A0A087WST2_MOUSE Loading...

Retinoblastoma binding protein 5, histone lysine methyltransferase complex subunit

AlphaFold DB , UniProt , Accession A0A087WST2, Species MOUSE (Mus musculus, Mouse), Gene Rbbp5, Length 410 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M43.4Very low74.4Confident223 Ų22397.1 Ų97.1100%1.09954%0.542SS*.  0120.20-148175.4-79.500105.2S3M1-S3 PolarHBondContact O-N 3.21Å
2K50.8Low75.2Confident166 Ų16694.9 Ų94.972%0.72253%0.528SS*.  trans-77108.3176.8-52.5-163174.9-176.50106.3L26K2-L26 HydrophobicContact CB-CD2 3.91Å; K2-L26 HydrophobicContact CD-CD2 3.82Å; K2-L26 HydrophobicContact CG-CD2 3.48Å; K2-L26 VanDerWaalsContact CG-CD2 3.48Å
3S62.5Low75.9Confident76 Ų7695.8 Ų95.853%0.53155%0.545SS..  trans-110.296-178.1-58.30000108M1M1-S3 PolarHBondContact O-N 3.21Å
4A71.9Confident76.6Confident44 Ų4498.2 Ų98.236%0.36455%0.546SS..  trans-65.4147.9170.100000109.3V6 V17A4-V6 WeakPolarHBondContact O-CG2 3.44Å; A4-V6 PolarHBondContact O-N 3.2Å; A4-V17 HydrophobicContact CB-CG1 3.53Å
5P81.1Confident77.3Confident15 Ų15100.1 Ų100.110%0.09755%0.549CS..  trans-63.5131.2174.725.9-31.9000109.9L18 V20 V28 A30P5-L18 HydrophobicContact CB-CB 4.43Å; P5-L18 HydrophobicContact CB-CD1 4.25Å; P5-L18 HydrophobicContact CG-CB 4.07Å; P5-L18 PolarHBondContact O-N 2.74Å; P5-V20 HydrophobicContact CG-CG2 4.28Å; P5-V28 HydrophobicContact CB-CG1 4.39Å; P5-V28 HydrophobicContact CG-CB 4.13Å; P5-V28 HydrophobicContact CG-CG1 3.84Å; P5-A30 HydrophobicContact CB-CB 4.31Å
6V86Confident78Confident72 Ų7297.1 Ų97.144%0.43653%0.534SS..EExtended strand (participates in β ladder)trans-120.1126.7-177.6-177.70000109.1A4 L8 H15 V16 V17A4-V6 WeakPolarHBondContact O-CG2 3.44Å; A4-V6 PolarHBondContact O-N 3.2Å; V6-L8 HydrophobicContact CG1-CD2 4.36Å; V6-L8 HydrophobicContact CG1-CG 4.37Å; V6-H15 HydrophobicContact CG1-CB 3.71Å; V6-V16 CarbonylContact C-O 3.6Å; V6-V16 WeakPolarHBondContact CA-O 3.44Å; V6-V17 HydrophobicContact CG2-CG2 4.33Å
7M86.3Confident78.7Confident26 Ų2696.3 Ų96.313%0.12853%0.533CS..EExtended strand (participates in β ladder)trans-87.8130.4167.8-173.2177.772.900109.1H15 V16 L18 F32 I39 T53 Q56M7-H15 CarbonylContact O-C 3.58Å; M7-H15 VanDerWaalsContact O-CA 3.27Å; M7-H15 WeakPolarHBondContact O-CA 3.21Å; M7-V16 HydrophobicContact CE-CB 4.38Å; M7-V16 HydrophobicContact CE-CG2 4.43Å; M7-V16 PolarHBondContact N-O 3.04Å; M7-V16 PolarHBondContact O-N 3.11Å; M7-L18 HydrophobicContact CB-CD2 4.05Å; M7-L18 HydrophobicContact CB-CG 4.34Å; M7-F32 HydrophobicContact CG-CZ 4.42Å; M7-I39 HydrophobicContact SD-CD1 3.59Å; M7-I39 VanDerWaalsContact SD-CD1 3.59Å; M7-T53 HydrophobicContact SD-CG2 4.36Å; M7-Q56 VanDerWaalsContact CE-NE2 3.27Å
8L86.8Confident79.3Confident119 Ų11991.3 Ų91.362%0.62351%0.505SS*.EExtended strand (participates in β ladder)trans-114.7124.8179.3-71166.8000109.7V6 H15V6-L8 HydrophobicContact CG1-CD2 4.36Å; V6-L8 HydrophobicContact CG1-CG 4.37Å; L8-H15 HydrophobicContact CD2-CB 3.52Å
9T84.1Confident79.7Confident51 Ų5189.8 Ų89.831%0.31350%0.5SS..EExtended strand (participates in β ladder)trans-93.9112.1174.6-57.40000108.8S11 D12 S13 K14T9-S11 VanDerWaalsContact C-N 3.33Å; T9-S11 WeakPolarHBondContact CG2-OG 3.34Å; T9-S11 PolarHBondContact O-N 3.42Å; T9-D12 WeakPolarHBondContact CB-OD1 3.43Å; T9-D12 VanDerWaalsContact CG2-OD1 3.22Å; T9-D12 WeakPolarHBondContact CG2-OD1 3.33Å; T9-S13 VanDerWaalsContact O-CA 3.26Å; T9-S13 WeakPolarHBondContact O-CA 3.41Å; T9-S13 PolarHBondContact O-N 2.85Å; T9-K14 PolarHBondContact N-O 3.42Å
10L82.4Confident80.1Confident161 Ų16187.4 Ų87.484%0.84349%0.487SS*.THydrogen-bonded Turntrans-67.1-31.8-173-64.7179.3000113.4
11S83.4Confident80.3Confident115 Ų11586.9 Ų86.980%0.80448%0.483SS*.THydrogen-bonded Turntrans-68.9-34.2-175.953.10000113.8T9T9-S11 VanDerWaalsContact C-N 3.33Å; T9-S11 WeakPolarHBondContact CG2-OG 3.34Å; T9-S11 PolarHBondContact O-N 3.42Å
12D83.6Confident82Confident71 Ų7179.4 Ų79.438%0.3845%0.448SS..THydrogen-bonded Turntrans-120.43.8-177.671.1-8.4000113.5T9 K14T9-D12 WeakPolarHBondContact CB-OD1 3.43Å; T9-D12 VanDerWaalsContact CG2-OD1 3.22Å; T9-D12 WeakPolarHBondContact CG2-OD1 3.33Å; D12-K14 HydrophobicContact CB-CG 4.35Å; D12-K14 PolarHBondContact O-N 2.75Å; D12-K14 WeakPolarHBondContact OD1-CB 3.23Å; D12-K14 PolarHBondContact OD1-N 3.14Å; D12-K14 VanDerWaalsContact OD1-N 3.11Å; D12-K14 VanDerWaalsContact OD2-CD 3.23Å; D12-K14 WeakPolarHBondContact OD2-CD 3.19Å; D12-K14 WeakPolarHBondContact OD2-CE 3.26Å; D12-K14 WeakPolarHBondContact OD2-CG 3.22Å; D12-K14 IonicContact OD2-NZ 2.75Å; D12-K14 PolarHBondContact OD2-NZ 3.38Å
13S83.9Confident83.3Confident106 Ų10678.5 Ų78.574%0.74145%0.451SS*.THydrogen-bonded Turntrans52.922.6-177.1-59.70000113.8T9T9-S13 VanDerWaalsContact O-CA 3.26Å; T9-S13 WeakPolarHBondContact O-CA 3.41Å; T9-S13 PolarHBondContact O-N 2.85Å
14K86.6Confident84.1Confident130 Ų13078 Ų7857%0.56545%0.448SS*.EExtended strand (participates in β ladder)trans-81152174.2-67.2-167.5-162.8116.30110.4T9 D12T9-K14 PolarHBondContact N-O 3.42Å; D12-K14 HydrophobicContact CB-CG 4.35Å; D12-K14 PolarHBondContact O-N 2.75Å; D12-K14 WeakPolarHBondContact OD1-CB 3.23Å; D12-K14 PolarHBondContact OD1-N 3.14Å; D12-K14 VanDerWaalsContact OD1-N 3.11Å; D12-K14 VanDerWaalsContact OD2-CD 3.23Å; D12-K14 WeakPolarHBondContact OD2-CD 3.19Å; D12-K14 WeakPolarHBondContact OD2-CE 3.26Å; D12-K14 WeakPolarHBondContact OD2-CG 3.22Å; D12-K14 IonicContact OD2-NZ 2.75Å; D12-K14 PolarHBondContact OD2-NZ 3.38Å
15H87.1Confident84.4Confident127 Ų12776.6 Ų76.659%0.58843%0.434SS*.EExtended strand (participates in β ladder)trans-125.7142.3177.370.7-87.9000110.3V6 M7 L8V6-H15 HydrophobicContact CG1-CB 3.71Å; M7-H15 CarbonylContact O-C 3.58Å; M7-H15 VanDerWaalsContact O-CA 3.27Å; M7-H15 WeakPolarHBondContact O-CA 3.21Å; L8-H15 HydrophobicContact CD2-CB 3.52Å
16V88.3Confident84.2Confident51 Ų5180 Ų8031%0.30945%0.451SS..EExtended strand (participates in β ladder)trans-124.5124.6174.4-179.60000107.7V6 M7 L18 Q56V6-V16 CarbonylContact C-O 3.6Å; V6-V16 WeakPolarHBondContact CA-O 3.44Å; M7-V16 HydrophobicContact CE-CB 4.38Å; M7-V16 HydrophobicContact CE-CG2 4.43Å; M7-V16 PolarHBondContact N-O 3.04Å; M7-V16 PolarHBondContact O-N 3.11Å; V16-L18 PolarHBondContact O-N 2.91Å; V16-Q56 HydrophobicContact CG1-CG 4.1Å
17V89.1Confident84.3Confident84 Ų8482.3 Ų82.351%0.50946%0.461SS..EExtended strand (participates in β ladder)trans-76.9121.4171.4-177.20000107.4A4 V6A4-V17 HydrophobicContact CB-CG1 3.53Å; V6-V17 HydrophobicContact CG2-CG2 4.33Å
18L90Very high84.5Confident7 Ų782.6 Ų82.64%0.03746%0.464CS..PPolyproline II helixtrans-73.7144-179.1-61176.8000110.2P5 M7 V16 I39 T41 L51 Q56P5-L18 HydrophobicContact CB-CB 4.43Å; P5-L18 HydrophobicContact CB-CD1 4.25Å; P5-L18 HydrophobicContact CG-CB 4.07Å; P5-L18 PolarHBondContact O-N 2.74Å; M7-L18 HydrophobicContact CB-CD2 4.05Å; M7-L18 HydrophobicContact CB-CG 4.34Å; V16-L18 PolarHBondContact O-N 2.91Å; L18-I39 HydrophobicContact CD1-CD1 4.29Å; L18-I39 HydrophobicContact CD1-CG2 3.8Å; L18-I39 HydrophobicContact CD2-CD1 4.07Å; L18-T41 HydrophobicContact CD1-CG2 4.16Å; L18-L51 HydrophobicContact CB-CD1 4.05Å; L18-L51 HydrophobicContact CD2-CD1 4.2Å; L18-L51 HydrophobicContact CG-CD1 4.49Å; L18-Q56 HydrophobicContact CD2-CG 3.86Å
19P87.1Confident84.9Confident62 Ų6278.6 Ų78.640%0.40344%0.444SS..PPolyproline II helixtrans-60.8141.2175.825.9-34.9000111.1L51P19-L51 HydrophobicContact CG-CD1 3.71Å; P19-L51 HydrophobicContact CG-CD2 3.8Å; P19-L51 HydrophobicContact CG-CG 4.42Å
20V88.1Confident85.4Confident41 Ų4178.3 Ų78.325%0.24845%0.447CS..  trans-116.9146.5177.5-171.10000108.3P5 D25 V28P5-V20 HydrophobicContact CG-CG2 4.28Å; V20-D25 HydrophobicContact CG1-CB 3.91Å; V20-V28 HydrophobicContact CG1-CG2 4.07Å
21D83.4Confident86Confident77 Ų7772.3 Ų72.341%0.41242%0.419SS..SBendtrans-63.6-41.2-179.2-167.745.4000111.8K47 L49D21-K47 HydrophobicContact CB-CG 4.26Å; D21-K47 WeakPolarHBondContact OD2-CG 2.97Å; D21-L49 HydrophobicContact CB-CD1 4.15Å; D21-L49 HydrophobicContact CB-CD2 4.37Å
22D80.3Confident86.5Confident67 Ų6771.7 Ų71.736%0.35840%0.402SS..  trans-142.2127.2-178-178.6-20.6000109.8S24 D25 K45D22-S24 PolarHBondContact O-N 2.91Å; D22-S24 VanDerWaalsContact OD1-CB 3.31Å; D22-S24 WeakPolarHBondContact OD1-CB 3.23Å; D22-S24 PolarHBondContact OD1-N 3.03Å; D22-S24 PolarHBondContact OD1-OG 2.91Å; D22-S24 PolarHBondContact OD2-OG 2.82Å; D22-D25 VanDerWaalsContact O-CB 3.26Å; D22-D25 WeakPolarHBondContact O-CB 3.27Å; D22-D25 PolarHBondContact O-N 3.16Å; D22-K45 IonicContact OD2-NZ 2.75Å; D22-K45 PolarHBondContact OD2-NZ 3.47Å
23D77.4Confident87Confident146 Ų14669.5 Ų69.578%0.78139%0.39SS*.THydrogen-bonded Turntrans-61.7-12.1-179.8-69.4-36.3000114D25D23-D25 VanDerWaalsContact C-N 3.32Å
24S79.7Confident87.2Confident66 Ų6667.2 Ų67.246%0.46237%0.365SS..THydrogen-bonded Turntrans-81.1-8.2171.567.70000113.9D22 L26 K45D22-S24 PolarHBondContact O-N 2.91Å; D22-S24 VanDerWaalsContact OD1-CB 3.31Å; D22-S24 WeakPolarHBondContact OD1-CB 3.23Å; D22-S24 PolarHBondContact OD1-N 3.03Å; D22-S24 PolarHBondContact OD1-OG 2.91Å; D22-S24 PolarHBondContact OD2-OG 2.82Å; S24-L26 PolarHBondContact O-N 3.22Å; S24-L26 VanDerWaalsContact O-N 3.07Å; S24-K45 PolarHBondContact OG-NZ 2.87Å
25D78.8Confident87.2Confident15 Ų1567.5 Ų67.58%0.0836%0.363CS..  trans-78.893.9179.6-65.4-26.3000111.2V20 D22 D23 V28 N43 K45V20-D25 HydrophobicContact CG1-CB 3.91Å; D22-D25 VanDerWaalsContact O-CB 3.26Å; D22-D25 WeakPolarHBondContact O-CB 3.27Å; D22-D25 PolarHBondContact O-N 3.16Å; D23-D25 VanDerWaalsContact C-N 3.32Å; D25-V28 HydrophobicContact CB-CG2 4.3Å; D25-N43 HydrophobicContact CB-CB 4.04Å; D25-N43 WeakPolarHBondContact OD2-CB 3.27Å; D25-N43 PolarHBondContact OD2-ND2 3.09Å; D25-K45 WeakPolarHBondContact OD1-CD 3.05Å; D25-K45 VanDerWaalsContact OD1-CE 3.28Å; D25-K45 WeakPolarHBondContact OD1-CE 3.12Å; D25-K45 IonicContact OD1-NZ 3.66Å; D25-K45 PolarHBondContact OD1-NZ 2.87Å
26L76.3Confident87.4Confident85 Ų8562.8 Ų62.845%0.44535%0.348SS..  trans-78.5-19.5-176.1-61.6178.4000114.3K2 S24K2-L26 HydrophobicContact CB-CD2 3.91Å; K2-L26 HydrophobicContact CD-CD2 3.82Å; K2-L26 HydrophobicContact CG-CD2 3.48Å; K2-L26 VanDerWaalsContact CG-CD2 3.48Å; S24-L26 PolarHBondContact O-N 3.22Å; S24-L26 VanDerWaalsContact O-N 3.07Å
27N86.8Confident87.6Confident121 Ų12164.1 Ų64.165%0.64735%0.351SS*.  trans-126.5104.3-176.1-64.5-37.8000108.6A44N27-A44 HydrophobicContact CB-CB 4.37Å; N27-A44 PolarHBondContact O-N 3.29Å
28V92.3Very high87.9Confident32 Ų3262.5 Ų62.519%0.19434%0.336CS..EExtended strand (participates in β ladder)trans-121.3128.7175.8-1760000108.1P5 V20 D25 G42 N43P5-V28 HydrophobicContact CB-CG1 4.39Å; P5-V28 HydrophobicContact CG-CB 4.13Å; P5-V28 HydrophobicContact CG-CG1 3.84Å; V20-V28 HydrophobicContact CG1-CG2 4.07Å; D25-V28 HydrophobicContact CB-CG2 4.3Å; V28-G42 CarbonylContact C-O 3.53Å; V28-G42 WeakPolarHBondContact CA-O 3.26Å; V28-N43 HydrophobicContact CG2-CB 4.38Å
29V94Very high88.2Confident35 Ų3562.3 Ų62.321%0.21234%0.336CS..EExtended strand (participates in β ladder)trans-94.8143.6166.756.40000108.6T41 G42 I74 I77V29-T41 CarbonylContact O-C 3.5Å; V29-T41 VanDerWaalsContact O-CA 3.25Å; V29-T41 WeakPolarHBondContact O-CA 3.24Å; V29-G42 WeakPolarHBondContact CG1-O 3.3Å; V29-G42 PolarHBondContact N-O 3.31Å; V29-G42 PolarHBondContact O-N 2.99Å; V29-I74 HydrophobicContact CG1-CB 4.17Å; V29-I74 HydrophobicContact CG1-CG2 3.62Å; V29-I77 HydrophobicContact CG1-CD1 4.12Å; V29-I77 HydrophobicContact CG1-CG1 4.11Å
30A94.7Very high88.7Confident45 Ų4559.6 Ų59.637%0.37232%0.317SS..EExtended strand (participates in β ladder)trans-134.2145.8174.700000109.9P5 I39 Y40 T41P5-A30 HydrophobicContact CB-CB 4.31Å; A30-I39 HydrophobicContact CB-CG2 4.4Å; A30-Y40 CarbonylContact C-O 3.56Å; A30-Y40 VanDerWaalsContact CA-O 3.25Å; A30-Y40 WeakPolarHBondContact CA-O 3.2Å; A30-T41 HydrophobicContact CB-CG2 3.94Å
31S95.1Very high89Confident35 Ų3557.9 Ų57.925%0.24531%0.307CS..EExtended strand (participates in β ladder)trans-147.9148173.5-165.40000109.9Y40S31-Y40 PolarHBondContact N-O 2.62Å; S31-Y40 PolarHBondContact O-N 2.89Å
32F95Very high89.6Confident102 Ų10254.2 Ų54.245%0.44729%0.288SS..EExtended strand (participates in β ladder)trans-77.3148.1169.7-69.8-79.2000109.6M7 I39 T53 F79M7-F32 HydrophobicContact CG-CZ 4.42Å; F32-I39 HydrophobicContact CD1-CG1 3.67Å; F32-I39 HydrophobicContact CE1-CD1 3.79Å; F32-I39 HydrophobicContact CE1-CG1 3.45Å; F32-I39 VanDerWaalsContact CE1-CG1 3.45Å; F32-I39 HydrophobicContact CZ-CD1 4.37Å; F32-I39 HydrophobicContact CZ-CG1 4.31Å; F32-T53 HydrophobicContact CD1-CG2 4.45Å; F32-T53 HydrophobicContact CE1-CG2 3.82Å; F32-F79 WeakPolarHBondContact O-CD2 3.03Å; F32-F79 WeakPolarHBondContact O-CE2 3.45Å
33D93.2Very high90.2Very high26 Ų2651.3 Ų51.314%0.13927%0.272CS..  trans-67.3171.7164.776.2-35.1000111R35 G36 E37 Y38 Y40 F79D33-R35 PolarHBondContact O-N 3.3Å; D33-R35 VanDerWaalsContact O-N 3.14Å; D33-G36 PolarHBondContact O-N 3.21Å; D33-G36 WeakPolarHBondContact OD1-CA 3.18Å; D33-G36 PolarHBondContact OD1-N 2.73Å; D33-E37 PolarHBondContact OD1-N 3.02Å; D33-Y38 PolarHBondContact N-O 3.41Å; D33-Y38 PolarHBondContact OD1-N 2.94Å; D33-Y40 HydrophobicContact CB-CE2 4.21Å; D33-F79 HydrophobicContact CB-CD1 4.06Å; D33-F79 HydrophobicContact CB-CE1 3.73Å; D33-F79 HydrophobicContact CB-CZ 4.08Å
34R88.3Confident90.9Very high57 Ų5746.2 Ų46.222%0.21525%0.25CS..THydrogen-bonded Turntrans-51.6-40.4-176.8-174.5-174.168.475.5-7.3113R81 G83 D263 E264R34-R81 WeakPolarHBondContact CD-O 3.49Å; R34-G83 VanDerWaalsContact CD-O 3.24Å; R34-G83 WeakPolarHBondContact CD-O 3.48Å; R34-G83 PolarHBondContact NE-O 3.14Å; R34-D263 IonicContact CZ-OD1 2.97Å; R34-D263 IonicContact CZ-OD2 3.29Å; R34-D263 IonicContact NH2-OD1 3.36Å; R34-D263 PolarHBondContact NH2-OD1 3.23Å; R34-D263 VanDerWaalsContact NH2-OD1 3.09Å; R34-D263 IonicContact NH2-OD2 2.75Å; R34-D263 PolarHBondContact NH2-OD2 3.28Å; R34-E264 IonicContact CZ-OE1 2.76Å; R34-E264 IonicContact NH1-OE1 3.49Å; R34-E264 PolarHBondContact NH1-OE1 3.15Å; R34-E264 IonicContact NH1-OE2 3.83Å; R34-E264 IonicContact NH2-OE1 3.58Å
35R87Confident91.5Very high136 Ų13646 Ų4651%0.51324%0.241SC..THydrogen-bonded Turntrans-93.1-5.7-175.7-64.1176.469.1-131.7-12.5113.1D33 E37D33-R35 PolarHBondContact O-N 3.3Å; D33-R35 VanDerWaalsContact O-N 3.14Å; R35-E37 HydrophobicContact CB-CG 4.05Å; R35-E37 IonicContact CZ-OE1 3.87Å; R35-E37 IonicContact CZ-OE2 2.77Å; R35-E37 IonicContact NH1-OE1 3.09Å; R35-E37 PolarHBondContact NH1-OE1 3.21Å; R35-E37 IonicContact NH1-OE2 3.11Å; R35-E37 PolarHBondContact NH1-OE2 3.39Å; R35-E37 IonicContact NH2-OE1 3.14Å; R35-E37 PolarHBondContact NH2-OE1 3.35Å; R35-E37 PolarHBondContact O-N 2.92Å
36G90.3Very high92.2Very high28 Ų2845.2 Ų45.229%0.28924%0.237SC..SBendtrans65.816-173.300000114.2D33 Y38 T53D33-G36 PolarHBondContact O-N 3.21Å; D33-G36 WeakPolarHBondContact OD1-CA 3.18Å; D33-G36 PolarHBondContact OD1-N 2.73Å; G36-Y38 VanDerWaalsContact C-N 3.34Å; G36-T53 VanDerWaalsContact O-CB 3.24Å; G36-T53 WeakPolarHBondContact O-CB 3.3Å; G36-T53 PolarHBondContact O-OG1 2.98Å
37E92Very high93.1Very high80 Ų8042.1 Ų42.137%0.37422%0.22SC..SBendtrans-73.2-30.7176.6-68.6-166.4157.700111.7D33 R35 T53D33-E37 PolarHBondContact OD1-N 3.02Å; R35-E37 HydrophobicContact CB-CG 4.05Å; R35-E37 IonicContact CZ-OE1 3.87Å; R35-E37 IonicContact CZ-OE2 2.77Å; R35-E37 IonicContact NH1-OE1 3.09Å; R35-E37 PolarHBondContact NH1-OE1 3.21Å; R35-E37 IonicContact NH1-OE2 3.11Å; R35-E37 PolarHBondContact NH1-OE2 3.39Å; R35-E37 IonicContact NH2-OE1 3.14Å; R35-E37 PolarHBondContact NH2-OE1 3.35Å; R35-E37 PolarHBondContact O-N 2.92Å; E37-T53 VanDerWaalsContact C-OG1 3.24Å; E37-T53 PolarHBondContact O-N 2.98Å; E37-T53 PolarHBondContact O-OG1 2.77Å
38Y95.7Very high93.5Very high49 Ų4936.4 Ų36.419%0.19219%0.189CC..EExtended strand (participates in β ladder)trans-132.6152.3-177-56.8-81.1000112.6D33 G36 V50 L51 K52 T53 V59 L104D33-Y38 PolarHBondContact N-O 3.41Å; D33-Y38 PolarHBondContact OD1-N 2.94Å; G36-Y38 VanDerWaalsContact C-N 3.34Å; Y38-V50 HydrophobicContact CD1-CG1 4.19Å; Y38-V50 HydrophobicContact CG-CG1 4.23Å; Y38-L51 CarbonylContact C-O 3.52Å; Y38-L51 VanDerWaalsContact CA-O 3.26Å; Y38-L51 WeakPolarHBondContact CA-O 3.46Å; Y38-K52 HydrophobicContact CD1-CG 4.41Å; Y38-K52 HydrophobicContact CE1-CG 4.21Å; Y38-T53 PolarHBondContact N-OG1 3.37Å; Y38-V59 HydrophobicContact CD1-CG2 3.73Å; Y38-V59 HydrophobicContact CE1-CB 4.49Å; Y38-V59 HydrophobicContact CE1-CG1 4.25Å; Y38-V59 HydrophobicContact CE1-CG2 3.79Å; Y38-L104 HydrophobicContact CD1-CD2 4.32Å; Y38-L104 HydrophobicContact CD2-CD1 4.28Å; Y38-L104 HydrophobicContact CE1-CD2 4.07Å; Y38-L104 HydrophobicContact CE2-CD1 3.76Å; Y38-L104 HydrophobicContact CE2-CD2 4.31Å
39I96.4Very high93.7Very high4 Ų435.4 Ų35.42%0.02118%0.183CC..EExtended strand (participates in β ladder)trans-112.1119.8174-56.7166.5000108.3M7 L18 A30 F32 T41 L51 T53M7-I39 HydrophobicContact SD-CD1 3.59Å; M7-I39 VanDerWaalsContact SD-CD1 3.59Å; L18-I39 HydrophobicContact CD1-CD1 4.29Å; L18-I39 HydrophobicContact CD1-CG2 3.8Å; L18-I39 HydrophobicContact CD2-CD1 4.07Å; A30-I39 HydrophobicContact CB-CG2 4.4Å; F32-I39 HydrophobicContact CD1-CG1 3.67Å; F32-I39 HydrophobicContact CE1-CD1 3.79Å; F32-I39 HydrophobicContact CE1-CG1 3.45Å; F32-I39 VanDerWaalsContact CE1-CG1 3.45Å; F32-I39 HydrophobicContact CZ-CD1 4.37Å; F32-I39 HydrophobicContact CZ-CG1 4.31Å; I39-T41 HydrophobicContact CG2-CG2 4.01Å; I39-L51 HydrophobicContact CB-CB 4.4Å; I39-L51 PolarHBondContact N-O 2.88Å; I39-L51 PolarHBondContact O-N 2.8Å; I39-T53 HydrophobicContact CD1-CG2 4.47Å
40Y97.1Very high93.8Very high4 Ų433.7 Ų33.72%0.01617%0.173CC..EExtended strand (participates in β ladder)trans-96.6120.2175.1-76.7-118.7000108.7A30 S31 D33 I48 L49 V50 F79 F86 I103A30-Y40 CarbonylContact C-O 3.56Å; A30-Y40 VanDerWaalsContact CA-O 3.25Å; A30-Y40 WeakPolarHBondContact CA-O 3.2Å; S31-Y40 PolarHBondContact N-O 2.62Å; S31-Y40 PolarHBondContact O-N 2.89Å; D33-Y40 HydrophobicContact CB-CE2 4.21Å; Y40-I48 HydrophobicContact CD1-CG2 4.27Å; Y40-L49 WeakPolarHBondContact CA-O 3.36Å; Y40-V50 HydrophobicContact CD1-CG2 3.76Å; Y40-V50 HydrophobicContact CD2-CG1 4.02Å; Y40-V50 HydrophobicContact CE1-CG1 4.31Å; Y40-V50 HydrophobicContact CE1-CG2 3.52Å; Y40-V50 HydrophobicContact CE2-CG1 3.61Å; Y40-V50 HydrophobicContact CE2-CG2 4.33Å; Y40-V50 HydrophobicContact CG-CG2 4.25Å; Y40-F79 AromaticContact CD1-CZ 3.96Å; Y40-F79 HydrophobicContact CD1-CZ 3.96Å; Y40-F79 HydrophobicContact CD2-CE1 4.26Å; Y40-F79 HydrophobicContact CD2-CE2 4.23Å; Y40-F79 AromaticContact CD2-CZ 3.44Å; Y40-F79 HydrophobicContact CD2-CZ 3.44Å; Y40-F79 VanDerWaalsContact CD2-CZ 3.44Å; Y40-F79 HydrophobicContact CE1-CZ 4.25Å; Y40-F79 HydrophobicContact CE2-CE1 4.14Å; Y40-F79 AromaticContact CE2-CZ 3.76Å; Y40-F79 HydrophobicContact CE2-CZ 3.76Å; Y40-F79 HydrophobicContact CG-CE2 4.21Å; Y40-F79 AromaticContact CG-CZ 3.56Å; Y40-F79 HydrophobicContact CG-CZ 3.56Å; Y40-F86 HydrophobicContact CD1-CE2 4.23Å; Y40-F86 HydrophobicContact CD1-CZ 4.19Å; Y40-F86 HydrophobicContact CE1-CE1 4.08Å; Y40-F86 HydrophobicContact CE1-CE2 4.36Å; Y40-F86 AromaticContact CE1-CZ 3.88Å; Y40-F86 HydrophobicContact CE1-CZ 3.88Å; Y40-I103 HydrophobicContact CE1-CD1 4.01Å; Y40-I103 HydrophobicContact CE1-CG2 4.49Å
41T95.9Very high93.9Very high5 Ų531.6 Ų31.63%0.03116%0.155CC..EExtended strand (participates in β ladder)trans-113.3143.6174.974.20000110.4L18 V29 A30 I39 I48 L49 L51L18-T41 HydrophobicContact CD1-CG2 4.16Å; V29-T41 CarbonylContact O-C 3.5Å; V29-T41 VanDerWaalsContact O-CA 3.25Å; V29-T41 WeakPolarHBondContact O-CA 3.24Å; A30-T41 HydrophobicContact CB-CG2 3.94Å; I39-T41 HydrophobicContact CG2-CG2 4.01Å; T41-I48 CarbonylContact O-C 3.5Å; T41-I48 WeakPolarHBondContact O-CA 3.4Å; T41-L49 PolarHBondContact N-O 2.95Å; T41-L49 PolarHBondContact O-N 2.91Å; T41-L49 WeakPolarHBondContact OG1-CB 3.46Å; T41-L51 HydrophobicContact CG2-CD1 4.29Å
42G95.5Very high93.9Very high1 Ų133.6 Ų33.61%0.0116%0.159CC..EExtended strand (participates in β ladder)trans-138.1129.1-179.600000111.9V28 V29 K47V28-G42 CarbonylContact C-O 3.53Å; V28-G42 WeakPolarHBondContact CA-O 3.26Å; V29-G42 WeakPolarHBondContact CG1-O 3.3Å; V29-G42 PolarHBondContact N-O 3.31Å; V29-G42 PolarHBondContact O-N 2.99Å; G42-K47 WeakPolarHBondContact CA-O 3.14Å
43N93.7Very high93.8Very high5 Ų530.2 Ų30.23%0.02715%0.147CC..EExtended strand (participates in β ladder)trans-95.6175.1-177.371.29.8000113.3D25 V28 K45 G46 K47 I74D25-N43 HydrophobicContact CB-CB 4.04Å; D25-N43 WeakPolarHBondContact OD2-CB 3.27Å; D25-N43 PolarHBondContact OD2-ND2 3.09Å; V28-N43 HydrophobicContact CG2-CB 4.38Å; N43-K45 PolarHBondContact O-N 2.88Å; N43-K45 VanDerWaalsContact OD1-C 3.23Å; N43-K45 WeakPolarHBondContact OD1-CA 3.29Å; N43-K45 PolarHBondContact OD1-N 3.19Å; N43-G46 PolarHBondContact O-N 3.24Å; N43-G46 PolarHBondContact OD1-N 3.41Å; N43-K47 PolarHBondContact N-O 2.92Å; N43-K47 WeakPolarHBondContact ND2-CB 3.13Å; N43-K47 PolarHBondContact OD1-N 3.41Å; N43-K47 PolarHBondContact OD1-O 2.77Å; N43-I74 WeakPolarHBondContact O-CG1 3.41Å; N43-I74 PolarHBondContact O-N 3.05Å
44A92.1Very high93.7Very high40 Ų4034 Ų3433%0.33117%0.167SC..THydrogen-bonded Turntrans-69.5-7174.800000114.7N27 A73N27-A44 HydrophobicContact CB-CB 4.37Å; N27-A44 PolarHBondContact O-N 3.29Å; A44-A73 HydrophobicContact CB-CB 4.28Å; A44-A73 WeakPolarHBondContact O-CA 3.21Å; A44-A73 VanDerWaalsContact O-CB 3.31Å; A44-A73 WeakPolarHBondContact O-CB 3.35Å
45K91.9Very high93.8Very high60 Ų6033.3 Ų33.326%0.26117%0.172SC..THydrogen-bonded Turntrans-103.18.1177.3-59.9176.6-177.2134.20112.7D22 S24 D25 N43 K47 R63 T71 T72D22-K45 IonicContact OD2-NZ 2.75Å; D22-K45 PolarHBondContact OD2-NZ 3.47Å; S24-K45 PolarHBondContact OG-NZ 2.87Å; D25-K45 WeakPolarHBondContact OD1-CD 3.05Å; D25-K45 VanDerWaalsContact OD1-CE 3.28Å; D25-K45 WeakPolarHBondContact OD1-CE 3.12Å; D25-K45 IonicContact OD1-NZ 3.66Å; D25-K45 PolarHBondContact OD1-NZ 2.87Å; N43-K45 PolarHBondContact O-N 2.88Å; N43-K45 VanDerWaalsContact OD1-C 3.23Å; N43-K45 WeakPolarHBondContact OD1-CA 3.29Å; N43-K45 PolarHBondContact OD1-N 3.19Å; K45-K47 VanDerWaalsContact C-N 3.31Å; K45-K47 PolarHBondContact O-N 3.17Å; K45-R63 PolarHBondContact O-NH1 3.02Å; K45-T71 WeakPolarHBondContact O-CB 3.46Å; K45-T71 VanDerWaalsContact O-CG2 3.31Å; K45-T71 WeakPolarHBondContact O-CG2 3.26Å; K45-T72 CarbonylContact C-O 3.57Å
46G92.9Very high94.1Very high0 Ų029 Ų290%016%0.157CC..SBendtrans76.411.717700000115.3N43 R63 V64 T72N43-G46 PolarHBondContact O-N 3.24Å; N43-G46 PolarHBondContact OD1-N 3.41Å; G46-R63 WeakPolarHBondContact O-CA 3.25Å; G46-V64 PolarHBondContact O-N 3.34Å; G46-T72 WeakPolarHBondContact CA-O 3.31Å; G46-T72 PolarHBondContact N-O 3.05Å
47K94.4Very high94.2Very high20 Ų2032.1 Ų32.19%0.08717%0.167CC..EExtended strand (participates in β ladder)trans-80.6133.5169-170.884.9174.4-179.80108.7D21 G42 N43 K45 L49 R63 D109D21-K47 HydrophobicContact CB-CG 4.26Å; D21-K47 WeakPolarHBondContact OD2-CG 2.97Å; G42-K47 WeakPolarHBondContact CA-O 3.14Å; N43-K47 PolarHBondContact N-O 2.92Å; N43-K47 WeakPolarHBondContact ND2-CB 3.13Å; N43-K47 PolarHBondContact OD1-N 3.41Å; N43-K47 PolarHBondContact OD1-O 2.77Å; K45-K47 VanDerWaalsContact C-N 3.31Å; K45-K47 PolarHBondContact O-N 3.17Å; K47-L49 HydrophobicContact CG-CD2 4.12Å; K47-R63 HydrophobicContact CD-CB 4.4Å; K47-D109 IonicContact NZ-OD1 3.31Å; K47-D109 PolarHBondContact NZ-OD1 3.47Å
48I96.1Very high94.4Very high0 Ų030.8 Ų30.80%016%0.162CC..EExtended strand (participates in β ladder)trans-109.8133.9171.2-55.9-62000108.4Y40 T41 S61 F62 V64 I74 I77 I88Y40-I48 HydrophobicContact CD1-CG2 4.27Å; T41-I48 CarbonylContact O-C 3.5Å; T41-I48 WeakPolarHBondContact O-CA 3.4Å; I48-S61 WeakPolarHBondContact O-CA 3.25Å; I48-F62 HydrophobicContact CB-CD1 3.93Å; I48-F62 HydrophobicContact CB-CE1 3.56Å; I48-F62 HydrophobicContact CB-CE2 4.27Å; I48-F62 HydrophobicContact CB-CG 4.42Å; I48-F62 HydrophobicContact CB-CZ 3.76Å; I48-F62 HydrophobicContact CG1-CE1 4.06Å; I48-F62 HydrophobicContact CG1-CE2 3.97Å; I48-F62 HydrophobicContact CG1-CZ 3.69Å; I48-F62 HydrophobicContact CG2-CD1 4.2Å; I48-F62 HydrophobicContact CG2-CE1 3.52Å; I48-F62 HydrophobicContact CG2-CZ 3.94Å; I48-F62 PolarHBondContact N-O 2.82Å; I48-F62 PolarHBondContact O-N 3.5Å; I48-V64 HydrophobicContact CG1-CG2 4.09Å; I48-I74 HydrophobicContact CD1-CD1 4.04Å; I48-I74 HydrophobicContact CD1-CG1 3.78Å; I48-I74 HydrophobicContact CD1-CG2 4.39Å; I48-I77 HydrophobicContact CD1-CD1 4.11Å; I48-I88 HydrophobicContact CD1-CD1 4.13Å; I48-I88 HydrophobicContact CG1-CD1 4.08Å
49L96Very high94.5Very high11 Ų1130.6 Ų30.66%0.05817%0.166CC..EExtended strand (participates in β ladder)trans-116.6137.2169.6-51.4177000108.8D21 Y40 T41 K47 L58D21-L49 HydrophobicContact CB-CD1 4.15Å; D21-L49 HydrophobicContact CB-CD2 4.37Å; Y40-L49 WeakPolarHBondContact CA-O 3.36Å; T41-L49 PolarHBondContact N-O 2.95Å; T41-L49 PolarHBondContact O-N 2.91Å; T41-L49 WeakPolarHBondContact OG1-CB 3.46Å; K47-L49 HydrophobicContact CG-CD2 4.12Å; L49-L58 HydrophobicContact CB-CD1 3.82Å; L49-L58 HydrophobicContact CD2-CD1 3.97Å; L49-L58 HydrophobicContact CG-CD1 4.38Å
50V97Very high94.5Very high0 Ų030.4 Ų30.40%017%0.165CC..EExtended strand (participates in β ladder)trans-111.4115.7173.5-171.70000107.3Y38 Y40 V59 A60 I103 L104Y38-V50 HydrophobicContact CD1-CG1 4.19Å; Y38-V50 HydrophobicContact CG-CG1 4.23Å; Y40-V50 HydrophobicContact CD1-CG2 3.76Å; Y40-V50 HydrophobicContact CD2-CG1 4.02Å; Y40-V50 HydrophobicContact CE1-CG1 4.31Å; Y40-V50 HydrophobicContact CE1-CG2 3.52Å; Y40-V50 HydrophobicContact CE2-CG1 3.61Å; Y40-V50 HydrophobicContact CE2-CG2 4.33Å; Y40-V50 HydrophobicContact CG-CG2 4.25Å; V50-V59 HydrophobicContact CB-CG2 3.94Å; V50-V59 HydrophobicContact CG1-CG2 3.63Å; V50-V59 VanDerWaalsContact O-CG2 3.27Å; V50-V59 WeakPolarHBondContact O-CG2 3.33Å; V50-V59 PolarHBondContact O-N 2.93Å; V50-A60 HydrophobicContact CB-CB 3.96Å; V50-A60 HydrophobicContact CG2-CB 3.99Å; V50-A60 PolarHBondContact N-O 2.92Å; V50-A60 PolarHBondContact O-N 3.31Å; V50-I103 HydrophobicContact CG2-CG2 3.85Å; V50-L104 HydrophobicContact CG1-CD2 4.19Å
51L96Very high94.5Very high1 Ų130.3 Ų30.31%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-109.8145.2-178.3-53175.8000109.2L18 P19 Y38 I39 T41 D57 L58L18-L51 HydrophobicContact CB-CD1 4.05Å; L18-L51 HydrophobicContact CD2-CD1 4.2Å; L18-L51 HydrophobicContact CG-CD1 4.49Å; P19-L51 HydrophobicContact CG-CD1 3.71Å; P19-L51 HydrophobicContact CG-CD2 3.8Å; P19-L51 HydrophobicContact CG-CG 4.42Å; Y38-L51 CarbonylContact C-O 3.52Å; Y38-L51 VanDerWaalsContact CA-O 3.26Å; Y38-L51 WeakPolarHBondContact CA-O 3.46Å; I39-L51 HydrophobicContact CB-CB 4.4Å; I39-L51 PolarHBondContact N-O 2.88Å; I39-L51 PolarHBondContact O-N 2.8Å; T41-L51 HydrophobicContact CG2-CD1 4.29Å; L51-D57 CarbonylContact C-O 3.56Å; L51-D57 VanDerWaalsContact CA-O 3.3Å; L51-D57 WeakPolarHBondContact CA-O 3.4Å; L51-L58 HydrophobicContact CD2-CB 4.14Å; L51-L58 HydrophobicContact CD2-CD1 3.81Å
52K95.4Very high94.5Very high77 Ų7730.2 Ų30.234%0.33516%0.164SC..EExtended strand (participates in β ladder)trans-72.3134.6169.4-151.4-176.1172.9-136.70110.1Y38 D54 Q56 D57 V59Y38-K52 HydrophobicContact CD1-CG 4.41Å; Y38-K52 HydrophobicContact CE1-CG 4.21Å; K52-D54 WeakPolarHBondContact CD-OD1 3.39Å; K52-D54 VanDerWaalsContact CE-OD1 3.23Å; K52-D54 WeakPolarHBondContact CE-OD1 3.38Å; K52-D54 WeakPolarHBondContact CG-OD1 3.26Å; K52-D54 IonicContact NZ-OD1 2.74Å; K52-D54 PolarHBondContact NZ-OD1 3.05Å; K52-D54 VanDerWaalsContact NZ-OD1 3.14Å; K52-D54 IonicContact NZ-OD2 2.7Å; K52-D54 PolarHBondContact NZ-OD2 2.78Å; K52-D54 PolarHBondContact O-N 2.86Å; K52-Q56 WeakPolarHBondContact O-CA 3.18Å; K52-Q56 PolarHBondContact O-N 2.87Å; K52-D57 PolarHBondContact N-O 2.9Å; K52-V59 HydrophobicContact CB-CG1 4.28Å
53T92.9Very high94.4Very high31 Ų3135.3 Ų35.319%0.1918%0.183CC..THydrogen-bonded Turntrans-62.1-40.8-173.3-65.30000113.2M7 F32 G36 E37 Y38 I39 Q56M7-T53 HydrophobicContact SD-CG2 4.36Å; F32-T53 HydrophobicContact CD1-CG2 4.45Å; F32-T53 HydrophobicContact CE1-CG2 3.82Å; G36-T53 VanDerWaalsContact O-CB 3.24Å; G36-T53 WeakPolarHBondContact O-CB 3.3Å; G36-T53 PolarHBondContact O-OG1 2.98Å; E37-T53 VanDerWaalsContact C-OG1 3.24Å; E37-T53 PolarHBondContact O-N 2.98Å; E37-T53 PolarHBondContact O-OG1 2.77Å; Y38-T53 PolarHBondContact N-OG1 3.37Å; I39-T53 HydrophobicContact CD1-CG2 4.47Å; T53-Q56 PolarHBondContact O-NE2 3Å
54D90.5Very high94.4Very high104 Ų10435.2 Ų35.256%0.55618%0.183SC*.THydrogen-bonded Turntrans-76.2-49.4-175.358.5-16.2000113.2K52 Q56K52-D54 WeakPolarHBondContact CD-OD1 3.39Å; K52-D54 VanDerWaalsContact CE-OD1 3.23Å; K52-D54 WeakPolarHBondContact CE-OD1 3.38Å; K52-D54 WeakPolarHBondContact CG-OD1 3.26Å; K52-D54 IonicContact NZ-OD1 2.74Å; K52-D54 PolarHBondContact NZ-OD1 3.05Å; K52-D54 VanDerWaalsContact NZ-OD1 3.14Å; K52-D54 IonicContact NZ-OD2 2.7Å; K52-D54 PolarHBondContact NZ-OD2 2.78Å; K52-D54 PolarHBondContact O-N 2.86Å; D54-Q56 PolarHBondContact O-NE2 2.7Å
55S91.9Very high94.2Very high44 Ų4437.7 Ų37.731%0.30819%0.194SC..THydrogen-bonded Turntrans-98.5-11.7-174.466.80000115D57S55-D57 WeakPolarHBondContact CB-OD2 3.16Å; S55-D57 PolarHBondContact O-N 3.11Å; S55-D57 VanDerWaalsContact O-N 3.16Å; S55-D57 WeakPolarHBondContact OG-CB 3.06Å; S55-D57 PolarHBondContact OG-N 2.64Å; S55-D57 PolarHBondContact OG-OD2 2.85Å
56Q91.8Very high93.8Very high46 Ų4636.4 Ų36.422%0.21519%0.191CC..  trans57.919-171.6-55.281.249.900113.9M7 V16 L18 K52 T53 D54M7-Q56 VanDerWaalsContact CE-NE2 3.27Å; V16-Q56 HydrophobicContact CG1-CG 4.1Å; L18-Q56 HydrophobicContact CD2-CG 3.86Å; K52-Q56 WeakPolarHBondContact O-CA 3.18Å; K52-Q56 PolarHBondContact O-N 2.87Å; T53-Q56 PolarHBondContact O-NE2 3Å; D54-Q56 PolarHBondContact O-NE2 2.7Å
57D94.1Very high93Very high93 Ų9339.8 Ų39.850%0.49723%0.226SC..  trans-69.5135.8176.2-69.2-43.4000110.7L51 K52 S55 V59L51-D57 CarbonylContact C-O 3.56Å; L51-D57 VanDerWaalsContact CA-O 3.3Å; L51-D57 WeakPolarHBondContact CA-O 3.4Å; K52-D57 PolarHBondContact N-O 2.9Å; S55-D57 WeakPolarHBondContact CB-OD2 3.16Å; S55-D57 PolarHBondContact O-N 3.11Å; S55-D57 VanDerWaalsContact O-N 3.16Å; S55-D57 WeakPolarHBondContact OG-CB 3.06Å; S55-D57 PolarHBondContact OG-N 2.64Å; S55-D57 PolarHBondContact OG-OD2 2.85Å; D57-V59 PolarHBondContact O-N 3.07Å
58L95.6Very high92.1Very high51 Ų5143.1 Ų43.127%0.26725%0.248SC..EExtended strand (participates in β ladder)trans-68.4112.6172.7-176.867.6000110L49 L51 A60 R108L49-L58 HydrophobicContact CB-CD1 3.82Å; L49-L58 HydrophobicContact CD2-CD1 3.97Å; L49-L58 HydrophobicContact CG-CD1 4.38Å; L51-L58 HydrophobicContact CD2-CB 4.14Å; L51-L58 HydrophobicContact CD2-CD1 3.81Å; L58-A60 VanDerWaalsContact CD1-O 3.29Å; L58-A60 WeakPolarHBondContact CD1-O 3.48Å; L58-R108 HydrophobicContact CG-CG 4.47Å; L58-R108 PolarHBondContact O-NE 3.04Å; L58-R108 PolarHBondContact O-NH2 2.83Å
59V96.4Very high91.3Very high46 Ų4649 Ų4928%0.27929%0.289SS..EExtended strand (participates in β ladder)trans-98.7-36.3178.9-63.40000112.2Y38 V50 K52 D57 L104Y38-V59 HydrophobicContact CD1-CG2 3.73Å; Y38-V59 HydrophobicContact CE1-CB 4.49Å; Y38-V59 HydrophobicContact CE1-CG1 4.25Å; Y38-V59 HydrophobicContact CE1-CG2 3.79Å; V50-V59 HydrophobicContact CB-CG2 3.94Å; V50-V59 HydrophobicContact CG1-CG2 3.63Å; V50-V59 VanDerWaalsContact O-CG2 3.27Å; V50-V59 WeakPolarHBondContact O-CG2 3.33Å; V50-V59 PolarHBondContact O-N 2.93Å; K52-V59 HydrophobicContact CB-CG1 4.28Å; D57-V59 PolarHBondContact O-N 3.07Å; V59-L104 HydrophobicContact CG2-CD2 3.89Å
60A96.8Very high90.9Very high0 Ų054 Ų540%032%0.316CS..EExtended strand (participates in β ladder)trans-144.8154.6177.100000111.1V50 L58 I103 G107V50-A60 HydrophobicContact CB-CB 3.96Å; V50-A60 HydrophobicContact CG2-CB 3.99Å; V50-A60 PolarHBondContact N-O 2.92Å; V50-A60 PolarHBondContact O-N 3.31Å; L58-A60 VanDerWaalsContact CD1-O 3.29Å; L58-A60 WeakPolarHBondContact CD1-O 3.48Å; A60-I103 HydrophobicContact CB-CG2 3.95Å; A60-G107 VanDerWaalsContact CA-O 3.26Å; A60-G107 WeakPolarHBondContact CA-O 3.47Å; A60-G107 VanDerWaalsContact CB-O 3.3Å; A60-G107 WeakPolarHBondContact CB-O 3.33Å
61S96.6Very high90.6Very high2 Ų257.7 Ų57.71%0.01434%0.339CS..EExtended strand (participates in β ladder)trans-152.3142.8175.1580000109.4I48 G107 D109 G110I48-S61 WeakPolarHBondContact O-CA 3.25Å; S61-G107 PolarHBondContact N-O 2.87Å; S61-G107 VanDerWaalsContact N-O 3.15Å; S61-D109 CarbonylContact O-C 3.58Å; S61-D109 WeakPolarHBondContact O-CA 3.19Å; S61-D109 PolarHBondContact O-N 3.22Å; S61-D109 PolarHBondContact OG-N 3.3Å; S61-D109 PolarHBondContact OG-OD1 2.93Å; S61-D109 VanDerWaalsContact OG-OD1 3.14Å; S61-G110 PolarHBondContact O-N 2.87Å
62F95.9Very high90.5Very high3 Ų358.1 Ų58.11%0.01334%0.341CS..EExtended strand (participates in β ladder)trans-155164.6175.267.6-81.8000110.6I48 V64 I88 Y98 I103 G110 P112I48-F62 HydrophobicContact CB-CD1 3.93Å; I48-F62 HydrophobicContact CB-CE1 3.56Å; I48-F62 HydrophobicContact CB-CE2 4.27Å; I48-F62 HydrophobicContact CB-CG 4.42Å; I48-F62 HydrophobicContact CB-CZ 3.76Å; I48-F62 HydrophobicContact CG1-CE1 4.06Å; I48-F62 HydrophobicContact CG1-CE2 3.97Å; I48-F62 HydrophobicContact CG1-CZ 3.69Å; I48-F62 HydrophobicContact CG2-CD1 4.2Å; I48-F62 HydrophobicContact CG2-CE1 3.52Å; I48-F62 HydrophobicContact CG2-CZ 3.94Å; I48-F62 PolarHBondContact N-O 2.82Å; I48-F62 PolarHBondContact O-N 3.5Å; F62-V64 HydrophobicContact CE2-CG2 4.06Å; F62-I88 HydrophobicContact CE2-CD1 4.47Å; F62-I88 HydrophobicContact CZ-CD1 4.12Å; F62-Y98 HydrophobicContact CE2-CE1 4.33Å; F62-Y98 HydrophobicContact CE2-CE2 4.49Å; F62-I103 HydrophobicContact CD1-CG2 4.01Å; F62-I103 HydrophobicContact CE1-CD1 3.9Å; F62-I103 HydrophobicContact CE1-CG1 4.2Å; F62-I103 HydrophobicContact CE1-CG2 3.86Å; F62-I103 HydrophobicContact CZ-CD1 4.13Å; F62-G110 WeakPolarHBondContact CB-O 3.02Å; F62-P112 VanDerWaalsContact CB-CD 3.48Å; F62-P112 HydrophobicContact CB-CG 3.92Å; F62-P112 HydrophobicContact CD1-CG 3.91Å; F62-P112 HydrophobicContact CD2-CG 3.5Å; F62-P112 VanDerWaalsContact CD2-CG 3.5Å; F62-P112 HydrophobicContact CE1-CG 4.25Å; F62-P112 HydrophobicContact CE2-CG 3.87Å; F62-P112 HydrophobicContact CG-CG 3.52Å; F62-P112 HydrophobicContact CZ-CG 4.23Å
63R94.4Very high90.5Very high107 Ų10756 Ų5640%0.40434%0.338SS..EExtended strand (participates in β ladder)trans-113131172.8-172.6177.6-66.7-92.41.1109K45 G46 K47 T65K45-R63 PolarHBondContact O-NH1 3.02Å; G46-R63 WeakPolarHBondContact O-CA 3.25Å; K47-R63 HydrophobicContact CD-CB 4.4Å; R63-T65 PolarHBondContact O-N 3.12Å
64V94.3Very high90.6Very high4 Ų455.2 Ų55.22%0.02433%0.333CS..  trans-65.3121.4178.9175.40000110.3G46 I48 F62 T72 I74 I88 R96G46-V64 PolarHBondContact O-N 3.34Å; I48-V64 HydrophobicContact CG1-CG2 4.09Å; F62-V64 HydrophobicContact CE2-CG2 4.06Å; V64-T72 HydrophobicContact CG1-CG2 4.28Å; V64-I74 HydrophobicContact CG2-CD1 3.92Å; V64-I88 HydrophobicContact CG2-CD1 4.22Å; V64-R96 VanDerWaalsContact CG1-NE 3.28Å
65T87.4Confident90.8Very high91 Ų9154.6 Ų54.656%0.55833%0.325SS*.  trans-78.3127.5178.2-52.40000111.4R63 R96R63-T65 PolarHBondContact O-N 3.12Å; T65-R96 PolarHBondContact O-NE 2.81Å; T65-R96 PolarHBondContact O-NH2 2.99Å
66T82.8Confident91.1Very high33 Ų3353.3 Ų53.320%0.20232%0.316CS..  trans-98.33.817965.80000113.6T68 N70 T72T66-T68 PolarHBondContact O-N 2.66Å; T66-T68 PolarHBondContact OG1-N 3.41Å; T66-T68 PolarHBondContact OG1-O 2.71Å; T66-T68 PolarHBondContact OG1-OG1 2.69Å; T66-N70 VanDerWaalsContact CG2-O 3.27Å; T66-N70 WeakPolarHBondContact CG2-O 3.39Å; T66-N70 PolarHBondContact OG1-O 3.48Å; T66-T72 HydrophobicContact CG2-CG2 3.57Å
67G76.3Confident91.3Very high71 Ų7151.4 Ų51.473%0.73231%0.307SS*.SBendtrans76.8-6-170.700000113.6
68T77.1Confident91.5Very high90 Ų9049.7 Ų49.755%0.55230%0.296SS*.SBendtrans-127.5174.5169.865.30000108.9T66 N70T66-T68 PolarHBondContact O-N 2.66Å; T66-T68 PolarHBondContact OG1-N 3.41Å; T66-T68 PolarHBondContact OG1-O 2.71Å; T66-T68 PolarHBondContact OG1-OG1 2.69Å; T68-N70 PolarHBondContact O-N 2.87Å; T68-N70 PolarHBondContact OG1-N 2.97Å
69S78.9Confident91.5Very high123 Ų12348.6 Ų48.686%0.8629%0.289SS*.SBendtrans-70.3-3.4173.256.10000113.8
70N86.7Confident91.4Very high117 Ų11746.5 Ų46.563%0.62628%0.277SS*.  trans-78148.7-179.9-74.4-30.3000112.5T66 T68T66-N70 VanDerWaalsContact CG2-O 3.27Å; T66-N70 WeakPolarHBondContact CG2-O 3.39Å; T66-N70 PolarHBondContact OG1-O 3.48Å; T68-N70 PolarHBondContact O-N 2.87Å; T68-N70 PolarHBondContact OG1-N 2.97Å
71T91Very high90.9Very high77 Ų7754.1 Ų54.147%0.47231%0.306SS..  trans-90.4158.8174.257.90000111.4K45K45-T71 WeakPolarHBondContact O-CB 3.46Å; K45-T71 VanDerWaalsContact O-CG2 3.31Å; K45-T71 WeakPolarHBondContact O-CG2 3.26Å
72T94Very high90.4Very high10 Ų1058.2 Ų58.26%0.06132%0.323CS..  trans-131.9140.4175.9-174.50000109.9K45 G46 V64 T66 T90 A91 D92K45-T72 CarbonylContact C-O 3.57Å; G46-T72 WeakPolarHBondContact CA-O 3.31Å; G46-T72 PolarHBondContact N-O 3.05Å; V64-T72 HydrophobicContact CG1-CG2 4.28Å; T66-T72 HydrophobicContact CG2-CG2 3.57Å; T72-T90 HydrophobicContact CG2-CG2 3.88Å; T72-A91 PolarHBondContact OG1-N 3.05Å; T72-D92 PolarHBondContact OG1-N 3.48Å; T72-D92 VanDerWaalsContact OG1-N 3.13Å
73A94.3Very high89.9Confident32 Ų3259.2 Ų59.226%0.26433%0.334SS..  trans-73.2134.2179.700000111.2A44 T90 A91A44-A73 HydrophobicContact CB-CB 4.28Å; A44-A73 WeakPolarHBondContact O-CA 3.21Å; A44-A73 VanDerWaalsContact O-CB 3.31Å; A44-A73 WeakPolarHBondContact O-CB 3.35Å; A73-T90 CarbonylContact O-C 3.37Å; A73-T90 WeakPolarHBondContact O-CA 3.45Å; A73-A91 HydrophobicContact CB-CB 4.02Å; A73-A91 PolarHBondContact O-N 2.89Å
74I96.2Very high89.7Confident15 Ų1555.4 Ų55.48%0.07732%0.324CS..EExtended strand (participates in β ladder)trans-78.3125.5171.7-48.9-52.4000108.6V29 N43 I48 V64 I77 I88 T90V29-I74 HydrophobicContact CG1-CB 4.17Å; V29-I74 HydrophobicContact CG1-CG2 3.62Å; N43-I74 WeakPolarHBondContact O-CG1 3.41Å; N43-I74 PolarHBondContact O-N 3.05Å; I48-I74 HydrophobicContact CD1-CD1 4.04Å; I48-I74 HydrophobicContact CD1-CG1 3.78Å; I48-I74 HydrophobicContact CD1-CG2 4.39Å; V64-I74 HydrophobicContact CG2-CD1 3.92Å; I74-I77 HydrophobicContact CG2-CD1 4.33Å; I74-I77 HydrophobicContact CG2-CG1 3.91Å; I74-I88 HydrophobicContact CD1-CG2 3.78Å; I74-I88 HydrophobicContact CG2-CG2 3.77Å; I74-T90 HydrophobicContact CD1-CG2 3.56Å
75K95.4Very high89.8Confident91 Ų9155.6 Ų55.640%0.39633%0.326SS..EExtended strand (participates in β ladder)trans-97.2-42.9-179.9-60.8179.863.6-178.60112.2N89 W127K75-N89 WeakPolarHBondContact CA-O 3.43Å; K75-N89 VanDerWaalsContact CB-O 3.32Å; K75-N89 WeakPolarHBondContact CB-O 3.34Å; K75-N89 PolarHBondContact N-O 3.35Å; K75-W127 PolarHBondContact NZ-O 3.2Å
76S96.4Very high90.3Very high18 Ų1851.3 Ų51.313%0.12630%0.299CS..EExtended strand (participates in β ladder)trans-155.8152.7177.963.40000111.1N89S76-N89 PolarHBondContact N-O 3.14Å; S76-N89 PolarHBondContact O-N 3.15Å; S76-N89 VanDerWaalsContact OG-CB 3.3Å; S76-N89 WeakPolarHBondContact OG-CB 3.37Å
77I97.7Very high91Very high5 Ų549.7 Ų49.73%0.02629%0.29CS..EExtended strand (participates in β ladder)trans-125.6124.9174.1-56.7173.1000106.2V29 I48 I74 F79 F86 L87V29-I77 HydrophobicContact CG1-CD1 4.12Å; V29-I77 HydrophobicContact CG1-CG1 4.11Å; I48-I77 HydrophobicContact CD1-CD1 4.11Å; I74-I77 HydrophobicContact CG2-CD1 4.33Å; I74-I77 HydrophobicContact CG2-CG1 3.91Å; I77-F79 HydrophobicContact CG2-CD2 4.46Å; I77-F79 HydrophobicContact CG2-CE2 3.81Å; I77-F79 HydrophobicContact CG2-CZ 4.43Å; I77-F86 HydrophobicContact CG2-CD2 3.91Å; I77-F86 HydrophobicContact CG2-CE2 4.31Å; I77-L87 WeakPolarHBondContact CA-O 3.15Å
78E97.4Very high92Very high57 Ų5746.3 Ų46.327%0.26626%0.255SS..EExtended strand (participates in β ladder)trans-132.4134.8-176.4-66.4-77.5177.800109F86 L87 K129 F132E78-F86 CarbonylContact O-C 3.47Å; E78-F86 WeakPolarHBondContact O-CA 3.44Å; E78-F86 VanDerWaalsContact O-CB 3.31Å; E78-F86 WeakPolarHBondContact O-CB 3.47Å; E78-L87 HydrophobicContact CB-CD1 3.82Å; E78-L87 HydrophobicContact CB-CG 3.98Å; E78-L87 HydrophobicContact CG-CD1 4.23Å; E78-L87 PolarHBondContact N-O 2.83Å; E78-L87 PolarHBondContact O-N 2.92Å; E78-K129 WeakPolarHBondContact OE1-CE 3.4Å; E78-F132 WeakPolarHBondContact O-CE2 3.28Å
79F96.1Very high93Very high28 Ų2842.1 Ų42.112%0.12323%0.229CC..EExtended strand (participates in β ladder)trans-100146.4-179.3-77-95.3000111.1F32 D33 Y40 I77 F86F32-F79 WeakPolarHBondContact O-CD2 3.03Å; F32-F79 WeakPolarHBondContact O-CE2 3.45Å; D33-F79 HydrophobicContact CB-CD1 4.06Å; D33-F79 HydrophobicContact CB-CE1 3.73Å; D33-F79 HydrophobicContact CB-CZ 4.08Å; Y40-F79 AromaticContact CD1-CZ 3.96Å; Y40-F79 HydrophobicContact CD1-CZ 3.96Å; Y40-F79 HydrophobicContact CD2-CE1 4.26Å; Y40-F79 HydrophobicContact CD2-CE2 4.23Å; Y40-F79 AromaticContact CD2-CZ 3.44Å; Y40-F79 HydrophobicContact CD2-CZ 3.44Å; Y40-F79 VanDerWaalsContact CD2-CZ 3.44Å; Y40-F79 HydrophobicContact CE1-CZ 4.25Å; Y40-F79 HydrophobicContact CE2-CE1 4.14Å; Y40-F79 AromaticContact CE2-CZ 3.76Å; Y40-F79 HydrophobicContact CE2-CZ 3.76Å; Y40-F79 HydrophobicContact CG-CE2 4.21Å; Y40-F79 AromaticContact CG-CZ 3.56Å; Y40-F79 HydrophobicContact CG-CZ 3.56Å; I77-F79 HydrophobicContact CG2-CD2 4.46Å; I77-F79 HydrophobicContact CG2-CE2 3.81Å; I77-F79 HydrophobicContact CG2-CZ 4.43Å; F79-F86 HydrophobicContact CB-CB 4.36Å; F79-F86 HydrophobicContact CD1-CB 3.39Å; F79-F86 HydrophobicContact CD1-CG 4.08Å; F79-F86 HydrophobicContact CD2-CB 4.3Å; F79-F86 HydrophobicContact CE1-CB 3.54Å; F79-F86 AromaticContact CE1-CD1 3.94Å; F79-F86 HydrophobicContact CE1-CD1 3.94Å; F79-F86 HydrophobicContact CE1-CD2 4.35Å; F79-F86 AromaticContact CE1-CG 3.68Å; F79-F86 HydrophobicContact CE1-CG 3.68Å; F79-F86 HydrophobicContact CE2-CB 4.42Å; F79-F86 HydrophobicContact CG-CB 3.78Å; F79-F86 HydrophobicContact CZ-CB 4.04Å; F79-F86 HydrophobicContact CZ-CD1 4.44Å; F79-F86 HydrophobicContact CZ-CD2 4.16Å; F79-F86 AromaticContact CZ-CG 3.95Å; F79-F86 HydrophobicContact CZ-CG 3.95Å
80A93.6Very high93.8Very high2 Ų236.3 Ų36.32%0.01719%0.188CC..  trans-68.7145.916800000109.7K82 C85 F132A80-K82 WeakPolarHBondContact CB-O 3.24Å; A80-K82 PolarHBondContact O-N 3.33Å; A80-C85 HydrophobicContact CB-CB 4.44Å; A80-C85 VanDerWaalsContact CB-O 3.25Å; A80-C85 WeakPolarHBondContact CB-O 3.43Å; A80-C85 PolarHBondContact N-O 2.84Å; A80-F132 HydrophobicContact CB-CB 4.37Å; A80-F132 HydrophobicContact CB-CD1 4.03Å; A80-F132 HydrophobicContact CB-CD2 3.99Å; A80-F132 HydrophobicContact CB-CE1 4.29Å; A80-F132 HydrophobicContact CB-CE2 4.25Å; A80-F132 HydrophobicContact CB-CG 3.87Å; A80-F132 HydrophobicContact CB-CZ 4.39Å
81R86.8Confident94.3Very high160 Ų16033.4 Ų33.460%0.60418%0.18SC*.SBendtrans-75.6-15.5175.5-66.1-174.3-178.4-130.44.7112.9R34 P178R34-R81 WeakPolarHBondContact CD-O 3.49Å; R81-P178 VanDerWaalsContact NH1-CB 3.34Å
82K85.2Confident94.5Very high88 Ų8831.8 Ų31.838%0.38317%0.169SC..SBendtrans-126.3135.6178.3-170.7173.4-177.1171.10109.7A80 D135A80-K82 WeakPolarHBondContact CB-O 3.24Å; A80-K82 PolarHBondContact O-N 3.33Å; K82-D135 WeakPolarHBondContact CB-O 3.34Å
83G86.3Confident94.5Very high24 Ų2436.1 Ų36.125%0.24718%0.184CC..SBendtrans71.3-154.8-175.600000114.1R34 S261R34-G83 VanDerWaalsContact CD-O 3.24Å; R34-G83 WeakPolarHBondContact CD-O 3.48Å; R34-G83 PolarHBondContact NE-O 3.14Å; G83-S261 PolarHBondContact N-OG 3.33Å
84S90.8Very high94.7Very high27 Ų2735.9 Ų35.919%0.18918%0.178CC..SBendtrans-119.18.9-174.254.30000113.8D99 G100 R101S84-D99 WeakPolarHBondContact CB-OD1 3.4Å; S84-D99 PolarHBondContact OG-OD1 2.76Å; S84-D99 PolarHBondContact OG-OD2 2.85Å; S84-G100 PolarHBondContact O-N 2.78Å; S84-R101 PolarHBondContact OG-NE 2.92Å; S84-R101 PolarHBondContact OG-NH2 2.81Å
85C95.2Very high94.7Very high9 Ų935.1 Ų35.16%0.06117%0.174CC..EExtended strand (participates in β ladder)trans-74.1146.5178.3-61.70000111A80 Y98 K154A80-C85 HydrophobicContact CB-CB 4.44Å; A80-C85 VanDerWaalsContact CB-O 3.25Å; A80-C85 WeakPolarHBondContact CB-O 3.43Å; A80-C85 PolarHBondContact N-O 2.84Å; C85-Y98 WeakPolarHBondContact CA-O 3.47Å; C85-K154 WeakPolarHBondContact SG-CE 3.03Å; C85-K154 PolarHBondContact SG-NZ 2.89Å
86F97.5Very high94.8Very high0 Ų031 Ų310%016%0.156CC..EExtended strand (participates in β ladder)trans-149.1164174.375-78.1000110Y40 I77 E78 F79 I88 V97 Y98 I103Y40-F86 HydrophobicContact CD1-CE2 4.23Å; Y40-F86 HydrophobicContact CD1-CZ 4.19Å; Y40-F86 HydrophobicContact CE1-CE1 4.08Å; Y40-F86 HydrophobicContact CE1-CE2 4.36Å; Y40-F86 AromaticContact CE1-CZ 3.88Å; Y40-F86 HydrophobicContact CE1-CZ 3.88Å; I77-F86 HydrophobicContact CG2-CD2 3.91Å; I77-F86 HydrophobicContact CG2-CE2 4.31Å; E78-F86 CarbonylContact O-C 3.47Å; E78-F86 WeakPolarHBondContact O-CA 3.44Å; E78-F86 VanDerWaalsContact O-CB 3.31Å; E78-F86 WeakPolarHBondContact O-CB 3.47Å; F79-F86 HydrophobicContact CB-CB 4.36Å; F79-F86 HydrophobicContact CD1-CB 3.39Å; F79-F86 HydrophobicContact CD1-CG 4.08Å; F79-F86 HydrophobicContact CD2-CB 4.3Å; F79-F86 HydrophobicContact CE1-CB 3.54Å; F79-F86 AromaticContact CE1-CD1 3.94Å; F79-F86 HydrophobicContact CE1-CD1 3.94Å; F79-F86 HydrophobicContact CE1-CD2 4.35Å; F79-F86 AromaticContact CE1-CG 3.68Å; F79-F86 HydrophobicContact CE1-CG 3.68Å; F79-F86 HydrophobicContact CE2-CB 4.42Å; F79-F86 HydrophobicContact CG-CB 3.78Å; F79-F86 HydrophobicContact CZ-CB 4.04Å; F79-F86 HydrophobicContact CZ-CD1 4.44Å; F79-F86 HydrophobicContact CZ-CD2 4.16Å; F79-F86 AromaticContact CZ-CG 3.95Å; F79-F86 HydrophobicContact CZ-CG 3.95Å; F86-I88 HydrophobicContact CD2-CG1 4.16Å; F86-I88 HydrophobicContact CE2-CD1 3.82Å; F86-I88 HydrophobicContact CE2-CG1 3.62Å; F86-I88 HydrophobicContact CZ-CD1 4.42Å; F86-V97 WeakPolarHBondContact O-CA 3.31Å; F86-Y98 HydrophobicContact CE1-CG 4.44Å; F86-Y98 HydrophobicContact CE2-CD2 4.5Å; F86-Y98 HydrophobicContact CZ-CD2 4.22Å; F86-Y98 HydrophobicContact CZ-CG 4.14Å; F86-Y98 PolarHBondContact N-O 3.02Å; F86-Y98 PolarHBondContact O-N 3.09Å; F86-I103 HydrophobicContact CE1-CD1 3.16Å; F86-I103 HydrophobicContact CE2-CD1 4.48Å; F86-I103 HydrophobicContact CZ-CD1 3.14Å
87L97.9Very high94.9Very high0 Ų030.1 Ų30.10%015%0.15CC..EExtended strand (participates in β ladder)trans-121.8150.1-179.366.281.6000111.4I77 E78 I95 R96 V97 C130 F132 I139I77-L87 WeakPolarHBondContact CA-O 3.15Å; E78-L87 HydrophobicContact CB-CD1 3.82Å; E78-L87 HydrophobicContact CB-CG 3.98Å; E78-L87 HydrophobicContact CG-CD1 4.23Å; E78-L87 PolarHBondContact N-O 2.83Å; E78-L87 PolarHBondContact O-N 2.92Å; L87-I95 HydrophobicContact CB-CG2 4.03Å; L87-I95 HydrophobicContact CD1-CG2 4.31Å; L87-R96 CarbonylContact C-O 3.59Å; L87-R96 VanDerWaalsContact CA-O 3.31Å; L87-R96 WeakPolarHBondContact CA-O 3.46Å; L87-V97 HydrophobicContact CB-CG2 4.44Å; L87-C130 HydrophobicContact CD1-CB 3.83Å; L87-C130 HydrophobicContact CD2-CB 4.2Å; L87-F132 HydrophobicContact CB-CE2 3.86Å; L87-F132 HydrophobicContact CB-CZ 3.88Å; L87-F132 HydrophobicContact CD2-CD2 3.84Å; L87-F132 HydrophobicContact CD2-CE1 4.48Å; L87-F132 HydrophobicContact CD2-CE2 3.51Å; L87-F132 HydrophobicContact CD2-CG 4.46Å; L87-F132 HydrophobicContact CD2-CZ 3.87Å; L87-F132 HydrophobicContact CG-CD2 4.24Å; L87-F132 HydrophobicContact CG-CE2 3.56Å; L87-F132 HydrophobicContact CG-CZ 4.05Å; L87-I139 HydrophobicContact CD2-CD1 4.41Å; L87-I139 HydrophobicContact CD2-CG1 4.37Å; L87-I139 HydrophobicContact CD2-CG2 3.72Å
88I98.1Very high94.9Very high0 Ų030 Ų300%015%0.15CC..EExtended strand (participates in β ladder)trans-121118.3175.3-52.7-175000107.6I48 F62 V64 I74 F86 T90 I95 R96 Y98I48-I88 HydrophobicContact CD1-CD1 4.13Å; I48-I88 HydrophobicContact CG1-CD1 4.08Å; F62-I88 HydrophobicContact CE2-CD1 4.47Å; F62-I88 HydrophobicContact CZ-CD1 4.12Å; V64-I88 HydrophobicContact CG2-CD1 4.22Å; I74-I88 HydrophobicContact CD1-CG2 3.78Å; I74-I88 HydrophobicContact CG2-CG2 3.77Å; F86-I88 HydrophobicContact CD2-CG1 4.16Å; F86-I88 HydrophobicContact CE2-CD1 3.82Å; F86-I88 HydrophobicContact CE2-CG1 3.62Å; F86-I88 HydrophobicContact CZ-CD1 4.42Å; I88-T90 HydrophobicContact CG2-CG2 3.72Å; I88-I95 WeakPolarHBondContact O-CA 3.25Å; I88-R96 PolarHBondContact N-O 2.99Å; I88-R96 PolarHBondContact O-N 3.14Å; I88-Y98 HydrophobicContact CD1-CD2 3.82Å; I88-Y98 HydrophobicContact CD1-CE2 3.68Å; I88-Y98 HydrophobicContact CG1-CD2 4.11Å; I88-Y98 HydrophobicContact CG1-CE2 4.23Å
89N97.8Very high94.8Very high1 Ų128.4 Ų28.41%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-92.6117.5172.8179.511.2000109.2K75 S76 W127K75-N89 WeakPolarHBondContact CA-O 3.43Å; K75-N89 VanDerWaalsContact CB-O 3.32Å; K75-N89 WeakPolarHBondContact CB-O 3.34Å; K75-N89 PolarHBondContact N-O 3.35Å; S76-N89 PolarHBondContact N-O 3.14Å; S76-N89 PolarHBondContact O-N 3.15Å; S76-N89 VanDerWaalsContact OG-CB 3.3Å; S76-N89 WeakPolarHBondContact OG-CB 3.37Å; N89-W127 PolarHBondContact ND2-O 2.69Å
90T96.6Very high94.7Very high1 Ų127.3 Ų27.31%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-115160.4-175.948.90000113.1T72 A73 I74 I88 D92 R93 I94 R96T72-T90 HydrophobicContact CG2-CG2 3.88Å; A73-T90 CarbonylContact O-C 3.37Å; A73-T90 WeakPolarHBondContact O-CA 3.45Å; I74-T90 HydrophobicContact CD1-CG2 3.56Å; I88-T90 HydrophobicContact CG2-CG2 3.72Å; T90-D92 VanDerWaalsContact CB-OD1 3.31Å; T90-D92 WeakPolarHBondContact CB-OD1 3.08Å; T90-D92 PolarHBondContact O-N 2.92Å; T90-D92 PolarHBondContact OG1-OD1 3.35Å; T90-R93 PolarHBondContact O-N 2.79Å; T90-I94 PolarHBondContact OG1-O 2.67Å; T90-R96 PolarHBondContact OG1-NH1 3.49Å
91A95.4Very high94.7Very high56 Ų5634.9 Ų34.946%0.46317%0.168SC..THydrogen-bonded Turntrans-69.2-18-176.400000114.4T72 A73 R93T72-A91 PolarHBondContact OG1-N 3.05Å; A73-A91 HydrophobicContact CB-CB 4.02Å; A73-A91 PolarHBondContact O-N 2.89Å; A91-R93 PolarHBondContact O-N 3.19Å
92D94.9Very high95.1Very high44 Ų4430.8 Ų30.824%0.23516%0.155CC..THydrogen-bonded Turntrans-73.73.7173.967.5-9.9000113.6T72 T90 I94 R96T72-D92 PolarHBondContact OG1-N 3.48Å; T72-D92 VanDerWaalsContact OG1-N 3.13Å; T90-D92 VanDerWaalsContact CB-OD1 3.31Å; T90-D92 WeakPolarHBondContact CB-OD1 3.08Å; T90-D92 PolarHBondContact O-N 2.92Å; T90-D92 PolarHBondContact OG1-OD1 3.35Å; D92-I94 VanDerWaalsContact C-N 3.26Å; D92-I94 PolarHBondContact O-N 2.91Å; D92-I94 PolarHBondContact OD1-N 2.95Å; D92-R96 IonicContact OD1-NH1 2.69Å; D92-R96 PolarHBondContact OD1-NH1 3.24Å; D92-R96 IonicContact OD2-CZ 3.6Å; D92-R96 VanDerWaalsContact OD2-CZ 3.29Å; D92-R96 IonicContact OD2-NH1 2.69Å; D92-R96 PolarHBondContact OD2-NH1 3.04Å; D92-R96 IonicContact OD2-NH2 3.57Å; D92-R96 PolarHBondContact OD2-NH2 2.51Å
93R95.8Very high95.6Very high100 Ų10026.7 Ų26.738%0.37714%0.138SC..SBendtrans73.115174.7-39.2178-161.2166.47.4114.1T90 A91 R124 P126 W127T90-R93 PolarHBondContact O-N 2.79Å; A91-R93 PolarHBondContact O-N 3.19Å; R93-R124 WeakPolarHBondContact CD-O 3.42Å; R93-R124 PolarHBondContact NH1-O 2.8Å; R93-P126 HydrophobicContact CG-CB 4.17Å; R93-W127 PolarHBondContact O-NE1 2.99Å
94I96.7Very high96Very high27 Ų2728.5 Ų28.514%0.13814%0.141CC..  trans-108.8129.5176.1-56.3174.2000107.7T90 D92 R96 K117 L118 Q119T90-I94 PolarHBondContact OG1-O 2.67Å; D92-I94 VanDerWaalsContact C-N 3.26Å; D92-I94 PolarHBondContact O-N 2.91Å; D92-I94 PolarHBondContact OD1-N 2.95Å; I94-R96 HydrophobicContact CG2-CG 4.25Å; I94-K117 HydrophobicContact CG2-CB 4.07Å; I94-L118 WeakPolarHBondContact CA-O 3.31Å; I94-Q119 HydrophobicContact CG1-CB 4.23Å
95I97.8Very high96.2Very high0 Ų033.1 Ų33.10%017%0.169CC..EExtended strand (participates in β ladder)trans-91.2131.3169-59160.7000106.8L87 I88 K117 L118 W127 C130 A141L87-I95 HydrophobicContact CB-CG2 4.03Å; L87-I95 HydrophobicContact CD1-CG2 4.31Å; I88-I95 WeakPolarHBondContact O-CA 3.25Å; I95-K117 CarbonylContact O-C 3.53Å; I95-K117 WeakPolarHBondContact O-CA 3.49Å; I95-L118 HydrophobicContact CB-CB 4.21Å; I95-L118 PolarHBondContact N-O 2.78Å; I95-L118 PolarHBondContact O-N 2.7Å; I95-W127 HydrophobicContact CD1-CB 4.5Å; I95-W127 HydrophobicContact CD1-CD2 4.09Å; I95-W127 HydrophobicContact CD1-CG 3.84Å; I95-W127 HydrophobicContact CG1-CG 4.09Å; I95-C130 HydrophobicContact CD1-CB 4.46Å; I95-C130 WeakPolarHBondContact CD1-SG 3.34Å; I95-A141 HydrophobicContact CD1-CB 3.45Å; I95-A141 VanDerWaalsContact CD1-CB 3.45Å
96R97.5Very high96.1Very high4 Ų435.4 Ų35.42%0.01518%0.184CC..EExtended strand (participates in β ladder)trans-114.3127179.6-66.7173.9175.471.9-3.6109.7V64 T65 L87 I88 T90 D92 I94 Y98 P114V64-R96 VanDerWaalsContact CG1-NE 3.28Å; T65-R96 PolarHBondContact O-NE 2.81Å; T65-R96 PolarHBondContact O-NH2 2.99Å; L87-R96 CarbonylContact C-O 3.59Å; L87-R96 VanDerWaalsContact CA-O 3.31Å; L87-R96 WeakPolarHBondContact CA-O 3.46Å; I88-R96 PolarHBondContact N-O 2.99Å; I88-R96 PolarHBondContact O-N 3.14Å; T90-R96 PolarHBondContact OG1-NH1 3.49Å; D92-R96 IonicContact OD1-NH1 2.69Å; D92-R96 PolarHBondContact OD1-NH1 3.24Å; D92-R96 IonicContact OD2-CZ 3.6Å; D92-R96 VanDerWaalsContact OD2-CZ 3.29Å; D92-R96 IonicContact OD2-NH1 2.69Å; D92-R96 PolarHBondContact OD2-NH1 3.04Å; D92-R96 IonicContact OD2-NH2 3.57Å; D92-R96 PolarHBondContact OD2-NH2 2.51Å; I94-R96 HydrophobicContact CG2-CG 4.25Å; R96-Y98 HydrophobicContact CB-CD2 4.22Å; R96-Y98 HydrophobicContact CB-CE2 3.54Å; R96-P114 HydrophobicContact CB-CB 4.12Å; R96-P114 HydrophobicContact CG-CB 4.49Å
97V97.7Very high96Very high0 Ų036.1 Ų36.10%019%0.192CC..EExtended strand (participates in β ladder)trans-103.4132.6178.8-172.30000108.4F86 L87 P114 M115 Q116 L118 F132 I139F86-V97 WeakPolarHBondContact O-CA 3.31Å; L87-V97 HydrophobicContact CB-CG2 4.44Å; V97-P114 CarbonylContact O-C 3.56Å; V97-P114 VanDerWaalsContact O-CA 3.26Å; V97-P114 WeakPolarHBondContact O-CA 3.19Å; V97-P114 WeakPolarHBondContact O-CB 3.35Å; V97-M115 PolarHBondContact O-N 2.91Å; V97-Q116 HydrophobicContact CB-CB 4.12Å; V97-Q116 HydrophobicContact CG2-CB 4.2Å; V97-Q116 PolarHBondContact N-O 2.81Å; V97-Q116 PolarHBondContact O-N 3.09Å; V97-L118 HydrophobicContact CG2-CD1 4.39Å; V97-F132 HydrophobicContact CG1-CZ 4.38Å; V97-I139 HydrophobicContact CG1-CD1 4.47Å; V97-I139 HydrophobicContact CG2-CD1 3.45Å; V97-I139 VanDerWaalsContact CG2-CD1 3.45Å
98Y97.2Very high95.8Very high3 Ų343.8 Ų43.81%0.01222%0.22CC..EExtended strand (participates in β ladder)trans-131.6159.2-178.9-69.8-87.9000110.3F62 C85 F86 I88 R96 P112 P114F62-Y98 HydrophobicContact CE2-CE1 4.33Å; F62-Y98 HydrophobicContact CE2-CE2 4.49Å; C85-Y98 WeakPolarHBondContact CA-O 3.47Å; F86-Y98 HydrophobicContact CE1-CG 4.44Å; F86-Y98 HydrophobicContact CE2-CD2 4.5Å; F86-Y98 HydrophobicContact CZ-CD2 4.22Å; F86-Y98 HydrophobicContact CZ-CG 4.14Å; F86-Y98 PolarHBondContact N-O 3.02Å; F86-Y98 PolarHBondContact O-N 3.09Å; I88-Y98 HydrophobicContact CD1-CD2 3.82Å; I88-Y98 HydrophobicContact CD1-CE2 3.68Å; I88-Y98 HydrophobicContact CG1-CD2 4.11Å; I88-Y98 HydrophobicContact CG1-CE2 4.23Å; R96-Y98 HydrophobicContact CB-CD2 4.22Å; R96-Y98 HydrophobicContact CB-CE2 3.54Å; Y98-P112 HydrophobicContact CD1-CB 4.33Å; Y98-P112 HydrophobicContact CE1-CB 4.27Å; Y98-P112 HydrophobicContact CE1-CG 4.29Å; Y98-P114 HydrophobicContact CD1-CB 4.22Å; Y98-P114 HydrophobicContact CD2-CB 4.48Å; Y98-P114 HydrophobicContact CE1-CB 3.79Å; Y98-P114 HydrophobicContact CE1-CG 4.43Å; Y98-P114 HydrophobicContact CE2-CB 4.08Å
99D95.8Very high95.6Very high22 Ų2249.1 Ų49.112%0.11825%0.249CC..EExtended strand (participates in β ladder)trans-96.1125.8163.7-168.4-25.4000109.3S84 R101 E102 I103 M115S84-D99 WeakPolarHBondContact CB-OD1 3.4Å; S84-D99 PolarHBondContact OG-OD1 2.76Å; S84-D99 PolarHBondContact OG-OD2 2.85Å; D99-R101 PolarHBondContact O-N 3.42Å; D99-R101 WeakPolarHBondContact OD1-CB 3.45Å; D99-R101 PolarHBondContact OD1-N 2.82Å; D99-R101 IonicContact OD1-NE 3.75Å; D99-R101 PolarHBondContact OD1-NE 3.28Å; D99-R101 IonicContact OD2-CZ 2.95Å; D99-R101 IonicContact OD2-NE 2.92Å; D99-R101 PolarHBondContact OD2-NE 3.42Å; D99-R101 IonicContact OD2-NH2 4Å; D99-R101 PolarHBondContact OD2-NH2 3.2Å; D99-E102 HydrophobicContact CB-CB 4.31Å; D99-E102 WeakPolarHBondContact O-CB 3.24Å; D99-E102 PolarHBondContact O-N 3.49Å; D99-I103 PolarHBondContact O-N 3.28Å; D99-M115 HydrophobicContact CB-SD 3.77Å
100G94Very high95.3Very high6 Ų649.7 Ų49.76%0.06226%0.255CS..Hα-helixtrans-57-33.9175.400000113.4S84 E102 I103 L104S84-G100 PolarHBondContact O-N 2.78Å; G100-E102 PolarHBondContact O-N 2.99Å; G100-I103 PolarHBondContact O-N 2.54Å; G100-L104 WeakPolarHBondContact O-CG 3.32Å; G100-L104 PolarHBondContact O-N 3.44Å
101R94Very high95.2Very high160 Ų16058 Ų5860%0.60429%0.294SS*.Hα-helixtrans-65.7-38.2178.7-68.1177.1-69.6-171.3-3.1112.3S84 D99 I103 L104 T105S84-R101 PolarHBondContact OG-NE 2.92Å; S84-R101 PolarHBondContact OG-NH2 2.81Å; D99-R101 PolarHBondContact O-N 3.42Å; D99-R101 WeakPolarHBondContact OD1-CB 3.45Å; D99-R101 PolarHBondContact OD1-N 2.82Å; D99-R101 IonicContact OD1-NE 3.75Å; D99-R101 PolarHBondContact OD1-NE 3.28Å; D99-R101 IonicContact OD2-CZ 2.95Å; D99-R101 IonicContact OD2-NE 2.92Å; D99-R101 PolarHBondContact OD2-NE 3.42Å; D99-R101 IonicContact OD2-NH2 4Å; D99-R101 PolarHBondContact OD2-NH2 3.2Å; R101-I103 VanDerWaalsContact C-N 3.32Å; R101-L104 PolarHBondContact O-N 3.46Å; R101-T105 WeakPolarHBondContact O-CB 3.47Å; R101-T105 PolarHBondContact O-N 3.02Å; R101-T105 PolarHBondContact O-OG1 3.46Å
102E94.9Very high95.1Very high74 Ų7455.8 Ų55.835%0.34628%0.275SS..Hα-helixtrans-63.4-42.5176.3-172.2-178.6166.300110.4D99 G100 L104 T105 C106D99-E102 HydrophobicContact CB-CB 4.31Å; D99-E102 WeakPolarHBondContact O-CB 3.24Å; D99-E102 PolarHBondContact O-N 3.49Å; G100-E102 PolarHBondContact O-N 2.99Å; E102-L104 PolarHBondContact O-N 3.11Å; E102-T105 CarbonylContact O-C 3.54Å; E102-T105 WeakPolarHBondContact O-CB 3.3Å; E102-T105 PolarHBondContact O-N 3.41Å; E102-T105 VanDerWaalsContact O-N 3.11Å; E102-C106 PolarHBondContact O-N 3.31Å; E102-C106 PolarHBondContact O-SG 2.9Å
103I95.7Very high95.1Very high2 Ų260.8 Ų60.81%0.0130%0.297CS..Hα-helixtrans-65.1-43.2179.8-62.8166.5000111.7Y40 V50 A60 F62 F86 D99 G100 R101 T105 C106 G107 P112Y40-I103 HydrophobicContact CE1-CD1 4.01Å; Y40-I103 HydrophobicContact CE1-CG2 4.49Å; V50-I103 HydrophobicContact CG2-CG2 3.85Å; A60-I103 HydrophobicContact CB-CG2 3.95Å; F62-I103 HydrophobicContact CD1-CG2 4.01Å; F62-I103 HydrophobicContact CE1-CD1 3.9Å; F62-I103 HydrophobicContact CE1-CG1 4.2Å; F62-I103 HydrophobicContact CE1-CG2 3.86Å; F62-I103 HydrophobicContact CZ-CD1 4.13Å; F86-I103 HydrophobicContact CE1-CD1 3.16Å; F86-I103 HydrophobicContact CE2-CD1 4.48Å; F86-I103 HydrophobicContact CZ-CD1 3.14Å; D99-I103 PolarHBondContact O-N 3.28Å; G100-I103 PolarHBondContact O-N 2.54Å; R101-I103 VanDerWaalsContact C-N 3.32Å; I103-T105 PolarHBondContact O-N 3.47Å; I103-C106 PolarHBondContact O-N 3.07Å; I103-G107 PolarHBondContact O-N 3.27Å; I103-P112 HydrophobicContact CG1-CB 4.17Å; I103-P112 HydrophobicContact CG1-CG 4.23Å
104L94.4Very high95Very high63 Ų6357.3 Ų57.333%0.3329%0.287SS..Hα-helixtrans-63.5-33.8175.4-66.6174000111.4Y38 V50 V59 G100 R101 E102 G107Y38-L104 HydrophobicContact CD1-CD2 4.32Å; Y38-L104 HydrophobicContact CD2-CD1 4.28Å; Y38-L104 HydrophobicContact CE1-CD2 4.07Å; Y38-L104 HydrophobicContact CE2-CD1 3.76Å; Y38-L104 HydrophobicContact CE2-CD2 4.31Å; V50-L104 HydrophobicContact CG1-CD2 4.19Å; V59-L104 HydrophobicContact CG2-CD2 3.89Å; G100-L104 WeakPolarHBondContact O-CG 3.32Å; G100-L104 PolarHBondContact O-N 3.44Å; R101-L104 PolarHBondContact O-N 3.46Å; E102-L104 PolarHBondContact O-N 3.11Å; L104-G107 PolarHBondContact O-N 3.37Å
105T95.2Very high95Very high124 Ų12460.7 Ų60.776%0.76130%0.304SS*.Hα-helixtrans-71.2-38.8176-550000112R101 E102 I103 G107R101-T105 WeakPolarHBondContact O-CB 3.47Å; R101-T105 PolarHBondContact O-N 3.02Å; R101-T105 PolarHBondContact O-OG1 3.46Å; E102-T105 CarbonylContact O-C 3.54Å; E102-T105 WeakPolarHBondContact O-CB 3.3Å; E102-T105 PolarHBondContact O-N 3.41Å; E102-T105 VanDerWaalsContact O-N 3.11Å; I103-T105 PolarHBondContact O-N 3.47Å; T105-G107 VanDerWaalsContact C-N 3.3Å; T105-G107 PolarHBondContact O-N 3.29Å
106C94Very high94.9Very high56 Ų5663 Ų6338%0.37831%0.314SS..Hα-helixtrans-65.1-33.9174.1-66.50000112.5E102 I103E102-C106 PolarHBondContact O-N 3.31Å; E102-C106 PolarHBondContact O-SG 2.9Å; I103-C106 PolarHBondContact O-N 3.07Å
107G94.6Very high94.8Very high16 Ų1668.2 Ų68.217%0.16534%0.337CS..  trans71.9-148.717800000113.8A60 S61 I103 L104 T105A60-G107 VanDerWaalsContact CA-O 3.26Å; A60-G107 WeakPolarHBondContact CA-O 3.47Å; A60-G107 VanDerWaalsContact CB-O 3.3Å; A60-G107 WeakPolarHBondContact CB-O 3.33Å; S61-G107 PolarHBondContact N-O 2.87Å; S61-G107 VanDerWaalsContact N-O 3.15Å; I103-G107 PolarHBondContact O-N 3.27Å; L104-G107 PolarHBondContact O-N 3.37Å; T105-G107 VanDerWaalsContact C-N 3.3Å; T105-G107 PolarHBondContact O-N 3.29Å
108R94.8Very high94.8Very high160 Ų16068.3 Ų68.360%0.60434%0.337SS*.THydrogen-bonded Turntrans-76.2135.1-176.2-65.3-176.2-178.3177.51.2111.4L58 G110L58-R108 HydrophobicContact CG-CG 4.47Å; L58-R108 PolarHBondContact O-NE 3.04Å; L58-R108 PolarHBondContact O-NH2 2.83Å; R108-G110 PolarHBondContact O-N 3.48Å
109D93Very high94.7Very high113 Ų11371.9 Ų71.960%0.60435%0.354SS*.THydrogen-bonded Turntrans5337.8-177-60-50.5000113.2K47 S61K47-D109 IonicContact NZ-OD1 3.31Å; K47-D109 PolarHBondContact NZ-OD1 3.47Å; S61-D109 CarbonylContact O-C 3.58Å; S61-D109 WeakPolarHBondContact O-CA 3.19Å; S61-D109 PolarHBondContact O-N 3.22Å; S61-D109 PolarHBondContact OG-N 3.3Å; S61-D109 PolarHBondContact OG-OD1 2.93Å; S61-D109 VanDerWaalsContact OG-OD1 3.14Å
110G92.1Very high94.7Very high13 Ų1371.5 Ų71.513%0.13435%0.352CS..BIsolated β-bridgetrans-74.4167.5174.900000113.3S61 F62 R108 P112S61-G110 PolarHBondContact O-N 2.87Å; F62-G110 WeakPolarHBondContact CB-O 3.02Å; R108-G110 PolarHBondContact O-N 3.48Å; G110-P112 VanDerWaalsContact C-CD 3.43Å; G110-P112 WeakPolarHBondContact O-CD 3.31Å
111E93.4Very high94.7Very high176 Ų17677.4 Ų77.482%0.82238%0.382SS*.  trans-124.265.2177.3-62.2-171.8157.200110.5
112P94.6Very high94.7Very high8 Ų875.8 Ų75.85%0.05239%0.389CS..PPolyproline II helixtrans-66.9138.7-179.629.4-34.4000110.7F62 Y98 I103 G110F62-P112 VanDerWaalsContact CB-CD 3.48Å; F62-P112 HydrophobicContact CB-CG 3.92Å; F62-P112 HydrophobicContact CD1-CG 3.91Å; F62-P112 HydrophobicContact CD2-CG 3.5Å; F62-P112 VanDerWaalsContact CD2-CG 3.5Å; F62-P112 HydrophobicContact CE1-CG 4.25Å; F62-P112 HydrophobicContact CE2-CG 3.87Å; F62-P112 HydrophobicContact CG-CG 3.52Å; F62-P112 HydrophobicContact CZ-CG 4.23Å; Y98-P112 HydrophobicContact CD1-CB 4.33Å; Y98-P112 HydrophobicContact CE1-CB 4.27Å; Y98-P112 HydrophobicContact CE1-CG 4.29Å; I103-P112 HydrophobicContact CG1-CB 4.17Å; I103-P112 HydrophobicContact CG1-CG 4.23Å; G110-P112 VanDerWaalsContact C-CD 3.43Å; G110-P112 WeakPolarHBondContact O-CD 3.31Å
113E93.6Very high94.6Very high150 Ų15076.4 Ų76.470%0.70140%0.395SS*.PPolyproline II helixtrans-89.4138.2173.3-65.2-162.6157.500110M115E113-M115 PolarHBondContact O-N 3.3Å
114P95.2Very high94.5Very high26 Ų2684.6 Ų84.617%0.16943%0.426CS..PPolyproline II helixtrans-70.2131.8176.128.3-32.5000109.7R96 V97 Y98 Q116 K117R96-P114 HydrophobicContact CB-CB 4.12Å; R96-P114 HydrophobicContact CG-CB 4.49Å; V97-P114 CarbonylContact O-C 3.56Å; V97-P114 VanDerWaalsContact O-CA 3.26Å; V97-P114 WeakPolarHBondContact O-CA 3.19Å; V97-P114 WeakPolarHBondContact O-CB 3.35Å; Y98-P114 HydrophobicContact CD1-CB 4.22Å; Y98-P114 HydrophobicContact CD2-CB 4.48Å; Y98-P114 HydrophobicContact CE1-CB 3.79Å; Y98-P114 HydrophobicContact CE1-CG 4.43Å; Y98-P114 HydrophobicContact CE2-CB 4.08Å; P114-Q116 PolarHBondContact O-N 2.83Å; P114-K117 HydrophobicContact CB-CG 4.37Å; P114-K117 HydrophobicContact CG-CD 4.17Å; P114-K117 HydrophobicContact CG-CG 3.79Å
115M95.1Very high94.6Very high99 Ų9981.9 Ų81.949%0.48841%0.412SS..SBendtrans-52.8-40.1170.2-60.1178.97500111.3V97 D99 E113V97-M115 PolarHBondContact O-N 2.91Å; D99-M115 HydrophobicContact CB-SD 3.77Å; E113-M115 PolarHBondContact O-N 3.3Å
116Q95.7Very high94.6Very high47 Ų4777.4 Ų77.422%0.2239%0.385CS..EExtended strand (participates in β ladder)trans-146.8145.6178.9-167.954-78.300113.1V97 P114 L118 I156V97-Q116 HydrophobicContact CB-CB 4.12Å; V97-Q116 HydrophobicContact CG2-CB 4.2Å; V97-Q116 PolarHBondContact N-O 2.81Å; V97-Q116 PolarHBondContact O-N 3.09Å; P114-Q116 PolarHBondContact O-N 2.83Å; Q116-L118 HydrophobicContact CG-CD2 3.53Å; Q116-L118 HydrophobicContact CG-CG 4.1Å; Q116-I156 PolarHBondContact NE2-O 3.06Å; Q116-I156 VanDerWaalsContact NE2-O 3.1Å
117K96.1Very high94.8Very high114 Ų11474.8 Ų74.850%0.49637%0.367SS..EExtended strand (participates in β ladder)trans-119.1110.5174-63.7177.7-171168.80109.7I94 I95 P114I94-K117 HydrophobicContact CG2-CB 4.07Å; I95-K117 CarbonylContact O-C 3.53Å; I95-K117 WeakPolarHBondContact O-CA 3.49Å; P114-K117 HydrophobicContact CB-CG 4.37Å; P114-K117 HydrophobicContact CG-CD 4.17Å; P114-K117 HydrophobicContact CG-CG 3.79Å
118L97.1Very high94.9Very high2 Ų279.2 Ų79.21%0.0138%0.382CS..EExtended strand (participates in β ladder)trans-103.9130.6-178.2-51.9175.2000110.6I94 I95 V97 Q116 I139 W152I94-L118 WeakPolarHBondContact CA-O 3.31Å; I95-L118 HydrophobicContact CB-CB 4.21Å; I95-L118 PolarHBondContact N-O 2.78Å; I95-L118 PolarHBondContact O-N 2.7Å; V97-L118 HydrophobicContact CG2-CD1 4.39Å; Q116-L118 HydrophobicContact CG-CD2 3.53Å; Q116-L118 HydrophobicContact CG-CG 4.1Å; L118-I139 HydrophobicContact CD1-CB 4.16Å; L118-I139 HydrophobicContact CD1-CD1 3.8Å; L118-I139 HydrophobicContact CD1-CG2 4.18Å; L118-W152 HydrophobicContact CB-CD2 4.39Å; L118-W152 HydrophobicContact CD1-CB 3.92Å; L118-W152 HydrophobicContact CD1-CD2 4.21Å; L118-W152 HydrophobicContact CD1-CE3 4.38Å; L118-W152 HydrophobicContact CD1-CG 4.04Å; L118-W152 HydrophobicContact CD2-CB 4.04Å; L118-W152 HydrophobicContact CD2-CG 3.89Å; L118-W152 HydrophobicContact CG-CG 4.39Å
119Q96.4Very high95Very high79 Ų7973.9 Ų73.937%0.36936%0.363SS..  trans-156.9157.2177.159.6178.9-24.600111.6I94 L121I94-Q119 HydrophobicContact CG1-CB 4.23Å; Q119-L121 HydrophobicContact CG-CD2 3.89Å; Q119-L121 HydrophobicContact CG-CG 4.17Å; Q119-L121 VanDerWaalsContact NE2-CD2 3.33Å; Q119-L121 PolarHBondContact O-N 2.95Å
120D95.6Very high95.2Very high14 Ų1468.5 Ų68.58%0.07533%0.334CS..  trans-86.195.4167.8179.9-8.4000108.7V122 N123 R124 T125 W127 Y150D120-V122 PolarHBondContact O-N 2.75Å; D120-V122 PolarHBondContact OD1-N 2.8Å; D120-N123 PolarHBondContact OD1-N 2.84Å; D120-N123 WeakPolarHBondContact OD2-CB 3.48Å; D120-N123 PolarHBondContact OD2-ND2 3.4Å; D120-N123 VanDerWaalsContact OD2-ND2 3.08Å; D120-R124 WeakPolarHBondContact O-CA 3.49Å; D120-R124 PolarHBondContact O-N 3.4Å; D120-T125 PolarHBondContact OD2-OG1 3.31Å; D120-W127 HydrophobicContact CB-CH2 4.05Å; D120-W127 HydrophobicContact CB-CZ2 3.95Å; D120-Y150 HydrophobicContact CB-CE1 4.37Å; D120-Y150 PolarHBondContact OD2-OH 3.25Å; D120-Y150 VanDerWaalsContact OD2-OH 3.11Å
121L93.1Very high95.5Very high130 Ų13068.6 Ų68.668%0.68133%0.332SS*.THydrogen-bonded Turntrans-62.1-26.3-179.5-70.9172.2000113Q119Q119-L121 HydrophobicContact CG-CD2 3.89Å; Q119-L121 HydrophobicContact CG-CG 4.17Å; Q119-L121 VanDerWaalsContact NE2-CD2 3.33Å; Q119-L121 PolarHBondContact O-N 2.95Å
122V93.9Very high95.6Very high125 Ų12560.9 Ų60.976%0.75830%0.296SS*.THydrogen-bonded Turntrans-85-61.7-174.2-178.30000110.3D120D120-V122 PolarHBondContact O-N 2.75Å; D120-V122 PolarHBondContact OD1-N 2.8Å
123N92.9Very high95.7Very high88 Ų8860.7 Ų60.747%0.47130%0.295SS..THydrogen-bonded Turntrans-93-8.9-173.5-49.3-66.4000113.3D120 T125D120-N123 PolarHBondContact OD1-N 2.84Å; D120-N123 WeakPolarHBondContact OD2-CB 3.48Å; D120-N123 PolarHBondContact OD2-ND2 3.4Å; D120-N123 VanDerWaalsContact OD2-ND2 3.08Å; N123-T125 VanDerWaalsContact C-N 3.28Å; N123-T125 WeakPolarHBondContact CB-OG1 3.32Å; N123-T125 PolarHBondContact O-N 3.21Å
124R94.2Very high95.4Very high174 Ų17454.2 Ų54.266%0.65727%0.269SS*.  trans49.952.2-175.5-57.9-175.1178.5-164.9-0.6110.9R93 D120R93-R124 WeakPolarHBondContact CD-O 3.42Å; R93-R124 PolarHBondContact NH1-O 2.8Å; D120-R124 WeakPolarHBondContact O-CA 3.49Å; D120-R124 PolarHBondContact O-N 3.4Å
125T95.3Very high95.1Very high5 Ų556.5 Ų56.53%0.03128%0.28CS..PPolyproline II helixtrans-74.8127.4-173.4-610000111.1D120 N123 W127 S143D120-T125 PolarHBondContact OD2-OG1 3.31Å; N123-T125 VanDerWaalsContact C-N 3.28Å; N123-T125 WeakPolarHBondContact CB-OG1 3.32Å; N123-T125 PolarHBondContact O-N 3.21Å; T125-W127 HydrophobicContact CG2-CH2 4.46Å; T125-W127 HydrophobicContact CG2-CZ3 4.33Å; T125-S143 WeakPolarHBondContact CG2-OG 3.47Å
126P96.6Very high95Very high30 Ų3051.8 Ų51.820%0.19526%0.257CS..PPolyproline II helixtrans-76.1145.8170.729.7-31.6000111.6R93 A144 R145R93-P126 HydrophobicContact CG-CB 4.17Å; P126-A144 HydrophobicContact CG-CB 4.24Å; P126-A144 WeakPolarHBondContact O-CB 3.35Å; P126-A144 PolarHBondContact O-N 2.95Å; P126-R145 HydrophobicContact CG-CG 4.12Å
127W97.6Very high94.9Very high1 Ų153 Ų530%0.00426%0.262CS..EExtended strand (participates in β ladder)trans-98.2129.7-175.8-50.2110000112.5K75 N89 R93 I95 D120 T125 A141 G142 Y150 W152K75-W127 PolarHBondContact NZ-O 3.2Å; N89-W127 PolarHBondContact ND2-O 2.69Å; R93-W127 PolarHBondContact O-NE1 2.99Å; I95-W127 HydrophobicContact CD1-CB 4.5Å; I95-W127 HydrophobicContact CD1-CD2 4.09Å; I95-W127 HydrophobicContact CD1-CG 3.84Å; I95-W127 HydrophobicContact CG1-CG 4.09Å; D120-W127 HydrophobicContact CB-CH2 4.05Å; D120-W127 HydrophobicContact CB-CZ2 3.95Å; T125-W127 HydrophobicContact CG2-CH2 4.46Å; T125-W127 HydrophobicContact CG2-CZ3 4.33Å; W127-A141 HydrophobicContact CD2-CB 3.8Å; W127-A141 HydrophobicContact CE3-CB 3.42Å; W127-A141 VanDerWaalsContact CE3-CB 3.42Å; W127-A141 HydrophobicContact CG-CB 4.28Å; W127-A141 HydrophobicContact CZ3-CB 3.94Å; W127-G142 CarbonylContact C-O 3.53Å; W127-G142 WeakPolarHBondContact CA-O 3.22Å; W127-Y150 AromaticContact CH2-CD1 3.98Å; W127-Y150 HydrophobicContact CH2-CD1 3.98Å; W127-Y150 HydrophobicContact CH2-CD2 4.04Å; W127-Y150 HydrophobicContact CH2-CE1 4.29Å; W127-Y150 HydrophobicContact CH2-CE2 4.38Å; W127-Y150 AromaticContact CH2-CG 3.85Å; W127-Y150 HydrophobicContact CH2-CG 3.85Å; W127-Y150 HydrophobicContact CZ3-CD1 4.49Å; W127-Y150 AromaticContact CZ3-CD2 3.75Å; W127-Y150 HydrophobicContact CZ3-CD2 3.75Å; W127-Y150 HydrophobicContact CZ3-CE2 4.25Å; W127-Y150 AromaticContact CZ3-CG 3.9Å; W127-Y150 HydrophobicContact CZ3-CG 3.9Å; W127-W152 AromaticContact CH2-CH2 3.4Å; W127-W152 HydrophobicContact CH2-CH2 3.4Å; W127-W152 VanDerWaalsContact CH2-CH2 3.4Å; W127-W152 HydrophobicContact CH2-CZ2 4.01Å; W127-W152 HydrophobicContact CH2-CZ3 4.49Å; W127-W152 AromaticContact CZ2-CH2 3.64Å; W127-W152 HydrophobicContact CZ2-CH2 3.64Å; W127-W152 HydrophobicContact CZ2-CZ2 4.07Å; W127-W152 AromaticContact CZ3-CH2 3.88Å; W127-W152 HydrophobicContact CZ3-CH2 3.88Å
128K96.8Very high94.9Very high109 Ų10951.9 Ų51.947%0.47426%0.255SS..EExtended strand (participates in β ladder)trans-82.6-52.5179.3-17959.7175.5175.10111.9G142 A144 L172K128-G142 PolarHBondContact N-O 2.91Å; K128-A144 HydrophobicContact CB-CB 3.87Å; K128-L172 WeakPolarHBondContact CG-O 3.29Å
129K97.2Very high94.9Very high48 Ų4851.8 Ų51.821%0.20926%0.255CS..EExtended strand (participates in β ladder)trans-140.6145.2178.6-179.868.1168.4-81.40108.3E78 G142 D173 V174E78-K129 WeakPolarHBondContact OE1-CE 3.4Å; K129-G142 PolarHBondContact O-N 3.43Å; K129-D173 VanDerWaalsContact CG-OD1 3.24Å; K129-D173 WeakPolarHBondContact CG-OD1 3.19Å; K129-D173 IonicContact NZ-OD1 3.23Å; K129-D173 PolarHBondContact NZ-OD1 2.83Å; K129-D173 IonicContact NZ-OD2 2.89Å; K129-V174 HydrophobicContact CB-CB 4.44Å; K129-V174 HydrophobicContact CB-CG2 4.46Å; K129-V174 HydrophobicContact CG-CB 4.22Å
130C97.5Very high95Very high0 Ų048 Ų480%024%0.237CC..EExtended strand (participates in β ladder)trans-130.8152.2171.6-46.90000108.2L87 I95 V140 A141L87-C130 HydrophobicContact CD1-CB 3.83Å; L87-C130 HydrophobicContact CD2-CB 4.2Å; I95-C130 HydrophobicContact CD1-CB 4.46Å; I95-C130 WeakPolarHBondContact CD1-SG 3.34Å; C130-V140 CarbonylContact C-O 3.55Å; C130-V140 WeakPolarHBondContact CA-O 3.42Å; C130-A141 HydrophobicContact CB-CB 4.4Å
131C96.9Very high95.1Very high15 Ų1547.3 Ų47.310%0.10123%0.234CC..EExtended strand (participates in β ladder)trans-154.3158.4169.752.10000110.5V140C131-V140 PolarHBondContact N-O 3.14Å; C131-V140 PolarHBondContact O-N 3.3Å; C131-V140 WeakPolarHBondContact SG-CG1 3.25Å
132F97.1Very high95.4Very high14 Ų1441.1 Ų41.16%0.06120%0.201CC..EExtended strand (participates in β ladder)trans-79.4157.3172.3-75.2-85.2000111.1E78 A80 L87 V97 Y138 I139 W176E78-F132 WeakPolarHBondContact O-CE2 3.28Å; A80-F132 HydrophobicContact CB-CB 4.37Å; A80-F132 HydrophobicContact CB-CD1 4.03Å; A80-F132 HydrophobicContact CB-CD2 3.99Å; A80-F132 HydrophobicContact CB-CE1 4.29Å; A80-F132 HydrophobicContact CB-CE2 4.25Å; A80-F132 HydrophobicContact CB-CG 3.87Å; A80-F132 HydrophobicContact CB-CZ 4.39Å; L87-F132 HydrophobicContact CB-CE2 3.86Å; L87-F132 HydrophobicContact CB-CZ 3.88Å; L87-F132 HydrophobicContact CD2-CD2 3.84Å; L87-F132 HydrophobicContact CD2-CE1 4.48Å; L87-F132 HydrophobicContact CD2-CE2 3.51Å; L87-F132 HydrophobicContact CD2-CG 4.46Å; L87-F132 HydrophobicContact CD2-CZ 3.87Å; L87-F132 HydrophobicContact CG-CD2 4.24Å; L87-F132 HydrophobicContact CG-CE2 3.56Å; L87-F132 HydrophobicContact CG-CZ 4.05Å; V97-F132 HydrophobicContact CG1-CZ 4.38Å; F132-Y138 CarbonylContact C-O 3.58Å; F132-Y138 WeakPolarHBondContact CA-O 3.46Å; F132-I139 HydrophobicContact CD1-CD1 4.24Å; F132-I139 HydrophobicContact CD1-CG1 3.64Å; F132-I139 HydrophobicContact CE1-CD1 3.64Å; F132-I139 HydrophobicContact CE1-CG1 3.58Å; F132-I139 HydrophobicContact CG-CG1 4.48Å; F132-I139 HydrophobicContact CZ-CD1 4.18Å; F132-I139 HydrophobicContact CZ-CG1 4.38Å; F132-W176 WeakPolarHBondContact O-CB 3.47Å
133S95.1Very high95.5Very high4 Ų435.2 Ų35.23%0.02817%0.165CC..  trans-64.2167.2158.4570000111.2D135 G136 E137 Y138S133-D135 VanDerWaalsContact C-N 3.33Å; S133-D135 VanDerWaalsContact CB-OD1 3.29Å; S133-D135 WeakPolarHBondContact CB-OD1 3.4Å; S133-D135 PolarHBondContact O-N 3.41Å; S133-D135 PolarHBondContact OG-OD1 3.12Å; S133-G136 PolarHBondContact O-N 3.48Å; S133-G136 VanDerWaalsContact O-N 3.12Å; S133-G136 PolarHBondContact OG-N 2.77Å; S133-E137 PolarHBondContact OG-N 3.48Å; S133-Y138 PolarHBondContact N-O 2.97Å; S133-Y138 PolarHBondContact OG-N 2.92Å; S133-Y138 PolarHBondContact OG-O 3.39Å
134G89.1Confident95.6Very high15 Ų1532.8 Ų32.816%0.15516%0.158CC..THydrogen-bonded Turntrans-53.8-45.9178.100000114.6G136 P178G134-G136 VanDerWaalsContact C-N 3.34Å; G134-P178 WeakPolarHBondContact CA-O 3.28Å
135D88.6Confident95.6Very high74 Ų7431.2 Ų31.240%0.39615%0.152SC..THydrogen-bonded Turntrans-80.9-10.4178.358.7-0.2000114.1K82 S133 E137K82-D135 WeakPolarHBondContact CB-O 3.34Å; S133-D135 VanDerWaalsContact C-N 3.33Å; S133-D135 VanDerWaalsContact CB-OD1 3.29Å; S133-D135 WeakPolarHBondContact CB-OD1 3.4Å; S133-D135 PolarHBondContact O-N 3.41Å; S133-D135 PolarHBondContact OG-OD1 3.12Å; D135-E137 VanDerWaalsContact C-N 3.32Å; D135-E137 PolarHBondContact OD1-N 2.96Å; D135-E137 VanDerWaalsContact OD1-N 3.15Å
136G91.9Very high95.5Very high0 Ų034.9 Ų34.90%017%0.169CC..SBendtrans78.95.7-17800000115.4S133 G134 K154S133-G136 PolarHBondContact O-N 3.48Å; S133-G136 VanDerWaalsContact O-N 3.12Å; S133-G136 PolarHBondContact OG-N 2.77Å; G134-G136 VanDerWaalsContact C-N 3.34Å; G136-K154 WeakPolarHBondContact O-CD 3.31Å
137E93.4Very high95.5Very high73 Ų7333.8 Ų33.834%0.34116%0.161SC..SBendtrans-87.5-22.1-177.1-68.6-55118.900113.8S133 D135 K154S133-E137 PolarHBondContact OG-N 3.48Å; D135-E137 VanDerWaalsContact C-N 3.32Å; D135-E137 PolarHBondContact OD1-N 2.96Å; D135-E137 VanDerWaalsContact OD1-N 3.15Å; E137-K154 WeakPolarHBondContact O-CB 3.44Å; E137-K154 PolarHBondContact O-N 3.11Å; E137-K154 IonicContact OE1-NZ 3.74Å; E137-K154 PolarHBondContact OE1-NZ 2.83Å
138Y96.6Very high95.4Very high89 Ų8933.8 Ų33.835%0.34916%0.161SC..EExtended strand (participates in β ladder)trans-116.3151.8174.7-59-83.6000111.5F132 S133 I151 W152 E153 V160F132-Y138 CarbonylContact C-O 3.58Å; F132-Y138 WeakPolarHBondContact CA-O 3.46Å; S133-Y138 PolarHBondContact N-O 2.97Å; S133-Y138 PolarHBondContact OG-N 2.92Å; S133-Y138 PolarHBondContact OG-O 3.39Å; Y138-I151 HydrophobicContact CD1-CG2 4.3Å; Y138-W152 CarbonylContact C-O 3.58Å; Y138-W152 VanDerWaalsContact CA-O 3.28Å; Y138-W152 WeakPolarHBondContact CA-O 3.24Å; Y138-E153 HydrophobicContact CD1-CB 4.4Å; Y138-E153 HydrophobicContact CE1-CB 4.3Å; Y138-E153 HydrophobicContact CE1-CG 4.33Å; Y138-V160 HydrophobicContact CD1-CG2 4.4Å; Y138-V160 HydrophobicContact CE1-CG2 4.19Å
139I98.1Very high95.5Very high0 Ų028.6 Ų28.60%014%0.138CC..EExtended strand (participates in β ladder)trans-124.6125.8174.9-63.8169.8000107.8L87 V97 L118 F132 I151 W152L87-I139 HydrophobicContact CD2-CD1 4.41Å; L87-I139 HydrophobicContact CD2-CG1 4.37Å; L87-I139 HydrophobicContact CD2-CG2 3.72Å; V97-I139 HydrophobicContact CG1-CD1 4.47Å; V97-I139 HydrophobicContact CG2-CD1 3.45Å; V97-I139 VanDerWaalsContact CG2-CD1 3.45Å; L118-I139 HydrophobicContact CD1-CB 4.16Å; L118-I139 HydrophobicContact CD1-CD1 3.8Å; L118-I139 HydrophobicContact CD1-CG2 4.18Å; F132-I139 HydrophobicContact CD1-CD1 4.24Å; F132-I139 HydrophobicContact CD1-CG1 3.64Å; F132-I139 HydrophobicContact CE1-CD1 3.64Å; F132-I139 HydrophobicContact CE1-CG1 3.58Å; F132-I139 HydrophobicContact CG-CG1 4.48Å; F132-I139 HydrophobicContact CZ-CD1 4.18Å; F132-I139 HydrophobicContact CZ-CG1 4.38Å; I139-I151 WeakPolarHBondContact O-CA 3.47Å; I139-W152 PolarHBondContact N-O 2.79Å; I139-W152 PolarHBondContact O-N 3.28Å
140V98.2Very high95.5Very high0 Ų026.6 Ų26.60%013%0.13CC..EExtended strand (participates in β ladder)trans-100.7134.6169670000110.1C130 C131 L149 Y150 I151 V174 W176 I183C130-V140 CarbonylContact C-O 3.55Å; C130-V140 WeakPolarHBondContact CA-O 3.42Å; C131-V140 PolarHBondContact N-O 3.14Å; C131-V140 PolarHBondContact O-N 3.3Å; C131-V140 WeakPolarHBondContact SG-CG1 3.25Å; V140-L149 HydrophobicContact CG2-CB 3.93Å; V140-Y150 CarbonylContact C-O 3.58Å; V140-Y150 VanDerWaalsContact CA-O 3.28Å; V140-Y150 WeakPolarHBondContact CA-O 3.27Å; V140-I151 HydrophobicContact CB-CG1 4.42Å; V140-I151 HydrophobicContact CG2-CG1 4.12Å; V140-V174 HydrophobicContact CG1-CG1 3.88Å; V140-V174 HydrophobicContact CG2-CG1 4.27Å; V140-W176 HydrophobicContact CB-CE3 3.85Å; V140-W176 HydrophobicContact CB-CZ3 3.96Å; V140-W176 HydrophobicContact CG1-CE3 3.7Å; V140-W176 HydrophobicContact CG1-CZ3 4.34Å; V140-I183 HydrophobicContact CG2-CD1 4.33Å
141A98.2Very high95.6Very high0 Ų027.4 Ų27.40%013%0.134CC..EExtended strand (participates in β ladder)trans-124.5130.1168.700000111.4I95 W127 C130 Y150 W152I95-A141 HydrophobicContact CD1-CB 3.45Å; I95-A141 VanDerWaalsContact CD1-CB 3.45Å; W127-A141 HydrophobicContact CD2-CB 3.8Å; W127-A141 HydrophobicContact CE3-CB 3.42Å; W127-A141 VanDerWaalsContact CE3-CB 3.42Å; W127-A141 HydrophobicContact CG-CB 4.28Å; W127-A141 HydrophobicContact CZ3-CB 3.94Å; C130-A141 HydrophobicContact CB-CB 4.4Å; A141-Y150 PolarHBondContact N-O 2.8Å; A141-Y150 PolarHBondContact O-N 2.8Å; A141-W152 HydrophobicContact CB-CH2 4.04Å; A141-W152 HydrophobicContact CB-CZ3 3.5Å
142G97.8Very high95.6Very high0 Ų027.1 Ų27.10%013%0.131CC..EExtended strand (participates in β ladder)trans-86.6125.9175.600000112.1W127 K128 K129W127-G142 CarbonylContact C-O 3.53Å; W127-G142 WeakPolarHBondContact CA-O 3.22Å; K128-G142 PolarHBondContact N-O 2.91Å; K129-G142 PolarHBondContact O-N 3.43Å
143S96.8Very high95.6Very high0 Ų029 Ų290%014%0.139CC..EExtended strand (participates in β ladder)trans-65.4135.7174.41740000111.5T125 R145 Q146 A148 L171T125-S143 WeakPolarHBondContact CG2-OG 3.47Å; S143-R145 VanDerWaalsContact C-N 3.28Å; S143-R145 PolarHBondContact OG-N 2.94Å; S143-R145 VanDerWaalsContact OG-N 3.12Å; S143-Q146 WeakPolarHBondContact CB-O 3.48Å; S143-Q146 PolarHBondContact OG-N 2.99Å; S143-A148 WeakPolarHBondContact CB-O 3.5Å; S143-A148 PolarHBondContact N-O 3.39Å; S143-L171 WeakPolarHBondContact O-CB 3.28Å
144A95.1Very high95.6Very high38 Ų3830.5 Ų30.531%0.31415%0.146SC..SBendtrans-82.2-4.6172.800000113.5P126 K128P126-A144 HydrophobicContact CG-CB 4.24Å; P126-A144 WeakPolarHBondContact O-CB 3.35Å; P126-A144 PolarHBondContact O-N 2.95Å; K128-A144 HydrophobicContact CB-CB 3.87Å
145R93.5Very high95.7Very high140 Ų14033.2 Ų33.253%0.52816%0.162SC..SBendtrans-104.4-26.6-176.3-71.2-176.5175.3174.4-1.1113.8P126 S143 L170P126-R145 HydrophobicContact CG-CG 4.12Å; S143-R145 VanDerWaalsContact C-N 3.28Å; S143-R145 PolarHBondContact OG-N 2.94Å; S143-R145 VanDerWaalsContact OG-N 3.12Å; R145-L170 WeakPolarHBondContact O-CD2 3.3Å
146Q93.8Very high95.9Very high83 Ų8334.5 Ų34.539%0.38817%0.168SC..SBendtrans-151.2157.7-175.659.2-177.67.800109.4S143 A148 E169S143-Q146 WeakPolarHBondContact CB-O 3.48Å; S143-Q146 PolarHBondContact OG-N 2.99Å; Q146-A148 HydrophobicContact CG-CB 3.77Å; Q146-A148 PolarHBondContact O-N 2.93Å; Q146-E169 CarbonylContact C-O 3.45Å
147H96Very high95.9Very high7 Ų735.2 Ų35.23%0.03218%0.176CC..SBendtrans-69.876.2168.7-168.7-178.5000110.4G165 T166 E169 S185 S187 W194H147-G165 WeakPolarHBondContact O-CA 3.49Å; H147-G165 PolarHBondContact O-N 2.79Å; H147-T166 PolarHBondContact ND1-N 2.8Å; H147-E169 HydrophobicContact CB-CB 4.19Å; H147-E169 PolarHBondContact N-O 2.93Å; H147-E169 IonicContact ND1-OE2 2.78Å; H147-S185 PolarHBondContact NE2-OG 2.8Å; H147-S187 PolarHBondContact CE1-OG 2.81Å; H147-S187 PolarHBondContact ND1-OG 2.88Å; H147-W194 AromaticContact NE2-CZ2 3.96Å
148A96.8Very high96Very high0 Ų036.2 Ų36.20%018%0.183CC..EExtended strand (participates in β ladder)trans-137.7136.2174.200000110.6S143 Q146 Y150 I162 L163S143-A148 WeakPolarHBondContact CB-O 3.5Å; S143-A148 PolarHBondContact N-O 3.39Å; Q146-A148 HydrophobicContact CG-CB 3.77Å; Q146-A148 PolarHBondContact O-N 2.93Å; A148-Y150 HydrophobicContact CB-CE2 4.06Å; A148-I162 HydrophobicContact CB-CG2 4.43Å; A148-L163 CarbonylContact C-O 3.56Å; A148-L163 VanDerWaalsContact CA-O 3.26Å; A148-L163 WeakPolarHBondContact CA-O 3.5Å
149L97.9Very high96Very high0 Ų035.9 Ų35.90%019%0.187CC..EExtended strand (participates in β ladder)trans-111.6133.2176.3-49.1178.6000108.7V140 I162 L163 L171 V174 I183 W194V140-L149 HydrophobicContact CG2-CB 3.93Å; L149-I162 CarbonylContact O-C 3.6Å; L149-I162 VanDerWaalsContact O-CA 3.32Å; L149-I162 WeakPolarHBondContact O-CA 3.41Å; L149-L163 HydrophobicContact CB-CB 4.17Å; L149-L163 HydrophobicContact CD1-CD1 4.34Å; L149-L163 PolarHBondContact N-O 2.97Å; L149-L163 PolarHBondContact O-N 2.81Å; L149-L171 HydrophobicContact CD2-CD1 4.08Å; L149-L171 HydrophobicContact CD2-CD2 3.65Å; L149-V174 HydrophobicContact CD2-CG1 4.31Å; L149-V174 HydrophobicContact CD2-CG2 3.55Å; L149-I183 HydrophobicContact CD1-CG2 3.93Å; L149-W194 HydrophobicContact CD1-CG 4.5Å
150Y98.1Very high95.9Very high7 Ų739.9 Ų39.93%0.02721%0.211CC..EExtended strand (participates in β ladder)trans-111.3131.9178.2-72.6-122.2000107.4D120 W127 V140 A141 A148 W152 L159 I162D120-Y150 HydrophobicContact CB-CE1 4.37Å; D120-Y150 PolarHBondContact OD2-OH 3.25Å; D120-Y150 VanDerWaalsContact OD2-OH 3.11Å; W127-Y150 AromaticContact CH2-CD1 3.98Å; W127-Y150 HydrophobicContact CH2-CD1 3.98Å; W127-Y150 HydrophobicContact CH2-CD2 4.04Å; W127-Y150 HydrophobicContact CH2-CE1 4.29Å; W127-Y150 HydrophobicContact CH2-CE2 4.38Å; W127-Y150 AromaticContact CH2-CG 3.85Å; W127-Y150 HydrophobicContact CH2-CG 3.85Å; W127-Y150 HydrophobicContact CZ3-CD1 4.49Å; W127-Y150 AromaticContact CZ3-CD2 3.75Å; W127-Y150 HydrophobicContact CZ3-CD2 3.75Å; W127-Y150 HydrophobicContact CZ3-CE2 4.25Å; W127-Y150 AromaticContact CZ3-CG 3.9Å; W127-Y150 HydrophobicContact CZ3-CG 3.9Å; V140-Y150 CarbonylContact C-O 3.58Å; V140-Y150 VanDerWaalsContact CA-O 3.28Å; V140-Y150 WeakPolarHBondContact CA-O 3.27Å; A141-Y150 PolarHBondContact N-O 2.8Å; A141-Y150 PolarHBondContact O-N 2.8Å; A148-Y150 HydrophobicContact CB-CE2 4.06Å; Y150-W152 HydrophobicContact CD1-CH2 4.01Å; Y150-W152 AromaticContact CD1-CZ2 3.98Å; Y150-W152 HydrophobicContact CD1-CZ2 3.98Å; Y150-W152 AromaticContact CG-CH2 3.85Å; Y150-W152 HydrophobicContact CG-CH2 3.85Å; Y150-W152 HydrophobicContact CG-CZ2 4.28Å; Y150-W152 HydrophobicContact CG-CZ3 4.41Å; Y150-W152 VanDerWaalsContact O-CZ3 3.27Å; Y150-W152 WeakPolarHBondContact O-CZ3 3.31Å; Y150-L159 HydrophobicContact CD1-CD1 3.8Å; Y150-L159 HydrophobicContact CD1-CD2 4.19Å; Y150-L159 HydrophobicContact CG-CD1 4.33Å; Y150-I162 HydrophobicContact CD1-CD1 4.1Å; Y150-I162 HydrophobicContact CD1-CG1 3.99Å; Y150-I162 HydrophobicContact CD2-CG2 4.3Å; Y150-I162 HydrophobicContact CE1-CD1 3.69Å; Y150-I162 HydrophobicContact CE1-CG1 4.09Å; Y150-I162 HydrophobicContact CE2-CG2 4.14Å; Y150-I162 HydrophobicContact CG-CG1 4.33Å
151I98.1Very high95.8Very high17 Ų1745.9 Ų45.99%0.08724%0.237CC..EExtended strand (participates in β ladder)trans-117.2121.3-178.1-57.2174000107.9Y138 I139 V140 V160 K161 L163 W176 I183Y138-I151 HydrophobicContact CD1-CG2 4.3Å; I139-I151 WeakPolarHBondContact O-CA 3.47Å; V140-I151 HydrophobicContact CB-CG1 4.42Å; V140-I151 HydrophobicContact CG2-CG1 4.12Å; I151-V160 PolarHBondContact O-N 3.13Å; I151-K161 PolarHBondContact N-O 2.84Å; I151-K161 PolarHBondContact O-N 3.29Å; I151-L163 HydrophobicContact CD1-CD1 3.92Å; I151-L163 HydrophobicContact CD1-CG 4.21Å; I151-W176 HydrophobicContact CD1-CH2 4.41Å; I151-W176 HydrophobicContact CD1-CZ3 4.25Å; I151-W176 HydrophobicContact CG1-CZ3 4.4Å; I151-W176 HydrophobicContact CG2-CH2 4.39Å; I151-W176 HydrophobicContact CG2-CZ3 4.33Å; I151-I183 HydrophobicContact CD1-CD1 3.82Å; I151-I183 HydrophobicContact CG1-CD1 4.49Å
152W98.2Very high95.7Very high9 Ų948.7 Ų48.73%0.03425%0.252CS..EExtended strand (participates in β ladder)trans-112.1152173.4-65.2-97.9000110.9L118 W127 Y138 I139 A141 Y150 N158 L159L118-W152 HydrophobicContact CB-CD2 4.39Å; L118-W152 HydrophobicContact CD1-CB 3.92Å; L118-W152 HydrophobicContact CD1-CD2 4.21Å; L118-W152 HydrophobicContact CD1-CE3 4.38Å; L118-W152 HydrophobicContact CD1-CG 4.04Å; L118-W152 HydrophobicContact CD2-CB 4.04Å; L118-W152 HydrophobicContact CD2-CG 3.89Å; L118-W152 HydrophobicContact CG-CG 4.39Å; W127-W152 AromaticContact CH2-CH2 3.4Å; W127-W152 HydrophobicContact CH2-CH2 3.4Å; W127-W152 VanDerWaalsContact CH2-CH2 3.4Å; W127-W152 HydrophobicContact CH2-CZ2 4.01Å; W127-W152 HydrophobicContact CH2-CZ3 4.49Å; W127-W152 AromaticContact CZ2-CH2 3.64Å; W127-W152 HydrophobicContact CZ2-CH2 3.64Å; W127-W152 HydrophobicContact CZ2-CZ2 4.07Å; W127-W152 AromaticContact CZ3-CH2 3.88Å; W127-W152 HydrophobicContact CZ3-CH2 3.88Å; Y138-W152 CarbonylContact C-O 3.58Å; Y138-W152 VanDerWaalsContact CA-O 3.28Å; Y138-W152 WeakPolarHBondContact CA-O 3.24Å; I139-W152 PolarHBondContact N-O 2.79Å; I139-W152 PolarHBondContact O-N 3.28Å; A141-W152 HydrophobicContact CB-CH2 4.04Å; A141-W152 HydrophobicContact CB-CZ3 3.5Å; Y150-W152 HydrophobicContact CD1-CH2 4.01Å; Y150-W152 AromaticContact CD1-CZ2 3.98Å; Y150-W152 HydrophobicContact CD1-CZ2 3.98Å; Y150-W152 AromaticContact CG-CH2 3.85Å; Y150-W152 HydrophobicContact CG-CH2 3.85Å; Y150-W152 HydrophobicContact CG-CZ2 4.28Å; Y150-W152 HydrophobicContact CG-CZ3 4.41Å; Y150-W152 VanDerWaalsContact O-CZ3 3.27Å; Y150-W152 WeakPolarHBondContact O-CZ3 3.31Å; W152-N158 VanDerWaalsContact CA-O 3.26Å; W152-N158 WeakPolarHBondContact CA-O 3.35Å; W152-L159 HydrophobicContact CD2-CD1 3.99Å; W152-L159 HydrophobicContact CG-CD1 4.32Å; W152-L159 HydrophobicContact CZ2-CD1 4Å
153E96.7Very high95.6Very high52 Ų5249.9 Ų49.924%0.24326%0.258CS..EExtended strand (participates in β ladder)trans-82.3131.9163.3-169.9-177.2175.900109.4Y138 S155 G157 N158 V160Y138-E153 HydrophobicContact CD1-CB 4.4Å; Y138-E153 HydrophobicContact CE1-CB 4.3Å; Y138-E153 HydrophobicContact CE1-CG 4.33Å; E153-S155 WeakPolarHBondContact CG-OG 3.27Å; E153-S155 PolarHBondContact OE1-OG 3.39Å; E153-G157 WeakPolarHBondContact O-CA 3.37Å; E153-G157 PolarHBondContact O-N 2.52Å; E153-N158 PolarHBondContact N-O 2.9Å; E153-V160 HydrophobicContact CB-CG2 3.97Å
154K93.8Very high95.6Very high37 Ų3756 Ų5616%0.16129%0.286CS..THydrogen-bonded Turntrans-68.1-44.7-176.7171.4-168.4145.6-154.40112.4C85 G136 E137C85-K154 WeakPolarHBondContact SG-CE 3.03Å; C85-K154 PolarHBondContact SG-NZ 2.89Å; G136-K154 WeakPolarHBondContact O-CD 3.31Å; E137-K154 WeakPolarHBondContact O-CB 3.44Å; E137-K154 PolarHBondContact O-N 3.11Å; E137-K154 IonicContact OE1-NZ 3.74Å; E137-K154 PolarHBondContact OE1-NZ 2.83Å
155S91.9Very high95.5Very high72 Ų7255.2 Ų55.250%0.50328%0.282SS..THydrogen-bonded Turntrans-61.9-53.9-173.856.70000111.7E153E153-S155 WeakPolarHBondContact CG-OG 3.27Å; E153-S155 PolarHBondContact OE1-OG 3.39Å
156I92.8Very high95.5Very high100 Ų10052.3 Ų52.351%0.51328%0.28SS..THydrogen-bonded Turntrans-91.1-29.6-176.5-50.2176.8000111.4Q116 N158Q116-I156 PolarHBondContact NE2-O 3.06Å; Q116-I156 VanDerWaalsContact NE2-O 3.1Å; I156-N158 VanDerWaalsContact C-N 3.33Å; I156-N158 HydrophobicContact CG2-CB 4.41Å; I156-N158 VanDerWaalsContact CG2-ND2 3.28Å; I156-N158 WeakPolarHBondContact CG2-ND2 3.43Å
157G92.4Very high95.5Very high16 Ų1660.3 Ų60.317%0.16531%0.306CS..  trans80.610.7-173.800000114.9E153E153-G157 WeakPolarHBondContact O-CA 3.37Å; E153-G157 PolarHBondContact O-N 2.52Å
158N94.7Very high95.2Very high94 Ų9463.7 Ų63.750%0.50334%0.343SS..  trans-75.3142.5-179.9-75.1-17.9000111.2W152 E153 I156 V160W152-N158 VanDerWaalsContact CA-O 3.26Å; W152-N158 WeakPolarHBondContact CA-O 3.35Å; E153-N158 PolarHBondContact N-O 2.9Å; I156-N158 VanDerWaalsContact C-N 3.33Å; I156-N158 HydrophobicContact CG2-CB 4.41Å; I156-N158 VanDerWaalsContact CG2-ND2 3.28Å; I156-N158 WeakPolarHBondContact CG2-ND2 3.43Å; N158-V160 PolarHBondContact O-N 2.66Å
159L96.6Very high95Very high82 Ų8265.6 Ų65.643%0.42935%0.352SS..EExtended strand (participates in β ladder)trans-74.9111.9171.4-179.469.2000108.6Y150 W152 I162Y150-L159 HydrophobicContact CD1-CD1 3.8Å; Y150-L159 HydrophobicContact CD1-CD2 4.19Å; Y150-L159 HydrophobicContact CG-CD1 4.33Å; W152-L159 HydrophobicContact CD2-CD1 3.99Å; W152-L159 HydrophobicContact CG-CD1 4.32Å; W152-L159 HydrophobicContact CZ2-CD1 4Å; L159-I162 HydrophobicContact CD1-CG1 4.43Å; L159-I162 HydrophobicContact CD2-CD1 4Å; L159-I162 HydrophobicContact CD2-CG1 3.97Å; L159-I162 HydrophobicContact CG-CG1 4.5Å
160V96.1Very high94.8Very high83 Ų8370.6 Ų70.650%0.50338%0.378SS..EExtended strand (participates in β ladder)trans-81.6-50.3-177.1-179.30000110.5Y138 I151 E153 N158Y138-V160 HydrophobicContact CD1-CG2 4.4Å; Y138-V160 HydrophobicContact CE1-CG2 4.19Å; I151-V160 PolarHBondContact O-N 3.13Å; E153-V160 HydrophobicContact CB-CG2 3.97Å; N158-V160 PolarHBondContact O-N 2.66Å
161K95.7Very high94.7Very high127 Ų12770.5 Ų70.555%0.55238%0.378SS*.EExtended strand (participates in β ladder)trans-153.7150.2-174.3-162.7164.9-175.6171.50112.3I151 L163I151-K161 PolarHBondContact N-O 2.84Å; I151-K161 PolarHBondContact O-N 3.29Å; K161-L163 HydrophobicContact CD-CD2 3.98Å; K161-L163 HydrophobicContact CG-CD2 4.13Å
162I96.8Very high94.6Very high59 Ų5974.1 Ų74.130%0.30340%0.397SS..EExtended strand (participates in β ladder)trans-113.7124.8166.3-54.3175.8000108A148 L149 Y150 L159A148-I162 HydrophobicContact CB-CG2 4.43Å; L149-I162 CarbonylContact O-C 3.6Å; L149-I162 VanDerWaalsContact O-CA 3.32Å; L149-I162 WeakPolarHBondContact O-CA 3.41Å; Y150-I162 HydrophobicContact CD1-CD1 4.1Å; Y150-I162 HydrophobicContact CD1-CG1 3.99Å; Y150-I162 HydrophobicContact CD2-CG2 4.3Å; Y150-I162 HydrophobicContact CE1-CD1 3.69Å; Y150-I162 HydrophobicContact CE1-CG1 4.09Å; Y150-I162 HydrophobicContact CE2-CG2 4.14Å; Y150-I162 HydrophobicContact CG-CG1 4.33Å; L159-I162 HydrophobicContact CD1-CG1 4.43Å; L159-I162 HydrophobicContact CD2-CD1 4Å; L159-I162 HydrophobicContact CD2-CG1 3.97Å; L159-I162 HydrophobicContact CG-CG1 4.5Å
163L96.9Very high94.6Very high25 Ų2576.6 Ų76.613%0.13141%0.411CS..EExtended strand (participates in β ladder)trans-98.3122.6172.8-54.8178000108.7A148 L149 I151 K161 I183 W194A148-L163 CarbonylContact C-O 3.56Å; A148-L163 VanDerWaalsContact CA-O 3.26Å; A148-L163 WeakPolarHBondContact CA-O 3.5Å; L149-L163 HydrophobicContact CB-CB 4.17Å; L149-L163 HydrophobicContact CD1-CD1 4.34Å; L149-L163 PolarHBondContact N-O 2.97Å; L149-L163 PolarHBondContact O-N 2.81Å; I151-L163 HydrophobicContact CD1-CD1 3.92Å; I151-L163 HydrophobicContact CD1-CG 4.21Å; K161-L163 HydrophobicContact CD-CD2 3.98Å; K161-L163 HydrophobicContact CG-CD2 4.13Å; L163-I183 HydrophobicContact CD1-CD1 4.09Å; L163-W194 HydrophobicContact CB-CD2 4.35Å; L163-W194 HydrophobicContact CB-CE3 3.97Å; L163-W194 HydrophobicContact CB-CH2 4.41Å; L163-W194 HydrophobicContact CB-CZ3 4Å; L163-W194 HydrophobicContact CD1-CB 4.02Å; L163-W194 HydrophobicContact CD1-CD2 3.98Å; L163-W194 HydrophobicContact CD1-CE3 3.99Å; L163-W194 HydrophobicContact CD1-CG 3.99Å; L163-W194 HydrophobicContact CD2-CE3 4.43Å; L163-W194 HydrophobicContact CG-CE3 4.36Å
164H96.3Very high94.6Very high128 Ų12874.2 Ų74.259%0.59340%0.4SS*.EExtended strand (participates in β ladder)trans-101.4115179.2-68.5-71.9000110.1W194H164-W194 WeakPolarHBondContact O-CH2 3.09Å
165G92.6Very high94.8Very high21 Ų2175 Ų7522%0.21641%0.414CS..  trans-82.6-166.8169.500000112.6H147 R167H147-G165 WeakPolarHBondContact O-CA 3.49Å; H147-G165 PolarHBondContact O-N 2.79Å; G165-R167 PolarHBondContact O-N 2.81Å
166T93.8Very high95Very high80 Ų8073.4 Ų73.449%0.49140%0.397SS..SBendtrans-57.2123.8-179.1-48.50000111.3H147 G168 E169H147-T166 PolarHBondContact ND1-N 2.8Å; T166-G168 PolarHBondContact O-N 2.67Å; T166-E169 WeakPolarHBondContact CB-OE2 3.41Å; T166-E169 HydrophobicContact CG2-CG 3.96Å; T166-E169 PolarHBondContact O-N 3.04Å
167R92.8Very high95Very high250 Ų25072 Ų7294%0.94339%0.388SS*.THydrogen-bonded Turntrans-64.1133-178.6-175178178.8172.60.9110.8G165 E169G165-R167 PolarHBondContact O-N 2.81Å; R167-E169 VanDerWaalsContact C-N 3.35Å
168G89.8Confident94.8Very high79 Ų7972.9 Ų72.981%0.81439%0.391SS*.THydrogen-bonded Turntrans91.4-6178.400000114.1T166T166-G168 PolarHBondContact O-N 2.67Å
169E93.9Very high94.4Very high40 Ų4071.1 Ų71.119%0.18738%0.384CS..PPolyproline II helixtrans-88.1153.1174.1-57.4-161.9135.800112.3Q146 H147 T166 R167 S187 S188Q146-E169 CarbonylContact C-O 3.45Å; H147-E169 HydrophobicContact CB-CB 4.19Å; H147-E169 PolarHBondContact N-O 2.93Å; H147-E169 IonicContact ND1-OE2 2.78Å; T166-E169 WeakPolarHBondContact CB-OE2 3.41Å; T166-E169 HydrophobicContact CG2-CG 3.96Å; T166-E169 PolarHBondContact O-N 3.04Å; R167-E169 VanDerWaalsContact C-N 3.35Å; E169-S187 WeakPolarHBondContact OE2-CB 3.43Å; E169-S187 PolarHBondContact OE2-OG 3.25Å; E169-S188 VanDerWaalsContact OE1-CB 3.3Å; E169-S188 WeakPolarHBondContact OE1-CB 3.41Å; E169-S188 PolarHBondContact OE1-OG 3.41Å
170L93.6Very high94.1Very high104 Ų10474.8 Ų74.855%0.54539%0.392SS..PPolyproline II helixtrans-101.8132.3173.8-63.2179.2000109.7R145 S187R145-L170 WeakPolarHBondContact O-CD2 3.3Å; L170-S187 WeakPolarHBondContact O-CB 3.38Å
171L96.3Very high93.9Very high5 Ų574.4 Ų74.43%0.02639%0.391CS..EExtended strand (participates in β ladder)trans-74133.6174.1-174.273000110.4S143 L149 V174S143-L171 WeakPolarHBondContact O-CB 3.28Å; L149-L171 HydrophobicContact CD2-CD1 4.08Å; L149-L171 HydrophobicContact CD2-CD2 3.65Å; L171-V174 HydrophobicContact CD1-CG2 4.07Å; L171-V174 HydrophobicContact CD2-CG2 3.63Å; L171-V174 HydrophobicContact CG-CG2 4.16Å
172L95.9Very high93.9Very high93 Ų9370.4 Ų70.449%0.48738%0.375SS..EExtended strand (participates in β ladder)trans-101.9-50.4178-62.4179.4000111.6K128 I186K128-L172 WeakPolarHBondContact CG-O 3.29Å; L172-I186 HydrophobicContact CB-CB 4.48Å; L172-I186 HydrophobicContact CB-CG2 4.43Å; L172-I186 HydrophobicContact CD1-CG2 4.35Å; L172-I186 PolarHBondContact N-O 3.38Å
173D96.9Very high93.9Very high62 Ų6267.9 Ų67.933%0.33236%0.362SS..EExtended strand (participates in β ladder)trans-149.3161.1-175.9-156.911.1000112.3K129 S185 I186K129-D173 VanDerWaalsContact CG-OD1 3.24Å; K129-D173 WeakPolarHBondContact CG-OD1 3.19Å; K129-D173 IonicContact NZ-OD1 3.23Å; K129-D173 PolarHBondContact NZ-OD1 2.83Å; K129-D173 IonicContact NZ-OD2 2.89Å; D173-S185 WeakPolarHBondContact O-CA 3.4Å; D173-I186 HydrophobicContact CB-CB 4.49Å; D173-I186 HydrophobicContact CB-CD1 4.33Å; D173-I186 HydrophobicContact CB-CG1 4.48Å; D173-I186 PolarHBondContact O-N 3.24Å
174V97.6Very high94Very high2 Ų268.1 Ų68.11%0.01237%0.367CS..EExtended strand (participates in β ladder)trans-141.7135.8179.9-173.80000109.3K129 V140 L149 L171 I183 A184K129-V174 HydrophobicContact CB-CB 4.44Å; K129-V174 HydrophobicContact CB-CG2 4.46Å; K129-V174 HydrophobicContact CG-CB 4.22Å; V140-V174 HydrophobicContact CG1-CG1 3.88Å; V140-V174 HydrophobicContact CG2-CG1 4.27Å; L149-V174 HydrophobicContact CD2-CG1 4.31Å; L149-V174 HydrophobicContact CD2-CG2 3.55Å; L171-V174 HydrophobicContact CD1-CG2 4.07Å; L171-V174 HydrophobicContact CD2-CG2 3.63Å; L171-V174 HydrophobicContact CG-CG2 4.16Å; V174-I183 HydrophobicContact CG1-CG2 3.76Å; V174-A184 WeakPolarHBondContact CA-O 3.48Å
175A97.2Very high94Very high54 Ų5462 Ų6245%0.44634%0.339SS..EExtended strand (participates in β ladder)trans-135.4139.2171.800000110.3I183 A184A175-I183 CarbonylContact O-C 3.6Å; A175-I183 WeakPolarHBondContact O-CA 3.47Å; A175-I183 WeakPolarHBondContact O-CG2 3.04Å; A175-A184 PolarHBondContact N-O 2.9Å; A175-A184 PolarHBondContact O-N 3.42Å
176W96Very high94.3Very high37 Ų3763.8 Ų63.814%0.1434%0.343CS..EExtended strand (participates in β ladder)trans-104.5135.8173.9-164.5-65.5000109.3F132 V140 I151 R180 I183F132-W176 WeakPolarHBondContact O-CB 3.47Å; V140-W176 HydrophobicContact CB-CE3 3.85Å; V140-W176 HydrophobicContact CB-CZ3 3.96Å; V140-W176 HydrophobicContact CG1-CE3 3.7Å; V140-W176 HydrophobicContact CG1-CZ3 4.34Å; I151-W176 HydrophobicContact CD1-CH2 4.41Å; I151-W176 HydrophobicContact CD1-CZ3 4.25Å; I151-W176 HydrophobicContact CG1-CZ3 4.4Å; I151-W176 HydrophobicContact CG2-CH2 4.39Å; I151-W176 HydrophobicContact CG2-CZ3 4.33Å; W176-R180 PolarHBondContact NE1-O 2.88Å; W176-I183 HydrophobicContact CD2-CD1 4.24Å; W176-I183 HydrophobicContact CD2-CG1 3.77Å; W176-I183 HydrophobicContact CE3-CD1 3.52Å; W176-I183 HydrophobicContact CE3-CG1 3.54Å; W176-I183 HydrophobicContact CG-CG1 4.41Å; W176-I183 HydrophobicContact CH2-CD1 3.89Å; W176-I183 HydrophobicContact CH2-CG1 4.26Å; W176-I183 HydrophobicContact CZ2-CG1 4.45Å; W176-I183 HydrophobicContact CZ3-CD1 3.32Å; W176-I183 HydrophobicContact CZ3-CG1 3.82Å
177H93.6Very high94.4Very high70 Ų7060 Ų6032%0.32432%0.32SS..  trans-70.6128.7179.6-175-80.3000111.2V179 R180 I182H177-V179 VanDerWaalsContact C-N 3.28Å; H177-V179 VanDerWaalsContact CE1-CG2 3.43Å; H177-V179 WeakPolarHBondContact CE1-CG2 3.4Å; H177-V179 PolarHBondContact ND1-N 3.21Å; H177-V179 PolarHBondContact O-N 3.39Å; H177-V179 VanDerWaalsContact O-N 3.09Å; H177-R180 WeakPolarHBondContact ND1-CB 3.28Å; H177-R180 PolarHBondContact ND1-N 3.13Å; H177-R180 VanDerWaalsContact ND1-N 3.11Å; H177-I182 HydrophobicContact CB-CB 3.83Å; H177-I182 VanDerWaalsContact CB-O 3.25Å; H177-I182 WeakPolarHBondContact CB-O 3.26Å; H177-I182 PolarHBondContact N-O 2.52Å
178P87.9Confident94.3Very high36 Ų3651.7 Ų51.723%0.23430%0.3CS..THydrogen-bonded Turntrans-62.9-26.3-167.221.7-33.3000116.3R81 G134R81-P178 VanDerWaalsContact NH1-CB 3.34Å; G134-P178 WeakPolarHBondContact CA-O 3.28Å
179V86.2Confident94.4Very high57 Ų5751.1 Ų51.135%0.34529%0.294SS..THydrogen-bonded Turntrans-127.84.9-175.1-59.10000113.8H177 A258 F259H177-V179 VanDerWaalsContact C-N 3.28Å; H177-V179 VanDerWaalsContact CE1-CG2 3.43Å; H177-V179 WeakPolarHBondContact CE1-CG2 3.4Å; H177-V179 PolarHBondContact ND1-N 3.21Å; H177-V179 PolarHBondContact O-N 3.39Å; H177-V179 VanDerWaalsContact O-N 3.09Å; V179-A258 HydrophobicContact CB-CB 3.94Å; V179-A258 HydrophobicContact CG1-CB 3.59Å; V179-F259 HydrophobicContact CG1-CD1 3.73Å; V179-F259 HydrophobicContact CG1-CE1 3.21Å; V179-F259 HydrophobicContact CG1-CE2 4.49Å; V179-F259 HydrophobicContact CG1-CZ 3.63Å; V179-F259 HydrophobicContact CG2-CZ 4.38Å
180R89.6Confident94.5Very high159 Ų15953.2 Ų53.260%0.631%0.31SS*.SBendtrans-137.1149-178.7-64.5-177178.9177.6-0.6109.1W176 H177 I182W176-R180 PolarHBondContact NE1-O 2.88Å; H177-R180 WeakPolarHBondContact ND1-CB 3.28Å; H177-R180 PolarHBondContact ND1-N 3.13Å; H177-R180 VanDerWaalsContact ND1-N 3.11Å; R180-I182 HydrophobicContact CB-CD1 3.87Å; R180-I182 HydrophobicContact CB-CG1 3.92Å; R180-I182 PolarHBondContact O-N 3.36Å
181P92.6Very high94.6Very high74 Ų7452.3 Ų52.348%0.48131%0.308SS..SBendtrans-75.361.2174.733.1-36.3000110.6
182I95.8Very high94.6Very high44 Ų4453.6 Ų53.623%0.22632%0.318CS..EExtended strand (participates in β ladder)trans-122128.4-179.9-57.9174.1000108.2H177 R180 I193 W194 A195H177-I182 HydrophobicContact CB-CB 3.83Å; H177-I182 VanDerWaalsContact CB-O 3.25Å; H177-I182 WeakPolarHBondContact CB-O 3.26Å; H177-I182 PolarHBondContact N-O 2.52Å; R180-I182 HydrophobicContact CB-CD1 3.87Å; R180-I182 HydrophobicContact CB-CG1 3.92Å; R180-I182 PolarHBondContact O-N 3.36Å; I182-I193 HydrophobicContact CG2-CG2 3.53Å; I182-W194 CarbonylContact C-O 3.57Å; I182-W194 VanDerWaalsContact CA-O 3.24Å; I182-W194 WeakPolarHBondContact CA-O 3.39Å; I182-A195 HydrophobicContact CG1-CB 4.07Å
183I97.6Very high94.7Very high5 Ų554.4 Ų54.43%0.02632%0.321CS..EExtended strand (participates in β ladder)trans-114.8134.3176-50173.4000108.1V140 L149 I151 L163 V174 A175 W176 I193 W194V140-I183 HydrophobicContact CG2-CD1 4.33Å; L149-I183 HydrophobicContact CD1-CG2 3.93Å; I151-I183 HydrophobicContact CD1-CD1 3.82Å; I151-I183 HydrophobicContact CG1-CD1 4.49Å; L163-I183 HydrophobicContact CD1-CD1 4.09Å; V174-I183 HydrophobicContact CG1-CG2 3.76Å; A175-I183 CarbonylContact O-C 3.6Å; A175-I183 WeakPolarHBondContact O-CA 3.47Å; A175-I183 WeakPolarHBondContact O-CG2 3.04Å; W176-I183 HydrophobicContact CD2-CD1 4.24Å; W176-I183 HydrophobicContact CD2-CG1 3.77Å; W176-I183 HydrophobicContact CE3-CD1 3.52Å; W176-I183 HydrophobicContact CE3-CG1 3.54Å; W176-I183 HydrophobicContact CG-CG1 4.41Å; W176-I183 HydrophobicContact CH2-CD1 3.89Å; W176-I183 HydrophobicContact CH2-CG1 4.26Å; W176-I183 HydrophobicContact CZ2-CG1 4.45Å; W176-I183 HydrophobicContact CZ3-CD1 3.32Å; W176-I183 HydrophobicContact CZ3-CG1 3.82Å; I183-I193 WeakPolarHBondContact O-CA 3.48Å; I183-W194 HydrophobicContact CB-CB 4.11Å; I183-W194 HydrophobicContact CB-CG 4.42Å; I183-W194 PolarHBondContact N-O 2.85Å; I183-W194 VanDerWaalsContact O-CD1 3.3Å; I183-W194 PolarHBondContact O-N 3.15Å
184A97.9Very high94.6Very high30 Ų3054.1 Ų54.125%0.24832%0.316CS..EExtended strand (participates in β ladder)trans-103.5128.4167.200000109V174 A175 V191 S192 I193V174-A184 WeakPolarHBondContact CA-O 3.48Å; A175-A184 PolarHBondContact N-O 2.9Å; A175-A184 PolarHBondContact O-N 3.42Å; A184-V191 HydrophobicContact CB-CG1 4.31Å; A184-S192 WeakPolarHBondContact CA-O 3.26Å; A184-I193 HydrophobicContact CB-CD1 3.92Å
185S97.4Very high94.4Very high0 Ų057.1 Ų57.10%034%0.34CS..EExtended strand (participates in β ladder)trans-120.7147.6170.764.70000110.9H147 D173 V191 S192 W194H147-S185 PolarHBondContact NE2-OG 2.8Å; D173-S185 WeakPolarHBondContact O-CA 3.4Å; S185-V191 CarbonylContact O-C 3.58Å; S185-V191 WeakPolarHBondContact O-CA 3.41Å; S185-S192 PolarHBondContact N-O 2.83Å; S185-S192 PolarHBondContact O-N 2.85Å; S185-W194 PolarHBondContact OG-NE1 2.9Å
186I97.3Very high93.9Very high58 Ų5861 Ų6130%0.29735%0.349SS..EExtended strand (participates in β ladder)trans-115.5121.6178.5-51.7-175.2000109.1L172 D173 V190 V191L172-I186 HydrophobicContact CB-CB 4.48Å; L172-I186 HydrophobicContact CB-CG2 4.43Å; L172-I186 HydrophobicContact CD1-CG2 4.35Å; L172-I186 PolarHBondContact N-O 3.38Å; D173-I186 HydrophobicContact CB-CB 4.49Å; D173-I186 HydrophobicContact CB-CD1 4.33Å; D173-I186 HydrophobicContact CB-CG1 4.48Å; D173-I186 PolarHBondContact O-N 3.24Å; I186-V190 WeakPolarHBondContact CA-O 3.38Å; I186-V191 HydrophobicContact CG1-CG2 4.21Å
187S96Very high93.3Very high0 Ų066.3 Ų66.30%038%0.38CS..EExtended strand (participates in β ladder)trans-138137.417262.30000109.7H147 E169 L170 G189 V190H147-S187 PolarHBondContact CE1-OG 2.81Å; H147-S187 PolarHBondContact ND1-OG 2.88Å; E169-S187 WeakPolarHBondContact OE2-CB 3.43Å; E169-S187 PolarHBondContact OE2-OG 3.25Å; L170-S187 WeakPolarHBondContact O-CB 3.38Å; S187-G189 PolarHBondContact O-N 2.81Å; S187-V190 PolarHBondContact N-O 2.89Å; S187-V190 WeakPolarHBondContact O-CA 3.37Å; S187-V190 PolarHBondContact O-N 3.2Å; S187-V190 VanDerWaalsContact O-O 3.14Å
188S92.3Very high92.7Very high77 Ų7769.8 Ų69.854%0.53840%0.397SS..THydrogen-bonded Turntrans52.424.5177.4-50.50000115.8E169 V190E169-S188 VanDerWaalsContact OE1-CB 3.3Å; E169-S188 WeakPolarHBondContact OE1-CB 3.41Å; E169-S188 PolarHBondContact OE1-OG 3.41Å; S188-V190 VanDerWaalsContact C-N 3.29Å
189G91.2Very high92.4Very high67 Ų6774.1 Ų74.169%0.69142%0.422SS*.THydrogen-bonded Turntrans80.43.4-17500000115S187S187-G189 PolarHBondContact O-N 2.81Å
190V95Very high92.1Very high83 Ų8379 Ų7950%0.50344%0.442SS..EExtended strand (participates in β ladder)trans-99.1136.5173-177.40000109.1I186 S187 S188I186-V190 WeakPolarHBondContact CA-O 3.38Å; S187-V190 PolarHBondContact N-O 2.89Å; S187-V190 WeakPolarHBondContact O-CA 3.37Å; S187-V190 PolarHBondContact O-N 3.2Å; S187-V190 VanDerWaalsContact O-O 3.14Å; S188-V190 VanDerWaalsContact C-N 3.29Å
191V96.9Very high91.5Very high86 Ų8675.2 Ų75.252%0.52143%0.433SS..EExtended strand (participates in β ladder)trans-97.7118.5172.7-174.30000108.6A184 S185 I186 I193A184-V191 HydrophobicContact CB-CG1 4.31Å; S185-V191 CarbonylContact O-C 3.58Å; S185-V191 WeakPolarHBondContact O-CA 3.41Å; I186-V191 HydrophobicContact CG1-CG2 4.21Å; V191-I193 HydrophobicContact CG1-CD1 4.14Å
192S95.9Very high90.8Very high31 Ų3180 Ų8022%0.21744%0.441CS..EExtended strand (participates in β ladder)trans-97.1137.1172.1-660000110.2A184 S185A184-S192 WeakPolarHBondContact CA-O 3.26Å; S185-S192 PolarHBondContact N-O 2.83Å; S185-S192 PolarHBondContact O-N 2.85Å
193I96.9Very high90Very high110 Ų11079.7 Ų79.756%0.56444%0.443SS*.EExtended strand (participates in β ladder)trans-107.9123.6174.8-55.5-58.2000108.8I182 I183 A184 V191I182-I193 HydrophobicContact CG2-CG2 3.53Å; I183-I193 WeakPolarHBondContact O-CA 3.48Å; A184-I193 HydrophobicContact CB-CD1 3.92Å; V191-I193 HydrophobicContact CG1-CD1 4.14Å
194W96.2Very high89.3Confident57 Ų5783.6 Ų83.622%0.21648%0.477CS..EExtended strand (participates in β ladder)trans-107.3116.6175.5-48.285.1000107.7H147 L149 L163 H164 I182 I183 S185H147-W194 AromaticContact NE2-CZ2 3.96Å; L149-W194 HydrophobicContact CD1-CG 4.5Å; L163-W194 HydrophobicContact CB-CD2 4.35Å; L163-W194 HydrophobicContact CB-CE3 3.97Å; L163-W194 HydrophobicContact CB-CH2 4.41Å; L163-W194 HydrophobicContact CB-CZ3 4Å; L163-W194 HydrophobicContact CD1-CB 4.02Å; L163-W194 HydrophobicContact CD1-CD2 3.98Å; L163-W194 HydrophobicContact CD1-CE3 3.99Å; L163-W194 HydrophobicContact CD1-CG 3.99Å; L163-W194 HydrophobicContact CD2-CE3 4.43Å; L163-W194 HydrophobicContact CG-CE3 4.36Å; H164-W194 WeakPolarHBondContact O-CH2 3.09Å; I182-W194 CarbonylContact C-O 3.57Å; I182-W194 VanDerWaalsContact CA-O 3.24Å; I182-W194 WeakPolarHBondContact CA-O 3.39Å; I183-W194 HydrophobicContact CB-CB 4.11Å; I183-W194 HydrophobicContact CB-CG 4.42Å; I183-W194 PolarHBondContact N-O 2.85Å; I183-W194 VanDerWaalsContact O-CD1 3.3Å; I183-W194 PolarHBondContact O-N 3.15Å; S185-W194 PolarHBondContact OG-NE1 2.9Å
195A93.7Very high88.7Confident64 Ų6490 Ų9053%0.52950%0.499SS..EExtended strand (participates in β ladder)trans-131.3155.2175.500000109.1I182 N197I182-A195 HydrophobicContact CG1-CB 4.07Å; A195-N197 PolarHBondContact O-N 2.82Å
196Q86.4Confident88.2Confident136 Ų13692 Ų9264%0.63652%0.516SS*.PPolyproline II helixtrans-67.7125.9165.7-174.6169.21100108.5Q198Q196-Q198 PolarHBondContact O-N 2.81Å
197N83.8Confident87.7Confident148 Ų14895.4 Ų95.479%0.79154%0.542SS*.PPolyproline II helixtrans-68.5121.5173.8-158.926.9000107.8A195 V199A195-N197 PolarHBondContact O-N 2.82Å; N197-V199 PolarHBondContact O-N 2.75Å
198Q79.3Confident87.2Confident144 Ų144103.5 Ų103.567%0.67359%0.585SS**PPolyproline II helixtrans-72.8123.7173.8-64.1-62.3-28.200107Q196 E200Q196-Q198 PolarHBondContact O-N 2.81Å; Q198-E200 PolarHBondContact O-N 2.78Å
199V81.9Confident86.9Confident126 Ų126104.9 Ų104.976%0.76458%0.581SS**PPolyproline II helixtrans-78.6117.8169.9-179.10000105.8N197 N201N197-V199 PolarHBondContact O-N 2.75Å; V199-N201 PolarHBondContact O-N 2.97Å; V199-N201 VanDerWaalsContact O-N 3.14Å
200E81.2Confident86.6Confident161 Ų161109.8 Ų109.875%0.75258%0.584SS**  trans-63.4115.1177-66.1-179.8160.600108.5Q198Q198-E200 PolarHBondContact O-N 2.78Å
201N75.9Confident86.1Confident78 Ų78111 Ų11142%0.41758%0.584SS.*  trans-85.1122.2178.8-169-20.9000109.3V199 S203 A204V199-N201 PolarHBondContact O-N 2.97Å; V199-N201 VanDerWaalsContact O-N 3.14Å; N201-S203 PolarHBondContact ND2-OG 2.82Å; N201-S203 VanDerWaalsContact ND2-OG 3.15Å; N201-S203 PolarHBondContact O-N 2.89Å; N201-S203 WeakPolarHBondContact OD1-CB 3.43Å; N201-S203 PolarHBondContact OD1-N 3.23Å; N201-S203 PolarHBondContact OD1-OG 3.32Å; N201-A204 WeakPolarHBondContact O-CB 3.27Å; N201-A204 PolarHBondContact O-N 3.32Å; N201-A204 VanDerWaalsContact O-N 3.14Å
202W77.9Confident85.5Confident174 Ų174111.6 Ų111.666%0.65958%0.583SS**G310 helixtrans-68.5-19.8-179.1-7072000112.6A204 F205 F209W202-A204 PolarHBondContact O-N 3.19Å; W202-F205 PolarHBondContact O-N 3.18Å; W202-F205 VanDerWaalsContact O-N 3.15Å; W202-F209 HydrophobicContact CB-CD1 4.41Å; W202-F209 HydrophobicContact CB-CE1 3.92Å
203S80.3Confident85.1Confident38 Ų38118.2 Ų118.227%0.26662%0.617SS.*G310 helixtrans-62.6-20.917269.90000113.6N201 F205 A206 F209N201-S203 PolarHBondContact ND2-OG 2.82Å; N201-S203 VanDerWaalsContact ND2-OG 3.15Å; N201-S203 PolarHBondContact O-N 2.89Å; N201-S203 WeakPolarHBondContact OD1-CB 3.43Å; N201-S203 PolarHBondContact OD1-N 3.23Å; N201-S203 PolarHBondContact OD1-OG 3.32Å; S203-F205 PolarHBondContact O-N 3.49Å; S203-A206 CarbonylContact O-C 3.39Å; S203-A206 PolarHBondContact O-N 2.86Å; S203-F209 WeakPolarHBondContact CA-O 3.26Å; S203-F209 WeakPolarHBondContact CB-O 3.32Å
204A82.6Confident84.8Confident88 Ų88120.7 Ų120.773%0.72763%0.626SS**G310 helixtrans-67.2-19.7175.700000113.1N201 W202N201-A204 WeakPolarHBondContact O-CB 3.27Å; N201-A204 PolarHBondContact O-N 3.32Å; N201-A204 VanDerWaalsContact O-N 3.14Å; W202-A204 PolarHBondContact O-N 3.19Å
205F85.3Confident84.6Confident164 Ų164126.1 Ų126.172%0.71966%0.659SS**G310 helixtrans-83.3-22.6178.6-67.5-76.7000113.5W202 S203W202-F205 PolarHBondContact O-N 3.18Å; W202-F205 VanDerWaalsContact O-N 3.15Å; S203-F205 PolarHBondContact O-N 3.49Å
206A86.6Confident84.6Confident42 Ų42128 Ų12835%0.34766%0.664SS.*  trans-148.5115.3-17900000109.7S203 D208 F209S203-A206 CarbonylContact O-C 3.39Å; S203-A206 PolarHBondContact O-N 2.86Å; A206-D208 PolarHBondContact O-N 2.9Å; A206-D208 VanDerWaalsContact O-N 3.13Å; A206-F209 HydrophobicContact CB-CB 3.87Å; A206-F209 WeakPolarHBondContact O-CB 3.49Å; A206-F209 PolarHBondContact O-N 2.94Å
207P86Confident84.9Confident130 Ų130130.4 Ų130.484%0.84468%0.675SS**THydrogen-bonded Turntrans-55.5-33-176.5-27.334.7000114.6F209P207-F209 VanDerWaalsContact C-N 3.28Å; P207-F209 PolarHBondContact O-N 3.29Å
208D86.4Confident85.2Confident170 Ų170129.6 Ų129.691%0.90966%0.662SS**THydrogen-bonded Turntrans-82.9-4.2-179.6-54.7-37.8000113.1A206A206-D208 PolarHBondContact O-N 2.9Å; A206-D208 VanDerWaalsContact O-N 3.13Å
209F86.6Confident85.7Confident106 Ų106131.2 Ų131.247%0.46567%0.669SS.*  trans-92.2124.1-179.8-176-96.6000110.5W202 S203 A206 P207 E211W202-F209 HydrophobicContact CB-CD1 4.41Å; W202-F209 HydrophobicContact CB-CE1 3.92Å; S203-F209 WeakPolarHBondContact CA-O 3.26Å; S203-F209 WeakPolarHBondContact CB-O 3.32Å; A206-F209 HydrophobicContact CB-CB 3.87Å; A206-F209 WeakPolarHBondContact O-CB 3.49Å; A206-F209 PolarHBondContact O-N 2.94Å; P207-F209 VanDerWaalsContact C-N 3.28Å; P207-F209 PolarHBondContact O-N 3.29Å; F209-E211 HydrophobicContact CE1-CB 4.49Å
210K84.5Confident86Confident169 Ų169131.1 Ų131.174%0.73566%0.661SS**  trans-118122.4174.8-169.1175.2179.8-178.70109.6
211E83.8Confident86.2Confident110 Ų110130.9 Ų130.951%0.51465%0.653SS.*  trans-71.7134.9170-169.9170.7-172.900109.1F209F209-E211 HydrophobicContact CE1-CB 4.49Å
212L85.3Confident86.6Confident97 Ų97135.9 Ų135.951%0.50867%0.674SS.*  trans-111.1124.9178.6-66.3178.7000108.5V216L212-V216 HydrophobicContact CD1-CB 4.32Å; L212-V216 HydrophobicContact CD1-CG2 4.29Å; L212-V216 HydrophobicContact CD2-CB 4.47Å; L212-V216 HydrophobicContact CD2-CG2 3.7Å
213D85.6Confident86.7Confident171 Ų171129.6 Ų129.691%0.91466%0.656SS**SBendtrans-80-31.4174.2-159.220.6000111.1
214E92.3Very high86.9Confident162 Ų162131.7 Ų131.776%0.75766%0.662SS**SBendtrans-130.1158.6174.5-63.3-167.4157.300111.4V216E214-V216 PolarHBondContact O-N 3.44Å
215N92.3Very high87Confident170 Ų170134.8 Ų134.891%0.90966%0.659SS**PPolyproline II helixtrans-63.4123.1177.3-70.6-4.2000110.1
216V92.7Very high87Confident104 Ų104131 Ų13163%0.6365%0.646SS**PPolyproline II helixtrans-98.3124171.2178.10000108.1L212 E214 Y218L212-V216 HydrophobicContact CD1-CB 4.32Å; L212-V216 HydrophobicContact CD1-CG2 4.29Å; L212-V216 HydrophobicContact CD2-CB 4.47Å; L212-V216 HydrophobicContact CD2-CG2 3.7Å; E214-V216 PolarHBondContact O-N 3.44Å; V216-Y218 PolarHBondContact O-N 3.22Å
217E91.8Very high86.6Confident187 Ų187137.2 Ų137.287%0.87467%0.672SS**PPolyproline II helixtrans-68.8125.4169.8-69.3-177.4178.300108.7E219E217-E219 PolarHBondContact O-N 3.35Å
218Y91.1Very high86Confident130 Ų130138.4 Ų138.451%0.5167%0.666SS.*PPolyproline II helixtrans-76.7117.4179.6-178.9-116.5000109.6V216 E220 E224V216-Y218 PolarHBondContact O-N 3.22Å; Y218-E220 HydrophobicContact CD1-CG 3.71Å; Y218-E220 HydrophobicContact CE1-CB 4.22Å; Y218-E220 HydrophobicContact CE1-CG 3.73Å; Y218-E220 PolarHBondContact O-N 3.18Å; Y218-E224 WeakPolarHBondContact CE1-OE1 3.47Å; Y218-E224 WeakPolarHBondContact CE1-OE2 3.07Å; Y218-E224 VanDerWaalsContact OH-CD 3.31Å; Y218-E224 PolarHBondContact OH-OE1 2.94Å; Y218-E224 PolarHBondContact OH-OE2 2.8Å
219E88.9Confident85.1Confident178 Ų178133.1 Ų133.183%0.83264%0.638SS**  trans-85101.1168.6-169.8172.5-170.500107.9E217 R221E217-E219 PolarHBondContact O-N 3.35Å; E219-R221 PolarHBondContact O-N 2.96Å
220E88.3Confident84.1Confident125 Ų125136.9 Ų136.958%0.58466%0.657SS**  trans-56.1125.8178.3-65.2178.7-174.200109.3Y218Y218-E220 HydrophobicContact CD1-CG 3.71Å; Y218-E220 HydrophobicContact CE1-CB 4.22Å; Y218-E220 HydrophobicContact CE1-CG 3.73Å; Y218-E220 PolarHBondContact O-N 3.18Å
221R86.4Confident83.2Confident155 Ų155136.1 Ų136.159%0.58566%0.661SS**  trans-75.2141.1174.6-77.4-173.3-89.491.51.1108.3E219 S223 E224E219-R221 PolarHBondContact O-N 2.96Å; R221-S223 PolarHBondContact O-N 3.08Å; R221-S223 VanDerWaalsContact O-N 3.14Å; R221-E224 WeakPolarHBondContact O-CB 3.36Å; R221-E224 PolarHBondContact O-N 3.47Å
222E83.5Confident82.3Confident184 Ų184137.9 Ų137.986%0.8667%0.667SS**G310 helixtrans-51.6-40.8177.5-174.9171.4-159.700111.7E224E222-E224 PolarHBondContact O-N 2.99Å
223S81.8Confident81Confident42 Ų42137.5 Ų137.529%0.29467%0.672SS.*G310 helixtrans-75.34.218080.90000115.4R221 F225R221-S223 PolarHBondContact O-N 3.08Å; R221-S223 VanDerWaalsContact O-N 3.14Å; S223-F225 VanDerWaalsContact C-N 3.34Å
224E83.8Confident79.8Confident81 Ų81137.7 Ų137.738%0.37967%0.668SS.*G310 helixtrans-72.7-28.4-174.1-177.1171.6178.800113.1Y218 R221 E222Y218-E224 WeakPolarHBondContact CE1-OE1 3.47Å; Y218-E224 WeakPolarHBondContact CE1-OE2 3.07Å; Y218-E224 VanDerWaalsContact OH-CD 3.31Å; Y218-E224 PolarHBondContact OH-OE1 2.94Å; Y218-E224 PolarHBondContact OH-OE2 2.8Å; R221-E224 WeakPolarHBondContact O-CB 3.36Å; R221-E224 PolarHBondContact O-N 3.47Å; E222-E224 PolarHBondContact O-N 2.99Å
225F84.1Confident78.2Confident153 Ų153135.1 Ų135.167%0.67167%0.665SS**SBendtrans-99.3-1.3-179.9-65-83.9000113.2S223S223-F225 VanDerWaalsContact C-N 3.34Å
226D85.3Confident76.2Confident85 Ų85134.4 Ų134.446%0.45566%0.656SS.*  trans-88.5131.2-178.1-61.9-30.2000111.1
227I79.2Confident74.1Confident172 Ų172137.3 Ų137.388%0.88266%0.663SS**SBendtrans-77.8-39.6176.5-61.9173.3000110.2
228E73.2Confident72.1Confident156 Ų156132.4 Ų132.473%0.72965%0.646SS**SBendtrans-131.8114.3174-67.9177.6-173.100105.7E230E228-E230 PolarHBondContact O-N 2.89Å; E228-E230 VanDerWaalsContact O-N 3.08Å
229D67.4Low70.2Confident59 Ų59128.8 Ų128.832%0.31665%0.649SS.*  trans-77.491.5178.2-177.8-2.7000107.8D231 K232D229-D231 PolarHBondContact O-N 2.65Å; D229-D231 PolarHBondContact OD1-N 2.94Å; D229-K232 HydrophobicContact CB-CB 3.85Å; D229-K232 HydrophobicContact CB-CD 4.34Å; D229-K232 WeakPolarHBondContact O-CB 3.5Å; D229-K232 PolarHBondContact O-N 3.18Å; D229-K232 PolarHBondContact OD1-N 2.63Å
230E64.5Low68.5Low184 Ų184123.1 Ų123.186%0.8663%0.632SS**THydrogen-bonded Turntrans-66.2-20.6-178.2-68.7-173.1175.800112.5E228E228-E230 PolarHBondContact O-N 2.89Å; E228-E230 VanDerWaalsContact O-N 3.08Å
231D66.8Low66.8Low153 Ų153121 Ų12182%0.81863%0.625SS**THydrogen-bonded Turntrans-97.20.9177.6-70.8-34.1000112.7D229 S233D229-D231 PolarHBondContact O-N 2.65Å; D229-D231 PolarHBondContact OD1-N 2.94Å; D231-S233 PolarHBondContact O-N 2.52Å
232K63.6Low65.3Low147 Ų147116.9 Ų116.964%0.63962%0.623SS**  trans-61.7103.8171-161.3169.4-178.9175.90108.1D229 E234D229-K232 HydrophobicContact CB-CB 3.85Å; D229-K232 HydrophobicContact CB-CD 4.34Å; D229-K232 WeakPolarHBondContact O-CB 3.5Å; D229-K232 PolarHBondContact O-N 3.18Å; D229-K232 PolarHBondContact OD1-N 2.63Å; K232-E234 PolarHBondContact O-N 3.25Å
233S59.6Low64.2Low89 Ų89110.3 Ų110.362%0.62260%0.601SS**  trans-49137.4163.655.70000107.4D231 P235D231-S233 PolarHBondContact O-N 2.52Å; S233-P235 VanDerWaalsContact O-N 3.16Å
234E59.7Low63.6Low176 Ų176116 Ų11682%0.82262%0.622SS**  trans-39.7132.3164.1-73.4-162.816200106.5K232 E236K232-E234 PolarHBondContact O-N 3.25Å; E234-E236 PolarHBondContact O-N 3.15Å
235P57.7Low63.4Low108 Ų108119.2 Ų119.270%0.70164%0.643SS**  trans-46.3117-178.220.5-30.4000104.2S233 Q237S233-P235 VanDerWaalsContact O-N 3.16Å; P235-Q237 PolarHBondContact O-N 2.9Å
236E49.9Very low63.5Low154 Ų154118.3 Ų118.372%0.7264%0.64SS**  trans-45.5139.8163.7-85.7-168.8146.400102.9E234 T238E234-E236 PolarHBondContact O-N 3.15Å; E236-T238 HydrophobicContact CB-CG2 4.33Å; E236-T238 WeakPolarHBondContact O-CG2 3.04Å; E236-T238 PolarHBondContact O-N 2.89Å
237Q49.8Very low63.4Low166 Ų166123.3 Ų123.378%0.77666%0.661SS**  trans-59.174.8160.7-90.8168.6-13.200106.1P235 D241P235-Q237 PolarHBondContact O-N 2.9Å; Q237-D241 HydrophobicContact CG-CB 4.3Å
238T50.5Low63.8Low83 Ų83120.1 Ų120.151%0.50965%0.649SS.*  trans-54.7142.2163.552.80000102.1E236 A240 D241E236-T238 HydrophobicContact CB-CG2 4.33Å; E236-T238 WeakPolarHBondContact O-CG2 3.04Å; E236-T238 PolarHBondContact O-N 2.89Å; T238-A240 PolarHBondContact O-N 3.1Å; T238-D241 PolarHBondContact O-N 3.45Å
239G51.1Low64.4Low55 Ų55117.1 Ų117.157%0.56764%0.638SS**Hα-helixtrans-53.90.2-174.200000115.7A242 A243G239-A242 PolarHBondContact O-N 3.26Å; G239-A243 VanDerWaalsContact O-CB 3.28Å; G239-A243 WeakPolarHBondContact O-CB 3.44Å; G239-A243 PolarHBondContact O-N 3.4Å
240A52.5Low65.4Low58 Ų58120.4 Ų120.448%0.47966%0.66SS.*Hα-helixtrans-55.5-48.9166.200000113.7T238 A242 A243 E244T238-A240 PolarHBondContact O-N 3.1Å; A240-A242 VanDerWaalsContact C-N 3.28Å; A240-A242 PolarHBondContact O-N 3.06Å; A240-A243 PolarHBondContact O-N 3.4Å; A240-A243 VanDerWaalsContact O-N 3.13Å; A240-E244 PolarHBondContact O-N 3.35Å; A240-E244 VanDerWaalsContact O-N 3.14Å
241D51.4Low66.6Low82 Ų82117.1 Ų117.144%0.43965%0.653SS.*Hα-helixtrans-68.2-32.2177.3-78.2-1.8000111.2Q237 T238 A243Q237-D241 HydrophobicContact CG-CB 4.3Å; T238-D241 PolarHBondContact O-N 3.45Å; D241-A243 VanDerWaalsContact C-N 3.3Å
242A56.4Low67.6Low67 Ų67112.9 Ų112.955%0.55464%0.635SS**Hα-helixtrans-71.7-24.9174.300000112.8G239 A240G239-A242 PolarHBondContact O-N 3.26Å; A240-A242 VanDerWaalsContact C-N 3.28Å; A240-A242 PolarHBondContact O-N 3.06Å
243A60.2Low68.4Low46 Ų46112.1 Ų112.138%0.3864%0.643SS.*Hα-helixtrans-82.1-24.2176.900000112.9G239 A240 D241 D245 E246G239-A243 VanDerWaalsContact O-CB 3.28Å; G239-A243 WeakPolarHBondContact O-CB 3.44Å; G239-A243 PolarHBondContact O-N 3.4Å; A240-A243 PolarHBondContact O-N 3.4Å; A240-A243 VanDerWaalsContact O-N 3.13Å; D241-A243 VanDerWaalsContact C-N 3.3Å; A243-D245 PolarHBondContact O-N 3.35Å; A243-E246 WeakPolarHBondContact O-CB 3.46Å; A243-E246 PolarHBondContact O-N 2.89Å
244E68.8Low69.3Low161 Ų161114.2 Ų114.275%0.75265%0.647SS**Hα-helixtrans-66.3-28.7173.1-69.1-166.1165.300112.3A240A240-E244 PolarHBondContact O-N 3.35Å; A240-E244 VanDerWaalsContact O-N 3.14Å
245D79.9Confident69.9Low150 Ų150109.5 Ų109.580%0.80263%0.631SS**THydrogen-bonded Turntrans-94.810.1177.2-71.8-30.3000113.4A243 E247A243-D245 PolarHBondContact O-N 3.35Å; D245-E247 PolarHBondContact O-N 2.91Å
246E84.9Confident70.5Confident133 Ų133108.3 Ų108.362%0.62162%0.618SS**  trans-69.7129.6177.2-83.7178.8-169.800111.9A243 V248A243-E246 WeakPolarHBondContact O-CB 3.46Å; A243-E246 PolarHBondContact O-N 2.89Å; E246-V248 PolarHBondContact O-N 2.82Å
247E84.6Confident71.4Confident190 Ų190104.8 Ų104.889%0.88862%0.615SS**  trans-72.3112.2174.4-175.972.5-163.600109.8D245D245-E247 PolarHBondContact O-N 2.91Å
248V87.5Confident72.1Confident105 Ų10599.7 Ų99.764%0.63660%0.602SS**  trans-100.2118178.9-178.80000110.5E246 V250E246-V248 PolarHBondContact O-N 2.82Å; V248-V250 HydrophobicContact CG1-CG1 4.34Å
249D86.3Confident72.8Confident93 Ų93100.1 Ų100.150%0.49760%0.597SS.*  trans-79.2122.5170.4-174.12.3000110.8T251 S252D249-T251 PolarHBondContact OD1-N 2.85Å; D249-T251 PolarHBondContact OD1-OG1 3.12Å; D249-S252 PolarHBondContact OD1-N 3.4Å; D249-S252 VanDerWaalsContact OD1-N 3.12Å; D249-S252 WeakPolarHBondContact OD2-CB 2.98Å; D249-S252 PolarHBondContact OD2-N 2.81Å; D249-S252 PolarHBondContact OD2-OG 3.36Å
250V87.6Confident73.4Confident129 Ų12998.8 Ų98.878%0.78258%0.578SS**SBendtrans-1061.3178.9-610000113V248V248-V250 HydrophobicContact CG1-CG1 4.34Å
251T90Very high73.7Confident115 Ų11596.2 Ų96.271%0.70656%0.557SS**SBendtrans-115.4-22.9-172.861.30000113.7D249D249-T251 PolarHBondContact OD1-N 2.85Å; D249-T251 PolarHBondContact OD1-OG1 3.12Å
252S87.2Confident73.7Confident63 Ų6398 Ų9844%0.44158%0.576SS.*  trans-63.5146.717048.90000111.1D249D249-S252 PolarHBondContact OD1-N 3.4Å; D249-S252 VanDerWaalsContact OD1-N 3.12Å; D249-S252 WeakPolarHBondContact OD2-CB 2.98Å; D249-S252 PolarHBondContact OD2-N 2.81Å; D249-S252 PolarHBondContact OD2-OG 3.36Å
253V81Confident73.8Confident132 Ų13299.1 Ų99.180%0.857%0.573SS**  trans-115.8106.4173.1-177.30000105.8
254D77.5Confident73.9Confident133 Ų133100.1 Ų100.171%0.71157%0.57SS**  trans-68.9140.8174.7-72.6-32.9000110.3
255P72.2Confident73.1Confident76 Ų76101.6 Ų101.649%0.49458%0.577SS.*  trans-64.6139173.628.1-33.6000110.1A257 E267P255-A257 PolarHBondContact O-N 2.92Å; P255-E267 HydrophobicContact CB-CG 3.76Å
256I70.6Confident71.9Confident83 Ų83101.2 Ų101.243%0.42657%0.573SS.*  trans-71.3104.3175.9-55.8169.5000107.7A258 F259 C260 E267I256-A258 HydrophobicContact CG2-CB 4.19Å; I256-A258 PolarHBondContact O-N 2.75Å; I256-F259 HydrophobicContact CB-CD2 3.68Å; I256-F259 HydrophobicContact CB-CE2 4.24Å; I256-F259 HydrophobicContact CD1-CD2 3.85Å; I256-F259 HydrophobicContact CD1-CE2 3.73Å; I256-F259 HydrophobicContact CG1-CD2 4.34Å; I256-F259 HydrophobicContact CG2-CD2 3.67Å; I256-F259 HydrophobicContact CG2-CE2 3.92Å; I256-F259 HydrophobicContact CG2-CG 4.47Å; I256-F259 PolarHBondContact O-N 3.47Å; I256-C260 PolarHBondContact O-N 3.44Å; I256-E267 WeakPolarHBondContact CA-OE1 3.28Å; I256-E267 WeakPolarHBondContact CB-OE1 3.16Å; I256-E267 WeakPolarHBondContact CG1-OE1 3.34Å; I256-E267 PolarHBondContact N-OE1 3.23Å
257A69.4Low70.6Confident80 Ų8097.5 Ų97.566%0.66156%0.556SS**THydrogen-bonded Turntrans-52.5-26.4-177.400000114.5P255 F259 C260P255-A257 PolarHBondContact O-N 2.92Å; A257-F259 VanDerWaalsContact C-N 3.27Å; A257-F259 PolarHBondContact O-N 2.92Å; A257-C260 PolarHBondContact O-N 3.32Å
258A65.1Low69.6Low60 Ų6093.5 Ų93.550%0.49654%0.541SS..THydrogen-bonded Turntrans-70.4-20176.500000114V179 I256V179-A258 HydrophobicContact CB-CB 3.94Å; V179-A258 HydrophobicContact CG1-CB 3.59Å; I256-A258 HydrophobicContact CG2-CB 4.19Å; I256-A258 PolarHBondContact O-N 2.75Å
259F65.4Low68.3Low91 Ų9194.5 Ų94.540%0.39955%0.553SS.*THydrogen-bonded Turntrans-98-9172.9-60.8-51.1000112.9V179 I256 A257 L273V179-F259 HydrophobicContact CG1-CD1 3.73Å; V179-F259 HydrophobicContact CG1-CE1 3.21Å; V179-F259 HydrophobicContact CG1-CE2 4.49Å; V179-F259 HydrophobicContact CG1-CZ 3.63Å; V179-F259 HydrophobicContact CG2-CZ 4.38Å; I256-F259 HydrophobicContact CB-CD2 3.68Å; I256-F259 HydrophobicContact CB-CE2 4.24Å; I256-F259 HydrophobicContact CD1-CD2 3.85Å; I256-F259 HydrophobicContact CD1-CE2 3.73Å; I256-F259 HydrophobicContact CG1-CD2 4.34Å; I256-F259 HydrophobicContact CG2-CD2 3.67Å; I256-F259 HydrophobicContact CG2-CE2 3.92Å; I256-F259 HydrophobicContact CG2-CG 4.47Å; I256-F259 PolarHBondContact O-N 3.47Å; A257-F259 VanDerWaalsContact C-N 3.27Å; A257-F259 PolarHBondContact O-N 2.92Å; F259-L273 HydrophobicContact CE2-CD2 4.34Å
260C62.6Low67.2Low27 Ų2799.1 Ų99.118%0.18257%0.568CS.*  trans-93.1122.8176.5-57.50000110.9I256 A257I256-C260 PolarHBondContact O-N 3.44Å; A257-C260 PolarHBondContact O-N 3.32Å
261S59.2Low66.2Low5 Ų595.1 Ų95.14%0.03555%0.549CS..  trans-84.4149.9164.5-174.20000109.1G83 D263 E264G83-S261 PolarHBondContact N-OG 3.33Å; S261-D263 WeakPolarHBondContact CB-OD1 3.35Å; S261-D263 PolarHBondContact O-N 3.13Å; S261-D263 PolarHBondContact OG-OD1 3.14Å; S261-E264 PolarHBondContact O-N 2.98Å
262S51.4Low64.9Low120 Ų12096.1 Ų96.184%0.83955%0.549SS*.THydrogen-bonded Turntrans-64.2-10.3-176.660.60000114.1
263D58.8Low64.1Low89 Ų8998.5 Ų98.548%0.47656%0.556SS.*THydrogen-bonded Turntrans-100.79.5174.262.1-23.2000112.9R34 S261R34-D263 IonicContact CZ-OD1 2.97Å; R34-D263 IonicContact CZ-OD2 3.29Å; R34-D263 IonicContact NH2-OD1 3.36Å; R34-D263 PolarHBondContact NH2-OD1 3.23Å; R34-D263 VanDerWaalsContact NH2-OD1 3.09Å; R34-D263 IonicContact NH2-OD2 2.75Å; R34-D263 PolarHBondContact NH2-OD2 3.28Å; S261-D263 WeakPolarHBondContact CB-OD1 3.35Å; S261-D263 PolarHBondContact O-N 3.13Å; S261-D263 PolarHBondContact OG-OD1 3.14Å
264E61.5Low63.7Low68 Ų68101 Ų10132%0.31855%0.553SS.*  trans-122.3127.1174.4-64.3-168.1168.300110.6R34 S261R34-E264 IonicContact CZ-OE1 2.76Å; R34-E264 IonicContact NH1-OE1 3.49Å; R34-E264 PolarHBondContact NH1-OE1 3.15Å; R34-E264 IonicContact NH1-OE2 3.83Å; R34-E264 IonicContact NH2-OE1 3.58Å; S261-E264 PolarHBondContact O-N 2.98Å
265E53.3Low63.6Low192 Ų192101 Ų10190%0.89755%0.552SS**SBendtrans-85.8-10.1178.8-69.2-179.1165.300112.7
266L53.1Low63.8Low141 Ų141102.9 Ų102.974%0.73856%0.564SS**SBendtrans-148.9144.4-172.9-64.9171.1000112.5
267E59Low64.3Low56 Ų56106.2 Ų106.226%0.26258%0.581SS.*  trans-62.4143169.4-73.1-174.7142.400111.7P255 I256 S269P255-E267 HydrophobicContact CB-CG 3.76Å; I256-E267 WeakPolarHBondContact CA-OE1 3.28Å; I256-E267 WeakPolarHBondContact CB-OE1 3.16Å; I256-E267 WeakPolarHBondContact CG1-OE1 3.34Å; I256-E267 PolarHBondContact N-OE1 3.23Å; E267-S269 PolarHBondContact O-N 2.82Å
268D62.2Low64.8Low105 Ų105106.2 Ų106.256%0.56158%0.581SS**  trans-62.4104170.2-179.58.5000109.7K270 A271D268-K270 PolarHBondContact O-N 3.3Å; D268-K270 WeakPolarHBondContact OD1-CB 3.19Å; D268-K270 PolarHBondContact OD1-N 2.82Å; D268-A271 HydrophobicContact CB-CB 4.35Å; D268-A271 WeakPolarHBondContact O-CB 3.33Å; D268-A271 PolarHBondContact O-N 3.14Å
269S60.7Low65.5Low127 Ų127108.8 Ų108.889%0.88859%0.593SS**THydrogen-bonded Turntrans-63.6-9.7-179.9-33.10000113.1E267E267-S269 PolarHBondContact O-N 2.82Å
270K62.6Low65.8Low189 Ų189113.4 Ų113.482%0.82262%0.616SS**THydrogen-bonded Turntrans-101.13.3175.1-61178.3-177.7171.70112.9D268 L272D268-K270 PolarHBondContact O-N 3.3Å; D268-K270 WeakPolarHBondContact OD1-CB 3.19Å; D268-K270 PolarHBondContact OD1-N 2.82Å; K270-L272 PolarHBondContact O-N 2.92Å
271A66.5Low66.3Low45 Ų45118 Ų11837%0.37264%0.643SS.*  trans-59128.4176.200000110.1D268 L273D268-A271 HydrophobicContact CB-CB 4.35Å; D268-A271 WeakPolarHBondContact O-CB 3.33Å; D268-A271 PolarHBondContact O-N 3.14Å; A271-L273 VanDerWaalsContact C-N 3.33Å; A271-L273 HydrophobicContact CB-CD2 4.29Å; A271-L273 HydrophobicContact CB-CG 4.44Å; A271-L273 PolarHBondContact O-N 3.06Å
272L64.6Low66.6Low137 Ų137126.4 Ų126.472%0.71768%0.681SS**  trans-73.689.2174.4-171.287.3000108.9K270 L275K270-L272 PolarHBondContact O-N 2.92Å; L272-L275 HydrophobicContact CD2-CD2 3.8Å; L272-L275 HydrophobicContact CD2-CG 4.43Å
273L69.1Low67.1Low113 Ų113126.2 Ų126.259%0.59267%0.671SS**  trans-81.1-29.5-178.6-64.2175.3000112.8F259 A271F259-L273 HydrophobicContact CE2-CD2 4.34Å; A271-L273 VanDerWaalsContact C-N 3.33Å; A271-L273 HydrophobicContact CB-CD2 4.29Å; A271-L273 HydrophobicContact CB-CG 4.44Å; A271-L273 PolarHBondContact O-N 3.06Å
274Y72.4Confident67.2Low185 Ų185127.4 Ų127.473%0.72568%0.683SS**  trans-134.8139.2-178.753.3-89.7000110.7
275L76.3Confident67.2Low133 Ų133133.3 Ų133.370%0.69671%0.711SS**PPolyproline II helixtrans-87.6129.2164.5-72.8166.5000107.5L272 I277L272-L275 HydrophobicContact CD2-CD2 3.8Å; L272-L275 HydrophobicContact CD2-CG 4.43Å; L275-I277 PolarHBondContact O-N 3.27Å; L275-I277 VanDerWaalsContact O-N 3.11Å
276P76.9Confident67.3Low114 Ų114132.3 Ų132.374%0.7471%0.707SS**PPolyproline II helixtrans-63117.717326.4-32.1000108.6
277I80.3Confident67.1Low153 Ų153130.8 Ų130.879%0.78570%0.699SS**PPolyproline II helixtrans-88.3123.2172.5-60172.1000106.7L275L275-I277 PolarHBondContact O-N 3.27Å; L275-I277 VanDerWaalsContact O-N 3.11Å
278A79.9Confident67.1Low80 Ų80133.4 Ų133.466%0.66172%0.721SS**PPolyproline II helixtrans-68.9132.8168.100000108E280A278-E280 PolarHBondContact O-N 2.95Å
279P79.3Confident66.6Low114 Ų114138.1 Ų138.174%0.7473%0.732SS**PPolyproline II helixtrans-57.8126.6176.623.3-31.6000109.1V281P279-V281 PolarHBondContact O-N 3.11Å; P279-V281 VanDerWaalsContact O-N 3.09Å
280E72.8Confident66.2Low188 Ų188134.2 Ų134.288%0.87971%0.712SS**  trans-62.6112.4170.4-69.6-179.1172.200107.3A278 E282A278-E280 PolarHBondContact O-N 2.95Å; E280-E282 PolarHBondContact O-N 3.08Å
281V71.6Confident65.6Low125 Ų125131 Ų13176%0.75871%0.71SS**  trans-77.8103.1168.5-178.90000105.2P279 D283P279-V281 PolarHBondContact O-N 3.11Å; P279-V281 VanDerWaalsContact O-N 3.09Å; V281-D283 PolarHBondContact O-N 3.31Å
282E66.6Low64.7Low180 Ų180134.2 Ų134.284%0.84173%0.728SS**  trans-55.3113.9167.6-85.8-176.7154.700107.9E280 P284E280-E282 PolarHBondContact O-N 3.08Å; E282-P284 WeakPolarHBondContact O-CD 3.15Å
283D62.3Low63.9Low116 Ų116133.7 Ų133.762%0.6273%0.733SS**  trans-64.4123.2172.2-103-38.1000107.7V281 E285 E286V281-D283 PolarHBondContact O-N 3.31Å; D283-E285 PolarHBondContact O-N 2.91Å; D283-E286 PolarHBondContact O-N 3.4Å
284P60.7Low62.6Low114 Ų114136.2 Ų136.274%0.7475%0.747SS**G310 helixtrans-57.2-14.6-177-2633.8000114.9E282E282-P284 WeakPolarHBondContact O-CD 3.15Å
285E61.2Low61Low192 Ų192132 Ų13290%0.89775%0.75SS**G310 helixtrans-80.5-13.5179.5-62-167.9167.800113.7D283D283-E285 PolarHBondContact O-N 2.91Å
286E54.4Low59.1Low172 Ų172132 Ų13280%0.80476%0.755SS**G310 helixtrans-89.21.9178.4-99.3-168.316800114.3D283 P288D283-E286 PolarHBondContact O-N 3.4Å; E286-P288 WeakPolarHBondContact O-CD 3.1Å
287N49.7Very low57.2Low108 Ų108132.8 Ų132.858%0.57876%0.76SS**  trans-84.9106.2178.3-159.823.9000111.3Y289N287-Y289 PolarHBondContact O-N 3.34Å
288P59.3Low54.9Low111 Ų111131 Ų13172%0.72176%0.761SS**THydrogen-bonded Turntrans-72.1-3-177-12.230.5000113.2E286E286-P288 WeakPolarHBondContact O-CD 3.1Å
289Y51.5Low52.7Low204 Ų204132 Ų13280%0.876%0.763SS**THydrogen-bonded Turntrans-121.729.6-174.5-66.1-80.2000113.3N287N287-Y289 PolarHBondContact O-N 3.34Å
290G52.7Low50.5Low45 Ų45133.2 Ų133.246%0.46476%0.763SS.*PPolyproline II helixtrans-65.1139.6164.400000111.2
291P50Low48.5Very low121 Ų121132.6 Ų132.679%0.78676%0.762SS**PPolyproline II helixtrans-61.8142.4179.425.9-31.4000110.2
292P47.2Very low46.6Very low114 Ų114133.5 Ų133.574%0.7476%0.763SS**PPolyproline II helixtrans-64.4143.2-176.225.9-31.2000110.1D294P292-D294 PolarHBondContact O-N 3.08Å
293P47.9Very low44.8Very low126 Ų126133.4 Ų133.482%0.81876%0.762SS**PPolyproline II helixtrans-64.7132.6-179.925.3-31.8000110.4A295P293-A295 PolarHBondContact O-N 3.02Å; P293-A295 VanDerWaalsContact O-N 3.17Å
294D41.7Very low43.2Very low166 Ų166131.5 Ų131.589%0.88877%0.77SS**PPolyproline II helixtrans-53.2118.4178.1-82.8-40.1000111P292 V296P292-D294 PolarHBondContact O-N 3.08Å; D294-V296 PolarHBondContact O-N 3.19Å
295A38Very low41.7Very low95 Ų95130.9 Ų130.979%0.78577%0.774SS**  trans-70.4113175.500000110P293P293-A295 PolarHBondContact O-N 3.02Å; P293-A295 VanDerWaalsContact O-N 3.17Å
296V37.2Very low40.2Very low134 Ų134126.7 Ų126.781%0.81277%0.766SS**  trans-51.4131.4164-100.80000110.6D294 S298D294-V296 PolarHBondContact O-N 3.19Å; V296-S298 PolarHBondContact O-N 3.19Å
297P37.7Very low39.1Very low130 Ų130123.2 Ų123.284%0.84476%0.761SS**  trans-82.4110.1-177.330.5-29.5000110.2
298S31.7Very low38.1Very low115 Ų115127.1 Ų127.180%0.80478%0.776SS**  trans-101109.9161.762.90000109.6V296V296-S298 PolarHBondContact O-N 3.19Å
299S34.4Very low36.9Very low101 Ų101132 Ų13271%0.70679%0.786SS**  trans-54.7141.8167.651.90000112.8
300L31.3Very low35.8Very low141 Ų141130.8 Ų130.874%0.73879%0.785SS**  168.5125.2120.5-85.1163.4000110.5
301M31.3Very low34.7Very low174 Ų174141 Ų14186%0.85781%0.809SS**  trans46135.4134.4-62.1178.4168.700118.3
302D30.9Very low33.6Very low144 Ų144143 Ų14377%0.7781%0.808SS**  cis-175.215924.6-165.614.8000109.5
303E29.9Very low32.7Very low178 Ų178143 Ų14383%0.83281%0.811SS**  trans49.5126155.2-70.9-118.5105.500123.9
304G28.5Very low31.8Very low76 Ų76142.4 Ų142.478%0.78481%0.81SS**  trans162.184.5156.600000115.2
305A29.6Very low31.3Very low101 Ų101139 Ų13984%0.83581%0.805SS**  trans-53.8156165.800000111.7
306S28.8Very low30.9Very low104 Ų104142.4 Ų142.473%0.72781%0.81SS**  cis-174.5155.84351.50000112.9
307S31.5Very low30.6Very low100 Ų100139 Ų13970%0.69980%0.802SS**  trans73.3102.1141.261.80000122.8
308E29.8Very low30.3Very low189 Ų189138.4 Ų138.488%0.88380%0.801SS**  53116.2120.5-63.7-166131.200121.5
309K32.9Very low30.6Very low215 Ų215141.8 Ų141.894%0.93580%0.804SS**  -155.7125.9113.8-110.8171.4-171.9174.30112.7
310K29.8Very low30.9Very low178 Ų178142.3 Ų142.377%0.77481%0.805SS**  trans-83.7136.4-178.3-159.9180-169.3178.10109.9
311R28Very low31.5Very low259 Ų259141.4 Ų141.498%0.97781%0.807SS**  trans-149.9126.6142.5-111.4-179.8-178.4-171.9-0.4109.8
312Q28Very low32Very low162 Ų162142.8 Ų142.876%0.75781%0.809SS**  trans-129134.9-171.4-141.6180-4.100106.4
313S27.4Very low32.5Very low114 Ų114145.8 Ų145.880%0.79782%0.815SS**  trans152133.4152.459.30000108.3
314S29.9Very low33.4Very low114 Ų114146.6 Ų146.680%0.79782%0.816SS**  cis-174.2152.95.534.90000107.5
315A31.5Very low34.1Very low95 Ų95148.6 Ų148.679%0.78582%0.815SS**  trans-54.3161.6164.600000111.3
316D29.1Very low34.8Very low166 Ų166153.7 Ų153.789%0.88882%0.818SS**  cis-173.2156.946.6-173.711.7000108.6
317G29.8Very low35.9Very low63 Ų63154.7 Ų154.765%0.64982%0.82SS**  trans150.766.4171.300000118.3
318S33Very low36.5Very low118 Ų118155.7 Ų155.783%0.82582%0.822SS**  trans40.3110.7148.262.20000121.9
319Q37.9Very low37.4Very low186 Ų186154 Ų15487%0.86982%0.819SS**PPolyproline II helixtrans-85.4147.7159.8-71.6-161.5-12.200112.3
320P40Very low38.5Very low111 Ų111150.3 Ų150.372%0.72181%0.808SS**PPolyproline II helixtrans-76.5153.817631.1-32.4000112.4
321P44Very low39.6Very low122 Ų122150.4 Ų150.479%0.79281%0.811SS**PPolyproline II helixtrans-75136.5-172.929.6-33.1000112.5K323P321-K323 PolarHBondContact O-N 2.95Å
322K41.3Very low40.9Very low203 Ų203144.6 Ų144.688%0.88380%0.799SS**PPolyproline II helixtrans-63.1120173.6-67-179.9177.4179.90110.5
323K42.8Very low42Very low208 Ų208146.1 Ų146.190%0.90481%0.806SS**PPolyproline II helixtrans-66.9127.6169.5-76.1-179.5176.9176.20109.5P321P321-K323 PolarHBondContact O-N 2.95Å
324K46.8Very low43.6Very low195 Ų195144.3 Ų144.385%0.84881%0.805SS**PPolyproline II helixtrans-71.4137.8170-68.4-177.3178.5-1790109.4K326K324-K326 PolarHBondContact O-N 3.14Å
325P43.8Very low44.6Very low118 Ų118143.2 Ų143.277%0.76679%0.794SS**PPolyproline II helixtrans-65.1134.3173.926.4-31.8000109.9T327P325-T327 PolarHBondContact O-N 2.93Å
326K45.3Very low45.6Very low207 Ų207144 Ų14490%0.979%0.791SS**  trans-72.5111.7169-86.3-178.2174.4-178.80107.7K324K324-K326 PolarHBondContact O-N 3.14Å
327T51.3Low46.9Very low126 Ų126143.4 Ų143.477%0.77379%0.788SS**  trans-84.9119.1169-38.40000108P325P325-T327 PolarHBondContact O-N 2.93Å
328T44.4Very low48.2Very low121 Ų121147.8 Ų147.874%0.74280%0.796SS**  trans-95.9111170.6-35.50000107.1
329N49Very low49.2Very low152 Ų152151.1 Ų151.181%0.81380%0.799SS**  trans-77.9122.4171.4-103.2-27.5000108.4
330I56.1Low50.2Low139 Ų139148 Ų14871%0.71379%0.792SS**  trans-100.3109.5171.6-58.6174.6000106.5L332I330-L332 PolarHBondContact O-N 3.31Å
331E52.7Low50.6Low179 Ų179148.5 Ų148.584%0.83679%0.785SS**  trans-79112.9173.4-74.3-178.5170.300109.4
332L54.3Low51Low138 Ų138148.1 Ų148.172%0.72378%0.782SS**  trans-82.3116.4171.5-64.5171.9000108.8I330 V335I330-L332 PolarHBondContact O-N 3.31Å; L332-V335 HydrophobicContact CB-CG2 4.17Å
333Q51.8Low51.3Low194 Ų194145.7 Ų145.791%0.90778%0.778SS**THydrogen-bonded Turntrans-78.9127.7173.9-70.3-173-6.100110.4
334G60.1Low51.5Low75 Ų75142.7 Ų142.777%0.77377%0.771SS**THydrogen-bonded Turntrans110.112.2172.200000116.7P336G334-P336 WeakPolarHBondContact O-CD 3.47Å
335V51.3Low51.4Low92 Ų92136.4 Ų136.456%0.55876%0.761SS**  trans-77.2123.6174-169.90000109.8L332 N337L332-V335 HydrophobicContact CB-CG2 4.17Å; V335-N337 PolarHBondContact O-N 3.4Å
336P52.3Low51.2Low111 Ų111137.3 Ų137.372%0.72177%0.765SS**  trans-62.2118.8171.6-19.732.4000109.9G334 D338G334-P336 WeakPolarHBondContact O-CD 3.47Å; P336-D338 VanDerWaalsContact C-N 3.26Å; P336-D338 PolarHBondContact O-N 3.49Å
337N58Low50.8Low154 Ų154137.6 Ų137.682%0.82477%0.766SS**THydrogen-bonded Turntrans-78.46.9-170.2-90.5-24.6000115.7V335V335-N337 PolarHBondContact O-N 3.4Å
338D55.9Low50.1Low155 Ų155134.7 Ų134.783%0.82976%0.761SS**THydrogen-bonded Turntrans-134.122.2-165.9-91.3-25.1000116.9P336P336-D338 VanDerWaalsContact C-N 3.26Å; P336-D338 PolarHBondContact O-N 3.49Å
339E53.8Low49.5Very low188 Ų188137.3 Ų137.388%0.87977%0.77SS**  trans-108.4101.6167.8-74-168166.800112.2H341E339-H341 PolarHBondContact O-N 3.37Å
340V58.3Low48.7Very low121 Ų121133.2 Ų133.273%0.73376%0.764SS**  trans-68.6123170.9-178.90000109L344V340-L344 HydrophobicContact CG1-CB 4.32Å
341H50.1Low47.5Very low121 Ų121136.3 Ų136.356%0.5677%0.772SS**  trans-55.4135.8179.6-160.5-86000111.5E339 L343 L344E339-H341 PolarHBondContact O-N 3.37Å; H341-L343 PolarHBondContact O-N 3.41Å; H341-L344 PolarHBondContact O-N 3.23Å; H341-L344 VanDerWaalsContact O-N 3.14Å
342P50.6Low46.6Very low114 Ų114133.3 Ų133.374%0.7477%0.771SS**THydrogen-bonded Turntrans-60.9-10.2-170.7-22.931.9000116.1
343L48.6Very low45.5Very low151 Ų151136.7 Ų136.779%0.79178%0.78SS**THydrogen-bonded Turntrans-93.3-5.6-177-73.3166.9000114H341H341-L343 PolarHBondContact O-N 3.41Å
344L46.8Very low44.5Very low145 Ų145136.9 Ų136.976%0.75978%0.778SS**SBendtrans-97.10.1179.1-69171.4000113.6V340 H341V340-L344 HydrophobicContact CG1-CB 4.32Å; H341-L344 PolarHBondContact O-N 3.23Å; H341-L344 VanDerWaalsContact O-N 3.14Å
345G45.5Very low43Very low63 Ų63143.4 Ų143.465%0.64979%0.785SS**  trans-105.925.3-167.400000117.4
346V39.8Very low41.9Very low138 Ų138148 Ų14884%0.83680%0.8SS**  trans-133.691.6176.8-166.30000112.1
347K36.4Very low40.9Very low213 Ų213147.7 Ų147.793%0.92681%0.807SS**  trans-124.8112.7158.1-117.4-177.4-178.2176.50109.5
348G35.6Very low39.4Very low64 Ų64143.8 Ų143.866%0.6680%0.804SS**  trans86.411315400000117.6
349D32.4Very low38.2Very low176 Ų176146 Ų14694%0.94180%0.8SS**  -173.314195.3-95.6-30.9000113.1
350G31.5Very low37.3Very low67 Ų67143 Ų14369%0.69180%0.797SS**  trans-85.3149.3-173.300000114.9
351K32Very low36Very low203 Ų203145.4 Ų145.488%0.88380%0.798SS**  157.7113.5128.8-92.4174.6179.3170.40109.9
352S33Very low35Very low116 Ų116143.3 Ų143.381%0.81181%0.809SS**  trans-177.4114.1134.542.20000114.7
353K31.6Very low34Very low210 Ų210143.2 Ų143.291%0.91381%0.811SS**  trans55.8102138.4-69.6-179.4177.8173.90121
354K30.3Very low33.1Very low197 Ų197146.6 Ų146.686%0.85782%0.819SS**  trans-37129.4148.5-155.5177.5-166.9176.30114.3
355K30.2Very low32.3Very low212 Ų212143 Ų14392%0.92282%0.817SS**  trans-146.4133.5146.7-102.2-173.3179.5-1780110.8
356Q27.6Very low31.6Very low189 Ų189148.6 Ų148.688%0.88382%0.823SS**  trans-73.9147.7179.4-76.6169.8-31.900113
357A30.5Very low31.1Very low104 Ų104148.6 Ų148.686%0.8681%0.814SS**  trans175.9131.5130.600000106.1
358G27.7Very low30.8Very low73 Ų73146.7 Ų146.775%0.75381%0.806SS**  cis117.294.538.300000107.3
359R30.6Very low30.5Very low200 Ų200150.7 Ų150.776%0.75581%0.812SS**  trans-54.8151.9172.5-172.6-173.1-173.4179.510.6110.8
360P34.4Very low30.5Very low126 Ų126147.3 Ų147.382%0.81880%0.802SS**  -137.8135.8126.121.6-1.8000114.1
361K30.1Very low31Very low171 Ų171149.1 Ų149.174%0.74380%0.802SS**  trans-94.1126.1154.6-90.8-163.3175-176.60108.1
362G29.3Very low30.7Very low78 Ų78149.7 Ų149.780%0.80481%0.805SS**  trans61.5132.7134.400000122.6
363S30.3Very low30.7Very low111 Ų111153.3 Ų153.378%0.77681%0.806SS**  trans-171.5113.9138.959.30000109.5
364K29Very low30.7Very low223 Ų223149.4 Ų149.497%0.9780%0.802SS**  78.4130.393.1-82.4-166.2178-179.70116.4
365G30.1Very low30.7Very low68 Ų68149.7 Ų149.770%0.70180%0.803SS**  trans137.794.7151.300000112.8
366K31.8Very low30.6Very low181 Ų181147.5 Ų147.579%0.78780%0.801SS**  74.813787.3-83.6-163.3173.2-136.90112.2
367E29.6Very low30.6Very low138 Ų138149.4 Ų149.465%0.64580%0.801SS**  cis-175.6177.17.6-129.9169.3-151.600109.2
368K29.6Very low30.5Very low174 Ų174153.6 Ų153.676%0.75780%0.8SS**  trans103.798161.1-59-163.1175.6-177.40115.8
369D28.4Very low30.5Very low147 Ų147153.7 Ų153.779%0.78680%0.801SS**  92133.777.3-85.1-33.3000109.5
370S33.3Very low30.5Very low105 Ų105151.2 Ų151.273%0.73480%0.803SS**  cis-176.4-164.6-0.653.70000105.7
371P40.8Very low30.3Very low105 Ų105156.5 Ų156.568%0.68281%0.807SS**  -125.4164.3-86.237.8-20.5000114.4
372F26.9Very low30.2Very low216 Ų216152.1 Ų152.195%0.94781%0.81SS**  trans-150.9127.4148.5-123.1-88.9000110.9
373K32.8Very low30.3Very low191 Ų191155.7 Ų155.783%0.8381%0.81SS**PPolyproline II helixtrans-93.6148.3177.9-69.9-178.7176.2-179.60110.6
374P31.5Very low30.7Very low128 Ų128156.6 Ų156.683%0.83181%0.813SS**PPolyproline II helixtrans-92.1140.2161.630.7-22.7000111.5
375K29.7Very low30.7Very low204 Ų204153.1 Ų153.189%0.88780%0.804SS**PPolyproline II helixtrans-100.7135171.7-87.1-172.8176.9179.60110.6
376L29.1Very low30.6Very low165 Ų165159.2 Ų159.286%0.86482%0.815SS**PPolyproline II helixtrans-58.6148.1156.3-95.278.4000111
377Y27.3Very low30.4Very low229 Ų229154 Ų15490%0.89881%0.811SS**  trans-140.7131.6153-133.1-99.5000111.9
378K29.3Very low30.3Very low193 Ų193152.5 Ų152.584%0.83982%0.816SS**  trans-77.2154168.5-79179.7171.1-1790109.9
379G27.5Very low30.3Very low75 Ų75150 Ų15077%0.77382%0.816SS**  trans-75.5165.8173.200000114.4
380D29.2Very low30.3Very low148 Ų148153 Ų15379%0.79182%0.822SS**  trans-159.7162.9136.7-142.6-12.8000111.3
381R31.4Very low30.1Very low237 Ų237151.8 Ų151.889%0.89483%0.826SS**  trans-48.7160.5-168.7-67.1152.8175.3-164.7-2.4120.4
382G27.3Very low29.5Very low79 Ų79157 Ų15781%0.81484%0.838SS**  trans171.8103.3148.600000114.8
383L31.7Very low29.8Very low153 Ų153153.7 Ų153.780%0.80184%0.835SS**  trans-70.8166.8164.4-69.6163000110.6
384P37.9Very low29.5Very low130 Ų130152.4 Ų152.484%0.84483%0.832SS**  -136162.27823.3-1000115.9
385L30.1Very low29.5Very low149 Ų149151.3 Ų151.378%0.7883%0.834SS**  trans-86.4177.8174.5-89.6153.4000112.7
386E27.4Very low29.4Very low197 Ų197149.1 Ų149.192%0.92183%0.827SS**  trans99.2129167-59.8-162.9151.600115.7
387G27.6Very low29.5Very low70 Ų70147.8 Ų147.872%0.72282%0.82SS**  cis162.4140.50.300000111.3
388S26.9Very low29.6Very low107 Ų107142.9 Ų142.975%0.74882%0.819SS**  trans68.6119.4147.9-1610000120.9
389T29.8Very low29.6Very low122 Ų122141.8 Ų141.875%0.74882%0.817SS**  174.3125.997.533.90000114
390K29.4Very low29.6Very low210 Ų210144 Ų14491%0.91382%0.82SS**  trans28.8130.9140-63.1-178.4177.5178.10121.8
391G29.2Very low29.7Very low79 Ų79145 Ų14581%0.81483%0.825SS**  trans-168.789.4151.700000112.8
392K28.5Very low29.6Very low214 Ų214138.6 Ų138.693%0.9382%0.822SS**  trans-73.6132.7164.2-92.5-178.9169.5-175.70108.8
393V31.5Very low29.6Very low147 Ų147139 Ų13989%0.89183%0.826SS**  trans-137.7129.2145.9-177.40000108.6
394Q28Very low29.4Very low165 Ų165135.7 Ų135.777%0.77183%0.829SS**  trans-94.2138.2178.9-174.8175.912.700107.5
395A29.8Very low29.1Very low104 Ų104134.1 Ų134.186%0.8683%0.827SS**  trans-143.8123.116000000108.6
396E29.3Very low29.3Very low159 Ų159135 Ų13574%0.74383%0.831SS**  trans-81.8148.2-177-74.4178.2137.100112.9
397L30Very low29.4Very low137 Ų137130.6 Ų130.672%0.71782%0.822SS**  trans36.7120137-75135.4000120.6
398S29Very low29.6Very low125 Ų125135.3 Ų135.387%0.87483%0.825SS**  -142.6117.7124.454.90000110.6
399Q29.9Very low29.7Very low171 Ų171138.5 Ų138.580%0.79983%0.833SS**  trans-78.7139.9164.5-82.6172.9-27.500109.1
400S28.1Very low29.9Very low120 Ų120143.7 Ų143.784%0.83986%0.855SS**  trans-137.8120.3149.968.40000109.7
401L30Very low29.9Very low171 Ų171140.4 Ų140.490%0.89585%0.852SS**  trans-78.4134171.8-79153000111
402A31Very low30Very low102 Ų102143.6 Ų143.684%0.84385%0.854SS**  trans169.4119.1145.500000105.4
403G27.3Very low30.1Very low86 Ų86139.7 Ų139.789%0.88785%0.85SS**  cis100.896.140.400000107.7
404G27.2Very low30Very low85 Ų85139.3 Ų139.388%0.87685%0.847SS**  trans167.887178.100000113.1
405A31.8Very low30.1Very low97 Ų97137.7 Ų137.780%0.80285%0.852SS**  trans-76140.4173.300000111.9
406I32.8Very low30.1Very low168 Ų168139.9 Ų139.986%0.86285%0.852SS**  trans-154.797.1152.2-55.3-174.6000106.1
407S29.5Very low30.2Very low104 Ų104138.6 Ų138.673%0.72786%0.859SS**  70.9105.7105.2-161.70000114.6
408E32.8Very low30.2Very low169 Ų169138.7 Ų138.779%0.7987%0.87SS**  trans-55.4155.1155.9-64.5169.914400111.6
409L29Very low30.3Very low174 Ų174139.8 Ų139.891%0.91187%0.87SS**  trans-155.2104.4146.7-101.1159.1000106
410L34.2Very low30.3Very low231 Ų231137 Ų137100%1.20988%0.876SS**  trans-83.20168.1-89161000110

Retrieved 410 of 410 residues in 117.2 ms (Link to these results)