G4VL17_SCHMA Loading...

Venom allergen-like (VAL) 20 protein

AlphaFold DB , UniProt , Accession G4VL17, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 225 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M63.6Low69.7Low202 Ų202119.5 Ų119.5100%0.99562%0.62SS**  0-43.60-67.2-177.7-175.900112.4K3 I4 L5M1-K3 PolarHBondContact O-N 3.36Å; M1-I4 PolarHBondContact O-N 2.89Å; M1-L5 PolarHBondContact O-N 3.34Å
2T62.3Low70.5Confident109 Ų109122.5 Ų122.567%0.66962%0.619SS**Hα-helixtrans-56.5-40.5179.411.40000115.5I4 L5 I6T2-I4 VanDerWaalsContact C-N 3.34Å; T2-I4 PolarHBondContact O-N 2.93Å; T2-L5 PolarHBondContact O-N 3.11Å; T2-I6 WeakPolarHBondContact O-CD1 3.36Å; T2-I6 VanDerWaalsContact O-CG1 3.29Å; T2-I6 WeakPolarHBondContact O-CG1 3.48Å; T2-I6 PolarHBondContact O-N 3.5Å; T2-I6 VanDerWaalsContact O-N 3.11Å
3K61.7Low71.2Confident183 Ų183120.5 Ų120.580%0.79661%0.61SS**Hα-helixtrans-62.4-36.6178.7-71.1-172.6177.1-177.10113.7M1 Q7M1-K3 PolarHBondContact O-N 3.36Å; K3-Q7 PolarHBondContact O-N 3.41Å; K3-Q7 VanDerWaalsContact O-N 3.15Å
4I63.8Low71.7Confident125 Ų125122.2 Ų122.264%0.64161%0.612SS**Hα-helixtrans-72.1-42.2-179.1-62.2173.1000110.2M1 T2 I6 Q7 S8M1-I4 PolarHBondContact O-N 2.89Å; T2-I4 VanDerWaalsContact C-N 3.34Å; T2-I4 PolarHBondContact O-N 2.93Å; I4-I6 VanDerWaalsContact C-N 3.35Å; I4-I6 PolarHBondContact O-N 3.37Å; I4-Q7 PolarHBondContact O-N 3Å; I4-S8 PolarHBondContact O-N 2.92Å; I4-S8 PolarHBondContact O-OG 3.26Å
5L63.7Low71.7Confident111 Ų111125.4 Ų125.458%0.58162%0.616SS**Hα-helixtrans-62.6-40.2176.7-70.6168.6000112.2M1 T2 S8 S9M1-L5 PolarHBondContact O-N 3.34Å; T2-L5 PolarHBondContact O-N 3.11Å; L5-S8 WeakPolarHBondContact CA-OG 3.49Å; L5-S8 PolarHBondContact O-N 3.47Å; L5-S8 PolarHBondContact O-OG 3.39Å; L5-S9 WeakPolarHBondContact O-CB 3.36Å; L5-S9 PolarHBondContact O-N 3.02Å; L5-S9 PolarHBondContact O-OG 2.93Å
6I69.5Low71.8Confident101 Ų101121.8 Ų121.852%0.51860%0.599SS.*Hα-helixtrans-64.7-43.3176.2-64.9164000110.3T2 I4 S9 L10T2-I6 WeakPolarHBondContact O-CD1 3.36Å; T2-I6 VanDerWaalsContact O-CG1 3.29Å; T2-I6 WeakPolarHBondContact O-CG1 3.48Å; T2-I6 PolarHBondContact O-N 3.5Å; T2-I6 VanDerWaalsContact O-N 3.11Å; I4-I6 VanDerWaalsContact C-N 3.35Å; I4-I6 PolarHBondContact O-N 3.37Å; I6-S9 PolarHBondContact O-N 3.35Å; I6-L10 HydrophobicContact CG2-CD1 3.78Å; I6-L10 HydrophobicContact CG2-CG 4.27Å; I6-L10 WeakPolarHBondContact O-CB 3.5Å; I6-L10 VanDerWaalsContact O-CG 3.25Å; I6-L10 WeakPolarHBondContact O-CG 3.44Å; I6-L10 PolarHBondContact O-N 3.44Å
7Q70.7Confident71.9Confident143 Ų143120.6 Ų120.667%0.66860%0.595SS**Hα-helixtrans-65-40.8179.1-170.3176.1-5.800112.5K3 I4 M11K3-Q7 PolarHBondContact O-N 3.41Å; K3-Q7 VanDerWaalsContact O-N 3.15Å; I4-Q7 PolarHBondContact O-N 3Å; Q7-M11 WeakPolarHBondContact O-CB 3.5Å; Q7-M11 PolarHBondContact O-N 2.96Å
8S74.6Confident71.7Confident54 Ų54122.6 Ų122.638%0.37860%0.596SS.*Hα-helixtrans-66.1-42.217658.40000112.3I4 L5 M11 Y12I4-S8 PolarHBondContact O-N 2.92Å; I4-S8 PolarHBondContact O-OG 3.26Å; L5-S8 WeakPolarHBondContact CA-OG 3.49Å; L5-S8 PolarHBondContact O-N 3.47Å; L5-S8 PolarHBondContact O-OG 3.39Å; S8-M11 PolarHBondContact O-N 3.25Å; S8-Y12 PolarHBondContact O-N 3.09Å
9S77.1Confident71.3Confident66 Ų66117.6 Ų117.646%0.46258%0.579SS.*Hα-helixtrans-66.2-41.7178.2-62.70000111.9L5 I6 Y12 L13L5-S9 WeakPolarHBondContact O-CB 3.36Å; L5-S9 PolarHBondContact O-N 3.02Å; L5-S9 PolarHBondContact O-OG 2.93Å; I6-S9 PolarHBondContact O-N 3.35Å; S9-Y12 PolarHBondContact O-N 3.34Å; S9-L13 WeakPolarHBondContact O-CG 3.41Å; S9-L13 PolarHBondContact O-N 3.11Å
10L81.5Confident71.1Confident87 Ų87116.5 Ų116.546%0.45558%0.576SS.*Hα-helixtrans-62-45.8175-74.2171.1000111.4I6 Y12 L13 F14I6-L10 HydrophobicContact CG2-CD1 3.78Å; I6-L10 HydrophobicContact CG2-CG 4.27Å; I6-L10 WeakPolarHBondContact O-CB 3.5Å; I6-L10 VanDerWaalsContact O-CG 3.25Å; I6-L10 WeakPolarHBondContact O-CG 3.44Å; I6-L10 PolarHBondContact O-N 3.44Å; L10-Y12 VanDerWaalsContact C-N 3.31Å; L10-Y12 PolarHBondContact O-N 2.98Å; L10-L13 PolarHBondContact O-N 2.86Å; L10-F14 WeakPolarHBondContact O-CD2 3.05Å; L10-F14 PolarHBondContact O-N 3.24Å
11M78.6Confident70.7Confident134 Ų134114.8 Ų114.866%0.6657%0.572SS**Hα-helixtrans-60.9-40.2178.2-173.1-177.365.200112Q7 S8 F14 Y15Q7-M11 WeakPolarHBondContact O-CB 3.5Å; Q7-M11 PolarHBondContact O-N 2.96Å; S8-M11 PolarHBondContact O-N 3.25Å; M11-F14 PolarHBondContact O-N 3.24Å; M11-Y15 PolarHBondContact O-N 3Å
12Y79.5Confident70.9Confident155 Ų155108.2 Ų108.261%0.60854%0.539SS*.Hα-helixtrans-66.5-42.7176.4-168.8-108.4000112.3S8 S9 L10 Y15 I16S8-Y12 PolarHBondContact O-N 3.09Å; S9-Y12 PolarHBondContact O-N 3.34Å; L10-Y12 VanDerWaalsContact C-N 3.31Å; L10-Y12 PolarHBondContact O-N 2.98Å; Y12-Y15 PolarHBondContact O-N 2.03Å; Y12-I16 HydrophobicContact CD1-CD1 3.66Å; Y12-I16 HydrophobicContact CD1-CG1 4.47Å; Y12-I16 HydrophobicContact CE1-CD1 3.34Å; Y12-I16 HydrophobicContact CE1-CG1 4.25Å; Y12-I16 WeakPolarHBondContact O-CG1 3.03Å; Y12-I16 PolarHBondContact O-N 3.43Å
13L79.4Confident71.2Confident96 Ų96104.4 Ų104.450%0.50352%0.516SS..Hα-helixtrans-61-44.3173.7-73.5168.3000111.7S9 L10 Y15 I16 L17S9-L13 WeakPolarHBondContact O-CG 3.41Å; S9-L13 PolarHBondContact O-N 3.11Å; L10-L13 PolarHBondContact O-N 2.86Å; L13-Y15 VanDerWaalsContact C-N 3.31Å; L13-Y15 PolarHBondContact O-N 3.04Å; L13-I16 PolarHBondContact O-N 2.89Å; L13-L17 WeakPolarHBondContact O-CB 3.49Å; L13-L17 VanDerWaalsContact O-CG 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.29Å; L13-L17 PolarHBondContact O-N 3.38Å
14F77.4Confident71.9Confident145 Ų14598.5 Ų98.564%0.63650%0.495SS*.Hα-helixtrans-60.7-39.9175-82.3-65.3000112.2L10 M11 L17 Y18L10-F14 WeakPolarHBondContact O-CD2 3.05Å; L10-F14 PolarHBondContact O-N 3.24Å; M11-F14 PolarHBondContact O-N 3.24Å; F14-L17 PolarHBondContact O-N 3.21Å; F14-Y18 VanDerWaalsContact O-CB 3.23Å; F14-Y18 WeakPolarHBondContact O-CB 3.42Å; F14-Y18 PolarHBondContact O-N 3.48Å
15Y72.7Confident73Confident170 Ų17098.6 Ų98.667%0.66749%0.493SS*.Hα-helixtrans-64.5-44.4176.4-173.9-97.7000112.2M11 Y12 L13 Y18 G19M11-Y15 PolarHBondContact O-N 3Å; Y12-Y15 PolarHBondContact O-N 2.03Å; L13-Y15 VanDerWaalsContact C-N 3.31Å; L13-Y15 PolarHBondContact O-N 3.04Å; Y15-Y18 PolarHBondContact O-N 3.28Å; Y15-G19 PolarHBondContact O-N 3.42Å
16I72.6Confident74.4Confident67 Ų6794.4 Ų94.434%0.34447%0.47SS..Hα-helixtrans-61.4-48.4175.2-69.4170.5000110.7Y12 L13 Y18 G19 N20Y12-I16 HydrophobicContact CD1-CD1 3.66Å; Y12-I16 HydrophobicContact CD1-CG1 4.47Å; Y12-I16 HydrophobicContact CE1-CD1 3.34Å; Y12-I16 HydrophobicContact CE1-CG1 4.25Å; Y12-I16 WeakPolarHBondContact O-CG1 3.03Å; Y12-I16 PolarHBondContact O-N 3.43Å; L13-I16 PolarHBondContact O-N 2.89Å; I16-Y18 PolarHBondContact O-N 2.99Å; I16-G19 PolarHBondContact O-N 2.81Å; I16-N20 WeakPolarHBondContact O-CB 2.94Å; I16-N20 VanDerWaalsContact O-CG 3.27Å; I16-N20 PolarHBondContact O-N 3.22Å
17L73.6Confident75.5Confident103 Ų10389.6 Ų89.654%0.53945%0.445SS..Hα-helixtrans-61.7-44.7179.4-70.1174.2000111.1L13 F14 N20 T21L13-L17 WeakPolarHBondContact O-CB 3.49Å; L13-L17 VanDerWaalsContact O-CG 3.26Å; L13-L17 WeakPolarHBondContact O-CG 3.29Å; L13-L17 PolarHBondContact O-N 3.38Å; F14-L17 PolarHBondContact O-N 3.21Å; L17-N20 PolarHBondContact O-N 3.27Å; L17-T21 VanDerWaalsContact O-CG2 3.25Å; L17-T21 WeakPolarHBondContact O-CG2 3.39Å; L17-T21 PolarHBondContact O-N 2.94Å; L17-T21 PolarHBondContact O-OG1 3.3Å
18Y67.8Low76.4Confident156 Ų15690 Ų9061%0.61244%0.441SS*.Hα-helixtrans-60.8-48.2176.8-177-101.2000111.7F14 Y15 I16 N20 T21 Q22F14-Y18 VanDerWaalsContact O-CB 3.23Å; F14-Y18 WeakPolarHBondContact O-CB 3.42Å; F14-Y18 PolarHBondContact O-N 3.48Å; Y15-Y18 PolarHBondContact O-N 3.28Å; I16-Y18 PolarHBondContact O-N 2.99Å; Y18-N20 PolarHBondContact O-N 2.76Å; Y18-T21 WeakPolarHBondContact CA-OG1 3.46Å; Y18-T21 PolarHBondContact O-N 2.86Å; Y18-T21 PolarHBondContact O-OG1 3.24Å; Y18-Q22 PolarHBondContact O-N 3.13Å
19G65.1Low77.4Confident27 Ų2788.9 Ų88.928%0.27843%0.432SS..Hα-helixtrans-56.1-49.6175.200000112.3Y15 I16 T21 Q22 T23Y15-G19 PolarHBondContact O-N 3.42Å; I16-G19 PolarHBondContact O-N 2.81Å; G19-T21 VanDerWaalsContact C-N 3.34Å; G19-T21 PolarHBondContact O-N 3.2Å; G19-Q22 PolarHBondContact O-N 3.06Å; G19-Q22 VanDerWaalsContact O-N 3.14Å; G19-T23 PolarHBondContact O-N 3.38Å; G19-T23 PolarHBondContact O-OG1 3.02Å; G19-T23 VanDerWaalsContact O-OG1 3.1Å
20N67.3Low78.4Confident95 Ų9585.8 Ų85.851%0.50841%0.41SS..Hα-helixtrans-61.3-40.6177.5-70.8-12.8000112.2I16 L17 Y18 Q22 T24I16-N20 WeakPolarHBondContact O-CB 2.94Å; I16-N20 VanDerWaalsContact O-CG 3.27Å; I16-N20 PolarHBondContact O-N 3.22Å; L17-N20 PolarHBondContact O-N 3.27Å; Y18-N20 PolarHBondContact O-N 2.76Å; N20-Q22 VanDerWaalsContact C-N 3.32Å; N20-Q22 PolarHBondContact O-N 3.27Å; N20-T24 WeakPolarHBondContact O-CB 3.19Å; N20-T24 WeakPolarHBondContact O-CG2 3.45Å; N20-T24 PolarHBondContact O-N 3.4Å; N20-T24 PolarHBondContact O-OG1 2.69Å
21T63Low79.2Confident81 Ų8183.6 Ų83.650%0.49740%0.397SS..Hα-helixtrans-66.2-34.8176.457.90000112.5L17 Y18 G19 T24 H25L17-T21 VanDerWaalsContact O-CG2 3.25Å; L17-T21 WeakPolarHBondContact O-CG2 3.39Å; L17-T21 PolarHBondContact O-N 2.94Å; L17-T21 PolarHBondContact O-OG1 3.3Å; Y18-T21 WeakPolarHBondContact CA-OG1 3.46Å; Y18-T21 PolarHBondContact O-N 2.86Å; Y18-T21 PolarHBondContact O-OG1 3.24Å; G19-T21 VanDerWaalsContact C-N 3.34Å; G19-T21 PolarHBondContact O-N 3.2Å; T21-T24 WeakPolarHBondContact CA-OG1 3.38Å; T21-T24 PolarHBondContact O-OG1 3.41Å; T21-H25 WeakPolarHBondContact O-CB 3.45Å; T21-H25 PolarHBondContact O-N 2.92Å; T21-H25 VanDerWaalsContact O-N 3.1Å
22Q67.8Low80Confident64 Ų6481.2 Ų81.230%0.29939%0.387SS..Hα-helixtrans-70.5-47.7176.5-177.2170.3-2.900111Y18 G19 N20 T24 H25 E26Y18-Q22 PolarHBondContact O-N 3.13Å; G19-Q22 PolarHBondContact O-N 3.06Å; G19-Q22 VanDerWaalsContact O-N 3.14Å; N20-Q22 VanDerWaalsContact C-N 3.32Å; N20-Q22 PolarHBondContact O-N 3.27Å; Q22-T24 VanDerWaalsContact C-N 3.29Å; Q22-T24 PolarHBondContact O-N 2.97Å; Q22-H25 WeakPolarHBondContact O-CB 3.28Å; Q22-H25 PolarHBondContact O-N 3.27Å; Q22-H25 VanDerWaalsContact O-N 3.08Å; Q22-E26 HydrophobicContact CG-CG 4.47Å; Q22-E26 PolarHBondContact NE2-OE1 3.23Å; Q22-E26 PolarHBondContact O-N 3.41Å
23T68.6Low80.9Confident30 Ų3076.2 Ų76.218%0.18437%0.368CS..Hα-helixtrans-57.3-42.8177.1-55.80000111.4G19 E26 G27G19-T23 PolarHBondContact O-N 3.38Å; G19-T23 PolarHBondContact O-OG1 3.02Å; G19-T23 VanDerWaalsContact O-OG1 3.1Å; T23-E26 PolarHBondContact O-N 3.02Å; T23-G27 PolarHBondContact O-N 2.9Å
24T76Confident81.8Confident58 Ų5871.6 Ų71.636%0.35634%0.344SS..Hα-helixtrans-68-33.3176.8510000113.3N20 T21 Q22 R28N20-T24 WeakPolarHBondContact O-CB 3.19Å; N20-T24 WeakPolarHBondContact O-CG2 3.45Å; N20-T24 PolarHBondContact O-N 3.4Å; N20-T24 PolarHBondContact O-OG1 2.69Å; T21-T24 WeakPolarHBondContact CA-OG1 3.38Å; T21-T24 PolarHBondContact O-OG1 3.41Å; Q22-T24 VanDerWaalsContact C-N 3.29Å; Q22-T24 PolarHBondContact O-N 2.97Å; T24-R28 WeakPolarHBondContact O-CB 3.43Å; T24-R28 VanDerWaalsContact O-CG 3.27Å; T24-R28 WeakPolarHBondContact O-CG 3.49Å; T24-R28 PolarHBondContact O-N 3.11Å; T24-R28 VanDerWaalsContact O-N 3.1Å
25H87.6Confident82.7Confident128 Ų12865.2 Ų65.259%0.59332%0.317SS*.Hα-helixtrans-68.5-43.8173.7-179.167.6000112.3T21 Q22 R28 T29T21-H25 WeakPolarHBondContact O-CB 3.45Å; T21-H25 PolarHBondContact O-N 2.92Å; T21-H25 VanDerWaalsContact O-N 3.1Å; Q22-H25 WeakPolarHBondContact O-CB 3.28Å; Q22-H25 PolarHBondContact O-N 3.27Å; Q22-H25 VanDerWaalsContact O-N 3.08Å; H25-R28 PolarHBondContact O-N 3.01Å; H25-T29 PolarHBondContact O-N 3.4Å; H25-T29 PolarHBondContact O-OG1 3.21Å
26E92.4Very high83.9Confident22 Ų2260.9 Ų60.910%0.10331%0.305CS..Hα-helixtrans-66-43.4177.3-74.4170.4176.700111.4Q22 T23 R28 T29 L30 V105 V150Q22-E26 HydrophobicContact CG-CG 4.47Å; Q22-E26 PolarHBondContact NE2-OE1 3.23Å; Q22-E26 PolarHBondContact O-N 3.41Å; T23-E26 PolarHBondContact O-N 3.02Å; E26-R28 PolarHBondContact O-N 3.15Å; E26-T29 WeakPolarHBondContact O-CB 3.34Å; E26-T29 PolarHBondContact O-N 3.3Å; E26-T29 VanDerWaalsContact O-N 3.14Å; E26-L30 WeakPolarHBondContact O-CG 3.28Å; E26-L30 PolarHBondContact O-N 3.36Å; E26-V105 HydrophobicContact CB-CG1 4.15Å; E26-V105 HydrophobicContact CG-CG1 4.14Å; E26-V150 HydrophobicContact CB-CG2 3.86Å; E26-V150 VanDerWaalsContact OE2-CB 3.29Å; E26-V150 WeakPolarHBondContact OE2-CB 3.35Å; E26-V150 WeakPolarHBondContact OE2-CG1 3.19Å; E26-V150 WeakPolarHBondContact OE2-CG2 3.42Å
27G91.5Very high85.2Confident0 Ų058.3 Ų58.30%029%0.291CS..Hα-helixtrans-56.1-48.517300000112.5T23 T29 L30 F31 W61T23-G27 PolarHBondContact O-N 2.9Å; G27-T29 VanDerWaalsContact C-N 3.32Å; G27-T29 PolarHBondContact O-N 2.83Å; G27-L30 WeakPolarHBondContact O-CB 3.25Å; G27-L30 PolarHBondContact O-N 2.95Å; G27-F31 PolarHBondContact O-N 3.18Å; G27-W61 WeakPolarHBondContact O-CH2 3.35Å; G27-W61 WeakPolarHBondContact O-CZ3 3.47Å
28R90.3Very high86.3Confident152 Ų15253.8 Ų53.857%0.57427%0.267SS*.Hα-helixtrans-63.2-36.2175.1-72.7178.8-168.9-72-6.3112.9T24 H25 E26 F31 N32T24-R28 WeakPolarHBondContact O-CB 3.43Å; T24-R28 VanDerWaalsContact O-CG 3.27Å; T24-R28 WeakPolarHBondContact O-CG 3.49Å; T24-R28 PolarHBondContact O-N 3.11Å; T24-R28 VanDerWaalsContact O-N 3.1Å; H25-R28 PolarHBondContact O-N 3.01Å; E26-R28 PolarHBondContact O-N 3.15Å; R28-F31 WeakPolarHBondContact O-CB 3.3Å; R28-F31 PolarHBondContact O-N 2.78Å; R28-N32 WeakPolarHBondContact O-CB 3.38Å; R28-N32 PolarHBondContact O-N 3.35Å; R28-N32 PolarHBondContact O-ND2 2.75Å
29T96.5Very high87.7Confident31 Ų3150.2 Ų50.219%0.1925%0.252CS..Hα-helixtrans-63.9-45.4175.6-62.20000110.9H25 E26 G27 N32 K33 V105 I106H25-T29 PolarHBondContact O-N 3.4Å; H25-T29 PolarHBondContact O-OG1 3.21Å; E26-T29 WeakPolarHBondContact O-CB 3.34Å; E26-T29 PolarHBondContact O-N 3.3Å; E26-T29 VanDerWaalsContact O-N 3.14Å; G27-T29 VanDerWaalsContact C-N 3.32Å; G27-T29 PolarHBondContact O-N 2.83Å; T29-N32 PolarHBondContact O-N 3.37Å; T29-K33 WeakPolarHBondContact O-CG 3.3Å; T29-K33 PolarHBondContact O-N 3.23Å; T29-V105 HydrophobicContact CG2-CG2 4.11Å; T29-I106 HydrophobicContact CG2-CD1 4.48Å; T29-I106 HydrophobicContact CG2-CG1 4.02Å
30L97.6Very high89.2Confident1 Ų152 Ų521%0.00526%0.255CS..Hα-helixtrans-58.1-49.5174-69.3162.9000110.4E26 G27 N32 K33 H34 V105 V109 C148 V150 I165E26-L30 WeakPolarHBondContact O-CG 3.28Å; E26-L30 PolarHBondContact O-N 3.36Å; G27-L30 WeakPolarHBondContact O-CB 3.25Å; G27-L30 PolarHBondContact O-N 2.95Å; L30-N32 PolarHBondContact O-N 3.32Å; L30-K33 PolarHBondContact O-N 3.44Å; L30-H34 PolarHBondContact O-N 2.82Å; L30-H34 VanDerWaalsContact O-N 3.08Å; L30-H34 PolarHBondContact O-ND1 2.86Å; L30-V105 HydrophobicContact CD2-CB 4.06Å; L30-V105 HydrophobicContact CG-CB 4.25Å; L30-V109 HydrophobicContact CD2-CB 4.08Å; L30-V109 HydrophobicContact CD2-CG1 4.45Å; L30-C148 HydrophobicContact CB-CB 4.02Å; L30-C148 HydrophobicContact CD1-CB 3.71Å; L30-V150 HydrophobicContact CD1-CG2 4.22Å; L30-I165 HydrophobicContact CD1-CG2 3.66Å; L30-I165 HydrophobicContact CD2-CG2 3.89Å; L30-I165 HydrophobicContact CG-CG2 4.45Å
31F97.1Very high90.6Very high41 Ų4147.5 Ų47.518%0.1823%0.231CC..Hα-helixtrans-52.9-54175.7176-110.6000112.7G27 R28 K33 H34 T35 L59 W61 I146G27-F31 PolarHBondContact O-N 3.18Å; R28-F31 WeakPolarHBondContact O-CB 3.3Å; R28-F31 PolarHBondContact O-N 2.78Å; F31-K33 VanDerWaalsContact C-N 3.29Å; F31-K33 PolarHBondContact O-N 2.66Å; F31-H34 WeakPolarHBondContact O-CB 3.34Å; F31-H34 PolarHBondContact O-N 3.26Å; F31-H34 VanDerWaalsContact O-N 3.08Å; F31-T35 HydrophobicContact CD1-CG2 4.46Å; F31-T35 HydrophobicContact CD2-CG2 4.3Å; F31-T35 HydrophobicContact CE1-CG2 4.01Å; F31-T35 HydrophobicContact CE2-CG2 3.84Å; F31-T35 HydrophobicContact CZ-CG2 3.68Å; F31-T35 PolarHBondContact O-N 3.41Å; F31-L59 HydrophobicContact CE2-CB 4.34Å; F31-L59 WeakPolarHBondContact CE2-O 3.33Å; F31-L59 WeakPolarHBondContact CZ-O 3.38Å; F31-W61 HydrophobicContact CB-CE3 3.63Å; F31-W61 HydrophobicContact CB-CZ3 3.69Å; F31-W61 AromaticContact CD2-CE3 3.89Å; F31-W61 HydrophobicContact CD2-CE3 3.89Å; F31-W61 HydrophobicContact CE2-CB 4.48Å; F31-W61 AromaticContact CG-CE3 3.9Å; F31-W61 HydrophobicContact CG-CE3 3.9Å; F31-W61 HydrophobicContact CG-CZ3 4.45Å; F31-I146 HydrophobicContact CD2-CG2 3.44Å; F31-I146 VanDerWaalsContact CD2-CG2 3.44Å; F31-I146 HydrophobicContact CE2-CG2 3.74Å
32N97.1Very high92.2Very high84 Ų8446.8 Ų46.845%0.44922%0.224SC..Hα-helixtrans-57.7-44.8-177.6-70.5-23.1000111.1R28 T29 L30 H34 T35 D36R28-N32 WeakPolarHBondContact O-CB 3.38Å; R28-N32 PolarHBondContact O-N 3.35Å; R28-N32 PolarHBondContact O-ND2 2.75Å; T29-N32 PolarHBondContact O-N 3.37Å; L30-N32 PolarHBondContact O-N 3.32Å; N32-H34 VanDerWaalsContact C-N 3.35Å; N32-H34 PolarHBondContact O-N 2.62Å; N32-T35 PolarHBondContact O-N 3.44Å; N32-T35 PolarHBondContact O-OG1 2.81Å; N32-D36 PolarHBondContact O-N 2.89Å
33K98.2Very high93.5Very high49 Ų4950.1 Ų50.121%0.21324%0.238CC..Hα-helixtrans-60.5-41.5177.2-71.1-67.3-58.9-170.30112.5T29 L30 F31 D36 Y37 V109T29-K33 WeakPolarHBondContact O-CG 3.3Å; T29-K33 PolarHBondContact O-N 3.23Å; L30-K33 PolarHBondContact O-N 3.44Å; F31-K33 VanDerWaalsContact C-N 3.29Å; F31-K33 PolarHBondContact O-N 2.66Å; K33-D36 PolarHBondContact O-N 3.27Å; K33-Y37 HydrophobicContact CB-CD2 4.45Å; K33-Y37 HydrophobicContact CB-CE2 4.17Å; K33-Y37 WeakPolarHBondContact CE-OH 3.31Å; K33-Y37 PolarHBondContact NZ-OH 3.45Å; K33-Y37 VanDerWaalsContact NZ-OH 3.09Å; K33-Y37 WeakPolarHBondContact O-CB 2.94Å; K33-Y37 WeakPolarHBondContact O-CD2 3.39Å; K33-Y37 VanDerWaalsContact O-CG 3.26Å; K33-Y37 PolarHBondContact O-N 3.23Å; K33-V109 HydrophobicContact CB-CG1 3.64Å; K33-V109 HydrophobicContact CB-CG2 4.13Å; K33-V109 HydrophobicContact CG-CG1 3.87Å
34H98.1Very high94.8Very high0 Ų050.4 Ų50.40%024%0.24CC..Hα-helixtrans-60.5-46.5174.3-74.179.7000111.9L30 F31 N32 D36 Y37 R38 L59 V109 I146 Y169L30-H34 PolarHBondContact O-N 2.82Å; L30-H34 VanDerWaalsContact O-N 3.08Å; L30-H34 PolarHBondContact O-ND1 2.86Å; F31-H34 WeakPolarHBondContact O-CB 3.34Å; F31-H34 PolarHBondContact O-N 3.26Å; F31-H34 VanDerWaalsContact O-N 3.08Å; N32-H34 VanDerWaalsContact C-N 3.35Å; N32-H34 PolarHBondContact O-N 2.62Å; H34-D36 VanDerWaalsContact C-N 3.35Å; H34-D36 PolarHBondContact O-N 3.42Å; H34-Y37 PolarHBondContact O-N 2.98Å; H34-R38 WeakPolarHBondContact O-CG 3.46Å; H34-R38 PolarHBondContact O-N 3.43Å; H34-L59 HydrophobicContact CB-CD1 4.25Å; H34-V109 VanDerWaalsContact CE1-CG2 3.45Å; H34-V109 WeakPolarHBondContact CE1-CG2 3.25Å; H34-I146 HydrophobicContact CB-CD1 4.1Å; H34-Y169 AromaticContact CD2-CE1 3.56Å; H34-Y169 AromaticContact CD2-CZ 4Å; H34-Y169 AromaticContact NE2-CE1 3.57Å; H34-Y169 AromaticContact NE2-CZ 3.53Å; H34-Y169 PolarHBondContact NE2-OH 3.36Å
35T96.9Very high95.8Very high11 Ų1154.7 Ų54.77%0.06725%0.254CS..Hα-helixtrans-62.8-41.5178.167.50000111.8F31 N32 R38 R39F31-T35 HydrophobicContact CD1-CG2 4.46Å; F31-T35 HydrophobicContact CD2-CG2 4.3Å; F31-T35 HydrophobicContact CE1-CG2 4.01Å; F31-T35 HydrophobicContact CE2-CG2 3.84Å; F31-T35 HydrophobicContact CZ-CG2 3.68Å; F31-T35 PolarHBondContact O-N 3.41Å; N32-T35 PolarHBondContact O-N 3.44Å; N32-T35 PolarHBondContact O-OG1 2.81Å; T35-R38 PolarHBondContact O-N 2.9Å; T35-R39 VanDerWaalsContact O-CG 3.28Å; T35-R39 WeakPolarHBondContact O-CG 3.48Å; T35-R39 PolarHBondContact O-N 3Å; T35-R39 PolarHBondContact OG1-NH1 2.9Å
36D97.5Very high96.2Very high78 Ų7848.7 Ų48.742%0.41723%0.226SC..Hα-helixtrans-64.3-42.3177.8-74.3-18.7000111.9N32 K33 H34 R39 L40N32-D36 PolarHBondContact O-N 2.89Å; K33-D36 PolarHBondContact O-N 3.27Å; H34-D36 VanDerWaalsContact C-N 3.35Å; H34-D36 PolarHBondContact O-N 3.42Å; D36-R39 CarbonylContact O-C 3.57Å; D36-R39 WeakPolarHBondContact O-CA 3.22Å; D36-R39 WeakPolarHBondContact O-CB 3.25Å; D36-R39 PolarHBondContact O-N 2.89Å; D36-R39 VanDerWaalsContact O-N 3.12Å; D36-R39 IonicContact OD1-NH1 2.66Å; D36-L40 WeakPolarHBondContact O-CG 3.43Å; D36-L40 PolarHBondContact O-N 3.46Å
37Y98.2Very high96.4Very high14 Ų1450.9 Ų50.96%0.05524%0.242CC..Hα-helixtrans-62.8-43.2176.5-76.1-39.8000112.8K33 H34 R39 L40 L41 V109 E110 F113K33-Y37 HydrophobicContact CB-CD2 4.45Å; K33-Y37 HydrophobicContact CB-CE2 4.17Å; K33-Y37 WeakPolarHBondContact CE-OH 3.31Å; K33-Y37 PolarHBondContact NZ-OH 3.45Å; K33-Y37 VanDerWaalsContact NZ-OH 3.09Å; K33-Y37 WeakPolarHBondContact O-CB 2.94Å; K33-Y37 WeakPolarHBondContact O-CD2 3.39Å; K33-Y37 VanDerWaalsContact O-CG 3.26Å; K33-Y37 PolarHBondContact O-N 3.23Å; H34-Y37 PolarHBondContact O-N 2.98Å; Y37-R39 VanDerWaalsContact C-N 3.27Å; Y37-R39 PolarHBondContact O-N 2.61Å; Y37-L40 HydrophobicContact CD1-CD1 4.01Å; Y37-L40 HydrophobicContact CE1-CD1 4.45Å; Y37-L40 PolarHBondContact O-N 2.86Å; Y37-L41 PolarHBondContact O-N 3.29Å; Y37-V109 HydrophobicContact CD2-CG2 4.29Å; Y37-V109 HydrophobicContact CE2-CG1 4.27Å; Y37-V109 HydrophobicContact CE2-CG2 4Å; Y37-E110 VanDerWaalsContact OH-CA 3.3Å; Y37-E110 WeakPolarHBondContact OH-CA 3.36Å; Y37-E110 WeakPolarHBondContact OH-CB 3.5Å; Y37-F113 VanDerWaalsContact CB-CD2 3.47Å; Y37-F113 VanDerWaalsContact CB-CE2 3.45Å; Y37-F113 HydrophobicContact CD1-CB 4.07Å; Y37-F113 AromaticContact CD1-CD1 3.2Å; Y37-F113 HydrophobicContact CD1-CD1 3.2Å; Y37-F113 AromaticContact CD1-CD2 3.73Å; Y37-F113 HydrophobicContact CD1-CD2 3.73Å; Y37-F113 AromaticContact CD1-CE1 3.35Å; Y37-F113 HydrophobicContact CD1-CE1 3.35Å; Y37-F113 AromaticContact CD1-CE2 3.87Å; Y37-F113 HydrophobicContact CD1-CE2 3.87Å; Y37-F113 AromaticContact CD1-CG 3.36Å; Y37-F113 HydrophobicContact CD1-CG 3.36Å; Y37-F113 AromaticContact CD1-CZ 3.65Å; Y37-F113 HydrophobicContact CD1-CZ 3.65Å; Y37-F113 HydrophobicContact CD2-CB 3.7Å; Y37-F113 HydrophobicContact CD2-CD1 4.41Å; Y37-F113 HydrophobicContact CD2-CD2 4Å; Y37-F113 AromaticContact CD2-CG 3.78Å; Y37-F113 HydrophobicContact CD2-CG 3.78Å; Y37-F113 HydrophobicContact CE1-CB 4.04Å; Y37-F113 AromaticContact CE1-CD1 3.32Å; Y37-F113 HydrophobicContact CE1-CD1 3.32Å; Y37-F113 HydrophobicContact CE1-CD2 4.49Å; Y37-F113 AromaticContact CE1-CE1 3.78Å; Y37-F113 HydrophobicContact CE1-CE1 3.78Å; Y37-F113 AromaticContact CE1-CG 3.69Å; Y37-F113 HydrophobicContact CE1-CG 3.69Å; Y37-F113 HydrophobicContact CE2-CB 3.68Å; Y37-F113 HydrophobicContact CE2-CD1 4.5Å; Y37-F113 HydrophobicContact CE2-CG 4.08Å; Y37-F113 HydrophobicContact CG-CB 3.93Å; Y37-F113 AromaticContact CG-CD1 3.83Å; Y37-F113 HydrophobicContact CG-CD1 3.83Å; Y37-F113 AromaticContact CG-CD2 3.46Å; Y37-F113 HydrophobicContact CG-CD2 3.46Å; Y37-F113 VanDerWaalsContact CG-CD2 3.46Å; Y37-F113 HydrophobicContact CG-CE1 4.12Å; Y37-F113 AromaticContact CG-CE2 3.8Å; Y37-F113 HydrophobicContact CG-CE2 3.8Å; Y37-F113 AromaticContact CG-CG 3.44Å; Y37-F113 HydrophobicContact CG-CG 3.44Å; Y37-F113 VanDerWaalsContact CG-CG 3.44Å; Y37-F113 HydrophobicContact CG-CZ 4.08Å
38R97.6Very high96.5Very high8 Ų855.3 Ų55.33%0.0326%0.263CS..Hα-helixtrans-61.4-36.6171.5-69.6174.874.3105.4-10.9111.8H34 T35 L41 L42 Y54 L59 I138 W140H34-R38 WeakPolarHBondContact O-CG 3.46Å; H34-R38 PolarHBondContact O-N 3.43Å; T35-R38 PolarHBondContact O-N 2.9Å; R38-L41 WeakPolarHBondContact O-CB 3.21Å; R38-L41 PolarHBondContact O-N 2.94Å; R38-L42 PolarHBondContact O-N 3.43Å; R38-Y54 HydrophobicContact CB-CE2 3.98Å; R38-Y54 HydrophobicContact CG-CE2 4.44Å; R38-L59 VanDerWaalsContact CD-CD1 3.46Å; R38-I138 PolarHBondContact NH1-O 3.4Å; R38-W140 PolarHBondContact NH1-O 3.08Å; R38-W140 PolarHBondContact NH2-O 3.4Å
39R96.8Very high96.8Very high80 Ų8048.3 Ų48.330%0.30224%0.237SC..Hα-helixtrans-70.1-32.4175.4-71.4169.5-177.7145.81.6113.1T35 D36 Y37 L41 L42 K43 E58T35-R39 VanDerWaalsContact O-CG 3.28Å; T35-R39 WeakPolarHBondContact O-CG 3.48Å; T35-R39 PolarHBondContact O-N 3Å; T35-R39 PolarHBondContact OG1-NH1 2.9Å; D36-R39 CarbonylContact O-C 3.57Å; D36-R39 WeakPolarHBondContact O-CA 3.22Å; D36-R39 WeakPolarHBondContact O-CB 3.25Å; D36-R39 PolarHBondContact O-N 2.89Å; D36-R39 VanDerWaalsContact O-N 3.12Å; D36-R39 IonicContact OD1-NH1 2.66Å; Y37-R39 VanDerWaalsContact C-N 3.27Å; Y37-R39 PolarHBondContact O-N 2.61Å; R39-L41 VanDerWaalsContact C-N 3.3Å; R39-L41 PolarHBondContact O-N 3.47Å; R39-L42 PolarHBondContact O-N 2.91Å; R39-K43 WeakPolarHBondContact O-CB 3.12Å; R39-K43 VanDerWaalsContact O-CG 3.28Å; R39-K43 WeakPolarHBondContact O-CG 3.24Å; R39-K43 PolarHBondContact O-N 3.48Å; R39-E58 IonicContact CZ-OE1 3.07Å; R39-E58 IonicContact CZ-OE2 3.57Å; R39-E58 IonicContact NE-OE1 2.98Å; R39-E58 PolarHBondContact NE-OE1 3.11Å; R39-E58 VanDerWaalsContact NE-OE1 3.07Å; R39-E58 IonicContact NH2-OE1 3.44Å; R39-E58 PolarHBondContact NH2-OE1 3.03Å; R39-E58 VanDerWaalsContact NH2-OE1 3.16Å; R39-E58 IonicContact NH2-OE2 3.16Å; R39-E58 PolarHBondContact NH2-OE2 3.04Å
40L97.4Very high96.8Very high65 Ų6547.5 Ų47.534%0.3423%0.232SC..Hα-helixtrans-61.7-40.3173.7-70.5-176.6000111.4D36 Y37 K43 C44 K45 V46 F113D36-L40 WeakPolarHBondContact O-CG 3.43Å; D36-L40 PolarHBondContact O-N 3.46Å; Y37-L40 HydrophobicContact CD1-CD1 4.01Å; Y37-L40 HydrophobicContact CE1-CD1 4.45Å; Y37-L40 PolarHBondContact O-N 2.86Å; L40-K43 CarbonylContact O-C 3.43Å; L40-K43 PolarHBondContact O-N 3.33Å; L40-C44 PolarHBondContact O-N 3.49Å; L40-K45 HydrophobicContact CB-CB 4.29Å; L40-K45 HydrophobicContact CD2-CB 4Å; L40-K45 HydrophobicContact CD2-CG 4.48Å; L40-K45 PolarHBondContact O-N 3.48Å; L40-V46 HydrophobicContact CB-CG2 3.89Å; L40-F113 HydrophobicContact CD1-CE1 4.37Å
41L96.9Very high96.8Very high1 Ų149.4 Ų49.41%0.00524%0.239CC..Hα-helixtrans-61.3-48.4173.5-82171.4000112Y37 R38 R39 K43 C44 V46 Q49 P52 V139 Y181Y37-L41 PolarHBondContact O-N 3.29Å; R38-L41 WeakPolarHBondContact O-CB 3.21Å; R38-L41 PolarHBondContact O-N 2.94Å; R39-L41 VanDerWaalsContact C-N 3.3Å; R39-L41 PolarHBondContact O-N 3.47Å; L41-K43 PolarHBondContact O-N 3.1Å; L41-C44 PolarHBondContact O-N 2.85Å; L41-V46 HydrophobicContact CD2-CB 3.86Å; L41-V46 HydrophobicContact CD2-CG1 4.31Å; L41-V46 HydrophobicContact CD2-CG2 3.83Å; L41-V46 HydrophobicContact CG-CB 4.47Å; L41-V46 HydrophobicContact CG-CG2 3.89Å; L41-Q49 HydrophobicContact CD2-CB 3.58Å; L41-Q49 HydrophobicContact CD2-CG 4.48Å; L41-P52 HydrophobicContact CB-CG 3.93Å; L41-V139 HydrophobicContact CD1-CB 3.68Å; L41-V139 HydrophobicContact CD1-CG1 3.43Å; L41-V139 VanDerWaalsContact CD1-CG1 3.43Å; L41-V139 HydrophobicContact CD1-CG2 4.42Å; L41-Y181 HydrophobicContact CD1-CE1 3.97Å
42L95.3Very high96.7Very high65 Ų6547.5 Ų47.534%0.3423%0.231SC..Hα-helixtrans-58.8-33.3176.8-68.4172.9000112.6R38 R39 C44 R51 P52 Y54R38-L42 PolarHBondContact O-N 3.43Å; R39-L42 PolarHBondContact O-N 2.91Å; L42-C44 VanDerWaalsContact C-N 3.29Å; L42-C44 PolarHBondContact O-N 2.88Å; L42-R51 PolarHBondContact O-NE 2.89Å; L42-R51 PolarHBondContact O-NH2 3.39Å; L42-P52 HydrophobicContact CD2-CG 3.9Å; L42-P52 HydrophobicContact CG-CG 4.36Å; L42-Y54 HydrophobicContact CD1-CD2 4.14Å; L42-Y54 HydrophobicContact CD1-CE2 4.3Å; L42-Y54 HydrophobicContact CD2-CD2 3.93Å; L42-Y54 HydrophobicContact CD2-CE2 4.17Å; L42-Y54 HydrophobicContact CG-CD2 4.15Å; L42-Y54 HydrophobicContact CG-CE2 4.05Å
43K95.6Very high96.6Very high135 Ų13549 Ų4959%0.58723%0.234SC*.THydrogen-bonded Turntrans-855.2178-67.4172.7-177.2176.40113.8R39 L40 L41 K45R39-K43 WeakPolarHBondContact O-CB 3.12Å; R39-K43 VanDerWaalsContact O-CG 3.28Å; R39-K43 WeakPolarHBondContact O-CG 3.24Å; R39-K43 PolarHBondContact O-N 3.48Å; L40-K43 CarbonylContact O-C 3.43Å; L40-K43 PolarHBondContact O-N 3.33Å; L41-K43 PolarHBondContact O-N 3.1Å; K43-K45 VanDerWaalsContact C-N 3.25Å; K43-K45 HydrophobicContact CB-CG 3.89Å; K43-K45 PolarHBondContact O-N 3.47Å
44C96.1Very high96.3Very high36 Ų3648.2 Ų48.224%0.24323%0.23CC..THydrogen-bonded Turntrans53.640.7-175.3-62.80000113.1L40 L41 L42 C189L40-C44 PolarHBondContact O-N 3.49Å; L41-C44 PolarHBondContact O-N 2.85Å; L42-C44 VanDerWaalsContact C-N 3.29Å; L42-C44 PolarHBondContact O-N 2.88Å; C44-C189 WeakPolarHBondContact CA-SG 3.06Å; C44-C189 HydrophobicContact CB-CB 3.72Å; C44-C189 WeakPolarHBondContact CB-SG 3.36Å; C44-C189 WeakPolarHBondContact SG-CA 2.98Å; C44-C189 WeakPolarHBondContact SG-CB 3.45Å; C44-C189 CovalentContact SG-SG 2.04Å; C44-C189 PolarHBondContact SG-SG 3.25Å
45K96.8Very high95.5Very high147 Ų14750.7 Ų50.764%0.63925%0.248SC*.  trans-102.42.2179.9-64.6-57.7-175.3-177.30113.9L40 K43L40-K45 HydrophobicContact CB-CB 4.29Å; L40-K45 HydrophobicContact CD2-CB 4Å; L40-K45 HydrophobicContact CD2-CG 4.48Å; L40-K45 PolarHBondContact O-N 3.48Å; K43-K45 VanDerWaalsContact C-N 3.25Å; K43-K45 HydrophobicContact CB-CG 3.89Å; K43-K45 PolarHBondContact O-N 3.47Å
46V96.8Very high94.8Very high2 Ų254.1 Ų54.11%0.01226%0.263CS..SBendtrans-105.2112.3175.7-170.70000107.6L40 L41 Q49 F113 Y116 H191L40-V46 HydrophobicContact CB-CG2 3.89Å; L41-V46 HydrophobicContact CD2-CB 3.86Å; L41-V46 HydrophobicContact CD2-CG1 4.31Å; L41-V46 HydrophobicContact CD2-CG2 3.83Å; L41-V46 HydrophobicContact CG-CB 4.47Å; L41-V46 HydrophobicContact CG-CG2 3.89Å; V46-Q49 HydrophobicContact CB-CB 4.15Å; V46-Q49 HydrophobicContact CB-CG 4.43Å; V46-Q49 HydrophobicContact CG1-CB 3.9Å; V46-Q49 HydrophobicContact CG1-CG 3.63Å; V46-Q49 PolarHBondContact O-N 3.43Å; V46-F113 HydrophobicContact CG1-CZ 4.36Å; V46-F113 HydrophobicContact CG2-CE1 4.3Å; V46-F113 HydrophobicContact CG2-CZ 3.64Å; V46-Y116 HydrophobicContact CG1-CD1 3.97Å; V46-Y116 HydrophobicContact CG1-CD2 3.46Å; V46-Y116 VanDerWaalsContact CG1-CD2 3.46Å; V46-Y116 HydrophobicContact CG1-CE1 4.24Å; V46-Y116 HydrophobicContact CG1-CE2 3.74Å; V46-Y116 HydrophobicContact CG1-CG 3.61Å; V46-H191 PolarHBondContact O-CE1 3.32Å
47P95.3Very high94.2Very high68 Ų6852 Ų5244%0.44226%0.259SS..THydrogen-bonded Turntrans-55.4142.1-179.8-25.834.5000112.4Q49 Y116P47-Q49 PolarHBondContact O-N 2.97Å; P47-Y116 HydrophobicContact CB-CE2 4.47Å; P47-Y116 HydrophobicContact CG-CE2 4.5Å
48E93.5Very high93.7Very high94 Ų9456.7 Ų56.744%0.43928%0.281SS..THydrogen-bonded Turntrans59.90.6176.4-55.4-55.4140.100116.4I194E48-I194 WeakPolarHBondContact OE2-CD1 3.45Å
49Q97Very high93.5Very high4 Ų456.6 Ų56.62%0.01928%0.282CS..PPolyproline II helixtrans-102.2127.6177.1-59.9-58.2-44.600110.2L41 V46 P47 Y116 Y119 Y135 H191L41-Q49 HydrophobicContact CD2-CB 3.58Å; L41-Q49 HydrophobicContact CD2-CG 4.48Å; V46-Q49 HydrophobicContact CB-CB 4.15Å; V46-Q49 HydrophobicContact CB-CG 4.43Å; V46-Q49 HydrophobicContact CG1-CB 3.9Å; V46-Q49 HydrophobicContact CG1-CG 3.63Å; V46-Q49 PolarHBondContact O-N 3.43Å; P47-Q49 PolarHBondContact O-N 2.97Å; Q49-Y116 HydrophobicContact CG-CD2 3.99Å; Q49-Y116 HydrophobicContact CG-CG 4.44Å; Q49-Y116 PolarHBondContact NE2-O 2.91Å; Q49-Y116 VanDerWaalsContact NE2-O 3.15Å; Q49-Y119 PolarHBondContact NE2-O 3.45Å; Q49-Y135 PolarHBondContact OE1-OH 2.93Å; Q49-H191 PolarHBondContact O-NE2 2.84Å
50P96.9Very high93.5Very high14 Ų1455.7 Ų55.79%0.09129%0.287CS..PPolyproline II helixtrans-72.2159-178.424.1-27.7000111.7P52 F121 Y181 E183P50-P52 WeakPolarHBondContact O-CD 3.4Å; P50-F121 HydrophobicContact CG-CB 4.31Å; P50-F121 HydrophobicContact CG-CD1 3.3Å; P50-F121 HydrophobicContact CG-CD2 3.86Å; P50-F121 HydrophobicContact CG-CE1 3.42Å; P50-F121 VanDerWaalsContact CG-CE1 3.42Å; P50-F121 HydrophobicContact CG-CE2 4.01Å; P50-F121 HydrophobicContact CG-CG 3.54Å; P50-F121 HydrophobicContact CG-CZ 3.79Å; P50-Y181 HydrophobicContact CG-CE2 4.06Å; P50-Y181 WeakPolarHBondContact O-CE2 3.46Å; P50-Y181 PolarHBondContact O-OH 2.82Å; P50-E183 HydrophobicContact CB-CB 4.15Å; P50-E183 HydrophobicContact CB-CG 3.77Å; P50-E183 HydrophobicContact CG-CB 4.34Å; P50-E183 HydrophobicContact CG-CG 4.46Å
51R97.1Very high93.4Very high41 Ų4155 Ų5516%0.15528%0.28CS..PPolyproline II helixtrans-63126173.5-179.9173.8-74.9141.1-20108.9L42 E183 N184 D187 C189L42-R51 PolarHBondContact O-NE 2.89Å; L42-R51 PolarHBondContact O-NH2 3.39Å; R51-E183 CarbonylContact O-C 3.6Å; R51-E183 WeakPolarHBondContact O-CA 3.47Å; R51-N184 HydrophobicContact CB-CB 4.32Å; R51-N184 HydrophobicContact CG-CB 4.07Å; R51-N184 PolarHBondContact O-N 3.18Å; R51-D187 WeakPolarHBondContact CD-O 3.5Å; R51-D187 IonicContact CZ-OD2 3.76Å; R51-D187 PolarHBondContact NH1-O 3.48Å; R51-D187 IonicContact NH1-OD1 3.69Å; R51-D187 PolarHBondContact NH1-OD1 3.46Å; R51-D187 IonicContact NH1-OD2 2.9Å; R51-D187 PolarHBondContact NH1-OD2 2.89Å; R51-D187 IonicContact NH2-OD2 2.78Å; R51-C189 VanDerWaalsContact CB-SG 3.56Å; R51-C189 PolarHBondContact N-SG 3.24Å
52P96.6Very high93.4Very high2 Ų256.3 Ų56.31%0.01329%0.287CS..BIsolated β-bridgetrans-74.8152.9175.228.9-34.2000111.4L41 L42 P50 Y54 Y181 V182L41-P52 HydrophobicContact CB-CG 3.93Å; L42-P52 HydrophobicContact CD2-CG 3.9Å; L42-P52 HydrophobicContact CG-CG 4.36Å; P50-P52 WeakPolarHBondContact O-CD 3.4Å; P52-Y54 HydrophobicContact CB-CD1 4.04Å; P52-Y54 HydrophobicContact CB-CD2 4.29Å; P52-Y54 HydrophobicContact CB-CE1 3.69Å; P52-Y54 HydrophobicContact CB-CE2 3.95Å; P52-Y54 HydrophobicContact CB-CG 4.33Å; P52-Y54 HydrophobicContact CG-CD1 4.5Å; P52-Y54 HydrophobicContact CG-CD2 3.95Å; P52-Y54 HydrophobicContact CG-CE1 4Å; P52-Y54 HydrophobicContact CG-CE2 3.35Å; P52-Y54 HydrophobicContact CG-CG 4.49Å; P52-Y181 HydrophobicContact CB-CD1 4.24Å; P52-Y181 HydrophobicContact CB-CD2 3.45Å; P52-Y181 VanDerWaalsContact CB-CD2 3.45Å; P52-Y181 HydrophobicContact CB-CE2 3.87Å; P52-Y181 HydrophobicContact CB-CG 3.64Å; P52-V182 CarbonylContact C-O 3.58Å; P52-V182 WeakPolarHBondContact CA-O 3.4Å
53F93.6Very high93.3Very high115 Ų11558.7 Ų58.750%0.50430%0.301SS..  trans-102.893.3159.4-177.8-97.1000108.5S55 V182 N184F53-S55 PolarHBondContact O-N 3.45Å; F53-S55 VanDerWaalsContact O-N 3.15Å; F53-V182 PolarHBondContact N-O 3.47Å; F53-N184 HydrophobicContact CB-CB 4.28Å
54Y91.4Very high93.3Very high32 Ų3256.5 Ų56.513%0.12529%0.292CS..  trans-7994.2176.8-65.9-48.6000110.4R38 L42 P52 E56 G57 D141R38-Y54 HydrophobicContact CB-CE2 3.98Å; R38-Y54 HydrophobicContact CG-CE2 4.44Å; L42-Y54 HydrophobicContact CD1-CD2 4.14Å; L42-Y54 HydrophobicContact CD1-CE2 4.3Å; L42-Y54 HydrophobicContact CD2-CD2 3.93Å; L42-Y54 HydrophobicContact CD2-CE2 4.17Å; L42-Y54 HydrophobicContact CG-CD2 4.15Å; L42-Y54 HydrophobicContact CG-CE2 4.05Å; P52-Y54 HydrophobicContact CB-CD1 4.04Å; P52-Y54 HydrophobicContact CB-CD2 4.29Å; P52-Y54 HydrophobicContact CB-CE1 3.69Å; P52-Y54 HydrophobicContact CB-CE2 3.95Å; P52-Y54 HydrophobicContact CB-CG 4.33Å; P52-Y54 HydrophobicContact CG-CD1 4.5Å; P52-Y54 HydrophobicContact CG-CD2 3.95Å; P52-Y54 HydrophobicContact CG-CE1 4Å; P52-Y54 HydrophobicContact CG-CE2 3.35Å; P52-Y54 HydrophobicContact CG-CG 4.49Å; Y54-E56 VanDerWaalsContact C-N 3.3Å; Y54-E56 PolarHBondContact O-N 3.24Å; Y54-G57 PolarHBondContact O-N 3Å; Y54-D141 HydrophobicContact CD1-CB 3.69Å; Y54-D141 HydrophobicContact CE1-CB 4.15Å
55S82Confident93.4Very high53 Ų5354.8 Ų54.837%0.37128%0.281SS..THydrogen-bonded Turntrans-65.5-32.4-178.158.60000113.4F53 K142F53-S55 PolarHBondContact O-N 3.45Å; F53-S55 VanDerWaalsContact O-N 3.15Å; S55-K142 PolarHBondContact OG-NZ 3.25Å
56E81.6Confident93.4Very high82 Ų8249.4 Ų49.438%0.38326%0.258SS..THydrogen-bonded Turntrans-91-3.4-177-41.7-49.8144.200113.1Y54 K142 E144Y54-E56 VanDerWaalsContact C-N 3.3Å; Y54-E56 PolarHBondContact O-N 3.24Å; E56-K142 HydrophobicContact CG-CD 4.08Å; E56-K142 IonicContact OE1-NZ 3.96Å; E56-K142 PolarHBondContact OE1-NZ 3.38Å; E56-E144 HydrophobicContact CB-CG 3.58Å; E56-E144 HydrophobicContact CG-CG 4.16Å
57G86Confident93.3Very high33 Ų3355.6 Ų55.634%0.3429%0.286SS..  trans91.2-151.4177.400000115.6Y54Y54-G57 PolarHBondContact O-N 3Å
58E88.4Confident93.4Very high113 Ų11352.5 Ų52.553%0.52827%0.266SS..SBendtrans-83.8147.7-179.7-64.7-161.6147.700111.1R39R39-E58 IonicContact CZ-OE1 3.07Å; R39-E58 IonicContact CZ-OE2 3.57Å; R39-E58 IonicContact NE-OE1 2.98Å; R39-E58 PolarHBondContact NE-OE1 3.11Å; R39-E58 VanDerWaalsContact NE-OE1 3.07Å; R39-E58 IonicContact NH2-OE1 3.44Å; R39-E58 PolarHBondContact NH2-OE1 3.03Å; R39-E58 VanDerWaalsContact NH2-OE1 3.16Å; R39-E58 IonicContact NH2-OE2 3.16Å; R39-E58 PolarHBondContact NH2-OE2 3.04Å
59L93Very high93.6Very high7 Ų748 Ų484%0.03725%0.245CC..  trans-60.3138.5173-76.8171.7000111.1F31 H34 R38 A143 E144 I146F31-L59 HydrophobicContact CE2-CB 4.34Å; F31-L59 WeakPolarHBondContact CE2-O 3.33Å; F31-L59 WeakPolarHBondContact CZ-O 3.38Å; H34-L59 HydrophobicContact CB-CD1 4.25Å; R38-L59 VanDerWaalsContact CD-CD1 3.46Å; L59-A143 HydrophobicContact CD2-CB 3.95Å; L59-A143 WeakPolarHBondContact CD2-O 3.28Å; L59-E144 CarbonylContact C-O 3.58Å; L59-E144 WeakPolarHBondContact CA-O 3.39Å; L59-I146 HydrophobicContact CB-CG2 4.24Å; L59-I146 HydrophobicContact CD1-CG2 4.39Å
60S95.4Very high93.6Very high60 Ų6048.8 Ų48.842%0.4225%0.254SS..EExtended strand (participates in β ladder)trans-112.5150.6172-63.40000110.8E144 F145 I146S60-E144 PolarHBondContact N-O 2.93Å; S60-F145 WeakPolarHBondContact O-CA 3.49Å; S60-I146 PolarHBondContact O-N 3.36Å
61W96.1Very high93.6Very high51 Ų5152.3 Ų52.319%0.19327%0.266CS..EExtended strand (participates in β ladder)trans-73.6140.7173.2-171.6-98.4000110.6G27 F31 D63 E66 I146 C148G27-W61 WeakPolarHBondContact O-CH2 3.35Å; G27-W61 WeakPolarHBondContact O-CZ3 3.47Å; F31-W61 HydrophobicContact CB-CE3 3.63Å; F31-W61 HydrophobicContact CB-CZ3 3.69Å; F31-W61 AromaticContact CD2-CE3 3.89Å; F31-W61 HydrophobicContact CD2-CE3 3.89Å; F31-W61 HydrophobicContact CE2-CB 4.48Å; F31-W61 AromaticContact CG-CE3 3.9Å; F31-W61 HydrophobicContact CG-CE3 3.9Å; F31-W61 HydrophobicContact CG-CZ3 4.45Å; W61-D63 PolarHBondContact NE1-OD1 3.39Å; W61-E66 HydrophobicContact CZ2-CB 3.81Å; W61-E66 VanDerWaalsContact CZ2-CD 3.42Å; W61-E66 HydrophobicContact CZ2-CG 3.83Å; W61-E66 WeakPolarHBondContact CZ2-OE2 3.31Å; W61-E66 PolarHBondContact NE1-OE2 2.55Å; W61-I146 WeakPolarHBondContact CA-O 3.43Å; W61-C148 HydrophobicContact CH2-CB 3.94Å; W61-C148 WeakPolarHBondContact CH2-O 3.27Å; W61-C148 HydrophobicContact CZ3-CB 4.14Å
62D96.3Very high93.6Very high29 Ų2950.3 Ų50.316%0.15526%0.258CS..  trans-127.9115.4176-175.5-38.6000109.9E64 L65 E66 Y91 F145 I146D62-E64 VanDerWaalsContact C-N 3.3Å; D62-E64 PolarHBondContact O-N 2.81Å; D62-E64 WeakPolarHBondContact OD1-CA 3.44Å; D62-E64 WeakPolarHBondContact OD1-CB 3.45Å; D62-E64 PolarHBondContact OD1-N 3.5Å; D62-L65 HydrophobicContact CB-CB 4.09Å; D62-L65 HydrophobicContact CB-CD1 4.07Å; D62-L65 HydrophobicContact CB-CG 4.04Å; D62-L65 PolarHBondContact O-N 2.91Å; D62-L65 PolarHBondContact OD1-N 2.95Å; D62-L65 VanDerWaalsContact OD1-N 3.11Å; D62-E66 PolarHBondContact O-N 3.24Å; D62-Y91 WeakPolarHBondContact OD2-CE2 3.05Å; D62-Y91 PolarHBondContact OD2-OH 3.38Å; D62-F145 HydrophobicContact CB-CB 3.92Å; D62-F145 HydrophobicContact CB-CD1 4.29Å; D62-F145 HydrophobicContact CB-CG 4.4Å; D62-I146 PolarHBondContact N-O 2.76Å
63D94.6Very high93.6Very high115 Ų11550.3 Ų50.362%0.61526%0.258SS*.Hα-helixtrans-66.9-29.6-177.1-64.8-24.5000112.1W61 E66 E67W61-D63 PolarHBondContact NE1-OD1 3.39Å; D63-E66 PolarHBondContact O-N 3.14Å; D63-E67 PolarHBondContact O-N 3.19Å
64E95.8Very high93.7Very high88 Ų8849.1 Ų49.141%0.41126%0.264SS..Hα-helixtrans-70.3-44175.5-171178.1164.200109.8D62 E66 E67 L68 Y91D62-E64 VanDerWaalsContact C-N 3.3Å; D62-E64 PolarHBondContact O-N 2.81Å; D62-E64 WeakPolarHBondContact OD1-CA 3.44Å; D62-E64 WeakPolarHBondContact OD1-CB 3.45Å; D62-E64 PolarHBondContact OD1-N 3.5Å; E64-E66 VanDerWaalsContact C-N 3.3Å; E64-E66 PolarHBondContact O-N 3.03Å; E64-E67 PolarHBondContact O-N 3.21Å; E64-L68 HydrophobicContact CG-CD1 4.19Å; E64-L68 WeakPolarHBondContact O-CB 3.43Å; E64-L68 WeakPolarHBondContact O-CG 3.26Å; E64-L68 PolarHBondContact O-N 3.13Å; E64-Y91 HydrophobicContact CB-CD2 4.26Å; E64-Y91 HydrophobicContact CB-CE2 4.18Å; E64-Y91 HydrophobicContact CG-CD2 3.91Å; E64-Y91 HydrophobicContact CG-CE2 4.33Å
65L96.9Very high93.9Very high0 Ų051.3 Ų51.30%028%0.281CS..Hα-helixtrans-61.5-36.6172.6-69.1-175.2000112.5D62 L68 A69 Y91 I95 F145 Y168D62-L65 HydrophobicContact CB-CB 4.09Å; D62-L65 HydrophobicContact CB-CD1 4.07Å; D62-L65 HydrophobicContact CB-CG 4.04Å; D62-L65 PolarHBondContact O-N 2.91Å; D62-L65 PolarHBondContact OD1-N 2.95Å; D62-L65 VanDerWaalsContact OD1-N 3.11Å; L65-L68 HydrophobicContact CD2-CD1 4.22Å; L65-L68 PolarHBondContact O-N 3.33Å; L65-A69 VanDerWaalsContact O-CB 3.31Å; L65-A69 WeakPolarHBondContact O-CB 3.09Å; L65-A69 PolarHBondContact O-N 2.91Å; L65-Y91 HydrophobicContact CD1-CE2 4.44Å; L65-Y91 HydrophobicContact CD2-CD1 3.95Å; L65-Y91 HydrophobicContact CD2-CD2 3.63Å; L65-Y91 HydrophobicContact CD2-CE1 3.8Å; L65-Y91 HydrophobicContact CD2-CE2 3.46Å; L65-Y91 VanDerWaalsContact CD2-CE2 3.46Å; L65-Y91 HydrophobicContact CD2-CG 3.87Å; L65-Y91 HydrophobicContact CG-CD2 4.2Å; L65-Y91 HydrophobicContact CG-CE1 4.32Å; L65-Y91 HydrophobicContact CG-CE2 3.55Å; L65-I95 HydrophobicContact CD2-CG2 4.43Å; L65-F145 HydrophobicContact CD1-CB 3.86Å; L65-Y168 HydrophobicContact CD2-CD2 4.45Å
66E96.3Very high94.6Very high35 Ų3549.4 Ų49.416%0.16427%0.267CS..Hα-helixtrans-61.6-47.8173.8172.7178.5-160.900111.2W61 D62 D63 E64 L68 A69 G70W61-E66 HydrophobicContact CZ2-CB 3.81Å; W61-E66 VanDerWaalsContact CZ2-CD 3.42Å; W61-E66 HydrophobicContact CZ2-CG 3.83Å; W61-E66 WeakPolarHBondContact CZ2-OE2 3.31Å; W61-E66 PolarHBondContact NE1-OE2 2.55Å; D62-E66 PolarHBondContact O-N 3.24Å; D63-E66 PolarHBondContact O-N 3.14Å; E64-E66 VanDerWaalsContact C-N 3.3Å; E64-E66 PolarHBondContact O-N 3.03Å; E66-L68 VanDerWaalsContact C-N 3.35Å; E66-L68 PolarHBondContact O-N 2.96Å; E66-A69 PolarHBondContact O-N 3.35Å; E66-G70 PolarHBondContact O-N 3.35Å
67E95.5Very high95.3Very high131 Ų13148.2 Ų48.261%0.61226%0.263SS*.Hα-helixtrans-60-46.6177.5-175.2179.4167.100110.9D63 E64 A69 G70 R71D63-E67 PolarHBondContact O-N 3.19Å; E64-E67 PolarHBondContact O-N 3.21Å; E67-A69 PolarHBondContact O-N 3.36Å; E67-G70 WeakPolarHBondContact O-CA 3.13Å; E67-G70 PolarHBondContact O-N 2.92Å; E67-G70 VanDerWaalsContact O-N 3.1Å; E67-R71 WeakPolarHBondContact O-CG 3.43Å; E67-R71 PolarHBondContact O-N 3.2Å
68L97.1Very high95.8Very high3 Ų348.6 Ų48.62%0.01626%0.258CS..Hα-helixtrans-60.4-44.4178.1-65.5170.8000111.9E64 L65 E66 G70 R71 Q72 I87 Y91 Y168E64-L68 HydrophobicContact CG-CD1 4.19Å; E64-L68 WeakPolarHBondContact O-CB 3.43Å; E64-L68 WeakPolarHBondContact O-CG 3.26Å; E64-L68 PolarHBondContact O-N 3.13Å; L65-L68 HydrophobicContact CD2-CD1 4.22Å; L65-L68 PolarHBondContact O-N 3.33Å; E66-L68 VanDerWaalsContact C-N 3.35Å; E66-L68 PolarHBondContact O-N 2.96Å; L68-G70 VanDerWaalsContact C-N 3.32Å; L68-G70 PolarHBondContact O-N 3.23Å; L68-R71 VanDerWaalsContact CD2-CZ 3.43Å; L68-R71 PolarHBondContact O-N 3.44Å; L68-Q72 PolarHBondContact O-N 2.96Å; L68-I87 HydrophobicContact CB-CG2 4.36Å; L68-I87 HydrophobicContact CD1-CG2 3.91Å; L68-I87 HydrophobicContact CD2-CG2 4.22Å; L68-I87 HydrophobicContact CG-CG2 4.39Å; L68-Y91 HydrophobicContact CD1-CD2 3.88Å; L68-Y91 HydrophobicContact CD1-CG 4.12Å; L68-Y168 HydrophobicContact CB-CD2 3.95Å; L68-Y168 HydrophobicContact CB-CE2 3.84Å
69A97.6Very high96.2Very high0 Ų045.7 Ų45.70%025%0.25CC..Hα-helixtrans-62-39.7173.500000111.6L65 E66 E67 R71 Q72 A73 V166 Y168L65-A69 VanDerWaalsContact O-CB 3.31Å; L65-A69 WeakPolarHBondContact O-CB 3.09Å; L65-A69 PolarHBondContact O-N 2.91Å; E66-A69 PolarHBondContact O-N 3.35Å; E67-A69 PolarHBondContact O-N 3.36Å; A69-R71 VanDerWaalsContact C-N 3.34Å; A69-R71 PolarHBondContact O-N 3.26Å; A69-Q72 PolarHBondContact O-N 3.37Å; A69-A73 WeakPolarHBondContact O-CB 3.41Å; A69-A73 PolarHBondContact O-N 3.1Å; A69-V166 HydrophobicContact CB-CB 4.25Å; A69-V166 HydrophobicContact CB-CG1 3.93Å; A69-Y168 HydrophobicContact CB-CD1 4.13Å; A69-Y168 HydrophobicContact CB-CE1 4.46Å; A69-Y168 HydrophobicContact CB-CG 4.31Å
70G96.6Very high96.3Very high20 Ų2047.2 Ų47.221%0.20626%0.261CS..Hα-helixtrans-61-38.8175.100000112.9E66 E67 L68 Q72 A73 S74 S149E66-G70 PolarHBondContact O-N 3.35Å; E67-G70 WeakPolarHBondContact O-CA 3.13Å; E67-G70 PolarHBondContact O-N 2.92Å; E67-G70 VanDerWaalsContact O-N 3.1Å; L68-G70 VanDerWaalsContact C-N 3.32Å; L68-G70 PolarHBondContact O-N 3.23Å; G70-Q72 PolarHBondContact O-N 2.92Å; G70-A73 PolarHBondContact O-N 2.92Å; G70-S74 WeakPolarHBondContact O-CB 3.1Å; G70-S74 PolarHBondContact O-N 3.39Å; G70-S149 VanDerWaalsContact CA-CB 3.45Å; G70-S149 WeakPolarHBondContact CA-OG 3.29Å; G70-S149 VanDerWaalsContact N-CB 3.33Å
71R97.2Very high96.3Very high88 Ų8848.9 Ų48.933%0.33226%0.262SS..Hα-helixtrans-62.2-42.3174-64.2-170.2-51-178.712.8111.7E67 L68 A69 S74 E90E67-R71 WeakPolarHBondContact O-CG 3.43Å; E67-R71 PolarHBondContact O-N 3.2Å; L68-R71 VanDerWaalsContact CD2-CZ 3.43Å; L68-R71 PolarHBondContact O-N 3.44Å; A69-R71 VanDerWaalsContact C-N 3.34Å; A69-R71 PolarHBondContact O-N 3.26Å; R71-S74 PolarHBondContact O-OG 3.37Å; R71-E90 IonicContact CZ-OE1 2.93Å; R71-E90 IonicContact CZ-OE2 3.42Å; R71-E90 IonicContact NH1-OE1 3.5Å; R71-E90 PolarHBondContact NH1-OE1 3.24Å; R71-E90 IonicContact NH1-OE2 3.7Å; R71-E90 PolarHBondContact NH1-OE2 3.2Å; R71-E90 VanDerWaalsContact NH2-CD 3.26Å; R71-E90 IonicContact NH2-OE1 3.34Å; R71-E90 PolarHBondContact NH2-OE1 3.01Å; R71-E90 IonicContact NH2-OE2 3.4Å; R71-E90 PolarHBondContact NH2-OE2 3.06Å
72Q97.8Very high96.4Very high0 Ų048.1 Ų48.10%026%0.259CS..Hα-helixtrans-66.3-44.2173.8180169.5-8.500112.2L68 A69 G70 S74 V75 C76 N77 S79 Y82 V166 Y168L68-Q72 PolarHBondContact O-N 2.96Å; A69-Q72 PolarHBondContact O-N 3.37Å; G70-Q72 PolarHBondContact O-N 2.92Å; Q72-S74 VanDerWaalsContact C-N 3.29Å; Q72-S74 PolarHBondContact O-N 2.91Å; Q72-V75 WeakPolarHBondContact O-CG2 3.5Å; Q72-V75 PolarHBondContact O-N 2.83Å; Q72-C76 PolarHBondContact O-N 2.71Å; Q72-N77 HydrophobicContact CG-CB 4.37Å; Q72-N77 PolarHBondContact NE2-O 2.91Å; Q72-S79 PolarHBondContact NE2-O 2.91Å; Q72-Y82 HydrophobicContact CB-CD1 3.51Å; Q72-Y82 HydrophobicContact CB-CE1 3.59Å; Q72-Y82 HydrophobicContact CB-CG 4.29Å; Q72-Y82 VanDerWaalsContact CD-CB 3.43Å; Q72-Y82 HydrophobicContact CG-CD1 3.49Å; Q72-Y82 VanDerWaalsContact CG-CD1 3.49Å; Q72-Y82 HydrophobicContact CG-CD2 4.43Å; Q72-Y82 HydrophobicContact CG-CE1 3.95Å; Q72-Y82 HydrophobicContact CG-CG 3.75Å; Q72-V166 HydrophobicContact CB-CG1 4.27Å; Q72-V166 HydrophobicContact CB-CG2 4.5Å; Q72-V166 HydrophobicContact CG-CG1 4.32Å; Q72-V166 HydrophobicContact CG-CG2 4.2Å; Q72-Y168 VanDerWaalsContact OE1-CZ 3.32Å; Q72-Y168 PolarHBondContact OE1-OH 3.2Å
73A96.7Very high96.4Very high1 Ų151.8 Ų51.81%0.00827%0.274CS..Hα-helixtrans-60.7-39179.800000111.7A69 G70 V75 C76 I164 V166A69-A73 WeakPolarHBondContact O-CB 3.41Å; A69-A73 PolarHBondContact O-N 3.1Å; G70-A73 PolarHBondContact O-N 2.92Å; A73-V75 PolarHBondContact O-N 3.14Å; A73-C76 PolarHBondContact O-N 2.91Å; A73-I164 HydrophobicContact CB-CG2 4.03Å; A73-I164 WeakPolarHBondContact O-CG2 3.33Å; A73-V166 HydrophobicContact CB-CG2 3.98Å
74S95.4Very high96.5Very high90 Ų9048.6 Ų48.663%0.62926%0.255SS*.Hα-helixtrans-63.1-24.8179.1760000114.5G70 R71 Q72G70-S74 WeakPolarHBondContact O-CB 3.1Å; G70-S74 PolarHBondContact O-N 3.39Å; R71-S74 PolarHBondContact O-OG 3.37Å; Q72-S74 VanDerWaalsContact C-N 3.29Å; Q72-S74 PolarHBondContact O-N 2.91Å
75V96Very high96.6Very high79 Ų7950 Ų5048%0.47927%0.269SS..THydrogen-bonded Turntrans-102.65.6176.8-590000112.8Q72 A73 N77 Y82Q72-V75 WeakPolarHBondContact O-CG2 3.5Å; Q72-V75 PolarHBondContact O-N 2.83Å; A73-V75 PolarHBondContact O-N 3.14Å; V75-N77 VanDerWaalsContact C-N 3.28Å; V75-N77 HydrophobicContact CG2-CB 4.08Å; V75-N77 PolarHBondContact O-N 3.45Å; V75-Y82 HydrophobicContact CG2-CE2 3.77Å; V75-Y82 WeakPolarHBondContact CG2-OH 3.33Å
76C96.7Very high96.7Very high13 Ų1355.3 Ų55.39%0.08829%0.294CS..THydrogen-bonded Turntrans55.239.1173.4-65.50000114.5Q72 A73 C153 T157 V159Q72-C76 PolarHBondContact O-N 2.71Å; A73-C76 PolarHBondContact O-N 2.91Å; C76-C153 HydrophobicContact CB-CB 3.83Å; C76-C153 WeakPolarHBondContact CB-SG 3.41Å; C76-C153 WeakPolarHBondContact SG-CA 3.26Å; C76-C153 WeakPolarHBondContact SG-CB 3.14Å; C76-C153 CovalentContact SG-SG 2.03Å; C76-C153 PolarHBondContact SG-SG 3.21Å; C76-T157 HydrophobicContact CB-CG2 3.68Å; C76-V159 HydrophobicContact CB-CG2 4.22Å
77N96.5Very high96.8Very high56 Ų5653.8 Ų53.830%0.29929%0.287SS..  trans-97.5116.5-177.6-167.6-53.6000111.3Q72 V75 S79 Y82 I164Q72-N77 HydrophobicContact CG-CB 4.37Å; Q72-N77 PolarHBondContact NE2-O 2.91Å; V75-N77 VanDerWaalsContact C-N 3.28Å; V75-N77 HydrophobicContact CG2-CB 4.08Å; V75-N77 PolarHBondContact O-N 3.45Å; N77-S79 VanDerWaalsContact C-N 3.3Å; N77-S79 PolarHBondContact O-N 2.94Å; N77-S79 WeakPolarHBondContact OD1-CB 3.4Å; N77-S79 PolarHBondContact OD1-N 3.42Å; N77-Y82 HydrophobicContact CB-CD2 3.77Å; N77-Y82 HydrophobicContact CB-CE2 4.13Å; N77-Y82 HydrophobicContact CB-CG 4.43Å; N77-I164 VanDerWaalsContact C-CD1 3.49Å; N77-I164 VanDerWaalsContact O-CD1 3.24Å; N77-I164 WeakPolarHBondContact O-CD1 3.22Å
78L95.9Very high96.9Very high42 Ų4249.9 Ų49.922%0.2227%0.269CS..  trans-81.6-0.7-179.2-72.3166.5000114.2S80 T99 D101 E158 V159 I164L78-S80 PolarHBondContact O-N 2.8Å; L78-T99 WeakPolarHBondContact O-CB 3.2Å; L78-T99 PolarHBondContact O-OG1 3.36Å; L78-D101 HydrophobicContact CD1-CB 4.05Å; L78-D101 HydrophobicContact CD2-CB 4.04Å; L78-E158 HydrophobicContact CD1-CB 4.37Å; L78-V159 HydrophobicContact CD1-CG2 3.98Å; L78-V159 HydrophobicContact CD2-CG2 4.26Å; L78-V159 HydrophobicContact CG-CG2 3.9Å; L78-I164 HydrophobicContact CD2-CD1 3.83Å; L78-I164 HydrophobicContact CD2-CG1 3.89Å; L78-I164 HydrophobicContact CG-CD1 4.15Å
79S96.6Very high96.9Very high51 Ų5158 Ų5836%0.35730%0.304SS..  trans-67.6130.4-177.9-176.20000111.8Q72 N77 E81 Y82Q72-S79 PolarHBondContact NE2-O 2.91Å; N77-S79 VanDerWaalsContact C-N 3.3Å; N77-S79 PolarHBondContact O-N 2.94Å; N77-S79 WeakPolarHBondContact OD1-CB 3.4Å; N77-S79 PolarHBondContact OD1-N 3.42Å; S79-E81 PolarHBondContact O-N 3.02Å; S79-E81 PolarHBondContact OG-N 3.03Å; S79-E81 VanDerWaalsContact OG-N 3.11Å; S79-Y82 PolarHBondContact O-N 2.96Å
80S94.9Very high96.9Very high39 Ų3962.3 Ų62.327%0.27332%0.324SS..THydrogen-bonded Turntrans-73.50.4168.854.80000113.4L78L78-S80 PolarHBondContact O-N 2.8Å
81E96.2Very high96.9Very high95 Ų9562.7 Ų62.744%0.44432%0.319SS..THydrogen-bonded Turntrans-123.718178.3-63.7-65.9139.900111.5S79 K83 K84S79-E81 PolarHBondContact O-N 3.02Å; S79-E81 PolarHBondContact OG-N 3.03Å; S79-E81 VanDerWaalsContact OG-N 3.11Å; E81-K83 PolarHBondContact O-N 3.48Å; E81-K84 PolarHBondContact O-N 3.39Å; E81-K84 IonicContact OE1-NZ 3.27Å; E81-K84 PolarHBondContact OE1-NZ 2.96Å; E81-K84 WeakPolarHBondContact OE2-CD 3.34Å; E81-K84 IonicContact OE2-NZ 2.68Å; E81-K84 PolarHBondContact OE2-NZ 2.89Å
82Y97.5Very high96.9Very high35 Ų3569.3 Ų69.314%0.13734%0.344CS..THydrogen-bonded Turntrans-55.5110.3179.2173.2-101.8000111.4Q72 V75 N77 S79 K84 I87Q72-Y82 HydrophobicContact CB-CD1 3.51Å; Q72-Y82 HydrophobicContact CB-CE1 3.59Å; Q72-Y82 HydrophobicContact CB-CG 4.29Å; Q72-Y82 VanDerWaalsContact CD-CB 3.43Å; Q72-Y82 HydrophobicContact CG-CD1 3.49Å; Q72-Y82 VanDerWaalsContact CG-CD1 3.49Å; Q72-Y82 HydrophobicContact CG-CD2 4.43Å; Q72-Y82 HydrophobicContact CG-CE1 3.95Å; Q72-Y82 HydrophobicContact CG-CG 3.75Å; V75-Y82 HydrophobicContact CG2-CE2 3.77Å; V75-Y82 WeakPolarHBondContact CG2-OH 3.33Å; N77-Y82 HydrophobicContact CB-CD2 3.77Å; N77-Y82 HydrophobicContact CB-CE2 4.13Å; N77-Y82 HydrophobicContact CB-CG 4.43Å; S79-Y82 PolarHBondContact O-N 2.96Å; Y82-K84 PolarHBondContact O-N 3.22Å; Y82-I87 HydrophobicContact CD1-CD1 4.06Å; Y82-I87 HydrophobicContact CE1-CD1 4.33Å; Y82-I87 WeakPolarHBondContact O-CD1 3.43Å
83K97.6Very high96.8Very high107 Ų10770.4 Ų70.447%0.46536%0.356SS..THydrogen-bonded Turntrans47.627177-65.7-176.3158.9-129.90114.5E81 T85 E86 I87E81-K83 PolarHBondContact O-N 3.48Å; K83-T85 VanDerWaalsContact C-N 3.31Å; K83-T85 PolarHBondContact O-N 2.58Å; K83-T85 VanDerWaalsContact O-N 3.13Å; K83-E86 HydrophobicContact CB-CB 4.39Å; K83-E86 WeakPolarHBondContact CD-OE2 3.49Å; K83-E86 IonicContact NZ-OE2 3.4Å; K83-E86 PolarHBondContact NZ-OE2 3.31Å; K83-E86 WeakPolarHBondContact O-CA 3.37Å; K83-E86 WeakPolarHBondContact O-CB 3.35Å; K83-E86 PolarHBondContact O-N 3.42Å; K83-I87 HydrophobicContact CB-CD1 4.2Å; K83-I87 HydrophobicContact CB-CG1 4.24Å; K83-I87 WeakPolarHBondContact O-CG1 3.47Å; K83-I87 PolarHBondContact O-N 2.89Å
84K96.6Very high96.9Very high48 Ų4876.3 Ų76.321%0.20938%0.383CS..Hα-helixtrans-51.3-47.9-166.3-170.9178.8-175.3179.30112.9E81 Y82 E86 I87 E88 I95E81-K84 PolarHBondContact O-N 3.39Å; E81-K84 IonicContact OE1-NZ 3.27Å; E81-K84 PolarHBondContact OE1-NZ 2.96Å; E81-K84 WeakPolarHBondContact OE2-CD 3.34Å; E81-K84 IonicContact OE2-NZ 2.68Å; E81-K84 PolarHBondContact OE2-NZ 2.89Å; Y82-K84 PolarHBondContact O-N 3.22Å; K84-E86 PolarHBondContact O-N 3.11Å; K84-I87 PolarHBondContact O-N 2.85Å; K84-E88 HydrophobicContact CG-CG 4.21Å; K84-E88 WeakPolarHBondContact O-CB 3.36Å; K84-E88 VanDerWaalsContact O-CG 3.28Å; K84-E88 WeakPolarHBondContact O-CG 3.35Å; K84-E88 PolarHBondContact O-N 3.45Å; K84-I95 WeakPolarHBondContact CE-O 3.24Å; K84-I95 HydrophobicContact CG-CD1 4.24Å; K84-I95 HydrophobicContact CG-CG1 3.99Å
85T97.6Very high97Very high116 Ų11672 Ų7271%0.71235%0.353SS*.Hα-helixtrans-61.3-37.2178-50.90000114K83 K89K83-T85 VanDerWaalsContact C-N 3.31Å; K83-T85 PolarHBondContact O-N 2.58Å; K83-T85 VanDerWaalsContact O-N 3.13Å; T85-K89 WeakPolarHBondContact O-CB 3.34Å; T85-K89 PolarHBondContact O-N 3Å
86E98.1Very high97.1Very high113 Ų11368.3 Ų68.353%0.52833%0.331SS..Hα-helixtrans-67.6-44.2176.4-63.3177.7178.900110.1K83 K84 K89 E90K83-E86 HydrophobicContact CB-CB 4.39Å; K83-E86 WeakPolarHBondContact CD-OE2 3.49Å; K83-E86 IonicContact NZ-OE2 3.4Å; K83-E86 PolarHBondContact NZ-OE2 3.31Å; K83-E86 WeakPolarHBondContact O-CA 3.37Å; K83-E86 WeakPolarHBondContact O-CB 3.35Å; K83-E86 PolarHBondContact O-N 3.42Å; K84-E86 PolarHBondContact O-N 3.11Å; E86-K89 WeakPolarHBondContact O-CB 3.44Å; E86-K89 PolarHBondContact O-N 3.21Å; E86-E90 PolarHBondContact O-N 2.99Å
87I98Very high97.2Very high3 Ų367.8 Ų67.82%0.01533%0.327CS..Hα-helixtrans-68.4-45.1-178.4-61.9179.5000111.1L68 Y82 K83 K84 K89 E90 Y91 I95 Y168L68-I87 HydrophobicContact CB-CG2 4.36Å; L68-I87 HydrophobicContact CD1-CG2 3.91Å; L68-I87 HydrophobicContact CD2-CG2 4.22Å; L68-I87 HydrophobicContact CG-CG2 4.39Å; Y82-I87 HydrophobicContact CD1-CD1 4.06Å; Y82-I87 HydrophobicContact CE1-CD1 4.33Å; Y82-I87 WeakPolarHBondContact O-CD1 3.43Å; K83-I87 HydrophobicContact CB-CD1 4.2Å; K83-I87 HydrophobicContact CB-CG1 4.24Å; K83-I87 WeakPolarHBondContact O-CG1 3.47Å; K83-I87 PolarHBondContact O-N 2.89Å; K84-I87 PolarHBondContact O-N 2.85Å; I87-K89 PolarHBondContact O-N 3.3Å; I87-E90 PolarHBondContact O-N 3.07Å; I87-E90 VanDerWaalsContact O-N 3.11Å; I87-Y91 WeakPolarHBondContact O-CB 3.35Å; I87-Y91 PolarHBondContact O-N 2.03Å; I87-I95 HydrophobicContact CB-CD1 3.77Å; I87-I95 HydrophobicContact CG2-CD1 3.32Å; I87-Y168 HydrophobicContact CD1-CE2 3.77Å; I87-Y168 WeakPolarHBondContact CD1-OH 3.3Å; I87-Y168 HydrophobicContact CG2-CD2 4.28Å; I87-Y168 HydrophobicContact CG2-CE2 3.71Å
88E98.1Very high97.3Very high49 Ų4965.1 Ų65.123%0.22931%0.313CS..Hα-helixtrans-60.6-34.6176.3-72179.8153.100111.8K84 R92 G93 I95K84-E88 HydrophobicContact CG-CG 4.21Å; K84-E88 WeakPolarHBondContact O-CB 3.36Å; K84-E88 VanDerWaalsContact O-CG 3.28Å; K84-E88 WeakPolarHBondContact O-CG 3.35Å; K84-E88 PolarHBondContact O-N 3.45Å; E88-R92 VanDerWaalsContact O-CA 3.28Å; E88-R92 WeakPolarHBondContact O-CA 3.49Å; E88-R92 PolarHBondContact O-N 2.85Å; E88-G93 VanDerWaalsContact CA-O 3.3Å; E88-G93 WeakPolarHBondContact CA-O 3.44Å; E88-G93 VanDerWaalsContact CB-O 3.3Å; E88-G93 WeakPolarHBondContact CB-O 3.48Å; E88-G93 WeakPolarHBondContact CG-O 3.45Å; E88-G93 PolarHBondContact O-N 3.44Å; E88-I95 HydrophobicContact CG-CB 4.35Å; E88-I95 HydrophobicContact CG-CD1 4.1Å; E88-I95 HydrophobicContact CG-CG1 3.72Å; E88-I95 HydrophobicContact CG-CG2 4.23Å; E88-I95 PolarHBondContact OE1-N 3.03Å; E88-I95 VanDerWaalsContact OE1-N 3.11Å
89K97.8Very high97.4Very high174 Ų17463.6 Ų63.676%0.75731%0.306SS*.Hα-helixtrans-69.5-40.9174.4-178.4-177.4176.5-175.20112.2T85 E86 I87T85-K89 WeakPolarHBondContact O-CB 3.34Å; T85-K89 PolarHBondContact O-N 3Å; E86-K89 WeakPolarHBondContact O-CB 3.44Å; E86-K89 PolarHBondContact O-N 3.21Å; I87-K89 PolarHBondContact O-N 3.3Å
90E97.5Very high97.4Very high89 Ų8961.4 Ų61.442%0.41629%0.29SS..Hα-helixtrans-66.9-52.2178.4-174.4171.6165.700111.2R71 E86 I87 R92R71-E90 IonicContact CZ-OE1 2.93Å; R71-E90 IonicContact CZ-OE2 3.42Å; R71-E90 IonicContact NH1-OE1 3.5Å; R71-E90 PolarHBondContact NH1-OE1 3.24Å; R71-E90 IonicContact NH1-OE2 3.7Å; R71-E90 PolarHBondContact NH1-OE2 3.2Å; R71-E90 VanDerWaalsContact NH2-CD 3.26Å; R71-E90 IonicContact NH2-OE1 3.34Å; R71-E90 PolarHBondContact NH2-OE1 3.01Å; R71-E90 IonicContact NH2-OE2 3.4Å; R71-E90 PolarHBondContact NH2-OE2 3.06Å; E86-E90 PolarHBondContact O-N 2.99Å; I87-E90 PolarHBondContact O-N 3.07Å; I87-E90 VanDerWaalsContact O-N 3.11Å; E90-R92 VanDerWaalsContact C-N 3.28Å; E90-R92 PolarHBondContact O-N 3.4Å
91Y96.4Very high97.5Very high28 Ų2861 Ų6111%0.1129%0.285CS..Hα-helixtrans-72.8-17.5179.8-173.5-105.8000113.8D62 E64 L65 L68 I87 G93 I95 S170D62-Y91 WeakPolarHBondContact OD2-CE2 3.05Å; D62-Y91 PolarHBondContact OD2-OH 3.38Å; E64-Y91 HydrophobicContact CB-CD2 4.26Å; E64-Y91 HydrophobicContact CB-CE2 4.18Å; E64-Y91 HydrophobicContact CG-CD2 3.91Å; E64-Y91 HydrophobicContact CG-CE2 4.33Å; L65-Y91 HydrophobicContact CD1-CE2 4.44Å; L65-Y91 HydrophobicContact CD2-CD1 3.95Å; L65-Y91 HydrophobicContact CD2-CD2 3.63Å; L65-Y91 HydrophobicContact CD2-CE1 3.8Å; L65-Y91 HydrophobicContact CD2-CE2 3.46Å; L65-Y91 VanDerWaalsContact CD2-CE2 3.46Å; L65-Y91 HydrophobicContact CD2-CG 3.87Å; L65-Y91 HydrophobicContact CG-CD2 4.2Å; L65-Y91 HydrophobicContact CG-CE1 4.32Å; L65-Y91 HydrophobicContact CG-CE2 3.55Å; L68-Y91 HydrophobicContact CD1-CD2 3.88Å; L68-Y91 HydrophobicContact CD1-CG 4.12Å; I87-Y91 WeakPolarHBondContact O-CB 3.35Å; I87-Y91 PolarHBondContact O-N 2.03Å; Y91-G93 VanDerWaalsContact C-N 3.33Å; Y91-G93 PolarHBondContact O-N 3.4Å; Y91-I95 HydrophobicContact CD1-CG2 4.08Å; Y91-S170 VanDerWaalsContact CE1-CB 3.5Å; Y91-S170 WeakPolarHBondContact CE1-OG 3.26Å
92R97.5Very high97.5Very high227 Ų22758.5 Ų58.586%0.85728%0.275SS*.THydrogen-bonded Turntrans62.335.7-178.9-49.5172.1-175.8-94.9-2.2113.4E88 E90E88-R92 VanDerWaalsContact O-CA 3.28Å; E88-R92 WeakPolarHBondContact O-CA 3.49Å; E88-R92 PolarHBondContact O-N 2.85Å; E90-R92 VanDerWaalsContact C-N 3.28Å; E90-R92 PolarHBondContact O-N 3.4Å
93G96Very high97.3Very high23 Ų2360.7 Ų60.724%0.23730%0.295CS..SBendtrans-157.1161.3-179.900000112.1E88 Y91E88-G93 VanDerWaalsContact CA-O 3.3Å; E88-G93 WeakPolarHBondContact CA-O 3.44Å; E88-G93 VanDerWaalsContact CB-O 3.3Å; E88-G93 WeakPolarHBondContact CB-O 3.48Å; E88-G93 WeakPolarHBondContact CG-O 3.45Å; E88-G93 PolarHBondContact O-N 3.44Å; Y91-G93 VanDerWaalsContact C-N 3.33Å; Y91-G93 PolarHBondContact O-N 3.4Å
94Q97.6Very high97.1Very high125 Ų12558.5 Ų58.558%0.58429%0.289SS*.  trans-80131.3175.8-63.3-177-58.200110.1S170 P171 M172Q94-S170 PolarHBondContact O-OG 2.98Å; Q94-P171 WeakPolarHBondContact O-CA 3.35Å; Q94-M172 WeakPolarHBondContact CB-O 3.01Å; Q94-M172 PolarHBondContact O-N 3.47Å; Q94-M172 PolarHBondContact OE1-O 3.45Å
95I98.3Very high97Very high1 Ų156.9 Ų56.91%0.00528%0.283CS..  trans-116.6148-173.473.1-175.8000112.9L65 K84 I87 E88 Y91 I97 Y168 Y169L65-I95 HydrophobicContact CD2-CG2 4.43Å; K84-I95 WeakPolarHBondContact CE-O 3.24Å; K84-I95 HydrophobicContact CG-CD1 4.24Å; K84-I95 HydrophobicContact CG-CG1 3.99Å; I87-I95 HydrophobicContact CB-CD1 3.77Å; I87-I95 HydrophobicContact CG2-CD1 3.32Å; E88-I95 HydrophobicContact CG-CB 4.35Å; E88-I95 HydrophobicContact CG-CD1 4.1Å; E88-I95 HydrophobicContact CG-CG1 3.72Å; E88-I95 HydrophobicContact CG-CG2 4.23Å; E88-I95 PolarHBondContact OE1-N 3.03Å; E88-I95 VanDerWaalsContact OE1-N 3.11Å; Y91-I95 HydrophobicContact CD1-CG2 4.08Å; I95-I97 HydrophobicContact CD1-CD1 4.26Å; I95-I97 HydrophobicContact CD1-CG1 4.36Å; I95-I97 HydrophobicContact CG1-CG1 4.43Å; I95-Y168 HydrophobicContact CD1-CD2 4.17Å; I95-Y168 HydrophobicContact CD1-CE2 4.05Å; I95-Y169 CarbonylContact C-O 3.48Å; I95-Y169 VanDerWaalsContact CA-O 3.28Å; I95-Y169 WeakPolarHBondContact CA-O 3.5Å
96G98.2Very high97Very high1 Ų154.8 Ų54.81%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-107.1147.716400000110Y168 Y169G96-Y168 CarbonylContact O-C 3.52Å; G96-Y168 VanDerWaalsContact O-CA 3.28Å; G96-Y168 WeakPolarHBondContact O-CA 3.48Å; G96-Y169 PolarHBondContact N-O 3.34Å; G96-Y169 WeakPolarHBondContact O-CD2 3.21Å; G96-Y169 PolarHBondContact O-N 3.39Å
97I98.4Very high96.9Very high1 Ų153.2 Ų53.21%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-128126178.7-52.7177000109.2I95 T99 R137 V166 C167 Y168I95-I97 HydrophobicContact CD1-CD1 4.26Å; I95-I97 HydrophobicContact CD1-CG1 4.36Å; I95-I97 HydrophobicContact CG1-CG1 4.43Å; I97-T99 HydrophobicContact CG2-CG2 3.85Å; I97-R137 VanDerWaalsContact O-CZ 3.32Å; I97-R137 PolarHBondContact O-NE 2.9Å; I97-R137 PolarHBondContact O-NH1 3.43Å; I97-V166 HydrophobicContact CG2-CG1 4.34Å; I97-C167 WeakPolarHBondContact CA-O 3.47Å; I97-Y168 HydrophobicContact CB-CD1 4.25Å; I97-Y168 HydrophobicContact CB-CE1 4.1Å; I97-Y168 HydrophobicContact CD1-CD1 4.48Å; I97-Y168 HydrophobicContact CD1-CE1 3.75Å; I97-Y168 HydrophobicContact CG1-CD1 3.84Å; I97-Y168 HydrophobicContact CG1-CE1 3.59Å; I97-Y168 HydrophobicContact CG1-CG 4.44Å; I97-Y168 HydrophobicContact CG2-CD1 3.91Å; I97-Y168 HydrophobicContact CG2-CE1 3.54Å
98N98.4Very high96.9Very high0 Ų053.2 Ų53.20%026%0.262CS..EExtended strand (participates in β ladder)trans-109.3135.8162-79.9-13.5000109.5W112 H134 R137 V166 C167 Y169N98-W112 HydrophobicContact CB-CD2 4.17Å; N98-W112 HydrophobicContact CB-CE3 4.08Å; N98-W112 HydrophobicContact CB-CH2 3.8Å; N98-W112 HydrophobicContact CB-CZ2 3.89Å; N98-W112 HydrophobicContact CB-CZ3 3.9Å; N98-H134 PolarHBondContact ND2-O 3.46Å; N98-H134 VanDerWaalsContact ND2-O 3.13Å; N98-H134 WeakPolarHBondContact OD1-CA 3.46Å; N98-H134 PolarHBondContact OD1-CD2 3.09Å; N98-H134 VanDerWaalsContact OD1-CD2 3.26Å; N98-R137 WeakPolarHBondContact OD1-CD 3.29Å; N98-R137 PolarHBondContact OD1-NH1 3.2Å; N98-V166 WeakPolarHBondContact O-CA 3.18Å; N98-C167 PolarHBondContact N-O 3.09Å; N98-C167 PolarHBondContact O-N 2.68Å; N98-Y169 HydrophobicContact CB-CE2 3.92Å; N98-Y169 PolarHBondContact ND2-OH 2.94Å
99T98.1Very high96.8Very high11 Ų1150.9 Ų50.97%0.06725%0.251CS..EExtended strand (participates in β ladder)trans-131148.2177.9540000110.8L78 I97 W112 I165 V166L78-T99 WeakPolarHBondContact O-CB 3.2Å; L78-T99 PolarHBondContact O-OG1 3.36Å; I97-T99 HydrophobicContact CG2-CG2 3.85Å; T99-W112 VanDerWaalsContact C-CZ2 3.44Å; T99-W112 PolarHBondContact O-NE1 2.92Å; T99-I165 CarbonylContact C-O 3.52Å; T99-I165 VanDerWaalsContact CA-O 3.24Å; T99-I165 WeakPolarHBondContact CA-O 3.23Å; T99-V166 HydrophobicContact CG2-CG1 4.43Å; T99-V166 HydrophobicContact CG2-CG2 4.33Å
100A97.4Very high96.8Very high4 Ų446.3 Ų46.33%0.03323%0.232CC..EExtended strand (participates in β ladder)trans-145.7138.3174.300000111.5A108 W112 I164 I165A100-A108 HydrophobicContact CB-CB 3.87Å; A100-W112 HydrophobicContact CB-CZ2 3.55Å; A100-I164 WeakPolarHBondContact O-CA 3.32Å; A100-I165 HydrophobicContact CB-CB 4.4Å; A100-I165 PolarHBondContact N-O 3.36Å; A100-I165 PolarHBondContact O-N 3.07Å
101D96.7Very high96.8Very high31 Ų3145.5 Ų45.517%0.16624%0.237CC..EExtended strand (participates in β ladder)trans-88.296.1161.1177.313.7000108L78 V159 K160 S161L78-D101 HydrophobicContact CD1-CB 4.05Å; L78-D101 HydrophobicContact CD2-CB 4.04Å; D101-V159 HydrophobicContact CB-CG1 4.35Å; D101-V159 VanDerWaalsContact OD1-CG1 3.25Å; D101-V159 WeakPolarHBondContact OD1-CG1 3.36Å; D101-K160 VanDerWaalsContact CG-N 3.31Å; D101-K160 PolarHBondContact OD1-N 2.97Å; D101-K160 PolarHBondContact OD2-N 3.43Å; D101-S161 WeakPolarHBondContact OD1-CA 3.3Å; D101-S161 WeakPolarHBondContact OD1-CB 3.45Å; D101-S161 PolarHBondContact OD1-N 2.83Å; D101-S161 PolarHBondContact OD1-OG 3.44Å
102N95.3Very high96.9Very high42 Ų4244.5 Ų44.523%0.22523%0.233CC..  trans-159.6135.8179.9-159.1-34.2000110.9D104 A108 S161 Q163 I165N102-D104 VanDerWaalsContact C-N 3.29Å; N102-D104 PolarHBondContact OD1-N 2.95Å; N102-D104 PolarHBondContact OD1-O 3.02Å; N102-A108 HydrophobicContact CB-CB 4Å; N102-S161 WeakPolarHBondContact CA-OG 3.35Å; N102-S161 PolarHBondContact N-OG 2.72Å; N102-S161 VanDerWaalsContact N-OG 3.14Å; N102-Q163 PolarHBondContact N-O 2.95Å; N102-Q163 PolarHBondContact O-NE2 3.4Å; N102-I165 HydrophobicContact CB-CD1 4.04Å; N102-I165 WeakPolarHBondContact O-CD1 3.4Å
103S93.2Very high97Very high82 Ų8234 Ų3457%0.57319%0.193SC*.SBendtrans-77.6-12.6175.458.40000113.7Q163S103-Q163 PolarHBondContact O-NE2 3.44Å
104D94.2Very high97.1Very high61 Ų6135.6 Ų35.633%0.32620%0.196SC..  trans-118.9116.5178.6-176.9-23.7000110.3N102 I106 N107 A108N102-D104 VanDerWaalsContact C-N 3.29Å; N102-D104 PolarHBondContact OD1-N 2.95Å; N102-D104 PolarHBondContact OD1-O 3.02Å; D104-I106 VanDerWaalsContact C-N 3.32Å; D104-I106 PolarHBondContact O-N 2.92Å; D104-I106 WeakPolarHBondContact OD1-CB 3.28Å; D104-I106 PolarHBondContact OD1-N 3.41Å; D104-N107 HydrophobicContact CB-CB 4.02Å; D104-N107 WeakPolarHBondContact CB-ND2 3.25Å; D104-N107 VanDerWaalsContact CG-ND2 3.33Å; D104-N107 PolarHBondContact O-N 3.48Å; D104-N107 PolarHBondContact OD1-N 2.68Å; D104-N107 PolarHBondContact OD2-ND2 2.75Å; D104-A108 PolarHBondContact O-N 2.7Å
105V95.1Very high97.1Very high14 Ų1430.7 Ų30.79%0.08517%0.174CC..Hα-helixtrans-65-33-178.2-58.90000113.1E26 T29 L30 V109 V150 I165E26-V105 HydrophobicContact CB-CG1 4.15Å; E26-V105 HydrophobicContact CG-CG1 4.14Å; T29-V105 HydrophobicContact CG2-CG2 4.11Å; L30-V105 HydrophobicContact CD2-CB 4.06Å; L30-V105 HydrophobicContact CG-CB 4.25Å; V105-V109 WeakPolarHBondContact O-CG1 3.45Å; V105-V109 PolarHBondContact O-N 3.08Å; V105-V150 HydrophobicContact CG1-CG2 3.86Å; V105-I165 HydrophobicContact CB-CD1 4.44Å; V105-I165 HydrophobicContact CG1-CD1 4.11Å; V105-I165 HydrophobicContact CG1-CG1 4.13Å
106I96.4Very high97.1Very high72 Ų7232.5 Ų32.537%0.36918%0.181SC..Hα-helixtrans-71.2-46.4179-62.9176.9000109.1T29 D104 A108 V109 E110T29-I106 HydrophobicContact CG2-CD1 4.48Å; T29-I106 HydrophobicContact CG2-CG1 4.02Å; D104-I106 VanDerWaalsContact C-N 3.32Å; D104-I106 PolarHBondContact O-N 2.92Å; D104-I106 WeakPolarHBondContact OD1-CB 3.28Å; D104-I106 PolarHBondContact OD1-N 3.41Å; I106-A108 VanDerWaalsContact C-N 3.28Å; I106-A108 PolarHBondContact O-N 3Å; I106-V109 WeakPolarHBondContact O-CG1 3.32Å; I106-V109 PolarHBondContact O-N 3.46Å; I106-E110 WeakPolarHBondContact O-CB 3.38Å; I106-E110 PolarHBondContact O-N 3.45Å
107N96.9Very high97.1Very high80 Ų8038.1 Ų38.143%0.42821%0.206SC..Hα-helixtrans-62.7-35.9177.9-70-26000112D104 S111D104-N107 HydrophobicContact CB-CB 4.02Å; D104-N107 WeakPolarHBondContact CB-ND2 3.25Å; D104-N107 VanDerWaalsContact CG-ND2 3.33Å; D104-N107 PolarHBondContact O-N 3.48Å; D104-N107 PolarHBondContact OD1-N 2.68Å; D104-N107 PolarHBondContact OD2-ND2 2.75Å; N107-S111 VanDerWaalsContact O-CB 3.27Å; N107-S111 WeakPolarHBondContact O-CB 3.33Å; N107-S111 PolarHBondContact O-N 3.13Å
108A96.8Very high97Very high2 Ų240.7 Ų40.72%0.01722%0.22CC..Hα-helixtrans-64.2-53.417700000112.4A100 N102 D104 I106 E110 S111 W112 I165A100-A108 HydrophobicContact CB-CB 3.87Å; N102-A108 HydrophobicContact CB-CB 4Å; D104-A108 PolarHBondContact O-N 2.7Å; I106-A108 VanDerWaalsContact C-N 3.28Å; I106-A108 PolarHBondContact O-N 3Å; A108-E110 VanDerWaalsContact C-N 3.3Å; A108-E110 PolarHBondContact O-N 3.28Å; A108-S111 WeakPolarHBondContact O-CB 3.34Å; A108-S111 PolarHBondContact O-N 3.19Å; A108-W112 PolarHBondContact O-N 3.13Å; A108-I165 HydrophobicContact CB-CD1 3.35Å
109V97.2Very high97Very high1 Ų141 Ų411%0.00622%0.221CC..Hα-helixtrans-68.1-32.7-179.169.30000111.9L30 K33 H34 Y37 V105 I106 W112 F113 I138L30-V109 HydrophobicContact CD2-CB 4.08Å; L30-V109 HydrophobicContact CD2-CG1 4.45Å; K33-V109 HydrophobicContact CB-CG1 3.64Å; K33-V109 HydrophobicContact CB-CG2 4.13Å; K33-V109 HydrophobicContact CG-CG1 3.87Å; H34-V109 VanDerWaalsContact CE1-CG2 3.45Å; H34-V109 WeakPolarHBondContact CE1-CG2 3.25Å; Y37-V109 HydrophobicContact CD2-CG2 4.29Å; Y37-V109 HydrophobicContact CE2-CG1 4.27Å; Y37-V109 HydrophobicContact CE2-CG2 4Å; V105-V109 WeakPolarHBondContact O-CG1 3.45Å; V105-V109 PolarHBondContact O-N 3.08Å; I106-V109 WeakPolarHBondContact O-CG1 3.32Å; I106-V109 PolarHBondContact O-N 3.46Å; V109-W112 HydrophobicContact CB-CE3 4.26Å; V109-W112 HydrophobicContact CG2-CE3 4.18Å; V109-W112 PolarHBondContact O-N 3.18Å; V109-F113 WeakPolarHBondContact O-CB 3.33Å; V109-F113 PolarHBondContact O-N 2.97Å; V109-I138 HydrophobicContact CG2-CD1 4.32Å
110E98.1Very high96.9Very high77 Ų7743.7 Ų43.736%0.3624%0.235SC..Hα-helixtrans-65.7-43.3172.2-179.6168.7-178.500111.8Y37 I106 A108 W112 F113 N114Y37-E110 VanDerWaalsContact OH-CA 3.3Å; Y37-E110 WeakPolarHBondContact OH-CA 3.36Å; Y37-E110 WeakPolarHBondContact OH-CB 3.5Å; I106-E110 WeakPolarHBondContact O-CB 3.38Å; I106-E110 PolarHBondContact O-N 3.45Å; A108-E110 VanDerWaalsContact C-N 3.3Å; A108-E110 PolarHBondContact O-N 3.28Å; E110-W112 VanDerWaalsContact C-N 3.33Å; E110-W112 PolarHBondContact O-N 3.44Å; E110-F113 PolarHBondContact O-N 3.41Å; E110-N114 WeakPolarHBondContact CG-ND2 3.01Å; E110-N114 VanDerWaalsContact O-CB 3.29Å; E110-N114 WeakPolarHBondContact O-CB 3.42Å; E110-N114 VanDerWaalsContact O-CG 3.26Å; E110-N114 PolarHBondContact O-N 3.19Å; E110-N114 PolarHBondContact O-ND2 3.23Å
111S97.8Very high96.9Very high73 Ų7344 Ų4451%0.5124%0.236SC..Hα-helixtrans-58.6-45.4174.6-174.90000111.4N107 A108 N114N107-S111 VanDerWaalsContact O-CB 3.27Å; N107-S111 WeakPolarHBondContact O-CB 3.33Å; N107-S111 PolarHBondContact O-N 3.13Å; A108-S111 WeakPolarHBondContact O-CB 3.34Å; A108-S111 PolarHBondContact O-N 3.19Å; S111-N114 PolarHBondContact O-N 3.04Å
112W98.4Very high96.8Very high7 Ų748.1 Ų48.13%0.02726%0.262CS..Hα-helixtrans-61.7-45176.2-65.6-25.2000112.1N98 T99 A100 A108 V109 E110 E115 H134 Y135 I138 I165 C167N98-W112 HydrophobicContact CB-CD2 4.17Å; N98-W112 HydrophobicContact CB-CE3 4.08Å; N98-W112 HydrophobicContact CB-CH2 3.8Å; N98-W112 HydrophobicContact CB-CZ2 3.89Å; N98-W112 HydrophobicContact CB-CZ3 3.9Å; T99-W112 VanDerWaalsContact C-CZ2 3.44Å; T99-W112 PolarHBondContact O-NE1 2.92Å; A100-W112 HydrophobicContact CB-CZ2 3.55Å; A108-W112 PolarHBondContact O-N 3.13Å; V109-W112 HydrophobicContact CB-CE3 4.26Å; V109-W112 HydrophobicContact CG2-CE3 4.18Å; V109-W112 PolarHBondContact O-N 3.18Å; E110-W112 VanDerWaalsContact C-N 3.33Å; E110-W112 PolarHBondContact O-N 3.44Å; W112-E115 WeakPolarHBondContact O-CB 3.2Å; W112-E115 WeakPolarHBondContact O-CG 3.11Å; W112-E115 PolarHBondContact O-N 3.35Å; W112-H134 HydrophobicContact CB-CB 3.59Å; W112-H134 VanDerWaalsContact CD1-CB 3.47Å; W112-H134 AromaticContact CD1-CD2 3.69Å; W112-H134 AromaticContact CD1-CG 3.43Å; W112-H134 VanDerWaalsContact CD1-CG 3.43Å; W112-H134 AromaticContact CD1-ND1 3.91Å; W112-H134 HydrophobicContact CD2-CB 4.4Å; W112-H134 HydrophobicContact CG-CB 3.56Å; W112-H134 AromaticContact NE1-CD2 3.62Å; W112-H134 AromaticContact NE1-CG 3.87Å; W112-Y135 WeakPolarHBondContact O-CA 3.49Å; W112-Y135 WeakPolarHBondContact O-CB 3.12Å; W112-Y135 PolarHBondContact O-N 3.23Å; W112-I138 HydrophobicContact CB-CD1 3.61Å; W112-I138 HydrophobicContact CE3-CD1 4.4Å; W112-I165 HydrophobicContact CH2-CG2 3.89Å; W112-C167 HydrophobicContact CH2-CB 4.46Å; W112-C167 HydrophobicContact CZ3-CB 4.28Å
113F98.5Very high96.8Very high6 Ų651 Ų513%0.02628%0.277CS..Hα-helixtrans-66-40.9-179.7-177.9-106.9000111.8Y37 L40 V46 V109 E110 E115 Y116 Y135 I138 V139Y37-F113 VanDerWaalsContact CB-CD2 3.47Å; Y37-F113 VanDerWaalsContact CB-CE2 3.45Å; Y37-F113 HydrophobicContact CD1-CB 4.07Å; Y37-F113 AromaticContact CD1-CD1 3.2Å; Y37-F113 HydrophobicContact CD1-CD1 3.2Å; Y37-F113 AromaticContact CD1-CD2 3.73Å; Y37-F113 HydrophobicContact CD1-CD2 3.73Å; Y37-F113 AromaticContact CD1-CE1 3.35Å; Y37-F113 HydrophobicContact CD1-CE1 3.35Å; Y37-F113 AromaticContact CD1-CE2 3.87Å; Y37-F113 HydrophobicContact CD1-CE2 3.87Å; Y37-F113 AromaticContact CD1-CG 3.36Å; Y37-F113 HydrophobicContact CD1-CG 3.36Å; Y37-F113 AromaticContact CD1-CZ 3.65Å; Y37-F113 HydrophobicContact CD1-CZ 3.65Å; Y37-F113 HydrophobicContact CD2-CB 3.7Å; Y37-F113 HydrophobicContact CD2-CD1 4.41Å; Y37-F113 HydrophobicContact CD2-CD2 4Å; Y37-F113 AromaticContact CD2-CG 3.78Å; Y37-F113 HydrophobicContact CD2-CG 3.78Å; Y37-F113 HydrophobicContact CE1-CB 4.04Å; Y37-F113 AromaticContact CE1-CD1 3.32Å; Y37-F113 HydrophobicContact CE1-CD1 3.32Å; Y37-F113 HydrophobicContact CE1-CD2 4.49Å; Y37-F113 AromaticContact CE1-CE1 3.78Å; Y37-F113 HydrophobicContact CE1-CE1 3.78Å; Y37-F113 AromaticContact CE1-CG 3.69Å; Y37-F113 HydrophobicContact CE1-CG 3.69Å; Y37-F113 HydrophobicContact CE2-CB 3.68Å; Y37-F113 HydrophobicContact CE2-CD1 4.5Å; Y37-F113 HydrophobicContact CE2-CG 4.08Å; Y37-F113 HydrophobicContact CG-CB 3.93Å; Y37-F113 AromaticContact CG-CD1 3.83Å; Y37-F113 HydrophobicContact CG-CD1 3.83Å; Y37-F113 AromaticContact CG-CD2 3.46Å; Y37-F113 HydrophobicContact CG-CD2 3.46Å; Y37-F113 VanDerWaalsContact CG-CD2 3.46Å; Y37-F113 HydrophobicContact CG-CE1 4.12Å; Y37-F113 AromaticContact CG-CE2 3.8Å; Y37-F113 HydrophobicContact CG-CE2 3.8Å; Y37-F113 AromaticContact CG-CG 3.44Å; Y37-F113 HydrophobicContact CG-CG 3.44Å; Y37-F113 VanDerWaalsContact CG-CG 3.44Å; Y37-F113 HydrophobicContact CG-CZ 4.08Å; L40-F113 HydrophobicContact CD1-CE1 4.37Å; V46-F113 HydrophobicContact CG1-CZ 4.36Å; V46-F113 HydrophobicContact CG2-CE1 4.3Å; V46-F113 HydrophobicContact CG2-CZ 3.64Å; V109-F113 WeakPolarHBondContact O-CB 3.33Å; V109-F113 PolarHBondContact O-N 2.97Å; E110-F113 PolarHBondContact O-N 3.41Å; F113-E115 PolarHBondContact O-N 3.42Å; F113-E115 VanDerWaalsContact O-N 3.08Å; F113-Y116 HydrophobicContact CD1-CD1 4.32Å; F113-Y116 HydrophobicContact CE1-CD1 4.23Å; F113-Y116 HydrophobicContact CE1-CE1 4.46Å; F113-Y116 VanDerWaalsContact O-CD1 3.3Å; F113-Y116 WeakPolarHBondContact O-CD1 3.41Å; F113-Y116 PolarHBondContact O-N 2.05Å; F113-Y116 VanDerWaalsContact O-N 3.07Å; F113-Y135 AromaticContact CD2-CD2 3.99Å; F113-Y135 HydrophobicContact CD2-CD2 3.99Å; F113-Y135 HydrophobicContact CD2-CE2 4.13Å; F113-Y135 HydrophobicContact CE2-CD2 4.28Å; F113-Y135 AromaticContact CE2-CE2 3.94Å; F113-Y135 HydrophobicContact CE2-CE2 3.94Å; F113-Y135 VanDerWaalsContact O-CD2 3.31Å; F113-Y135 WeakPolarHBondContact O-CD2 3.37Å; F113-I138 HydrophobicContact CB-CD1 4.16Å; F113-I138 HydrophobicContact CD2-CG2 4.27Å; F113-V139 HydrophobicContact CE2-CG1 4.25Å
114N98.2Very high96.9Very high56 Ų5648.6 Ų48.630%0.29926%0.258SS..Hα-helixtrans-64.1-12.6-178.3-78.7-22.4000114E110 S111 Y116 Q117E110-N114 WeakPolarHBondContact CG-ND2 3.01Å; E110-N114 VanDerWaalsContact O-CB 3.29Å; E110-N114 WeakPolarHBondContact O-CB 3.42Å; E110-N114 VanDerWaalsContact O-CG 3.26Å; E110-N114 PolarHBondContact O-N 3.19Å; E110-N114 PolarHBondContact O-ND2 3.23Å; S111-N114 PolarHBondContact O-N 3.04Å; N114-Y116 PolarHBondContact O-N 2.85Å; N114-Y116 VanDerWaalsContact O-N 3.09Å; N114-Q117 WeakPolarHBondContact O-CB 3.29Å; N114-Q117 WeakPolarHBondContact O-CG 3.4Å; N114-Q117 PolarHBondContact O-N 3.14Å; N114-Q117 VanDerWaalsContact O-N 3.15Å; N114-Q117 PolarHBondContact O-NE2 3.47Å
115E98.4Very high97Very high23 Ų2352.4 Ų52.411%0.10727%0.272CS..G310 helixtrans-63-8.8169.5-52.8174.5171.400113.3W112 F113 Q117 L118 Y119 D131 C132 H134 Y135W112-E115 WeakPolarHBondContact O-CB 3.2Å; W112-E115 WeakPolarHBondContact O-CG 3.11Å; W112-E115 PolarHBondContact O-N 3.35Å; F113-E115 PolarHBondContact O-N 3.42Å; F113-E115 VanDerWaalsContact O-N 3.08Å; E115-Q117 PolarHBondContact O-N 3.22Å; E115-Q117 VanDerWaalsContact O-N 3.13Å; E115-L118 WeakPolarHBondContact O-CA 3.22Å; E115-L118 WeakPolarHBondContact O-CB 3.38Å; E115-L118 PolarHBondContact O-N 2.92Å; E115-Y119 PolarHBondContact O-N 3.08Å; E115-D131 WeakPolarHBondContact CB-O 3.41Å; E115-D131 VanDerWaalsContact CG-O 3.29Å; E115-D131 WeakPolarHBondContact CG-O 3.49Å; E115-C132 HydrophobicContact CB-CB 4.37Å; E115-C132 VanDerWaalsContact OE2-C 3.28Å; E115-C132 WeakPolarHBondContact OE2-CA 3.32Å; E115-H134 IonicContact OE1-CE1 2.69Å; E115-H134 IonicContact OE1-CG 2.91Å; E115-H134 IonicContact OE1-ND1 2.75Å; E115-H134 PolarHBondContact OE1-ND1 3.26Å; E115-H134 WeakPolarHBondContact OE2-CA 3.33Å; E115-H134 VanDerWaalsContact OE2-CB 3.22Å; E115-H134 WeakPolarHBondContact OE2-CB 3.15Å; E115-H134 IonicContact OE2-CG 3.97Å; E115-H134 PolarHBondContact OE2-N 3.01Å; E115-H134 IonicContact OE2-ND1 3.18Å; E115-H134 PolarHBondContact OE2-ND1 2.91Å; E115-Y135 PolarHBondContact OE2-N 2.67Å; E115-Y135 VanDerWaalsContact OE2-N 3.09Å
116Y97.8Very high97.1Very high39 Ų3953.1 Ų53.115%0.15328%0.277CS..G310 helixtrans-53.2-30.216883.8-98.1000112.3V46 P47 Q49 F113 N114 L118 Y119V46-Y116 HydrophobicContact CG1-CD1 3.97Å; V46-Y116 HydrophobicContact CG1-CD2 3.46Å; V46-Y116 VanDerWaalsContact CG1-CD2 3.46Å; V46-Y116 HydrophobicContact CG1-CE1 4.24Å; V46-Y116 HydrophobicContact CG1-CE2 3.74Å; V46-Y116 HydrophobicContact CG1-CG 3.61Å; P47-Y116 HydrophobicContact CB-CE2 4.47Å; P47-Y116 HydrophobicContact CG-CE2 4.5Å; Q49-Y116 HydrophobicContact CG-CD2 3.99Å; Q49-Y116 HydrophobicContact CG-CG 4.44Å; Q49-Y116 PolarHBondContact NE2-O 2.91Å; Q49-Y116 VanDerWaalsContact NE2-O 3.15Å; F113-Y116 HydrophobicContact CD1-CD1 4.32Å; F113-Y116 HydrophobicContact CE1-CD1 4.23Å; F113-Y116 HydrophobicContact CE1-CE1 4.46Å; F113-Y116 VanDerWaalsContact O-CD1 3.3Å; F113-Y116 WeakPolarHBondContact O-CD1 3.41Å; F113-Y116 PolarHBondContact O-N 2.05Å; F113-Y116 VanDerWaalsContact O-N 3.07Å; N114-Y116 PolarHBondContact O-N 2.85Å; N114-Y116 VanDerWaalsContact O-N 3.09Å; Y116-L118 PolarHBondContact O-N 3.41Å; Y116-Y119 PolarHBondContact O-N 3.33Å
117Q97.4Very high97Very high118 Ų11856.8 Ų56.855%0.55129%0.293SS*.G310 helixtrans-67.5-24177.7-65.1172.56600112N114 E115N114-Q117 WeakPolarHBondContact O-CB 3.29Å; N114-Q117 WeakPolarHBondContact O-CG 3.4Å; N114-Q117 PolarHBondContact O-N 3.14Å; N114-Q117 VanDerWaalsContact O-N 3.15Å; N114-Q117 PolarHBondContact O-NE2 3.47Å; E115-Q117 PolarHBondContact O-N 3.22Å; E115-Q117 VanDerWaalsContact O-N 3.13Å
118L96.9Very high96.8Very high55 Ų5556.5 Ų56.529%0.28829%0.294SS..G310 helixtrans-974.9179.5-51.4178.2000111.8E115 Y116 C126 E127 D131E115-L118 WeakPolarHBondContact O-CA 3.22Å; E115-L118 WeakPolarHBondContact O-CB 3.38Å; E115-L118 PolarHBondContact O-N 2.92Å; Y116-L118 PolarHBondContact O-N 3.41Å; L118-C126 CarbonylContact O-C 3.37Å; L118-C126 WeakPolarHBondContact O-CA 3.39Å; L118-E127 HydrophobicContact CB-CG 4.46Å; L118-E127 WeakPolarHBondContact CD2-OE2 3.48Å; L118-E127 PolarHBondContact O-N 3.08Å; L118-D131 HydrophobicContact CD1-CB 4.05Å
119Y97.9Very high96.4Very high8 Ų861.8 Ų61.83%0.03133%0.328CS..EExtended strand (participates in β ladder)trans-117116.3-175.2-179-119.5000112.7Q49 E115 Y116 F121 N124 K125 C132 Y135 K136 P180Q49-Y119 PolarHBondContact NE2-O 3.45Å; E115-Y119 PolarHBondContact O-N 3.08Å; Y116-Y119 PolarHBondContact O-N 3.33Å; Y119-F121 HydrophobicContact CD1-CB 4.35Å; Y119-F121 HydrophobicContact CE1-CB 3.89Å; Y119-F121 AromaticContact CE1-CD2 3.83Å; Y119-F121 HydrophobicContact CE1-CD2 3.83Å; Y119-F121 HydrophobicContact CE1-CG 4.26Å; Y119-F121 PolarHBondContact O-N 3.1Å; Y119-N124 PolarHBondContact OH-OD1 3.28Å; Y119-K125 WeakPolarHBondContact CD2-O 3.45Å; Y119-C132 HydrophobicContact CD2-CB 4.47Å; Y119-C132 WeakPolarHBondContact CD2-SG 3.47Å; Y119-C132 HydrophobicContact CG-CB 4.49Å; Y119-Y135 HydrophobicContact CD1-CD1 4.1Å; Y119-Y135 AromaticContact CD1-CE1 3.63Å; Y119-Y135 HydrophobicContact CD1-CE1 3.63Å; Y119-Y135 HydrophobicContact CE1-CE1 4.3Å; Y119-Y135 HydrophobicContact CG-CD1 4.37Å; Y119-Y135 HydrophobicContact CG-CE1 4.33Å; Y119-K136 HydrophobicContact CD2-CD 4.15Å; Y119-K136 HydrophobicContact CD2-CG 4.5Å; Y119-K136 HydrophobicContact CE2-CD 3.8Å; Y119-K136 HydrophobicContact CE2-CG 4.37Å; Y119-P180 HydrophobicContact CE1-CG 4.09Å; Y119-P180 WeakPolarHBondContact OH-CD 3.46Å
120D96.6Very high95.9Very high67 Ų6766.8 Ų66.836%0.35835%0.351SS..EExtended strand (participates in β ladder)trans-83.2102.8166.5-179.6-20000109.3T122 N123 N124 K125D120-T122 WeakPolarHBondContact OD1-CB 3.5Å; D120-T122 PolarHBondContact OD1-N 3.4Å; D120-N123 PolarHBondContact OD1-N 2.93Å; D120-N123 WeakPolarHBondContact OD2-CB 3.17Å; D120-N123 PolarHBondContact OD2-ND2 3.23Å; D120-N124 VanDerWaalsContact O-CA 3.26Å; D120-N124 WeakPolarHBondContact O-CA 3.4Å; D120-N124 PolarHBondContact O-N 2.88Å; D120-K125 PolarHBondContact N-O 2.83Å; D120-K125 PolarHBondContact O-N 3.43Å; D120-K125 VanDerWaalsContact O-N 3.08Å
121F96.7Very high95.6Very high10 Ų1066.6 Ų66.64%0.04435%0.353CS..THydrogen-bonded Turntrans-61.8-43.8178.3-176.8-82.7000112P50 Y119 N123 N124 Q179 Y181 E183P50-F121 HydrophobicContact CG-CB 4.31Å; P50-F121 HydrophobicContact CG-CD1 3.3Å; P50-F121 HydrophobicContact CG-CD2 3.86Å; P50-F121 HydrophobicContact CG-CE1 3.42Å; P50-F121 VanDerWaalsContact CG-CE1 3.42Å; P50-F121 HydrophobicContact CG-CE2 4.01Å; P50-F121 HydrophobicContact CG-CG 3.54Å; P50-F121 HydrophobicContact CG-CZ 3.79Å; Y119-F121 HydrophobicContact CD1-CB 4.35Å; Y119-F121 HydrophobicContact CE1-CB 3.89Å; Y119-F121 AromaticContact CE1-CD2 3.83Å; Y119-F121 HydrophobicContact CE1-CD2 3.83Å; Y119-F121 HydrophobicContact CE1-CG 4.26Å; Y119-F121 PolarHBondContact O-N 3.1Å; F121-N123 PolarHBondContact O-N 2.94Å; F121-N124 PolarHBondContact O-N 2.84Å; F121-Q179 HydrophobicContact CE2-CB 4.42Å; F121-Q179 HydrophobicContact CZ-CB 4.44Å; F121-Q179 PolarHBondContact O-NE2 3.1Å; F121-Y181 HydrophobicContact CD2-CD2 4.48Å; F121-Y181 HydrophobicContact CD2-CE1 4.26Å; F121-Y181 AromaticContact CD2-CE2 3.83Å; F121-Y181 HydrophobicContact CD2-CE2 3.83Å; F121-Y181 AromaticContact CD2-CZ 3.68Å; F121-Y181 HydrophobicContact CE2-CD1 4.27Å; F121-Y181 AromaticContact CE2-CD2 3.45Å; F121-Y181 HydrophobicContact CE2-CD2 3.45Å; F121-Y181 VanDerWaalsContact CE2-CD2 3.45Å; F121-Y181 AromaticContact CE2-CE1 3.99Å; F121-Y181 HydrophobicContact CE2-CE1 3.99Å; F121-Y181 AromaticContact CE2-CE2 3.15Å; F121-Y181 HydrophobicContact CE2-CE2 3.15Å; F121-Y181 HydrophobicContact CE2-CG 4.03Å; F121-Y181 AromaticContact CE2-CZ 3.44Å; F121-Y181 VanDerWaalsContact CE2-CZ 3.44Å; F121-Y181 AromaticContact CZ-CD2 3.82Å; F121-Y181 HydrophobicContact CZ-CD2 3.82Å; F121-Y181 AromaticContact CZ-CE2 3.69Å; F121-Y181 HydrophobicContact CZ-CE2 3.69Å; F121-Y181 VanDerWaalsContact CZ-O 3.26Å; F121-Y181 WeakPolarHBondContact CZ-O 3.04Å; F121-E183 HydrophobicContact CE1-CB 4.25Å; F121-E183 HydrophobicContact CZ-CB 4.4Å
122T94.2Very high95.6Very high118 Ų11863.1 Ų63.172%0.72433%0.328SS*.THydrogen-bonded Turntrans-61.7-44.2-174.5-59.80000111.7D120D120-T122 WeakPolarHBondContact OD1-CB 3.5Å; D120-T122 PolarHBondContact OD1-N 3.4Å
123N95.6Very high95.5Very high101 Ų10163.3 Ų63.354%0.5433%0.33SS..THydrogen-bonded Turntrans-93.5-4.4180-65.2-62.6000113.5D120 F121 K125D120-N123 PolarHBondContact OD1-N 2.93Å; D120-N123 WeakPolarHBondContact OD2-CB 3.17Å; D120-N123 PolarHBondContact OD2-ND2 3.23Å; F121-N123 PolarHBondContact O-N 2.94Å; N123-K125 HydrophobicContact CB-CD 4.33Å; N123-K125 HydrophobicContact CB-CG 4.38Å
124N96.5Very high95.5Very high33 Ų3365 Ų6518%0.17634%0.337CS..THydrogen-bonded Turntrans52.254-173.6-17630.3000112.3Y119 D120 F121 K136 T177 S178 Q179Y119-N124 PolarHBondContact OH-OD1 3.28Å; D120-N124 VanDerWaalsContact O-CA 3.26Å; D120-N124 WeakPolarHBondContact O-CA 3.4Å; D120-N124 PolarHBondContact O-N 2.88Å; F121-N124 PolarHBondContact O-N 2.84Å; N124-K136 PolarHBondContact OD1-NZ 3.26Å; N124-T177 PolarHBondContact ND2-O 2.98Å; N124-S178 WeakPolarHBondContact ND2-CA 3.44Å; N124-S178 PolarHBondContact ND2-N 2.8Å; N124-S178 PolarHBondContact OD1-O 3.09Å; N124-Q179 HydrophobicContact CB-CG 3.88Å; N124-Q179 PolarHBondContact ND2-N 2.96Å
125K96.4Very high95.5Very high141 Ų14162.3 Ų62.361%0.61332%0.323SS*.EExtended strand (participates in β ladder)trans-131.4137-177.7-72.2-178.6-178.4179.10111.5Y119 D120 N123Y119-K125 WeakPolarHBondContact CD2-O 3.45Å; D120-K125 PolarHBondContact N-O 2.83Å; D120-K125 PolarHBondContact O-N 3.43Å; D120-K125 VanDerWaalsContact O-N 3.08Å; N123-K125 HydrophobicContact CB-CD 4.33Å; N123-K125 HydrophobicContact CB-CG 4.38Å
126C96.4Very high95.5Very high29 Ų2961.3 Ų61.320%0.19632%0.319CS..EExtended strand (participates in β ladder)trans-79.9149.6160.6-49.60000109.2L118 V128 C132L118-C126 CarbonylContact O-C 3.37Å; L118-C126 WeakPolarHBondContact O-CA 3.39Å; C126-V128 VanDerWaalsContact C-N 3.29Å; C126-V128 WeakPolarHBondContact CB-O 3.07Å; C126-V128 PolarHBondContact O-N 2.83Å; C126-C132 VanDerWaalsContact CA-SG 3.55Å; C126-C132 HydrophobicContact CB-CB 3.82Å; C126-C132 WeakPolarHBondContact CB-SG 3.27Å; C126-C132 WeakPolarHBondContact SG-CB 3.45Å; C126-C132 PolarHBondContact SG-N 3.13Å; C126-C132 VanDerWaalsContact SG-N 3.38Å; C126-C132 CovalentContact SG-SG 2.03Å; C126-C132 PolarHBondContact SG-SG 2.86Å
127E94Very high95.5Very high149 Ų14960.2 Ų60.270%0.69631%0.314SS*.SBendtrans-55.7-45173.6-71.8-170.5168.800111.9L118L118-E127 HydrophobicContact CB-CG 4.46Å; L118-E127 WeakPolarHBondContact CD2-OE2 3.48Å; L118-E127 PolarHBondContact O-N 3.08Å
128V93.1Very high95.6Very high74 Ų7454.6 Ų54.645%0.44829%0.288SS..SBendtrans-116.5138.9170175.20000107.6C126 E130 D131C126-V128 VanDerWaalsContact C-N 3.29Å; C126-V128 WeakPolarHBondContact CB-O 3.07Å; C126-V128 PolarHBondContact O-N 2.83Å; V128-E130 PolarHBondContact O-N 3.23Å; V128-D131 HydrophobicContact CB-CB 4.22Å; V128-D131 WeakPolarHBondContact CB-OD2 3.35Å; V128-D131 PolarHBondContact O-N 3.43Å
129P88.4Confident95.6Very high112 Ų11252 Ų5273%0.72727%0.274SS*.THydrogen-bonded Turntrans-50.4128.6177.6-27.135000111.6D131P129-D131 VanDerWaalsContact C-N 3.34Å; P129-D131 PolarHBondContact O-N 3.36Å
130E87.6Confident95.6Very high107 Ų10752.2 Ų52.250%0.528%0.275SS..THydrogen-bonded Turntrans80-13.4175.9-46.2-164.6174.100117.8V128 C132 L133 K176V128-E130 PolarHBondContact O-N 3.23Å; E130-C132 PolarHBondContact O-N 2.9Å; E130-L133 HydrophobicContact CB-CD1 3.69Å; E130-L133 HydrophobicContact CB-CG 4.25Å; E130-L133 HydrophobicContact CG-CD1 3.85Å; E130-L133 WeakPolarHBondContact O-CG 3.45Å; E130-L133 PolarHBondContact O-N 3.09Å; E130-K176 WeakPolarHBondContact OE1-CE 3.38Å; E130-K176 IonicContact OE1-NZ 3.58Å; E130-K176 PolarHBondContact OE1-NZ 3.07Å; E130-K176 IonicContact OE2-NZ 2.78Å
131D90.9Very high95.6Very high72 Ų7249.6 Ų49.639%0.38526%0.261SS..THydrogen-bonded Turntrans-69.8-4.4-175.6-80.45.1000114.9E115 L118 V128 P129E115-D131 WeakPolarHBondContact CB-O 3.41Å; E115-D131 VanDerWaalsContact CG-O 3.29Å; E115-D131 WeakPolarHBondContact CG-O 3.49Å; L118-D131 HydrophobicContact CD1-CB 4.05Å; V128-D131 HydrophobicContact CB-CB 4.22Å; V128-D131 WeakPolarHBondContact CB-OD2 3.35Å; V128-D131 PolarHBondContact O-N 3.43Å; P129-D131 VanDerWaalsContact C-N 3.34Å; P129-D131 PolarHBondContact O-N 3.36Å
132C97.4Very high95.5Very high0 Ų053.1 Ų53.10%028%0.276CS..THydrogen-bonded Turntrans-120.37.1178.479.70000114.8E115 Y119 C126 E130 H134 Y135 K136E115-C132 HydrophobicContact CB-CB 4.37Å; E115-C132 VanDerWaalsContact OE2-C 3.28Å; E115-C132 WeakPolarHBondContact OE2-CA 3.32Å; Y119-C132 HydrophobicContact CD2-CB 4.47Å; Y119-C132 WeakPolarHBondContact CD2-SG 3.47Å; Y119-C132 HydrophobicContact CG-CB 4.49Å; C126-C132 VanDerWaalsContact CA-SG 3.55Å; C126-C132 HydrophobicContact CB-CB 3.82Å; C126-C132 WeakPolarHBondContact CB-SG 3.27Å; C126-C132 WeakPolarHBondContact SG-CB 3.45Å; C126-C132 PolarHBondContact SG-N 3.13Å; C126-C132 VanDerWaalsContact SG-N 3.38Å; C126-C132 CovalentContact SG-SG 2.03Å; C126-C132 PolarHBondContact SG-SG 2.86Å; E130-C132 PolarHBondContact O-N 2.9Å; C132-H134 VanDerWaalsContact C-N 3.33Å; C132-H134 PolarHBondContact O-N 3.08Å; C132-Y135 PolarHBondContact O-N 3.41Å; C132-K136 WeakPolarHBondContact O-CG 3.38Å; C132-K136 PolarHBondContact O-N 3.46Å; C132-K136 VanDerWaalsContact O-N 3.08Å
133L97.6Very high95.7Very high11 Ų1147.6 Ų47.66%0.05824%0.242CC..Hα-helixtrans-72.3-25.7-174.1-60.6-179.7000112.8E130 K136 R137 V175 K176E130-L133 HydrophobicContact CB-CD1 3.69Å; E130-L133 HydrophobicContact CB-CG 4.25Å; E130-L133 HydrophobicContact CG-CD1 3.85Å; E130-L133 WeakPolarHBondContact O-CG 3.45Å; E130-L133 PolarHBondContact O-N 3.09Å; L133-K136 HydrophobicContact CD2-CD 4.3Å; L133-R137 WeakPolarHBondContact O-CG 3.48Å; L133-R137 PolarHBondContact O-N 3.45Å; L133-R137 PolarHBondContact O-NH1 3.32Å; L133-V175 HydrophobicContact CB-CG1 4.38Å; L133-V175 HydrophobicContact CD2-CG1 3.93Å; L133-K176 HydrophobicContact CD1-CD 4.49Å; L133-K176 HydrophobicContact CD1-CG 3.98Å; L133-K176 HydrophobicContact CD2-CG 4.22Å
134H98.2Very high95.7Very high41 Ų4146.1 Ų46.119%0.1923%0.232CC..Hα-helixtrans-69.7-46175.7-50.898.9000110.1N98 W112 E115 C132 K136 R137 I138N98-H134 PolarHBondContact ND2-O 3.46Å; N98-H134 VanDerWaalsContact ND2-O 3.13Å; N98-H134 WeakPolarHBondContact OD1-CA 3.46Å; N98-H134 PolarHBondContact OD1-CD2 3.09Å; N98-H134 VanDerWaalsContact OD1-CD2 3.26Å; W112-H134 HydrophobicContact CB-CB 3.59Å; W112-H134 VanDerWaalsContact CD1-CB 3.47Å; W112-H134 AromaticContact CD1-CD2 3.69Å; W112-H134 AromaticContact CD1-CG 3.43Å; W112-H134 VanDerWaalsContact CD1-CG 3.43Å; W112-H134 AromaticContact CD1-ND1 3.91Å; W112-H134 HydrophobicContact CD2-CB 4.4Å; W112-H134 HydrophobicContact CG-CB 3.56Å; W112-H134 AromaticContact NE1-CD2 3.62Å; W112-H134 AromaticContact NE1-CG 3.87Å; E115-H134 IonicContact OE1-CE1 2.69Å; E115-H134 IonicContact OE1-CG 2.91Å; E115-H134 IonicContact OE1-ND1 2.75Å; E115-H134 PolarHBondContact OE1-ND1 3.26Å; E115-H134 WeakPolarHBondContact OE2-CA 3.33Å; E115-H134 VanDerWaalsContact OE2-CB 3.22Å; E115-H134 WeakPolarHBondContact OE2-CB 3.15Å; E115-H134 IonicContact OE2-CG 3.97Å; E115-H134 PolarHBondContact OE2-N 3.01Å; E115-H134 IonicContact OE2-ND1 3.18Å; E115-H134 PolarHBondContact OE2-ND1 2.91Å; C132-H134 VanDerWaalsContact C-N 3.33Å; C132-H134 PolarHBondContact O-N 3.08Å; H134-K136 VanDerWaalsContact C-N 3.33Å; H134-K136 PolarHBondContact O-N 3.27Å; H134-R137 PolarHBondContact O-N 3.02Å; H134-I138 WeakPolarHBondContact O-CG1 3.16Å; H134-I138 PolarHBondContact O-N 3.36Å; H134-I138 VanDerWaalsContact O-N 3.13Å
135Y98.5Very high95.7Very high0 Ų047.9 Ų47.90%024%0.239CC..Hα-helixtrans-53.1-50.6172.2166.4-106.1000111.4Q49 W112 F113 E115 Y119 C132 R137 I138 V139Q49-Y135 PolarHBondContact OE1-OH 2.93Å; W112-Y135 WeakPolarHBondContact O-CA 3.49Å; W112-Y135 WeakPolarHBondContact O-CB 3.12Å; W112-Y135 PolarHBondContact O-N 3.23Å; F113-Y135 AromaticContact CD2-CD2 3.99Å; F113-Y135 HydrophobicContact CD2-CD2 3.99Å; F113-Y135 HydrophobicContact CD2-CE2 4.13Å; F113-Y135 HydrophobicContact CE2-CD2 4.28Å; F113-Y135 AromaticContact CE2-CE2 3.94Å; F113-Y135 HydrophobicContact CE2-CE2 3.94Å; F113-Y135 VanDerWaalsContact O-CD2 3.31Å; F113-Y135 WeakPolarHBondContact O-CD2 3.37Å; E115-Y135 PolarHBondContact OE2-N 2.67Å; E115-Y135 VanDerWaalsContact OE2-N 3.09Å; Y119-Y135 HydrophobicContact CD1-CD1 4.1Å; Y119-Y135 AromaticContact CD1-CE1 3.63Å; Y119-Y135 HydrophobicContact CD1-CE1 3.63Å; Y119-Y135 HydrophobicContact CE1-CE1 4.3Å; Y119-Y135 HydrophobicContact CG-CD1 4.37Å; Y119-Y135 HydrophobicContact CG-CE1 4.33Å; C132-Y135 PolarHBondContact O-N 3.41Å; Y135-R137 VanDerWaalsContact C-N 3.26Å; Y135-R137 PolarHBondContact O-N 3.43Å; Y135-I138 WeakPolarHBondContact O-CB 3.49Å; Y135-I138 PolarHBondContact O-N 3.17Å; Y135-V139 HydrophobicContact CD1-CG2 4.4Å; Y135-V139 HydrophobicContact CD2-CG1 4.06Å; Y135-V139 HydrophobicContact CD2-CG2 4.46Å; Y135-V139 HydrophobicContact CE1-CG2 3.92Å; Y135-V139 HydrophobicContact CE2-CB 4.44Å; Y135-V139 HydrophobicContact CE2-CG1 3.58Å; Y135-V139 HydrophobicContact CE2-CG2 4.02Å; Y135-V139 WeakPolarHBondContact O-CG2 3.45Å; Y135-V139 PolarHBondContact O-N 2.72Å; Y135-V139 VanDerWaalsContact O-N 3.17Å
136K98.1Very high95.8Very high3 Ų341.2 Ų41.21%0.01321%0.209CC..Hα-helixtrans-58.3-35.1-178.9-71.9-177.769.9171.60113.1Y119 N124 C132 L133 H134 W140 V175 S178 P180Y119-K136 HydrophobicContact CD2-CD 4.15Å; Y119-K136 HydrophobicContact CD2-CG 4.5Å; Y119-K136 HydrophobicContact CE2-CD 3.8Å; Y119-K136 HydrophobicContact CE2-CG 4.37Å; N124-K136 PolarHBondContact OD1-NZ 3.26Å; C132-K136 WeakPolarHBondContact O-CG 3.38Å; C132-K136 PolarHBondContact O-N 3.46Å; C132-K136 VanDerWaalsContact O-N 3.08Å; L133-K136 HydrophobicContact CD2-CD 4.3Å; H134-K136 VanDerWaalsContact C-N 3.33Å; H134-K136 PolarHBondContact O-N 3.27Å; K136-W140 PolarHBondContact O-N 2.84Å; K136-V175 HydrophobicContact CB-CG1 3.5Å; K136-V175 VanDerWaalsContact CB-CG1 3.5Å; K136-V175 HydrophobicContact CD-CG1 4.37Å; K136-V175 WeakPolarHBondContact CE-O 3.49Å; K136-V175 PolarHBondContact NZ-O 3.43Å; K136-S178 WeakPolarHBondContact CE-O 3.39Å; K136-S178 PolarHBondContact NZ-O 2.92Å; K136-P180 HydrophobicContact CB-CB 4.05Å; K136-P180 HydrophobicContact CB-CG 4.49Å; K136-P180 HydrophobicContact CG-CB 4.23Å; K136-P180 HydrophobicContact CG-CG 4.14Å; K136-P180 WeakPolarHBondContact O-CB 3.44Å
137R97.8Very high95.8Very high16 Ų1639.8 Ų39.86%0.0620%0.2CC..Hα-helixtrans-70.4-39.2174.3-68.5-172.3-161.491.9-1.1112.8I97 N98 L133 H134 Y135 V139 W140 Y169 M172 V175I97-R137 VanDerWaalsContact O-CZ 3.32Å; I97-R137 PolarHBondContact O-NE 2.9Å; I97-R137 PolarHBondContact O-NH1 3.43Å; N98-R137 WeakPolarHBondContact OD1-CD 3.29Å; N98-R137 PolarHBondContact OD1-NH1 3.2Å; L133-R137 WeakPolarHBondContact O-CG 3.48Å; L133-R137 PolarHBondContact O-N 3.45Å; L133-R137 PolarHBondContact O-NH1 3.32Å; H134-R137 PolarHBondContact O-N 3.02Å; Y135-R137 VanDerWaalsContact C-N 3.26Å; Y135-R137 PolarHBondContact O-N 3.43Å; R137-V139 VanDerWaalsContact C-N 3.26Å; R137-V139 PolarHBondContact O-N 2.78Å; R137-W140 WeakPolarHBondContact O-CB 3.46Å; R137-W140 PolarHBondContact O-N 2.96Å; R137-Y169 HydrophobicContact CB-CD2 4.15Å; R137-Y169 HydrophobicContact CB-CE2 4.01Å; R137-M172 HydrophobicContact CB-CE 4.09Å; R137-M172 HydrophobicContact CG-CE 4.06Å; R137-M172 HydrophobicContact CG-SD 4.15Å; R137-V175 HydrophobicContact CG-CG1 4.06Å; R137-V175 HydrophobicContact CG-CG2 3.93Å
138I98.1Very high96Very high0 Ų032.7 Ų32.70%017%0.167CC..Hα-helixtrans-58.1-42.1177.2-66.7-179.1000111.1R38 V109 W112 F113 H134 Y135R38-I138 PolarHBondContact NH1-O 3.4Å; V109-I138 HydrophobicContact CG2-CD1 4.32Å; W112-I138 HydrophobicContact CB-CD1 3.61Å; W112-I138 HydrophobicContact CE3-CD1 4.4Å; F113-I138 HydrophobicContact CB-CD1 4.16Å; F113-I138 HydrophobicContact CD2-CG2 4.27Å; H134-I138 WeakPolarHBondContact O-CG1 3.16Å; H134-I138 PolarHBondContact O-N 3.36Å; H134-I138 VanDerWaalsContact O-N 3.13Å; Y135-I138 WeakPolarHBondContact O-CB 3.49Å; Y135-I138 PolarHBondContact O-N 3.17Å
139V97.8Very high96.2Very high0 Ų029.7 Ų29.70%015%0.149CC..THydrogen-bonded Turntrans-101.812.9-171.4-51.80000113L41 F113 Y135 R137 D141 P180 Y181L41-V139 HydrophobicContact CD1-CB 3.68Å; L41-V139 HydrophobicContact CD1-CG1 3.43Å; L41-V139 VanDerWaalsContact CD1-CG1 3.43Å; L41-V139 HydrophobicContact CD1-CG2 4.42Å; F113-V139 HydrophobicContact CE2-CG1 4.25Å; Y135-V139 HydrophobicContact CD1-CG2 4.4Å; Y135-V139 HydrophobicContact CD2-CG1 4.06Å; Y135-V139 HydrophobicContact CD2-CG2 4.46Å; Y135-V139 HydrophobicContact CE1-CG2 3.92Å; Y135-V139 HydrophobicContact CE2-CB 4.44Å; Y135-V139 HydrophobicContact CE2-CG1 3.58Å; Y135-V139 HydrophobicContact CE2-CG2 4.02Å; Y135-V139 WeakPolarHBondContact O-CG2 3.45Å; Y135-V139 PolarHBondContact O-N 2.72Å; Y135-V139 VanDerWaalsContact O-N 3.17Å; R137-V139 VanDerWaalsContact C-N 3.26Å; R137-V139 PolarHBondContact O-N 2.78Å; V139-D141 PolarHBondContact O-N 3.3Å; V139-P180 HydrophobicContact CG2-CB 3.8Å; V139-P180 HydrophobicContact CG2-CG 3.81Å; V139-Y181 HydrophobicContact CB-CD1 4.16Å; V139-Y181 HydrophobicContact CB-CE1 4.17Å; V139-Y181 HydrophobicContact CG2-CD1 3.81Å; V139-Y181 HydrophobicContact CG2-CE1 3.71Å; V139-Y181 WeakPolarHBondContact O-CD1 3.44Å
140W97.8Very high96.6Very high13 Ų1324.8 Ų24.85%0.04912%0.117CC..  trans-62.8117.9-177.9-164.6-101.7000111.3R38 K136 R137 K142 A143 M172 G173 V175 P180R38-W140 PolarHBondContact NH1-O 3.08Å; R38-W140 PolarHBondContact NH2-O 3.4Å; K136-W140 PolarHBondContact O-N 2.84Å; R137-W140 WeakPolarHBondContact O-CB 3.46Å; R137-W140 PolarHBondContact O-N 2.96Å; W140-K142 VanDerWaalsContact C-N 3.33Å; W140-K142 PolarHBondContact O-N 3.08Å; W140-A143 HydrophobicContact CB-CB 4.09Å; W140-A143 PolarHBondContact O-N 3.3Å; W140-M172 HydrophobicContact CB-CE 3.88Å; W140-M172 HydrophobicContact CB-SD 4.09Å; W140-M172 HydrophobicContact CD2-SD 3.6Å; W140-M172 HydrophobicContact CE3-SD 4.1Å; W140-M172 HydrophobicContact CG-CE 3.9Å; W140-M172 HydrophobicContact CG-SD 3.55Å; W140-M172 VanDerWaalsContact CG-SD 3.55Å; W140-G173 VanDerWaalsContact CZ2-CA 3.49Å; W140-V175 HydrophobicContact CE3-CG2 4.39Å; W140-V175 HydrophobicContact CZ3-CB 4.35Å; W140-V175 HydrophobicContact CZ3-CG1 4.45Å; W140-V175 HydrophobicContact CZ3-CG2 4.24Å; W140-P180 CarbonylContact C-O 3.6Å; W140-P180 VanDerWaalsContact CA-O 3.22Å; W140-P180 WeakPolarHBondContact CA-O 3.48Å; W140-P180 HydrophobicContact CE3-CB 3.86Å; W140-P180 HydrophobicContact CZ3-CB 4.32Å
141D96.1Very high96.9Very high12 Ų1220 Ų206%0.06410%0.097CC..THydrogen-bonded Turntrans-66.8-34.2-170.664.4-7.6000113.8Y54 V139 A143 P180 V182Y54-D141 HydrophobicContact CD1-CB 3.69Å; Y54-D141 HydrophobicContact CE1-CB 4.15Å; V139-D141 PolarHBondContact O-N 3.3Å; D141-A143 VanDerWaalsContact C-N 3.3Å; D141-P180 PolarHBondContact N-O 2.76Å; D141-V182 PolarHBondContact OD2-N 3.06Å
142K96Very high97.1Very high84 Ų8422.4 Ų22.437%0.36511%0.106SC..THydrogen-bonded Turntrans-77.3-14.2177.8-60-45-169.9175.90113.6S55 E56 W140 E144 P171S55-K142 PolarHBondContact OG-NZ 3.25Å; E56-K142 HydrophobicContact CG-CD 4.08Å; E56-K142 IonicContact OE1-NZ 3.96Å; E56-K142 PolarHBondContact OE1-NZ 3.38Å; W140-K142 VanDerWaalsContact C-N 3.33Å; W140-K142 PolarHBondContact O-N 3.08Å; K142-E144 PolarHBondContact O-N 3.44Å; K142-P171 HydrophobicContact CB-CG 4.43Å; K142-P171 WeakPolarHBondContact O-CD 3.46Å; K142-P171 WeakPolarHBondContact O-CG 3.47Å
143A96.8Very high96.9Very high1 Ų123 Ų231%0.00811%0.11CC..  trans-71.1119.2178.400000109L59 W140 D141 P171 M172L59-A143 HydrophobicContact CD2-CB 3.95Å; L59-A143 WeakPolarHBondContact CD2-O 3.28Å; W140-A143 HydrophobicContact CB-CB 4.09Å; W140-A143 PolarHBondContact O-N 3.3Å; D141-A143 VanDerWaalsContact C-N 3.3Å; A143-P171 WeakPolarHBondContact CA-O 3.46Å; A143-M172 HydrophobicContact CB-CE 4.44Å
144E95.3Very high96.6Very high70 Ų7027.2 Ų27.233%0.32713%0.132SC..  trans-101.7-32.2178.6-70.1177-93.900111E56 L59 S60 K142 S170E56-E144 HydrophobicContact CB-CG 3.58Å; E56-E144 HydrophobicContact CG-CG 4.16Å; L59-E144 CarbonylContact C-O 3.58Å; L59-E144 WeakPolarHBondContact CA-O 3.39Å; S60-E144 PolarHBondContact N-O 2.93Å; K142-E144 PolarHBondContact O-N 3.44Å; E144-S170 PolarHBondContact N-O 2.78Å
145F97.1Very high95.8Very high71 Ų7131 Ų3131%0.31116%0.158SC..EExtended strand (participates in β ladder)trans-122.2145.1-171.6-56.3-69.8000111.5S60 D62 L65 Y169 S170S60-F145 WeakPolarHBondContact O-CA 3.49Å; D62-F145 HydrophobicContact CB-CB 3.92Å; D62-F145 HydrophobicContact CB-CD1 4.29Å; D62-F145 HydrophobicContact CB-CG 4.4Å; L65-F145 HydrophobicContact CD1-CB 3.86Å; F145-Y169 CarbonylContact O-C 3.56Å; F145-Y169 WeakPolarHBondContact O-CA 3.41Å; F145-S170 PolarHBondContact N-O 3.26Å; F145-S170 PolarHBondContact O-N 3.37Å
146I97.9Very high95Very high0 Ų039.2 Ų39.20%020%0.196CC..EExtended strand (participates in β ladder)trans-141.9139.8173-177.5-179.4000109.7F31 H34 L59 S60 W61 D62 Y168 Y169F31-I146 HydrophobicContact CD2-CG2 3.44Å; F31-I146 VanDerWaalsContact CD2-CG2 3.44Å; F31-I146 HydrophobicContact CE2-CG2 3.74Å; H34-I146 HydrophobicContact CB-CD1 4.1Å; L59-I146 HydrophobicContact CB-CG2 4.24Å; L59-I146 HydrophobicContact CD1-CG2 4.39Å; S60-I146 PolarHBondContact O-N 3.36Å; W61-I146 WeakPolarHBondContact CA-O 3.43Å; D62-I146 PolarHBondContact N-O 2.76Å; I146-Y168 VanDerWaalsContact CA-O 3.25Å; I146-Y168 WeakPolarHBondContact CA-O 3.49Å; I146-Y168 WeakPolarHBondContact CG1-O 3.49Å; I146-Y169 HydrophobicContact CB-CD1 4.22Å; I146-Y169 HydrophobicContact CD1-CD1 3.93Å; I146-Y169 HydrophobicContact CD1-CE1 3.47Å; I146-Y169 VanDerWaalsContact CD1-CE1 3.47Å; I146-Y169 HydrophobicContact CG1-CD1 3.9Å; I146-Y169 HydrophobicContact CG1-CE1 3.9Å
147G97.1Very high94.5Very high0 Ų040.6 Ų40.60%021%0.205CC..EExtended strand (participates in β ladder)trans-137.5134.3168.600000109.4C167 Y168G147-C167 WeakPolarHBondContact O-CA 3.43Å; G147-Y168 PolarHBondContact N-O 3.04Å; G147-Y168 PolarHBondContact O-N 3.39Å
148C98.1Very high94Very high0 Ų045.3 Ų45.30%023%0.228CC..EExtended strand (participates in β ladder)trans-129.8147.4-176.3-600000111.3L30 W61 V166 C167L30-C148 HydrophobicContact CB-CB 4.02Å; L30-C148 HydrophobicContact CD1-CB 3.71Å; W61-C148 HydrophobicContact CH2-CB 3.94Å; W61-C148 WeakPolarHBondContact CH2-O 3.27Å; W61-C148 HydrophobicContact CZ3-CB 4.14Å; C148-V166 CarbonylContact C-O 3.59Å; C148-V166 WeakPolarHBondContact CA-O 3.18Å; C148-C167 HydrophobicContact CB-CB 4.13Å; C148-C167 WeakPolarHBondContact CB-SG 3.49Å; C148-C167 WeakPolarHBondContact SG-CB 3.48Å; C148-C167 CovalentContact SG-SG 2.05Å; C148-C167 PolarHBondContact SG-SG 3.01Å
149S96.9Very high93.7Very high11 Ų1145.4 Ų45.48%0.07723%0.228CC..EExtended strand (participates in β ladder)trans-142.2157174.9-162.40000111.5G70 V166G70-S149 VanDerWaalsContact CA-CB 3.45Å; G70-S149 WeakPolarHBondContact CA-OG 3.29Å; G70-S149 VanDerWaalsContact N-CB 3.33Å; S149-V166 PolarHBondContact N-O 3.32Å; S149-V166 PolarHBondContact O-N 3.15Å
150V96.4Very high93.5Very high8 Ų852.8 Ų52.85%0.04826%0.261CS..EExtended strand (participates in β ladder)trans-121.1134.9178.3-179.50000108.6E26 L30 V105 Q163 I164 I165E26-V150 HydrophobicContact CB-CG2 3.86Å; E26-V150 VanDerWaalsContact OE2-CB 3.29Å; E26-V150 WeakPolarHBondContact OE2-CB 3.35Å; E26-V150 WeakPolarHBondContact OE2-CG1 3.19Å; E26-V150 WeakPolarHBondContact OE2-CG2 3.42Å; L30-V150 HydrophobicContact CD1-CG2 4.22Å; V105-V150 HydrophobicContact CG1-CG2 3.86Å; V150-Q163 VanDerWaalsContact CG1-CD 3.43Å; V150-Q163 HydrophobicContact CG1-CG 3.4Å; V150-I164 CarbonylContact C-O 3.52Å; V150-I164 WeakPolarHBondContact CA-O 3.43Å; V150-I165 HydrophobicContact CG2-CG1 4.2Å
151G94.7Very high93.2Very high8 Ų854.5 Ų54.58%0.08227%0.274CS..EExtended strand (participates in β ladder)trans-122.2143.3179.500000111.5Q163 I164G151-Q163 WeakPolarHBondContact O-CA 3.42Å; G151-I164 PolarHBondContact N-O 3.25Å; G151-I164 PolarHBondContact O-N 3.15Å
152H94.1Very high93.1Very high122 Ų12255.1 Ų55.157%0.56528%0.284SS*.EExtended strand (participates in β ladder)trans-94.2123.6172.8-61.2-60.5000110.3
153C94.7Very high93Very high13 Ų1351.9 Ų51.99%0.08827%0.27CS..  trans-112.1131.8-171.4-62.20000110.7C76 T157 V159 G162 I164C76-C153 HydrophobicContact CB-CB 3.83Å; C76-C153 WeakPolarHBondContact CB-SG 3.41Å; C76-C153 WeakPolarHBondContact SG-CA 3.26Å; C76-C153 WeakPolarHBondContact SG-CB 3.14Å; C76-C153 CovalentContact SG-SG 2.03Å; C76-C153 PolarHBondContact SG-SG 3.21Å; C153-T157 HydrophobicContact CB-CG2 4.39Å; C153-V159 HydrophobicContact CB-CB 3.78Å; C153-V159 HydrophobicContact CB-CG1 3.85Å; C153-V159 HydrophobicContact CB-CG2 4.32Å; C153-G162 PolarHBondContact N-O 2.92Å; C153-G162 WeakPolarHBondContact O-CA 3.42Å; C153-I164 VanDerWaalsContact SG-CG2 3.58Å
154N91Very high93Very high99 Ų9951.9 Ų51.953%0.52927%0.27SS..  trans-71.9166.1172.769.343.7000110.8H156 T157N154-H156 PolarHBondContact O-N 3.47Å; N154-H156 VanDerWaalsContact O-N 3.09Å; N154-H156 WeakPolarHBondContact OD1-CA 3.31Å; N154-H156 WeakPolarHBondContact OD1-CB 3.35Å; N154-H156 PolarHBondContact OD1-N 2.75Å; N154-T157 PolarHBondContact O-N 3.18Å; N154-T157 PolarHBondContact O-OG1 3.18Å
155T81.6Confident93.1Very high120 Ų12048.5 Ų48.574%0.73625%0.254SS*.THydrogen-bonded Turntrans-66.4-10.6-176.352.20000114.4T157T155-T157 VanDerWaalsContact C-N 3.31Å
156H82.4Confident93.2Very high173 Ų17345.1 Ų45.180%0.80124%0.239SC*.THydrogen-bonded Turntrans-87.43.4178.7-56.2-67.4000113.5N154N154-H156 PolarHBondContact O-N 3.47Å; N154-H156 VanDerWaalsContact O-N 3.09Å; N154-H156 WeakPolarHBondContact OD1-CA 3.31Å; N154-H156 WeakPolarHBondContact OD1-CB 3.35Å; N154-H156 PolarHBondContact OD1-N 2.75Å
157T86Confident93.2Very high32 Ų3245.1 Ų45.120%0.19624%0.239CC..SBendtrans-96.5173.3175.869.40000111.8C76 C153 N154 T155 V159 K160C76-T157 HydrophobicContact CB-CG2 3.68Å; C153-T157 HydrophobicContact CB-CG2 4.39Å; N154-T157 PolarHBondContact O-N 3.18Å; N154-T157 PolarHBondContact O-OG1 3.18Å; T155-T157 VanDerWaalsContact C-N 3.31Å; T157-V159 PolarHBondContact O-N 3.37Å; T157-V159 PolarHBondContact OG1-N 3.03Å; T157-V159 PolarHBondContact OG1-O 3.4Å; T157-K160 PolarHBondContact O-NZ 2.78Å
158E88.3Confident93.3Very high115 Ų11545.1 Ų45.154%0.53724%0.239SC..SBendtrans-68.2-22.4171.4-64.6-173.1161.900112.2L78 K160L78-E158 HydrophobicContact CD1-CB 4.37Å; E158-K160 PolarHBondContact O-N 2.93Å
159V92.1Very high93.3Very high2 Ų245.1 Ų45.11%0.01224%0.239CC..  trans-74.4109.9179.8-178.80000109.7C76 L78 D101 C153 T157 Q163 I164C76-V159 HydrophobicContact CB-CG2 4.22Å; L78-V159 HydrophobicContact CD1-CG2 3.98Å; L78-V159 HydrophobicContact CD2-CG2 4.26Å; L78-V159 HydrophobicContact CG-CG2 3.9Å; D101-V159 HydrophobicContact CB-CG1 4.35Å; D101-V159 VanDerWaalsContact OD1-CG1 3.25Å; D101-V159 WeakPolarHBondContact OD1-CG1 3.36Å; C153-V159 HydrophobicContact CB-CB 3.78Å; C153-V159 HydrophobicContact CB-CG1 3.85Å; C153-V159 HydrophobicContact CB-CG2 4.32Å; T157-V159 PolarHBondContact O-N 3.37Å; T157-V159 PolarHBondContact OG1-N 3.03Å; T157-V159 PolarHBondContact OG1-O 3.4Å; V159-Q163 VanDerWaalsContact CG1-C 3.47Å; V159-Q163 VanDerWaalsContact CG1-O 3.22Å; V159-Q163 WeakPolarHBondContact CG1-O 3.47Å; V159-I164 HydrophobicContact CG1-CB 4.38Å; V159-I164 HydrophobicContact CG2-CB 4.08Å; V159-I164 HydrophobicContact CG2-CD1 4.26Å; V159-I164 HydrophobicContact CG2-CG1 4.43Å
160K92.6Very high93.3Very high155 Ų15545 Ų4567%0.67424%0.238SC*.SBendtrans-91.2-25-174.5-57.9-50.2176.6-161.90114D101 T157 E158 G162D101-K160 VanDerWaalsContact CG-N 3.31Å; D101-K160 PolarHBondContact OD1-N 2.97Å; D101-K160 PolarHBondContact OD2-N 3.43Å; T157-K160 PolarHBondContact O-NZ 2.78Å; E158-K160 PolarHBondContact O-N 2.93Å; K160-G162 PolarHBondContact O-N 3.26Å
161S93Very high93.3Very high48 Ų4846.5 Ų46.534%0.33625%0.248SC..SBendtrans-72.8-11.617569.70000113.2D101 N102 Q163D101-S161 WeakPolarHBondContact OD1-CA 3.3Å; D101-S161 WeakPolarHBondContact OD1-CB 3.45Å; D101-S161 PolarHBondContact OD1-N 2.83Å; D101-S161 PolarHBondContact OD1-OG 3.44Å; N102-S161 WeakPolarHBondContact CA-OG 3.35Å; N102-S161 PolarHBondContact N-OG 2.72Å; N102-S161 VanDerWaalsContact N-OG 3.14Å; S161-Q163 PolarHBondContact O-N 3.34Å; S161-Q163 PolarHBondContact OG-N 2.99Å; S161-Q163 PolarHBondContact OG-O 3.39Å
162G93.8Very high93.4Very high26 Ų2646.6 Ų46.627%0.26825%0.247SC..SBendtrans79.22.5-172.400000113.8C153 K160C153-G162 PolarHBondContact N-O 2.92Å; C153-G162 WeakPolarHBondContact O-CA 3.42Å; K160-G162 PolarHBondContact O-N 3.26Å
163Q94.2Very high93.5Very high16 Ų1642.2 Ų42.28%0.07524%0.235CC..EExtended strand (participates in β ladder)trans-138.9131.9179.1-174.6171.2-74.200111.4N102 S103 V150 G151 V159 S161N102-Q163 PolarHBondContact N-O 2.95Å; N102-Q163 PolarHBondContact O-NE2 3.4Å; S103-Q163 PolarHBondContact O-NE2 3.44Å; V150-Q163 VanDerWaalsContact CG1-CD 3.43Å; V150-Q163 HydrophobicContact CG1-CG 3.4Å; G151-Q163 WeakPolarHBondContact O-CA 3.42Å; V159-Q163 VanDerWaalsContact CG1-C 3.47Å; V159-Q163 VanDerWaalsContact CG1-O 3.22Å; V159-Q163 WeakPolarHBondContact CG1-O 3.47Å; S161-Q163 PolarHBondContact O-N 3.34Å; S161-Q163 PolarHBondContact OG-N 2.99Å; S161-Q163 PolarHBondContact OG-O 3.39Å
164I96.4Very high93.5Very high0 Ų045.6 Ų45.60%025%0.252CS..EExtended strand (participates in β ladder)trans-107.9139.8171.4-169.9170.7000109.6A73 N77 L78 A100 V150 G151 C153 V159 V166A73-I164 HydrophobicContact CB-CG2 4.03Å; A73-I164 WeakPolarHBondContact O-CG2 3.33Å; N77-I164 VanDerWaalsContact C-CD1 3.49Å; N77-I164 VanDerWaalsContact O-CD1 3.24Å; N77-I164 WeakPolarHBondContact O-CD1 3.22Å; L78-I164 HydrophobicContact CD2-CD1 3.83Å; L78-I164 HydrophobicContact CD2-CG1 3.89Å; L78-I164 HydrophobicContact CG-CD1 4.15Å; A100-I164 WeakPolarHBondContact O-CA 3.32Å; V150-I164 CarbonylContact C-O 3.52Å; V150-I164 WeakPolarHBondContact CA-O 3.43Å; G151-I164 PolarHBondContact N-O 3.25Å; G151-I164 PolarHBondContact O-N 3.15Å; C153-I164 VanDerWaalsContact SG-CG2 3.58Å; V159-I164 HydrophobicContact CG1-CB 4.38Å; V159-I164 HydrophobicContact CG2-CB 4.08Å; V159-I164 HydrophobicContact CG2-CD1 4.26Å; V159-I164 HydrophobicContact CG2-CG1 4.43Å; I164-V166 HydrophobicContact CD1-CG2 4.07Å; I164-V166 HydrophobicContact CG1-CG2 3.99Å
165I97.7Very high93.7Very high0 Ų041.4 Ų41.40%023%0.23CC..EExtended strand (participates in β ladder)trans-116.3132.1173.2-61.3151000107.3L30 T99 A100 N102 V105 A108 W112 V150L30-I165 HydrophobicContact CD1-CG2 3.66Å; L30-I165 HydrophobicContact CD2-CG2 3.89Å; L30-I165 HydrophobicContact CG-CG2 4.45Å; T99-I165 CarbonylContact C-O 3.52Å; T99-I165 VanDerWaalsContact CA-O 3.24Å; T99-I165 WeakPolarHBondContact CA-O 3.23Å; A100-I165 HydrophobicContact CB-CB 4.4Å; A100-I165 PolarHBondContact N-O 3.36Å; A100-I165 PolarHBondContact O-N 3.07Å; N102-I165 HydrophobicContact CB-CD1 4.04Å; N102-I165 WeakPolarHBondContact O-CD1 3.4Å; V105-I165 HydrophobicContact CB-CD1 4.44Å; V105-I165 HydrophobicContact CG1-CD1 4.11Å; V105-I165 HydrophobicContact CG1-CG1 4.13Å; A108-I165 HydrophobicContact CB-CD1 3.35Å; W112-I165 HydrophobicContact CH2-CG2 3.89Å; V150-I165 HydrophobicContact CG2-CG1 4.2Å
166V97.9Very high94.3Very high0 Ų041.2 Ų41.20%022%0.219CC..EExtended strand (participates in β ladder)trans-132.1128.4-178.3-174.50000108.7A69 Q72 A73 I97 N98 T99 C148 S149 I164 Y168A69-V166 HydrophobicContact CB-CB 4.25Å; A69-V166 HydrophobicContact CB-CG1 3.93Å; Q72-V166 HydrophobicContact CB-CG1 4.27Å; Q72-V166 HydrophobicContact CB-CG2 4.5Å; Q72-V166 HydrophobicContact CG-CG1 4.32Å; Q72-V166 HydrophobicContact CG-CG2 4.2Å; A73-V166 HydrophobicContact CB-CG2 3.98Å; I97-V166 HydrophobicContact CG2-CG1 4.34Å; N98-V166 WeakPolarHBondContact O-CA 3.18Å; T99-V166 HydrophobicContact CG2-CG1 4.43Å; T99-V166 HydrophobicContact CG2-CG2 4.33Å; C148-V166 CarbonylContact C-O 3.59Å; C148-V166 WeakPolarHBondContact CA-O 3.18Å; S149-V166 PolarHBondContact N-O 3.32Å; S149-V166 PolarHBondContact O-N 3.15Å; I164-V166 HydrophobicContact CD1-CG2 4.07Å; I164-V166 HydrophobicContact CG1-CG2 3.99Å; V166-Y168 HydrophobicContact CG1-CD1 3.76Å; V166-Y168 HydrophobicContact CG1-CE1 3.43Å; V166-Y168 VanDerWaalsContact CG1-CE1 3.43Å
167C98.6Very high94.9Very high0 Ų037.4 Ų37.40%021%0.208CC..EExtended strand (participates in β ladder)trans-127.7128171.6-74.60000110I97 N98 W112 G147 C148 Y169I97-C167 WeakPolarHBondContact CA-O 3.47Å; N98-C167 PolarHBondContact N-O 3.09Å; N98-C167 PolarHBondContact O-N 2.68Å; W112-C167 HydrophobicContact CH2-CB 4.46Å; W112-C167 HydrophobicContact CZ3-CB 4.28Å; G147-C167 WeakPolarHBondContact O-CA 3.43Å; C148-C167 HydrophobicContact CB-CB 4.13Å; C148-C167 WeakPolarHBondContact CB-SG 3.49Å; C148-C167 WeakPolarHBondContact SG-CB 3.48Å; C148-C167 CovalentContact SG-SG 2.05Å; C148-C167 PolarHBondContact SG-SG 3.01Å; C167-Y169 HydrophobicContact CB-CE2 4.1Å; C167-Y169 WeakPolarHBondContact O-CE2 3.4Å
168Y98.5Very high95.4Very high0 Ų038 Ų380%021%0.214CC..EExtended strand (participates in β ladder)trans-103.8144.6174.4-77.722.1000109.5L65 L68 A69 Q72 I87 I95 G96 I97 I146 G147 V166L65-Y168 HydrophobicContact CD2-CD2 4.45Å; L68-Y168 HydrophobicContact CB-CD2 3.95Å; L68-Y168 HydrophobicContact CB-CE2 3.84Å; A69-Y168 HydrophobicContact CB-CD1 4.13Å; A69-Y168 HydrophobicContact CB-CE1 4.46Å; A69-Y168 HydrophobicContact CB-CG 4.31Å; Q72-Y168 VanDerWaalsContact OE1-CZ 3.32Å; Q72-Y168 PolarHBondContact OE1-OH 3.2Å; I87-Y168 HydrophobicContact CD1-CE2 3.77Å; I87-Y168 WeakPolarHBondContact CD1-OH 3.3Å; I87-Y168 HydrophobicContact CG2-CD2 4.28Å; I87-Y168 HydrophobicContact CG2-CE2 3.71Å; I95-Y168 HydrophobicContact CD1-CD2 4.17Å; I95-Y168 HydrophobicContact CD1-CE2 4.05Å; G96-Y168 CarbonylContact O-C 3.52Å; G96-Y168 VanDerWaalsContact O-CA 3.28Å; G96-Y168 WeakPolarHBondContact O-CA 3.48Å; I97-Y168 HydrophobicContact CB-CD1 4.25Å; I97-Y168 HydrophobicContact CB-CE1 4.1Å; I97-Y168 HydrophobicContact CD1-CD1 4.48Å; I97-Y168 HydrophobicContact CD1-CE1 3.75Å; I97-Y168 HydrophobicContact CG1-CD1 3.84Å; I97-Y168 HydrophobicContact CG1-CE1 3.59Å; I97-Y168 HydrophobicContact CG1-CG 4.44Å; I97-Y168 HydrophobicContact CG2-CD1 3.91Å; I97-Y168 HydrophobicContact CG2-CE1 3.54Å; I146-Y168 VanDerWaalsContact CA-O 3.25Å; I146-Y168 WeakPolarHBondContact CA-O 3.49Å; I146-Y168 WeakPolarHBondContact CG1-O 3.49Å; G147-Y168 PolarHBondContact N-O 3.04Å; G147-Y168 PolarHBondContact O-N 3.39Å; V166-Y168 HydrophobicContact CG1-CD1 3.76Å; V166-Y168 HydrophobicContact CG1-CE1 3.43Å; V166-Y168 VanDerWaalsContact CG1-CE1 3.43Å
169Y98.3Very high95.8Very high0 Ų036.4 Ų36.40%021%0.206CC..EExtended strand (participates in β ladder)trans-131144.5-179.7-47.8-94.7000109.7H34 I95 G96 N98 R137 F145 I146 C167 M172H34-Y169 AromaticContact CD2-CE1 3.56Å; H34-Y169 AromaticContact CD2-CZ 4Å; H34-Y169 AromaticContact NE2-CE1 3.57Å; H34-Y169 AromaticContact NE2-CZ 3.53Å; H34-Y169 PolarHBondContact NE2-OH 3.36Å; I95-Y169 CarbonylContact C-O 3.48Å; I95-Y169 VanDerWaalsContact CA-O 3.28Å; I95-Y169 WeakPolarHBondContact CA-O 3.5Å; G96-Y169 PolarHBondContact N-O 3.34Å; G96-Y169 WeakPolarHBondContact O-CD2 3.21Å; G96-Y169 PolarHBondContact O-N 3.39Å; N98-Y169 HydrophobicContact CB-CE2 3.92Å; N98-Y169 PolarHBondContact ND2-OH 2.94Å; R137-Y169 HydrophobicContact CB-CD2 4.15Å; R137-Y169 HydrophobicContact CB-CE2 4.01Å; F145-Y169 CarbonylContact O-C 3.56Å; F145-Y169 WeakPolarHBondContact O-CA 3.41Å; I146-Y169 HydrophobicContact CB-CD1 4.22Å; I146-Y169 HydrophobicContact CD1-CD1 3.93Å; I146-Y169 HydrophobicContact CD1-CE1 3.47Å; I146-Y169 VanDerWaalsContact CD1-CE1 3.47Å; I146-Y169 HydrophobicContact CG1-CD1 3.9Å; I146-Y169 HydrophobicContact CG1-CE1 3.9Å; C167-Y169 HydrophobicContact CB-CE2 4.1Å; C167-Y169 WeakPolarHBondContact O-CE2 3.4Å; Y169-M172 HydrophobicContact CD2-CE 4.35Å; Y169-M172 HydrophobicContact CG-CE 4.09Å
170S97.7Very high96Very high7 Ų736.3 Ų36.35%0.04921%0.205CC..EExtended strand (participates in β ladder)trans-149.1148.3174179.90000112.6Y91 Q94 E144 F145Y91-S170 VanDerWaalsContact CE1-CB 3.5Å; Y91-S170 WeakPolarHBondContact CE1-OG 3.26Å; Q94-S170 PolarHBondContact O-OG 2.98Å; E144-S170 PolarHBondContact N-O 2.78Å; F145-S170 PolarHBondContact N-O 3.26Å; F145-S170 PolarHBondContact O-N 3.37Å
171P97.1Very high96.3Very high41 Ų4129.1 Ų29.127%0.26617%0.174SC..SBendcis-71.4147.4-14.928.8-35.4000111.6Q94 K142 A143Q94-P171 WeakPolarHBondContact O-CA 3.35Å; K142-P171 HydrophobicContact CB-CG 4.43Å; K142-P171 WeakPolarHBondContact O-CD 3.46Å; K142-P171 WeakPolarHBondContact O-CG 3.47Å; A143-P171 WeakPolarHBondContact CA-O 3.46Å
172M96.7Very high96.4Very high9 Ų931 Ų314%0.04418%0.183CC..  trans-116.1139.6174.8-169.958.456.600111.2Q94 R137 W140 A143 Y169 V175Q94-M172 WeakPolarHBondContact CB-O 3.01Å; Q94-M172 PolarHBondContact O-N 3.47Å; Q94-M172 PolarHBondContact OE1-O 3.45Å; R137-M172 HydrophobicContact CB-CE 4.09Å; R137-M172 HydrophobicContact CG-CE 4.06Å; R137-M172 HydrophobicContact CG-SD 4.15Å; W140-M172 HydrophobicContact CB-CE 3.88Å; W140-M172 HydrophobicContact CB-SD 4.09Å; W140-M172 HydrophobicContact CD2-SD 3.6Å; W140-M172 HydrophobicContact CE3-SD 4.1Å; W140-M172 HydrophobicContact CG-CE 3.9Å; W140-M172 HydrophobicContact CG-SD 3.55Å; W140-M172 VanDerWaalsContact CG-SD 3.55Å; A143-M172 HydrophobicContact CB-CE 4.44Å; Y169-M172 HydrophobicContact CD2-CE 4.35Å; Y169-M172 HydrophobicContact CG-CE 4.09Å; M172-V175 HydrophobicContact CG-CG2 3.79Å; M172-V175 HydrophobicContact SD-CG2 3.44Å; M172-V175 WeakPolarHBondContact SD-CG2 3.45Å
173G94.4Very high96.4Very high31 Ų3132.9 Ų32.932%0.3219%0.185SC..  trans-104.7-160173.900000113.3W140 V175W140-G173 VanDerWaalsContact CZ2-CA 3.49Å; G173-V175 PolarHBondContact O-N 3.15Å
174D95.3Very high96.5Very high84 Ų8433.7 Ų33.745%0.44919%0.19SC..  trans-76.490.5176.5-168.1-25000110.7K176 T177 S178D174-K176 PolarHBondContact O-N 3.41Å; D174-K176 WeakPolarHBondContact OD1-CB 3.48Å; D174-K176 PolarHBondContact OD1-N 2.91Å; D174-T177 WeakPolarHBondContact CB-OG1 3.48Å; D174-T177 PolarHBondContact O-N 3.16Å; D174-T177 PolarHBondContact OD1-N 2.84Å; D174-T177 VanDerWaalsContact OD1-N 3.13Å; D174-T177 PolarHBondContact OD1-OG1 3.25Å; D174-T177 WeakPolarHBondContact OD2-CG2 3.28Å; D174-T177 PolarHBondContact OD2-OG1 3.03Å; D174-S178 WeakPolarHBondContact O-CB 3.37Å; D174-S178 PolarHBondContact O-N 2.9Å; D174-S178 PolarHBondContact O-OG 2.76Å
175V94.9Very high96.3Very high10 Ų1041.7 Ų41.76%0.06123%0.225CC..THydrogen-bonded Turntrans-60.7-24.9179.2-167.80000112L133 K136 R137 W140 M172 G173L133-V175 HydrophobicContact CB-CG1 4.38Å; L133-V175 HydrophobicContact CD2-CG1 3.93Å; K136-V175 HydrophobicContact CB-CG1 3.5Å; K136-V175 VanDerWaalsContact CB-CG1 3.5Å; K136-V175 HydrophobicContact CD-CG1 4.37Å; K136-V175 WeakPolarHBondContact CE-O 3.49Å; K136-V175 PolarHBondContact NZ-O 3.43Å; R137-V175 HydrophobicContact CG-CG1 4.06Å; R137-V175 HydrophobicContact CG-CG2 3.93Å; W140-V175 HydrophobicContact CE3-CG2 4.39Å; W140-V175 HydrophobicContact CZ3-CB 4.35Å; W140-V175 HydrophobicContact CZ3-CG1 4.45Å; W140-V175 HydrophobicContact CZ3-CG2 4.24Å; M172-V175 HydrophobicContact CG-CG2 3.79Å; M172-V175 HydrophobicContact SD-CG2 3.44Å; M172-V175 WeakPolarHBondContact SD-CG2 3.45Å; G173-V175 PolarHBondContact O-N 3.15Å
176K94.5Very high96.1Very high117 Ų11749.6 Ų49.651%0.50927%0.265SS..THydrogen-bonded Turntrans-79.7-39.2-178.9-63.4-170.9-176.1-169.90111.1E130 L133 D174E130-K176 WeakPolarHBondContact OE1-CE 3.38Å; E130-K176 IonicContact OE1-NZ 3.58Å; E130-K176 PolarHBondContact OE1-NZ 3.07Å; E130-K176 IonicContact OE2-NZ 2.78Å; L133-K176 HydrophobicContact CD1-CD 4.49Å; L133-K176 HydrophobicContact CD1-CG 3.98Å; L133-K176 HydrophobicContact CD2-CG 4.22Å; D174-K176 PolarHBondContact O-N 3.41Å; D174-K176 WeakPolarHBondContact OD1-CB 3.48Å; D174-K176 PolarHBondContact OD1-N 2.91Å
177T95.3Very high95.8Very high93 Ų9353.9 Ų53.957%0.57129%0.288SS*.THydrogen-bonded Turntrans-100.8-12.7-170.865.70000114.9N124 D174N124-T177 PolarHBondContact ND2-O 2.98Å; D174-T177 WeakPolarHBondContact CB-OG1 3.48Å; D174-T177 PolarHBondContact O-N 3.16Å; D174-T177 PolarHBondContact OD1-N 2.84Å; D174-T177 VanDerWaalsContact OD1-N 3.13Å; D174-T177 PolarHBondContact OD1-OG1 3.25Å; D174-T177 WeakPolarHBondContact OD2-CG2 3.28Å; D174-T177 PolarHBondContact OD2-OG1 3.03Å
178S96.2Very high95.5Very high45 Ų4556.7 Ų56.732%0.31531%0.307SS..SBendtrans-118.3147.8-171.2-38.20000112N124 K136 D174N124-S178 WeakPolarHBondContact ND2-CA 3.44Å; N124-S178 PolarHBondContact ND2-N 2.8Å; N124-S178 PolarHBondContact OD1-O 3.09Å; K136-S178 WeakPolarHBondContact CE-O 3.39Å; K136-S178 PolarHBondContact NZ-O 2.92Å; D174-S178 WeakPolarHBondContact O-CB 3.37Å; D174-S178 PolarHBondContact O-N 2.9Å; D174-S178 PolarHBondContact O-OG 2.76Å
179Q97Very high95.2Very high81 Ų8157.6 Ų57.638%0.37931%0.313SS..  trans-61.1144168-72.2176.5-40.600109.1F121 N124 Y181F121-Q179 HydrophobicContact CE2-CB 4.42Å; F121-Q179 HydrophobicContact CZ-CB 4.44Å; F121-Q179 PolarHBondContact O-NE2 3.1Å; N124-Q179 HydrophobicContact CB-CG 3.88Å; N124-Q179 PolarHBondContact ND2-N 2.96Å; Q179-Y181 PolarHBondContact O-N 2.91Å
180P97.2Very high94.7Very high0 Ų069.1 Ų69.10%036%0.356CS..SBendtrans-73.5-17-175.931.7-34.8000112.5Y119 K136 V139 W140 D141Y119-P180 HydrophobicContact CE1-CG 4.09Å; Y119-P180 WeakPolarHBondContact OH-CD 3.46Å; K136-P180 HydrophobicContact CB-CB 4.05Å; K136-P180 HydrophobicContact CB-CG 4.49Å; K136-P180 HydrophobicContact CG-CB 4.23Å; K136-P180 HydrophobicContact CG-CG 4.14Å; K136-P180 WeakPolarHBondContact O-CB 3.44Å; V139-P180 HydrophobicContact CG2-CB 3.8Å; V139-P180 HydrophobicContact CG2-CG 3.81Å; W140-P180 CarbonylContact C-O 3.6Å; W140-P180 VanDerWaalsContact CA-O 3.22Å; W140-P180 WeakPolarHBondContact CA-O 3.48Å; W140-P180 HydrophobicContact CE3-CB 3.86Å; W140-P180 HydrophobicContact CZ3-CB 4.32Å; D141-P180 PolarHBondContact N-O 2.76Å
181Y97.1Very high93.8Very high3 Ų371.4 Ų71.41%0.01237%0.366CS..SBendtrans-157.6162.4177.253.7-100.2000111L41 P50 P52 F121 V139 Q179L41-Y181 HydrophobicContact CD1-CE1 3.97Å; P50-Y181 HydrophobicContact CG-CE2 4.06Å; P50-Y181 WeakPolarHBondContact O-CE2 3.46Å; P50-Y181 PolarHBondContact O-OH 2.82Å; P52-Y181 HydrophobicContact CB-CD1 4.24Å; P52-Y181 HydrophobicContact CB-CD2 3.45Å; P52-Y181 VanDerWaalsContact CB-CD2 3.45Å; P52-Y181 HydrophobicContact CB-CE2 3.87Å; P52-Y181 HydrophobicContact CB-CG 3.64Å; F121-Y181 HydrophobicContact CD2-CD2 4.48Å; F121-Y181 HydrophobicContact CD2-CE1 4.26Å; F121-Y181 AromaticContact CD2-CE2 3.83Å; F121-Y181 HydrophobicContact CD2-CE2 3.83Å; F121-Y181 AromaticContact CD2-CZ 3.68Å; F121-Y181 HydrophobicContact CE2-CD1 4.27Å; F121-Y181 AromaticContact CE2-CD2 3.45Å; F121-Y181 HydrophobicContact CE2-CD2 3.45Å; F121-Y181 VanDerWaalsContact CE2-CD2 3.45Å; F121-Y181 AromaticContact CE2-CE1 3.99Å; F121-Y181 HydrophobicContact CE2-CE1 3.99Å; F121-Y181 AromaticContact CE2-CE2 3.15Å; F121-Y181 HydrophobicContact CE2-CE2 3.15Å; F121-Y181 HydrophobicContact CE2-CG 4.03Å; F121-Y181 AromaticContact CE2-CZ 3.44Å; F121-Y181 VanDerWaalsContact CE2-CZ 3.44Å; F121-Y181 AromaticContact CZ-CD2 3.82Å; F121-Y181 HydrophobicContact CZ-CD2 3.82Å; F121-Y181 AromaticContact CZ-CE2 3.69Å; F121-Y181 HydrophobicContact CZ-CE2 3.69Å; F121-Y181 VanDerWaalsContact CZ-O 3.26Å; F121-Y181 WeakPolarHBondContact CZ-O 3.04Å; V139-Y181 HydrophobicContact CB-CD1 4.16Å; V139-Y181 HydrophobicContact CB-CE1 4.17Å; V139-Y181 HydrophobicContact CG2-CD1 3.81Å; V139-Y181 HydrophobicContact CG2-CE1 3.71Å; V139-Y181 WeakPolarHBondContact O-CD1 3.44Å; Q179-Y181 PolarHBondContact O-N 2.91Å
182V95.1Very high92.6Very high87 Ų8774.1 Ų74.153%0.52738%0.384SS..  trans-82.1134.5169.2-178.10000110.3P52 F53 D141P52-V182 CarbonylContact C-O 3.58Å; P52-V182 WeakPolarHBondContact CA-O 3.4Å; F53-V182 PolarHBondContact N-O 3.47Å; D141-V182 PolarHBondContact OD2-N 3.06Å
183E95.5Very high90.8Very high66 Ų6679.3 Ų79.331%0.30842%0.418SS..BIsolated β-bridgetrans-67133.6172.1170.3176.5-150.400111.7P50 R51 F121 K185P50-E183 HydrophobicContact CB-CB 4.15Å; P50-E183 HydrophobicContact CB-CG 3.77Å; P50-E183 HydrophobicContact CG-CB 4.34Å; P50-E183 HydrophobicContact CG-CG 4.46Å; R51-E183 CarbonylContact O-C 3.6Å; R51-E183 WeakPolarHBondContact O-CA 3.47Å; F121-E183 HydrophobicContact CE1-CB 4.25Å; F121-E183 HydrophobicContact CZ-CB 4.4Å; E183-K185 HydrophobicContact CG-CG 4.19Å; E183-K185 PolarHBondContact O-N 2.99Å; E183-K185 VanDerWaalsContact O-N 3.08Å
184N94.8Very high88.9Confident33 Ų3383.2 Ų83.218%0.17643%0.43CS..  trans-75.693.5168.7-174.1-18.7000110.4R51 F53 I186 D187R51-N184 HydrophobicContact CB-CB 4.32Å; R51-N184 HydrophobicContact CG-CB 4.07Å; R51-N184 PolarHBondContact O-N 3.18Å; F53-N184 HydrophobicContact CB-CB 4.28Å; N184-I186 VanDerWaalsContact C-N 3.3Å; N184-I186 PolarHBondContact O-N 3.33Å; N184-I186 WeakPolarHBondContact OD1-CB 3.28Å; N184-I186 PolarHBondContact OD1-N 3.23Å; N184-I186 VanDerWaalsContact OD1-N 3.09Å; N184-D187 CarbonylContact O-C 3.42Å; N184-D187 PolarHBondContact OD1-N 3.42Å
185K92.3Very high86.6Confident168 Ų16885 Ų8573%0.7344%0.444SS*.SBendtrans-74.8-14.4179.5-63.2-175.5179.3-179.30114.5E183E183-K185 HydrophobicContact CG-CG 4.19Å; E183-K185 PolarHBondContact O-N 2.99Å; E183-K185 VanDerWaalsContact O-N 3.08Å
186I92.9Very high84.1Confident167 Ų16790 Ų9086%0.85648%0.475SS*.SBendtrans-74.8-38.3178.7-61.5174.6000110N184N184-I186 VanDerWaalsContact C-N 3.3Å; N184-I186 PolarHBondContact O-N 3.33Å; N184-I186 WeakPolarHBondContact OD1-CB 3.28Å; N184-I186 PolarHBondContact OD1-N 3.23Å; N184-I186 VanDerWaalsContact OD1-N 3.09Å
187D91.9Very high81.5Confident90 Ų9090 Ų9048%0.48149%0.485SS..SBendtrans-134.479.1177.9-174.611.9000108.9R51 N184R51-D187 WeakPolarHBondContact CD-O 3.5Å; R51-D187 IonicContact CZ-OD2 3.76Å; R51-D187 PolarHBondContact NH1-O 3.48Å; R51-D187 IonicContact NH1-OD1 3.69Å; R51-D187 PolarHBondContact NH1-OD1 3.46Å; R51-D187 IonicContact NH1-OD2 2.9Å; R51-D187 PolarHBondContact NH1-OD2 2.89Å; R51-D187 IonicContact NH2-OD2 2.78Å; N184-D187 CarbonylContact O-C 3.42Å; N184-D187 PolarHBondContact OD1-N 3.42Å
188P92Very high78.8Confident59 Ų5990.6 Ų90.638%0.38349%0.489SS..  trans-76.5151.3-177.530.4-34.8000112
189C92.8Very high76Confident19 Ų1994 Ų9413%0.12851%0.508CS..  trans-66.7136.6169.8-64.90000110.6C44 R51 H191C44-C189 WeakPolarHBondContact CA-SG 3.06Å; C44-C189 HydrophobicContact CB-CB 3.72Å; C44-C189 WeakPolarHBondContact CB-SG 3.36Å; C44-C189 WeakPolarHBondContact SG-CA 2.98Å; C44-C189 WeakPolarHBondContact SG-CB 3.45Å; C44-C189 CovalentContact SG-SG 2.04Å; C44-C189 PolarHBondContact SG-SG 3.25Å; R51-C189 VanDerWaalsContact CB-SG 3.56Å; R51-C189 PolarHBondContact N-SG 3.24Å; C189-H191 WeakPolarHBondContact CB-NE2 3.44Å; C189-H191 PolarHBondContact O-N 3.3Å
190R87.7Confident73.2Confident242 Ų24296 Ų9691%0.91353%0.525SS*.  trans-96.590.5172.4-62.1-176.8-171.5-174.81.9109
191H79.1Confident70.4Confident54 Ų54104.3 Ų104.325%0.2556%0.562CS.*PPolyproline II helixtrans-82.7141.3170.9-62.4-55.2000109.5V46 Q49 C189V46-H191 PolarHBondContact O-CE1 3.32Å; Q49-H191 PolarHBondContact O-NE2 2.84Å; C189-H191 WeakPolarHBondContact CB-NE2 3.44Å; C189-H191 PolarHBondContact O-N 3.3Å
192P72.8Confident67.6Low99 Ų99109.7 Ų109.764%0.64360%0.597SS**PPolyproline II helixtrans-56.1142.1172.2-18.730.2000109.7I194P192-I194 PolarHBondContact O-N 3.12Å
193P57.6Low64.9Low118 Ų118112.8 Ų112.877%0.76661%0.609SS**PPolyproline II helixtrans-57.4128.7174.321-29.3000110.1T195P193-T195 PolarHBondContact O-N 3.08Å
194I55.9Low62.1Low113 Ų113114.9 Ų114.958%0.57963%0.626SS**  trans-55.3111.7176.4-57.9172.1000108.1E48 P192 T196E48-I194 WeakPolarHBondContact OE2-CD1 3.45Å; P192-I194 PolarHBondContact O-N 3.12Å; I194-T196 VanDerWaalsContact C-N 3.29Å; I194-T196 HydrophobicContact CG2-CG2 4.3Å; I194-T196 PolarHBondContact O-N 3.44Å
195T45.5Very low59.6Low120 Ų120118.9 Ų118.974%0.73665%0.652SS**  trans-75.590.6169.7-47.60000106.9P193 T197P193-T195 PolarHBondContact O-N 3.08Å; T195-T197 PolarHBondContact O-N 2.79Å
196T42Very low57.1Low115 Ų115117.2 Ų117.271%0.70666%0.656SS**  trans-66.481.9170.621.40000108.5I194 T198I194-T196 VanDerWaalsContact C-N 3.29Å; I194-T196 HydrophobicContact CG2-CG2 4.3Å; I194-T196 PolarHBondContact O-N 3.44Å; T196-T198 PolarHBondContact O-N 3.01Å
197T41.3Very low54.7Low117 Ų117119.2 Ų119.272%0.71865%0.653SS**  trans-76.584.6157.827.50000106.7T195 T199T195-T197 PolarHBondContact O-N 2.79Å; T197-T199 PolarHBondContact O-N 3.07Å
198T38.2Very low52.2Low107 Ų107124.8 Ų124.866%0.65667%0.673SS**  trans-64.975.6167.7-41.20000108.6T196 T200T196-T198 PolarHBondContact O-N 3.01Å; T198-T200 HydrophobicContact CG2-CG2 4.05Å; T198-T200 PolarHBondContact O-N 3.34Å
199T37.8Very low49.8Very low117 Ų117128.5 Ų128.572%0.71869%0.688SS**  trans-87.976160.3-470000106.5T197 K201T197-T199 PolarHBondContact O-N 3.07Å; T199-K201 PolarHBondContact O-N 2.79Å
200T36.6Very low47.1Very low121 Ų121136.5 Ų136.574%0.74272%0.724SS**  trans-61.686.4161.728.20000108.3T198T198-T200 HydrophobicContact CG2-CG2 4.05Å; T198-T200 PolarHBondContact O-N 3.34Å
201K40.1Very low44.6Very low175 Ų175133.7 Ų133.776%0.76172%0.723SS**  trans-80.6121.5150.3-92.7-171.5176.8-178.90106.7T199 I203T199-K201 PolarHBondContact O-N 2.79Å; K201-I203 PolarHBondContact O-N 2.95Å; K201-I203 VanDerWaalsContact O-N 3.09Å
202P37.4Very low42.8Very low116 Ų116133.6 Ų133.675%0.75374%0.737SS**  trans-63.8114.6176.124-29.1000108.8T204P202-T204 PolarHBondContact O-N 3Å
203I39.3Very low41.2Very low153 Ų153134.4 Ų134.479%0.78574%0.742SS**  trans-79.3103.2167.6-60.4177.3000106.7K201 V205K201-I203 PolarHBondContact O-N 2.95Å; K201-I203 VanDerWaalsContact O-N 3.09Å; I203-V205 PolarHBondContact O-N 3.23Å
204T36.9Very low40.6Very low109 Ų109137.2 Ų137.267%0.66974%0.739SS**  trans-7098.1171.4-50.60000109.2P202 T206P202-T204 PolarHBondContact O-N 3Å; T204-T206 HydrophobicContact CG2-CG2 4.3Å; T204-T206 PolarHBondContact O-N 3.48Å; T204-T206 PolarHBondContact O-OG1 2.04Å
205V40.7Very low39.6Very low117 Ų117135.5 Ų135.571%0.70975%0.749SS**  trans-69.995.9172.6-178.50000108.8I203 R207I203-V205 PolarHBondContact O-N 3.23Å; V205-R207 VanDerWaalsContact C-N 3.31Å; V205-R207 PolarHBondContact O-N 3.33Å
206T40.2Very low39.3Very low134 Ų134138.3 Ų138.382%0.82275%0.746SS**  trans-86.26.3-175.49.80000114.1T204T204-T206 HydrophobicContact CG2-CG2 4.3Å; T204-T206 PolarHBondContact O-N 3.48Å; T204-T206 PolarHBondContact O-OG1 2.04Å
207R43.6Very low39.1Very low209 Ų209141.5 Ų141.579%0.78975%0.746SS**SBendtrans-149.5119.6176.3-152.6173.8-175.3-171.80.3110.5V205 L209V205-R207 VanDerWaalsContact C-N 3.31Å; V205-R207 PolarHBondContact O-N 3.33Å; R207-L209 PolarHBondContact O-N 3.48Å
208K38.6Very low38.8Very low207 Ų207147 Ų14790%0.975%0.754SS**  trans-57.9108.4166.1-76.6-176.7175.3-178.20107.6Q210K208-Q210 PolarHBondContact O-N 2.69Å
209L41.8Very low38.7Very low136 Ų136147.5 Ų147.571%0.71276%0.76SS**PPolyproline II helixtrans-72.3119.3173.9-75.8164.7000108.2R207R207-L209 PolarHBondContact O-N 3.48Å
210Q35.6Very low38.5Very low187 Ų187149.6 Ų149.687%0.87477%0.767SS**PPolyproline II helixtrans-73.5142173.9-74176.8-53.900109.8K208 G212K208-Q210 PolarHBondContact O-N 2.69Å; Q210-G212 PolarHBondContact O-N 3.2Å
211M35.9Very low38.5Very low183 Ų183149.3 Ų149.390%0.90177%0.769SS**PPolyproline II helixtrans-57.3118.1172.1-69.217263.200110
212G40.9Very low38.4Very low52 Ų52150.3 Ų150.354%0.53677%0.773SS.*PPolyproline II helixtrans-79152.4163.800000110.2Q210 Y214Q210-G212 PolarHBondContact O-N 3.2Å; G212-Y214 PolarHBondContact O-N 3.09Å
213P38.6Very low38.3Very low117 Ų117150.9 Ų150.976%0.7678%0.778SS**THydrogen-bonded Turntrans-68.65-17322.6-29.4000116.1
214Y44.6Very low38.2Very low177 Ų177151.9 Ų151.969%0.69478%0.78SS**THydrogen-bonded Turntrans-144.121.7-170.4-62.8-74.2000116.9G212 R216G212-Y214 PolarHBondContact O-N 3.09Å; Y214-R216 PolarHBondContact O-N 2.78Å
215G36.4Very low38.5Very low76 Ų76156.2 Ų156.278%0.78481%0.81SS**  trans57.925.915500000121
216R39.6Very low38.3Very low180 Ų180158.2 Ų158.268%0.67982%0.815SS**  trans-125.2126.4169.1-87.5-172.6-169.9-173.11.7112.8Y214Y214-R216 PolarHBondContact O-N 2.78Å
217Y37.8Very low38.2Very low181 Ų181159.5 Ų159.571%0.7182%0.815SS**  trans-93.1121.4163.8-63.2-80.1000109.4
218R34.2Very low37.9Very low234 Ų234156.7 Ų156.788%0.88382%0.816SS**  trans-101.1119.4161-87.7-173.8175.6173.1-0.3107.7
219C35.5Very low37.9Very low116 Ų116153.8 Ų153.878%0.78481%0.811SS**  trans-88.4106.9165.6-70.50000109.1C221C219-C221 PolarHBondContact O-N 3.32Å
220D34.5Very low37.7Very low161 Ų161154.9 Ų154.986%0.86182%0.817SS**  trans-81.796160-98.1-29000108.1
221C36.5Very low37.8Very low116 Ų116152.7 Ų152.778%0.78481%0.814SS**  trans-99100.4165.5-73.70000108.9C219 C223C219-C221 PolarHBondContact O-N 3.32Å; C221-C223 PolarHBondContact O-N 2.82Å
222K36.8Very low37.9Very low196 Ų196150.6 Ų150.685%0.85281%0.807SS**  trans-72.7113.5156.8-74.9-175.1177.2-179.30108Q224K222-Q224 PolarHBondContact O-N 2.9Å
223C35.8Very low37.7Very low127 Ų127158.2 Ų158.286%0.85883%0.828SS**  trans-66.9118.4158.2-64.20000107.8C221C221-C223 PolarHBondContact O-N 2.82Å
224Q37.8Very low37.6Very low174 Ų174161.6 Ų161.681%0.81383%0.834SS**  trans-92.2151.4159.9-71.3-160.1-5400107.7K222K222-Q224 PolarHBondContact O-N 2.9Å
225P42Very low37Very low201 Ų201160.2 Ų160.2100%1.30585%0.847SS**  -54.30-129.523.8-34.5000116.9

Retrieved 225 of 225 residues in 46.5 ms (Link to these results)

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