD1-CG 4.08Å
7E81.1Confident73.7Confident82 Ų8278.6 Ų78.638%0.38342%0.418SS..EExtended strand (participates in β ladder)trans-108.3-46.3-177.1-65-176.1153.800112.5S32 T34 Q73E7-S32 PolarHBondContact N-O 2.72Å; E7-T34 HydrophobicContact CG-CG2 4.22Å; E7-T34 WeakPolarHBondContact OE1-CG2 3.45Å; E7-Q73 WeakPolarHBondContact OE2-CG 3.29Å; E7-Q73 PolarHBondContact OE2-NE2 3.11Å
8A82.9Confident74Confident41 Ų4179.2 Ų79.234%0.33942%0.42SS..EExtended strand (participates in β ladder)trans-147.4142.7-176.200000111.5A31 S32A8-A31 WeakPolarHBondContact O-CA 3.26Å; A8-S32 PolarHBondContact N-O 2.71Å; A8-S32 PolarHBondContact O-N 3.03Å
9L87.5Confident73.5Confident22 Ų2282.4 Ų82.412%0.11545%0.446CS..EExtended strand (participates in β ladder)trans-120.7126.1171.8-179.664.7000107.8V29 V91 L93 L104 Q106L9-V29 HydrophobicContact CD1-CG1 3.32Å; L9-V91 HydrophobicContact CD2-CG1 4.44Å; L9-L93 HydrophobicContact CD1-CB 4.11Å; L9-L93 HydrophobicContact CD1-CD2 4.18Å; L9-L93 HydrophobicContact CD2-CB 4.38Å; L9-L104 HydrophobicContact CB-CB 3.93Å; L9-L104 HydrophobicContact CB-CD1 3.84Å; L9-L104 HydrophobicContact CD2-CB 3.99Å; L9-Q106 HydrophobicContact CD2-CB 3.94Å
10T86.2Confident73.3Confident47 Ų4783.4 Ų83.429%0.28846%0.459SS..EExtended strand (participates in β ladder)trans-132.4129.5176.346.90000109R30T10-R30 PolarHBondContact N-O 3.24Å; T10-R30 PolarHBondContact O-N 3.42Å; T10-R30 WeakPolarHBondContact OG1-CB 3.38Å; T10-R30 PolarHBondContact OG1-NE 2.68Å; T10-R30 PolarHBondContact OG1-O 2.98Å; T10-R30 VanDerWaalsContact OG1-O 3.09Å
11S85.4Confident72.7Confident17 Ų1786 Ų8612%0.11947%0.473CS..EExtended strand (participates in β ladder)trans-120.2141.4177.651.40000110.3R28 Q106 H108S11-R28 WeakPolarHBondContact CA-O 3.05Å; S11-Q106 PolarHBondContact OG-OE1 2.8Å; S11-H108 PolarHBondContact OG-ND1 2.83Å
12Y82.9Confident74.5Confident93 Ų9376.4 Ų76.437%0.36544%0.436SS..EExtended strand (participates in β ladder)trans-149.7147.3178.561.4-86.3000110.7R28 R30Y12-R28 HydrophobicContact CD1-CB 4.38Å; Y12-R28 HydrophobicContact CD2-CB 4.13Å; Y12-R28 HydrophobicContact CE1-CB 3.94Å; Y12-R28 HydrophobicContact CE2-CB 3.68Å; Y12-R28 HydrophobicContact CE2-CG 4.21Å; Y12-R28 HydrophobicContact CG-CB 4.46Å; Y12-R28 PolarHBondContact N-O 2.95Å; Y12-R28 PolarHBondContact O-N 3.16Å; Y12-R28 WeakPolarHBondContact OH-CD 3.24Å; Y12-R30 HydrophobicContact CE1-CB 4.47Å
13T83.3Confident76.1Confident50 Ų5074.2 Ų74.231%0.30742%0.42SS..EExtended strand (participates in β ladder)trans-84.5135.8-179.8-47.50000109.9L25 H108 V110T13-L25 HydrophobicContact CG2-CB 4.49Å; T13-L25 HydrophobicContact CG2-CD2 4.11Å; T13-H108 PolarHBondContact OG1-NE2 3.11Å; T13-V110 HydrophobicContact CG2-CG1 3.97Å
14A79Confident77.3Confident17 Ų1767 Ų6714%0.1440%0.402CS..EExtended strand (participates in β ladder)trans-127.3146.1173.600000109.9F26 R28A14-F26 PolarHBondContact N-O 3.28Å; A14-F26 PolarHBondContact O-N 3.15Å; A14-F26 VanDerWaalsContact O-O 3.08Å; A14-R28 HydrophobicContact CB-CG 4.2Å
15M77.8Confident78Confident120 Ų12065.2 Ų65.259%0.59139%0.387SS*.EExtended strand (participates in β ladder)trans-103137.2174.6-172.5178.7-70.900109.3C23 S24 L25M15-C23 HydrophobicContact CG-CB 3.94Å; M15-C23 HydrophobicContact SD-CB 3.79Å; M15-S24 WeakPolarHBondContact CA-O 3.05Å; M15-L25 HydrophobicContact CB-CD2 4.01Å; M15-L25 HydrophobicContact CE-CD2 3.75Å; M15-L25 HydrophobicContact CG-CD2 4.23Å
16Q77.8Confident78.5Confident94 Ų9466.5 Ų66.544%0.43939%0.392SS..EExtended strand (participates in β ladder)trans-121.5119.8171-174.8173.79.400108.4C23 S24 F26Q16-C23 WeakPolarHBondContact O-CA 3.47Å; Q16-S24 PolarHBondContact N-O 3.1Å; Q16-S24 PolarHBondContact O-N 3.22Å; Q16-F26 HydrophobicContact CB-CD2 3.89Å; Q16-F26 HydrophobicContact CB-CE2 3.79Å
17C76.4Confident78.9Confident74 Ų7466 Ų6650%0.539%0.389SS..EExtended strand (participates in β ladder)trans-107.6126.5179.4-61.60000109.7C23C17-C23 HydrophobicContact CB-CB 4.08Å; C17-C23 WeakPolarHBondContact CB-SG 3.36Å; C17-C23 WeakPolarHBondContact SG-CB 3.25Å; C17-C23 CovalentContact SG-SG 2.04Å; C17-C23 PolarHBondContact SG-SG 3.29Å
18I78.6Confident79.3Confident88 Ų8866.9 Ų66.945%0.45139%0.389SS..EExtended strand (participates in β ladder)trans-101.7129.3171.2-57.5174.3000106.5S20 D21 G22I18-S20 PolarHBondContact O-N 3.45Å; I18-D21 HydrophobicContact CB-CB 4.45Å; I18-D21 PolarHBondContact O-N 2.77Å; I18-G22 PolarHBondContact N-O 2.93Å; I18-G22 PolarHBondContact O-N 2.04Å
19P65.2Low79.6Confident141 Ų14165 Ų6592%0.91637%0.373SS*.THydrogen-bonded Turntrans-54.3-27.1-172.6-27.633.8000115.4
20S69.1Low79.7Confident102 Ų10268 Ų6871%0.71338%0.383SS*.THydrogen-bonded Turntrans-101.4-25.5-176.753.70000115.1I18I18-S20 PolarHBondContact O-N 3.45Å
21D61.9Low79.8Confident139 Ų13965.8 Ų65.874%0.74337%0.369SS*.THydrogen-bonded Turntrans-117.68.5-168.6-89.1-23.9000114I18I18-D21 HydrophobicContact CB-CB 4.45Å; I18-D21 PolarHBondContact O-N 2.77Å
22G69.2Low79.9Confident42 Ų4265.5 Ų65.543%0.43337%0.367SS..EExtended strand (participates in β ladder)trans83-163.4178.900000113.8I18I18-G22 PolarHBondContact N-O 2.93Å; I18-G22 PolarHBondContact O-N 2.04Å
23C76.6Confident80.2Confident77 Ų7761 Ų6152%0.5235%0.35SS..EExtended strand (participates in β ladder)trans-115133.3-173.4-60.70000111.6M15 Q16 C17M15-C23 HydrophobicContact CG-CB 3.94Å; M15-C23 HydrophobicContact SD-CB 3.79Å; Q16-C23 WeakPolarHBondContact O-CA 3.47Å; C17-C23 HydrophobicContact CB-CB 4.08Å; C17-C23 WeakPolarHBondContact CB-SG 3.36Å; C17-C23 WeakPolarHBondContact SG-CB 3.25Å; C17-C23 CovalentContact SG-SG 2.04Å; C17-C23 PolarHBondContact SG-SG 3.29Å
24S79.6Confident80.2Confident66 Ų6659.8 Ų59.846%0.46234%0.342SS..EExtended strand (participates in β ladder)trans-117.2145.9177-60.40000110.7M15 Q16M15-S24 WeakPolarHBondContact CA-O 3.05Å; Q16-S24 PolarHBondContact N-O 3.1Å; Q16-S24 PolarHBondContact O-N 3.22Å
25L81.8Confident80.2Confident34 Ų3459.3 Ų59.318%0.17834%0.337CS..EExtended strand (participates in β ladder)trans-93.1137.7175.3-69.1176.8000110.4T13 M15 V83 V85 V110T13-L25 HydrophobicContact CG2-CB 4.49Å; T13-L25 HydrophobicContact CG2-CD2 4.11Å; M15-L25 HydrophobicContact CB-CD2 4.01Å; M15-L25 HydrophobicContact CE-CD2 3.75Å; M15-L25 HydrophobicContact CG-CD2 4.23Å; L25-V83 HydrophobicContact CB-CG2 4.12Å; L25-V83 PolarHBondContact O-N 2.79Å; L25-V83 VanDerWaalsContact O-N 3.15Å; L25-V85 HydrophobicContact CD1-CG2 3.47Å; L25-V85 VanDerWaalsContact CD1-CG2 3.47Å; L25-V110 HydrophobicContact CD1-CG1 4.23Å
26F86.6Confident80.3Confident39 Ų3957.6 Ų57.617%0.17133%0.328CS..EExtended strand (participates in β ladder)trans-129.9142.9176.8-64.8-85.8000110.2A14 Q16 C80 F81 A82A14-F26 PolarHBondContact N-O 3.28Å; A14-F26 PolarHBondContact O-N 3.15Å; A14-F26 VanDerWaalsContact O-O 3.08Å; Q16-F26 HydrophobicContact CB-CD2 3.89Å; Q16-F26 HydrophobicContact CB-CE2 3.79Å; F26-C80 HydrophobicContact CD1-CB 3.9Å; F26-C80 HydrophobicContact CE1-CB 4.27Å; F26-F81 CarbonylContact C-O 3.56Å; F26-F81 WeakPolarHBondContact CA-O 3.22Å; F26-A82 HydrophobicContact CD1-CB 4.4Å; F26-A82 HydrophobicContact CE1-CB 4.14Å
27L87.5Confident80.3Confident0 Ų059 Ų590%033%0.334CS..EExtended strand (participates in β ladder)trans-88.8128.7166.6-17172.4000109.1V29 T46 F81 V83 L89 V91 H108L27-V29 HydrophobicContact CD2-CG2 4.25Å; L27-V29 HydrophobicContact CG-CG2 4.39Å; L27-T46 HydrophobicContact CD2-CG2 3.93Å; L27-F81 HydrophobicContact CB-CB 4.17Å; L27-F81 PolarHBondContact N-O 3Å; L27-F81 WeakPolarHBondContact O-CD2 3.22Å; L27-F81 PolarHBondContact O-N 2.85Å; L27-V83 HydrophobicContact CB-CG1 3.89Å; L27-V83 HydrophobicContact CB-CG2 4.37Å; L27-L89 HydrophobicContact CD2-CD1 4.01Å; L27-V91 HydrophobicContact CD2-CG2 3.7Å; L27-H108 WeakPolarHBondContact CD1-CD2 3.08Å; L27-H108 VanDerWaalsContact CD1-NE2 3.31Å; L27-H108 WeakPolarHBondContact CD1-NE2 3.26Å
28R89Confident80.4Confident102 Ų10260.7 Ų60.739%0.38534%0.335SS..EExtended strand (participates in β ladder)trans-104.2131.7169.8-72.4-175.8-177.5171.75.7109.4S11 Y12 A14 F78 G79S11-R28 WeakPolarHBondContact CA-O 3.05Å; Y12-R28 HydrophobicContact CD1-CB 4.38Å; Y12-R28 HydrophobicContact CD2-CB 4.13Å; Y12-R28 HydrophobicContact CE1-CB 3.94Å; Y12-R28 HydrophobicContact CE2-CB 3.68Å; Y12-R28 HydrophobicContact CE2-CG 4.21Å; Y12-R28 HydrophobicContact CG-CB 4.46Å; Y12-R28 PolarHBondContact N-O 2.95Å; Y12-R28 PolarHBondContact O-N 3.16Å; Y12-R28 WeakPolarHBondContact OH-CD 3.24Å; A14-R28 HydrophobicContact CB-CG 4.2Å; R28-F78 WeakPolarHBondContact CA-O 3.49Å; R28-G79 WeakPolarHBondContact CG-O 3.34Å
29V90.1Very high80.7Confident0 Ų056.6 Ų56.60%031%0.314CS..EExtended strand (participates in β ladder)trans-114.5125178.6-176.90000107.9L9 L27 F78 F81 V91L9-V29 HydrophobicContact CD1-CG1 3.32Å; L27-V29 HydrophobicContact CD2-CG2 4.25Å; L27-V29 HydrophobicContact CG-CG2 4.39Å; V29-F78 HydrophobicContact CB-CB 4.13Å; V29-F78 HydrophobicContact CB-CD2 4.25Å; V29-F78 HydrophobicContact CG1-CD2 4.34Å; V29-F78 PolarHBondContact N-O 3.08Å; V29-F78 PolarHBondContact O-N 3.03Å; V29-F81 HydrophobicContact CB-CE2 4.39Å; V29-F81 HydrophobicContact CG2-CD2 4.09Å; V29-F81 HydrophobicContact CG2-CE2 3.81Å; V29-V91 HydrophobicContact CG1-CG1 4.18Å; V29-V91 HydrophobicContact CG2-CG1 3.83Å
30R89.4Confident81.6Confident86 Ų8657.4 Ų57.433%0.32530%0.298SS..EExtended strand (participates in β ladder)trans-113124.7174.7178.3-17473.7170.65.3108.7T10 Y12 V76 Y77T10-R30 PolarHBondContact N-O 3.24Å; T10-R30 PolarHBondContact O-N 3.42Å; T10-R30 WeakPolarHBondContact OG1-CB 3.38Å; T10-R30 PolarHBondContact OG1-NE 2.68Å; T10-R30 PolarHBondContact OG1-O 2.98Å; T10-R30 VanDerWaalsContact OG1-O 3.09Å; Y12-R30 HydrophobicContact CE1-CB 4.47Å; R30-V76 WeakPolarHBondContact CA-O 3.47Å; R30-Y77 HydrophobicContact CB-CD1 4.01Å; R30-Y77 HydrophobicContact CB-CE1 3.96Å; R30-Y77 WeakPolarHBondContact CD-OH 3.4Å; R30-Y77 HydrophobicContact CG-CD1 4.02Å; R30-Y77 HydrophobicContact CG-CE1 3.62Å
31A89.2Confident82.6Confident0 Ų052.5 Ų52.50%026%0.264CS..EExtended strand (participates in β ladder)trans-115.2134.217800000110.4A8 L42 Q75 V76 F78 L93A8-A31 WeakPolarHBondContact O-CA 3.26Å; A31-L42 HydrophobicContact CB-CD1 4.5Å; A31-Q75 CarbonylContact O-C 3.24Å; A31-Q75 WeakPolarHBondContact O-CA 3.48Å; A31-V76 PolarHBondContact N-O 2.83Å; A31-V76 PolarHBondContact O-N 2.82Å; A31-F78 HydrophobicContact CB-CE2 4.31Å; A31-L93 HydrophobicContact CB-CD1 4.31Å; A31-L93 HydrophobicContact CB-CD2 3.42Å; A31-L93 VanDerWaalsContact CB-CD2 3.42Å
32S87.9Confident84Confident11 Ų1146 Ų468%0.07723%0.229CC..EExtended strand (participates in β ladder)trans-100124.2166.9-63.30000109E7 A8 L74E7-S32 PolarHBondContact N-O 2.72Å; A8-S32 PolarHBondContact N-O 2.71Å; A8-S32 PolarHBondContact O-N 3.03Å; S32-L74 WeakPolarHBondContact CA-O 3.41Å
33I87.4Confident85.1Confident0 Ų047.1 Ų47.10%022%0.224CC..EExtended strand (participates in β ladder)trans-129.4151.1-177.762.6152000111.6V5 L6 L39 L42 Q73 L74 V76V5-I33 CarbonylContact O-C 3.58Å; V5-I33 VanDerWaalsContact O-CA 3.31Å; V5-I33 WeakPolarHBondContact O-CA 3.42Å; L6-I33 HydrophobicContact CD2-CG2 3.51Å; I33-L39 HydrophobicContact CD1-CD2 3.72Å; I33-L42 HydrophobicContact CD1-CD1 3.96Å; I33-L42 HydrophobicContact CD1-CG 4.42Å; I33-L42 HydrophobicContact CG1-CD1 4.32Å; I33-L42 HydrophobicContact CG2-CD1 3.61Å; I33-L42 HydrophobicContact CG2-CD2 4.12Å; I33-L42 HydrophobicContact CG2-CG 4.46Å; I33-Q73 CarbonylContact O-C 3.59Å; I33-Q73 WeakPolarHBondContact O-CA 3.31Å; I33-L74 HydrophobicContact CG1-CB 4.05Å; I33-L74 PolarHBondContact N-O 3.5Å; I33-L74 PolarHBondContact O-N 2.96Å; I33-V76 HydrophobicContact CD1-CG2 4.17Å; I33-V76 HydrophobicContact CG1-CG2 4.19Å
34T84.6Confident85.9Confident23 Ų2343.5 Ų43.514%0.14120%0.199CC..EExtended strand (participates in β ladder)trans-102.3126.7165.652.40000109.3S4 V5 E7 H36S4-T34 PolarHBondContact O-OG1 2.91Å; V5-T34 WeakPolarHBondContact CA-OG1 3.49Å; V5-T34 PolarHBondContact O-N 2.89Å; E7-T34 HydrophobicContact CG-CG2 4.22Å; E7-T34 WeakPolarHBondContact OE1-CG2 3.45Å; T34-H36 PolarHBondContact O-N 2.92Å; T34-H36 VanDerWaalsContact O-N 3.14Å
35L77.9Confident86.5Confident7 Ų740.7 Ų40.74%0.03718%0.179CC..PPolyproline II helixtrans-67116.1-176.9-109168.6000111L39 V61 H66 Q69 G71 Q72 L74L35-L39 HydrophobicContact CD2-CD2 4.47Å; L35-V61 HydrophobicContact CD2-CG1 4.26Å; L35-H66 WeakPolarHBondContact CD2-CD2 3.1Å; L35-Q69 HydrophobicContact CD1-CB 3.53Å; L35-Q69 WeakPolarHBondContact CD1-O 3.4Å; L35-G71 PolarHBondContact O-N 2.76Å; L35-Q72 PolarHBondContact N-O 2.96Å; L35-L74 HydrophobicContact CD1-CD1 3.17Å; L35-L74 HydrophobicContact CD1-CG 4.36Å; L35-L74 HydrophobicContact CG-CD1 3.69Å
36H81Confident87Confident85 Ų8539.3 Ų39.339%0.39417%0.172SC..PPolyproline II helixtrans-103.7152.7176.3-165.863.5000111.3V5 T34 H38 L39 H66V5-H36 HydrophobicContact CG1-CB 4.2Å; V5-H36 HydrophobicContact CG2-CB 3.93Å; T34-H36 PolarHBondContact O-N 2.92Å; T34-H36 VanDerWaalsContact O-N 3.14Å; H36-H38 AromaticContact NE2-ND1 3.85Å; H36-H38 PolarHBondContact O-N 2.8Å; H36-H38 VanDerWaalsContact O-N 3.15Å; H36-L39 HydrophobicContact CB-CB 4.27Å; H36-L39 WeakPolarHBondContact O-CB 3.5Å; H36-L39 PolarHBondContact O-N 3.27Å; H36-H66 PolarHBondContact O-NE2 3.29Å
37E76.4Confident87.3Confident122 Ų12239.3 Ų39.357%0.5718%0.175SC*.THydrogen-bonded Turntrans-56.2-37.4-172.7-169.6177-176.400113.1H66 M70E37-H66 PolarHBondContact O-CE1 2.92Å; E37-H66 PolarHBondContact O-NE2 2.86Å; E37-M70 HydrophobicContact CB-CE 4.16Å; E37-M70 HydrophobicContact CG-CE 4.46Å
38H80.1Confident87.3Confident111 Ų11139.5 Ų39.551%0.51418%0.176SC..THydrogen-bonded Turntrans-93.4-3.7-176.5-60.187.6000113.8H36 R40 P97 F99H36-H38 AromaticContact NE2-ND1 3.85Å; H36-H38 PolarHBondContact O-N 2.8Å; H36-H38 VanDerWaalsContact O-N 3.15Å; H38-R40 PolarHBondContact O-N 3.11Å; H38-P97 WeakPolarHBondContact O-CD 3.49Å; H38-F99 HydrophobicContact CB-CE1 4.04Å; H38-F99 HydrophobicContact CB-CZ 3.65Å
39L83.8Confident87.1Confident2 Ų238.9 Ų38.91%0.0118%0.181CC..  trans-77.7118.8-177-173.672.6000110.2V5 I33 L35 H36 G41 L42 H66 T95 F99V5-L39 HydrophobicContact CG1-CD1 4.27Å; V5-L39 HydrophobicContact CG1-CD2 4.08Å; I33-L39 HydrophobicContact CD1-CD2 3.72Å; L35-L39 HydrophobicContact CD2-CD2 4.47Å; H36-L39 HydrophobicContact CB-CB 4.27Å; H36-L39 WeakPolarHBondContact O-CB 3.5Å; H36-L39 PolarHBondContact O-N 3.27Å; L39-G41 WeakPolarHBondContact CD1-O 3.21Å; L39-L42 HydrophobicContact CD1-CD2 4.31Å; L39-H66 PolarHBondContact O-CD2 2.82Å; L39-T95 HydrophobicContact CD1-CG2 3.59Å; L39-F99 HydrophobicContact CD1-CE2 4.44Å
40R85.5Confident86.4Confident157 Ų15743.8 Ų43.859%0.59221%0.207SC*.  trans-104.4-22.5178.9-58.2-166.1179.3-135-0113.4H38 V61 I96H38-R40 PolarHBondContact O-N 3.11Å; R40-V61 PolarHBondContact O-N 3.4Å; R40-I96 CarbonylContact C-O 3.56Å; R40-I96 WeakPolarHBondContact CA-O 3.31Å; R40-I96 WeakPolarHBondContact CB-O 3.2Å; R40-I96 PolarHBondContact N-O 3.45Å
41G88.7Confident86Confident0 Ų043.5 Ų43.50%022%0.215CC..EExtended strand (participates in β ladder)trans-176.4-175.2-179.200000112.1L39 V59 I96L39-G41 WeakPolarHBondContact CD1-O 3.21Å; G41-V59 CarbonylContact C-O 3.5Å; G41-V59 WeakPolarHBondContact CA-O 3.21Å; G41-I96 PolarHBondContact N-O 2.87Å; G41-I96 PolarHBondContact O-N 3.41Å
42L91.3Very high85.7Confident2 Ų251.2 Ų51.21%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-132.7147.8175.1-64.1174.4000109.2L6 A31 I33 L39 S58 V59 V76 F78 L93 R94 T95L6-L42 HydrophobicContact CD2-CD2 3.78Å; A31-L42 HydrophobicContact CB-CD1 4.5Å; I33-L42 HydrophobicContact CD1-CD1 3.96Å; I33-L42 HydrophobicContact CD1-CG 4.42Å; I33-L42 HydrophobicContact CG1-CD1 4.32Å; I33-L42 HydrophobicContact CG2-CD1 3.61Å; I33-L42 HydrophobicContact CG2-CD2 4.12Å; I33-L42 HydrophobicContact CG2-CG 4.46Å; L39-L42 HydrophobicContact CD1-CD2 4.31Å; L42-S58 CarbonylContact O-C 3.55Å; L42-S58 VanDerWaalsContact O-CA 3.3Å; L42-S58 WeakPolarHBondContact O-CA 3.48Å; L42-V59 PolarHBondContact N-O 3.47Å; L42-V59 PolarHBondContact O-N 3.29Å; L42-V76 HydrophobicContact CD1-CB 3.97Å; L42-V76 HydrophobicContact CD1-CG1 4.2Å; L42-V76 HydrophobicContact CD1-CG2 3.82Å; L42-F78 HydrophobicContact CB-CZ 3.78Å; L42-F78 HydrophobicContact CD1-CZ 4.43Å; L42-L93 HydrophobicContact CB-CD1 4.35Å; L42-R94 CarbonylContact C-O 3.47Å; L42-R94 WeakPolarHBondContact CA-O 3.27Å; L42-T95 HydrophobicContact CD2-CG2 4.26Å
43E93.1Very high85.7Confident66 Ų6657 Ų5731%0.30828%0.276SS..EExtended strand (participates in β ladder)trans-123127.2171.8-175.1175.5-111.100108.9Q57 L93 R94 I96E43-Q57 WeakPolarHBondContact CA-O 3.42Å; E43-L93 WeakPolarHBondContact O-CA 3.17Å; E43-R94 PolarHBondContact N-O 2.84Å; E43-R94 PolarHBondContact O-N 2.87Å; E43-I96 HydrophobicContact CB-CD1 4.13Å; E43-I96 HydrophobicContact CB-CG1 4.21Å
44A93.4Very high85.9Confident0 Ų060.9 Ų60.90%030%0.3CS..EExtended strand (participates in β ladder)trans-111.1128.3171.800000109C56 Q57 F78 F81 T92 L93A44-C56 CarbonylContact O-C 3.43Å; A44-C56 WeakPolarHBondContact O-CA 3.27Å; A44-Q57 PolarHBondContact N-O 3.17Å; A44-Q57 PolarHBondContact O-N 3.45Å; A44-F78 HydrophobicContact CB-CB 4.37Å; A44-F78 HydrophobicContact CB-CD1 3.58Å; A44-F78 HydrophobicContact CB-CD2 3.83Å; A44-F78 HydrophobicContact CB-CE1 3.68Å; A44-F78 HydrophobicContact CB-CE2 3.95Å; A44-F78 HydrophobicContact CB-CG 3.66Å; A44-F78 HydrophobicContact CB-CZ 3.86Å; A44-F81 HydrophobicContact CB-CE2 4.37Å; A44-F81 HydrophobicContact CB-CZ 3.92Å; A44-F81 WeakPolarHBondContact O-CZ 3.46Å; A44-T92 CarbonylContact C-O 3.56Å; A44-T92 VanDerWaalsContact CA-O 3.31Å; A44-T92 WeakPolarHBondContact CA-O 3.17Å; A44-L93 HydrophobicContact CB-CD1 4.03Å
45C92.3Very high86.2Confident8 Ų863.5 Ų63.55%0.05431%0.311CS..EExtended strand (participates in β ladder)trans-123.3139.4176.4-63.70000110.9T54 Q55 C56 V91 T92C45-T54 HydrophobicContact CB-CG2 4.46Å; C45-Q55 CarbonylContact C-O 3.51Å; C45-Q55 WeakPolarHBondContact CA-O 3.48Å; C45-C56 HydrophobicContact CB-CB 4.14Å; C45-C56 WeakPolarHBondContact CB-SG 3.38Å; C45-C56 WeakPolarHBondContact SG-CB 3.42Å; C45-C56 CovalentContact SG-SG 2.04Å; C45-C56 PolarHBondContact SG-SG 2.91Å; C45-V91 CarbonylContact O-C 3.58Å; C45-V91 WeakPolarHBondContact O-CA 3.39Å; C45-T92 PolarHBondContact N-O 3.33Å; C45-T92 PolarHBondContact O-N 2.86Å; C45-T92 PolarHBondContact O-OG1 3.01Å
46T91.9Very high86.9Confident4 Ų466.3 Ų66.33%0.02533%0.33CS..EExtended strand (participates in β ladder)trans-113.6125.4172.560.70000109.2L27 T54 Q55 F81 Y90 V91L27-T46 HydrophobicContact CD2-CG2 3.93Å; T46-T54 WeakPolarHBondContact O-CA 3.4Å; T46-Q55 PolarHBondContact N-O 2.72Å; T46-Q55 PolarHBondContact O-N 2.82Å; T46-F81 HydrophobicContact CG2-CB 4.12Å; T46-F81 HydrophobicContact CG2-CD1 3.77Å; T46-F81 HydrophobicContact CG2-CD2 3.88Å; T46-F81 HydrophobicContact CG2-CE1 4.11Å; T46-F81 HydrophobicContact CG2-CE2 4.22Å; T46-F81 HydrophobicContact CG2-CG 3.64Å; T46-F81 HydrophobicContact CG2-CZ 4.33Å; T46-Y90 WeakPolarHBondContact CA-O 3.21Å; T46-V91 HydrophobicContact CG2-CG1 4.46Å; T46-V91 HydrophobicContact CG2-CG2 4.3Å
47V92.4Very high87.5Confident40 Ų4065.4 Ų65.424%0.24233%0.327CS..EExtended strand (participates in β ladder)trans-111.4125175.7-174.30000109.1L49 E53 T54 L89 Y90V47-L49 PolarHBondContact O-N 2.8Å; V47-E53 CarbonylContact C-O 3.49Å; V47-E53 WeakPolarHBondContact CA-O 3.36Å; V47-T54 HydrophobicContact CG2-CG2 3.96Å; V47-L89 CarbonylContact O-C 3.55Å; V47-L89 WeakPolarHBondContact O-CA 3.3Å; V47-Y90 PolarHBondContact N-O 2.79Å; V47-Y90 PolarHBondContact O-N 2.83Å
48S87.6Confident88.2Confident3 Ų362.4 Ų62.42%0.02132%0.319CS..EExtended strand (participates in β ladder)trans-69.3121.8170.9-178.10000109.6D50 T51 Q52 E53 Q87S48-D50 PolarHBondContact O-N 2.92Å; S48-T51 WeakPolarHBondContact CB-OG1 3.12Å; S48-T51 PolarHBondContact OG-N 2.79Å; S48-T51 PolarHBondContact OG-OG1 2.93Å; S48-Q52 WeakPolarHBondContact O-CA 3.38Å; S48-Q52 PolarHBondContact O-N 2.79Å; S48-E53 PolarHBondContact N-O 3.06Å; S48-Q87 PolarHBondContact OG-NE2 3.48Å; S48-Q87 VanDerWaalsContact OG-NE2 3.07Å
49L84.8Confident88.6Confident90 Ų9059.8 Ų59.847%0.47131%0.31SS..THydrogen-bonded Turntrans-72.1-22.4176.7-66.4-178.9000112.1V47 H88V47-L49 PolarHBondContact O-N 2.8Å; L49-H88 HydrophobicContact CB-CB 3.97Å; L49-H88 HydrophobicContact CD1-CB 4.15Å; L49-H88 HydrophobicContact CG-CB 4.41Å; L49-H88 PolarHBondContact N-O 3.25Å
50D76.1Confident88.8Confident102 Ų10267.4 Ų67.455%0.54534%0.339SS..THydrogen-bonded Turntrans-84.4-45.1-178.1-55-51.4000111.5S48 H88S48-D50 PolarHBondContact O-N 2.92Å; D50-H88 IonicContact OD1-ND1 3.75Å; D50-H88 PolarHBondContact OD2-N 3.16Å; D50-H88 IonicContact OD2-ND1 3.5Å
51T79.8Confident88.6Confident81 Ų8161.6 Ų61.650%0.49732%0.321SS..THydrogen-bonded Turntrans-106.5-10.1-174.859.70000114.2S48 E53S48-T51 WeakPolarHBondContact CB-OG1 3.12Å; S48-T51 PolarHBondContact OG-N 2.79Å; S48-T51 PolarHBondContact OG-OG1 2.93Å; T51-E53 PolarHBondContact O-N 2.81Å; T51-E53 VanDerWaalsContact O-N 3.12Å
52Q83.9Confident88.1Confident162 Ų16264.3 Ų64.376%0.75734%0.344SS*.  trans608.8-170.4-55.5-17414.900114.9S48S48-Q52 WeakPolarHBondContact O-CA 3.38Å; S48-Q52 PolarHBondContact O-N 2.79Å
53E87.4Confident87.1Confident132 Ų13274.2 Ų74.262%0.61738%0.381SS*.  trans-66.3139.3174.5-71.7-175.8153.600111.3V47 S48 T51V47-E53 CarbonylContact C-O 3.49Å; V47-E53 WeakPolarHBondContact CA-O 3.36Å; S48-E53 PolarHBondContact N-O 3.06Å; T51-E53 PolarHBondContact O-N 2.81Å; T51-E53 VanDerWaalsContact O-N 3.12Å
54T91.4Very high85.7Confident82 Ų8276.2 Ų76.250%0.50340%0.398SS..EExtended strand (participates in β ladder)trans-121.9131.3-176.2-57.20000110.8C45 T46 V47C45-T54 HydrophobicContact CB-CG2 4.46Å; T46-T54 WeakPolarHBondContact O-CA 3.4Å; V47-T54 HydrophobicContact CG2-CG2 3.96Å
55Q92.3Very high84.3Confident77 Ų7778.8 Ų78.836%0.3642%0.416SS..EExtended strand (participates in β ladder)trans-120.6132.4171.6-61.7177.47.800109C45 T46 F81 A82C45-Q55 CarbonylContact C-O 3.51Å; C45-Q55 WeakPolarHBondContact CA-O 3.48Å; T46-Q55 PolarHBondContact N-O 2.72Å; T46-Q55 PolarHBondContact O-N 2.82Å; Q55-F81 HydrophobicContact CB-CD1 3.98Å; Q55-A82 PolarHBondContact NE2-O 2.94Å; Q55-A82 VanDerWaalsContact OE1-N 3.17Å
56C92.3Very high83.1Confident66 Ų6680.1 Ų80.145%0.44642%0.421SS..EExtended strand (participates in β ladder)trans-127140.9180-650000111.1A44 C45A44-C56 CarbonylContact O-C 3.43Å; A44-C56 WeakPolarHBondContact O-CA 3.27Å; C45-C56 HydrophobicContact CB-CB 4.14Å; C45-C56 WeakPolarHBondContact CB-SG 3.38Å; C45-C56 WeakPolarHBondContact SG-CB 3.42Å; C45-C56 CovalentContact SG-SG 2.04Å; C45-C56 PolarHBondContact SG-SG 2.91Å
57Q92.9Very high81.8Confident67 Ų6790.6 Ų90.631%0.31346%0.46SS..EExtended strand (participates in β ladder)trans-129.3135.6171.5-70.1-174.28.800109.4E43 A44 F78 C80 F81E43-Q57 WeakPolarHBondContact CA-O 3.42Å; A44-Q57 PolarHBondContact N-O 3.17Å; A44-Q57 PolarHBondContact O-N 3.45Å; Q57-F78 HydrophobicContact CB-CD1 4.14Å; Q57-F78 WeakPolarHBondContact O-CE1 3.4Å; Q57-C80 PolarHBondContact NE2-O 3.2Å; Q57-F81 HydrophobicContact CB-CE1 4.07Å; Q57-F81 HydrophobicContact CB-CZ 3.89Å; Q57-F81 HydrophobicContact CG-CD1 4.47Å; Q57-F81 HydrophobicContact CG-CE1 3.79Å; Q57-F81 HydrophobicContact CG-CZ 4Å
58S90.9Very high80.5Confident59 Ų5995.6 Ų95.641%0.41348%0.481SS..EExtended strand (participates in β ladder)trans-115142.9177.154.30000111.3L42L42-S58 CarbonylContact O-C 3.55Å; L42-S58 VanDerWaalsContact O-CA 3.3Å; L42-S58 WeakPolarHBondContact O-CA 3.48Å
59V89.5Confident79.6Confident55 Ų5598.4 Ų98.433%0.33349%0.494SS..EExtended strand (participates in β ladder)trans-126.1130.4175.8178.60000108.5G41 L42 V76 F78G41-V59 CarbonylContact C-O 3.5Å; G41-V59 WeakPolarHBondContact CA-O 3.21Å; L42-V59 PolarHBondContact N-O 3.47Å; L42-V59 PolarHBondContact O-N 3.29Å; V59-V76 HydrophobicContact CB-CG1 4.17Å; V59-V76 HydrophobicContact CG1-CG1 4.06Å; V59-V76 HydrophobicContact CG2-CG1 4.29Å; V59-F78 HydrophobicContact CB-CE1 4.23Å; V59-F78 HydrophobicContact CG2-CD1 3.93Å; V59-F78 HydrophobicContact CG2-CE1 3.66Å; V59-F78 HydrophobicContact CG2-CZ 4.33Å
60W87.1Confident78.9Confident163 Ų16399.6 Ų99.662%0.61750%0.498SS*.EExtended strand (participates in β ladder)trans-102.3138.1-178.4-57.694.7000110.7I96W60-I96 HydrophobicContact CE3-CG2 4.46Å; W60-I96 HydrophobicContact CH2-CD1 4.03Å; W60-I96 HydrophobicContact CH2-CG2 3.64Å; W60-I96 HydrophobicContact CZ2-CD1 4.22Å; W60-I96 HydrophobicContact CZ3-CB 4.22Å; W60-I96 HydrophobicContact CZ3-CD1 4.21Å; W60-I96 HydrophobicContact CZ3-CG2 3.45Å; W60-I96 VanDerWaalsContact CZ3-CG2 3.45Å
61V82.4Confident78.6Confident34 Ų3497 Ų9721%0.20650%0.495CS..PPolyproline II helixtrans-87.3121.3173.5-175.20000108.6L35 R40 R63 H66L35-V61 HydrophobicContact CD2-CG1 4.26Å; R40-V61 PolarHBondContact O-N 3.4Å; V61-R63 PolarHBondContact O-N 3.15Å; V61-H66 HydrophobicContact CG1-CB 4.44Å
62A77.6Confident78.3Confident58 Ų5897.8 Ų97.848%0.47949%0.493SS..PPolyproline II helixtrans-61.4137.1176.200000110.9V64 S65 H66A62-V64 PolarHBondContact O-N 2.86Å; A62-V64 VanDerWaalsContact O-N 3.16Å; A62-S65 WeakPolarHBondContact O-CB 3.25Å; A62-S65 PolarHBondContact O-N 3.25Å; A62-S65 VanDerWaalsContact O-N 3.1Å; A62-H66 PolarHBondContact O-N 3.12Å; A62-H66 VanDerWaalsContact O-N 3.08Å
63R70.7Confident78.2Confident209 Ų20995.8 Ų95.879%0.78948%0.484SS*.Hα-helixtrans-59.2-30.7-176.9-67.2-174.7-160.51696.5113.6V61V61-R63 PolarHBondContact O-N 3.15Å
64V62.5Low78Confident109 Ų10991.7 Ų91.766%0.66147%0.466SS*.Hα-helixtrans-69.2-42.6178.8-173.80000110.5A62 H66A62-V64 PolarHBondContact O-N 2.86Å; A62-V64 VanDerWaalsContact O-N 3.16Å; V64-H66 VanDerWaalsContact C-N 3.34Å
65S64.6Low77.8Confident54 Ų5492.7 Ų92.738%0.37847%0.465SS..Hα-helixtrans-68.2-33.1177.2-480000112.3A62 R67 Q68 Q69A62-S65 WeakPolarHBondContact O-CB 3.25Å; A62-S65 PolarHBondContact O-N 3.25Å; A62-S65 VanDerWaalsContact O-N 3.1Å; S65-R67 PolarHBondContact O-N 3.19Å; S65-Q68 PolarHBondContact O-N 3.07Å; S65-Q69 VanDerWaalsContact O-CB 3.29Å; S65-Q69 WeakPolarHBondContact O-CB 3.37Å; S65-Q69 WeakPolarHBondContact O-CG 3.35Å; S65-Q69 PolarHBondContact O-N 3.2Å
66H67.5Low77.5Confident35 Ų3590 Ų9016%0.16245%0.454CS..Hα-helixtrans-60-42.9179.3-173.9-87.1000112.9L35 H36 E37 L39 V61 A62 V64 Q68 M70L35-H66 WeakPolarHBondContact CD2-CD2 3.1Å; H36-H66 PolarHBondContact O-NE2 3.29Å; E37-H66 PolarHBondContact O-CE1 2.92Å; E37-H66 PolarHBondContact O-NE2 2.86Å; L39-H66 PolarHBondContact O-CD2 2.82Å; V61-H66 HydrophobicContact CG1-CB 4.44Å; A62-H66 PolarHBondContact O-N 3.12Å; A62-H66 VanDerWaalsContact O-N 3.08Å; V64-H66 VanDerWaalsContact C-N 3.34Å; H66-Q68 PolarHBondContact O-N 2.85Å; H66-M70 PolarHBondContact O-N 3.18Å
67R64.6Low77.4Confident224 Ų22492.6 Ų92.685%0.84546%0.455SS*.Hα-helixtrans-69.9-30.2178.7-72.5-174.7174.7-178.8-2.1113.9S65S65-R67 PolarHBondContact O-N 3.19Å
68Q64.7Low77.2Confident146 Ų14689.5 Ų89.568%0.68244%0.441SS*.Hα-helixtrans-87.8-24.4-177.8-73.1178-1600113.5S65 H66S65-Q68 PolarHBondContact O-N 3.07Å; H66-Q68 PolarHBondContact O-N 2.85Å
69Q67.7Low76.1Confident62 Ų6288.1 Ų88.129%0.2944%0.435SS..SBendtrans-11412.7-171.4-61.4-78.1-68.800112.6L35 S65 G71 Q72 L74L35-Q69 HydrophobicContact CD1-CB 3.53Å; L35-Q69 WeakPolarHBondContact CD1-O 3.4Å; S65-Q69 VanDerWaalsContact O-CB 3.29Å; S65-Q69 WeakPolarHBondContact O-CB 3.37Å; S65-Q69 WeakPolarHBondContact O-CG 3.35Å; S65-Q69 PolarHBondContact O-N 3.2Å; Q69-G71 PolarHBondContact O-N 2.92Å; Q69-Q72 WeakPolarHBondContact O-CB 3.1Å; Q69-Q72 PolarHBondContact O-N 3.3Å; Q69-L74 HydrophobicContact CB-CD1 4.5Å
70M70.1Confident75.5Confident114 Ų11488.6 Ų88.656%0.56244%0.44SS*.THydrogen-bonded Turntrans-56.9126.5179.5-168.8-176.5-177.600110.8E37 H66 Q72E37-M70 HydrophobicContact CB-CE 4.16Å; E37-M70 HydrophobicContact CG-CE 4.46Å; H66-M70 PolarHBondContact O-N 3.18Å; M70-Q72 PolarHBondContact O-N 3.29Å
71G69.8Low75.6Confident47 Ų4780.8 Ų80.849%0.48541%0.411SS..THydrogen-bonded Turntrans76.2-2-178.200000116L35 Q69L35-G71 PolarHBondContact O-N 2.76Å; Q69-G71 PolarHBondContact O-N 2.92Å
72Q74.3Confident75.8Confident99 Ų9981.7 Ų81.746%0.46342%0.422SS..  trans-84.2154.4169.7-70-176.95.900111.3L35 Q69 M70L35-Q72 PolarHBondContact N-O 2.96Å; Q69-Q72 WeakPolarHBondContact O-CB 3.1Å; Q69-Q72 PolarHBondContact O-N 3.3Å; M70-Q72 PolarHBondContact O-N 3.29Å
73Q81.3Confident76.2Confident119 Ų11979.5 Ų79.556%0.55640%0.403SS*.EExtended strand (participates in β ladder)trans-85.4124.8174.7-170.3-176.87.100109.6E7 I33E7-Q73 WeakPolarHBondContact OE2-CG 3.29Å; E7-Q73 PolarHBondContact OE2-NE2 3.11Å; I33-Q73 CarbonylContact O-C 3.59Å; I33-Q73 WeakPolarHBondContact O-CA 3.31Å
74L83.4Confident76.5Confident47 Ų4773.3 Ų73.325%0.24639%0.391CS..EExtended strand (participates in β ladder)trans-115.8143.9178.9-74.6166.2000110.8S32 I33 L35 Q69S32-L74 WeakPolarHBondContact CA-O 3.41Å; I33-L74 HydrophobicContact CG1-CB 4.05Å; I33-L74 PolarHBondContact N-O 3.5Å; I33-L74 PolarHBondContact O-N 2.96Å; L35-L74 HydrophobicContact CD1-CD1 3.17Å; L35-L74 HydrophobicContact CD1-CG 4.36Å; L35-L74 HydrophobicContact CG-CD1 3.69Å; Q69-L74 HydrophobicContact CB-CD1 4.5Å
75Q86.8Confident77.1Confident102 Ų10271.3 Ų71.348%0.47738%0.379SS..EExtended strand (participates in β ladder)trans-101.7120170.2-67.1-1754.700109.8A31 Y77A31-Q75 CarbonylContact O-C 3.24Å; A31-Q75 WeakPolarHBondContact O-CA 3.48Å; Q75-Y77 HydrophobicContact CB-CE2 3.9Å; Q75-Y77 PolarHBondContact OE1-OH 2.91Å
76V87.6Confident77.4Confident22 Ų2269.8 Ų69.813%0.13337%0.37CS..EExtended strand (participates in β ladder)trans-108.5133.1177-175.70000108.8R30 A31 I33 L42 V59 F78R30-V76 WeakPolarHBondContact CA-O 3.47Å; A31-V76 PolarHBondContact N-O 2.83Å; A31-V76 PolarHBondContact O-N 2.82Å; I33-V76 HydrophobicContact CD1-CG2 4.17Å; I33-V76 HydrophobicContact CG1-CG2 4.19Å; L42-V76 HydrophobicContact CD1-CB 3.97Å; L42-V76 HydrophobicContact CD1-CG1 4.2Å; L42-V76 HydrophobicContact CD1-CG2 3.82Å; V59-V76 HydrophobicContact CB-CG1 4.17Å; V59-V76 HydrophobicContact CG1-CG1 4.06Å; V59-V76 HydrophobicContact CG2-CG1 4.29Å; V76-F78 HydrophobicContact CB-CE2 4.48Å; V76-F78 HydrophobicContact CG1-CE2 3.93Å; V76-F78 HydrophobicContact CG1-CZ 4.06Å
77Y88.8Confident78Confident120 Ų12069.5 Ų69.547%0.47137%0.369SS..EExtended strand (participates in β ladder)trans-113.9127.4-178.7-66.3-92.3000110R30 Q75R30-Y77 HydrophobicContact CB-CD1 4.01Å; R30-Y77 HydrophobicContact CB-CE1 3.96Å; R30-Y77 WeakPolarHBondContact CD-OH 3.4Å; R30-Y77 HydrophobicContact CG-CD1 4.02Å; R30-Y77 HydrophobicContact CG-CE1 3.62Å; Q75-Y77 HydrophobicContact CB-CE2 3.9Å; Q75-Y77 PolarHBondContact OE1-OH 2.91Å
78F88.5Confident78.9Confident2 Ų263 Ų631%0.00935%0.347CS..EExtended strand (participates in β ladder)trans-105.8120.9170.2-56-97000107.6R28 V29 A31 L42 A44 Q57 V59 V76 F81 L93R28-F78 WeakPolarHBondContact CA-O 3.49Å; V29-F78 HydrophobicContact CB-CB 4.13Å; V29-F78 HydrophobicContact CB-CD2 4.25Å; V29-F78 HydrophobicContact CG1-CD2 4.34Å; V29-F78 PolarHBondContact N-O 3.08Å; V29-F78 PolarHBondContact O-N 3.03Å; A31-F78 HydrophobicContact CB-CE2 4.31Å; L42-F78 HydrophobicContact CB-CZ 3.78Å; L42-F78 HydrophobicContact CD1-CZ 4.43Å; A44-F78 HydrophobicContact CB-CB 4.37Å; A44-F78 HydrophobicContact CB-CD1 3.58Å; A44-F78 HydrophobicContact CB-CD2 3.83Å; A44-F78 HydrophobicContact CB-CE1 3.68Å; A44-F78 HydrophobicContact CB-CE2 3.95Å; A44-F78 HydrophobicContact CB-CG 3.66Å; A44-F78 HydrophobicContact CB-CZ 3.86Å; Q57-F78 HydrophobicContact CB-CD1 4.14Å; Q57-F78 WeakPolarHBondContact O-CE1 3.4Å; V59-F78 HydrophobicContact CB-CE1 4.23Å; V59-F78 HydrophobicContact CG2-CD1 3.93Å; V59-F78 HydrophobicContact CG2-CE1 3.66Å; V59-F78 HydrophobicContact CG2-CZ 4.33Å; V76-F78 HydrophobicContact CB-CE2 4.48Å; V76-F78 HydrophobicContact CG1-CE2 3.93Å; V76-F78 HydrophobicContact CG1-CZ 4.06Å; F78-F81 HydrophobicContact CB-CE2 3.76Å; F78-F81 HydrophobicContact CB-CZ 4.26Å; F78-L93 HydrophobicContact CE2-CD1 3.74Å; F78-L93 HydrophobicContact CZ-CD1 3.83Å
79G67.9Low80.1Confident29 Ų2956.2 Ų56.230%0.29932%0.316SS..EExtended strand (participates in β ladder)trans-97.7-25.9-150.200000116.9R28R28-G79 WeakPolarHBondContact CG-O 3.34Å
80C77.8Confident81.3Confident65 Ų6556.7 Ų56.744%0.43932%0.316SS..EExtended strand (participates in β ladder)trans-153.763.1-163.1-540000114.1F26 Q57F26-C80 HydrophobicContact CD1-CB 3.9Å; F26-C80 HydrophobicContact CE1-CB 4.27Å; Q57-C80 PolarHBondContact NE2-O 3.2Å
81F88.6Confident82.4Confident0 Ų051.3 Ų51.30%029%0.289CS..EExtended strand (participates in β ladder)trans-80.1120.4165.9-61-81.2000108.7F26 L27 V29 A44 T46 Q55 Q57 F78 V83F26-F81 CarbonylContact C-O 3.56Å; F26-F81 WeakPolarHBondContact CA-O 3.22Å; L27-F81 HydrophobicContact CB-CB 4.17Å; L27-F81 PolarHBondContact N-O 3Å; L27-F81 WeakPolarHBondContact O-CD2 3.22Å; L27-F81 PolarHBondContact O-N 2.85Å; V29-F81 HydrophobicContact CB-CE2 4.39Å; V29-F81 HydrophobicContact CG2-CD2 4.09Å; V29-F81 HydrophobicContact CG2-CE2 3.81Å; A44-F81 HydrophobicContact CB-CE2 4.37Å; A44-F81 HydrophobicContact CB-CZ 3.92Å; A44-F81 WeakPolarHBondContact O-CZ 3.46Å; T46-F81 HydrophobicContact CG2-CB 4.12Å; T46-F81 HydrophobicContact CG2-CD1 3.77Å; T46-F81 HydrophobicContact CG2-CD2 3.88Å; T46-F81 HydrophobicContact CG2-CE1 4.11Å; T46-F81 HydrophobicContact CG2-CE2 4.22Å; T46-F81 HydrophobicContact CG2-CG 3.64Å; T46-F81 HydrophobicContact CG2-CZ 4.33Å; Q55-F81 HydrophobicContact CB-CD1 3.98Å; Q57-F81 HydrophobicContact CB-CE1 4.07Å; Q57-F81 HydrophobicContact CB-CZ 3.89Å; Q57-F81 HydrophobicContact CG-CD1 4.47Å; Q57-F81 HydrophobicContact CG-CE1 3.79Å; Q57-F81 HydrophobicContact CG-CZ 4Å; F78-F81 HydrophobicContact CB-CE2 3.76Å; F78-F81 HydrophobicContact CB-CZ 4.26Å; F81-V83 PolarHBondContact O-N 2.62Å
82A86.8Confident83.5Confident52 Ų5249.7 Ų49.743%0.4327%0.27SS..EExtended strand (participates in β ladder)trans-73.3123-178.700000109.3F26 Q55F26-A82 HydrophobicContact CD1-CB 4.4Å; F26-A82 HydrophobicContact CE1-CB 4.14Å; Q55-A82 PolarHBondContact NE2-O 2.94Å; Q55-A82 VanDerWaalsContact OE1-N 3.17Å
83V85.6Confident84.4Confident13 Ų1345 Ų458%0.07925%0.248CC..  trans-134.9149.7-173.3-61.80000111.7L25 L27 F81 L89 V110L25-V83 HydrophobicContact CB-CG2 4.12Å; L25-V83 PolarHBondContact O-N 2.79Å; L25-V83 VanDerWaalsContact O-N 3.15Å; L27-V83 HydrophobicContact CB-CG1 3.89Å; L27-V83 HydrophobicContact CB-CG2 4.37Å; F81-V83 PolarHBondContact O-N 2.62Å; V83-L89 HydrophobicContact CB-CD1 4.14Å; V83-L89 HydrophobicContact CG1-CD1 3.44Å; V83-L89 VanDerWaalsContact CG1-CD1 3.44Å; V83-V110 HydrophobicContact CB-CG2 4Å; V83-V110 HydrophobicContact CG2-CG1 4.17Å; V83-V110 HydrophobicContact CG2-CG2 3.9Å
84S77.6Confident84.8Confident79 Ų7944 Ų4455%0.55224%0.239SC*.  trans-96.1156.3175.5-67.70000111.7A86 Q87 V110S84-A86 PolarHBondContact O-N 3.26Å; S84-Q87 WeakPolarHBondContact O-CB 3.31Å; S84-Q87 PolarHBondContact O-N 2.87Å; S84-V110 WeakPolarHBondContact O-CB 3.08Å; S84-V110 WeakPolarHBondContact O-CG1 3.08Å
85V75.3Confident85.1Confident66 Ų6641.9 Ų41.940%0.423%0.228SC..THydrogen-bonded Turntrans-56.4133.7174.5173.70000110.6L25 Q87 A112L25-V85 HydrophobicContact CD1-CG2 3.47Å; L25-V85 VanDerWaalsContact CD1-CG2 3.47Å; V85-Q87 PolarHBondContact O-N 3.08Å; V85-A112 HydrophobicContact CB-CB 4.49Å; V85-A112 VanDerWaalsContact CG1-CA 3.41Å; V85-A112 HydrophobicContact CG1-CB 3.05Å
86A71.3Confident85.2Confident22 Ų2238.6 Ų38.618%0.18221%0.213CC..THydrogen-bonded Turntrans58.821.1179.400000115.5S84 V110 A112 V189S84-A86 PolarHBondContact O-N 3.26Å; A86-V110 WeakPolarHBondContact CA-O 3.43Å; A86-V110 PolarHBondContact N-O 2.82Å; A86-A112 HydrophobicContact CB-CB 4.15Å; A86-V189 HydrophobicContact CB-CB 3.83Å; A86-V189 HydrophobicContact CB-CG1 3.29Å; A86-V189 HydrophobicContact CB-CG2 4.15Å
87Q80.2Confident85.1Confident30 Ų3040.7 Ų40.714%0.1423%0.227CC..  trans-74.5135.7173.2-167.6173.45.300110.9S48 S84 V85 L89 V110S48-Q87 PolarHBondContact OG-NE2 3.48Å; S48-Q87 VanDerWaalsContact OG-NE2 3.07Å; S84-Q87 WeakPolarHBondContact O-CB 3.31Å; S84-Q87 PolarHBondContact O-N 2.87Å; V85-Q87 PolarHBondContact O-N 3.08Å; Q87-L89 HydrophobicContact CG-CD2 3.87Å; Q87-L89 HydrophobicContact CG-CG 4.28Å; Q87-V110 HydrophobicContact CB-CG2 4.37Å; Q87-V110 PolarHBondContact O-N 2.9Å; Q87-V110 VanDerWaalsContact O-N 3.08Å
88H84Confident85Confident87 Ų8739.9 Ų39.940%0.40323%0.228SC..EExtended strand (participates in β ladder)trans-89.8119.9173.2-66.385.4000110.1L49 D50L49-H88 HydrophobicContact CB-CB 3.97Å; L49-H88 HydrophobicContact CD1-CB 4.15Å; L49-H88 HydrophobicContact CG-CB 4.41Å; L49-H88 PolarHBondContact N-O 3.25Å; D50-H88 IonicContact OD1-ND1 3.75Å; D50-H88 PolarHBondContact OD2-N 3.16Å; D50-H88 IonicContact OD2-ND1 3.5Å
89L89.8Confident84.7Confident4 Ų441.8 Ų41.82%0.02124%0.236CC..EExtended strand (participates in β ladder)trans-119.2141.8-175.4-59.6169.4000111.3L27 V47 V83 Q87 K107 H108 V110L27-L89 HydrophobicContact CD2-CD1 4.01Å; V47-L89 CarbonylContact O-C 3.55Å; V47-L89 WeakPolarHBondContact O-CA 3.3Å; V83-L89 HydrophobicContact CB-CD1 4.14Å; V83-L89 HydrophobicContact CG1-CD1 3.44Å; V83-L89 VanDerWaalsContact CG1-CD1 3.44Å; Q87-L89 HydrophobicContact CG-CD2 3.87Å; Q87-L89 HydrophobicContact CG-CG 4.28Å; L89-K107 WeakPolarHBondContact O-CA 3.09Å; L89-H108 PolarHBondContact N-O 2.73Å; L89-H108 PolarHBondContact O-N 2.78Å; L89-V110 HydrophobicContact CD1-CG2 3.64Å; L89-V110 HydrophobicContact CG-CG2 4.44Å
90Y92.1Very high85.4Confident72 Ų7246.4 Ų46.428%0.28226%0.262SS..EExtended strand (participates in β ladder)trans-107.7109.4166.1-166.4-106.7000108.9T46 V47 T92 D105 K107T46-Y90 WeakPolarHBondContact CA-O 3.21Å; V47-Y90 PolarHBondContact N-O 2.79Å; V47-Y90 PolarHBondContact O-N 2.83Å; Y90-T92 HydrophobicContact CD1-CG2 3.56Å; Y90-T92 HydrophobicContact CE1-CG2 3.37Å; Y90-D105 HydrophobicContact CE1-CB 4.08Å; Y90-D105 HydrophobicContact CE2-CB 4.26Å; Y90-D105 VanDerWaalsContact OH-CB 3.32Å; Y90-D105 WeakPolarHBondContact OH-CB 3.44Å; Y90-D105 PolarHBondContact OH-OD2 2.8Å; Y90-K107 HydrophobicContact CD2-CG 3.81Å; Y90-K107 HydrophobicContact CE2-CG 4.19Å
91V93.1Very high85.4Confident0 Ų047 Ų470%028%0.28CS..EExtended strand (participates in β ladder)trans-93.8130.2-179.4-171.40000108.4L9 L27 V29 C45 T46 D105 Q106 H108L9-V91 HydrophobicContact CD2-CG1 4.44Å; L27-V91 HydrophobicContact CD2-CG2 3.7Å; V29-V91 HydrophobicContact CG1-CG1 4.18Å; V29-V91 HydrophobicContact CG2-CG1 3.83Å; C45-V91 CarbonylContact O-C 3.58Å; C45-V91 WeakPolarHBondContact O-CA 3.39Å; T46-V91 HydrophobicContact CG2-CG1 4.46Å; T46-V91 HydrophobicContact CG2-CG2 4.3Å; V91-D105 CarbonylContact O-C 3.54Å; V91-D105 VanDerWaalsContact O-CA 3.24Å; V91-D105 WeakPolarHBondContact O-CA 3.05Å; V91-Q106 PolarHBondContact N-O 3.02Å; V91-Q106 PolarHBondContact O-N 2.84Å; V91-H108 HydrophobicContact CG2-CB 4.18Å
92T92.9Very high85.1Confident13 Ų1348.8 Ų48.88%0.0829%0.29CS..EExtended strand (participates in β ladder)trans-126.7140.6176.756.40000109.9A44 C45 Y90 L104 D105A44-T92 CarbonylContact C-O 3.56Å; A44-T92 VanDerWaalsContact CA-O 3.31Å; A44-T92 WeakPolarHBondContact CA-O 3.17Å; C45-T92 PolarHBondContact N-O 3.33Å; C45-T92 PolarHBondContact O-N 2.86Å; C45-T92 PolarHBondContact O-OG1 3.01Å; Y90-T92 HydrophobicContact CD1-CG2 3.56Å; Y90-T92 HydrophobicContact CE1-CG2 3.37Å; T92-L104 CarbonylContact C-O 3.58Å; T92-L104 WeakPolarHBondContact CA-O 3.06Å; T92-D105 HydrophobicContact CG2-CB 4.3Å
93L92.3Very high85.1Confident0 Ų050.7 Ų50.70%029%0.29CS..EExtended strand (participates in β ladder)trans-124.1127.9176.2-176.271.5000109.3L6 L9 A31 L42 E43 A44 F78 Q103 L104L6-L93 HydrophobicContact CD1-CD2 4.34Å; L6-L93 HydrophobicContact CD2-CD2 3.88Å; L6-L93 HydrophobicContact CD2-CG 4.47Å; L9-L93 HydrophobicContact CD1-CB 4.11Å; L9-L93 HydrophobicContact CD1-CD2 4.18Å; L9-L93 HydrophobicContact CD2-CB 4.38Å; A31-L93 HydrophobicContact CB-CD1 4.31Å; A31-L93 HydrophobicContact CB-CD2 3.42Å; A31-L93 VanDerWaalsContact CB-CD2 3.42Å; L42-L93 HydrophobicContact CB-CD1 4.35Å; E43-L93 WeakPolarHBondContact O-CA 3.17Å; A44-L93 HydrophobicContact CB-CD1 4.03Å; F78-L93 HydrophobicContact CE2-CD1 3.74Å; F78-L93 HydrophobicContact CZ-CD1 3.83Å; L93-Q103 VanDerWaalsContact O-CA 3.3Å; L93-Q103 WeakPolarHBondContact O-CA 3.46Å; L93-L104 HydrophobicContact CB-CB 4.36Å; L93-L104 PolarHBondContact N-O 2.83Å; L93-L104 PolarHBondContact O-N 2.83Å
94R91.5Very high85.2Confident98 Ų9852.1 Ų52.137%0.3730%0.298SS..EExtended strand (participates in β ladder)trans-130.1153.3-178.2-64.7178.1178.8158.91110.7L42 E43 Q103L42-R94 CarbonylContact C-O 3.47Å; L42-R94 WeakPolarHBondContact CA-O 3.27Å; E43-R94 PolarHBondContact N-O 2.84Å; E43-R94 PolarHBondContact O-N 2.87Å; R94-Q103 HydrophobicContact CG-CB 4.34Å
95T89.1Confident85.8Confident4 Ų452.5 Ų52.53%0.02529%0.293CS..EExtended strand (participates in β ladder)trans-81.8154.6171.861.70000111.4V5 L6 L39 L42 P97 H98 F99 V102V5-T95 HydrophobicContact CG1-CG2 4.29Å; L6-T95 HydrophobicContact CD1-CG2 4.47Å; L6-T95 HydrophobicContact CD2-CG2 4.2Å; L6-T95 HydrophobicContact CG-CG2 4.3Å; L39-T95 HydrophobicContact CD1-CG2 3.59Å; L42-T95 HydrophobicContact CD2-CG2 4.26Å; T95-P97 CarbonylContact C-O 3.58Å; T95-P97 VanDerWaalsContact C-O 3.24Å; T95-P97 WeakPolarHBondContact CB-O 3.41Å; T95-P97 CarbonylContact O-C 3.57Å; T95-P97 PolarHBondContact OG1-O 3.26Å; T95-H98 VanDerWaalsContact O-CA 3.29Å; T95-H98 WeakPolarHBondContact O-CA 3.3Å; T95-H98 PolarHBondContact O-N 3.44Å; T95-F99 HydrophobicContact CG2-CD2 4.28Å; T95-F99 PolarHBondContact OG1-N 2.84Å; T95-V102 HydrophobicContact CG2-CG1 4.01Å
96I88Confident86.5Confident32 Ų3252.5 Ų52.516%0.16429%0.289CS..EExtended strand (participates in β ladder)trans-117.9118.2168.4-51.3174000108.4R40 G41 E43 W60R40-I96 CarbonylContact C-O 3.56Å; R40-I96 WeakPolarHBondContact CA-O 3.31Å; R40-I96 WeakPolarHBondContact CB-O 3.2Å; R40-I96 PolarHBondContact N-O 3.45Å; G41-I96 PolarHBondContact N-O 2.87Å; G41-I96 PolarHBondContact O-N 3.41Å; E43-I96 HydrophobicContact CB-CD1 4.13Å; E43-I96 HydrophobicContact CB-CG1 4.21Å; W60-I96 HydrophobicContact CE3-CG2 4.46Å; W60-I96 HydrophobicContact CH2-CD1 4.03Å; W60-I96 HydrophobicContact CH2-CG2 3.64Å; W60-I96 HydrophobicContact CZ2-CD1 4.22Å; W60-I96 HydrophobicContact CZ3-CB 4.22Å; W60-I96 HydrophobicContact CZ3-CD1 4.21Å; W60-I96 HydrophobicContact CZ3-CG2 3.45Å; W60-I96 VanDerWaalsContact CZ3-CG2 3.45Å
97P86.1Confident87.3Confident66 Ų6659 Ų5943%0.42931%0.313SS..SBendcis-65.7162.1-8.230.8-34000112H38 T95 F99H38-P97 WeakPolarHBondContact O-CD 3.49Å; T95-P97 CarbonylContact C-O 3.58Å; T95-P97 VanDerWaalsContact C-O 3.24Å; T95-P97 WeakPolarHBondContact CB-O 3.41Å; T95-P97 CarbonylContact O-C 3.57Å; T95-P97 PolarHBondContact OG1-O 3.26Å; P97-F99 HydrophobicContact CG-CE1 3.93Å; P97-F99 WeakPolarHBondContact O-CD1 3.28Å; P97-F99 PolarHBondContact O-N 2.04Å
98H86.1Confident87.4Confident104 Ų10459 Ų5948%0.48131%0.313SS..  trans-68.8114.4-176.8-172.461.2000110.8T95T95-H98 VanDerWaalsContact O-CA 3.29Å; T95-H98 WeakPolarHBondContact O-CA 3.3Å; T95-H98 PolarHBondContact O-N 3.44Å
99F83.8Confident87.4Confident42 Ų4259 Ų5918%0.18432%0.316CS..  trans-87.8125.7173.8-62.7-14.3000108.9V5 H38 L39 T95 P97 G101 V102V5-F99 HydrophobicContact CG2-CD2 4.41Å; V5-F99 HydrophobicContact CG2-CE2 4.45Å; H38-F99 HydrophobicContact CB-CE1 4.04Å; H38-F99 HydrophobicContact CB-CZ 3.65Å; L39-F99 HydrophobicContact CD1-CE2 4.44Å; T95-F99 HydrophobicContact CG2-CD2 4.28Å; T95-F99 PolarHBondContact OG1-N 2.84Å; P97-F99 HydrophobicContact CG-CE1 3.93Å; P97-F99 WeakPolarHBondContact O-CD1 3.28Å; P97-F99 PolarHBondContact O-N 2.04Å; F99-G101 PolarHBondContact O-N 3.39Å; F99-V102 HydrophobicContact CB-CB 3.88Å; F99-V102 HydrophobicContact CB-CG2 3.81Å; F99-V102 PolarHBondContact O-N 2.84Å
100C80.8Confident86.8Confident125 Ų12558.9 Ų58.985%0.84532%0.315SS*.THydrogen-bonded Turntrans-55.5128.1-179.7-63.80000111.2V102C100-V102 PolarHBondContact O-N 2.85Å
101G77.9Confident85.6Confident79 Ų7961.2 Ų61.281%0.81433%0.329SS*.THydrogen-bonded Turntrans75.32.4178.800000115.3F99F99-G101 PolarHBondContact O-N 3.39Å
102V83.3Confident83.9Confident36 Ų3661.8 Ų61.822%0.21833%0.333CS..  trans-10780.9178.1-172.80000109.1V5 L6 T95 F99 C100V5-V102 HydrophobicContact CB-CG1 4.07Å; L6-V102 HydrophobicContact CB-CG1 4.47Å; L6-V102 HydrophobicContact CD1-CG1 3.95Å; L6-V102 HydrophobicContact CG-CG1 3.82Å; T95-V102 HydrophobicContact CG2-CG1 4.01Å; F99-V102 HydrophobicContact CB-CB 3.88Å; F99-V102 HydrophobicContact CB-CG2 3.81Å; F99-V102 PolarHBondContact O-N 2.84Å; C100-V102 PolarHBondContact O-N 2.85Å
103Q86.8Confident82.3Confident92 Ų9263.2 Ų63.243%0.4335%0.351SS..EExtended strand (participates in β ladder)trans-140.4149.2172.165.6-177.5-8.600109.9L93 R94L93-Q103 VanDerWaalsContact O-CA 3.3Å; L93-Q103 WeakPolarHBondContact O-CA 3.46Å; R94-Q103 HydrophobicContact CG-CB 4.34Å
104L87.8Confident81Confident44 Ų4470.2 Ų70.223%0.2338%0.381CS..EExtended strand (participates in β ladder)trans-116.2141.5169.3-67.2177000108.9L6 L9 T92 L93L6-L104 HydrophobicContact CB-CD1 3.71Å; L6-L104 HydrophobicContact CB-CG 3.86Å; L6-L104 HydrophobicContact CD1-CG 4.08Å; L9-L104 HydrophobicContact CB-CB 3.93Å; L9-L104 HydrophobicContact CB-CD1 3.84Å; L9-L104 HydrophobicContact CD2-CB 3.99Å; T92-L104 CarbonylContact C-O 3.58Å; T92-L104 WeakPolarHBondContact CA-O 3.06Å; L93-L104 HydrophobicContact CB-CB 4.36Å; L93-L104 PolarHBondContact N-O 2.83Å; L93-L104 PolarHBondContact O-N 2.83Å
105D90.6Very high80.1Confident87 Ų8765.8 Ų65.847%0.46536%0.364SS..EExtended strand (participates in β ladder)trans-131.8150.1175.659.6-92.4000111.2Y90 V91 T92Y90-D105 HydrophobicContact CE1-CB 4.08Å; Y90-D105 HydrophobicContact CE2-CB 4.26Å; Y90-D105 VanDerWaalsContact OH-CB 3.32Å; Y90-D105 WeakPolarHBondContact OH-CB 3.44Å; Y90-D105 PolarHBondContact OH-OD2 2.8Å; V91-D105 CarbonylContact O-C 3.54Å; V91-D105 VanDerWaalsContact O-CA 3.24Å; V91-D105 WeakPolarHBondContact O-CA 3.05Å; T92-D105 HydrophobicContact CG2-CB 4.3Å
106Q88.9Confident79.6Confident66 Ų6667.7 Ų67.731%0.30838%0.378SS..EExtended strand (participates in β ladder)trans-150.8133.9178.6-171.9-179.417.300109.7L9 S11 V91L9-Q106 HydrophobicContact CD2-CB 3.94Å; S11-Q106 PolarHBondContact OG-OE1 2.8Å; V91-Q106 PolarHBondContact N-O 3.02Å; V91-Q106 PolarHBondContact O-N 2.84Å
107K88.8Confident79.4Confident157 Ų15770.2 Ų70.268%0.68339%0.386SS*.EExtended strand (participates in β ladder)trans-81.4131.5166.6-70.5178.1-177.3-177.10109.4L89 Y90L89-K107 WeakPolarHBondContact O-CA 3.09Å; Y90-K107 HydrophobicContact CD2-CG 3.81Å; Y90-K107 HydrophobicContact CE2-CG 4.19Å
108H82.6Confident79.5Confident30 Ų3075 Ų7514%0.13940%0.396CS..EExtended strand (participates in β ladder)trans-128.5127.2177.7-168.982.8000110.4S11 T13 L27 L89 V91S11-H108 PolarHBondContact OG-ND1 2.83Å; T13-H108 PolarHBondContact OG1-NE2 3.11Å; L27-H108 WeakPolarHBondContact CD1-CD2 3.08Å; L27-H108 VanDerWaalsContact CD1-NE2 3.31Å; L27-H108 WeakPolarHBondContact CD1-NE2 3.26Å; L89-H108 PolarHBondContact N-O 2.73Å; L89-H108 PolarHBondContact O-N 2.78Å; V91-H108 HydrophobicContact CG2-CB 4.18Å
109L82.5Confident79.6Confident89 Ų8972.7 Ų72.747%0.46639%0.389SS..EExtended strand (participates in β ladder)trans-100.8122.4170.4176.660000108.2E111L109-E111 PolarHBondContact O-N 2.69Å; L109-E111 VanDerWaalsContact O-N 3.08Å
110V77.1Confident79.8Confident0 Ų072.6 Ų72.60%039%0.39CS..  trans-72.5105176.5-177.30000108.6T13 L25 V83 S84 A86 Q87 L89 A112T13-V110 HydrophobicContact CG2-CG1 3.97Å; L25-V110 HydrophobicContact CD1-CG1 4.23Å; V83-V110 HydrophobicContact CB-CG2 4Å; V83-V110 HydrophobicContact CG2-CG1 4.17Å; V83-V110 HydrophobicContact CG2-CG2 3.9Å; S84-V110 WeakPolarHBondContact O-CB 3.08Å; S84-V110 WeakPolarHBondContact O-CG1 3.08Å; A86-V110 WeakPolarHBondContact CA-O 3.43Å; A86-V110 PolarHBondContact N-O 2.82Å; Q87-V110 HydrophobicContact CB-CG2 4.37Å; Q87-V110 PolarHBondContact O-N 2.9Å; Q87-V110 VanDerWaalsContact O-N 3.08Å; L89-V110 HydrophobicContact CD1-CG2 3.64Å; L89-V110 HydrophobicContact CG-CG2 4.44Å; V110-A112 PolarHBondContact O-N 3.09Å
111E67.8Low80.1Confident122 Ų12271.6 Ų71.657%0.5737%0.369SS*.  trans-59.5114.7179-66.3-169167.200110.6L109L109-E111 PolarHBondContact O-N 2.69Å; L109-E111 VanDerWaalsContact O-N 3.08Å
112A57.8Low80.6Confident12 Ų1279.4 Ų79.410%0.09937%0.374CS..  trans-67.1131.1161.900000108.9V85 A86 V110 K114 I191V85-A112 HydrophobicContact CB-CB 4.49Å; V85-A112 VanDerWaalsContact CG1-CA 3.41Å; V85-A112 HydrophobicContact CG1-CB 3.05Å; A86-A112 HydrophobicContact CB-CB 4.15Å; V110-A112 PolarHBondContact O-N 3.09Å; A112-K114 PolarHBondContact O-N 2.85Å; A112-K114 VanDerWaalsContact O-N 3.11Å; A112-I191 HydrophobicContact CB-CD1 3.57Å; A112-I191 HydrophobicContact CB-CG1 3.72Å; A112-I191 VanDerWaalsContact O-CD1 3.25Å; A112-I191 WeakPolarHBondContact O-CD1 3.08Å
113G59.4Low80.8Confident43 Ų4387.2 Ų87.244%0.44340%0.399SS..SBendtrans-6.6100179.800000114.5L115 I191G113-L115 PolarHBondContact O-N 2.76Å; G113-I191 WeakPolarHBondContact O-CD1 3.34Å
114K63.6Low80.9Confident147 Ų14788.4 Ų88.464%0.63940%0.403SS*.  trans-58.6108.1-174.1-169.5169.5-171.7157.50109.9A112 S116A112-K114 PolarHBondContact O-N 2.85Å; A112-K114 VanDerWaalsContact O-N 3.11Å; K114-S116 PolarHBondContact O-N 2.87Å
115L73.2Confident81Confident4 Ų486.5 Ų86.52%0.02139%0.393CS..  trans-65.1119.4167.7-67.9170.9000107.4G113 V128 V130 Y139 V141 L179 I193G113-L115 PolarHBondContact O-N 2.76Å; L115-V128 HydrophobicContact CB-CG1 4.32Å; L115-V128 HydrophobicContact CD2-CG1 4.17Å; L115-V130 HydrophobicContact CD2-CB 4.48Å; L115-V130 HydrophobicContact CD2-CG2 4.01Å; L115-Y139 HydrophobicContact CD1-CE1 4.1Å; L115-Y139 HydrophobicContact CD2-CD1 4.12Å; L115-Y139 HydrophobicContact CD2-CE1 3.72Å; L115-Y139 HydrophobicContact CG-CE1 4.24Å; L115-V141 HydrophobicContact CD1-CG1 4.39Å; L115-L179 HydrophobicContact CD1-CD2 4.38Å; L115-I193 HydrophobicContact CB-CD1 4.26Å
116S78.6Confident80.9Confident44 Ų4482.3 Ų82.331%0.30837%0.371SS..EExtended strand (participates in β ladder)trans-80.6137.6167.542.50000108.6K114 Q129K114-S116 PolarHBondContact O-N 2.87Å; S116-Q129 PolarHBondContact N-O 2.86Å; S116-Q129 PolarHBondContact O-N 2.84Å; S116-Q129 VanDerWaalsContact OG-CB 3.27Å; S116-Q129 WeakPolarHBondContact OG-CB 3.38Å; S116-Q129 WeakPolarHBondContact OG-CG 3.41Å; S116-Q129 PolarHBondContact OG-O 2.81Å; S116-Q129 PolarHBondContact OG-OE1 3.08Å
117Y84.9Confident80.9Confident86 Ų8681.7 Ų81.734%0.33737%0.37SS..EExtended strand (participates in β ladder)trans-136.9153.1178.772.7-87.1000111.2V119 L127 I193 P195Y117-V119 HydrophobicContact CD2-CG2 4.25Å; Y117-V119 HydrophobicContact CE2-CG2 4.23Å; Y117-L127 CarbonylContact C-O 3.58Å; Y117-L127 WeakPolarHBondContact CA-O 3.42Å; Y117-I193 HydrophobicContact CD1-CG2 4.12Å; Y117-I193 HydrophobicContact CE1-CG2 3.56Å; Y117-P195 HydrophobicContact CD2-CB 4.29Å; Y117-P195 HydrophobicContact CD2-CG 4.06Å; Y117-P195 HydrophobicContact CE2-CB 3.69Å; Y117-P195 HydrophobicContact CE2-CG 3.81Å
118W87.6Confident80.9Confident166 Ų16674.2 Ų74.263%0.62934%0.337SS*.EExtended strand (participates in β ladder)trans-134138.7174.5-4895.6000108.6I126 L127W118-I126 CarbonylContact O-C 3.56Å; W118-I126 WeakPolarHBondContact O-CA 3.45Å; W118-L127 HydrophobicContact CB-CB 4.3Å; W118-L127 PolarHBondContact N-O 3.29Å; W118-L127 PolarHBondContact O-N 2.04Å
119V87.8Confident80.9Confident56 Ų5676.4 Ų76.434%0.33935%0.348SS..EExtended strand (participates in β ladder)trans-99.4116177.7-177.60000108.8Y117 R121 I126 Y172 P195 F196Y117-V119 HydrophobicContact CD2-CG2 4.25Å; Y117-V119 HydrophobicContact CE2-CG2 4.23Å; V119-R121 HydrophobicContact CG1-CG 4.04Å; V119-I126 HydrophobicContact CG2-CG1 4.47Å; V119-Y172 HydrophobicContact CG1-CE1 4.42Å; V119-P195 HydrophobicContact CG2-CB 3.94Å; V119-F196 HydrophobicContact CG1-CE1 3.7Å; V119-F196 HydrophobicContact CG1-CZ 3.77Å; V119-F196 HydrophobicContact CG2-CE1 4.44Å; V119-F196 HydrophobicContact CG2-CZ 4.45Å
120D87.9Confident80.7Confident39 Ų3972.6 Ų72.621%0.20933%0.328CS..EExtended strand (participates in β ladder)trans-98.692.5170.8-174-16.5000109.3R122 R123 K124 A125D120-R122 VanDerWaalsContact C-N 3.26Å; D120-R122 PolarHBondContact O-N 3.44Å; D120-R122 WeakPolarHBondContact OD1-CB 3.09Å; D120-R122 PolarHBondContact OD1-N 3.1Å; D120-R123 HydrophobicContact CB-CB 4.41Å; D120-R123 PolarHBondContact O-N 2.83Å; D120-R123 PolarHBondContact OD1-N 3.05Å; D120-R123 WeakPolarHBondContact OD2-CD 3.28Å; D120-R123 VanDerWaalsContact OD2-CG 3.27Å; D120-R123 WeakPolarHBondContact OD2-CG 3.32Å; D120-R123 IonicContact OD2-NE 2.8Å; D120-K124 WeakPolarHBondContact O-CA 3.36Å; D120-K124 PolarHBondContact O-N 3.21Å; D120-A125 PolarHBondContact N-O 2.85Å; D120-A125 PolarHBondContact O-N 3.03Å
121R87.5Confident80.3Confident104 Ų10475.3 Ų75.339%0.39235%0.346SS..THydrogen-bonded Turntrans-65.2-27.5178.4-65.4-165.7-175.4175.53113.1V119 K124 D199 E201V119-R121 HydrophobicContact CG1-CG 4.04Å; R121-K124 PolarHBondContact O-N 3.32Å; R121-D199 IonicContact CZ-OD2 2.62Å; R121-D199 IonicContact NH2-OD1 3.83Å; R121-D199 IonicContact NH2-OD2 3.64Å; R121-D199 PolarHBondContact NH2-OD2 3.3Å; R121-E201 IonicContact CZ-OE2 3.7Å; R121-E201 IonicContact NH1-OE1 2.95Å; R121-E201 PolarHBondContact NH1-OE1 3.18Å; R121-E201 IonicContact NH1-OE2 2.75Å; R121-E201 PolarHBondContact NH1-OE2 3.42Å
122R87.4Confident80.1Confident244 Ų24478.8 Ų78.892%0.92135%0.353SS*.THydrogen-bonded Turntrans-68.9-39.8179.6-64.5-176178.9-170.4-0111.1D120D120-R122 VanDerWaalsContact C-N 3.26Å; D120-R122 PolarHBondContact O-N 3.44Å; D120-R122 WeakPolarHBondContact OD1-CB 3.09Å; D120-R122 PolarHBondContact OD1-N 3.1Å
123R88.5Confident80Confident199 Ų19980.7 Ų80.775%0.75137%0.369SS*.THydrogen-bonded Turntrans-91.5-1.6177.5-61.7-174.6-176.3-171.8-1.1113.4D120 A125D120-R123 HydrophobicContact CB-CB 4.41Å; D120-R123 PolarHBondContact O-N 2.83Å; D120-R123 PolarHBondContact OD1-N 3.05Å; D120-R123 WeakPolarHBondContact OD2-CD 3.28Å; D120-R123 VanDerWaalsContact OD2-CG 3.27Å; D120-R123 WeakPolarHBondContact OD2-CG 3.32Å; D120-R123 IonicContact OD2-NE 2.8Å; R123-A125 VanDerWaalsContact C-N 3.28Å; R123-A125 HydrophobicContact CB-CB 4.4Å; R123-A125 PolarHBondContact O-N 3.17Å
124K88.8Confident79.4Confident117 Ų11785 Ų8551%0.50939%0.392SS..THydrogen-bonded Turntrans46.752.6-170.7-62.8-173.1173.1-171.20111.5D120 R121 P171 Y172D120-K124 WeakPolarHBondContact O-CA 3.36Å; D120-K124 PolarHBondContact O-N 3.21Å; R121-K124 PolarHBondContact O-N 3.32Å; K124-P171 CarbonylContact O-C 3.57Å; K124-P171 WeakPolarHBondContact O-CA 3.44Å; K124-Y172 HydrophobicContact CB-CD2 4.2Å; K124-Y172 HydrophobicContact CB-CE1 4.49Å; K124-Y172 HydrophobicContact CB-CE2 3.92Å; K124-Y172 HydrophobicContact CG-CE2 4.27Å; K124-Y172 VanDerWaalsContact O-CD1 3.3Å; K124-Y172 WeakPolarHBondContact O-CD1 3.31Å; K124-Y172 PolarHBondContact O-N 3.24Å
125A90.3Very high79.1Confident4 Ų482 Ų823%0.03340%0.403CS..EExtended strand (participates in β ladder)trans-140147.4-177.700000112.7D120 R123 S169 L170D120-A125 PolarHBondContact N-O 2.85Å; D120-A125 PolarHBondContact O-N 3.03Å; R123-A125 VanDerWaalsContact C-N 3.28Å; R123-A125 HydrophobicContact CB-CB 4.4Å; R123-A125 PolarHBondContact O-N 3.17Å; A125-S169 WeakPolarHBondContact CB-OG 3.47Å; A125-L170 CarbonylContact C-O 3.55Å; A125-L170 VanDerWaalsContact CA-O 3.31Å; A125-L170 WeakPolarHBondContact CA-O 3.07Å
126I88.6Confident78.6Confident0 Ų083.1 Ų83.10%041%0.411CS..EExtended strand (participates in β ladder)trans-99.8120.2169.7-62.1163.7000107.7W118 V119 V128 L143 L170 Y172 P177 P195 F196W118-I126 CarbonylContact O-C 3.56Å; W118-I126 WeakPolarHBondContact O-CA 3.45Å; V119-I126 HydrophobicContact CG2-CG1 4.47Å; I126-V128 HydrophobicContact CG2-CG2 3.93Å; I126-L143 HydrophobicContact CD1-CD2 3.76Å; I126-L170 PolarHBondContact N-O 3.14Å; I126-L170 PolarHBondContact O-N 2.95Å; I126-Y172 HydrophobicContact CD1-CD1 4.44Å; I126-Y172 HydrophobicContact CG1-CD1 4.08Å; I126-Y172 HydrophobicContact CG1-CE1 4.25Å; I126-P177 HydrophobicContact CD1-CG 4.34Å; I126-P195 HydrophobicContact CD1-CG 4.04Å; I126-F196 HydrophobicContact CD1-CE2 3.94Å; I126-F196 HydrophobicContact CD1-CZ 4.39Å; I126-F196 HydrophobicContact CG1-CZ 4.49Å
127L89.3Confident78.1Confident53 Ų5384 Ų8428%0.27742%0.416SS..EExtended strand (participates in β ladder)trans-88.7117.4173.1-60.9173.5000108.3Y117 W118 V167 V168Y117-L127 CarbonylContact C-O 3.58Å; Y117-L127 WeakPolarHBondContact CA-O 3.42Å; W118-L127 HydrophobicContact CB-CB 4.3Å; W118-L127 PolarHBondContact N-O 3.29Å; W118-L127 PolarHBondContact O-N 2.04Å; L127-V167 HydrophobicContact CB-CG1 4.21Å; L127-V167 HydrophobicContact CD2-CG1 4.5Å; L127-V168 CarbonylContact C-O 3.57Å; L127-V168 WeakPolarHBondContact CA-O 3.35Å
128V87.1Confident77.9Confident0 Ų082.1 Ų82.10%041%0.412CS..EExtended strand (participates in β ladder)trans-110.1127.6-178.9-172.40000108.8L115 I126 V141 V167 V168 L170 L179L115-V128 HydrophobicContact CB-CG1 4.32Å; L115-V128 HydrophobicContact CD2-CG1 4.17Å; I126-V128 HydrophobicContact CG2-CG2 3.93Å; V128-V141 HydrophobicContact CG1-CG1 4.2Å; V128-V167 CarbonylContact O-C 3.41Å; V128-V167 VanDerWaalsContact O-CA 3.26Å; V128-V167 WeakPolarHBondContact O-CA 3.31Å; V128-V168 HydrophobicContact CB-CG2 4.14Å; V128-V168 PolarHBondContact N-O 3.43Å; V128-V168 PolarHBondContact O-N 2.64Å; V128-L170 HydrophobicContact CG2-CD1 3.91Å; V128-L179 HydrophobicContact CB-CD2 4.46Å; V128-L179 HydrophobicContact CG1-CD2 3.92Å; V128-L179 HydrophobicContact CG2-CD1 3.62Å; V128-L179 HydrophobicContact CG2-CD2 3.68Å; V128-L179 HydrophobicContact CG2-CG 4.3Å
129Q84.6Confident77.7Confident76 Ų7675.7 Ų75.736%0.35539%0.388SS..EExtended strand (participates in β ladder)trans-109.8120.8175.6174.8-179.815.800109.7S116 R166 V167S116-Q129 PolarHBondContact N-O 2.86Å; S116-Q129 PolarHBondContact O-N 2.84Å; S116-Q129 VanDerWaalsContact OG-CB 3.27Å; S116-Q129 WeakPolarHBondContact OG-CB 3.38Å; S116-Q129 WeakPolarHBondContact OG-CG 3.41Å; S116-Q129 PolarHBondContact OG-O 2.81Å; S116-Q129 PolarHBondContact OG-OE1 3.08Å; Q129-R166 WeakPolarHBondContact CA-O 3.02Å; Q129-V167 HydrophobicContact CB-CG2 4.13Å; Q129-V167 HydrophobicContact CG-CG2 4.26Å
130V77.4Confident77.7Confident9 Ų976.1 Ų76.16%0.05538%0.383CS..  trans-88.6136178.7-176.60000109.6L115 Y139 V159 R166L115-V130 HydrophobicContact CD2-CB 4.48Å; L115-V130 HydrophobicContact CD2-CG2 4.01Å; V130-Y139 HydrophobicContact CG1-CD1 4.3Å; V130-Y139 HydrophobicContact CG1-CD2 4.1Å; V130-Y139 HydrophobicContact CG1-CG 3.8Å; V130-Y139 HydrophobicContact CG2-CD1 4.37Å; V130-Y139 HydrophobicContact CG2-CG 4.49Å; V130-V159 HydrophobicContact CB-CG1 4.32Å; V130-V159 HydrophobicContact CG2-CB 4.06Å; V130-V159 HydrophobicContact CG2-CG1 3.95Å; V130-V159 HydrophobicContact CG2-CG2 3.98Å; V130-R166 HydrophobicContact CB-CB 4.33Å; V130-R166 PolarHBondContact N-O 2.82Å
131P68.6Low77.7Confident57 Ų5774.2 Ų74.237%0.3737%0.374SS..  trans-52.5139.1-179.9-26.933.7000112.8R166P131-R166 PolarHBondContact O-NH1 3.31Å
132R62.9Low77.8Confident195 Ų19570.4 Ų70.474%0.73636%0.359SS*.  trans-82.8110.7173-80.1-177.9177.4155.3-1.8109.8V164R132-V164 PolarHBondContact NH2-O 2.89Å; R132-V164 VanDerWaalsContact NH2-O 3.15Å
133A55.7Low77.9Confident52 Ų5259.1 Ų59.143%0.4332%0.317SS..  trans-133130.8164.300000108.9G135 S136 R166A133-G135 PolarHBondContact O-N 2.84Å; A133-S136 WeakPolarHBondContact O-CB 3.29Å; A133-S136 PolarHBondContact O-N 2.67Å; A133-S136 PolarHBondContact O-OG 2.79Å; A133-R166 PolarHBondContact O-NH2 3.3Å
134S48Very low77.8Confident133 Ų13349.7 Ų49.793%0.9328%0.281SS*.THydrogen-bonded Turntrans-64.9127176.2-54.10000108.9S136S134-S136 VanDerWaalsContact C-N 3.33Å
135G56.8Low77.6Confident83 Ų8345.7 Ų45.786%0.85627%0.265SS*.THydrogen-bonded Turntrans77.79.7-175.400000115.5A133A133-G135 PolarHBondContact O-N 2.84Å
136S62.4Low76.9Confident29 Ų2948.6 Ų48.620%0.20328%0.276CS..PPolyproline II helixtrans-65.3141.8175.264.60000111.5A133 S134 A161 R166A133-S136 WeakPolarHBondContact O-CB 3.29Å; A133-S136 PolarHBondContact O-N 2.67Å; A133-S136 PolarHBondContact O-OG 2.79Å; S134-S136 VanDerWaalsContact C-N 3.33Å; S136-A161 WeakPolarHBondContact O-CB 3.45Å; S136-R166 PolarHBondContact OG-NH1 3.31Å; S136-R166 PolarHBondContact OG-NH2 3.04Å
137P69Low76.2Confident62 Ų6253.5 Ų53.540%0.40330%0.295SS..PPolyproline II helixtrans-60.7160170.328.2-35.5000110.9T185P137-T185 HydrophobicContact CB-CG2 3.8Å; P137-T185 HydrophobicContact CG-CG2 3.69Å
138D80.9Confident75Confident47 Ų4760.9 Ų60.925%0.25133%0.325SS..PPolyproline II helixtrans-57.8158171.8-69.2-14.5000110.8Q158 T160 A161 S183 A184D138-Q158 HydrophobicContact CB-CG 4.16Å; D138-Q158 PolarHBondContact OD2-NE2 2.84Å; D138-T160 VanDerWaalsContact OD1-CA 3.25Å; D138-T160 WeakPolarHBondContact OD1-CA 3.42Å; D138-A161 PolarHBondContact OD1-N 3.15Å; D138-A161 VanDerWaalsContact OD1-N 3.1Å; D138-S183 CarbonylContact O-C 3.58Å; D138-A184 HydrophobicContact CB-CB 3.78Å; D138-A184 WeakPolarHBondContact O-CB 3.49Å; D138-A184 PolarHBondContact O-N 2.83Å
139Y83.1Confident74Confident31 Ų3165.8 Ų65.812%0.12236%0.355CS..EExtended strand (participates in β ladder)trans-126.9131.3-175.7-143.1-89.1000110.4L115 V130 V141 Q158 V159 W182 I191L115-Y139 HydrophobicContact CD1-CE1 4.1Å; L115-Y139 HydrophobicContact CD2-CD1 4.12Å; L115-Y139 HydrophobicContact CD2-CE1 3.72Å; L115-Y139 HydrophobicContact CG-CE1 4.24Å; V130-Y139 HydrophobicContact CG1-CD1 4.3Å; V130-Y139 HydrophobicContact CG1-CD2 4.1Å; V130-Y139 HydrophobicContact CG1-CG 3.8Å; V130-Y139 HydrophobicContact CG2-CD1 4.37Å; V130-Y139 HydrophobicContact CG2-CG 4.49Å; Y139-V141 HydrophobicContact CD1-CG1 4.05Å; Y139-V141 HydrophobicContact CE1-CG1 4.5Å; Y139-Q158 CarbonylContact O-C 3.56Å; Y139-V159 PolarHBondContact N-O 2.93Å; Y139-V159 PolarHBondContact O-N 3.35Å; Y139-W182 WeakPolarHBondContact CD1-O 3.12Å; Y139-I191 WeakPolarHBondContact OH-CD1 3.06Å
140Y86.2Confident73.4Confident64 Ų6463 Ų6325%0.25134%0.344SS..EExtended strand (participates in β ladder)trans-97.7136.3174-67.4-78.6000109.7P156 V157 Q158 G181 W182 A184Y140-P156 HydrophobicContact CD1-CB 4.36Å; Y140-V157 WeakPolarHBondContact CA-O 3.39Å; Y140-Q158 HydrophobicContact CD1-CB 3.94Å; Y140-Q158 HydrophobicContact CD1-CG 4.26Å; Y140-Q158 HydrophobicContact CE1-CB 3.66Å; Y140-Q158 HydrophobicContact CE1-CG 3.76Å; Y140-G181 CarbonylContact O-C 3.55Å; Y140-G181 WeakPolarHBondContact O-CA 3.08Å; Y140-W182 VanDerWaalsContact CB-CZ2 3.49Å; Y140-W182 AromaticContact CD2-NE1 3.45Å; Y140-W182 AromaticContact CG-CE2 3.94Å; Y140-W182 HydrophobicContact CG-CZ2 4.03Å; Y140-W182 AromaticContact CG-NE1 3.8Å; Y140-W182 PolarHBondContact N-O 2.9Å; Y140-W182 PolarHBondContact O-N 2.86Å; Y140-A184 HydrophobicContact CD2-CB 4.07Å; Y140-A184 HydrophobicContact CE2-CB 3.51Å
141V89Confident73.7Confident0 Ų066.9 Ų66.90%036%0.361CS..EExtended strand (participates in β ladder)trans-132.6145.8172.3-64.20000110.4L115 V128 Y139 V157 V159 V168 L170 L179 C180L115-V141 HydrophobicContact CD1-CG1 4.39Å; V128-V141 HydrophobicContact CG1-CG1 4.2Å; Y139-V141 HydrophobicContact CD1-CG1 4.05Å; Y139-V141 HydrophobicContact CE1-CG1 4.5Å; V141-V157 HydrophobicContact CG2-CB 4.23Å; V141-V157 PolarHBondContact N-O 3Å; V141-V157 PolarHBondContact O-N 3.38Å; V141-V159 HydrophobicContact CG2-CG2 4.2Å; V141-V168 HydrophobicContact CG2-CG2 3.65Å; V141-L170 HydrophobicContact CB-CD1 4.37Å; V141-L170 HydrophobicContact CG2-CD1 4.15Å; V141-L179 HydrophobicContact CB-CD1 4.34Å; V141-C180 CarbonylContact C-O 3.51Å; V141-C180 VanDerWaalsContact CA-O 3.31Å; V141-C180 WeakPolarHBondContact CA-O 3.38Å
142R89.6Confident74.4Confident24 Ų2468.5 Ų68.59%0.09137%0.367CS..EExtended strand (participates in β ladder)trans-153.2163.417770.8-178.4175177.214.2111.4D152 P156 C180 W182R142-D152 IonicContact CZ-OD1 2.64Å; R142-D152 IonicContact CZ-OD2 2.67Å; R142-D152 IonicContact NE-OD1 3.6Å; R142-D152 IonicContact NH1-OD1 2.91Å; R142-D152 PolarHBondContact NH1-OD1 2.79Å; R142-D152 IonicContact NH1-OD2 2.72Å; R142-D152 PolarHBondContact NH1-OD2 2.79Å; R142-D152 IonicContact NH2-OD1 3.77Å; R142-D152 PolarHBondContact NH2-OD1 3.06Å; R142-D152 IonicContact NH2-OD2 2.91Å; R142-P156 HydrophobicContact CB-CB 4.38Å; R142-C180 HydrophobicContact CG-CB 3.96Å; R142-C180 PolarHBondContact N-O 2.99Å; R142-C180 PolarHBondContact O-N 3.15Å; R142-W182 HydrophobicContact CG-CH2 4.21Å; R142-W182 HydrophobicContact CG-CZ3 3.91Å
143L90Very high75.3Confident7 Ų761.4 Ų61.44%0.03735%0.345CS..EExtended strand (participates in β ladder)trans-88.3151.5165.9-60.1-178000110.1I126 V153 L170 P171 P177 C178I126-L143 HydrophobicContact CD1-CD2 3.76Å; L143-V153 HydrophobicContact CB-CB 4.12Å; L143-V153 HydrophobicContact CB-CG1 4.37Å; L143-V153 PolarHBondContact O-N 3.4Å; L143-L170 HydrophobicContact CD1-CB 4.12Å; L143-L170 HydrophobicContact CD2-CB 4.09Å; L143-L170 HydrophobicContact CD2-CD1 4Å; L143-L170 HydrophobicContact CG-CB 4Å; L143-L170 HydrophobicContact CG-CD1 4.25Å; L143-P171 VanDerWaalsContact CD1-O 3.28Å; L143-P171 WeakPolarHBondContact CD1-O 3.41Å; L143-P177 HydrophobicContact CB-CB 3.98Å; L143-P177 HydrophobicContact CD1-CB 4.23Å; L143-P177 HydrophobicContact CD1-CG 4.2Å; L143-P177 HydrophobicContact CD2-CB 4.22Å; L143-P177 HydrophobicContact CD2-CG 4.45Å; L143-P177 HydrophobicContact CG-CB 4.36Å; L143-C178 CarbonylContact C-O 3.6Å; L143-C178 WeakPolarHBondContact CA-O 3.46Å
144C86.6Confident76.5Confident0 Ų061.8 Ų61.80%036%0.355CS..EExtended strand (participates in β ladder)trans-153.5160.1174.655.40000111.3C150 E151 P177 C178 C180C144-C150 HydrophobicContact CB-CB 3.49Å; C144-C150 VanDerWaalsContact CB-CB 3.49Å; C144-C150 WeakPolarHBondContact CB-SG 3.44Å; C144-C150 WeakPolarHBondContact SG-CB 3.38Å; C144-C150 CovalentContact SG-SG 2.04Å; C144-C150 PolarHBondContact SG-SG 3.05Å; C144-E151 CarbonylContact C-O 3.59Å; C144-E151 WeakPolarHBondContact CA-O 3.24Å; C144-E151 WeakPolarHBondContact CB-O 3.36Å; C144-P177 CarbonylContact O-C 3.52Å; C144-P177 WeakPolarHBondContact O-CA 3.44Å; C144-C178 PolarHBondContact N-O 3.3Å; C144-C178 PolarHBondContact O-N 2.83Å; C144-C180 PolarHBondContact SG-SG 3.19Å
145H82.8Confident78.2Confident34 Ų3459.3 Ų59.316%0.15734%0.342CS..EExtended strand (participates in β ladder)trans-87.2135.3166.7-68.2-64.1000110.3R147 E151 V153 L176H145-R147 PolarHBondContact O-N 2.86Å; H145-E151 HydrophobicContact CB-CB 4.42Å; H145-E151 PolarHBondContact N-O 3.26Å; H145-E151 PolarHBondContact O-N 2.79Å; H145-V153 WeakPolarHBondContact CD2-CG2 3.36Å; H145-V153 WeakPolarHBondContact NE2-CG2 3.29Å; H145-L176 PolarHBondContact ND1-O 3.48Å
146K76.9Confident79.7Confident65 Ų6558.5 Ų58.528%0.28332%0.322SS..  trans-60.2122.2174.3-165.8170.8-171.1168.90107.7E197 P226K146-E197 IonicContact NZ-OE1 3.61Å; K146-E197 PolarHBondContact NZ-OE1 2.81Å; K146-E197 IonicContact NZ-OE2 2.69Å; K146-E197 PolarHBondContact NZ-OE2 3.43Å; K146-P226 HydrophobicContact CG-CG 4.4Å; K146-P226 WeakPolarHBondContact O-CD 3.44Å
147R72.8Confident80.9Confident102 Ų10259.6 Ų59.639%0.38533%0.327SS..SBendtrans-141.8-154.9162.4-59.8-170.1-176.3-96.56.5107.9H145 T149 E151H145-R147 PolarHBondContact O-N 2.86Å; R147-T149 VanDerWaalsContact C-N 3.3Å; R147-T149 WeakPolarHBondContact CB-O 3.37Å; R147-E151 IonicContact CZ-OE2 2.62Å; R147-E151 IonicContact NE-OE2 3.15Å; R147-E151 PolarHBondContact NE-OE2 3.37Å; R147-E151 IonicContact NH2-OE2 3.5Å; R147-E151 PolarHBondContact NH2-OE2 2.98Å
148F65.3Low81.7Confident208 Ų20861 Ų6191%0.91233%0.328SS*.SBendtrans-62-41.8170.8-175.5-100.4000111.4
149T64.9Low81.8Confident104 Ų10459 Ų5964%0.63832%0.318SS*.SBendtrans-119.9147.8164.449.10000108.1R147 E151R147-T149 VanDerWaalsContact C-N 3.3Å; R147-T149 WeakPolarHBondContact CB-O 3.37Å; T149-E151 PolarHBondContact O-N 3.44Å; T149-E151 VanDerWaalsContact O-N 3.17Å
150C73.3Confident81.6Confident18 Ų1859.9 Ų59.912%0.12233%0.326CS..PPolyproline II helixtrans-64.1120.9-179-122.40000110.5C144 Q192C144-C150 HydrophobicContact CB-CB 3.49Å; C144-C150 VanDerWaalsContact CB-CB 3.49Å; C144-C150 WeakPolarHBondContact CB-SG 3.44Å; C144-C150 WeakPolarHBondContact SG-CB 3.38Å; C144-C150 CovalentContact SG-SG 2.04Å; C144-C150 PolarHBondContact SG-SG 3.05Å; C150-Q192 PolarHBondContact SG-NE2 2.89Å
151E83.4Confident80.5Confident89 Ų8958.1 Ų58.142%0.41633%0.325SS..EExtended strand (participates in β ladder)trans-82.6123.4176.8-179.2177.6-145.900109.2C144 H145 R147 T149 V153C144-E151 CarbonylContact C-O 3.59Å; C144-E151 WeakPolarHBondContact CA-O 3.24Å; C144-E151 WeakPolarHBondContact CB-O 3.36Å; H145-E151 HydrophobicContact CB-CB 4.42Å; H145-E151 PolarHBondContact N-O 3.26Å; H145-E151 PolarHBondContact O-N 2.79Å; R147-E151 IonicContact CZ-OE2 2.62Å; R147-E151 IonicContact NE-OE2 3.15Å; R147-E151 PolarHBondContact NE-OE2 3.37Å; R147-E151 IonicContact NH2-OE2 3.5Å; R147-E151 PolarHBondContact NH2-OE2 2.98Å; T149-E151 PolarHBondContact O-N 3.44Å; T149-E151 VanDerWaalsContact O-N 3.17Å; E151-V153 PolarHBondContact O-N 3.02Å
152D82.5Confident79.2Confident92 Ų9265.7 Ų65.749%0.49237%0.366SS..EExtended strand (participates in β ladder)trans-67.3131.4-165.4-62.5-6.5000112.8R142R142-D152 IonicContact CZ-OD1 2.64Å; R142-D152 IonicContact CZ-OD2 2.67Å; R142-D152 IonicContact NE-OD1 3.6Å; R142-D152 IonicContact NH1-OD1 2.91Å; R142-D152 PolarHBondContact NH1-OD1 2.79Å; R142-D152 IonicContact NH1-OD2 2.72Å; R142-D152 PolarHBondContact NH1-OD2 2.79Å; R142-D152 IonicContact NH2-OD1 3.77Å; R142-D152 PolarHBondContact NH2-OD1 3.06Å; R142-D152 IonicContact NH2-OD2 2.91Å
153V83.1Confident77.8Confident45 Ų4568.7 Ų68.727%0.27338%0.383SS..EExtended strand (participates in β ladder)trans-119.299.2173.7-179.40000108.5L143 H145 E151L143-V153 HydrophobicContact CB-CB 4.12Å; L143-V153 HydrophobicContact CB-CG1 4.37Å; L143-V153 PolarHBondContact O-N 3.4Å; H145-V153 WeakPolarHBondContact CD2-CG2 3.36Å; H145-V153 WeakPolarHBondContact NE2-CG2 3.29Å; E151-V153 PolarHBondContact O-N 3.02Å
154G80.3Confident76Confident61 Ų6174.5 Ų74.563%0.62942%0.419SS*.EExtended strand (participates in β ladder)trans78.7-179.4-178.600000114.1
155A83.9Confident74.6Confident81 Ų8178.2 Ų78.267%0.66945%0.445SS*.EExtended strand (participates in β ladder)trans-79.2146.9-178.900000111.7
156P86.8Confident74.1Confident65 Ų6577.7 Ų77.742%0.42244%0.442SS..EExtended strand (participates in β ladder)trans-66.8139.3172.529.3-33.6000111Y140 R142 W182Y140-P156 HydrophobicContact CD1-CB 4.36Å; R142-P156 HydrophobicContact CB-CB 4.38Å; P156-W182 HydrophobicContact CB-CH2 3.97Å; P156-W182 HydrophobicContact CB-CZ2 4.27Å
157V88.7Confident74.3Confident52 Ų5277.7 Ų77.732%0.31545%0.447SS..EExtended strand (participates in β ladder)trans-99.4124.8174.4-179.60000108.4Y140 V141 V168 L170Y140-V157 WeakPolarHBondContact CA-O 3.39Å; V141-V157 HydrophobicContact CG2-CB 4.23Å; V141-V157 PolarHBondContact N-O 3Å; V141-V157 PolarHBondContact O-N 3.38Å; V157-V168 HydrophobicContact CG1-CB 4.4Å; V157-V168 HydrophobicContact CG1-CG1 4.02Å; V157-L170 HydrophobicContact CB-CD2 4.24Å; V157-L170 HydrophobicContact CG2-CD2 3.62Å
158Q86.1Confident75Confident91 Ų9174.1 Ų74.143%0.42544%0.436SS..EExtended strand (participates in β ladder)trans-86.4127.4174.6-171175.8-200110.1D138 Y139 Y140D138-Q158 HydrophobicContact CB-CG 4.16Å; D138-Q158 PolarHBondContact OD2-NE2 2.84Å; Y139-Q158 CarbonylContact O-C 3.56Å; Y140-Q158 HydrophobicContact CD1-CB 3.94Å; Y140-Q158 HydrophobicContact CD1-CG 4.26Å; Y140-Q158 HydrophobicContact CE1-CB 3.66Å; Y140-Q158 HydrophobicContact CE1-CG 3.76Å
159V83.1Confident76.2Confident5 Ų567.5 Ų67.53%0.0342%0.416CS..EExtended strand (participates in β ladder)trans-106.1105.8174.5-1720000107.5V130 Y139 V141 R166 V168V130-V159 HydrophobicContact CB-CG1 4.32Å; V130-V159 HydrophobicContact CG2-CB 4.06Å; V130-V159 HydrophobicContact CG2-CG1 3.95Å; V130-V159 HydrophobicContact CG2-CG2 3.98Å; Y139-V159 PolarHBondContact N-O 2.93Å; Y139-V159 PolarHBondContact O-N 3.35Å; V141-V159 HydrophobicContact CG2-CG2 4.2Å; V159-R166 HydrophobicContact CG1-CB 4.29Å; V159-V168 HydrophobicContact CG2-CB 4.37Å; V159-V168 HydrophobicContact CG2-CG1 3.78Å; V159-V168 HydrophobicContact CG2-CG2 3.64Å
160T77.4Confident77.3Confident50 Ų5063 Ų6331%0.30739%0.388SS..  trans-75.9141-179520000111.8D138 N162 N163D138-T160 VanDerWaalsContact OD1-CA 3.25Å; D138-T160 WeakPolarHBondContact OD1-CA 3.42Å; T160-N162 PolarHBondContact O-N 2.04Å; T160-N162 VanDerWaalsContact O-N 3.11Å; T160-N163 PolarHBondContact O-N 2.91Å; T160-N163 VanDerWaalsContact O-N 3.16Å; T160-N163 PolarHBondContact OG1-ND2 3.29Å
161A63.9Low78.1Confident27 Ų2766.9 Ų66.922%0.22341%0.413CS..THydrogen-bonded Turntrans-60.4-25.6-177.800000114.1S136 D138 R166S136-A161 WeakPolarHBondContact O-CB 3.45Å; D138-A161 PolarHBondContact OD1-N 3.15Å; D138-A161 VanDerWaalsContact OD1-N 3.1Å; A161-R166 PolarHBondContact O-NE 3.32Å; A161-R166 PolarHBondContact O-NH2 3.37Å
162N62.2Low78.3Confident160 Ų16063.5 Ų63.586%0.85640%0.397SS*.THydrogen-bonded Turntrans-82.2-4.8-179.2-109.36.3000115.2T160T160-N162 PolarHBondContact O-N 2.04Å; T160-N162 VanDerWaalsContact O-N 3.11Å
163N59.7Low78.2Confident86 Ų8664 Ų6446%0.4641%0.407SS..  trans-75129.7-176.4-107.8-26.7000112.2T160 S165T160-N163 PolarHBondContact O-N 2.91Å; T160-N163 VanDerWaalsContact O-N 3.16Å; T160-N163 PolarHBondContact OG1-ND2 3.29Å; N163-S165 PolarHBondContact O-N 2.91Å
164V52.6Low77.9Confident130 Ų13066 Ų6679%0.78841%0.414SS*.SBendtrans-59.9-35.2-178.7-176.10000111.3R132R132-V164 PolarHBondContact NH2-O 2.89Å; R132-V164 VanDerWaalsContact NH2-O 3.15Å
165S57.3Low77.7Confident78 Ų7864.5 Ų64.555%0.54539%0.39SS..  trans-112.5103.5168.856.90000110.5N163 V167N163-S165 PolarHBondContact O-N 2.91Å; S165-V167 PolarHBondContact O-N 3.49Å
166R71.9Confident77.3Confident23 Ų2361.4 Ų61.49%0.08736%0.362CS..  trans-76.228.3170.8-64.7-170.2-176.9-166.2-1.9112.7Q129 V130 P131 A133 S136 V159 A161Q129-R166 WeakPolarHBondContact CA-O 3.02Å; V130-R166 HydrophobicContact CB-CB 4.33Å; V130-R166 PolarHBondContact N-O 2.82Å; P131-R166 PolarHBondContact O-NH1 3.31Å; A133-R166 PolarHBondContact O-NH2 3.3Å; S136-R166 PolarHBondContact OG-NH1 3.31Å; S136-R166 PolarHBondContact OG-NH2 3.04Å; V159-R166 HydrophobicContact CG1-CB 4.29Å; A161-R166 PolarHBondContact O-NE 3.32Å; A161-R166 PolarHBondContact O-NH2 3.37Å
167V81.7Confident76.8Confident65 Ų6558.6 Ų58.639%0.39434%0.344SS..EExtended strand (participates in β ladder)trans-106.4122.8179.2-174.70000108.3L127 V128 Q129 S165L127-V167 HydrophobicContact CB-CG1 4.21Å; L127-V167 HydrophobicContact CD2-CG1 4.5Å; V128-V167 CarbonylContact O-C 3.41Å; V128-V167 VanDerWaalsContact O-CA 3.26Å; V128-V167 WeakPolarHBondContact O-CA 3.31Å; Q129-V167 HydrophobicContact CB-CG2 4.13Å; Q129-V167 HydrophobicContact CG-CG2 4.26Å; S165-V167 PolarHBondContact O-N 3.49Å
168V87.4Confident76.6Confident26 Ų2656.3 Ų56.316%0.15833%0.33CS..EExtended strand (participates in β ladder)trans-119.3143.1176.2-78.80000110.4L127 V128 V141 V157 V159L127-V168 CarbonylContact C-O 3.57Å; L127-V168 WeakPolarHBondContact CA-O 3.35Å; V128-V168 HydrophobicContact CB-CG2 4.14Å; V128-V168 PolarHBondContact N-O 3.43Å; V128-V168 PolarHBondContact O-N 2.64Å; V141-V168 HydrophobicContact CG2-CG2 3.65Å; V157-V168 HydrophobicContact CG1-CB 4.4Å; V157-V168 HydrophobicContact CG1-CG1 4.02Å; V159-V168 HydrophobicContact CG2-CB 4.37Å; V159-V168 HydrophobicContact CG2-CG1 3.78Å; V159-V168 HydrophobicContact CG2-CG2 3.64Å
169S89.4Confident76.5Confident69 Ų6952 Ų5248%0.48331%0.31SS..EExtended strand (participates in β ladder)trans-102.1120.5179-1710000109.5A125A125-S169 WeakPolarHBondContact CB-OG 3.47Å
170L89.6Confident76.6Confident9 Ų952 Ų525%0.04731%0.31CS..EExtended strand (participates in β ladder)trans-108.3105.3177-64.7175000109A125 I126 V128 V141 L143 V157 L179A125-L170 CarbonylContact C-O 3.55Å; A125-L170 VanDerWaalsContact CA-O 3.31Å; A125-L170 WeakPolarHBondContact CA-O 3.07Å; I126-L170 PolarHBondContact N-O 3.14Å; I126-L170 PolarHBondContact O-N 2.95Å; V128-L170 HydrophobicContact CG2-CD1 3.91Å; V141-L170 HydrophobicContact CB-CD1 4.37Å; V141-L170 HydrophobicContact CG2-CD1 4.15Å; L143-L170 HydrophobicContact CD1-CB 4.12Å; L143-L170 HydrophobicContact CD2-CB 4.09Å; L143-L170 HydrophobicContact CD2-CD1 4Å; L143-L170 HydrophobicContact CG-CB 4Å; L143-L170 HydrophobicContact CG-CD1 4.25Å; V157-L170 HydrophobicContact CB-CD2 4.24Å; V157-L170 HydrophobicContact CG2-CD2 3.62Å; L170-L179 HydrophobicContact CD1-CD1 3.67Å
171P89.7Confident76.9Confident101 Ų10149.6 Ų49.666%0.65630%0.295SS*.EExtended strand (participates in β ladder)trans-71.3145.5178.929.6-34000111.2K124 L143K124-P171 CarbonylContact O-C 3.57Å; K124-P171 WeakPolarHBondContact O-CA 3.44Å; L143-P171 VanDerWaalsContact CD1-O 3.28Å; L143-P171 WeakPolarHBondContact CD1-O 3.41Å
172Y86.6Confident77.9Confident18 Ų1850 Ų507%0.07129%0.291CS..  trans-126.9146.2176.463.6-100.8000111.7V119 K124 I126 Q174 E175 P177 F196V119-Y172 HydrophobicContact CG1-CE1 4.42Å; K124-Y172 HydrophobicContact CB-CD2 4.2Å; K124-Y172 HydrophobicContact CB-CE1 4.49Å; K124-Y172 HydrophobicContact CB-CE2 3.92Å; K124-Y172 HydrophobicContact CG-CE2 4.27Å; K124-Y172 VanDerWaalsContact O-CD1 3.3Å; K124-Y172 WeakPolarHBondContact O-CD1 3.31Å; K124-Y172 PolarHBondContact O-N 3.24Å; I126-Y172 HydrophobicContact CD1-CD1 4.44Å; I126-Y172 HydrophobicContact CG1-CD1 4.08Å; I126-Y172 HydrophobicContact CG1-CE1 4.25Å; Y172-Q174 VanDerWaalsContact CD2-O 3.31Å; Y172-Q174 WeakPolarHBondContact CD2-O 3.34Å; Y172-E175 HydrophobicContact CD2-CG 4.36Å; Y172-E175 HydrophobicContact CE2-CG 3.54Å; Y172-E175 PolarHBondContact OH-OE1 2.91Å; Y172-P177 HydrophobicContact CG-CG 4.44Å; Y172-F196 HydrophobicContact CD1-CZ 4.37Å; Y172-F196 AromaticContact CE1-CZ 3.87Å; Y172-F196 HydrophobicContact CE1-CZ 3.87Å; Y172-F196 HydrophobicContact CE2-CZ 4.41Å; Y172-F196 AromaticContact CZ-CZ 3.87Å
173S80.6Confident78.6Confident102 Ų10243.5 Ų43.571%0.71326%0.259SS*.SBendtrans-86.5-36.7176.752.60000112.6
174Q77.3Confident79.6Confident87 Ų8741.5 Ų41.541%0.40725%0.254SS..SBendtrans-132.3153.8-179.5-64.9177.514.700109.5Y172 L176 P177 V205Y172-Q174 VanDerWaalsContact CD2-O 3.31Å; Y172-Q174 WeakPolarHBondContact CD2-O 3.34Å; Q174-L176 PolarHBondContact O-N 3.18Å; Q174-P177 WeakPolarHBondContact O-CD 3.38Å; Q174-V205 HydrophobicContact CB-CG1 4.2Å; Q174-V205 HydrophobicContact CG-CG1 4.23Å
175E76.9Confident80.7Confident30 Ų3038.2 Ų38.214%0.1423%0.234CC..SBendtrans-80.142.8-180-65-172.2162.700112.4Y172 F196 A202Y172-E175 HydrophobicContact CD2-CG 4.36Å; Y172-E175 HydrophobicContact CE2-CG 3.54Å; Y172-E175 PolarHBondContact OH-OE1 2.91Å; E175-F196 HydrophobicContact CB-CD1 4.03Å; E175-F196 HydrophobicContact CB-CE1 4.11Å; E175-F196 HydrophobicContact CB-CG 4.23Å; E175-F196 HydrophobicContact CB-CZ 4.41Å; E175-F196 HydrophobicContact CG-CE1 4.17Å; E175-F196 HydrophobicContact CG-CZ 4.42Å; E175-F196 WeakPolarHBondContact O-CB 3.45Å; E175-F196 VanDerWaalsContact O-CG 3.31Å; E175-F196 WeakPolarHBondContact O-CG 2.75Å; E175-A202 HydrophobicContact CB-CB 3.95Å; E175-A202 WeakPolarHBondContact O-CB 3.39Å
176L74.1Confident81.3Confident15 Ų1540.2 Ų40.28%0.07925%0.245CC..  trans-123.27.3-178.9-61.9171.5000116.6H145 Q174 A202 V205 L206 C225H145-L176 PolarHBondContact ND1-O 3.48Å; Q174-L176 PolarHBondContact O-N 3.18Å; L176-A202 HydrophobicContact CD2-CB 4.37Å; L176-A202 WeakPolarHBondContact CD2-O 3.31Å; L176-V205 HydrophobicContact CD1-CB 4.46Å; L176-V205 HydrophobicContact CD1-CG1 4.09Å; L176-L206 HydrophobicContact CD1-CD2 3.48Å; L176-L206 VanDerWaalsContact CD1-CD2 3.48Å; L176-L206 HydrophobicContact CD1-CG 4.01Å; L176-L206 HydrophobicContact CD2-CD1 4.23Å; L176-L206 HydrophobicContact CD2-CD2 3.73Å; L176-L206 HydrophobicContact CD2-CG 3.72Å; L176-L206 HydrophobicContact CG-CD2 4.24Å; L176-C225 PolarHBondContact O-SG 3.15Å
177P76.4Confident81.3Confident6 Ų646.9 Ų46.94%0.03928%0.283CS..PPolyproline II helixtrans-86.2145177.133.9-35.6000112.2I126 L143 C144 Y172 Q174 F196I126-P177 HydrophobicContact CD1-CG 4.34Å; L143-P177 HydrophobicContact CB-CB 3.98Å; L143-P177 HydrophobicContact CD1-CB 4.23Å; L143-P177 HydrophobicContact CD1-CG 4.2Å; L143-P177 HydrophobicContact CD2-CB 4.22Å; L143-P177 HydrophobicContact CD2-CG 4.45Å; L143-P177 HydrophobicContact CG-CB 4.36Å; C144-P177 CarbonylContact O-C 3.52Å; C144-P177 WeakPolarHBondContact O-CA 3.44Å; Y172-P177 HydrophobicContact CG-CG 4.44Å; Q174-P177 WeakPolarHBondContact O-CD 3.38Å; P177-F196 HydrophobicContact CG-CD2 4.35Å; P177-F196 HydrophobicContact CG-CE2 3.96Å
178C84.4Confident80.7Confident4 Ų444.8 Ų44.83%0.02727%0.272CS..EExtended strand (participates in β ladder)trans-90.6150.5157.6-57.20000109.9L143 C144 Q192 I193 C194L143-C178 CarbonylContact C-O 3.6Å; L143-C178 WeakPolarHBondContact CA-O 3.46Å; C144-C178 PolarHBondContact N-O 3.3Å; C144-C178 PolarHBondContact O-N 2.83Å; C178-Q192 HydrophobicContact CB-CG 4.17Å; C178-I193 CarbonylContact C-O 3.2Å; C178-I193 VanDerWaalsContact CA-O 3.28Å; C178-I193 WeakPolarHBondContact CA-O 3.32Å; C178-I193 VanDerWaalsContact CB-O 3.32Å; C178-I193 WeakPolarHBondContact CB-O 3.3Å; C178-C194 HydrophobicContact CB-CB 4.03Å; C178-C194 WeakPolarHBondContact CB-SG 3.46Å; C178-C194 WeakPolarHBondContact SG-CB 3.4Å; C178-C194 CovalentContact SG-SG 2.04Å; C178-C194 PolarHBondContact SG-SG 2.69Å
179L84.1Confident80Confident1 Ų146.9 Ų46.91%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-85.7125.9168.4175.962.9000109.4L115 V128 V141 L170 Q192 I193L115-L179 HydrophobicContact CD1-CD2 4.38Å; V128-L179 HydrophobicContact CB-CD2 4.46Å; V128-L179 HydrophobicContact CG1-CD2 3.92Å; V128-L179 HydrophobicContact CG2-CD1 3.62Å; V128-L179 HydrophobicContact CG2-CD2 3.68Å; V128-L179 HydrophobicContact CG2-CG 4.3Å; V141-L179 HydrophobicContact CB-CD1 4.34Å; L170-L179 HydrophobicContact CD1-CD1 3.67Å; L179-Q192 CarbonylContact O-C 3.47Å; L179-Q192 WeakPolarHBondContact O-CA 3.36Å; L179-I193 HydrophobicContact CB-CB 4.46Å; L179-I193 PolarHBondContact N-O 3.05Å; L179-I193 PolarHBondContact O-N 3.05Å
180C86.3Confident79.4Confident4 Ų450.1 Ų50.13%0.02729%0.286CS..EExtended strand (participates in β ladder)trans-113138.3167.3-95.30000110.8V141 R142 C144 I191V141-C180 CarbonylContact C-O 3.51Å; V141-C180 VanDerWaalsContact CA-O 3.31Å; V141-C180 WeakPolarHBondContact CA-O 3.38Å; R142-C180 HydrophobicContact CG-CB 3.96Å; R142-C180 PolarHBondContact N-O 2.99Å; R142-C180 PolarHBondContact O-N 3.15Å; C144-C180 PolarHBondContact SG-SG 3.19Å; C180-I191 CarbonylContact C-O 3.59Å; C180-I191 WeakPolarHBondContact CA-O 3.04Å
181G83.9Confident78.8Confident0 Ų050.9 Ų50.90%029%0.29CS..EExtended strand (participates in β ladder)trans-147153.5173.500000113.7Y140 R190 I191Y140-G181 CarbonylContact O-C 3.55Å; Y140-G181 WeakPolarHBondContact O-CA 3.08Å; G181-R190 WeakPolarHBondContact O-CA 3.31Å; G181-I191 PolarHBondContact N-O 2.99Å; G181-I191 PolarHBondContact O-N 2.8Å
182W82.9Confident78.3Confident35 Ų3549.8 Ų49.813%0.13328%0.277CS..EExtended strand (participates in β ladder)trans-155.7154.8178.962.798.5000110.6Y139 Y140 R142 P156 A188 R190Y139-W182 WeakPolarHBondContact CD1-O 3.12Å; Y140-W182 VanDerWaalsContact CB-CZ2 3.49Å; Y140-W182 AromaticContact CD2-NE1 3.45Å; Y140-W182 AromaticContact CG-CE2 3.94Å; Y140-W182 HydrophobicContact CG-CZ2 4.03Å; Y140-W182 AromaticContact CG-NE1 3.8Å; Y140-W182 PolarHBondContact N-O 2.9Å; Y140-W182 PolarHBondContact O-N 2.86Å; R142-W182 HydrophobicContact CG-CH2 4.21Å; R142-W182 HydrophobicContact CG-CZ3 3.91Å; P156-W182 HydrophobicContact CB-CH2 3.97Å; P156-W182 HydrophobicContact CB-CZ2 4.27Å; W182-A188 HydrophobicContact CB-CB 4.12Å; W182-R190 HydrophobicContact CB-CG 4.19Å; W182-R190 HydrophobicContact CE3-CG 4.45Å; W182-R190 HydrophobicContact CG-CG 4.49Å
183S78.3Confident78.1Confident25 Ų2550.8 Ų50.818%0.17528%0.283CS..EExtended strand (participates in β ladder)trans-73.7154172.749.60000111.8D138 T185 A188D138-S183 CarbonylContact O-C 3.58Å; S183-T185 PolarHBondContact O-N 2.62Å; S183-T185 PolarHBondContact OG-OG1 3.2Å; S183-A188 WeakPolarHBondContact O-CB 3.18Å; S183-A188 VanDerWaalsContact OG-CB 3.24Å; S183-A188 WeakPolarHBondContact OG-CB 3.49Å
184A81.1Confident78.2Confident43 Ų4347 Ų4736%0.35526%0.256SS..SBendtrans-76.135.3173.700000112.4D138 Y140D138-A184 HydrophobicContact CB-CB 3.78Å; D138-A184 WeakPolarHBondContact O-CB 3.49Å; D138-A184 PolarHBondContact O-N 2.83Å; Y140-A184 HydrophobicContact CD2-CB 4.07Å; Y140-A184 HydrophobicContact CE2-CB 3.51Å
185T75.6Confident78.6Confident61 Ų6144 Ų4437%0.37424%0.244SC..SBendtrans-102.6148.1173.7510000108.9P137 S183 D187 A188P137-T185 HydrophobicContact CB-CG2 3.8Å; P137-T185 HydrophobicContact CG-CG2 3.69Å; S183-T185 PolarHBondContact O-N 2.62Å; S183-T185 PolarHBondContact OG-OG1 3.2Å; T185-D187 PolarHBondContact O-N 2.67Å; T185-A188 WeakPolarHBondContact O-CB 3.32Å; T185-A188 PolarHBondContact O-N 3.28Å
186P70.1Confident78.8Confident120 Ų12043.2 Ų43.278%0.77924%0.24SC*.THydrogen-bonded Turntrans-51.9137.9169.1-2333.4000110.2A188P186-A188 PolarHBondContact O-N 3.38Å; P186-A188 VanDerWaalsContact O-N 3.11Å
187D70.4Confident78.9Confident164 Ų16447.8 Ų47.888%0.87726%0.261SS*.THydrogen-bonded Turntrans56.127177.8-52.2-43.9000115.5T185 V189T185-D187 PolarHBondContact O-N 2.67Å; D187-V189 PolarHBondContact O-N 3.31Å
188A69.4Low78.6Confident20 Ų2053.7 Ų53.717%0.16529%0.292CS..PPolyproline II helixtrans-57.5129.2174.900000112W182 S183 T185 P186 R190W182-A188 HydrophobicContact CB-CB 4.12Å; S183-A188 WeakPolarHBondContact O-CB 3.18Å; S183-A188 VanDerWaalsContact OG-CB 3.24Å; S183-A188 WeakPolarHBondContact OG-CB 3.49Å; T185-A188 WeakPolarHBondContact O-CB 3.32Å; T185-A188 PolarHBondContact O-N 3.28Å; P186-A188 PolarHBondContact O-N 3.38Å; P186-A188 VanDerWaalsContact O-N 3.11Å; A188-R190 PolarHBondContact O-N 3.35Å
189V72.3Confident78.1Confident71 Ų7154.8 Ų54.843%0.4330%0.298SS..PPolyproline II helixtrans-67.1134.6175.7-171.20000110.3A86 D187A86-V189 HydrophobicContact CB-CB 3.83Å; A86-V189 HydrophobicContact CB-CG1 3.29Å; A86-V189 HydrophobicContact CB-CG2 4.15Å; D187-V189 PolarHBondContact O-N 3.31Å
190R77.4Confident77.6Confident136 Ų13658.8 Ų58.851%0.51332%0.322SS..PPolyproline II helixtrans-84.9122.2178.2-63.9176.8-178.7-107.14.1109.7G181 W182 A188G181-R190 WeakPolarHBondContact O-CA 3.31Å; W182-R190 HydrophobicContact CB-CG 4.19Å; W182-R190 HydrophobicContact CE3-CG 4.45Å; W182-R190 HydrophobicContact CG-CG 4.49Å; A188-R190 PolarHBondContact O-N 3.35Å
191I77Confident77.1Confident25 Ų2563.3 Ų63.313%0.12834%0.343CS..EExtended strand (participates in β ladder)trans-86133.2169.4-53.6177.5000107.5A112 G113 Y139 C180 G181 I193A112-I191 HydrophobicContact CB-CD1 3.57Å; A112-I191 HydrophobicContact CB-CG1 3.72Å; A112-I191 VanDerWaalsContact O-CD1 3.25Å; A112-I191 WeakPolarHBondContact O-CD1 3.08Å; G113-I191 WeakPolarHBondContact O-CD1 3.34Å; Y139-I191 WeakPolarHBondContact OH-CD1 3.06Å; C180-I191 CarbonylContact C-O 3.59Å; C180-I191 WeakPolarHBondContact CA-O 3.04Å; G181-I191 PolarHBondContact N-O 2.99Å; G181-I191 PolarHBondContact O-N 2.8Å; I191-I193 HydrophobicContact CG2-CD1 4.11Å; I191-I193 HydrophobicContact CG2-CG1 4.02Å
192Q79.6Confident76.6Confident79 Ų7963.4 Ų63.437%0.36934%0.344SS..EExtended strand (participates in β ladder)trans-123.9125.9172.2-175.9-178.5-11.800109.6C150 C178 L179C150-Q192 PolarHBondContact SG-NE2 2.89Å; C178-Q192 HydrophobicContact CB-CG 4.17Å; L179-Q192 CarbonylContact O-C 3.47Å; L179-Q192 WeakPolarHBondContact O-CA 3.36Å
193I82.3Confident76.1Confident39 Ų3962.9 Ų62.920%0.234%0.343CS..EExtended strand (participates in β ladder)trans-128.4134.3178.5-60.1169.2000107.1L115 Y117 C178 L179 I191 P195L115-I193 HydrophobicContact CB-CD1 4.26Å; Y117-I193 HydrophobicContact CD1-CG2 4.12Å; Y117-I193 HydrophobicContact CE1-CG2 3.56Å; C178-I193 CarbonylContact C-O 3.2Å; C178-I193 VanDerWaalsContact CA-O 3.28Å; C178-I193 WeakPolarHBondContact CA-O 3.32Å; C178-I193 VanDerWaalsContact CB-O 3.32Å; C178-I193 WeakPolarHBondContact CB-O 3.3Å; L179-I193 HydrophobicContact CB-CB 4.46Å; L179-I193 PolarHBondContact N-O 3.05Å; L179-I193 PolarHBondContact O-N 3.05Å; I191-I193 HydrophobicContact CG2-CD1 4.11Å; I191-I193 HydrophobicContact CG2-CG1 4.02Å; I193-P195 WeakPolarHBondContact O-CD 3.44Å
194C83.3Confident75.9Confident23 Ų2367.4 Ų67.416%0.15536%0.362CS..  trans-114.693.2-179.6-62.80000110.3C178 F196 E197C178-C194 HydrophobicContact CB-CB 4.03Å; C178-C194 WeakPolarHBondContact CB-SG 3.46Å; C178-C194 WeakPolarHBondContact SG-CB 3.4Å; C178-C194 CovalentContact SG-SG 2.04Å; C178-C194 PolarHBondContact SG-SG 2.69Å; C194-F196 PolarHBondContact O-N 2.8Å; C194-F196 VanDerWaalsContact O-N 3.15Å; C194-E197 HydrophobicContact CB-CB 3.96Å; C194-E197 PolarHBondContact O-N 3.5Å
195P83.8Confident75.6Confident24 Ų2467.1 Ų67.116%0.15636%0.355CS..THydrogen-bonded Turntrans-58.8-29.7-173.7-28.237.3000114.7Y117 V119 I126 I193Y117-P195 HydrophobicContact CD2-CB 4.29Å; Y117-P195 HydrophobicContact CD2-CG 4.06Å; Y117-P195 HydrophobicContact CE2-CB 3.69Å; Y117-P195 HydrophobicContact CE2-CG 3.81Å; V119-P195 HydrophobicContact CG2-CB 3.94Å; I126-P195 HydrophobicContact CD1-CG 4.04Å; I193-P195 WeakPolarHBondContact O-CD 3.44Å
196F82.3Confident75.5Confident13 Ų1364.4 Ų64.46%0.05734%0.339CS..THydrogen-bonded Turntrans-103.69.1-172.8-52.8-70.4000113.8V119 I126 Y172 E175 P177 C194 N198 D199 A202V119-F196 HydrophobicContact CG1-CE1 3.7Å; V119-F196 HydrophobicContact CG1-CZ 3.77Å; V119-F196 HydrophobicContact CG2-CE1 4.44Å; V119-F196 HydrophobicContact CG2-CZ 4.45Å; I126-F196 HydrophobicContact CD1-CE2 3.94Å; I126-F196 HydrophobicContact CD1-CZ 4.39Å; I126-F196 HydrophobicContact CG1-CZ 4.49Å; Y172-F196 HydrophobicContact CD1-CZ 4.37Å; Y172-F196 AromaticContact CE1-CZ 3.87Å; Y172-F196 HydrophobicContact CE1-CZ 3.87Å; Y172-F196 HydrophobicContact CE2-CZ 4.41Å; Y172-F196 AromaticContact CZ-CZ 3.87Å; E175-F196 HydrophobicContact CB-CD1 4.03Å; E175-F196 HydrophobicContact CB-CE1 4.11Å; E175-F196 HydrophobicContact CB-CG 4.23Å; E175-F196 HydrophobicContact CB-CZ 4.41Å; E175-F196 HydrophobicContact CG-CE1 4.17Å; E175-F196 HydrophobicContact CG-CZ 4.42Å; E175-F196 WeakPolarHBondContact O-CB 3.45Å; E175-F196 VanDerWaalsContact O-CG 3.31Å; E175-F196 WeakPolarHBondContact O-CG 2.75Å; P177-F196 HydrophobicContact CG-CD2 4.35Å; P177-F196 HydrophobicContact CG-CE2 3.96Å; C194-F196 PolarHBondContact O-N 2.8Å; C194-F196 VanDerWaalsContact O-N 3.15Å; F196-N198 PolarHBondContact O-N 3.37Å; F196-D199 HydrophobicContact CB-CB 4.3Å; F196-D199 PolarHBondContact O-N 3.31Å; F196-D199 VanDerWaalsContact O-N 3.13Å; F196-A202 HydrophobicContact CB-CB 3.8Å
197E75.6Confident75.7Confident110 Ų11059.3 Ų59.351%0.51430%0.304SS..THydrogen-bonded Turntrans-59.3-34.5-172.3180161.3-167.100113.5K146 C194K146-E197 IonicContact NZ-OE1 3.61Å; K146-E197 PolarHBondContact NZ-OE1 2.81Å; K146-E197 IonicContact NZ-OE2 2.69Å; K146-E197 PolarHBondContact NZ-OE2 3.43Å; C194-E197 HydrophobicContact CB-CB 3.96Å; C194-E197 PolarHBondContact O-N 3.5Å
198N71.1Confident75.8Confident130 Ų13056.9 Ų56.970%0.69529%0.291SS*.THydrogen-bonded Turntrans-10914.3179.7-66.4-20.3000113F196F196-N198 PolarHBondContact O-N 3.37Å
199D74.1Confident76.1Confident28 Ų2858.2 Ų58.215%0.1530%0.297CS..  trans-88.1122-175.8-165.4-34.9000110.6R121 F196 E201 A202 L203R121-D199 IonicContact CZ-OD2 2.62Å; R121-D199 IonicContact NH2-OD1 3.83Å; R121-D199 IonicContact NH2-OD2 3.64Å; R121-D199 PolarHBondContact NH2-OD2 3.3Å; F196-D199 HydrophobicContact CB-CB 4.3Å; F196-D199 PolarHBondContact O-N 3.31Å; F196-D199 VanDerWaalsContact O-N 3.13Å; D199-E201 VanDerWaalsContact C-N 3.33Å; D199-E201 PolarHBondContact O-N 2.95Å; D199-E201 PolarHBondContact OD1-N 3.47Å; D199-A202 HydrophobicContact CB-CB 3.85Å; D199-A202 PolarHBondContact O-N 3.03Å; D199-L203 WeakPolarHBondContact O-CD1 3.49Å; D199-L203 WeakPolarHBondContact O-CG 3.45Å; D199-L203 PolarHBondContact O-N 3.06Å; D199-L203 VanDerWaalsContact O-N 3.07Å
200T73.9Confident76.8Confident84 Ų8455.7 Ų55.752%0.51528%0.282SS..Hα-helixtrans-68.6-32-177.850.20000112.7L203 E204T200-L203 PolarHBondContact O-N 3.28Å; T200-E204 PolarHBondContact O-N 2.75Å
201E74.9Confident77.2Confident100 Ų10054.7 Ų54.747%0.46728%0.279SS..Hα-helixtrans-71.4-41.5178.2-68.8174.1-139.400110.4R121 D199 L203 E204 V205R121-E201 IonicContact CZ-OE2 3.7Å; R121-E201 IonicContact NH1-OE1 2.95Å; R121-E201 PolarHBondContact NH1-OE1 3.18Å; R121-E201 IonicContact NH1-OE2 2.75Å; R121-E201 PolarHBondContact NH1-OE2 3.42Å; D199-E201 VanDerWaalsContact C-N 3.33Å; D199-E201 PolarHBondContact O-N 2.95Å; D199-E201 PolarHBondContact OD1-N 3.47Å; E201-L203 VanDerWaalsContact C-N 3.31Å; E201-L203 PolarHBondContact O-N 3.08Å; E201-E204 WeakPolarHBondContact O-CB 3.43Å; E201-E204 PolarHBondContact O-N 3.41Å; E201-E204 VanDerWaalsContact O-N 3.08Å; E201-V205 PolarHBondContact O-N 3.32Å
202A73.3Confident77.8Confident1 Ų154.3 Ų54.31%0.00828%0.276CS..Hα-helixtrans-59.3-41.9171.900000112.4E175 L176 F196 D199 E204 V205E175-A202 HydrophobicContact CB-CB 3.95Å; E175-A202 WeakPolarHBondContact O-CB 3.39Å; L176-A202 HydrophobicContact CD2-CB 4.37Å; L176-A202 WeakPolarHBondContact CD2-O 3.31Å; F196-A202 HydrophobicContact CB-CB 3.8Å; D199-A202 HydrophobicContact CB-CB 3.85Å; D199-A202 PolarHBondContact O-N 3.03Å; A202-E204 PolarHBondContact O-N 3.07Å; A202-V205 WeakPolarHBondContact O-CB 3.5Å; A202-V205 PolarHBondContact O-N 3.13Å
203L71.8Confident78.2Confident24 Ų2454.2 Ų54.213%0.12628%0.275CS..Hα-helixtrans-62-30.1175.5-81156.8000112.4D199 T200 E201 L206 W207 W279D199-L203 WeakPolarHBondContact O-CD1 3.49Å; D199-L203 WeakPolarHBondContact O-CG 3.45Å; D199-L203 PolarHBondContact O-N 3.06Å; D199-L203 VanDerWaalsContact O-N 3.07Å; T200-L203 PolarHBondContact O-N 3.28Å; E201-L203 VanDerWaalsContact C-N 3.31Å; E201-L203 PolarHBondContact O-N 3.08Å; L203-L206 HydrophobicContact CD2-CD1 4.07Å; L203-L206 WeakPolarHBondContact O-CB 3.46Å; L203-W207 PolarHBondContact O-NE1 3.49Å; L203-W279 HydrophobicContact CB-CH2 4.45Å; L203-W279 HydrophobicContact CB-CZ2 3.93Å; L203-W279 HydrophobicContact CD1-CH2 3.89Å; L203-W279 HydrophobicContact CD1-CZ2 3.91Å; L203-W279 HydrophobicContact CG-CZ2 4.45Å
204E74.2Confident78.3Confident120 Ų12055.9 Ų55.956%0.56129%0.289SS*.Hα-helixtrans-67.8-39.4173.7-72.9-167.9167.100112.3T200 E201 A202 L206 W207T200-E204 PolarHBondContact O-N 2.75Å; E201-E204 WeakPolarHBondContact O-CB 3.43Å; E201-E204 PolarHBondContact O-N 3.41Å; E201-E204 VanDerWaalsContact O-N 3.08Å; A202-E204 PolarHBondContact O-N 3.07Å; E204-L206 PolarHBondContact O-N 3.18Å; E204-W207 VanDerWaalsContact O-CB 3.31Å; E204-W207 WeakPolarHBondContact O-CB 3.46Å; E204-W207 PolarHBondContact O-N 3.13Å
205V74.9Confident78.4Confident37 Ų3767 Ų6722%0.22433%0.328CS..Hα-helixtrans-60.2-29.6178.2179.70000112.1Q174 L176 E201 A202 W207 D208Q174-V205 HydrophobicContact CB-CG1 4.2Å; Q174-V205 HydrophobicContact CG-CG1 4.23Å; L176-V205 HydrophobicContact CD1-CB 4.46Å; L176-V205 HydrophobicContact CD1-CG1 4.09Å; E201-V205 PolarHBondContact O-N 3.32Å; A202-V205 WeakPolarHBondContact O-CB 3.5Å; A202-V205 PolarHBondContact O-N 3.13Å; V205-W207 PolarHBondContact O-N 2.94Å; V205-W207 VanDerWaalsContact O-N 3.13Å; V205-D208 PolarHBondContact O-N 3.19Å
206L74.6Confident78.6Confident5 Ų568.8 Ų68.83%0.02634%0.341CS..G310 helixtrans-61.7-19.8174.4-68.2169.9000113.6L176 L203 E204 T209 W221 P223 V227L176-L206 HydrophobicContact CD1-CD2 3.48Å; L176-L206 VanDerWaalsContact CD1-CD2 3.48Å; L176-L206 HydrophobicContact CD1-CG 4.01Å; L176-L206 HydrophobicContact CD2-CD1 4.23Å; L176-L206 HydrophobicContact CD2-CD2 3.73Å; L176-L206 HydrophobicContact CD2-CG 3.72Å; L176-L206 HydrophobicContact CG-CD2 4.24Å; L203-L206 HydrophobicContact CD2-CD1 4.07Å; L203-L206 WeakPolarHBondContact O-CB 3.46Å; E204-L206 PolarHBondContact O-N 3.18Å; L206-T209 PolarHBondContact O-OG1 3.33Å; L206-W221 PolarHBondContact O-NE1 2.92Å; L206-P223 HydrophobicContact CD2-CB 4.01Å; L206-V227 HydrophobicContact CD1-CG1 3.66Å
207W73.6Confident78.9Confident13 Ų1372.3 Ų72.35%0.04936%0.357CS..G310 helixtrans-81.9-14.4-179.8-67.586.1000113.5L203 E204 V205 T209 V210 W221 V231 L270 F272 W279 R281L203-W207 PolarHBondContact O-NE1 3.49Å; E204-W207 VanDerWaalsContact O-CB 3.31Å; E204-W207 WeakPolarHBondContact O-CB 3.46Å; E204-W207 PolarHBondContact O-N 3.13Å; V205-W207 PolarHBondContact O-N 2.94Å; V205-W207 VanDerWaalsContact O-N 3.13Å; W207-T209 PolarHBondContact O-N 3.18Å; W207-V210 HydrophobicContact CE3-CG2 3.86Å; W207-V210 HydrophobicContact CZ3-CG2 4.09Å; W207-V210 WeakPolarHBondContact O-CG2 3.31Å; W207-V210 PolarHBondContact O-N 3.26Å; W207-W221 HydrophobicContact CH2-CD2 4.28Å; W207-W221 HydrophobicContact CH2-CE3 4.41Å; W207-W221 AromaticContact CH2-CH2 3.98Å; W207-W221 HydrophobicContact CH2-CH2 3.98Å; W207-W221 AromaticContact CH2-CZ2 3.84Å; W207-W221 HydrophobicContact CH2-CZ2 3.84Å; W207-W221 HydrophobicContact CH2-CZ3 4.28Å; W207-W221 AromaticContact CZ2-CH2 3.94Å; W207-W221 HydrophobicContact CZ2-CH2 3.94Å; W207-W221 AromaticContact CZ2-CZ2 3.72Å; W207-W221 HydrophobicContact CZ2-CZ2 3.72Å; W207-V231 HydrophobicContact CH2-CG2 4.5Å; W207-L270 HydrophobicContact CZ3-CB 4.43Å; W207-L270 HydrophobicContact CZ3-CD2 3.8Å; W207-L270 HydrophobicContact CZ3-CG 4.19Å; W207-F272 HydrophobicContact CH2-CB 3.06Å; W207-F272 HydrophobicContact CH2-CD1 4.33Å; W207-F272 AromaticContact CH2-CG 3.85Å; W207-F272 HydrophobicContact CH2-CG 3.85Å; W207-F272 HydrophobicContact CZ2-CB 2.98Å; W207-F272 AromaticContact CZ2-CD1 3.43Å; W207-F272 HydrophobicContact CZ2-CD1 3.43Å; W207-F272 VanDerWaalsContact CZ2-CD1 3.43Å; W207-F272 HydrophobicContact CZ2-CD2 4.38Å; W207-F272 HydrophobicContact CZ2-CE1 4.4Å; W207-F272 AromaticContact CZ2-CG 3.41Å; W207-F272 HydrophobicContact CZ2-CG 3.41Å; W207-F272 VanDerWaalsContact CZ2-CG 3.41Å; W207-F272 HydrophobicContact CZ3-CB 4.12Å; W207-W279 HydrophobicContact CD2-CB 4.23Å; W207-W279 HydrophobicContact CG-CB 4.46Å; W207-W279 AromaticContact NE1-CG 3.79Å; W207-R281 HydrophobicContact CE3-CB 3.87Å
208D72.1Confident79.6Confident112 Ų11268 Ų6860%0.59934%0.338SS*.G310 helixtrans-69.7-13.2177.1-72.1-23.2000112.4V205V205-D208 PolarHBondContact O-N 3.19Å
209T76.6Confident80.6Confident48 Ų4861.9 Ų61.929%0.29431%0.306SS..G310 helixtrans-91.25.3177.571.10000114.2L206 W207 Y211 W221 E222L206-T209 PolarHBondContact O-OG1 3.33Å; W207-T209 PolarHBondContact O-N 3.18Å; T209-Y211 PolarHBondContact O-N 3.34Å; T209-W221 PolarHBondContact OG1-NE1 3.29Å; T209-E222 PolarHBondContact OG1-O 3.3Å
210V86.4Confident81.3Confident19 Ų1961.1 Ų61.112%0.11530%0.302CS..EExtended strand (participates in β ladder)trans-71.1115.1173.1179.30000109.3W207 L219 W221 L270 R281W207-V210 HydrophobicContact CE3-CG2 3.86Å; W207-V210 HydrophobicContact CZ3-CG2 4.09Å; W207-V210 WeakPolarHBondContact O-CG2 3.31Å; W207-V210 PolarHBondContact O-N 3.26Å; V210-L219 HydrophobicContact CG1-CD1 3.89Å; V210-W221 HydrophobicContact CG2-CB 4.15Å; V210-W221 VanDerWaalsContact CG2-CD1 3.41Å; V210-W221 HydrophobicContact CG2-CG 3.86Å; V210-L270 HydrophobicContact CG1-CD2 4Å; V210-L270 HydrophobicContact CG2-CD2 3.81Å; V210-R281 HydrophobicContact CB-CG 4.46Å
211Y86.9Confident82.1Confident115 Ų11557.2 Ų57.245%0.45128%0.278SS..EExtended strand (participates in β ladder)trans-128.5133.8-173.9-170.2-96.5000112.7T209 H213 S220T209-Y211 PolarHBondContact O-N 3.34Å; Y211-H213 AromaticContact CD1-CD2 3.9Å; Y211-H213 AromaticContact CD1-CE1 3.46Å; Y211-H213 VanDerWaalsContact CD1-CE1 3.46Å; Y211-H213 WeakPolarHBondContact CD1-CE1 3.5Å; Y211-H213 AromaticContact CD1-CG 3.89Å; Y211-H213 AromaticContact CD1-ND1 3.62Å; Y211-H213 AromaticContact CD1-NE2 3.64Å; Y211-H213 AromaticContact CE1-CE1 3.68Å; Y211-H213 AromaticContact CE1-CG 3.94Å; Y211-H213 AromaticContact CE1-ND1 3.45Å; Y211-H213 WeakPolarHBondContact CE1-ND1 3.45Å; Y211-S220 PolarHBondContact N-O 2.9Å; Y211-S220 PolarHBondContact O-N 2.89Å; Y211-S220 PolarHBondContact O-OG 2.9Å; Y211-S220 VanDerWaalsContact O-OG 3.13Å
212Y88.1Confident82.7Confident17 Ų1756.4 Ų56.47%0.06728%0.275CS..EExtended strand (participates in β ladder)trans-98.3122.4172.3-179.5-105.3000110.6P214 Q217 L219 V262 T264 F284 F289Y212-P214 HydrophobicContact CD1-CG 4.2Å; Y212-P214 HydrophobicContact CE1-CB 4.25Å; Y212-P214 HydrophobicContact CE1-CG 4.36Å; Y212-P214 VanDerWaalsContact O-CD 3.3Å; Y212-P214 WeakPolarHBondContact O-CD 3.38Å; Y212-Q217 WeakPolarHBondContact OH-CA 3.36Å; Y212-L219 HydrophobicContact CD2-CB 4.33Å; Y212-V262 HydrophobicContact CE2-CB 4.28Å; Y212-V262 VanDerWaalsContact CE2-O 3.32Å; Y212-V262 WeakPolarHBondContact CE2-O 3.33Å; Y212-V262 PolarHBondContact OH-O 3.23Å; Y212-T264 HydrophobicContact CD1-CG2 4.23Å; Y212-T264 HydrophobicContact CE1-CG2 3.46Å; Y212-T264 VanDerWaalsContact CE1-CG2 3.46Å; Y212-T264 HydrophobicContact CE2-CG2 4.39Å; Y212-T264 WeakPolarHBondContact OH-CG2 3.34Å; Y212-F284 AromaticContact CD1-CE1 3.96Å; Y212-F284 HydrophobicContact CD1-CE1 3.96Å; Y212-F284 AromaticContact CD2-CE1 3.77Å; Y212-F284 HydrophobicContact CD2-CE1 3.77Å; Y212-F284 AromaticContact CD2-CZ 3.62Å; Y212-F284 HydrophobicContact CD2-CZ 3.62Å; Y212-F284 HydrophobicContact CE1-CE1 4.38Å; Y212-F284 HydrophobicContact CE2-CE1 4.2Å; Y212-F284 HydrophobicContact CE2-CZ 4.01Å; Y212-F284 AromaticContact CG-CE1 3.62Å; Y212-F284 HydrophobicContact CG-CE1 3.62Å; Y212-F284 AromaticContact CG-CZ 3.95Å; Y212-F284 HydrophobicContact CG-CZ 3.95Å; Y212-F289 HydrophobicContact CD1-CZ 4.47Å
213H88.5Confident83Confident76 Ų7656.7 Ų56.735%0.35228%0.276SS..EExtended strand (participates in β ladder)trans-91.3106.9175-63.8-82.2000110.2Y211 R215 S216 Q217 T218 S220Y211-H213 AromaticContact CD1-CD2 3.9Å; Y211-H213 AromaticContact CD1-CE1 3.46Å; Y211-H213 VanDerWaalsContact CD1-CE1 3.46Å; Y211-H213 WeakPolarHBondContact CD1-CE1 3.5Å; Y211-H213 AromaticContact CD1-CG 3.89Å; Y211-H213 AromaticContact CD1-ND1 3.62Å; Y211-H213 AromaticContact CD1-NE2 3.64Å; Y211-H213 AromaticContact CE1-CE1 3.68Å; Y211-H213 AromaticContact CE1-CG 3.94Å; Y211-H213 AromaticContact CE1-ND1 3.45Å; Y211-H213 WeakPolarHBondContact CE1-ND1 3.45Å; H213-R215 PolarHBondContact O-N 3.16Å; H213-S216 WeakPolarHBondContact CB-OG 3.47Å; H213-S216 PolarHBondContact O-N 3.03Å; H213-Q217 WeakPolarHBondContact O-CA 3.46Å; H213-Q217 PolarHBondContact O-N 3.22Å; H213-T218 PolarHBondContact N-O 3.37Å; H213-T218 PolarHBondContact O-N 2.92Å; H213-S220 PolarHBondContact CD2-OG 3.43Å; H213-S220 PolarHBondContact NE2-OG 3.15Å; H213-S220 VanDerWaalsContact NE2-OG 3.08Å
214P85.1Confident83.3Confident75 Ų7557.3 Ų57.349%0.48728%0.281SS..THydrogen-bonded Turntrans-67-34.7-173.4-21.734.6000113.8Y212 Q217Y212-P214 HydrophobicContact CD1-CG 4.2Å; Y212-P214 HydrophobicContact CE1-CB 4.25Å; Y212-P214 HydrophobicContact CE1-CG 4.36Å; Y212-P214 VanDerWaalsContact O-CD 3.3Å; Y212-P214 WeakPolarHBondContact O-CD 3.38Å; P214-Q217 PolarHBondContact O-N 2.93Å
215R85.1Confident83.3Confident256 Ų25652.3 Ų52.397%0.96626%0.259SS*.THydrogen-bonded Turntrans-65.8-40.2-177.9-64-171.8-155.1-135.34.4112.8H213H213-R215 PolarHBondContact O-N 3.16Å
216S87.6Confident83.3Confident61 Ų6153.9 Ų53.943%0.42727%0.27SS..THydrogen-bonded Turntrans-99.12.8-179.164.30000112.9H213 T218H213-S216 WeakPolarHBondContact CB-OG 3.47Å; H213-S216 PolarHBondContact O-N 3.03Å; S216-T218 WeakPolarHBondContact CB-OG1 3.41Å; S216-T218 PolarHBondContact O-N 3.08Å; S216-T218 PolarHBondContact O-OG1 3.37Å; S216-T218 WeakPolarHBondContact OG-CB 3.4Å; S216-T218 PolarHBondContact OG-OG1 3.31Å
217Q88.9Confident83.3Confident88 Ų8854.8 Ų54.841%0.41128%0.276SS..THydrogen-bonded Turntrans47.537.3-174.1-57.8175.413.900112.5Y212 H213 P214 L261 V262Y212-Q217 WeakPolarHBondContact OH-CA 3.36Å; H213-Q217 WeakPolarHBondContact O-CA 3.46Å; H213-Q217 PolarHBondContact O-N 3.22Å; P214-Q217 PolarHBondContact O-N 2.93Å; Q217-L261 WeakPolarHBondContact O-CA 3.35Å; Q217-L261 PolarHBondContact O-N 3.13Å; Q217-V262 PolarHBondContact O-N 3.48Å
218T90.4Very high83.5Confident18 Ų1859.5 Ų59.511%0.1131%0.311CS..EExtended strand (participates in β ladder)trans-108.8123.3-171.8-51.70000109.9H213 S216 Q258 Y259H213-T218 PolarHBondContact N-O 3.37Å; H213-T218 PolarHBondContact O-N 2.92Å; S216-T218 WeakPolarHBondContact CB-OG1 3.41Å; S216-T218 PolarHBondContact O-N 3.08Å; S216-T218 PolarHBondContact O-OG1 3.37Å; S216-T218 WeakPolarHBondContact OG-CB 3.4Å; S216-T218 PolarHBondContact OG-OG1 3.31Å; T218-Q258 HydrophobicContact CG2-CB 4.12Å; T218-Q258 HydrophobicContact CG2-CG 4.39Å; T218-Y259 WeakPolarHBondContact CA-O 3.42Å
219L90.9Very high84.1Confident2 Ų254.7 Ų54.71%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-86.3122.4166.3-176.264.3000108.6V210 Y212 L233 Q258 Y259 V262 L270 P283V210-L219 HydrophobicContact CG1-CD1 3.89Å; Y212-L219 HydrophobicContact CD2-CB 4.33Å; L219-L233 HydrophobicContact CD2-CD2 3.94Å; L219-Q258 CarbonylContact O-C 3.56Å; L219-Q258 WeakPolarHBondContact O-CA 3.3Å; L219-Y259 PolarHBondContact N-O 2.99Å; L219-Y259 PolarHBondContact O-N 3.36Å; L219-V262 HydrophobicContact CB-CB 4.3Å; L219-V262 HydrophobicContact CB-CG1 4.34Å; L219-V262 HydrophobicContact CB-CG2 4.11Å; L219-L270 HydrophobicContact CD2-CD1 4.08Å; L219-P283 HydrophobicContact CD1-CG 3.87Å
220S90.3Very high84.7Confident12 Ų1256.5 Ų56.58%0.08429%0.292CS..EExtended strand (participates in β ladder)trans-126.1148.1-177.570.50000111.3Y211 H213 V257Y211-S220 PolarHBondContact N-O 2.9Å; Y211-S220 PolarHBondContact O-N 2.89Å; Y211-S220 PolarHBondContact O-OG 2.9Å; Y211-S220 VanDerWaalsContact O-OG 3.13Å; H213-S220 PolarHBondContact CD2-OG 3.43Å; H213-S220 PolarHBondContact NE2-OG 3.15Å; H213-S220 VanDerWaalsContact NE2-OG 3.08Å; S220-V257 WeakPolarHBondContact CA-O 3.32Å
221W89.8Confident84.9Confident2 Ų255.6 Ų55.61%0.00829%0.287CS..EExtended strand (participates in β ladder)trans-141.1127.9170.4176.958.5000109.5L206 W207 T209 V210 P223 V227 V231 V253 R256 V257 L270 F272L206-W221 PolarHBondContact O-NE1 2.92Å; W207-W221 HydrophobicContact CH2-CD2 4.28Å; W207-W221 HydrophobicContact CH2-CE3 4.41Å; W207-W221 AromaticContact CH2-CH2 3.98Å; W207-W221 HydrophobicContact CH2-CH2 3.98Å; W207-W221 AromaticContact CH2-CZ2 3.84Å; W207-W221 HydrophobicContact CH2-CZ2 3.84Å; W207-W221 HydrophobicContact CH2-CZ3 4.28Å; W207-W221 AromaticContact CZ2-CH2 3.94Å; W207-W221 HydrophobicContact CZ2-CH2 3.94Å; W207-W221 AromaticContact CZ2-CZ2 3.72Å; W207-W221 HydrophobicContact CZ2-CZ2 3.72Å; T209-W221 PolarHBondContact OG1-NE1 3.29Å; V210-W221 HydrophobicContact CG2-CB 4.15Å; V210-W221 VanDerWaalsContact CG2-CD1 3.41Å; V210-W221 HydrophobicContact CG2-CG 3.86Å; W221-P223 HydrophobicContact CH2-CB 4.28Å; W221-P223 HydrophobicContact CH2-CG 4.05Å; W221-P223 HydrophobicContact CZ2-CB 3.8Å; W221-P223 HydrophobicContact CZ2-CG 4.02Å; W221-P223 HydrophobicContact CZ3-CG 4.36Å; W221-V227 HydrophobicContact CH2-CG2 3.79Å; W221-V227 HydrophobicContact CZ2-CG2 4.49Å; W221-V231 HydrophobicContact CE3-CG2 3.7Å; W221-V231 HydrophobicContact CH2-CG2 4.36Å; W221-V231 HydrophobicContact CZ3-CG2 3.41Å; W221-V231 VanDerWaalsContact CZ3-CG2 3.41Å; W221-V253 HydrophobicContact CH2-CG1 4.21Å; W221-V253 HydrophobicContact CH2-CG2 4.47Å; W221-V253 HydrophobicContact CZ3-CB 4.38Å; W221-V253 HydrophobicContact CZ3-CG1 3.68Å; W221-V253 HydrophobicContact CZ3-CG2 3.72Å; W221-R256 WeakPolarHBondContact O-CA 3.46Å; W221-V257 HydrophobicContact CE3-CG2 4.31Å; W221-V257 PolarHBondContact N-O 3.32Å; W221-V257 PolarHBondContact O-N 3.14Å; W221-L270 HydrophobicContact CB-CD2 3.91Å; W221-L270 HydrophobicContact CG-CD2 4.28Å; W221-F272 HydrophobicContact CH2-CD2 4.34Å; W221-F272 HydrophobicContact CH2-CE2 4.35Å
222E87.2Confident85.2Confident84 Ų8450.1 Ų50.139%0.39327%0.266SS..  trans-132.5101.5177.7-174.1163.1-165.900107.9T209 R256T209-E222 PolarHBondContact OG1-O 3.3Å; E222-R256 HydrophobicContact CB-CG 4.28Å; E222-R256 HydrophobicContact CG-CB 4.48Å; E222-R256 IonicContact OE1-NE 3.19Å; E222-R256 IonicContact OE1-NH2 2.84Å; E222-R256 PolarHBondContact OE1-NH2 2.94Å; E222-R256 IonicContact OE2-CZ 2.8Å; E222-R256 IonicContact OE2-NE 3.83Å; E222-R256 PolarHBondContact OE2-NE 2.85Å; E222-R256 IonicContact OE2-NH2 3.43Å; E222-R256 PolarHBondContact OE2-NH2 2.86Å
223P80.4Confident85.4Confident7 Ų750.2 Ų50.25%0.04527%0.267CS..  trans-70.4141.4175.429-35.1000110.6L206 W221 C225 V227 V253 R255L206-P223 HydrophobicContact CD2-CB 4.01Å; W221-P223 HydrophobicContact CH2-CB 4.28Å; W221-P223 HydrophobicContact CH2-CG 4.05Å; W221-P223 HydrophobicContact CZ2-CB 3.8Å; W221-P223 HydrophobicContact CZ2-CG 4.02Å; W221-P223 HydrophobicContact CZ3-CG 4.36Å; P223-C225 WeakPolarHBondContact CB-O 3.36Å; P223-C225 PolarHBondContact O-N 2.88Å; P223-V227 HydrophobicContact CB-CG2 4.36Å; P223-V227 HydrophobicContact CG-CG2 4.09Å; P223-V253 HydrophobicContact CG-CG1 4.49Å; P223-R255 WeakPolarHBondContact CD-O 3.36Å
224T77.3Confident85.6Confident37 Ų3746.6 Ų46.623%0.22725%0.251CS..SBendtrans-63.9-31.2178.7-420000112.3
225C75.6Confident85.9Confident15 Ų1547.3 Ų47.310%0.10124%0.244CC..SBendtrans-117.4148177.2-67.30000110.6L176 P223 V227L176-C225 PolarHBondContact O-SG 3.15Å; P223-C225 WeakPolarHBondContact CB-O 3.36Å; P223-C225 PolarHBondContact O-N 2.88Å; C225-V227 PolarHBondContact O-N 2.94Å
226P73.7Confident86.1Confident69 Ų6937.2 Ų37.245%0.44821%0.206SC..  trans-66.7127.6178.128.1-33.1000109.7K146K146-P226 HydrophobicContact CG-CG 4.4Å; K146-P226 WeakPolarHBondContact O-CD 3.44Å
227V75.8Confident86Confident24 Ų2437.7 Ų37.715%0.14521%0.207CC..  trans-127.7138.5177-66.40000110L206 W221 P223 C225 V253 F272L206-V227 HydrophobicContact CD1-CG1 3.66Å; W221-V227 HydrophobicContact CH2-CG2 3.79Å; W221-V227 HydrophobicContact CZ2-CG2 4.49Å; P223-V227 HydrophobicContact CB-CG2 4.36Å; P223-V227 HydrophobicContact CG-CG2 4.09Å; C225-V227 PolarHBondContact O-N 2.94Å; V227-V253 HydrophobicContact CG2-CG1 3.93Å; V227-F272 HydrophobicContact CB-CZ 4.09Å; V227-F272 HydrophobicContact CG2-CE2 4.35Å; V227-F272 HydrophobicContact CG2-CZ 3.81Å
228S77.8Confident85.6Confident112 Ų11234.7 Ų34.778%0.78320%0.199SC*.  trans-94.8120.8178.5-61.10000109.9T274S228-T274 WeakPolarHBondContact O-CG2 3.03Å
229G83.9Confident84.9Confident11 Ų1139.4 Ų39.411%0.11323%0.23CC..SBendtrans170.1-168.9175.600000113.4V253 S273G229-V253 WeakPolarHBondContact O-CG2 3.07Å; G229-V253 PolarHBondContact O-N 2.95Å; G229-S273 WeakPolarHBondContact CA-O 3.29Å
230H89.4Confident84.2Confident86 Ų8643.3 Ų43.340%0.39827%0.272SS..EExtended strand (participates in β ladder)trans-115.1133.3-179.7-68.6-104.9000110.8Q251 F272 S273H230-Q251 WeakPolarHBondContact CA-O 3.47Å; H230-F272 CarbonylContact O-C 3.51Å; H230-F272 VanDerWaalsContact O-CA 3.26Å; H230-F272 WeakPolarHBondContact O-CA 3.32Å; H230-F272 WeakPolarHBondContact O-CD2 3.26Å; H230-S273 PolarHBondContact N-O 2.81Å; H230-S273 PolarHBondContact O-N 2.97Å
231V90.9Very high83.9Confident0 Ų044.6 Ų44.60%028%0.283CS..EExtended strand (participates in β ladder)trans-105142.9168.7173.30000109.3W207 W221 S250 Q251 V253 V257 Y259 L270 K271 F272W207-V231 HydrophobicContact CH2-CG2 4.5Å; W221-V231 HydrophobicContact CE3-CG2 3.7Å; W221-V231 HydrophobicContact CH2-CG2 4.36Å; W221-V231 HydrophobicContact CZ3-CG2 3.41Å; W221-V231 VanDerWaalsContact CZ3-CG2 3.41Å; V231-S250 CarbonylContact O-C 3.5Å; V231-S250 VanDerWaalsContact O-CA 3.29Å; V231-S250 WeakPolarHBondContact O-CA 3.28Å; V231-Q251 PolarHBondContact N-O 3.43Å; V231-Q251 PolarHBondContact O-N 2.89Å; V231-V253 HydrophobicContact CB-CG2 4.19Å; V231-V253 HydrophobicContact CG2-CG2 3.37Å; V231-V257 HydrophobicContact CB-CG1 4.33Å; V231-V257 HydrophobicContact CB-CG2 4.42Å; V231-V257 HydrophobicContact CG1-CG1 4.08Å; V231-V257 HydrophobicContact CG2-CG2 4.4Å; V231-Y259 HydrophobicContact CG1-CE2 4.04Å; V231-Y259 PolarHBondContact O-OH 2.61Å; V231-L270 HydrophobicContact CG1-CD1 3.53Å; V231-L270 HydrophobicContact CG1-CD2 4.06Å; V231-L270 HydrophobicContact CG1-CG 3.72Å; V231-K271 CarbonylContact C-O 3.6Å; V231-K271 WeakPolarHBondContact CA-O 3.37Å; V231-F272 HydrophobicContact CG2-CB 4.24Å; V231-F272 HydrophobicContact CG2-CD2 3.74Å; V231-F272 HydrophobicContact CG2-CG 4.43Å
232S92.3Very high83.8Confident1 Ų149.7 Ų49.71%0.00732%0.319CS..EExtended strand (participates in β ladder)trans-14915217553.30000111K245 K271S232-K245 VanDerWaalsContact CB-CE 3.49Å; S232-K271 PolarHBondContact N-O 2.88Å; S232-K271 PolarHBondContact O-N 2.02Å
233L92.9Very high83.9Confident19 Ų1946.6 Ų46.610%0.09931%0.306CS..EExtended strand (participates in β ladder)trans-72.9144.6166.6-63.2174.5000108.8L219 L246 S249 Y259 L268 C269 L270L219-L233 HydrophobicContact CD2-CD2 3.94Å; L233-L246 HydrophobicContact CB-CB 4.3Å; L233-L246 HydrophobicContact CB-CD1 4.43Å; L233-L246 HydrophobicContact CB-CD2 4.29Å; L233-L246 PolarHBondContact O-N 3.5Å; L233-S249 PolarHBondContact N-OG 2.99Å; L233-S249 PolarHBondContact O-OG 3.39Å; L233-Y259 HydrophobicContact CD1-CD1 3.67Å; L233-Y259 HydrophobicContact CD1-CE1 4.09Å; L233-Y259 HydrophobicContact CD1-CG 4.01Å; L233-Y259 HydrophobicContact CD2-CD1 4.39Å; L233-Y259 HydrophobicContact CD2-CD2 4.02Å; L233-Y259 HydrophobicContact CD2-CE2 4.27Å; L233-Y259 HydrophobicContact CD2-CG 4.08Å; L233-Y259 HydrophobicContact CG-CD1 3.86Å; L233-Y259 HydrophobicContact CG-CD2 4.3Å; L233-Y259 HydrophobicContact CG-CE1 3.88Å; L233-Y259 HydrophobicContact CG-CE2 4.33Å; L233-Y259 HydrophobicContact CG-CG 4.07Å; L233-L268 HydrophobicContact CB-CD1 4.32Å; L233-C269 WeakPolarHBondContact CA-O 3.47Å; L233-L270 HydrophobicContact CD2-CD1 3.98Å
234C92Very high84.4Confident0 Ų055 Ų550%034%0.337CS..EExtended strand (participates in β ladder)trans-141.2152.7175.171.40000111.1C243 R244 L246 C269 K271C234-C243 HydrophobicContact CB-CB 3.85Å; C234-C243 WeakPolarHBondContact CB-SG 3.44Å; C234-C243 WeakPolarHBondContact SG-CB 3.18Å; C234-C243 CovalentContact SG-SG 2.01Å; C234-C243 PolarHBondContact SG-SG 3.12Å; C234-R244 CarbonylContact C-O 3.48Å; C234-R244 WeakPolarHBondContact CA-O 3.4Å; C234-R244 WeakPolarHBondContact CB-O 3.4Å; C234-L246 VanDerWaalsContact C-CD1 3.42Å; C234-L246 VanDerWaalsContact CA-CD1 3.45Å; C234-C269 PolarHBondContact N-O 3.1Å; C234-C269 PolarHBondContact O-N 3.13Å; C234-K271 HydrophobicContact CB-CB 4.2Å
235W90.9Very high85.1Confident90 Ų9057.8 Ų57.834%0.34135%0.346SS..EExtended strand (participates in β ladder)trans-103.4123178.4-175.2-96.2000109.9R244 L246 Q265 Q267W235-R244 PolarHBondContact N-O 3.18Å; W235-R244 PolarHBondContact O-N 3.07Å; W235-L246 HydrophobicContact CB-CD1 3.97Å; W235-Q265 HydrophobicContact CH2-CB 4.44Å; W235-Q265 HydrophobicContact CZ3-CB 4.15Å; W235-Q267 WeakPolarHBondContact CA-O 3.49Å; W235-Q267 HydrophobicContact CD2-CB 3.71Å; W235-Q267 VanDerWaalsContact CE2-CB 3.48Å; W235-Q267 HydrophobicContact CE3-CB 3.78Å; W235-Q267 HydrophobicContact CH2-CB 3.51Å; W235-Q267 HydrophobicContact CH2-CG 3.92Å; W235-Q267 HydrophobicContact CZ2-CB 3.41Å; W235-Q267 VanDerWaalsContact CZ2-CB 3.41Å; W235-Q267 HydrophobicContact CZ2-CG 3.58Å; W235-Q267 HydrophobicContact CZ3-CB 3.68Å
236R90.3Very high85.8Confident44 Ų4460.1 Ų60.117%0.16636%0.357CS..  trans-110.9110.8177.6-169171.264.3-179.72.2110.4G238 A241 Q267 C282 E285R236-G238 VanDerWaalsContact C-N 3.26Å; R236-G238 WeakPolarHBondContact CG-O 3.25Å; R236-G238 PolarHBondContact O-N 2.83Å; R236-A241 WeakPolarHBondContact CD-O 3.49Å; R236-A241 HydrophobicContact CG-CB 4.42Å; R236-A241 WeakPolarHBondContact CG-O 3.38Å; R236-Q267 PolarHBondContact N-O 2.76Å; R236-Q267 WeakPolarHBondContact O-CB 3.44Å; R236-Q267 WeakPolarHBondContact O-CG 3.36Å; R236-C282 PolarHBondContact NH2-SG 2.89Å; R236-E285 IonicContact CZ-OE1 3.79Å; R236-E285 IonicContact CZ-OE2 3.84Å; R236-E285 IonicContact NH2-OE1 2.76Å; R236-E285 PolarHBondContact NH2-OE1 3.13Å; R236-E285 IonicContact NH2-OE2 2.7Å; R236-E285 PolarHBondContact NH2-OE2 3.24Å
237P84.8Confident86.4Confident71 Ų7164.6 Ų64.646%0.46137%0.372SS..  trans-62-30.2-175.6-23.832.9000114.7A241P237-A241 HydrophobicContact CB-CB 4.45Å; P237-A241 HydrophobicContact CG-CB 4.42Å
238G80.4Confident87Confident24 Ų2475.3 Ų75.325%0.24741%0.41CS..SBendtrans-171.1175.6-179.900000112.4R236 G240 A241R236-G238 VanDerWaalsContact C-N 3.26Å; R236-G238 WeakPolarHBondContact CG-O 3.25Å; R236-G238 PolarHBondContact O-N 2.83Å; G238-G240 PolarHBondContact O-N 3.4Å; G238-A241 WeakPolarHBondContact O-CB 3.4Å; G238-A241 PolarHBondContact O-N 2.88Å; G238-A241 VanDerWaalsContact O-N 3.13Å
239P76.9Confident87.6Confident117 Ų11770.6 Ų70.676%0.7638%0.377SS*.THydrogen-bonded Turntrans-56.8133177.7-20.632.2000110.7A241P239-A241 PolarHBondContact O-N 3.28Å
240G75.4Confident87.9Confident85 Ų8572.4 Ų72.488%0.87639%0.388SS*.THydrogen-bonded Turntrans75.1-7.3-178.500000116G238G238-G240 PolarHBondContact O-N 3.4Å
241A84.8Confident87.9Confident38 Ų3871.7 Ų71.731%0.31439%0.385SS..PPolyproline II helixtrans-76.2144.8175.300000111.9R236 P237 G238 P239 C243R236-A241 WeakPolarHBondContact CD-O 3.49Å; R236-A241 HydrophobicContact CG-CB 4.42Å; R236-A241 WeakPolarHBondContact CG-O 3.38Å; P237-A241 HydrophobicContact CB-CB 4.45Å; P237-A241 HydrophobicContact CG-CB 4.42Å; G238-A241 WeakPolarHBondContact O-CB 3.4Å; G238-A241 PolarHBondContact O-N 2.88Å; G238-A241 VanDerWaalsContact O-N 3.13Å; P239-A241 PolarHBondContact O-N 3.28Å; A241-C243 PolarHBondContact O-N 3.31Å
242S87.3Confident87.6Confident109 Ų10976.7 Ų76.776%0.76241%0.41SS*.PPolyproline II helixtrans-62130.7175.4-62.10000111.8R244S242-R244 PolarHBondContact O-N 3.04Å
243C89.9Confident87Confident20 Ų2077.1 Ų77.114%0.13541%0.413CS..PPolyproline II helixtrans-75.5118.1179.9-150.90000111.4C234 A241 V280C234-C243 HydrophobicContact CB-CB 3.85Å; C234-C243 WeakPolarHBondContact CB-SG 3.44Å; C234-C243 WeakPolarHBondContact SG-CB 3.18Å; C234-C243 CovalentContact SG-SG 2.01Å; C234-C243 PolarHBondContact SG-SG 3.12Å; A241-C243 PolarHBondContact O-N 3.31Å; C243-V280 HydrophobicContact CB-CG1 4.04Å; C243-V280 HydrophobicContact CB-CG2 4.09Å
244R91.1Very high85.8Confident182 Ų18283.1 Ų83.169%0.68744%0.44SS*.EExtended strand (participates in β ladder)trans-85.2113.5-178.1-60.1-178.1-177-174.70.2109.7C234 W235 S242 L246C234-R244 CarbonylContact C-O 3.48Å; C234-R244 WeakPolarHBondContact CA-O 3.4Å; C234-R244 WeakPolarHBondContact CB-O 3.4Å; W235-R244 PolarHBondContact N-O 3.18Å; W235-R244 PolarHBondContact O-N 3.07Å; S242-R244 PolarHBondContact O-N 3.04Å; R244-L246 PolarHBondContact O-N 2.85Å
245K90.9Very high85Confident97 Ų9792.5 Ų92.542%0.42248%0.476SS..EExtended strand (participates in β ladder)trans-58.8129.7-179-179172.2177.7171.40111.2S232 S250S232-K245 VanDerWaalsContact CB-CE 3.49Å; K245-S250 PolarHBondContact NZ-OG 2.93Å
246L90.9Very high84.7Confident63 Ų6394.8 Ų94.833%0.3348%0.484SS..PPolyproline II helixtrans-73.4126.1170.4-84.173.7000108.8L233 C234 W235 R244 S249 L268L233-L246 HydrophobicContact CB-CB 4.3Å; L233-L246 HydrophobicContact CB-CD1 4.43Å; L233-L246 HydrophobicContact CB-CD2 4.29Å; L233-L246 PolarHBondContact O-N 3.5Å; C234-L246 VanDerWaalsContact C-CD1 3.42Å; C234-L246 VanDerWaalsContact CA-CD1 3.45Å; W235-L246 HydrophobicContact CB-CD1 3.97Å; R244-L246 PolarHBondContact O-N 2.85Å; L246-S249 PolarHBondContact O-N 2.8Å; L246-S249 PolarHBondContact O-OG 2.79Å; L246-L268 HydrophobicContact CD1-CD1 4.44Å; L246-L268 HydrophobicContact CD2-CD1 4.38Å
247Q86.9Confident84.6Confident163 Ų16392.8 Ų92.876%0.76248%0.477SS*.THydrogen-bonded Turntrans-60.4144.3178.6-64-59.4-2900110.6S249Q247-S249 PolarHBondContact O-N 2.88Å; Q247-S249 VanDerWaalsContact O-N 3.09Å
248R87.2Confident85Confident250 Ų25093.7 Ų93.794%0.94348%0.475SS*.THydrogen-bonded Turntrans61.410-179.2-55.1179.2177.5165.8-1.5116.5
249S89.7Confident85.5Confident13 Ų1393.3 Ų93.39%0.09147%0.466CS..  trans-89.3-2.217271.10000113.4L233 L246 Q247 Q251 Y259L233-S249 PolarHBondContact N-OG 2.99Å; L233-S249 PolarHBondContact O-OG 3.39Å; L246-S249 PolarHBondContact O-N 2.8Å; L246-S249 PolarHBondContact O-OG 2.79Å; Q247-S249 PolarHBondContact O-N 2.88Å; Q247-S249 VanDerWaalsContact O-N 3.09Å; S249-Q251 PolarHBondContact O-N 2.84Å; S249-Y259 VanDerWaalsContact O-CE1 3.26Å; S249-Y259 WeakPolarHBondContact O-CE1 3.33Å; S249-Y259 PolarHBondContact O-OH 3.29Å
250S90.1Very high86.1Confident48 Ų4892.1 Ų92.134%0.33646%0.458SS..  trans-74.8126.6-172.7-150.40000111.8V231 K245V231-S250 CarbonylContact O-C 3.5Å; V231-S250 VanDerWaalsContact O-CA 3.29Å; V231-S250 WeakPolarHBondContact O-CA 3.28Å; K245-S250 PolarHBondContact NZ-OG 2.93Å
251Q89.8Confident86.7Confident72 Ų7294.7 Ų94.734%0.33645%0.452SS..EExtended strand (participates in β ladder)trans-126.3146.5174.9-59.2-173.534.400110.1H230 V231 S249 V257 Q258 Y259H230-Q251 WeakPolarHBondContact CA-O 3.47Å; V231-Q251 PolarHBondContact N-O 3.43Å; V231-Q251 PolarHBondContact O-N 2.89Å; S249-Q251 PolarHBondContact O-N 2.84Å; Q251-V257 HydrophobicContact CB-CG1 4.34Å; Q251-Q258 PolarHBondContact NE2-O 2.87Å; Q251-Y259 HydrophobicContact CG-CE1 4.43Å
252L85.6Confident86.8Confident104 Ų10493.3 Ų93.355%0.54544%0.439SS..EExtended strand (participates in β ladder)trans-80132.2171.8-87.5152.4000110H254L252-H254 PolarHBondContact O-N 2.8Å; L252-H254 PolarHBondContact O-ND1 3.02Å; L252-H254 VanDerWaalsContact O-ND1 3.15Å
253V80.1Confident86.7Confident10 Ų1092.4 Ų92.46%0.06143%0.426CS..  trans-79.1120.5180-173.50000109.7W221 P223 V227 G229 V231 V257 F272W221-V253 HydrophobicContact CH2-CG1 4.21Å; W221-V253 HydrophobicContact CH2-CG2 4.47Å; W221-V253 HydrophobicContact CZ3-CB 4.38Å; W221-V253 HydrophobicContact CZ3-CG1 3.68Å; W221-V253 HydrophobicContact CZ3-CG2 3.72Å; P223-V253 HydrophobicContact CG-CG1 4.49Å; V227-V253 HydrophobicContact CG2-CG1 3.93Å; G229-V253 WeakPolarHBondContact O-CG2 3.07Å; G229-V253 PolarHBondContact O-N 2.95Å; V231-V253 HydrophobicContact CB-CG2 4.19Å; V231-V253 HydrophobicContact CG2-CG2 3.37Å; V253-V257 HydrophobicContact CG2-CG2 4.3Å; V253-F272 HydrophobicContact CB-CE2 4.42Å; V253-F272 HydrophobicContact CG2-CD2 4Å; V253-F272 HydrophobicContact CG2-CE2 3.7Å
254H67.3Low86.4Confident146 Ų14692.6 Ų92.668%0.67643%0.426SS*.SBendtrans-121.3-50.1176-71.778.4000112.1L252L252-H254 PolarHBondContact O-N 2.8Å; L252-H254 PolarHBondContact O-ND1 3.02Å; L252-H254 VanDerWaalsContact O-ND1 3.15Å
255R73.9Confident86.1Confident197 Ų19787.3 Ų87.374%0.74341%0.409SS*.SBendtrans-145.8-54.1176.6-82.3-169.7175.2-169.1-0.7112.3P223P223-R255 WeakPolarHBondContact CD-O 3.36Å
256R85.4Confident85.8Confident137 Ų13786 Ų8652%0.51741%0.411SS..  trans-137.8139.3-178.2-176.7-174.4-68169-1.3108.4W221 E222 Q258W221-R256 WeakPolarHBondContact O-CA 3.46Å; E222-R256 HydrophobicContact CB-CG 4.28Å; E222-R256 HydrophobicContact CG-CB 4.48Å; E222-R256 IonicContact OE1-NE 3.19Å; E222-R256 IonicContact OE1-NH2 2.84Å; E222-R256 PolarHBondContact OE1-NH2 2.94Å; E222-R256 IonicContact OE2-CZ 2.8Å; E222-R256 IonicContact OE2-NE 3.83Å; E222-R256 PolarHBondContact OE2-NE 2.85Å; E222-R256 IonicContact OE2-NH2 3.43Å; E222-R256 PolarHBondContact OE2-NH2 2.86Å; R256-Q258 HydrophobicContact CG-CG 4.1Å
257V89Confident85.7Confident2 Ų286.2 Ų86.21%0.01241%0.41CS..EExtended strand (participates in β ladder)trans-116.3133.6173.4-177.70000108.1S220 W221 V231 Q251 V253 Y259S220-V257 WeakPolarHBondContact CA-O 3.32Å; W221-V257 HydrophobicContact CE3-CG2 4.31Å; W221-V257 PolarHBondContact N-O 3.32Å; W221-V257 PolarHBondContact O-N 3.14Å; V231-V257 HydrophobicContact CB-CG1 4.33Å; V231-V257 HydrophobicContact CB-CG2 4.42Å; V231-V257 HydrophobicContact CG1-CG1 4.08Å; V231-V257 HydrophobicContact CG2-CG2 4.4Å; Q251-V257 HydrophobicContact CB-CG1 4.34Å; V253-V257 HydrophobicContact CG2-CG2 4.3Å; V257-Y259 HydrophobicContact CG1-CD2 4.22Å; V257-Y259 HydrophobicContact CG1-CE2 3.53Å
258Q91.8Very high85.9Confident91 Ų9179.2 Ų79.243%0.42538%0.378SS..EExtended strand (participates in β ladder)trans-132.6138.2178.8-67-177.2-2700110.3T218 L219 Q251 R256T218-Q258 HydrophobicContact CG2-CB 4.12Å; T218-Q258 HydrophobicContact CG2-CG 4.39Å; L219-Q258 CarbonylContact O-C 3.56Å; L219-Q258 WeakPolarHBondContact O-CA 3.3Å; Q251-Q258 PolarHBondContact NE2-O 2.87Å; R256-Q258 HydrophobicContact CG-CG 4.1Å
259Y91Very high86Confident16 Ų1667.3 Ų67.36%0.06333%0.333CS..EExtended strand (participates in β ladder)trans-120.8104.8169.5-65.2-85.4000107.5T218 L219 V231 L233 S249 Q251 V257 V262 L270T218-Y259 WeakPolarHBondContact CA-O 3.42Å; L219-Y259 PolarHBondContact N-O 2.99Å; L219-Y259 PolarHBondContact O-N 3.36Å; V231-Y259 HydrophobicContact CG1-CE2 4.04Å; V231-Y259 PolarHBondContact O-OH 2.61Å; L233-Y259 HydrophobicContact CD1-CD1 3.67Å; L233-Y259 HydrophobicContact CD1-CE1 4.09Å; L233-Y259 HydrophobicContact CD1-CG 4.01Å; L233-Y259 HydrophobicContact CD2-CD1 4.39Å; L233-Y259 HydrophobicContact CD2-CD2 4.02Å; L233-Y259 HydrophobicContact CD2-CE2 4.27Å; L233-Y259 HydrophobicContact CD2-CG 4.08Å; L233-Y259 HydrophobicContact CG-CD1 3.86Å; L233-Y259 HydrophobicContact CG-CD2 4.3Å; L233-Y259 HydrophobicContact CG-CE1 3.88Å; L233-Y259 HydrophobicContact CG-CE2 4.33Å; L233-Y259 HydrophobicContact CG-CG 4.07Å; S249-Y259 VanDerWaalsContact O-CE1 3.26Å; S249-Y259 WeakPolarHBondContact O-CE1 3.33Å; S249-Y259 PolarHBondContact O-OH 3.29Å; Q251-Y259 HydrophobicContact CG-CE1 4.43Å; V257-Y259 HydrophobicContact CG1-CD2 4.22Å; V257-Y259 HydrophobicContact CG1-CE2 3.53Å; Y259-V262 VanDerWaalsContact O-CG2 3.25Å; Y259-V262 WeakPolarHBondContact O-CG2 3.42Å; Y259-L270 HydrophobicContact CD2-CD1 4.06Å; Y259-L270 HydrophobicContact CE2-CD1 3.67Å
260P90.5Very high86.1Confident91 Ų9166.8 Ų66.859%0.59133%0.329SS*.SBendtrans-75.8160.4175.832.3-34.5000111V262P260-V262 VanDerWaalsContact C-N 3.31Å; P260-V262 PolarHBondContact O-N 2.8Å
261L88.1Confident86.1Confident140 Ų14066.9 Ų66.973%0.73332%0.324SS*.SBendtrans55.243.6175-55173.9000113.3Q217Q217-L261 WeakPolarHBondContact O-CA 3.35Å; Q217-L261 PolarHBondContact O-N 3.13Å
262V86.4Confident86Confident9 Ų963.5 Ų63.56%0.05531%0.308CS..  trans-90.9120179173.70000110.1Y212 Q217 L219 Y259 P260 L268 F284Y212-V262 HydrophobicContact CE2-CB 4.28Å; Y212-V262 VanDerWaalsContact CE2-O 3.32Å; Y212-V262 WeakPolarHBondContact CE2-O 3.33Å; Y212-V262 PolarHBondContact OH-O 3.23Å; Q217-V262 PolarHBondContact O-N 3.48Å; L219-V262 HydrophobicContact CB-CB 4.3Å; L219-V262 HydrophobicContact CB-CG1 4.34Å; L219-V262 HydrophobicContact CB-CG2 4.11Å; Y259-V262 VanDerWaalsContact O-CG2 3.25Å; Y259-V262 WeakPolarHBondContact O-CG2 3.42Å; P260-V262 VanDerWaalsContact C-N 3.31Å; P260-V262 PolarHBondContact O-N 2.8Å; V262-L268 HydrophobicContact CG1-CD2 3.35Å; V262-F284 HydrophobicContact CG1-CE2 4.11Å; V262-F284 HydrophobicContact CG1-CZ 4.09Å
263D84Confident85.9Confident90 Ų9060.4 Ų60.448%0.48130%0.295SS..  trans-68.9142.4171.3-78.5-24.7000111.6Q265D263-Q265 HydrophobicContact CB-CG 4.11Å; D263-Q265 PolarHBondContact O-N 2.9Å
264T84.6Confident86Confident23 Ų2361.5 Ų61.514%0.14130%0.301CS..  trans-79.754.3-17859.10000112.5Y212 F284 F289Y212-T264 HydrophobicContact CD1-CG2 4.23Å; Y212-T264 HydrophobicContact CE1-CG2 3.46Å; Y212-T264 VanDerWaalsContact CE1-CG2 3.46Å; Y212-T264 HydrophobicContact CE2-CG2 4.39Å; Y212-T264 WeakPolarHBondContact OH-CG2 3.34Å; T264-F284 HydrophobicContact CG2-CD1 4.14Å; T264-F284 HydrophobicContact CG2-CE1 3.82Å; T264-F289 HydrophobicContact CG2-CD1 3.94Å; T264-F289 HydrophobicContact CG2-CE1 3.96Å; T264-F289 HydrophobicContact CG2-CG 4.21Å; T264-F289 HydrophobicContact CG2-CZ 4.23Å
265Q84.9Confident86.4Confident71 Ų7159.9 Ų59.933%0.33231%0.306SS..  trans-82.1129.9179.8-61.9-163.8-0.200111.3W235 D263 Q267 L268 F284W235-Q265 HydrophobicContact CH2-CB 4.44Å; W235-Q265 HydrophobicContact CZ3-CB 4.15Å; D263-Q265 HydrophobicContact CB-CG 4.11Å; D263-Q265 PolarHBondContact O-N 2.9Å; Q265-Q267 PolarHBondContact O-N 2.7Å; Q265-Q267 VanDerWaalsContact O-N 3.1Å; Q265-L268 HydrophobicContact CB-CB 4.28Å; Q265-L268 WeakPolarHBondContact O-CB 3.26Å; Q265-L268 PolarHBondContact O-N 3.17Å; Q265-F284 WeakPolarHBondContact O-CB 3.35Å; Q265-F284 WeakPolarHBondContact O-CD2 3.42Å
266P85.1Confident86.2Confident71 Ų7160 Ų6046%0.46131%0.307SS..THydrogen-bonded Turntrans-57.7-28.1-177.4-26.934.6000114.9L268P266-L268 VanDerWaalsContact C-N 3.34Å
267Q88.9Confident85.8Confident67 Ų6754.8 Ų54.831%0.31330%0.296SS..THydrogen-bonded Turntrans-84.2-10.1-179.3-56.1840.600112.8W235 R236 Q265W235-Q267 WeakPolarHBondContact CA-O 3.49Å; W235-Q267 HydrophobicContact CD2-CB 3.71Å; W235-Q267 VanDerWaalsContact CE2-CB 3.48Å; W235-Q267 HydrophobicContact CE3-CB 3.78Å; W235-Q267 HydrophobicContact CH2-CB 3.51Å; W235-Q267 HydrophobicContact CH2-CG 3.92Å; W235-Q267 HydrophobicContact CZ2-CB 3.41Å; W235-Q267 VanDerWaalsContact CZ2-CB 3.41Å; W235-Q267 HydrophobicContact CZ2-CG 3.58Å; W235-Q267 HydrophobicContact CZ3-CB 3.68Å; R236-Q267 PolarHBondContact N-O 2.76Å; R236-Q267 WeakPolarHBondContact O-CB 3.44Å; R236-Q267 WeakPolarHBondContact O-CG 3.36Å; Q265-Q267 PolarHBondContact O-N 2.7Å; Q265-Q267 VanDerWaalsContact O-N 3.1Å
268L90.6Very high85.6Confident16 Ų1657.9 Ų57.98%0.08432%0.318CS..EExtended strand (participates in β ladder)trans-83.1124.1-179.5-171.568.7000110.3L233 L246 V262 Q265 P266 F284L233-L268 HydrophobicContact CB-CD1 4.32Å; L246-L268 HydrophobicContact CD1-CD1 4.44Å; L246-L268 HydrophobicContact CD2-CD1 4.38Å; V262-L268 HydrophobicContact CG1-CD2 3.35Å; Q265-L268 HydrophobicContact CB-CB 4.28Å; Q265-L268 WeakPolarHBondContact O-CB 3.26Å; Q265-L268 PolarHBondContact O-N 3.17Å; P266-L268 VanDerWaalsContact C-N 3.34Å; L268-F284 HydrophobicContact CB-CD2 4.22Å; L268-F284 HydrophobicContact CB-CE2 4.42Å; L268-F284 HydrophobicContact CD2-CE2 4.17Å
269C89.8Confident85.3Confident0 Ų054.9 Ų54.90%030%0.302CS..EExtended strand (participates in β ladder)trans-132158.9-176.3-50.60000111L233 C234 V280 R281 C282L233-C269 WeakPolarHBondContact CA-O 3.47Å; C234-C269 PolarHBondContact N-O 3.1Å; C234-C269 PolarHBondContact O-N 3.13Å; C269-V280 HydrophobicContact CB-CG1 3.71Å; C269-R281 CarbonylContact C-O 3.49Å; C269-R281 WeakPolarHBondContact CA-O 3.39Å; C269-R281 WeakPolarHBondContact CB-O 3.38Å; C269-C282 HydrophobicContact CB-CB 3.99Å; C269-C282 WeakPolarHBondContact CB-SG 3.34Å; C269-C282 WeakPolarHBondContact SG-CB 3.2Å; C269-C282 CovalentContact SG-SG 2.02Å; C269-C282 PolarHBondContact SG-SG 3.19Å
270L90.8Very high85.2Confident2 Ų256.8 Ų56.81%0.0132%0.315CS..EExtended strand (participates in β ladder)trans-97.6128.7170.7-159.573.4000108.4W207 V210 L219 W221 V231 L233 Y259 V280 R281W207-L270 HydrophobicContact CZ3-CB 4.43Å; W207-L270 HydrophobicContact CZ3-CD2 3.8Å; W207-L270 HydrophobicContact CZ3-CG 4.19Å; V210-L270 HydrophobicContact CG1-CD2 4Å; V210-L270 HydrophobicContact CG2-CD2 3.81Å; L219-L270 HydrophobicContact CD2-CD1 4.08Å; W221-L270 HydrophobicContact CB-CD2 3.91Å; W221-L270 HydrophobicContact CG-CD2 4.28Å; V231-L270 HydrophobicContact CG1-CD1 3.53Å; V231-L270 HydrophobicContact CG1-CD2 4.06Å; V231-L270 HydrophobicContact CG1-CG 3.72Å; L233-L270 HydrophobicContact CD2-CD1 3.98Å; Y259-L270 HydrophobicContact CD2-CD1 4.06Å; Y259-L270 HydrophobicContact CE2-CD1 3.67Å; L270-V280 CarbonylContact O-C 3.56Å; L270-V280 WeakPolarHBondContact O-CA 3.21Å; L270-R281 PolarHBondContact N-O 3.37Å; L270-R281 PolarHBondContact O-N 2.71Å
271K90.4Very high85.1Confident50 Ų5057.7 Ų57.722%0.21731%0.307CS..EExtended strand (participates in β ladder)trans-117.5128.3175.2176.8172.6-179.3172.10110.5V231 S232 C234 S273 W279 V280V231-K271 CarbonylContact C-O 3.6Å; V231-K271 WeakPolarHBondContact CA-O 3.37Å; S232-K271 PolarHBondContact N-O 2.88Å; S232-K271 PolarHBondContact O-N 2.02Å; C234-K271 HydrophobicContact CB-CB 4.2Å; K271-S273 WeakPolarHBondContact CE-OG 3.41Å; K271-W279 WeakPolarHBondContact CA-O 2.96Å; K271-V280 HydrophobicContact CB-CG2 4.1Å; K271-V280 HydrophobicContact CD-CG2 4.22Å; K271-V280 HydrophobicContact CG-CG2 3.99Å
272F87.1Confident85Confident1 Ų151.6 Ų51.60%0.00428%0.276CS..EExtended strand (participates in β ladder)trans-108.7149.2167.9175.2-121.9000111.5W207 W221 V227 H230 V231 V253 T274 S278 W279W207-F272 HydrophobicContact CH2-CB 3.06Å; W207-F272 HydrophobicContact CH2-CD1 4.33Å; W207-F272 AromaticContact CH2-CG 3.85Å; W207-F272 HydrophobicContact CH2-CG 3.85Å; W207-F272 HydrophobicContact CZ2-CB 2.98Å; W207-F272 AromaticContact CZ2-CD1 3.43Å; W207-F272 HydrophobicContact CZ2-CD1 3.43Å; W207-F272 VanDerWaalsContact CZ2-CD1 3.43Å; W207-F272 HydrophobicContact CZ2-CD2 4.38Å; W207-F272 HydrophobicContact CZ2-CE1 4.4Å; W207-F272 AromaticContact CZ2-CG 3.41Å; W207-F272 HydrophobicContact CZ2-CG 3.41Å; W207-F272 VanDerWaalsContact CZ2-CG 3.41Å; W207-F272 HydrophobicContact CZ3-CB 4.12Å; W221-F272 HydrophobicContact CH2-CD2 4.34Å; W221-F272 HydrophobicContact CH2-CE2 4.35Å; V227-F272 HydrophobicContact CB-CZ 4.09Å; V227-F272 HydrophobicContact CG2-CE2 4.35Å; V227-F272 HydrophobicContact CG2-CZ 3.81Å; H230-F272 CarbonylContact O-C 3.51Å; H230-F272 VanDerWaalsContact O-CA 3.26Å; H230-F272 WeakPolarHBondContact O-CA 3.32Å; H230-F272 WeakPolarHBondContact O-CD2 3.26Å; V231-F272 HydrophobicContact CG2-CB 4.24Å; V231-F272 HydrophobicContact CG2-CD2 3.74Å; V231-F272 HydrophobicContact CG2-CG 4.43Å; V253-F272 HydrophobicContact CB-CE2 4.42Å; V253-F272 HydrophobicContact CG2-CD2 4Å; V253-F272 HydrophobicContact CG2-CE2 3.7Å; F272-T274 HydrophobicContact CD1-CG2 3.93Å; F272-T274 HydrophobicContact CE1-CG2 3.15Å; F272-T274 HydrophobicContact CE2-CG2 3.95Å; F272-T274 HydrophobicContact CZ-CG2 3.16Å; F272-S278 CarbonylContact O-C 3.52Å; F272-S278 WeakPolarHBondContact O-CA 3.49Å; F272-S278 WeakPolarHBondContact O-CB 3.49Å; F272-W279 AromaticContact CD1-CE3 3.71Å; F272-W279 HydrophobicContact CD1-CE3 3.71Å; F272-W279 HydrophobicContact CD1-CZ3 4.04Å; F272-W279 HydrophobicContact CE1-CE3 4.31Å; F272-W279 HydrophobicContact CE1-CZ3 4.22Å; F272-W279 PolarHBondContact N-O 3.39Å; F272-W279 PolarHBondContact O-N 2.82Å
273S84.9Confident85.1Confident38 Ų3852.4 Ų52.427%0.26628%0.282SS..EExtended strand (participates in β ladder)trans-144.3128.7-178.8-540000109.2G229 H230 K271G229-S273 WeakPolarHBondContact CA-O 3.29Å; H230-S273 PolarHBondContact N-O 2.81Å; H230-S273 PolarHBondContact O-N 2.97Å; K271-S273 WeakPolarHBondContact CE-OG 3.41Å
274T81.6Confident85.2Confident33 Ų3348.2 Ų48.220%0.20226%0.259CS..  trans-121.3-179.4173.869.10000109.1S228 F272 W276 G277 W279S228-T274 WeakPolarHBondContact O-CG2 3.03Å; F272-T274 HydrophobicContact CD1-CG2 3.93Å; F272-T274 HydrophobicContact CE1-CG2 3.15Å; F272-T274 HydrophobicContact CE2-CG2 3.95Å; F272-T274 HydrophobicContact CZ-CG2 3.16Å; T274-W276 PolarHBondContact O-N 2.79Å; T274-W276 PolarHBondContact OG1-N 2.89Å; T274-W276 VanDerWaalsContact OG1-N 3.14Å; T274-G277 PolarHBondContact N-O 2.01Å; T274-G277 PolarHBondContact OG1-N 3.31Å; T274-W279 HydrophobicContact CG2-CZ3 4.1Å
275S76.1Confident84.9Confident112 Ų11251.8 Ų51.878%0.78327%0.274SS*.SBendtrans-63.1-20.617048.70000113.5
276W68.9Low84Confident201 Ų20156.8 Ų56.876%0.76130%0.297SS*.SBendtrans-102.8-17.9-170.8-52.2103000113.5T274T274-W276 PolarHBondContact O-N 2.79Å; T274-W276 PolarHBondContact OG1-N 2.89Å; T274-W276 VanDerWaalsContact OG1-N 3.14Å
277G77.7Confident82.8Confident27 Ų2759.6 Ų59.628%0.27830%0.299SS..  trans174.9-179.3-177.500000114.4T274 W279T274-G277 PolarHBondContact N-O 2.01Å; T274-G277 PolarHBondContact OG1-N 3.31Å; G277-W279 WeakPolarHBondContact O-CZ3 3.06Å
278S84.4Confident81Confident67 Ų6768.5 Ų68.547%0.46933%0.33SS..EExtended strand (participates in β ladder)trans-140.1135.8174740000111.4F272F272-S278 CarbonylContact O-C 3.52Å; F272-S278 WeakPolarHBondContact O-CA 3.49Å; F272-S278 WeakPolarHBondContact O-CB 3.49Å
279W86.3Confident79.2Confident27 Ų2770 Ų7010%0.10234%0.336CS..EExtended strand (participates in β ladder)trans-123.7146.9-177.1-60.4-96.2000109.6L203 W207 K271 F272 T274 G277L203-W279 HydrophobicContact CB-CH2 4.45Å; L203-W279 HydrophobicContact CB-CZ2 3.93Å; L203-W279 HydrophobicContact CD1-CH2 3.89Å; L203-W279 HydrophobicContact CD1-CZ2 3.91Å; L203-W279 HydrophobicContact CG-CZ2 4.45Å; W207-W279 HydrophobicContact CD2-CB 4.23Å; W207-W279 HydrophobicContact CG-CB 4.46Å; W207-W279 AromaticContact NE1-CG 3.79Å; K271-W279 WeakPolarHBondContact CA-O 2.96Å; F272-W279 AromaticContact CD1-CE3 3.71Å; F272-W279 HydrophobicContact CD1-CE3 3.71Å; F272-W279 HydrophobicContact CD1-CZ3 4.04Å; F272-W279 HydrophobicContact CE1-CE3 4.31Å; F272-W279 HydrophobicContact CE1-CZ3 4.22Å; F272-W279 PolarHBondContact N-O 3.39Å; F272-W279 PolarHBondContact O-N 2.82Å; T274-W279 HydrophobicContact CG2-CZ3 4.1Å; G277-W279 WeakPolarHBondContact O-CZ3 3.06Å
280V88.1Confident77Confident56 Ų5675.3 Ų75.334%0.33937%0.37SS..EExtended strand (participates in β ladder)trans-131.5127.5-177.4-179.20000109.4C243 C269 L270 K271C243-V280 HydrophobicContact CB-CG1 4.04Å; C243-V280 HydrophobicContact CB-CG2 4.09Å; C269-V280 HydrophobicContact CB-CG1 3.71Å; L270-V280 CarbonylContact O-C 3.56Å; L270-V280 WeakPolarHBondContact O-CA 3.21Å; K271-V280 HydrophobicContact CB-CG2 4.1Å; K271-V280 HydrophobicContact CD-CG2 4.22Å; K271-V280 HydrophobicContact CG-CG2 3.99Å
281R87.7Confident74.7Confident110 Ų11081.5 Ų81.542%0.41541%0.408SS..EExtended strand (participates in β ladder)trans-123.2129.6174.2-171.267.3-179.4-173.4-2.7110.6W207 V210 C269 L270 P283W207-R281 HydrophobicContact CE3-CB 3.87Å; V210-R281 HydrophobicContact CB-CG 4.46Å; C269-R281 CarbonylContact C-O 3.49Å; C269-R281 WeakPolarHBondContact CA-O 3.39Å; C269-R281 WeakPolarHBondContact CB-O 3.38Å; L270-R281 PolarHBondContact N-O 3.37Å; L270-R281 PolarHBondContact O-N 2.71Å; R281-P283 VanDerWaalsContact O-CD 3.28Å; R281-P283 WeakPolarHBondContact O-CD 3.34Å
282C87.8Confident72.7Confident12 Ų1282.6 Ų82.68%0.08142%0.421CS..  trans-11289.6-178.9-55.20000109.5R236 C269 F284 E285R236-C282 PolarHBondContact NH2-SG 2.89Å; C269-C282 HydrophobicContact CB-CB 3.99Å; C269-C282 WeakPolarHBondContact CB-SG 3.34Å; C269-C282 WeakPolarHBondContact SG-CB 3.2Å; C269-C282 CovalentContact SG-SG 2.02Å; C269-C282 PolarHBondContact SG-SG 3.19Å; C282-F284 PolarHBondContact O-N 3.09Å; C282-F284 VanDerWaalsContact O-N 3.12Å; C282-E285 HydrophobicContact CB-CB 4.08Å; C282-E285 PolarHBondContact O-N 3.41Å
283P86.6Confident70.4Confident27 Ų2788.5 Ų88.518%0.17546%0.459CS..THydrogen-bonded Turntrans-65.8-17-172.426.3-34.7000113.6L219 R281L219-P283 HydrophobicContact CD1-CG 3.87Å; R281-P283 VanDerWaalsContact O-CD 3.28Å; R281-P283 WeakPolarHBondContact O-CD 3.34Å
284F86.2Confident68.4Low2 Ų293.2 Ų93.21%0.00949%0.486CS..THydrogen-bonded Turntrans-100.2-4.7-176.2-50.1-61.3000114Y212 V262 T264 Q265 L268 C282 Q286 F289Y212-F284 AromaticContact CD1-CE1 3.96Å; Y212-F284 HydrophobicContact CD1-CE1 3.96Å; Y212-F284 AromaticContact CD2-CE1 3.77Å; Y212-F284 HydrophobicContact CD2-CE1 3.77Å; Y212-F284 AromaticContact CD2-CZ 3.62Å; Y212-F284 HydrophobicContact CD2-CZ 3.62Å; Y212-F284 HydrophobicContact CE1-CE1 4.38Å; Y212-F284 HydrophobicContact CE2-CE1 4.2Å; Y212-F284 HydrophobicContact CE2-CZ 4.01Å; Y212-F284 AromaticContact CG-CE1 3.62Å; Y212-F284 HydrophobicContact CG-CE1 3.62Å; Y212-F284 AromaticContact CG-CZ 3.95Å; Y212-F284 HydrophobicContact CG-CZ 3.95Å; V262-F284 HydrophobicContact CG1-CE2 4.11Å; V262-F284 HydrophobicContact CG1-CZ 4.09Å; T264-F284 HydrophobicContact CG2-CD1 4.14Å; T264-F284 HydrophobicContact CG2-CE1 3.82Å; Q265-F284 WeakPolarHBondContact O-CB 3.35Å; Q265-F284 WeakPolarHBondContact O-CD2 3.42Å; L268-F284 HydrophobicContact CB-CD2 4.22Å; L268-F284 HydrophobicContact CB-CE2 4.42Å; L268-F284 HydrophobicContact CD2-CE2 4.17Å; C282-F284 PolarHBondContact O-N 3.09Å; C282-F284 VanDerWaalsContact O-N 3.12Å; F284-Q286 PolarHBondContact O-N 3.42Å; F284-F289 HydrophobicContact CB-CE2 4.4Å; F284-F289 HydrophobicContact CD1-CD2 4.19Å; F284-F289 AromaticContact CD1-CE2 3.5Å; F284-F289 HydrophobicContact CD1-CE2 3.5Å; F284-F289 AromaticContact CD1-CZ 3.97Å; F284-F289 HydrophobicContact CD1-CZ 3.97Å; F284-F289 HydrophobicContact CE1-CE2 4.3Å; F284-F289 HydrophobicContact CE1-CZ 4.33Å; F284-F289 HydrophobicContact CG-CE2 4.42Å
285E79.1Confident66.7Low98 Ų9895.9 Ų95.946%0.45851%0.506SS..THydrogen-bonded Turntrans-65.3-35.8-174.9-179.5168.2-137.200113.3R236 C282R236-E285 IonicContact CZ-OE1 3.79Å; R236-E285 IonicContact CZ-OE2 3.84Å; R236-E285 IonicContact NH2-OE1 2.76Å; R236-E285 PolarHBondContact NH2-OE1 3.13Å; R236-E285 IonicContact NH2-OE2 2.7Å; R236-E285 PolarHBondContact NH2-OE2 3.24Å; C282-E285 HydrophobicContact CB-CB 4.08Å; C282-E285 PolarHBondContact O-N 3.41Å
286Q66.4Low65.1Low175 Ų175102.4 Ų102.482%0.81851%0.514SS*.THydrogen-bonded Turntrans-98.2-3.1-174.5-70.5-178.9-13.800114.4F284F284-Q286 PolarHBondContact O-N 3.42Å
287R58.7Low63.7Low130 Ų13098 Ų9849%0.49151%0.512SS..  trans-103.7130.3-169.8-78.2-170.8177.5-163.39.1112.4F289R287-F289 HydrophobicContact CB-CD2 3.31Å; R287-F289 HydrophobicContact CB-CE2 3.11Å; R287-F289 HydrophobicContact CB-CG 4.24Å; R287-F289 HydrophobicContact CB-CZ 3.93Å; R287-F289 HydrophobicContact CG-CD2 4.39Å; R287-F289 HydrophobicContact CG-CE2 3.74Å; R287-F289 HydrophobicContact CG-CZ 4.17Å; R287-F289 PolarHBondContact O-N 2.84Å
288R51.6Low61.7Low254 Ų254103.2 Ų103.296%0.95854%0.539SS*.  trans-6961.5164.7-58.3178.1-170.11722110
289F52.4Low59.6Low49 Ų49105.7 Ų105.722%0.21556%0.555CS.*PPolyproline II helixtrans-68.5136.6168-71.5-75.7000108.1Y212 T264 F284 R287 T291Y212-F289 HydrophobicContact CD1-CZ 4.47Å; T264-F289 HydrophobicContact CG2-CD1 3.94Å; T264-F289 HydrophobicContact CG2-CE1 3.96Å; T264-F289 HydrophobicContact CG2-CG 4.21Å; T264-F289 HydrophobicContact CG2-CZ 4.23Å; F284-F289 HydrophobicContact CB-CE2 4.4Å; F284-F289 HydrophobicContact CD1-CD2 4.19Å; F284-F289 AromaticContact CD1-CE2 3.5Å; F284-F289 HydrophobicContact CD1-CE2 3.5Å; F284-F289 AromaticContact CD1-CZ 3.97Å; F284-F289 HydrophobicContact CD1-CZ 3.97Å; F284-F289 HydrophobicContact CE1-CE2 4.3Å; F284-F289 HydrophobicContact CE1-CZ 4.33Å; F284-F289 HydrophobicContact CG-CE2 4.42Å; R287-F289 HydrophobicContact CB-CD2 3.31Å; R287-F289 HydrophobicContact CB-CE2 3.11Å; R287-F289 HydrophobicContact CB-CG 4.24Å; R287-F289 HydrophobicContact CB-CZ 3.93Å; R287-F289 HydrophobicContact CG-CD2 4.39Å; R287-F289 HydrophobicContact CG-CE2 3.74Å; R287-F289 HydrophobicContact CG-CZ 4.17Å; R287-F289 PolarHBondContact O-N 2.84Å; F289-T291 PolarHBondContact O-N 3.36Å; F289-T291 VanDerWaalsContact O-N 3.13Å
290P45.4Very low57.2Low111 Ų111110.9 Ų110.972%0.72159%0.589SS**PPolyproline II helixtrans-56.3124.1170.6-7.817.8000107P292P290-P292 WeakPolarHBondContact O-CD 3.2Å
291T42.1Very low54.9Low131 Ų131114.8 Ų114.880%0.80461%0.613SS**PPolyproline II helixtrans-50.2117171.929.60000108.4F289F289-T291 PolarHBondContact O-N 3.36Å; F289-T291 VanDerWaalsContact O-N 3.13Å
292P47.8Very low52.6Low74 Ų74113.2 Ų113.248%0.48163%0.631SS.*PPolyproline II helixtrans-59145.1169.1-17.430.1000108.1P290 T294P290-P292 WeakPolarHBondContact O-CD 3.2Å; P292-T294 PolarHBondContact O-N 3.07Å; P292-T294 VanDerWaalsContact O-N 3.07Å
293P39.6Very low49.8Very low125 Ų125116 Ų11681%0.81266%0.662SS**PPolyproline II helixtrans-54.7122.6171.723.2-31.1000107.8S295P293-S295 PolarHBondContact O-N 2.95Å
294T42.5Very low47.2Very low137 Ų137119.7 Ų119.784%0.8469%0.689SS**  trans-42108.4-179.240.90000110.8P292 R296P292-T294 PolarHBondContact O-N 3.07Å; P292-T294 VanDerWaalsContact O-N 3.07Å; T294-R296 PolarHBondContact O-N 2.77Å
295S44.8Very low44.8Very low88 Ų88127.9 Ų127.962%0.61573%0.726SS**  trans-60.7133.4168.9520000109.1P293 C297P293-S295 PolarHBondContact O-N 2.95Å; S295-C297 PolarHBondContact O-N 3.47Å
296R44.3Very low42.5Very low250 Ų250129 Ų12994%0.94375%0.745SS**SBendtrans-65.947.4-175.9-68.1-178.8172.6-155.5-0.6115T294T294-R296 PolarHBondContact O-N 2.77Å
297C39.2Very low40.9Very low108 Ų108125.6 Ų125.673%0.7374%0.74SS**  trans-128.777.4174.2-65.70000109.9S295 C299S295-C297 PolarHBondContact O-N 3.47Å; C297-C299 PolarHBondContact O-N 3.41Å
298T35.4Very low39.6Very low136 Ų136127.5 Ų127.583%0.83476%0.759SS**  trans-76.2107.2160.636.70000108.8V300T298-V300 PolarHBondContact O-N 3.35Å
299C39Very low38.8Very low119 Ų119120.9 Ų120.980%0.80475%0.749SS**  trans-73.5113165.2-64.90000108.8C297 T301C297-C299 PolarHBondContact O-N 3.41Å; C299-T301 PolarHBondContact O-N 3.28Å
300V37.7Very low37.6Very low136 Ų136123.4 Ų123.482%0.82478%0.78SS**  trans-70.5111170.5178.70000108T298 G302T298-V300 PolarHBondContact O-N 3.35Å; V300-G302 PolarHBondContact O-N 3.2Å
301T37.9Very low36.9Very low139 Ų139125.7 Ų125.785%0.85379%0.785SS**  trans-73.6102.5166.142.80000108.6C299C299-T301 PolarHBondContact O-N 3.28Å
302G39.4Very low36.9Very low76 Ų76123.8 Ų123.878%0.78478%0.775SS**  trans-72.5125.9170.200000110.9V300V300-G302 PolarHBondContact O-N 3.2Å
303G30.3Very low36.3Very low71 Ų71129.2 Ų129.273%0.73279%0.794SS**  trans-17986.3175.600000114.6
304S32.3Very low35.9Very low105 Ų105128.8 Ų128.873%0.73479%0.794SS**  trans67.8116.7138.8172.60000122.4
305H35.1Very low35.6Very low174 Ų174134.1 Ų134.181%0.80680%0.799SS**  trans61.8102.1142.9-75.9-88.2000120.9
306S30.1Very low35.1Very low121 Ų121135.7 Ų135.785%0.84681%0.807SS**  trans-153.4105.8135.553.20000109.6
307S33.1Very low34.7Very low103 Ų103130.4 Ų130.472%0.7280%0.803SS**  trans-65.1134.6166.2-00000109.8
308L31.5Very low34.5Very low170 Ų170136.6 Ų136.689%0.8981%0.811SS**  trans-179.2158.4146.7-93.5156.2000108.4
309P35.1Very low34.4Very low115 Ų115135.1 Ų135.175%0.74781%0.806SS**PPolyproline II helix-96.4165.5-122.336.7-35.8000114.8
310A27.9Very low34.2Very low103 Ų103137.7 Ų137.785%0.85181%0.811SS**PPolyproline II helixtrans-58.8130.7179.800000113.1
311N30.5Very low34.2Very low158 Ų158139.5 Ų139.585%0.84581%0.81SS**PPolyproline II helixtrans-99.6120.2159.7-15510.1000107.6
312P41.5Very low33.9Very low91 Ų91138.6 Ų138.659%0.59181%0.807SS**PPolyproline II helixtrans-82.3120.8-179.332.2-27.5000107.7
313H35Very low33.6Very low188 Ų188144 Ų14487%0.8781%0.812SS**  trans16183.3148.1-82.3-52000110.4
314S32Very low33.9Very low117 Ų117147.2 Ų147.282%0.81882%0.816SS**  trans-170.510115039.80000108.4
315R35.8Very low34.2Very low248 Ų248148.3 Ų148.394%0.93682%0.819SS**PPolyproline II helixtrans-71124.8175.6-148.5-177.2-153.6-1775.9108.1
316P34.3Very low34.2Very low121 Ų121145.8 Ų145.879%0.78682%0.818SS**PPolyproline II helixtrans-80139.5169-4.221.3000110.1
317T35.9Very low34.8Very low140 Ų140149 Ų14986%0.85982%0.82SS**PPolyproline II helixtrans-65.9140.4174.6-44.30000110.9
318R34.4Very low35.3Very low238 Ų238149.5 Ų149.590%0.89882%0.82SS**  trans-24126.3176.5-138.1172.8-174.9177.8-0.1115.5
319S33.1Very low35.8Very low105 Ų105147.7 Ų147.773%0.73482%0.819SS**PPolyproline II helixtrans-65.1136.8168.7670000111.1
320L34.9Very low36.4Very low172 Ų172150.1 Ų150.190%0.90183%0.825SS**PPolyproline II helixtrans-82117.2161.1-82.7153.8000107.3
321Q37.5Very low37.3Very low175 Ų175150.9 Ų150.982%0.81882%0.821SS**PPolyproline II helixtrans-69.3143.4169.3-76.9173.4-53.500110.2
322P32.4Very low38Very low119 Ų119151.2 Ų151.277%0.77382%0.822SS**PPolyproline II helixtrans-75.1130.1169.429.2-30.7000110.6
323Q33.8Very low38.1Very low191 Ų191152.9 Ų152.989%0.89383%0.833SS**PPolyproline II helixtrans-70129.8168.1-82.1-163-31.200110.2
324V36.4Very low38.3Very low137 Ų137148.7 Ų148.783%0.8383%0.825SS**PPolyproline II helixtrans-92.4117.9169.7176.50000107.7
325T37Very low38.9Very low129 Ų129158.6 Ų158.679%0.79184%0.844SS**PPolyproline II helixtrans-97.3132.2169.3-4.80000109.3
326P36.8Very low39Very low121 Ų121154.1 Ų154.179%0.78684%0.84SS**PPolyproline II helixtrans-80.2132.6178.4-2.319.7000111.4
327Q42.3Very low39.3Very low188 Ų188155.8 Ų155.888%0.87984%0.842SS**PPolyproline II helixtrans-86.4136.4167-108.5178.4-42.300110.1
328P43.1Very low39.5Very low113 Ų113156.7 Ų156.773%0.73484%0.842SS**PPolyproline II helixtrans-79.3151.917227.6-24.7000111.7
329P43Very low39.8Very low132 Ų132151.9 Ų151.986%0.85784%0.838SS**PPolyproline II helixtrans-76142.6-17630.2-33000112.3
330L47.8Very low40.2Very low167 Ų167154.9 Ų154.987%0.87485%0.845SS**PPolyproline II helixtrans-76.2147.2173.5-76.3160.1000111.1
331P45Very low40.5Very low118 Ų118153.7 Ų153.777%0.76684%0.841SS**PPolyproline II helixtrans-79.6144.217916.8-3.8000112
332L46.5Very low40.8Very low166 Ų166152.2 Ų152.287%0.86984%0.843SS**PPolyproline II helixtrans-69139.9170.8-79151.2000110.7
333P42.6Very low41.4Very low126 Ų126154.8 Ų154.882%0.81885%0.848SS**PPolyproline II helixtrans-77.5142.1163.47.97.4000110.7
334S40.8Very low42Very low100 Ų100151.8 Ų151.870%0.69984%0.844SS**PPolyproline II helixtrans-100.8142.8177.541.70000111.4
335W43.3Very low42.6Very low324 Ų324153.1 Ų153.1100%1.22785%0.846SS**  trans810173.9-56.686.7000117.6

Retrieved 335 of 335 residues in 225.1 ms (Link to these results)