A0A3Q0KKM4_SCHMA Loading...

Putative ephrin receptor

AlphaFold DB , UniProt , Accession A0A3Q0KKM4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,446 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.6Very low40.3Very low185 Ų185118.1 Ų118.191%0.91160%0.602SS**  0-51.90-75.6-58.4-132.600110.4T3 L4 F5M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 3.2Å; M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 3.23Å; M1-F5 PolarHBondContact O-N 2.91Å; M1-F5 VanDerWaalsContact O-N 3.13Å
2D36.3Very low40.1Very low132 Ų132118.8 Ų118.871%0.70660%0.598SS**Hα-helixtrans-59.6-36.8178.6-56.5-27000113.9L4 F5 I6D2-L4 VanDerWaalsContact C-N 3.35Å; D2-L4 PolarHBondContact O-N 3Å; D2-F5 PolarHBondContact O-N 2.99Å; D2-I6 VanDerWaalsContact O-CG1 3.31Å; D2-I6 WeakPolarHBondContact O-CG1 3.46Å; D2-I6 PolarHBondContact O-N 3.13Å
3T37.2Very low40Very low101 Ų101114.8 Ų114.862%0.6258%0.583SS**Hα-helixtrans-64.7-34.2172.731.90000113.6M1 I7M1-T3 VanDerWaalsContact C-N 3.31Å; M1-T3 PolarHBondContact O-N 3.2Å; T3-I7 WeakPolarHBondContact O-CD1 3.44Å; T3-I7 VanDerWaalsContact O-CG1 3.27Å; T3-I7 WeakPolarHBondContact O-CG1 3.19Å; T3-I7 PolarHBondContact O-N 3.12Å; T3-I7 VanDerWaalsContact O-N 3.12Å
4L37.4Very low39.9Very low107 Ų107113.4 Ų113.456%0.5658%0.578SS**Hα-helixtrans-70.4-38.4176.4-125.2102.8000110.7M1 D2 I7 Q8M1-L4 WeakPolarHBondContact O-CB 3.41Å; M1-L4 PolarHBondContact O-N 3.23Å; D2-L4 VanDerWaalsContact C-N 3.35Å; D2-L4 PolarHBondContact O-N 3Å; L4-I7 PolarHBondContact O-N 3.46Å; L4-Q8 WeakPolarHBondContact O-CB 3.37Å; L4-Q8 PolarHBondContact O-N 3.31Å
5F38.4Very low39.6Very low151 Ų151112.3 Ų112.366%0.66257%0.573SS**Hα-helixtrans-65.6-40.3177.2-134.8-87000111.7M1 D2 Q8 F9M1-F5 PolarHBondContact O-N 2.91Å; M1-F5 VanDerWaalsContact O-N 3.13Å; D2-F5 PolarHBondContact O-N 2.99Å; F5-Q8 PolarHBondContact O-N 3.36Å; F5-F9 WeakPolarHBondContact O-CB 3.45Å; F5-F9 PolarHBondContact O-N 2.82Å
6I45.1Very low39.3Very low107 Ų107112.1 Ų112.155%0.54957%0.574SS.*Hα-helixtrans-64.4-45175.5-66.2165.8000110.8D2 Q8 F9 V10D2-I6 VanDerWaalsContact O-CG1 3.31Å; D2-I6 WeakPolarHBondContact O-CG1 3.46Å; D2-I6 PolarHBondContact O-N 3.13Å; I6-Q8 PolarHBondContact O-N 2.84Å; I6-F9 PolarHBondContact O-N 3.03Å; I6-V10 HydrophobicContact CG2-CG2 4.28Å; I6-V10 WeakPolarHBondContact O-CB 3.11Å; I6-V10 VanDerWaalsContact O-CG2 3.23Å; I6-V10 WeakPolarHBondContact O-CG2 3.44Å; I6-V10 PolarHBondContact O-N 2.94Å
7I43.8Very low39.1Very low100 Ų100113.1 Ų113.151%0.51358%0.58SS.*Hα-helixtrans-64.9-41.7179.2-66.5166.3000110.7T3 L4 F9 V10 V11T3-I7 WeakPolarHBondContact O-CD1 3.44Å; T3-I7 VanDerWaalsContact O-CG1 3.27Å; T3-I7 WeakPolarHBondContact O-CG1 3.19Å; T3-I7 PolarHBondContact O-N 3.12Å; T3-I7 VanDerWaalsContact O-N 3.12Å; L4-I7 PolarHBondContact O-N 3.46Å; I7-F9 VanDerWaalsContact C-N 3.31Å; I7-F9 PolarHBondContact O-N 3.06Å; I7-V10 PolarHBondContact O-N 3.24Å; I7-V11 HydrophobicContact CG2-CG2 4.22Å; I7-V11 WeakPolarHBondContact O-CB 3.44Å; I7-V11 VanDerWaalsContact O-CG2 3.28Å; I7-V11 WeakPolarHBondContact O-CG2 3.47Å; I7-V11 PolarHBondContact O-N 3.16Å
8Q38.7Very low38.8Very low129 Ų129114.4 Ų114.460%0.60359%0.588SS**Hα-helixtrans-63.3-38.8177.4-155.5173.63.300111.4L4 F5 I6 F12L4-Q8 WeakPolarHBondContact O-CB 3.37Å; L4-Q8 PolarHBondContact O-N 3.31Å; F5-Q8 PolarHBondContact O-N 3.36Å; I6-Q8 PolarHBondContact O-N 2.84Å; Q8-F12 VanDerWaalsContact O-CB 3.31Å; Q8-F12 WeakPolarHBondContact O-CB 3.39Å; Q8-F12 PolarHBondContact O-N 3.06Å
9F42.7Very low38.2Very low144 Ų144114.2 Ų114.263%0.63260%0.596SS**Hα-helixtrans-68.6-39.6175.8-157.9-92.8000112.8F5 I6 I7 F12 T13F5-F9 WeakPolarHBondContact O-CB 3.45Å; F5-F9 PolarHBondContact O-N 2.82Å; I6-F9 PolarHBondContact O-N 3.03Å; I7-F9 VanDerWaalsContact C-N 3.31Å; I7-F9 PolarHBondContact O-N 3.06Å; F9-F12 PolarHBondContact O-N 3.07Å; F9-T13 HydrophobicContact CE1-CG2 4.38Å; F9-T13 PolarHBondContact O-N 3.36Å; F9-T13 PolarHBondContact O-OG1 2.8Å
10V46.8Very low37.6Very low70 Ų70112.5 Ų112.542%0.42459%0.591SS.*Hα-helixtrans-67.8-41.5177170.90000111.4I6 I7 T13 L14I6-V10 HydrophobicContact CG2-CG2 4.28Å; I6-V10 WeakPolarHBondContact O-CB 3.11Å; I6-V10 VanDerWaalsContact O-CG2 3.23Å; I6-V10 WeakPolarHBondContact O-CG2 3.44Å; I6-V10 PolarHBondContact O-N 2.94Å; I7-V10 PolarHBondContact O-N 3.24Å; V10-T13 WeakPolarHBondContact CA-OG1 3.44Å; V10-T13 PolarHBondContact O-N 2.72Å; V10-T13 PolarHBondContact O-OG1 3.24Å; V10-L14 HydrophobicContact CG1-CD1 3.76Å; V10-L14 WeakPolarHBondContact O-CB 3.39Å; V10-L14 WeakPolarHBondContact O-CD1 3.36Å; V10-L14 WeakPolarHBondContact O-CG 3.45Å; V10-L14 PolarHBondContact O-N 3.11Å
11V44.6Very low37.3Very low73 Ų73114.1 Ų114.144%0.44260%0.6SS.*Hα-helixtrans-68.2-38.8176.4172.60000111I7 T13 L14 L15I7-V11 HydrophobicContact CG2-CG2 4.22Å; I7-V11 WeakPolarHBondContact O-CB 3.44Å; I7-V11 VanDerWaalsContact O-CG2 3.28Å; I7-V11 WeakPolarHBondContact O-CG2 3.47Å; I7-V11 PolarHBondContact O-N 3.16Å; V11-T13 PolarHBondContact O-N 3.37Å; V11-L14 PolarHBondContact O-N 2.93Å; V11-L15 HydrophobicContact CG1-CD1 3.8Å; V11-L15 WeakPolarHBondContact O-CB 2.95Å; V11-L15 PolarHBondContact O-N 2.89Å
12F37.3Very low37.5Very low127 Ų127115.5 Ų115.556%0.55760%0.597SS**Hα-helixtrans-64.8-38.3176-152-88000112.2Q8 F9 N16Q8-F12 VanDerWaalsContact O-CB 3.31Å; Q8-F12 WeakPolarHBondContact O-CB 3.39Å; Q8-F12 PolarHBondContact O-N 3.06Å; F9-F12 PolarHBondContact O-N 3.07Å; F12-N16 PolarHBondContact O-N 2.72Å
13T39.7Very low37.9Very low66 Ų66116 Ų11641%0.40560%0.595SS.*Hα-helixtrans-73-36.1175.335.10000112.8F9 V10 V11 N17F9-T13 HydrophobicContact CE1-CG2 4.38Å; F9-T13 PolarHBondContact O-N 3.36Å; F9-T13 PolarHBondContact O-OG1 2.8Å; V10-T13 WeakPolarHBondContact CA-OG1 3.44Å; V10-T13 PolarHBondContact O-N 2.72Å; V10-T13 PolarHBondContact O-OG1 3.24Å; V11-T13 PolarHBondContact O-N 3.37Å; T13-N17 PolarHBondContact O-N 3.2Å; T13-N17 PolarHBondContact O-ND2 3.06Å
14L37.6Very low38.6Very low96 Ų96113 Ų11350%0.50358%0.575SS.*Hα-helixtrans-66.3-42.5174.7-85.7156.8000112.5V10 V11 N17 L18V10-L14 HydrophobicContact CG1-CD1 3.76Å; V10-L14 WeakPolarHBondContact O-CB 3.39Å; V10-L14 WeakPolarHBondContact O-CD1 3.36Å; V10-L14 WeakPolarHBondContact O-CG 3.45Å; V10-L14 PolarHBondContact O-N 3.11Å; V11-L14 PolarHBondContact O-N 2.93Å; L14-N17 PolarHBondContact O-N 3.22Å; L14-L18 PolarHBondContact O-N 3.01Å
15L35.6Very low39.5Very low96 Ų96115 Ų11550%0.50359%0.586SS.*Hα-helixtrans-69.9-34.8179.7-89.5154.7000113.1V11 N17 L18V11-L15 HydrophobicContact CG1-CD1 3.8Å; V11-L15 WeakPolarHBondContact O-CB 2.95Å; V11-L15 PolarHBondContact O-N 2.89Å; L15-N17 VanDerWaalsContact C-N 3.27Å; L15-N17 PolarHBondContact O-N 3.24Å; L15-L18 PolarHBondContact O-N 2.79Å
16N35.4Very low41.1Very low110 Ų110110.2 Ų110.259%0.58857%0.567SS**Hα-helixtrans-64-33.2172.2-101.61.5000112.2F12F12-N16 PolarHBondContact O-N 2.72Å
17N36.1Very low42.7Very low128 Ų128113.4 Ų113.468%0.68458%0.579SS**Hα-helixtrans-79.3-17.4-179.8-77.1-25.6000114.4T13 L14 L15T13-N17 PolarHBondContact O-N 3.2Å; T13-N17 PolarHBondContact O-ND2 3.06Å; L14-N17 PolarHBondContact O-N 3.22Å; L15-N17 VanDerWaalsContact C-N 3.27Å; L15-N17 PolarHBondContact O-N 3.24Å
18L33.1Very low44.7Very low138 Ų138111.1 Ų111.172%0.72357%0.571SS**Hα-helixtrans-90.7-15.4-177.4-88.2152.5000114.1L14 L15L14-L18 PolarHBondContact O-N 3.01Å; L15-L18 PolarHBondContact O-N 2.79Å
19C26.7Very low47.1Very low110 Ų110107.4 Ų107.474%0.74356%0.557SS**SBendtrans-112.79-177-74.60000115.3N21C19-N21 PolarHBondContact O-N 2.86Å; C19-N21 VanDerWaalsContact O-N 3.13Å
20T27.7Very low49.4Very low80 Ų80104.9 Ų104.949%0.49155%0.546SS..  trans-80.392.5168.754.30000109.2Y22T20-Y22 PolarHBondContact O-N 2.77Å; T20-Y22 VanDerWaalsContact O-N 3.1Å
21N30.8Very low51.5Low146 Ų146104 Ų10478%0.78154%0.541SS*.  trans-53116.6148.4-88.7-17000105.7C19 E23C19-N21 PolarHBondContact O-N 2.86Å; C19-N21 VanDerWaalsContact O-N 3.13Å; N21-E23 PolarHBondContact O-N 3.16Å
22Y36.6Very low53.7Low214 Ų214104.7 Ų104.784%0.83954%0.541SS*.  trans-66.778.9174.5-86.7-94.3000108.4T20T20-Y22 PolarHBondContact O-N 2.77Å; T20-Y22 VanDerWaalsContact O-N 3.1Å
23E45Very low56.2Low142 Ų142100.9 Ų100.966%0.66453%0.526SS*.  trans-71.9137.4160.3-78.5179.1165.200108N21 N25N21-E23 PolarHBondContact O-N 3.16Å; E23-N25 VanDerWaalsContact C-N 3.27Å; E23-N25 PolarHBondContact O-N 2.82Å
24L52.2Low58.7Low40 Ų4099 Ų9921%0.20951%0.513CS..  trans-71.982.8-179.7-162.482.7000108.6I26 F250 W319 L321L24-I26 HydrophobicContact CD1-CD1 4.33Å; L24-I26 HydrophobicContact CD2-CD1 3.46Å; L24-I26 VanDerWaalsContact CD2-CD1 3.46Å; L24-I26 HydrophobicContact CD2-CG1 4.21Å; L24-I26 HydrophobicContact CG-CD1 3.66Å; L24-I26 HydrophobicContact CG-CG1 3.95Å; L24-I26 PolarHBondContact O-N 3.06Å; L24-F250 HydrophobicContact CD1-CB 4.41Å; L24-F250 HydrophobicContact CD1-CD1 3.68Å; L24-F250 HydrophobicContact CD1-CD2 3.26Å; L24-F250 HydrophobicContact CD1-CE1 3.58Å; L24-F250 HydrophobicContact CD1-CE2 3.15Å; L24-F250 HydrophobicContact CD1-CG 3.5Å; L24-F250 HydrophobicContact CD1-CZ 3.31Å; L24-W319 HydrophobicContact CD2-CB 4.09Å; L24-L321 HydrophobicContact CD2-CD1 4.29Å
25N55.7Low61.2Low148 Ų14895.2 Ų95.279%0.79149%0.493SS*.  trans-75.472.3-179.5-73.5-10.1000110.9E23E23-N25 VanDerWaalsContact C-N 3.27Å; E23-N25 PolarHBondContact O-N 2.82Å
26I72.1Confident63.8Low50 Ų5090.9 Ų90.926%0.25647%0.47SS..PPolyproline II helixtrans-101.4122.6170.6-56.4171.6000107.4L24 P246 T248L24-I26 HydrophobicContact CD1-CD1 4.33Å; L24-I26 HydrophobicContact CD2-CD1 3.46Å; L24-I26 VanDerWaalsContact CD2-CD1 3.46Å; L24-I26 HydrophobicContact CD2-CG1 4.21Å; L24-I26 HydrophobicContact CG-CD1 3.66Å; L24-I26 HydrophobicContact CG-CG1 3.95Å; L24-I26 PolarHBondContact O-N 3.06Å; I26-P246 HydrophobicContact CG2-CB 4.46Å; I26-P246 HydrophobicContact CG2-CG 3.39Å; I26-T248 HydrophobicContact CD1-CG2 3.76Å
27E77.5Confident66.1Low174 Ų17493.7 Ų93.781%0.81347%0.474SS*.PPolyproline II helixtrans-65.8139177.8-68.7-173.8170.900110.9
28P86.5Confident68.4Low52 Ų5293.2 Ų93.234%0.33848%0.476SS..PPolyproline II helixtrans-67148.2178.129.5-35.8000111.1K30 D316P28-K30 PolarHBondContact O-N 3.27Å; P28-D316 WeakPolarHBondContact CB-O 3.33Å
29V88.9Confident70.9Confident52 Ų5289.1 Ų89.132%0.31546%0.458SS..EExtended strand (participates in β ladder)trans-81.2119.7175.3174.90000108.5L243 S244 P246V29-L243 WeakPolarHBondContact O-CA 3.34Å; V29-S244 WeakPolarHBondContact CB-OG 3.37Å; V29-S244 PolarHBondContact N-O 2.69Å; V29-S244 PolarHBondContact O-N 2.85Å; V29-P246 HydrophobicContact CG2-CB 3.69Å; V29-P246 HydrophobicContact CG2-CG 4.38Å
30K90.8Very high73.6Confident91 Ų9184.8 Ų84.840%0.39643%0.433SS..EExtended strand (participates in β ladder)trans-97.2104.3175.6-176.6176.7-178.1169.90109.5P28 E141 Y241 L243P28-K30 PolarHBondContact O-N 3.27Å; K30-E141 IonicContact NZ-OE2 2.91Å; K30-E141 PolarHBondContact NZ-OE2 3.39Å; K30-Y241 HydrophobicContact CD-CD2 3.99Å; K30-Y241 HydrophobicContact CD-CE2 4.14Å; K30-Y241 HydrophobicContact CD-CG 4.19Å; K30-Y241 VanDerWaalsContact CE-CD2 3.48Å; K30-Y241 VanDerWaalsContact CE-CE1 3.41Å; K30-Y241 HydrophobicContact CG-CD2 3.6Å; K30-Y241 HydrophobicContact CG-CE2 4.13Å; K30-Y241 HydrophobicContact CG-CG 3.94Å; K30-L243 HydrophobicContact CB-CD2 4.15Å; K30-L243 HydrophobicContact CG-CD2 4.34Å
31T90.9Very high76.4Confident51 Ų5181.6 Ų81.631%0.31341%0.412SS..EExtended strand (participates in β ladder)trans-96.7115.7178.1-58.10000109.7Y241 H242T31-Y241 CarbonylContact O-C 3.43Å; T31-Y241 WeakPolarHBondContact O-CA 3.21Å; T31-Y241 VanDerWaalsContact O-CB 3.28Å; T31-Y241 WeakPolarHBondContact O-CB 3.46Å; T31-H242 VanDerWaalsContact CB-NE2 3.28Å; T31-H242 WeakPolarHBondContact CB-NE2 3.14Å; T31-H242 VanDerWaalsContact CG2-NE2 3.33Å; T31-H242 WeakPolarHBondContact CG2-NE2 3.46Å; T31-H242 PolarHBondContact N-O 2.89Å; T31-H242 PolarHBondContact O-N 2.91Å
32I91.2Very high78.9Confident88 Ų8881 Ų8145%0.45141%0.408SS..EExtended strand (participates in β ladder)trans-84.3125.1-176.1-59.8174.1000109.3E34 D35 I239I32-E34 WeakPolarHBondContact CG2-O 3.38Å; I32-D35 HydrophobicContact CG2-CB 3.89Å; I32-I239 HydrophobicContact CG2-CG2 4.35Å
33L90.9Very high81.1Confident46 Ų4673.4 Ų73.424%0.24139%0.387CS..EExtended strand (participates in β ladder)trans-86.7-40.2172.3-59.1175.1000111Y130 I135 V138 A240L33-Y130 HydrophobicContact CB-CD1 4.4Å; L33-I135 HydrophobicContact CD1-CD1 4.31Å; L33-I135 HydrophobicContact CD2-CD1 3.98Å; L33-V138 HydrophobicContact CD1-CG1 4.03Å; L33-V138 HydrophobicContact CD1-CG2 4.04Å; L33-A240 HydrophobicContact CB-CB 4.24Å; L33-A240 WeakPolarHBondContact CB-O 3.07Å; L33-A240 PolarHBondContact N-O 3.01Å
34E90.8Very high83.2Confident27 Ų2767.4 Ų67.413%0.12636%0.358CS..EExtended strand (participates in β ladder)trans-152.2139.8176.9-175.874.8178.900108.9I32 T36 S39 Y130 I239 A240I32-E34 WeakPolarHBondContact CG2-O 3.38Å; E34-T36 HydrophobicContact CG-CG2 4.31Å; E34-S39 VanDerWaalsContact CD-OG 3.27Å; E34-S39 WeakPolarHBondContact OE1-CB 3.37Å; E34-S39 PolarHBondContact OE1-OG 2.96Å; E34-Y130 HydrophobicContact CB-CE1 3.65Å; E34-Y130 HydrophobicContact CG-CE1 4.25Å; E34-I239 WeakPolarHBondContact O-CA 3.49Å; E34-A240 HydrophobicContact CB-CB 4.29Å; E34-A240 PolarHBondContact N-O 3.39Å; E34-A240 PolarHBondContact O-N 3.34Å
35D91.3Very high84.9Confident16 Ų1669.3 Ų69.39%0.08637%0.371CS..EExtended strand (participates in β ladder)trans-136.7105.1167.7-179.2-0.3000108.3I32 Y37 V38 S39 R237I32-D35 HydrophobicContact CG2-CB 3.89Å; D35-Y37 PolarHBondContact O-N 3.25Å; D35-Y37 VanDerWaalsContact O-N 3.1Å; D35-Y37 WeakPolarHBondContact OD1-CB 3.48Å; D35-Y37 PolarHBondContact OD1-N 3.32Å; D35-V38 HydrophobicContact CB-CG2 4.36Å; D35-V38 WeakPolarHBondContact O-CA 3.39Å; D35-V38 PolarHBondContact O-N 2.58Å; D35-S39 PolarHBondContact O-N 2.82Å; D35-S39 PolarHBondContact O-OG 3.32Å; D35-S39 VanDerWaalsContact O-OG 3.1Å; D35-R237 IonicContact OD1-CZ 3.96Å; D35-R237 IonicContact OD1-NE 3.96Å; D35-R237 PolarHBondContact OD1-NE 3.24Å; D35-R237 IonicContact OD1-NH2 2.76Å; D35-R237 IonicContact OD2-CZ 2.87Å; D35-R237 IonicContact OD2-NE 3.12Å; D35-R237 IonicContact OD2-NH2 3.03Å; D35-R237 PolarHBondContact OD2-NH2 3.36Å
36T89.6Confident86.3Confident5 Ų565.2 Ų65.23%0.03135%0.347CS..Hα-helixtrans-66.4-14.5-173.759.70000113.4E34 V38 S39 G40 W41 W44 L238E34-T36 HydrophobicContact CG-CG2 4.31Å; T36-V38 VanDerWaalsContact C-N 3.27Å; T36-S39 WeakPolarHBondContact CA-OG 3.47Å; T36-G40 WeakPolarHBondContact O-CA 3.43Å; T36-G40 PolarHBondContact O-N 3.07Å; T36-W41 HydrophobicContact CG2-CD2 4.2Å; T36-W41 HydrophobicContact CG2-CE3 4.25Å; T36-W41 HydrophobicContact CG2-CH2 4Å; T36-W41 HydrophobicContact CG2-CZ2 3.93Å; T36-W41 HydrophobicContact CG2-CZ3 4.15Å; T36-W41 WeakPolarHBondContact OG1-CZ2 3.49Å; T36-W44 HydrophobicContact CG2-CZ2 4.4Å; T36-L238 HydrophobicContact CG2-CB 3.96Å; T36-L238 HydrophobicContact CG2-CD2 4.4Å; T36-L238 PolarHBondContact N-O 2.99Å; T36-L238 PolarHBondContact OG1-N 3.26Å; T36-L238 PolarHBondContact OG1-O 2.96Å
37Y83.9Confident86.9Confident169 Ų16964.9 Ų64.966%0.66335%0.345SS*.Hα-helixtrans-67.5-31.6169.2-170.9-100.9000112D35D35-Y37 PolarHBondContact O-N 3.25Å; D35-Y37 VanDerWaalsContact O-N 3.1Å; D35-Y37 WeakPolarHBondContact OD1-CB 3.48Å; D35-Y37 PolarHBondContact OD1-N 3.32Å
38V84.9Confident86.5Confident119 Ų11958.5 Ų58.572%0.72133%0.327SS*.Hα-helixtrans-96.7-47.1-178.7-177.10000111.4D35 T36D35-V38 HydrophobicContact CB-CG2 4.36Å; D35-V38 WeakPolarHBondContact O-CA 3.39Å; D35-V38 PolarHBondContact O-N 2.58Å; T36-V38 VanDerWaalsContact C-N 3.27Å
39S84.4Confident85.6Confident51 Ų5161.8 Ų61.836%0.35734%0.341SS..Hα-helixtrans-79.2-20.4-177.858.80000113.4E34 D35 T36E34-S39 VanDerWaalsContact CD-OG 3.27Å; E34-S39 WeakPolarHBondContact OE1-CB 3.37Å; E34-S39 PolarHBondContact OE1-OG 2.96Å; D35-S39 PolarHBondContact O-N 2.82Å; D35-S39 PolarHBondContact O-OG 3.32Å; D35-S39 VanDerWaalsContact O-OG 3.1Å; T36-S39 WeakPolarHBondContact CA-OG 3.47Å
40G84.5Confident84.6Confident20 Ų2067.5 Ų67.521%0.20636%0.362CS..  trans68.4-162.2-166.600000111.9T36T36-G40 WeakPolarHBondContact O-CA 3.43Å; T36-G40 PolarHBondContact O-N 3.07Å
41W86.1Confident83.6Confident12 Ų1271.6 Ų71.65%0.04538%0.376CS..SBendtrans-112.215-178.1-62.583.3000112.9T36 W44 Y56 Y67 L125 I235 L238T36-W41 HydrophobicContact CG2-CD2 4.2Å; T36-W41 HydrophobicContact CG2-CE3 4.25Å; T36-W41 HydrophobicContact CG2-CH2 4Å; T36-W41 HydrophobicContact CG2-CZ2 3.93Å; T36-W41 HydrophobicContact CG2-CZ3 4.15Å; T36-W41 WeakPolarHBondContact OG1-CZ2 3.49Å; W41-W44 AromaticContact CE3-CD2 3.93Å; W41-W44 HydrophobicContact CE3-CD2 3.93Å; W41-W44 AromaticContact CE3-CG 3.99Å; W41-W44 HydrophobicContact CE3-CG 3.99Å; W41-W44 HydrophobicContact CZ3-CD2 4.02Å; W41-W44 AromaticContact CZ3-CE2 3.93Å; W41-W44 HydrophobicContact CZ3-CE3 4.29Å; W41-W44 HydrophobicContact CZ3-CH2 4.35Å; W41-W44 HydrophobicContact CZ3-CZ2 4.12Å; W41-W44 HydrophobicContact CZ3-CZ3 4.44Å; W41-W44 PolarHBondContact O-N 3.08Å; W41-Y56 HydrophobicContact CB-CE1 3.99Å; W41-Y56 WeakPolarHBondContact CB-OH 3.46Å; W41-Y56 AromaticContact CD1-CE1 3.81Å; W41-Y56 HydrophobicContact CG-CE1 4.23Å; W41-Y56 PolarHBondContact N-OH 3.2Å; W41-Y56 VanDerWaalsContact N-OH 3.12Å; W41-Y67 HydrophobicContact CB-CD1 4.38Å; W41-Y67 HydrophobicContact CB-CD2 3.88Å; W41-Y67 HydrophobicContact CB-CE2 4.04Å; W41-Y67 HydrophobicContact CB-CG 4.07Å; W41-Y67 AromaticContact CD2-CD1 3.89Å; W41-Y67 HydrophobicContact CD2-CD1 3.89Å; W41-Y67 HydrophobicContact CD2-CD2 4.41Å; W41-Y67 AromaticContact CD2-CG 3.74Å; W41-Y67 HydrophobicContact CD2-CG 3.74Å; W41-Y67 VanDerWaalsContact CE2-CB 3.47Å; W41-Y67 AromaticContact CE3-CD1 3.82Å; W41-Y67 HydrophobicContact CE3-CD1 3.82Å; W41-Y67 HydrophobicContact CE3-CE1 4.43Å; W41-Y67 HydrophobicContact CE3-CG 4.17Å; W41-Y67 HydrophobicContact CG-CD1 4.16Å; W41-Y67 AromaticContact CG-CD2 3.89Å; W41-Y67 HydrophobicContact CG-CD2 3.89Å; W41-Y67 AromaticContact CG-CG 3.69Å; W41-Y67 HydrophobicContact CG-CG 3.69Å; W41-Y67 HydrophobicContact CZ3-CD1 4.4Å; W41-L125 HydrophobicContact CE3-CD2 4.26Å; W41-L125 HydrophobicContact CZ3-CD2 4.07Å; W41-I235 HydrophobicContact CH2-CB 4.13Å; W41-I235 HydrophobicContact CH2-CD1 4.4Å; W41-I235 HydrophobicContact CH2-CG2 3.69Å; W41-I235 HydrophobicContact CZ2-CB 4.17Å; W41-I235 HydrophobicContact CZ2-CG2 3.78Å; W41-L238 HydrophobicContact CH2-CB 4.1Å; W41-L238 HydrophobicContact CH2-CD1 4.44Å
42N82.6Confident82.7Confident133 Ų13372.5 Ų72.571%0.71138%0.376SS*.THydrogen-bonded Turntrans-75.4-25.4-174.4-63.2-21.2000113.4W44 Y56N42-W44 VanDerWaalsContact C-N 3.26Å; N42-Y56 PolarHBondContact OD1-OH 3.33Å
43S84Confident82.2Confident56 Ų5668.3 Ų68.339%0.39235%0.354SS..THydrogen-bonded Turntrans-76.8-14.1175.752.80000113
44W88.3Confident82Confident15 Ų1566.2 Ų66.26%0.05734%0.343CS..  trans-85.9141.1-178.3-69.265.8000110.5T36 W41 N42 L125 F126 S127 F226 L238T36-W44 HydrophobicContact CG2-CZ2 4.4Å; W41-W44 AromaticContact CE3-CD2 3.93Å; W41-W44 HydrophobicContact CE3-CD2 3.93Å; W41-W44 AromaticContact CE3-CG 3.99Å; W41-W44 HydrophobicContact CE3-CG 3.99Å; W41-W44 HydrophobicContact CZ3-CD2 4.02Å; W41-W44 AromaticContact CZ3-CE2 3.93Å; W41-W44 HydrophobicContact CZ3-CE3 4.29Å; W41-W44 HydrophobicContact CZ3-CH2 4.35Å; W41-W44 HydrophobicContact CZ3-CZ2 4.12Å; W41-W44 HydrophobicContact CZ3-CZ3 4.44Å; W41-W44 PolarHBondContact O-N 3.08Å; N42-W44 VanDerWaalsContact C-N 3.26Å; W44-L125 HydrophobicContact CB-CD1 3.85Å; W44-L125 HydrophobicContact CE3-CD1 4.14Å; W44-L125 HydrophobicContact CE3-CD2 4.22Å; W44-L125 HydrophobicContact CE3-CG 3.71Å; W44-L125 HydrophobicContact CZ3-CG 4.29Å; W44-F126 CarbonylContact C-O 3.58Å; W44-F126 VanDerWaalsContact CA-O 3.3Å; W44-F126 WeakPolarHBondContact CA-O 3.45Å; W44-S127 VanDerWaalsContact CE3-N 3.27Å; W44-S127 VanDerWaalsContact CZ3-CB 3.47Å; W44-F226 HydrophobicContact CH2-CD2 4.33Å; W44-F226 AromaticContact CH2-CE2 3.68Å; W44-F226 HydrophobicContact CH2-CE2 3.68Å; W44-F226 AromaticContact CZ3-CD2 3.81Å; W44-F226 HydrophobicContact CZ3-CD2 3.81Å; W44-F226 AromaticContact CZ3-CE2 3.63Å; W44-F226 HydrophobicContact CZ3-CE2 3.63Å; W44-L238 HydrophobicContact CH2-CD1 3.7Å; W44-L238 HydrophobicContact CZ2-CD1 3.95Å; W44-L238 HydrophobicContact CZ2-CD2 4.1Å
45T87.2Confident81.8Confident80 Ų8069.4 Ų69.449%0.49135%0.354SS..EExtended strand (participates in β ladder)trans-108145.7178.3600000110.1L125 F126T45-L125 CarbonylContact O-C 3.46Å; T45-F126 PolarHBondContact N-O 2.71Å; T45-F126 PolarHBondContact O-N 3.03Å
46K86.5Confident81.5Confident62 Ų6273.6 Ų73.627%0.2737%0.369SS..EExtended strand (participates in β ladder)trans-128.8155.2179.464.1170.7-176162.30110.9D49 F52 W54 W124 L125K46-D49 PolarHBondContact NZ-O 3.12Å; K46-F52 PolarHBondContact NZ-O 3.47Å; K46-W54 HydrophobicContact CD-CB 4.2Å; K46-W54 VanDerWaalsContact CD-O 3.32Å; K46-W54 WeakPolarHBondContact CD-O 3.45Å; K46-W54 WeakPolarHBondContact CE-O 3.11Å; K46-W54 PolarHBondContact NZ-O 2.85Å; K46-W124 VanDerWaalsContact CA-O 3.26Å; K46-W124 WeakPolarHBondContact CA-O 3.2Å; K46-W124 WeakPolarHBondContact CB-O 3.49Å; K46-L125 HydrophobicContact CB-CD1 4.3Å
47N83.1Confident81.1Confident43 Ų4375.8 Ų75.823%0.2338%0.379CS..SBendtrans-88.2145.2165.974.5-22.3000110.3E122 F123 W124N47-E122 PolarHBondContact ND2-O 3Å; N47-F123 WeakPolarHBondContact OD1-CA 3.29Å; N47-W124 PolarHBondContact N-O 2.79Å; N47-W124 PolarHBondContact OD1-N 3.02Å; N47-W124 PolarHBondContact OD1-O 2.92Å
48G70.7Confident80.6Confident41 Ų4172.1 Ų72.142%0.42338%0.378SS..SBendtrans96.2168.2179.500000115.1
49D67.4Low79.7Confident120 Ų12067 Ų6764%0.64235%0.347SS*.  trans-67.5164.1-173.4-83.5-35.5000113.8K46 Y51 F52K46-D49 PolarHBondContact NZ-O 3.12Å; D49-Y51 PolarHBondContact O-N 2.71Å; D49-F52 HydrophobicContact CB-CD2 4.5Å; D49-F52 PolarHBondContact O-N 3.2Å
50K68.4Low78.8Confident173 Ų17369.2 Ų69.275%0.75237%0.368SS*.THydrogen-bonded Turntrans-53.3-32.5178.1-169.4174.8-179.4178.50113.1
51Y68.5Low77.8Confident177 Ų17772.5 Ų72.569%0.69440%0.402SS*.THydrogen-bonded Turntrans-90.5-18.8-174.4-59.7-74.6000114.8D49 R55D49-Y51 PolarHBondContact O-N 2.71Å; Y51-R55 PolarHBondContact O-NH1 3.05Å
52F71.8Confident76.7Confident70 Ų7074.5 Ų74.531%0.30742%0.416SS..SBendtrans-116149.9-174.7-66.9-79.3000111.8K46 D49 L76K46-F52 PolarHBondContact NZ-O 3.47Å; D49-F52 HydrophobicContact CB-CD2 4.5Å; D49-F52 PolarHBondContact O-N 3.2Å; F52-L76 HydrophobicContact CD1-CD1 4.11Å; F52-L76 HydrophobicContact CE1-CD1 3.82Å; F52-L76 HydrophobicContact CE1-CD2 3.87Å; F52-L76 HydrophobicContact CE1-CG 4.02Å; F52-L76 HydrophobicContact CE2-CD2 4.43Å; F52-L76 HydrophobicContact CZ-CD1 4.31Å; F52-L76 HydrophobicContact CZ-CD2 3.64Å; F52-L76 HydrophobicContact CZ-CG 4.31Å
53G81.1Confident75.9Confident0 Ų071.2 Ų71.20%041%0.414CS..SBendtrans78.8-142.5-18000000113.9R55G53-R55 PolarHBondContact O-N 2.75Å
54W86.8Confident75.2Confident1 Ų171 Ų710%0.00441%0.407CS..SBendtrans-60.9127.9-177.2-66.494.2000112.6K46 Y67 I69 F123 L125 L165 F226 D228 I235K46-W54 HydrophobicContact CD-CB 4.2Å; K46-W54 VanDerWaalsContact CD-O 3.32Å; K46-W54 WeakPolarHBondContact CD-O 3.45Å; K46-W54 WeakPolarHBondContact CE-O 3.11Å; K46-W54 PolarHBondContact NZ-O 2.85Å; W54-Y67 HydrophobicContact CB-CE1 3.73Å; W54-Y67 HydrophobicContact CE3-CD1 4.08Å; W54-Y67 HydrophobicContact CE3-CE1 4.35Å; W54-I69 HydrophobicContact CD2-CB 4.04Å; W54-I69 HydrophobicContact CD2-CG2 4.09Å; W54-I69 HydrophobicContact CE3-CB 4.17Å; W54-I69 HydrophobicContact CE3-CG2 4.12Å; W54-I69 HydrophobicContact CG-CB 4.43Å; W54-I69 HydrophobicContact CG-CD1 4.47Å; W54-I69 HydrophobicContact CH2-CG2 3.88Å; W54-I69 HydrophobicContact CZ2-CG2 3.82Å; W54-I69 HydrophobicContact CZ3-CG2 4.02Å; W54-F123 PolarHBondContact NE1-O 2.87Å; W54-F123 VanDerWaalsContact NE1-O 3.1Å; W54-L125 HydrophobicContact CD2-CB 3.87Å; W54-L125 HydrophobicContact CD2-CD2 3.75Å; W54-L125 HydrophobicContact CD2-CG 4.36Å; W54-L125 HydrophobicContact CE3-CD2 3.63Å; W54-L125 HydrophobicContact CG-CB 3.87Å; W54-L125 HydrophobicContact CG-CD2 4.2Å; W54-L125 HydrophobicContact CG-CG 4.43Å; W54-L125 HydrophobicContact CZ2-CB 4.38Å; W54-L125 HydrophobicContact CZ3-CD2 4.03Å; W54-L165 HydrophobicContact CH2-CD1 3.96Å; W54-L165 HydrophobicContact CH2-CD2 4.04Å; W54-L165 HydrophobicContact CZ2-CD1 3.79Å; W54-F226 HydrophobicContact CH2-CB 4.11Å; W54-F226 HydrophobicContact CZ2-CB 3.76Å; W54-D228 HydrophobicContact CZ2-CB 4.15Å; W54-I235 HydrophobicContact CH2-CD1 4Å; W54-I235 HydrophobicContact CZ3-CD1 3.84Å; W54-I235 HydrophobicContact CZ3-CG1 4.36Å
55R85.9Confident74.5Confident94 Ų9476.2 Ų76.236%0.35543%0.434SS..EExtended strand (participates in β ladder)trans-153.3161178.259.8-176.9175.3-125.4-13.4112.3Y51 G53 Q57 G68 E71Y51-R55 PolarHBondContact O-NH1 3.05Å; G53-R55 PolarHBondContact O-N 2.75Å; R55-Q57 HydrophobicContact CG-CG 4.34Å; R55-G68 PolarHBondContact N-O 2.8Å; R55-G68 PolarHBondContact O-N 3.15Å; R55-G68 VanDerWaalsContact O-O 3.11Å; R55-E71 IonicContact CZ-OE1 3.42Å; R55-E71 IonicContact NH1-OE1 2.85Å; R55-E71 PolarHBondContact NH1-OE1 3.01Å; R55-E71 IonicContact NH2-OE1 3.33Å; R55-E71 PolarHBondContact NH2-OE1 2.66Å
56Y85.7Confident74.3Confident104 Ų10472.4 Ų72.441%0.40841%0.411SS..EExtended strand (participates in β ladder)trans-62.4135.2167.9-69.1-73000110.3W41 N42 I65 V66 Y67W41-Y56 HydrophobicContact CB-CE1 3.99Å; W41-Y56 WeakPolarHBondContact CB-OH 3.46Å; W41-Y56 AromaticContact CD1-CE1 3.81Å; W41-Y56 HydrophobicContact CG-CE1 4.23Å; W41-Y56 PolarHBondContact N-OH 3.2Å; W41-Y56 VanDerWaalsContact N-OH 3.12Å; N42-Y56 PolarHBondContact OD1-OH 3.33Å; Y56-I65 HydrophobicContact CD1-CG2 3.46Å; Y56-I65 VanDerWaalsContact CD1-CG2 3.46Å; Y56-I65 HydrophobicContact CE1-CG2 4.31Å; Y56-I65 HydrophobicContact CG-CG2 4Å; Y56-V66 CarbonylContact C-O 3.53Å; Y56-V66 WeakPolarHBondContact CA-O 3.31Å; Y56-Y67 AromaticContact CD1-CD2 3.58Å; Y56-Y67 HydrophobicContact CD1-CD2 3.58Å; Y56-Y67 HydrophobicContact CD1-CE2 4.12Å; Y56-Y67 HydrophobicContact CD2-CD2 4.24Å; Y56-Y67 AromaticContact CD2-CE2 3.94Å; Y56-Y67 HydrophobicContact CD2-CE2 3.94Å; Y56-Y67 AromaticContact CE1-CD2 3.84Å; Y56-Y67 HydrophobicContact CE1-CD2 3.84Å; Y56-Y67 HydrophobicContact CE1-CE2 4.26Å; Y56-Y67 HydrophobicContact CE2-CD2 4.44Å; Y56-Y67 HydrophobicContact CE2-CE2 4.07Å; Y56-Y67 AromaticContact CG-CD2 3.83Å; Y56-Y67 HydrophobicContact CG-CD2 3.83Å; Y56-Y67 AromaticContact CG-CE2 3.99Å; Y56-Y67 HydrophobicContact CG-CE2 3.99Å
57Q80.4Confident74.3Confident51 Ų5170.2 Ų70.224%0.23840%0.401CS..EExtended strand (participates in β ladder)trans-134153.3177.3-58.7-172.236.300108.9R55 I65 V66 G68 L234R55-Q57 HydrophobicContact CG-CG 4.34Å; Q57-I65 CarbonylContact O-C 3.48Å; Q57-I65 WeakPolarHBondContact O-CA 2.78Å; Q57-V66 HydrophobicContact CB-CG2 4.26Å; Q57-V66 PolarHBondContact N-O 3.03Å; Q57-V66 WeakPolarHBondContact O-CG2 2.97Å; Q57-V66 PolarHBondContact O-N 3.44Å; Q57-V66 VanDerWaalsContact O-O 3.09Å; Q57-G68 PolarHBondContact NE2-O 3.01Å; Q57-L234 HydrophobicContact CB-CD2 4.21Å; Q57-L234 HydrophobicContact CG-CD2 4.37Å; Q57-L234 VanDerWaalsContact OE1-CD2 3.3Å
58S73.6Confident74.5Confident92 Ų9268.1 Ų68.164%0.64339%0.39SS*.EExtended strand (participates in β ladder)trans-91.8129.7172.958.40000110.2A60 Q64S58-A60 PolarHBondContact O-N 3.3Å; S58-Q64 WeakPolarHBondContact CA-O 3.38Å
59L67.9Low75.2Confident13 Ų1366.2 Ų66.27%0.06837%0.37CS..PPolyproline II helixtrans-68.7124.4169.5-166.778.5000108.9G61 T62 Q64 V66 I203 L234L59-G61 PolarHBondContact O-N 2.77Å; L59-T62 WeakPolarHBondContact CB-OG1 3.33Å; L59-T62 HydrophobicContact CD2-CG2 3.9Å; L59-T62 PolarHBondContact O-N 3.43Å; L59-T62 PolarHBondContact O-OG1 3.01Å; L59-Q64 PolarHBondContact N-O 3Å; L59-V66 HydrophobicContact CB-CG1 4.18Å; L59-V66 HydrophobicContact CB-CG2 4.43Å; L59-I203 HydrophobicContact CD2-CD1 4.22Å; L59-L234 HydrophobicContact CD1-CD1 4.27Å
60A63.9Low75.9Confident97 Ų9762.7 Ų62.780%0.80235%0.354SS*.THydrogen-bonded Turntrans-60.5123.6-173.200000111.1S58S58-A60 PolarHBondContact O-N 3.3Å
61G63.1Low76.1Confident89 Ų8956 Ų5692%0.91833%0.325SS*.THydrogen-bonded Turntrans87.6-11.1176.300000116.2L59L59-G61 PolarHBondContact O-N 2.77Å
62T64.9Low75.8Confident53 Ų5353.1 Ų53.133%0.32532%0.317SS..THydrogen-bonded Turntrans-107.3-21.5179.670.20000113.8L59 Q64 I203L59-T62 WeakPolarHBondContact CB-OG1 3.33Å; L59-T62 HydrophobicContact CD2-CG2 3.9Å; L59-T62 PolarHBondContact O-N 3.43Å; L59-T62 PolarHBondContact O-OG1 3.01Å; T62-Q64 PolarHBondContact O-N 3.43Å; T62-Q64 WeakPolarHBondContact OG1-CB 3.43Å; T62-Q64 PolarHBondContact OG1-N 2.95Å; T62-I203 HydrophobicContact CG2-CG1 4.23Å
63G65Low75.1Confident65 Ų6554.4 Ų54.467%0.6732%0.322SS*.  trans70.52.2-172.700000114
64Q68.8Low73.6Confident52 Ų5259.2 Ų59.224%0.24335%0.348CS..  trans-72.7135.8176.2-69.1175.4-28.200110.4S58 L59 T62S58-Q64 WeakPolarHBondContact CA-O 3.38Å; L59-Q64 PolarHBondContact N-O 3Å; T62-Q64 PolarHBondContact O-N 3.43Å; T62-Q64 WeakPolarHBondContact OG1-CB 3.43Å; T62-Q64 PolarHBondContact OG1-N 2.95Å
65I74.4Confident71.8Confident123 Ų12361.9 Ų61.963%0.63137%0.367SS*.EExtended strand (participates in β ladder)trans-87.7117.4177.1-55.4176.1000107.7Y56 Q57Y56-I65 HydrophobicContact CD1-CG2 3.46Å; Y56-I65 VanDerWaalsContact CD1-CG2 3.46Å; Y56-I65 HydrophobicContact CE1-CG2 4.31Å; Y56-I65 HydrophobicContact CG-CG2 4Å; Q57-I65 CarbonylContact O-C 3.48Å; Q57-I65 WeakPolarHBondContact O-CA 2.78Å
66V81.8Confident69.8Low1 Ų159 Ų591%0.00636%0.358CS..EExtended strand (participates in β ladder)trans-113163.7176.8-630000109.8Y56 Q57 L59 L234 D236Y56-V66 CarbonylContact C-O 3.53Å; Y56-V66 WeakPolarHBondContact CA-O 3.31Å; Q57-V66 HydrophobicContact CB-CG2 4.26Å; Q57-V66 PolarHBondContact N-O 3.03Å; Q57-V66 WeakPolarHBondContact O-CG2 2.97Å; Q57-V66 PolarHBondContact O-N 3.44Å; Q57-V66 VanDerWaalsContact O-O 3.09Å; L59-V66 HydrophobicContact CB-CG1 4.18Å; L59-V66 HydrophobicContact CB-CG2 4.43Å; V66-L234 HydrophobicContact CG2-CB 4.34Å; V66-L234 HydrophobicContact CG2-CD1 4.45Å; V66-L234 HydrophobicContact CG2-CD2 4.21Å; V66-D236 HydrophobicContact CG1-CB 4.28Å
67Y86.3Confident67.9Low15 Ų1558.4 Ų58.46%0.05937%0.365CS..EExtended strand (participates in β ladder)trans-112.1127.1179.5-152.3-111.4000110.1W41 W54 Y56 L125 I235W41-Y67 HydrophobicContact CB-CD1 4.38Å; W41-Y67 HydrophobicContact CB-CD2 3.88Å; W41-Y67 HydrophobicContact CB-CE2 4.04Å; W41-Y67 HydrophobicContact CB-CG 4.07Å; W41-Y67 AromaticContact CD2-CD1 3.89Å; W41-Y67 HydrophobicContact CD2-CD1 3.89Å; W41-Y67 HydrophobicContact CD2-CD2 4.41Å; W41-Y67 AromaticContact CD2-CG 3.74Å; W41-Y67 HydrophobicContact CD2-CG 3.74Å; W41-Y67 VanDerWaalsContact CE2-CB 3.47Å; W41-Y67 AromaticContact CE3-CD1 3.82Å; W41-Y67 HydrophobicContact CE3-CD1 3.82Å; W41-Y67 HydrophobicContact CE3-CE1 4.43Å; W41-Y67 HydrophobicContact CE3-CG 4.17Å; W41-Y67 HydrophobicContact CG-CD1 4.16Å; W41-Y67 AromaticContact CG-CD2 3.89Å; W41-Y67 HydrophobicContact CG-CD2 3.89Å; W41-Y67 AromaticContact CG-CG 3.69Å; W41-Y67 HydrophobicContact CG-CG 3.69Å; W41-Y67 HydrophobicContact CZ3-CD1 4.4Å; W54-Y67 HydrophobicContact CB-CE1 3.73Å; W54-Y67 HydrophobicContact CE3-CD1 4.08Å; W54-Y67 HydrophobicContact CE3-CE1 4.35Å; Y56-Y67 AromaticContact CD1-CD2 3.58Å; Y56-Y67 HydrophobicContact CD1-CD2 3.58Å; Y56-Y67 HydrophobicContact CD1-CE2 4.12Å; Y56-Y67 HydrophobicContact CD2-CD2 4.24Å; Y56-Y67 AromaticContact CD2-CE2 3.94Å; Y56-Y67 HydrophobicContact CD2-CE2 3.94Å; Y56-Y67 AromaticContact CE1-CD2 3.84Å; Y56-Y67 HydrophobicContact CE1-CD2 3.84Å; Y56-Y67 HydrophobicContact CE1-CE2 4.26Å; Y56-Y67 HydrophobicContact CE2-CD2 4.44Å; Y56-Y67 HydrophobicContact CE2-CE2 4.07Å; Y56-Y67 AromaticContact CG-CD2 3.83Å; Y56-Y67 HydrophobicContact CG-CD2 3.83Å; Y56-Y67 AromaticContact CG-CE2 3.99Å; Y56-Y67 HydrophobicContact CG-CE2 3.99Å; Y67-L125 HydrophobicContact CD1-CD2 3.68Å; Y67-L125 HydrophobicContact CE1-CD1 3.72Å; Y67-L125 HydrophobicContact CE1-CD2 3.63Å; Y67-L125 HydrophobicContact CE1-CG 4.34Å; Y67-I235 PolarHBondContact N-O 3.04Å; Y67-I235 PolarHBondContact O-N 2.96Å
68G87.3Confident65.9Low0 Ų062.7 Ų62.70%039%0.385CS..EExtended strand (participates in β ladder)trans-162.9172.7-173.500000115.2R55 Q57 V233R55-G68 PolarHBondContact N-O 2.8Å; R55-G68 PolarHBondContact O-N 3.15Å; R55-G68 VanDerWaalsContact O-O 3.11Å; Q57-G68 PolarHBondContact NE2-O 3.01Å; G68-V233 CarbonylContact C-O 3.53Å; G68-V233 WeakPolarHBondContact CA-O 3.02Å
69I85.7Confident64.5Low1 Ų161 Ų611%0.00537%0.373CS..EExtended strand (participates in β ladder)trans-136137.7-179.3-172.5165.8000109.3W54 E71 F123 D228 C232 V233W54-I69 HydrophobicContact CD2-CB 4.04Å; W54-I69 HydrophobicContact CD2-CG2 4.09Å; W54-I69 HydrophobicContact CE3-CB 4.17Å; W54-I69 HydrophobicContact CE3-CG2 4.12Å; W54-I69 HydrophobicContact CG-CB 4.43Å; W54-I69 HydrophobicContact CG-CD1 4.47Å; W54-I69 HydrophobicContact CH2-CG2 3.88Å; W54-I69 HydrophobicContact CZ2-CG2 3.82Å; W54-I69 HydrophobicContact CZ3-CG2 4.02Å; I69-E71 HydrophobicContact CG1-CB 4.46Å; I69-E71 HydrophobicContact CG1-CG 4.25Å; I69-F123 HydrophobicContact CD1-CB 3.33Å; I69-F123 HydrophobicContact CD1-CD1 4.31Å; I69-F123 HydrophobicContact CD1-CD2 3.64Å; I69-F123 HydrophobicContact CD1-CG 3.51Å; I69-D228 HydrophobicContact CD1-CB 4.16Å; I69-D228 HydrophobicContact CG2-CB 3.98Å; I69-C232 CarbonylContact O-C 3.53Å; I69-C232 WeakPolarHBondContact O-CA 3.36Å; I69-V233 PolarHBondContact N-O 2.93Å; I69-V233 PolarHBondContact O-N 3.34Å
70C81.9Confident63.1Low46 Ų4666.1 Ų66.131%0.31140%0.396SS..  trans-15657.7175.5-164.30000108.3C232C70-C232 HydrophobicContact CB-CB 3.94Å; C70-C232 WeakPolarHBondContact CB-SG 3.45Å; C70-C232 WeakPolarHBondContact SG-CB 3.41Å; C70-C232 CovalentContact SG-SG 2.04Å; C70-C232 PolarHBondContact SG-SG 2.81Å
71E72.4Confident62Low31 Ų3165.8 Ų65.815%0.14538%0.38CS..  trans-95142.4-175.6-72-61.316200111.7R55 I69 F123R55-E71 IonicContact CZ-OE1 3.42Å; R55-E71 IonicContact NH1-OE1 2.85Å; R55-E71 PolarHBondContact NH1-OE1 3.01Å; R55-E71 IonicContact NH2-OE1 3.33Å; R55-E71 PolarHBondContact NH2-OE1 2.66Å; I69-E71 HydrophobicContact CG1-CB 4.46Å; I69-E71 HydrophobicContact CG1-CG 4.25Å; E71-F123 HydrophobicContact CB-CE2 4.21Å; E71-F123 HydrophobicContact CB-CZ 4.45Å
72K62.4Low60.9Low118 Ų11868.4 Ų68.451%0.51337%0.368SS..  trans-102.7122.7179.5-57.6-171-179.4-174.10109.1N74 S75 Y154K72-N74 PolarHBondContact O-N 3.35Å; K72-S75 PolarHBondContact O-N 2.98Å; K72-Y154 VanDerWaalsContact CD-OH 3.24Å; K72-Y154 WeakPolarHBondContact CD-OH 3.21Å; K72-Y154 WeakPolarHBondContact CE-OH 3.29Å; K72-Y154 WeakPolarHBondContact CG-OH 3.33Å
73K57.1Low59.7Low97 Ų9771.8 Ų71.842%0.42238%0.38SS..THydrogen-bonded Turntrans-50.8-30.1176.9-82.1-170.7177.3-173.90114E160K73-E160 HydrophobicContact CD-CB 4.44Å; K73-E160 WeakPolarHBondContact CD-OE2 3.47Å; K73-E160 WeakPolarHBondContact CE-OE2 3.27Å; K73-E160 IonicContact NZ-OE2 2.73Å; K73-E160 PolarHBondContact NZ-OE2 2.79Å
74N51.2Low58.5Low101 Ų10173.7 Ų73.754%0.5438%0.379SS..THydrogen-bonded Turntrans-95.8-2.5-174-79.6-3.8000116.9K72 L76K72-N74 PolarHBondContact O-N 3.35Å; N74-L76 VanDerWaalsContact C-N 3.25Å; N74-L76 PolarHBondContact O-N 3.04Å
75S48.1Very low57.1Low57 Ų5779.6 Ų79.640%0.39940%0.404SS..Hα-helixtrans-71.8-20.9-177.586.30000113.5K72 S79K72-S75 PolarHBondContact O-N 2.98Å; S75-S79 PolarHBondContact O-OG 3.22Å
76L44.4Very low55.3Low32 Ų3281.5 Ų81.517%0.16841%0.41CS..Hα-helixtrans-84-24.2-175-82158.5000114.3F52 N74 I119F52-L76 HydrophobicContact CD1-CD1 4.11Å; F52-L76 HydrophobicContact CE1-CD1 3.82Å; F52-L76 HydrophobicContact CE1-CD2 3.87Å; F52-L76 HydrophobicContact CE1-CG 4.02Å; F52-L76 HydrophobicContact CE2-CD2 4.43Å; F52-L76 HydrophobicContact CZ-CD1 4.31Å; F52-L76 HydrophobicContact CZ-CD2 3.64Å; F52-L76 HydrophobicContact CZ-CG 4.31Å; N74-L76 VanDerWaalsContact C-N 3.25Å; N74-L76 PolarHBondContact O-N 3.04Å; L76-I119 HydrophobicContact CB-CD1 4.07Å; L76-I119 HydrophobicContact CD1-CD1 3.78Å; L76-I119 HydrophobicContact CD1-CG1 4.19Å; L76-I119 HydrophobicContact CD1-CG2 3.99Å; L76-I119 HydrophobicContact CG-CD1 4.34Å
77V45.3Very low53.2Low92 Ų9288 Ų8856%0.55844%0.443SS*.Hα-helixtrans-77.2-31.1177.9-176.80000111.3I81V77-I81 HydrophobicContact CG1-CD1 4.15Å; V77-I81 WeakPolarHBondContact O-CD1 3.39Å; V77-I81 WeakPolarHBondContact O-CG1 3.33Å
78H38.8Very low50.9Low142 Ų14295.9 Ų95.966%0.65748%0.481SS*.Hα-helixtrans-85.1-30.4-176.3-93.8-46.1000115.3
79S43.4Very low48.3Very low56 Ų56103 Ų10339%0.39252%0.519SS..Hα-helixtrans-75.5-35.2-179.9520000113S75 I81 Q82 Q83S75-S79 PolarHBondContact O-OG 3.22Å; S79-I81 PolarHBondContact O-N 2.91Å; S79-Q82 PolarHBondContact O-N 3.47Å; S79-Q83 PolarHBondContact O-N 3.26Å
80H37.9Very low45.7Very low121 Ų121112 Ų11256%0.5656%0.561SS**Hα-helixtrans-71.8-26.8177-89.5-44.1000114.1T84H80-T84 PolarHBondContact O-N 2.95Å; H80-T84 PolarHBondContact O-OG1 2.85Å
81I42Very low43.2Very low89 Ų89115 Ų11546%0.45658%0.583SS.*Hα-helixtrans-76.6-24.8176.7-65.3174.3000111.8V77 S79V77-I81 HydrophobicContact CG1-CD1 4.15Å; V77-I81 WeakPolarHBondContact O-CD1 3.39Å; V77-I81 WeakPolarHBondContact O-CG1 3.33Å; S79-I81 PolarHBondContact O-N 2.91Å
82Q40.1Very low41.1Very low145 Ų145120.9 Ų120.968%0.67861%0.613SS**Hα-helixtrans-81.9-39.7175.3-77.9-176.4-29.300112.6S79 T84 K85S79-Q82 PolarHBondContact O-N 3.47Å; Q82-T84 VanDerWaalsContact C-N 3.32Å; Q82-T84 PolarHBondContact O-N 2.67Å; Q82-K85 PolarHBondContact O-N 2.88Å
83Q38.2Very low39.4Very low123 Ų123122.9 Ų122.958%0.57563%0.629SS**Hα-helixtrans-68.5-29.4178.2-77.4-175.3-19.700113.6S79 K85 I87S79-Q83 PolarHBondContact O-N 3.26Å; Q83-K85 VanDerWaalsContact C-N 3.26Å; Q83-K85 PolarHBondContact O-N 2.61Å; Q83-I87 WeakPolarHBondContact O-CD1 3.25Å; Q83-I87 WeakPolarHBondContact O-CG1 3.45Å
84T40.5Very low38Very low106 Ų106123.4 Ų123.465%0.6565%0.645SS**Hα-helixtrans-74.7-13175.938.70000113.9H80 Q82H80-T84 PolarHBondContact O-N 2.95Å; H80-T84 PolarHBondContact O-OG1 2.85Å; Q82-T84 VanDerWaalsContact C-N 3.32Å; Q82-T84 PolarHBondContact O-N 2.67Å
85K40.4Very low36.8Very low176 Ų176127.2 Ų127.277%0.76566%0.66SS**Hα-helixtrans-91.8-19.1173.9-77.8-171.4175.4-176.80114.5Q82 Q83Q82-K85 PolarHBondContact O-N 2.88Å; Q83-K85 VanDerWaalsContact C-N 3.26Å; Q83-K85 PolarHBondContact O-N 2.61Å
86E36.4Very low35.8Very low163 Ų163130 Ų13076%0.76267%0.674SS**Hα-helixtrans-96.5-17.6-179.9-75.2-174.8160.300114.4Q88E86-Q88 VanDerWaalsContact C-N 3.28Å; E86-Q88 PolarHBondContact O-N 2.94Å
87I36.6Very low34.8Very low136 Ų136139 Ų13970%0.69771%0.706SS**THydrogen-bonded Turntrans-77.6-6.7-174.8-67.5170.9000113.8Q83 N89Q83-I87 WeakPolarHBondContact O-CD1 3.25Å; Q83-I87 WeakPolarHBondContact O-CG1 3.45Å; I87-N89 PolarHBondContact O-N 2.98Å
88Q38.2Very low34Very low182 Ų182143.5 Ų143.585%0.8573%0.726SS**THydrogen-bonded Turntrans-80.5-4175.2-81.9-143.7-35.900116.1E86E86-Q88 VanDerWaalsContact C-N 3.28Å; E86-Q88 PolarHBondContact O-N 2.94Å
89N32.2Very low33.4Very low148 Ų148141.7 Ų141.779%0.79173%0.729SS**SBendtrans-126.53.3-170.6-96.1-7.8000119.8I87I87-N89 PolarHBondContact O-N 2.98Å
90Q31.4Very low32.6Very low191 Ų191144.2 Ų144.289%0.89375%0.747SS**  trans-14178.6178.6-69-175-13.400113
91S29.6Very low32.1Very low110 Ų110146.5 Ų146.577%0.76976%0.762SS**  trans-109122154.362.90000107
92I28.1Very low31.5Very low153 Ų153147.5 Ų147.579%0.78578%0.777SS**  trans169.1111.3151.9-86.7157.4000108.7
93L26.5Very low30.9Very low160 Ų160145.3 Ų145.384%0.83878%0.784SS**  trans97.9132.2144.6-72.4163.5000123.5
94S28.3Very low30.4Very low109 Ų109144.5 Ų144.576%0.76280%0.798SS**  trans78.399.4167.165.90000116.1
95E25.4Very low29.8Very low181 Ų181144.3 Ų144.385%0.84681%0.807SS**  cis53.3102.240.6-84-168.4-176.800115.1
96T27.7Very low29Very low115 Ų115145.1 Ų145.171%0.70682%0.816SS**  177.4130.1104.929.40000113.9
97R24.6Very low28.6Very low222 Ų222142 Ų14284%0.83882%0.818SS**  trans66.5110.3140-61.9177.3-167.1-169.64.3120.3
98L26.8Very low28.1Very low186 Ų186141.6 Ų141.697%0.97483%0.828SS**  -152.6120.6123-112132.5000110.8
99S26.8Very low27.5Very low103 Ų103137.7 Ų137.772%0.7282%0.82SS**  trans-114.2129-176.251.60000109.8
100S27.2Very low27.3Very low110 Ų110137.3 Ų137.377%0.76982%0.823SS**  trans162.1120.9131.749.10000111.3
101L27.2Very low27Very low169 Ų169136 Ų13689%0.88582%0.822SS**  167.1110.5128-89.7149000110.4
102S29.9Very low26.9Very low110 Ų110135.1 Ų135.177%0.76982%0.816SS**  trans-59.8157.2158.551.90000110.9
103A26.9Very low26.9Very low98 Ų98134.2 Ų134.281%0.8182%0.817SS**  cis-165.9170.834.800000111.4
104A27.3Very low27.2Very low106 Ų106134.8 Ų134.888%0.87682%0.82SS**  trans91.163166.900000117.6
105A27.6Very low27.4Very low102 Ų102136 Ų13684%0.84382%0.818SS**  trans-81.8117.1154.500000110.2
106M25.1Very low27.9Very low193 Ų193133 Ų13395%0.95182%0.817SS**  trans-14695.9153.7-85.2-154.8-84.600108.4
107A27.8Very low28.6Very low97 Ų97130.4 Ų130.480%0.80281%0.813SS**  trans177.285.8145.800000107.9S109A107-S109 PolarHBondContact O-N 2.87Å
108S25.1Very low29.8Very low129 Ų129127.8 Ų127.890%0.90282%0.816SS**  trans-70.6111.7165.2-570000109
109S26.8Very low31.2Very low99 Ų99123.5 Ų123.569%0.69279%0.793SS**  trans-161.7106.6145.956.90000111A107A107-S109 PolarHBondContact O-N 2.87Å
110T26.7Very low33Very low140 Ų140120.6 Ų120.686%0.85977%0.771SS**  trans62.790.5144.359.40000117.7
111L24.9Very low34.9Very low165 Ų165120.3 Ų120.386%0.86477%0.765SS**  trans-82.9143.7155.4-170.571.3000109.9
112S27.6Very low37.4Very low91 Ų91115.3 Ų115.364%0.63674%0.737SS**  trans70.994.5152.562.50000119.9
113T29.2Very low40.1Very low133 Ų133111.2 Ų111.282%0.81671%0.706SS**  -115.6109.8106.749.80000107.2D115T113-D115 VanDerWaalsContact C-N 3.32Å; T113-D115 PolarHBondContact O-N 2.84Å
114L31.5Very low43Very low172 Ų172107 Ų10790%0.90167%0.669SS**  trans-7486.2-178.2-16580.6000107.9S116L114-S116 PolarHBondContact O-N 3.45Å
115D33.3Very low46Very low136 Ų136102 Ų10273%0.72763%0.627SS**  trans-54130.2168.8-87.3-28.7000108.4T113 G117T113-D115 VanDerWaalsContact C-N 3.32Å; T113-D115 PolarHBondContact O-N 2.84Å; D115-G117 WeakPolarHBondContact O-CA 3.44Å; D115-G117 PolarHBondContact O-N 3.39Å
116S35.1Very low49Very low118 Ų11898.3 Ų98.383%0.82559%0.592SS**  trans-42.8100.6170.145.80000109.4L114 N118L114-S116 PolarHBondContact O-N 3.45Å; S116-N118 PolarHBondContact O-N 2.88Å
117G42.3Very low52.1Low60 Ų6089.2 Ų89.262%0.61955%0.548SS*.  trans-54.1126-163.800000111.5D115 I119D115-G117 WeakPolarHBondContact O-CA 3.44Å; D115-G117 PolarHBondContact O-N 3.39Å; G117-I119 VanDerWaalsContact C-N 3.28Å; G117-I119 PolarHBondContact O-N 2.8Å
118N50.6Low55Low166 Ų16686.3 Ų86.389%0.88852%0.521SS*.  trans-61.980.3-178.4-14814.7000110S116 P120S116-N118 PolarHBondContact O-N 2.88Å; N118-P120 WeakPolarHBondContact O-CD 3.18Å; N118-P120 VanDerWaalsContact O-N 3.16Å
119I57Low58.1Low97 Ų9782 Ų8250%0.49749%0.487SS..  trans-61.8118.3177.1-62.7154000106.9L76 G117 T121L76-I119 HydrophobicContact CB-CD1 4.07Å; L76-I119 HydrophobicContact CD1-CD1 3.78Å; L76-I119 HydrophobicContact CD1-CG1 4.19Å; L76-I119 HydrophobicContact CD1-CG2 3.99Å; L76-I119 HydrophobicContact CG-CD1 4.34Å; G117-I119 VanDerWaalsContact C-N 3.28Å; G117-I119 PolarHBondContact O-N 2.8Å; I119-T121 PolarHBondContact O-N 2.89Å
120P62.9Low61.1Low41 Ų4177.7 Ų77.727%0.26646%0.456SS..  trans-63.5132.8-177.124.8-32.2000110N118 E122 F123N118-P120 WeakPolarHBondContact O-CD 3.18Å; N118-P120 VanDerWaalsContact O-N 3.16Å; P120-E122 PolarHBondContact O-N 2.79Å; P120-F123 HydrophobicContact CG-CD1 4.45Å; P120-F123 HydrophobicContact CG-CE1 4.15Å
121T67.8Low64Low105 Ų10576.5 Ų76.564%0.64444%0.439SS*.SBendtrans-73.5-19.3177.750.50000113.2I119I119-T121 PolarHBondContact O-N 2.89Å
122E80.1Confident67.1Low64 Ų6468.9 Ų68.930%0.29940%0.399SS..SBendtrans-128.6136.9-179-48.1-169.3143.100109.5N47 P120 W124 R227 N229N47-E122 PolarHBondContact ND2-O 3Å; P120-E122 PolarHBondContact O-N 2.79Å; E122-W124 PolarHBondContact OE2-NE1 2.93Å; E122-R227 HydrophobicContact CB-CG 4.49Å; E122-N229 WeakPolarHBondContact CA-OD1 3.42Å; E122-N229 WeakPolarHBondContact CB-OD1 3.41Å; E122-N229 WeakPolarHBondContact CG-OD1 3.47Å
123F85.9Confident69.6Low24 Ų2468.3 Ų68.311%0.10539%0.389CS..EExtended strand (participates in β ladder)trans-107.6108.8178.9-62.6-76.5000110.9N47 W54 I69 E71 P120 D228N47-F123 WeakPolarHBondContact OD1-CA 3.29Å; W54-F123 PolarHBondContact NE1-O 2.87Å; W54-F123 VanDerWaalsContact NE1-O 3.1Å; I69-F123 HydrophobicContact CD1-CB 3.33Å; I69-F123 HydrophobicContact CD1-CD1 4.31Å; I69-F123 HydrophobicContact CD1-CD2 3.64Å; I69-F123 HydrophobicContact CD1-CG 3.51Å; E71-F123 HydrophobicContact CB-CE2 4.21Å; E71-F123 HydrophobicContact CB-CZ 4.45Å; P120-F123 HydrophobicContact CG-CD1 4.45Å; P120-F123 HydrophobicContact CG-CE1 4.15Å; F123-D228 HydrophobicContact CB-CB 4.46Å; F123-D228 PolarHBondContact N-O 3.41Å; F123-D228 PolarHBondContact O-N 2.99Å
124W88.4Confident72.1Confident10 Ų1066.7 Ų66.74%0.03838%0.379CS..EExtended strand (participates in β ladder)trans-99.1138.7-177.9-6776.9000111.7K46 N47 E122 F126 L168 P181 F184 A225 F226 R227K46-W124 VanDerWaalsContact CA-O 3.26Å; K46-W124 WeakPolarHBondContact CA-O 3.2Å; K46-W124 WeakPolarHBondContact CB-O 3.49Å; N47-W124 PolarHBondContact N-O 2.79Å; N47-W124 PolarHBondContact OD1-N 3.02Å; N47-W124 PolarHBondContact OD1-O 2.92Å; E122-W124 PolarHBondContact OE2-NE1 2.93Å; W124-F126 HydrophobicContact CB-CD2 4.34Å; W124-F126 HydrophobicContact CB-CE1 4.24Å; W124-F126 HydrophobicContact CB-CE2 3.5Å; W124-F126 HydrophobicContact CB-CZ 3.43Å; W124-F126 VanDerWaalsContact CB-CZ 3.43Å; W124-F126 HydrophobicContact CD2-CE1 4.23Å; W124-F126 AromaticContact CD2-CZ 3.93Å; W124-F126 HydrophobicContact CD2-CZ 3.93Å; W124-F126 AromaticContact CE3-CE1 3.59Å; W124-F126 HydrophobicContact CE3-CE1 3.59Å; W124-F126 AromaticContact CE3-CZ 3.78Å; W124-F126 HydrophobicContact CE3-CZ 3.78Å; W124-F126 HydrophobicContact CG-CE2 4.36Å; W124-F126 AromaticContact CG-CZ 3.84Å; W124-F126 HydrophobicContact CG-CZ 3.84Å; W124-F126 HydrophobicContact CZ3-CE1 4.28Å; W124-L168 HydrophobicContact CH2-CD1 4.24Å; W124-L168 HydrophobicContact CH2-CD2 4.02Å; W124-L168 HydrophobicContact CZ3-CD1 3.94Å; W124-L168 HydrophobicContact CZ3-CD2 4.24Å; W124-P181 HydrophobicContact CD2-CB 4.39Å; W124-P181 HydrophobicContact CH2-CB 4.1Å; W124-P181 HydrophobicContact CZ2-CB 3.83Å; W124-P181 HydrophobicContact CZ3-CB 4.5Å; W124-F184 HydrophobicContact CZ3-CB 4.39Å; W124-F184 HydrophobicContact CZ3-CG 4.47Å; W124-A225 HydrophobicContact CE3-CB 4.04Å; W124-A225 HydrophobicContact CZ3-CB 4.15Å; W124-F226 CarbonylContact C-O 3.6Å; W124-F226 VanDerWaalsContact CA-O 3.26Å; W124-F226 WeakPolarHBondContact CA-O 3.5Å; W124-R227 HydrophobicContact CD2-CB 4.08Å; W124-R227 HydrophobicContact CD2-CG 4.2Å; W124-R227 HydrophobicContact CE3-CB 4.05Å; W124-R227 HydrophobicContact CH2-CB 4.17Å; W124-R227 HydrophobicContact CH2-CG 4.31Å; W124-R227 HydrophobicContact CZ2-CB 4.17Å; W124-R227 HydrophobicContact CZ2-CG 3.85Å; W124-R227 HydrophobicContact CZ3-CB 4.09Å
125L90Very high74.8Confident0 Ų059.1 Ų59.10%034%0.339CS..EExtended strand (participates in β ladder)trans-129.5113.1171.6176.664.5000108.7W41 W44 T45 K46 W54 Y67 A225 F226W41-L125 HydrophobicContact CE3-CD2 4.26Å; W41-L125 HydrophobicContact CZ3-CD2 4.07Å; W44-L125 HydrophobicContact CB-CD1 3.85Å; W44-L125 HydrophobicContact CE3-CD1 4.14Å; W44-L125 HydrophobicContact CE3-CD2 4.22Å; W44-L125 HydrophobicContact CE3-CG 3.71Å; W44-L125 HydrophobicContact CZ3-CG 4.29Å; T45-L125 CarbonylContact O-C 3.46Å; K46-L125 HydrophobicContact CB-CD1 4.3Å; W54-L125 HydrophobicContact CD2-CB 3.87Å; W54-L125 HydrophobicContact CD2-CD2 3.75Å; W54-L125 HydrophobicContact CD2-CG 4.36Å; W54-L125 HydrophobicContact CE3-CD2 3.63Å; W54-L125 HydrophobicContact CG-CB 3.87Å; W54-L125 HydrophobicContact CG-CD2 4.2Å; W54-L125 HydrophobicContact CG-CG 4.43Å; W54-L125 HydrophobicContact CZ2-CB 4.38Å; W54-L125 HydrophobicContact CZ3-CD2 4.03Å; Y67-L125 HydrophobicContact CD1-CD2 3.68Å; Y67-L125 HydrophobicContact CE1-CD1 3.72Å; Y67-L125 HydrophobicContact CE1-CD2 3.63Å; Y67-L125 HydrophobicContact CE1-CG 4.34Å; L125-A225 CarbonylContact O-C 3.4Å; L125-A225 VanDerWaalsContact O-CA 3.27Å; L125-A225 WeakPolarHBondContact O-CA 3.46Å; L125-F226 HydrophobicContact CB-CB 4.25Å; L125-F226 HydrophobicContact CB-CD2 4.5Å; L125-F226 HydrophobicContact CD2-CD2 4.03Å; L125-F226 HydrophobicContact CG-CD2 4.37Å; L125-F226 PolarHBondContact N-O 3.34Å; L125-F226 PolarHBondContact O-N 2.97Å
126F90.4Very high77.4Confident24 Ų2455.1 Ų55.111%0.10532%0.317CS..EExtended strand (participates in β ladder)trans-104.1132-174.6-53-83.9000111.1W44 T45 W124 P181 F184 A225W44-F126 CarbonylContact C-O 3.58Å; W44-F126 VanDerWaalsContact CA-O 3.3Å; W44-F126 WeakPolarHBondContact CA-O 3.45Å; T45-F126 PolarHBondContact N-O 2.71Å; T45-F126 PolarHBondContact O-N 3.03Å; W124-F126 HydrophobicContact CB-CD2 4.34Å; W124-F126 HydrophobicContact CB-CE1 4.24Å; W124-F126 HydrophobicContact CB-CE2 3.5Å; W124-F126 HydrophobicContact CB-CZ 3.43Å; W124-F126 VanDerWaalsContact CB-CZ 3.43Å; W124-F126 HydrophobicContact CD2-CE1 4.23Å; W124-F126 AromaticContact CD2-CZ 3.93Å; W124-F126 HydrophobicContact CD2-CZ 3.93Å; W124-F126 AromaticContact CE3-CE1 3.59Å; W124-F126 HydrophobicContact CE3-CE1 3.59Å; W124-F126 AromaticContact CE3-CZ 3.78Å; W124-F126 HydrophobicContact CE3-CZ 3.78Å; W124-F126 HydrophobicContact CG-CE2 4.36Å; W124-F126 AromaticContact CG-CZ 3.84Å; W124-F126 HydrophobicContact CG-CZ 3.84Å; W124-F126 HydrophobicContact CZ3-CE1 4.28Å; F126-P181 HydrophobicContact CZ-CG 4.34Å; F126-F184 HydrophobicContact CD1-CE1 4.29Å; F126-F184 AromaticContact CD1-CE2 3.94Å; F126-F184 HydrophobicContact CD1-CE2 3.94Å; F126-F184 AromaticContact CD1-CZ 3.65Å; F126-F184 HydrophobicContact CD1-CZ 3.65Å; F126-F184 HydrophobicContact CE1-CD2 4.34Å; F126-F184 AromaticContact CE1-CE2 3.78Å; F126-F184 HydrophobicContact CE1-CE2 3.78Å; F126-F184 AromaticContact CE1-CZ 3.98Å; F126-F184 HydrophobicContact CE1-CZ 3.98Å; F126-A225 HydrophobicContact CD1-CB 3.61Å; F126-A225 HydrophobicContact CE1-CB 3.97Å
127S91.4Very high80Confident2 Ų249.6 Ų49.61%0.01428%0.279CS..PPolyproline II helixtrans-72164174.482.40000111.4W44 Y130 Q223 I224W44-S127 VanDerWaalsContact CE3-N 3.27Å; W44-S127 VanDerWaalsContact CZ3-CB 3.47Å; S127-Y130 WeakPolarHBondContact CB-OH 3.42Å; S127-Q223 VanDerWaalsContact O-CG 3.28Å; S127-Q223 WeakPolarHBondContact O-CG 3.38Å; S127-Q223 PolarHBondContact O-NE2 3.41Å; S127-Q223 WeakPolarHBondContact OG-CG 3.3Å; S127-I224 WeakPolarHBondContact CB-O 3.16Å; S127-I224 PolarHBondContact N-O 3.42Å; S127-I224 PolarHBondContact OG-N 3.41Å; S127-I224 PolarHBondContact OG-O 2.91Å
128P88.8Confident82.4Confident36 Ų3646.8 Ų46.823%0.23425%0.249CC..PPolyproline II helixtrans-61.4163.9159.427.4-34.2000111.3Y130P128-Y130 HydrophobicContact CG-CE1 3.86Å
129L88.5Confident84.5Confident39 Ų3939.8 Ų39.820%0.20421%0.211CC..PPolyproline II helixtrans-77.1121.2174.3-80.4157.4000110.2T172 H175 M179 W221 Q223L129-T172 HydrophobicContact CD2-CG2 3.88Å; L129-H175 VanDerWaalsContact CD1-O 3.23Å; L129-H175 WeakPolarHBondContact CD1-O 3.42Å; L129-M179 HydrophobicContact CD1-CE 3.81Å; L129-M179 HydrophobicContact CD2-CE 4.37Å; L129-M179 HydrophobicContact CG-CE 4.03Å; L129-W221 HydrophobicContact CB-CE3 4.22Å; L129-W221 HydrophobicContact CD2-CB 3.94Å; L129-Q223 HydrophobicContact CD2-CB 3.9Å; L129-Q223 HydrophobicContact CG-CB 4.49Å
130Y90.3Very high86.3Confident9 Ų935.1 Ų35.14%0.03519%0.187CC..EExtended strand (participates in β ladder)trans-91.5132.6174.1-50.4-50000110.2L33 E34 S127 P128 W221 L222 I224 A240L33-Y130 HydrophobicContact CB-CD1 4.4Å; E34-Y130 HydrophobicContact CB-CE1 3.65Å; E34-Y130 HydrophobicContact CG-CE1 4.25Å; S127-Y130 WeakPolarHBondContact CB-OH 3.42Å; P128-Y130 HydrophobicContact CG-CE1 3.86Å; Y130-W221 CarbonylContact O-C 3.6Å; Y130-W221 VanDerWaalsContact O-CA 3.26Å; Y130-W221 WeakPolarHBondContact O-CA 3.34Å; Y130-L222 WeakPolarHBondContact CB-O 3.31Å; Y130-L222 WeakPolarHBondContact CD2-O 3.42Å; Y130-L222 PolarHBondContact N-O 3.21Å; Y130-L222 PolarHBondContact O-N 2.94Å; Y130-I224 HydrophobicContact CD2-CD1 4.39Å; Y130-I224 HydrophobicContact CE2-CD1 3.74Å; Y130-I224 HydrophobicContact CE2-CG1 4Å; Y130-A240 HydrophobicContact CE2-CB 4.31Å
131K89.2Confident87.7Confident115 Ų11533.9 Ų33.950%0.518%0.178SC..EExtended strand (participates in β ladder)trans-78.2125.3176-165.5176.5175.3-175.90110.3D133 W221K131-D133 VanDerWaalsContact CE-CG 3.44Å; K131-D133 WeakPolarHBondContact CE-OD2 3.02Å; K131-D133 IonicContact NZ-OD2 3.96Å; K131-D133 PolarHBondContact NZ-OD2 2.81Å; K131-W221 HydrophobicContact CB-CE3 3.84Å; K131-W221 HydrophobicContact CB-CH2 3.89Å; K131-W221 HydrophobicContact CB-CZ3 3.47Å; K131-W221 VanDerWaalsContact CB-CZ3 3.47Å; K131-W221 HydrophobicContact CD-CH2 3.8Å; K131-W221 HydrophobicContact CD-CZ2 4.21Å; K131-W221 HydrophobicContact CD-CZ3 4.28Å; K131-W221 HydrophobicContact CG-CE3 4.2Å; K131-W221 HydrophobicContact CG-CH2 3.76Å; K131-W221 HydrophobicContact CG-CZ2 4.09Å; K131-W221 HydrophobicContact CG-CZ3 3.85Å
132T88.1Confident88.9Confident4 Ų428.9 Ų28.93%0.02515%0.147CC..  trans-128.617.1-173.754.30000114.4T134 I135 V138 P217 M219 K220 L222T132-T134 PolarHBondContact O-N 2.85Å; T132-I135 HydrophobicContact CG2-CD1 4.46Å; T132-I135 PolarHBondContact O-N 2.85Å; T132-I135 VanDerWaalsContact O-N 3.08Å; T132-V138 HydrophobicContact CG2-CG2 4.18Å; T132-P217 HydrophobicContact CG2-CB 4.06Å; T132-P217 HydrophobicContact CG2-CG 3.92Å; T132-M219 PolarHBondContact OG1-O 3.42Å; T132-K220 PolarHBondContact N-O 3.18Å; T132-K220 VanDerWaalsContact OG1-C 3.29Å; T132-K220 PolarHBondContact OG1-O 2.72Å; T132-L222 HydrophobicContact CG2-CB 3.7Å; T132-L222 HydrophobicContact CG2-CD2 4.41Å
133D81.9Confident89.3Confident79 Ų7926.2 Ų26.242%0.42214%0.135SC..THydrogen-bonded Turntrans-39.4-45.3-176.2-72.4-8.8000115.5K131 K220K131-D133 VanDerWaalsContact CE-CG 3.44Å; K131-D133 WeakPolarHBondContact CE-OD2 3.02Å; K131-D133 IonicContact NZ-OD2 3.96Å; K131-D133 PolarHBondContact NZ-OD2 2.81Å; D133-K220 PolarHBondContact N-O 3.1Å; D133-K220 WeakPolarHBondContact OD1-CB 2.97Å; D133-K220 WeakPolarHBondContact OD1-CD 3.45Å; D133-K220 WeakPolarHBondContact OD1-CG 3.27Å
134T81.4Confident89.5Confident99 Ų9925.2 Ų25.261%0.60713%0.13SC*.THydrogen-bonded Turntrans-115.2-3.2-17754.90000113.7T132T132-T134 PolarHBondContact O-N 2.85Å
135I87.5Confident89.3Confident14 Ų1426.6 Ų26.67%0.07214%0.138CC..  trans-83.5125.5-171.6-58.6175.8000109.2L33 T132 N137 V138 P217 H242L33-I135 HydrophobicContact CD1-CD1 4.31Å; L33-I135 HydrophobicContact CD2-CD1 3.98Å; T132-I135 HydrophobicContact CG2-CD1 4.46Å; T132-I135 PolarHBondContact O-N 2.85Å; T132-I135 VanDerWaalsContact O-N 3.08Å; I135-N137 WeakPolarHBondContact CG2-O 3.47Å; I135-V138 HydrophobicContact CG2-CG2 3.74Å; I135-P217 HydrophobicContact CG2-CG 4.49Å; I135-P217 WeakPolarHBondContact O-CG 3.42Å; I135-H242 HydrophobicContact CG2-CB 3.64Å
136L87.1Confident89.1Confident51 Ų5127.3 Ų27.327%0.26714%0.141SC..SBendtrans-92.4-26.1-178.8-59.7175.6000112.9P217 R267L136-P217 WeakPolarHBondContact O-CD 3.46Å; L136-R267 HydrophobicContact CD1-CG 4.39Å
137N91.4Very high88.7Confident3 Ų330.9 Ų30.92%0.01616%0.156CC..  trans-144.3128.6-177.9-165.316.4000110.7I135 Y139 Q214 I215 H242 H262I135-N137 WeakPolarHBondContact CG2-O 3.47Å; N137-Y139 HydrophobicContact CB-CE2 4.42Å; N137-Y139 WeakPolarHBondContact ND2-CE2 3.28Å; N137-Y139 VanDerWaalsContact ND2-CZ 3.27Å; N137-Y139 PolarHBondContact ND2-OH 3.48Å; N137-Y139 VanDerWaalsContact ND2-OH 3.14Å; N137-Q214 PolarHBondContact ND2-OE1 3.25Å; N137-Q214 VanDerWaalsContact ND2-OE1 3.08Å; N137-I215 WeakPolarHBondContact CA-O 3.5Å; N137-I215 PolarHBondContact OD1-O 3.19Å; N137-H242 VanDerWaalsContact O-CB 3.27Å; N137-H242 WeakPolarHBondContact O-CB 3.27Å; N137-H262 HydrophobicContact CB-CB 4.08Å; N137-H262 VanDerWaalsContact CG-ND1 3.25Å; N137-H262 PolarHBondContact OD1-ND1 3.25Å
138V92.8Very high88.1Confident0 Ų031.3 Ų31.30%016%0.16CC..EExtended strand (participates in β ladder)trans-113.5124.4171.7176.80000108.2L33 T132 I135 I215 P217 L222L33-V138 HydrophobicContact CD1-CG1 4.03Å; L33-V138 HydrophobicContact CD1-CG2 4.04Å; T132-V138 HydrophobicContact CG2-CG2 4.18Å; I135-V138 HydrophobicContact CG2-CG2 3.74Å; V138-I215 HydrophobicContact CB-CB 4.38Å; V138-I215 PolarHBondContact N-O 3Å; V138-I215 PolarHBondContact O-N 3.07Å; V138-P217 HydrophobicContact CG2-CG 3.85Å; V138-L222 HydrophobicContact CB-CD2 4.17Å; V138-L222 HydrophobicContact CG1-CD2 4.26Å; V138-L222 HydrophobicContact CG2-CD2 4.09Å
139Y93.5Very high87.5Confident19 Ų1930.4 Ų30.48%0.07515%0.154CC..EExtended strand (participates in β ladder)trans-89.9126.9171.5-65.1-97.7000108.7N137 T212 I213 Q214 A240 Y241 L243 A315N137-Y139 HydrophobicContact CB-CE2 4.42Å; N137-Y139 WeakPolarHBondContact ND2-CE2 3.28Å; N137-Y139 VanDerWaalsContact ND2-CZ 3.27Å; N137-Y139 PolarHBondContact ND2-OH 3.48Å; N137-Y139 VanDerWaalsContact ND2-OH 3.14Å; Y139-T212 HydrophobicContact CD1-CG2 3.95Å; Y139-I213 CarbonylContact C-O 3.52Å; Y139-I213 WeakPolarHBondContact CA-O 3.43Å; Y139-Q214 HydrophobicContact CD1-CG 3.81Å; Y139-Q214 HydrophobicContact CE1-CG 3.66Å; Y139-A240 CarbonylContact O-C 3.51Å; Y139-A240 WeakPolarHBondContact O-CA 3.37Å; Y139-Y241 HydrophobicContact CD1-CE2 4.44Å; Y139-Y241 HydrophobicContact CD2-CD2 4.17Å; Y139-Y241 AromaticContact CD2-CE2 3.81Å; Y139-Y241 HydrophobicContact CD2-CE2 3.81Å; Y139-Y241 HydrophobicContact CG-CD2 4.3Å; Y139-Y241 AromaticContact CG-CE2 3.68Å; Y139-Y241 HydrophobicContact CG-CE2 3.68Å; Y139-Y241 AromaticContact CG-CZ 3.83Å; Y139-Y241 PolarHBondContact N-O 3.21Å; Y139-Y241 PolarHBondContact O-N 3.05Å; Y139-L243 HydrophobicContact CD2-CD1 4.41Å; Y139-L243 HydrophobicContact CD2-CG 4.17Å; Y139-L243 HydrophobicContact CE2-CB 4.33Å; Y139-L243 HydrophobicContact CE2-CD1 3.74Å; Y139-L243 HydrophobicContact CE2-CG 3.79Å; Y139-A315 PolarHBondContact OH-O 2.86Å; Y139-A315 VanDerWaalsContact OH-O 3.06Å
140L94.1Very high86.8Confident0 Ų034.9 Ų34.90%018%0.177CC..EExtended strand (participates in β ladder)trans-111101.9172.5-174.468.6000108.2I142 I167 T212 I213 I215 I224 L238 A240L140-I142 HydrophobicContact CD2-CD1 3.8Å; L140-I142 HydrophobicContact CD2-CG1 4.28Å; L140-I142 HydrophobicContact CG-CD1 4.06Å; L140-I142 HydrophobicContact CG-CG1 3.95Å; L140-I167 HydrophobicContact CD2-CG2 4.24Å; L140-T212 CarbonylContact O-C 3.53Å; L140-T212 WeakPolarHBondContact O-CA 3.44Å; L140-I213 HydrophobicContact CB-CB 4.37Å; L140-I213 HydrophobicContact CD2-CD1 4.49Å; L140-I213 PolarHBondContact N-O 2.84Å; L140-I213 PolarHBondContact O-N 2.95Å; L140-I215 HydrophobicContact CB-CD1 4.34Å; L140-I224 HydrophobicContact CD1-CD1 3.57Å; L140-I224 HydrophobicContact CD2-CD1 3.87Å; L140-I224 HydrophobicContact CD2-CG2 4.18Å; L140-I224 HydrophobicContact CG-CD1 4.23Å; L140-L238 HydrophobicContact CD1-CD1 4.02Å; L140-L238 HydrophobicContact CD1-CD2 3.62Å; L140-L238 HydrophobicContact CD1-CG 3.73Å; L140-A240 HydrophobicContact CD1-CB 4.22Å
141E93.4Very high85.8Confident15 Ų1540.5 Ų40.57%0.0720%0.204CC..EExtended strand (participates in β ladder)trans-96.6116.7177-176.3179.3-179.900109K30 R210 V211 L238 I239 Y241K30-E141 IonicContact NZ-OE2 2.91Å; K30-E141 PolarHBondContact NZ-OE2 3.39Å; E141-R210 HydrophobicContact CG-CG 4.11Å; E141-R210 WeakPolarHBondContact OE1-CD 3.41Å; E141-R210 IonicContact OE1-CZ 2.83Å; E141-R210 IonicContact OE1-NE 3.3Å; E141-R210 PolarHBondContact OE1-NE 3.07Å; E141-R210 IonicContact OE1-NH1 2.97Å; E141-R210 PolarHBondContact OE1-NH1 2.78Å; E141-R210 IonicContact OE1-NH2 3.68Å; E141-V211 WeakPolarHBondContact CA-O 3.42Å; E141-L238 WeakPolarHBondContact O-CA 3.35Å; E141-I239 HydrophobicContact CB-CB 4.36Å; E141-I239 PolarHBondContact N-O 3.04Å; E141-I239 PolarHBondContact O-N 3.09Å; E141-Y241 HydrophobicContact CB-CE1 4.09Å
142I91.9Very high84.8Confident0 Ų037.3 Ų37.30%019%0.192CC..EExtended strand (participates in β ladder)trans-117.6123-177.9-53.3172.8000108.4L140 Y144 I167 L190 R210 V211 I213 F226 I235 L238L140-I142 HydrophobicContact CD2-CD1 3.8Å; L140-I142 HydrophobicContact CD2-CG1 4.28Å; L140-I142 HydrophobicContact CG-CD1 4.06Å; L140-I142 HydrophobicContact CG-CG1 3.95Å; I142-Y144 HydrophobicContact CG2-CD1 4.38Å; I142-I167 HydrophobicContact CD1-CD1 3.51Å; I142-L190 HydrophobicContact CD1-CD1 4.25Å; I142-R210 WeakPolarHBondContact O-CA 3.43Å; I142-V211 HydrophobicContact CB-CG1 3.91Å; I142-V211 PolarHBondContact N-O 2.98Å; I142-V211 PolarHBondContact O-N 3.03Å; I142-I213 HydrophobicContact CD1-CD1 4.41Å; I142-F226 HydrophobicContact CD1-CE1 3.87Å; I142-F226 HydrophobicContact CD1-CZ 3.93Å; I142-I235 HydrophobicContact CG2-CG2 3.89Å; I142-L238 HydrophobicContact CG1-CD1 4.36Å; I142-L238 HydrophobicContact CG1-CG 4.34Å
143T89.6Confident83.5Confident7 Ų740 Ų404%0.04322%0.221CC..EExtended strand (participates in β ladder)trans-97.7122.416558.90000109F198 K209 R210 D236 R237T143-F198 HydrophobicContact CG2-CD1 4.43Å; T143-K209 CarbonylContact C-O 3.57Å; T143-K209 VanDerWaalsContact CA-O 3.28Å; T143-K209 WeakPolarHBondContact CA-O 3.32Å; T143-R210 HydrophobicContact CG2-CB 4.33Å; T143-R210 HydrophobicContact CG2-CG 4.23Å; T143-D236 PolarHBondContact O-N 3.2Å; T143-D236 PolarHBondContact OG1-OD2 2.87Å; T143-R237 PolarHBondContact N-O 3.08Å; T143-R237 PolarHBondContact O-N 2.9Å; T143-R237 WeakPolarHBondContact OG1-CA 3.42Å; T143-R237 VanDerWaalsContact OG1-CB 3.24Å; T143-R237 WeakPolarHBondContact OG1-CB 3.47Å; T143-R237 PolarHBondContact OG1-N 3.08Å; T143-R237 PolarHBondContact OG1-O 2.96Å
144Y89Confident82.5Confident3 Ų338.3 Ų38.31%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-144.9164.5-174.875.7-78.7000112.3I142 M146 L190 T191 E194 K209 V211 V233 L234I142-Y144 HydrophobicContact CG2-CD1 4.38Å; Y144-M146 HydrophobicContact CD2-CB 4.3Å; Y144-M146 HydrophobicContact CE2-CB 4.2Å; Y144-L190 HydrophobicContact CD1-CD1 4.49Å; Y144-L190 HydrophobicContact CE1-CD1 4.4Å; Y144-L190 HydrophobicContact CE1-CD2 4.29Å; Y144-T191 PolarHBondContact OH-O 2.89Å; Y144-E194 PolarHBondContact OH-O 2.89Å; Y144-K209 HydrophobicContact CD1-CB 4.44Å; Y144-K209 HydrophobicContact CE1-CB 4.11Å; Y144-K209 PolarHBondContact N-O 2.75Å; Y144-K209 PolarHBondContact O-N 3.38Å; Y144-V211 HydrophobicContact CD1-CG1 4.26Å; Y144-V211 HydrophobicContact CE1-CB 4.33Å; Y144-V211 HydrophobicContact CE1-CG1 3.9Å; Y144-V233 HydrophobicContact CD2-CG1 4.41Å; Y144-L234 CarbonylContact C-O 3.43Å; Y144-L234 WeakPolarHBondContact CA-O 3.48Å; Y144-L234 WeakPolarHBondContact CB-O 3.27Å
145Q85.4Confident81.1Confident40 Ų4041.3 Ų41.319%0.18722%0.22CC..EExtended strand (participates in β ladder)trans-133.8129.1169.2-179.2174.7-11.600108.3S207 L208 L234Q145-S207 PolarHBondContact NE2-OG 2.92Å; Q145-S207 VanDerWaalsContact NE2-OG 3.11Å; Q145-S207 PolarHBondContact OE1-OG 3.34Å; Q145-L208 HydrophobicContact CB-CD2 4.28Å; Q145-L234 PolarHBondContact N-O 3.29Å; Q145-L234 PolarHBondContact O-N 2.85Å
146M85.5Confident79.1Confident14 Ų1447.7 Ų47.77%0.06925%0.249CC..EExtended strand (participates in β ladder)trans-119.4148.4174.6-176.6151.162.800109.7Y144 E163 F192 C232 V233Y144-M146 HydrophobicContact CD2-CB 4.3Å; Y144-M146 HydrophobicContact CE2-CB 4.2Å; M146-E163 WeakPolarHBondContact CE-O 3.38Å; M146-F192 HydrophobicContact CB-CD2 4.24Å; M146-F192 HydrophobicContact CE-CB 3.74Å; M146-F192 HydrophobicContact CG-CD2 4.29Å; M146-F192 WeakPolarHBondContact O-CD2 3.3Å; M146-F192 WeakPolarHBondContact O-CE2 3.28Å; M146-C232 WeakPolarHBondContact CA-O 3.25Å; M146-C232 WeakPolarHBondContact CG-O 3.43Å; M146-V233 HydrophobicContact CB-CG2 4.1Å; M146-V233 HydrophobicContact CG-CG2 3.79Å; M146-V233 HydrophobicContact SD-CG2 3.28Å; M146-V233 WeakPolarHBondContact SD-CG2 2.88Å
147K81.2Confident77.3Confident99 Ų9955.4 Ų55.443%0.4328%0.284SS..  trans-100.5142.5169.7-69-175.9177.9179.50110.2L152 C232K147-L152 HydrophobicContact CB-CD1 4.46Å; K147-L152 HydrophobicContact CB-CD2 4.46Å; K147-L152 HydrophobicContact CB-CG 4.26Å; K147-L152 HydrophobicContact CD-CD2 4.01Å; K147-C232 HydrophobicContact CB-CB 4.36Å; K147-C232 PolarHBondContact N-O 3.4Å
148S79.6Confident75Confident12 Ų1259.8 Ų59.88%0.08432%0.315CS..  trans-74153.5170.875.70000110.6L150 Q151 L152 E163S148-L150 PolarHBondContact O-N 2.6Å; S148-Q151 WeakPolarHBondContact O-CB 3.31Å; S148-Q151 PolarHBondContact O-N 3.12Å; S148-Q151 VanDerWaalsContact O-N 3.07Å; S148-Q151 WeakPolarHBondContact OG-CG 3.44Å; S148-Q151 PolarHBondContact OG-N 2.01Å; S148-L152 PolarHBondContact O-N 3.26Å; S148-E163 WeakPolarHBondContact CA-OE1 3.46Å; S148-E163 VanDerWaalsContact CB-OE1 3.29Å; S148-E163 WeakPolarHBondContact CB-OE1 3.3Å
149C77.2Confident73.1Confident17 Ų1763.3 Ų63.312%0.11533%0.333CS..THydrogen-bonded Turntrans-60-33.3174.8-69.30000111.5L152 Y154 C161 E163C149-L152 PolarHBondContact O-N 2.98Å; C149-Y154 HydrophobicContact CB-CD2 4.35Å; C149-Y154 WeakPolarHBondContact O-CD2 3.33Å; C149-Y154 PolarHBondContact O-N 3.3Å; C149-C161 WeakPolarHBondContact CA-SG 3.45Å; C149-C161 HydrophobicContact CB-CB 3.9Å; C149-C161 WeakPolarHBondContact CB-SG 3.36Å; C149-C161 WeakPolarHBondContact SG-CB 3.47Å; C149-C161 PolarHBondContact SG-O 2.77Å; C149-C161 CovalentContact SG-SG 2.04Å; C149-C161 PolarHBondContact SG-SG 3.29Å; C149-E163 HydrophobicContact CB-CG 4.15Å; C149-E163 WeakPolarHBondContact CB-OE1 3.44Å; C149-E163 PolarHBondContact N-OE1 2.93Å; C149-E163 WeakPolarHBondContact SG-CG 3.5Å
150L72.1Confident71.9Confident133 Ų13368.4 Ų68.470%0.69636%0.357SS*.THydrogen-bonded Turntrans-61.4-44.2172.7-72.6159.3000111.9S148 L152 G153S148-L150 PolarHBondContact O-N 2.6Å; L150-L152 PolarHBondContact O-N 3.49Å; L150-G153 PolarHBondContact O-N 3.32Å; L150-G153 VanDerWaalsContact O-N 3.14Å
151Q70.4Confident70.9Confident127 Ų12769.8 Ų69.859%0.59337%0.367SS*.THydrogen-bonded Turntrans-66.4-24.1177.9-75173.3-13.200113.1S148 G153S148-Q151 WeakPolarHBondContact O-CB 3.31Å; S148-Q151 PolarHBondContact O-N 3.12Å; S148-Q151 VanDerWaalsContact O-N 3.07Å; S148-Q151 WeakPolarHBondContact OG-CG 3.44Å; S148-Q151 PolarHBondContact OG-N 2.01Å; Q151-G153 VanDerWaalsContact C-N 3.28Å
152L66.8Low70.2Confident47 Ų4772.6 Ų72.625%0.24638%0.379CS..THydrogen-bonded Turntrans-83.7-1176.8-68.3167.4000113.3K147 S148 C149 L150 Y154 C232K147-L152 HydrophobicContact CB-CD1 4.46Å; K147-L152 HydrophobicContact CB-CD2 4.46Å; K147-L152 HydrophobicContact CB-CG 4.26Å; K147-L152 HydrophobicContact CD-CD2 4.01Å; S148-L152 PolarHBondContact O-N 3.26Å; C149-L152 PolarHBondContact O-N 2.98Å; L150-L152 PolarHBondContact O-N 3.49Å; L152-Y154 HydrophobicContact CB-CD2 3.61Å; L152-Y154 HydrophobicContact CB-CE2 3.48Å; L152-Y154 VanDerWaalsContact CB-CE2 3.48Å; L152-Y154 HydrophobicContact CD1-CD2 4.47Å; L152-Y154 HydrophobicContact CD1-CE2 3.95Å; L152-Y154 HydrophobicContact CG-CE2 4.34Å; L152-C232 HydrophobicContact CD1-CB 3.73Å
153G62.1Low69.8Low61 Ų6176 Ų7663%0.62940%0.395SS*.THydrogen-bonded Turntrans83.118.6177.300000114.7L150 Q151 L155L150-G153 PolarHBondContact O-N 3.32Å; L150-G153 VanDerWaalsContact O-N 3.14Å; Q151-G153 VanDerWaalsContact C-N 3.28Å; G153-L155 PolarHBondContact O-N 3.32Å
154Y60Low69.6Low44 Ų4478.1 Ų78.117%0.17340%0.404CS..  trans-83.3110.3176.4-62-66.5000110.9K72 C149 L152 I159 C161K72-Y154 VanDerWaalsContact CD-OH 3.24Å; K72-Y154 WeakPolarHBondContact CD-OH 3.21Å; K72-Y154 WeakPolarHBondContact CE-OH 3.29Å; K72-Y154 WeakPolarHBondContact CG-OH 3.33Å; C149-Y154 HydrophobicContact CB-CD2 4.35Å; C149-Y154 WeakPolarHBondContact O-CD2 3.33Å; C149-Y154 PolarHBondContact O-N 3.3Å; L152-Y154 HydrophobicContact CB-CD2 3.61Å; L152-Y154 HydrophobicContact CB-CE2 3.48Å; L152-Y154 VanDerWaalsContact CB-CE2 3.48Å; L152-Y154 HydrophobicContact CD1-CD2 4.47Å; L152-Y154 HydrophobicContact CD1-CE2 3.95Å; L152-Y154 HydrophobicContact CG-CE2 4.34Å; Y154-I159 HydrophobicContact CD1-CB 4.21Å; Y154-I159 HydrophobicContact CD1-CD1 3.71Å; Y154-I159 HydrophobicContact CD1-CG2 3.89Å; Y154-I159 HydrophobicContact CE1-CB 4.45Å; Y154-I159 HydrophobicContact CE1-CD1 3.89Å; Y154-I159 HydrophobicContact CE1-CG2 3.7Å; Y154-C161 HydrophobicContact CD2-CB 3.81Å; Y154-C161 HydrophobicContact CE2-CB 4.02Å; Y154-C161 HydrophobicContact CG-CB 4.3Å
155L51.6Low69.7Low162 Ų16278 Ų7885%0.84840%0.404SS*.  trans-107.9-1.4179.3-137.786.9000113.9G153G153-L155 PolarHBondContact O-N 3.32Å
156H46.3Very low69.9Low148 Ų14876.4 Ų76.469%0.68540%0.397SS*.SBendtrans-128.6140.8-167.5-100.1-77.3000114.1S158H156-S158 PolarHBondContact O-N 2.76Å
157Q48.5Very low70.2Confident212 Ų21275.8 Ų75.899%0.99139%0.394SS*.THydrogen-bonded Turntrans-64.23.1-178.5-73.8177-24.300116.2
158S44.8Very low70.7Confident96 Ų9671.2 Ų71.267%0.67137%0.374SS*.THydrogen-bonded Turntrans-103.98.8-175.550.50000114.8H156H156-S158 PolarHBondContact O-N 2.76Å
159I53.1Low71.3Confident74 Ų7470.7 Ų70.738%0.37937%0.37SS..SBendtrans-124.4117.3178-59.2169.6000108.6Y154 C161Y154-I159 HydrophobicContact CD1-CB 4.21Å; Y154-I159 HydrophobicContact CD1-CD1 3.71Å; Y154-I159 HydrophobicContact CD1-CG2 3.89Å; Y154-I159 HydrophobicContact CE1-CB 4.45Å; Y154-I159 HydrophobicContact CE1-CD1 3.89Å; Y154-I159 HydrophobicContact CE1-CG2 3.7Å; I159-C161 PolarHBondContact O-N 2.98Å
160E66.3Low71.9Confident125 Ų12571.4 Ų71.458%0.58437%0.371SS*.  trans-70.752.8178.4-60.6177.8173.800112.1K73K73-E160 HydrophobicContact CD-CB 4.44Å; K73-E160 WeakPolarHBondContact CD-OE2 3.47Å; K73-E160 WeakPolarHBondContact CE-OE2 3.27Å; K73-E160 IonicContact NZ-OE2 2.73Å; K73-E160 PolarHBondContact NZ-OE2 2.79Å
161C74.5Confident72.8Confident30 Ų3066.3 Ų66.320%0.20334%0.343CS..  trans-71.6128.7168.5-179.40000108.8C149 Y154 I159C149-C161 WeakPolarHBondContact CA-SG 3.45Å; C149-C161 HydrophobicContact CB-CB 3.9Å; C149-C161 WeakPolarHBondContact CB-SG 3.36Å; C149-C161 WeakPolarHBondContact SG-CB 3.47Å; C149-C161 PolarHBondContact SG-O 2.77Å; C149-C161 CovalentContact SG-SG 2.04Å; C149-C161 PolarHBondContact SG-SG 3.29Å; Y154-C161 HydrophobicContact CD2-CB 3.81Å; Y154-C161 HydrophobicContact CE2-CB 4.02Å; Y154-C161 HydrophobicContact CG-CB 4.3Å; I159-C161 PolarHBondContact O-N 2.98Å
162K78.7Confident73.6Confident74 Ų7460.8 Ų60.832%0.32232%0.318SS..  trans-115145.7178.1-75-178.4159.3-155.40110.3H164 N229 G230 S231K162-H164 VanDerWaalsContact CD-CE1 3.47Å; K162-H164 WeakPolarHBondContact CD-CE1 3.42Å; K162-H164 PolarHBondContact NZ-NE2 3.42Å; K162-N229 HydrophobicContact CD-CB 3.83Å; K162-G230 PolarHBondContact N-O 3.23Å; K162-S231 WeakPolarHBondContact O-CA 3.1Å; K162-S231 WeakPolarHBondContact O-CB 3.4Å
163E83.4Confident74.4Confident70 Ų7062.9 Ų62.933%0.32733%0.33SS..SBendtrans-109.732.3177.1-57.7-174.5167.500111.6M146 S148 C149 F192M146-E163 WeakPolarHBondContact CE-O 3.38Å; S148-E163 WeakPolarHBondContact CA-OE1 3.46Å; S148-E163 VanDerWaalsContact CB-OE1 3.29Å; S148-E163 WeakPolarHBondContact CB-OE1 3.3Å; C149-E163 HydrophobicContact CB-CG 4.15Å; C149-E163 WeakPolarHBondContact CB-OE1 3.44Å; C149-E163 PolarHBondContact N-OE1 2.93Å; C149-E163 WeakPolarHBondContact SG-CG 3.5Å; E163-F192 HydrophobicContact CB-CB 4.28Å; E163-F192 PolarHBondContact O-N 2.83Å
164H85.5Confident75.2Confident52 Ų5264.2 Ų64.224%0.24133%0.325CS..EExtended strand (participates in β ladder)trans-140.6147.2177.658.7-88.3000112.3K162 D166 I189 L190 S231K162-H164 VanDerWaalsContact CD-CE1 3.47Å; K162-H164 WeakPolarHBondContact CD-CE1 3.42Å; K162-H164 PolarHBondContact NZ-NE2 3.42Å; H164-D166 IonicContact CD2-OD1 2.6Å; H164-D166 PolarHBondContact CD2-OD1 2.86Å; H164-I189 HydrophobicContact CB-CG2 3.68Å; H164-L190 CarbonylContact C-O 3.52Å; H164-L190 WeakPolarHBondContact CA-O 3.33Å; H164-S231 WeakPolarHBondContact O-CB 3.35Å; H164-S231 PolarHBondContact O-OG 3.25Å
165L89.8Confident75.8Confident1 Ų167.2 Ų67.21%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-119125.7171.4177.269.9000109.1W54 L190 F226 D228 V233 I235W54-L165 HydrophobicContact CH2-CD1 3.96Å; W54-L165 HydrophobicContact CH2-CD2 4.04Å; W54-L165 HydrophobicContact CZ2-CD1 3.79Å; L165-L190 HydrophobicContact CB-CB 4.32Å; L165-L190 HydrophobicContact CD2-CD1 4.42Å; L165-L190 PolarHBondContact N-O 3.48Å; L165-L190 PolarHBondContact O-N 2.58Å; L165-F226 HydrophobicContact CD1-CB 4.27Å; L165-F226 HydrophobicContact CD2-CB 4.48Å; L165-F226 HydrophobicContact CD2-CD1 3.9Å; L165-F226 HydrophobicContact CD2-CG 4.39Å; L165-F226 HydrophobicContact CG-CD1 4.38Å; L165-D228 HydrophobicContact CD1-CB 3.86Å; L165-V233 HydrophobicContact CB-CG2 4.29Å; L165-V233 HydrophobicContact CD2-CG1 4.17Å; L165-I235 HydrophobicContact CD2-CD1 4.39Å
166D90.3Very high76.4Confident7 Ų766.8 Ų66.84%0.03734%0.338CS..EExtended strand (participates in β ladder)trans-86.4129-179.7-56.6-29.5000109.7H164 L168 F226 R227H164-D166 IonicContact CD2-OD1 2.6Å; H164-D166 PolarHBondContact CD2-OD1 2.86Å; D166-L168 HydrophobicContact CB-CD1 3.94Å; D166-F226 WeakPolarHBondContact O-CA 3.19Å; D166-R227 HydrophobicContact CB-CB 4.19Å; D166-R227 PolarHBondContact N-O 2.91Å; D166-R227 VanDerWaalsContact N-O 3.12Å; D166-R227 PolarHBondContact O-N 3.24Å; D166-R227 IonicContact OD2-CZ 2.7Å; D166-R227 VanDerWaalsContact OD2-CZ 3.24Å; D166-R227 IonicContact OD2-NE 3.88Å; D166-R227 PolarHBondContact OD2-NE 3.4Å; D166-R227 IonicContact OD2-NH2 3.82Å; D166-R227 PolarHBondContact OD2-NH2 2.83Å
167I92.4Very high76.8Confident1 Ų161.6 Ų61.61%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-105123.7171.7-50.9-177.1000107.6L140 I142 L187 H188 L190 I213 I224 F226L140-I167 HydrophobicContact CD2-CG2 4.24Å; I142-I167 HydrophobicContact CD1-CD1 3.51Å; I167-L187 HydrophobicContact CG2-CD2 4.12Å; I167-L187 WeakPolarHBondContact O-CA 3.14Å; I167-L187 WeakPolarHBondContact O-CB 3.42Å; I167-L187 PolarHBondContact O-N 2.94Å; I167-H188 WeakPolarHBondContact CA-O 3.46Å; I167-H188 HydrophobicContact CB-CB 4.44Å; I167-H188 WeakPolarHBondContact CB-O 3.33Å; I167-H188 PolarHBondContact N-O 3Å; I167-H188 PolarHBondContact O-N 2.81Å; I167-H188 VanDerWaalsContact O-N 3.12Å; I167-L190 HydrophobicContact CD1-CD1 3.53Å; I167-L190 HydrophobicContact CD1-CD2 4.18Å; I167-L190 HydrophobicContact CD1-CG 3.53Å; I167-L190 HydrophobicContact CG1-CD1 4.2Å; I167-L190 HydrophobicContact CG1-CG 4.11Å; I167-I213 HydrophobicContact CD1-CD1 3.4Å; I167-I224 HydrophobicContact CG2-CG2 3.94Å; I167-F226 HydrophobicContact CB-CD1 4.48Å; I167-F226 HydrophobicContact CB-CE1 4.41Å; I167-F226 HydrophobicContact CD1-CD1 4.5Å; I167-F226 HydrophobicContact CD1-CE1 3.87Å; I167-F226 HydrophobicContact CG1-CD1 3.85Å; I167-F226 HydrophobicContact CG1-CE1 3.69Å; I167-F226 HydrophobicContact CG2-CD1 4.44Å; I167-F226 HydrophobicContact CG2-CE1 4.1Å
168L92.1Very high77.2Confident3 Ų356.5 Ų56.52%0.01631%0.307CS..EExtended strand (participates in β ladder)trans-121.2153.5179.8-54.693.8000111W124 D166 F184 T185 E186 I224 A225 R227W124-L168 HydrophobicContact CH2-CD1 4.24Å; W124-L168 HydrophobicContact CH2-CD2 4.02Å; W124-L168 HydrophobicContact CZ3-CD1 3.94Å; W124-L168 HydrophobicContact CZ3-CD2 4.24Å; D166-L168 HydrophobicContact CB-CD1 3.94Å; L168-F184 HydrophobicContact CB-CB 3.85Å; L168-F184 HydrophobicContact CB-CD1 4.17Å; L168-F184 HydrophobicContact CB-CG 4.45Å; L168-F184 HydrophobicContact CD2-CB 3.99Å; L168-T185 CarbonylContact C-O 3.55Å; L168-T185 WeakPolarHBondContact CA-O 3.46Å; L168-T185 WeakPolarHBondContact CB-O 3.47Å; L168-E186 HydrophobicContact CD2-CG 3.84Å; L168-E186 HydrophobicContact CG-CG 4.22Å; L168-I224 CarbonylContact O-C 3.52Å; L168-I224 WeakPolarHBondContact O-CA 3.47Å; L168-A225 PolarHBondContact N-O 2.98Å; L168-A225 PolarHBondContact O-N 2.84Å; L168-R227 HydrophobicContact CD1-CB 3.6Å
169A92.3Very high78Confident1 Ų155.6 Ų55.61%0.00829%0.293CS..EExtended strand (participates in β ladder)trans-125.5139.9177.100000110.9T185 L187 L222 Q223A169-T185 PolarHBondContact N-O 2.78Å; A169-T185 PolarHBondContact O-N 3.05Å; A169-T185 PolarHBondContact O-OG1 3.05Å; A169-L187 HydrophobicContact CB-CB 4.33Å; A169-L187 HydrophobicContact CB-CD2 4.49Å; A169-L222 HydrophobicContact CB-CD1 4.08Å; A169-Q223 CarbonylContact C-O 3.41Å; A169-Q223 WeakPolarHBondContact CA-O 3.45Å
170Y89.7Confident78.7Confident32 Ų3255.4 Ų55.413%0.12530%0.295CS..EExtended strand (participates in β ladder)trans-119.8134.5171.6175.1-118.5000109.5T172 D183 F184 Q223Y170-T172 HydrophobicContact CD1-CG2 4.31Å; Y170-T172 HydrophobicContact CE1-CG2 3.74Å; Y170-D183 HydrophobicContact CD2-CB 3.82Å; Y170-D183 WeakPolarHBondContact CD2-O 3.3Å; Y170-D183 HydrophobicContact CE2-CB 3.63Å; Y170-F184 VanDerWaalsContact CB-CE1 3.42Å; Y170-F184 HydrophobicContact CG-CZ 4.4Å; Y170-Q223 PolarHBondContact N-O 2.86Å; Y170-Q223 PolarHBondContact O-N 2.8Å
171H89.9Confident79.2Confident26 Ų2652.1 Ų52.112%0.1229%0.285CS..EExtended strand (participates in β ladder)trans-118.2130.1-179.5-58.8-93.7000108.4R216 K218 M219 W221H171-R216 PolarHBondContact CE1-O 3.44Å; H171-K218 HydrophobicContact CB-CB 4.3Å; H171-K218 PolarHBondContact ND1-N 2.91Å; H171-M219 VanDerWaalsContact C-SD 3.53Å; H171-M219 HydrophobicContact CB-CB 4.07Å; H171-M219 HydrophobicContact CB-CG 4.1Å; H171-M219 HydrophobicContact CB-SD 4.29Å; H171-W221 WeakPolarHBondContact CA-O 3.31Å
172T86.9Confident79.2Confident10 Ų1059.7 Ų59.76%0.06131%0.314CS..EExtended strand (participates in β ladder)trans-145.5152.1-179.4-176.80000111.9L129 Y170 V174 M219 K220 W221L129-T172 HydrophobicContact CD2-CG2 3.88Å; Y170-T172 HydrophobicContact CD1-CG2 4.31Å; Y170-T172 HydrophobicContact CE1-CG2 3.74Å; T172-V174 WeakPolarHBondContact CG2-O 3.44Å; T172-V174 PolarHBondContact OG1-N 2.97Å; T172-V174 VanDerWaalsContact OG1-N 3.08Å; T172-V174 PolarHBondContact OG1-O 3.46Å; T172-M219 WeakPolarHBondContact CA-SD 3.23Å; T172-M219 WeakPolarHBondContact O-CB 3.47Å; T172-K220 PolarHBondContact O-N 3.39Å; T172-W221 HydrophobicContact CG2-CB 3.88Å; T172-W221 PolarHBondContact N-O 3.02Å; T172-W221 WeakPolarHBondContact O-CA 3.39Å; T172-W221 WeakPolarHBondContact O-CB 3.21Å; T172-W221 PolarHBondContact O-N 2.87Å
173D84.7Confident79.4Confident92 Ų9259.8 Ų59.849%0.49232%0.318SS..SBendtrans-93.3-8.2169.5-71.8-36.3000112.8M219 K220D173-M219 WeakPolarHBondContact OD1-CB 3.38Å; D173-K220 WeakPolarHBondContact OD1-CG 3.23Å; D173-K220 PolarHBondContact OD1-N 2.93Å
174V79.4Confident79.5Confident88 Ų8857.2 Ų57.253%0.53331%0.306SS..  trans-108.1123.8-174.2-176.40000110.3T172 L176T172-V174 WeakPolarHBondContact CG2-O 3.44Å; T172-V174 PolarHBondContact OG1-N 2.97Å; T172-V174 VanDerWaalsContact OG1-N 3.08Å; T172-V174 PolarHBondContact OG1-O 3.46Å; V174-L176 VanDerWaalsContact C-N 3.26Å; V174-L176 PolarHBondContact O-N 3.16Å
175H71Confident79.6Confident107 Ų10758.3 Ų58.350%0.49532%0.316SS..THydrogen-bonded Turntrans-65.2-24.4-178-173-94.8000114.1L129 W221L129-H175 VanDerWaalsContact CD1-O 3.23Å; L129-H175 WeakPolarHBondContact CD1-O 3.42Å; H175-W221 HydrophobicContact CB-CZ2 4.46Å; H175-W221 AromaticContact CD2-CE2 4Å; H175-W221 AromaticContact CD2-CH2 3.4Å; H175-W221 WeakPolarHBondContact CD2-CH2 3.46Å; H175-W221 AromaticContact CD2-CZ2 3.59Å; H175-W221 AromaticContact CD2-CZ3 3.64Å
176L65Low79.3Confident153 Ų15364 Ų6480%0.80134%0.343SS*.THydrogen-bonded Turntrans-130.756.7-169.8-140.884.3000111.8V174V174-L176 VanDerWaalsContact C-N 3.26Å; V174-L176 PolarHBondContact O-N 3.16Å
177S54.6Low79Confident39 Ų3966.2 Ų66.227%0.27335%0.354SS..  trans-78.6137.7174.9-175.80000111.2M179S177-M179 PolarHBondContact O-N 3.03Å; S177-M179 VanDerWaalsContact O-N 3.09Å
178S57.3Low78.8Confident106 Ų10668.8 Ų68.874%0.74137%0.366SS*.  trans-70.299.3167.459.90000109
179M60.6Low78.5Confident76 Ų7672.3 Ų72.337%0.37438%0.384SS..  trans-70.3129.5-169.5-73.1165.4-177.600113.2L129 S177 Q223L129-M179 HydrophobicContact CD1-CE 3.81Å; L129-M179 HydrophobicContact CD2-CE 4.37Å; L129-M179 HydrophobicContact CG-CE 4.03Å; S177-M179 PolarHBondContact O-N 3.03Å; S177-M179 VanDerWaalsContact O-N 3.09Å; M179-Q223 VanDerWaalsContact CE-NE2 3.26Å; M179-Q223 PolarHBondContact SD-NE2 3.44Å; M179-Q223 PolarHBondContact SD-OE1 2.79Å
180V69Low78.2Confident70 Ų7072.4 Ų72.442%0.42438%0.384SS..  trans-116.8133.1169-170.20000108.5K182 D183V180-K182 HydrophobicContact CG1-CB 4.24Å; V180-K182 HydrophobicContact CG1-CG 4.3Å; V180-K182 PolarHBondContact O-N 3.2Å; V180-D183 PolarHBondContact O-N 2.77Å
181P75.5Confident77.9Confident57 Ų5773.5 Ų73.537%0.3740%0.395SS..G310 helixtrans-53.9-21.1179.3-28.534.5000115.2W124 F126 D183W124-P181 HydrophobicContact CD2-CB 4.39Å; W124-P181 HydrophobicContact CH2-CB 4.1Å; W124-P181 HydrophobicContact CZ2-CB 3.83Å; W124-P181 HydrophobicContact CZ3-CB 4.5Å; F126-P181 HydrophobicContact CZ-CG 4.34Å; P181-D183 VanDerWaalsContact C-N 3.28Å; P181-D183 PolarHBondContact O-N 3.37Å
182K75.2Confident77.1Confident189 Ų18974.8 Ų74.882%0.82240%0.4SS*.G310 helixtrans-70.2-18.6179.1-66-175.1178.8-179.10114.4V180 F184V180-K182 HydrophobicContact CG1-CB 4.24Å; V180-K182 HydrophobicContact CG1-CG 4.3Å; V180-K182 PolarHBondContact O-N 3.2Å; K182-F184 VanDerWaalsContact C-N 3.3Å
183D82.7Confident76.3Confident76 Ų7682.2 Ų82.241%0.40643%0.434SS..G310 helixtrans-83.7-11.3-176.8-59.5-27.6000112.6Y170 V180 P181Y170-D183 HydrophobicContact CD2-CB 3.82Å; Y170-D183 WeakPolarHBondContact CD2-O 3.3Å; Y170-D183 HydrophobicContact CE2-CB 3.63Å; V180-D183 PolarHBondContact O-N 2.77Å; P181-D183 VanDerWaalsContact C-N 3.28Å; P181-D183 PolarHBondContact O-N 3.37Å
184F86Confident75.7Confident16 Ų1680.9 Ų80.97%0.0743%0.425CS..  trans-78.5137.1179.8-77.3-97.1000111.5W124 F126 L168 Y170 K182 Q223 A225W124-F184 HydrophobicContact CZ3-CB 4.39Å; W124-F184 HydrophobicContact CZ3-CG 4.47Å; F126-F184 HydrophobicContact CD1-CE1 4.29Å; F126-F184 AromaticContact CD1-CE2 3.94Å; F126-F184 HydrophobicContact CD1-CE2 3.94Å; F126-F184 AromaticContact CD1-CZ 3.65Å; F126-F184 HydrophobicContact CD1-CZ 3.65Å; F126-F184 HydrophobicContact CE1-CD2 4.34Å; F126-F184 AromaticContact CE1-CE2 3.78Å; F126-F184 HydrophobicContact CE1-CE2 3.78Å; F126-F184 AromaticContact CE1-CZ 3.98Å; F126-F184 HydrophobicContact CE1-CZ 3.98Å; L168-F184 HydrophobicContact CB-CB 3.85Å; L168-F184 HydrophobicContact CB-CD1 4.17Å; L168-F184 HydrophobicContact CB-CG 4.45Å; L168-F184 HydrophobicContact CD2-CB 3.99Å; Y170-F184 VanDerWaalsContact CB-CE1 3.42Å; Y170-F184 HydrophobicContact CG-CZ 4.4Å; K182-F184 VanDerWaalsContact C-N 3.3Å; F184-Q223 HydrophobicContact CE1-CB 4.46Å; F184-Q223 HydrophobicContact CE1-CG 4.48Å; F184-Q223 HydrophobicContact CZ-CG 4.44Å; F184-A225 HydrophobicContact CD1-CB 3.62Å; F184-A225 HydrophobicContact CE1-CB 3.5Å; F184-A225 VanDerWaalsContact CE1-CB 3.5Å; F184-A225 HydrophobicContact CG-CB 4.36Å; F184-A225 HydrophobicContact CZ-CB 4.14Å
185T86.4Confident75Confident74 Ų7478.1 Ų78.145%0.45442%0.415SS..EExtended strand (participates in β ladder)trans-104.4136.7176.656.30000110.5L168 A169 L187L168-T185 CarbonylContact C-O 3.55Å; L168-T185 WeakPolarHBondContact CA-O 3.46Å; L168-T185 WeakPolarHBondContact CB-O 3.47Å; A169-T185 PolarHBondContact N-O 2.78Å; A169-T185 PolarHBondContact O-N 3.05Å; A169-T185 PolarHBondContact O-OG1 3.05Å; T185-L187 PolarHBondContact O-N 2.86Å
186E85Confident75Confident121 Ų12180.7 Ų80.757%0.56543%0.427SS*.EExtended strand (participates in β ladder)trans-63.8121.7177.9-69178.3176.300110.2L168 R227L168-E186 HydrophobicContact CD2-CG 3.84Å; L168-E186 HydrophobicContact CG-CG 4.22Å; E186-R227 IonicContact OE1-CZ 3.21Å; E186-R227 IonicContact OE1-NH1 2.75Å; E186-R227 IonicContact OE1-NH2 3.1Å; E186-R227 PolarHBondContact OE1-NH2 3.06Å
187L83.5Confident74.9Confident54 Ų5478 Ų7828%0.28342%0.421SS..EExtended strand (participates in β ladder)trans-99.3-49.4-178.2177.174.7000110.7I167 A169 T185 I213 I215I167-L187 HydrophobicContact CG2-CD2 4.12Å; I167-L187 WeakPolarHBondContact O-CA 3.14Å; I167-L187 WeakPolarHBondContact O-CB 3.42Å; I167-L187 PolarHBondContact O-N 2.94Å; A169-L187 HydrophobicContact CB-CB 4.33Å; A169-L187 HydrophobicContact CB-CD2 4.49Å; T185-L187 PolarHBondContact O-N 2.86Å; L187-I213 HydrophobicContact CD2-CG2 3.9Å; L187-I213 HydrophobicContact CG-CG2 4.13Å; L187-I215 HydrophobicContact CD1-CG1 3.99Å; L187-I215 HydrophobicContact CD1-CG2 4.22Å; L187-I215 HydrophobicContact CD2-CD1 3.41Å; L187-I215 VanDerWaalsContact CD2-CD1 3.41Å; L187-I215 HydrophobicContact CD2-CG1 3.54Å; L187-I215 HydrophobicContact CG-CG1 4.37Å
188H87.6Confident75.1Confident54 Ų5478.5 Ų78.525%0.2542%0.418CS..EExtended strand (participates in β ladder)trans-156.4151.6-177.2-164.677000110.6I167 E194 I213I167-H188 WeakPolarHBondContact CA-O 3.46Å; I167-H188 HydrophobicContact CB-CB 4.44Å; I167-H188 WeakPolarHBondContact CB-O 3.33Å; I167-H188 PolarHBondContact N-O 3Å; I167-H188 PolarHBondContact O-N 2.81Å; I167-H188 VanDerWaalsContact O-N 3.12Å; H188-E194 IonicContact CD2-OE2 3.4Å; H188-E194 IonicContact CE1-OE1 2.87Å; H188-E194 PolarHBondContact CE1-OE1 2.82Å; H188-E194 IonicContact CE1-OE2 3.69Å; H188-E194 IonicContact NE2-OE1 3.14Å; H188-E194 PolarHBondContact NE2-OE1 2.9Å; H188-E194 IonicContact NE2-OE2 3.31Å; H188-E194 PolarHBondContact NE2-OE2 2.96Å; H188-I213 HydrophobicContact CB-CD1 3.84Å; H188-I213 HydrophobicContact CB-CG1 4.38Å; H188-I213 HydrophobicContact CB-CG2 4.39Å
189I86.6Confident75.1Confident77 Ų7778.4 Ų78.440%0.39541%0.413SS..EExtended strand (participates in β ladder)trans-115.6107.9175.5-59.8174.3000107.6H164 T191H164-I189 HydrophobicContact CB-CG2 3.68Å; I189-T191 HydrophobicContact CG2-CG2 4.47Å; I189-T191 PolarHBondContact O-N 3.47Å
190L85.3Confident74.8Confident3 Ų377.4 Ų77.42%0.01641%0.409CS..EExtended strand (participates in β ladder)trans-76.5121.6177.7-71.8-179.2000110.6I142 Y144 H164 L165 I167 V211I142-L190 HydrophobicContact CD1-CD1 4.25Å; Y144-L190 HydrophobicContact CD1-CD1 4.49Å; Y144-L190 HydrophobicContact CE1-CD1 4.4Å; Y144-L190 HydrophobicContact CE1-CD2 4.29Å; H164-L190 CarbonylContact C-O 3.52Å; H164-L190 WeakPolarHBondContact CA-O 3.33Å; L165-L190 HydrophobicContact CB-CB 4.32Å; L165-L190 HydrophobicContact CD2-CD1 4.42Å; L165-L190 PolarHBondContact N-O 3.48Å; L165-L190 PolarHBondContact O-N 2.58Å; I167-L190 HydrophobicContact CD1-CD1 3.53Å; I167-L190 HydrophobicContact CD1-CD2 4.18Å; I167-L190 HydrophobicContact CD1-CG 3.53Å; I167-L190 HydrophobicContact CG1-CD1 4.2Å; I167-L190 HydrophobicContact CG1-CG 4.11Å; L190-V211 HydrophobicContact CD2-CB 4.22Å; L190-V211 HydrophobicContact CD2-CG1 3.56Å; L190-V211 HydrophobicContact CD2-CG2 4.05Å
191T83.3Confident74.1Confident56 Ų5683.8 Ų83.834%0.34444%0.435SS..EExtended strand (participates in β ladder)trans-106.8166.7178.365.90000112.7Y144 I189 Q193 E194Y144-T191 PolarHBondContact OH-O 2.89Å; I189-T191 HydrophobicContact CG2-CG2 4.47Å; I189-T191 PolarHBondContact O-N 3.47Å; T191-Q193 PolarHBondContact O-N 2.85Å; T191-E194 PolarHBondContact O-N 2.79Å; T191-E194 WeakPolarHBondContact OG1-CB 3.48Å
192F74.4Confident72.9Confident53 Ų5388 Ų8823%0.23245%0.453CS..SBendtrans-63.3-30.6-177.5171-101.1000111.8M146 E163 K209M146-F192 HydrophobicContact CB-CD2 4.24Å; M146-F192 HydrophobicContact CE-CB 3.74Å; M146-F192 HydrophobicContact CG-CD2 4.29Å; M146-F192 WeakPolarHBondContact O-CD2 3.3Å; M146-F192 WeakPolarHBondContact O-CE2 3.28Å; E163-F192 HydrophobicContact CB-CB 4.28Å; E163-F192 PolarHBondContact O-N 2.83Å; F192-K209 PolarHBondContact O-NZ 3.17Å
193Q69Low71.6Confident166 Ų16679.5 Ų79.578%0.77642%0.417SS*.SBendtrans-89.2-20.5-176.1-66.2-173.3-16.500113.7T191 K209T191-Q193 PolarHBondContact O-N 2.85Å; Q193-K209 PolarHBondContact O-NZ 3.5Å
194E72Confident70.1Confident63 Ų6383.4 Ų83.429%0.29444%0.443SS..  trans-73.9154.9-174.6-166.6168.3-158.900113.4Y144 H188 T191 K209Y144-E194 PolarHBondContact OH-O 2.89Å; H188-E194 IonicContact CD2-OE2 3.4Å; H188-E194 IonicContact CE1-OE1 2.87Å; H188-E194 PolarHBondContact CE1-OE1 2.82Å; H188-E194 IonicContact CE1-OE2 3.69Å; H188-E194 IonicContact NE2-OE1 3.14Å; H188-E194 PolarHBondContact NE2-OE1 2.9Å; H188-E194 IonicContact NE2-OE2 3.31Å; H188-E194 PolarHBondContact NE2-OE2 2.96Å; T191-E194 PolarHBondContact O-N 2.79Å; T191-E194 WeakPolarHBondContact OG1-CB 3.48Å; E194-K209 WeakPolarHBondContact O-CD 3.49Å
195G64.1Low68.4Low31 Ų3185.4 Ų85.432%0.3246%0.46SS..SBendtrans95.7151.1179.100000114.4R210G195-R210 VanDerWaalsContact CA-O 3.29Å; G195-R210 WeakPolarHBondContact CA-O 3.37Å
196E72.3Confident67Low160 Ų16086.7 Ų86.775%0.74847%0.471SS*.EExtended strand (participates in β ladder)trans-81.4139.7175.7-63.5-174.5167.800109.8F198 K209 R210E196-F198 PolarHBondContact O-N 2.82Å; E196-K209 CarbonylContact O-C 3.6Å; E196-K209 WeakPolarHBondContact O-CA 3.39Å; E196-R210 PolarHBondContact N-O 3.19Å; E196-R210 PolarHBondContact O-N 3.34Å
197S61.4Low66.2Low98 Ų9882.9 Ų82.969%0.68546%0.459SS*.EExtended strand (participates in β ladder)trans-63.5118.5174.755.20000109.3
198F59.4Low66Low48 Ų4880.5 Ų80.521%0.21145%0.446CS..  trans-109.7120.3-177.8179-108.2000110.1T143 E196 N200 L208 R210T143-F198 HydrophobicContact CG2-CD1 4.43Å; E196-F198 PolarHBondContact O-N 2.82Å; F198-N200 HydrophobicContact CE1-CB 3.97Å; F198-L208 PolarHBondContact N-O 3.07Å; F198-R210 HydrophobicContact CB-CB 4.02Å; F198-R210 VanDerWaalsContact CD2-NH2 3.28Å; F198-R210 VanDerWaalsContact CE1-NH2 3.33Å; F198-R210 HydrophobicContact CG-CB 4.5Å
199T57.1Low65.9Low104 Ų10480.2 Ų80.264%0.63844%0.444SS*.  trans-100.2114.7174.450.60000108.8
200N54.5Low65.8Low55 Ų5580.4 Ų80.429%0.29444%0.44SS..  trans-82.2146172.8-135.5-1.8000109F198 L202 I203F198-N200 HydrophobicContact CE1-CB 3.97Å; N200-L202 PolarHBondContact O-N 2.9Å; N200-I203 HydrophobicContact CB-CB 4.21Å; N200-I203 HydrophobicContact CB-CD1 4.05Å; N200-I203 HydrophobicContact CB-CG1 4.14Å; N200-I203 PolarHBondContact O-N 2.85Å
201E55.1Low66Low204 Ų20480.9 Ų80.995%0.95344%0.443SS*.THydrogen-bonded Turntrans-56-23-177.4-71.8-177.4164.800113.7
202L49.5Very low66.4Low146 Ų14681.6 Ų81.676%0.76445%0.447SS*.THydrogen-bonded Turntrans-96.6-10.8179.8-77.5131000115N200N200-L202 PolarHBondContact O-N 2.9Å
203I49.1Very low67.2Low10 Ų1079.7 Ų79.75%0.05144%0.439CS..  trans-121.6104.3-167.8-55.1175.3000109.4L59 T62 N200 S205 L208L59-I203 HydrophobicContact CD2-CD1 4.22Å; T62-I203 HydrophobicContact CG2-CG1 4.23Å; N200-I203 HydrophobicContact CB-CB 4.21Å; N200-I203 HydrophobicContact CB-CD1 4.05Å; N200-I203 HydrophobicContact CB-CG1 4.14Å; N200-I203 PolarHBondContact O-N 2.85Å; I203-S205 VanDerWaalsContact CG2-OG 3.3Å; I203-S205 WeakPolarHBondContact CG2-OG 3.25Å; I203-S205 PolarHBondContact O-N 3.01Å; I203-L208 HydrophobicContact CD1-CD1 3.63Å
204T49.9Very low68.2Low158 Ų15875 Ų7597%0.96942%0.417SS*.  trans-75.5-7.3175.446.10000113.6
205S51.1Low69.1Low59 Ų5972.1 Ų72.141%0.41340%0.404SS..  trans-89.6115178.171.60000111.9I203 S207I203-S205 VanDerWaalsContact CG2-OG 3.3Å; I203-S205 WeakPolarHBondContact CG2-OG 3.25Å; I203-S205 PolarHBondContact O-N 3.01Å; S205-S207 PolarHBondContact O-N 3.35Å
206S56.6Low70.4Confident100 Ų10075.6 Ų75.670%0.69941%0.407SS*.THydrogen-bonded Turntrans-66.617-174.753.30000117
207S69.4Low71.2Confident42 Ų4268.8 Ų68.829%0.29438%0.377SS..THydrogen-bonded Turntrans-94.4-10.7-169.855.10000115.7Q145 S205Q145-S207 PolarHBondContact NE2-OG 2.92Å; Q145-S207 VanDerWaalsContact NE2-OG 3.11Å; Q145-S207 PolarHBondContact OE1-OG 3.34Å; S205-S207 PolarHBondContact O-N 3.35Å
208L78.8Confident72.4Confident3 Ų371.9 Ų71.92%0.01638%0.378CS..  trans-75.6133.3176.7-71.4172.7000110.2Q145 F198 I203 D236Q145-L208 HydrophobicContact CB-CD2 4.28Å; F198-L208 PolarHBondContact N-O 3.07Å; I203-L208 HydrophobicContact CD1-CD1 3.63Å; L208-D236 HydrophobicContact CD2-CB 4.06Å
209K84.2Confident73.8Confident49 Ų4973.7 Ų73.721%0.21339%0.388CS..EExtended strand (participates in β ladder)trans-115.8147175-61.8-162.8179.3-1740110.1T143 Y144 F192 Q193 E194 E196T143-K209 CarbonylContact C-O 3.57Å; T143-K209 VanDerWaalsContact CA-O 3.28Å; T143-K209 WeakPolarHBondContact CA-O 3.32Å; Y144-K209 HydrophobicContact CD1-CB 4.44Å; Y144-K209 HydrophobicContact CE1-CB 4.11Å; Y144-K209 PolarHBondContact N-O 2.75Å; Y144-K209 PolarHBondContact O-N 3.38Å; F192-K209 PolarHBondContact O-NZ 3.17Å; Q193-K209 PolarHBondContact O-NZ 3.5Å; E194-K209 WeakPolarHBondContact O-CD 3.49Å; E196-K209 CarbonylContact O-C 3.6Å; E196-K209 WeakPolarHBondContact O-CA 3.39Å
210R85.7Confident75.3Confident80 Ų8074 Ų7430%0.30238%0.381SS..EExtended strand (participates in β ladder)trans-118.1133.8174.7-175.1-176.1-68.3-157.81.8110.1E141 I142 T143 G195 E196 F198E141-R210 HydrophobicContact CG-CG 4.11Å; E141-R210 WeakPolarHBondContact OE1-CD 3.41Å; E141-R210 IonicContact OE1-CZ 2.83Å; E141-R210 IonicContact OE1-NE 3.3Å; E141-R210 PolarHBondContact OE1-NE 3.07Å; E141-R210 IonicContact OE1-NH1 2.97Å; E141-R210 PolarHBondContact OE1-NH1 2.78Å; E141-R210 IonicContact OE1-NH2 3.68Å; I142-R210 WeakPolarHBondContact O-CA 3.43Å; T143-R210 HydrophobicContact CG2-CB 4.33Å; T143-R210 HydrophobicContact CG2-CG 4.23Å; G195-R210 VanDerWaalsContact CA-O 3.29Å; G195-R210 WeakPolarHBondContact CA-O 3.37Å; E196-R210 PolarHBondContact N-O 3.19Å; E196-R210 PolarHBondContact O-N 3.34Å; F198-R210 HydrophobicContact CB-CB 4.02Å; F198-R210 VanDerWaalsContact CD2-NH2 3.28Å; F198-R210 VanDerWaalsContact CE1-NH2 3.33Å; F198-R210 HydrophobicContact CG-CB 4.5Å
211V89.7Confident76.9Confident14 Ų1473.5 Ų73.59%0.08538%0.375CS..EExtended strand (participates in β ladder)trans-132140.5174.566.70000108.6E141 I142 Y144 L190 I213E141-V211 WeakPolarHBondContact CA-O 3.42Å; I142-V211 HydrophobicContact CB-CG1 3.91Å; I142-V211 PolarHBondContact N-O 2.98Å; I142-V211 PolarHBondContact O-N 3.03Å; Y144-V211 HydrophobicContact CD1-CG1 4.26Å; Y144-V211 HydrophobicContact CE1-CB 4.33Å; Y144-V211 HydrophobicContact CE1-CG1 3.9Å; L190-V211 HydrophobicContact CD2-CB 4.22Å; L190-V211 HydrophobicContact CD2-CG1 3.56Å; L190-V211 HydrophobicContact CD2-CG2 4.05Å; V211-I213 HydrophobicContact CG2-CG1 4.37Å
212T90.6Very high78.6Confident71 Ų7163.8 Ų63.844%0.43633%0.33SS..EExtended strand (participates in β ladder)trans-122.7121.8176.6-540000108.5Y139 L140Y139-T212 HydrophobicContact CD1-CG2 3.95Å; L140-T212 CarbonylContact O-C 3.53Å; L140-T212 WeakPolarHBondContact O-CA 3.44Å
213I90.9Very high80.5Confident13 Ų1357.1 Ų57.17%0.06729%0.294CS..EExtended strand (participates in β ladder)trans-111.6136.9-178.4-57.9160.5000107.9Y139 L140 I142 I167 L187 H188 V211 I215Y139-I213 CarbonylContact C-O 3.52Å; Y139-I213 WeakPolarHBondContact CA-O 3.43Å; L140-I213 HydrophobicContact CB-CB 4.37Å; L140-I213 HydrophobicContact CD2-CD1 4.49Å; L140-I213 PolarHBondContact N-O 2.84Å; L140-I213 PolarHBondContact O-N 2.95Å; I142-I213 HydrophobicContact CD1-CD1 4.41Å; I167-I213 HydrophobicContact CD1-CD1 3.4Å; L187-I213 HydrophobicContact CD2-CG2 3.9Å; L187-I213 HydrophobicContact CG-CG2 4.13Å; H188-I213 HydrophobicContact CB-CD1 3.84Å; H188-I213 HydrophobicContact CB-CG1 4.38Å; H188-I213 HydrophobicContact CB-CG2 4.39Å; V211-I213 HydrophobicContact CG2-CG1 4.37Å; I213-I215 HydrophobicContact CG2-CG1 4.48Å
214Q90.8Very high82.6Confident67 Ų6756.6 Ų56.631%0.31329%0.292SS..EExtended strand (participates in β ladder)trans-102.6130175.3-65.5-169.417.300110.2N137 Y139 N263N137-Q214 PolarHBondContact ND2-OE1 3.25Å; N137-Q214 VanDerWaalsContact ND2-OE1 3.08Å; Y139-Q214 HydrophobicContact CD1-CG 3.81Å; Y139-Q214 HydrophobicContact CE1-CG 3.66Å; Q214-N263 PolarHBondContact OE1-OD1 2.8Å
215I91.2Very high84.6Confident3 Ų349.1 Ų49.12%0.01525%0.246CC..EExtended strand (participates in β ladder)trans-119.3128.3-178.1-49.5176.9000107.8N137 V138 L140 L187 I213 P217 L222 I224N137-I215 WeakPolarHBondContact CA-O 3.5Å; N137-I215 PolarHBondContact OD1-O 3.19Å; V138-I215 HydrophobicContact CB-CB 4.38Å; V138-I215 PolarHBondContact N-O 3Å; V138-I215 PolarHBondContact O-N 3.07Å; L140-I215 HydrophobicContact CB-CD1 4.34Å; L187-I215 HydrophobicContact CD1-CG1 3.99Å; L187-I215 HydrophobicContact CD1-CG2 4.22Å; L187-I215 HydrophobicContact CD2-CD1 3.41Å; L187-I215 VanDerWaalsContact CD2-CD1 3.41Å; L187-I215 HydrophobicContact CD2-CG1 3.54Å; L187-I215 HydrophobicContact CG-CG1 4.37Å; I213-I215 HydrophobicContact CG2-CG1 4.48Å; I215-P217 VanDerWaalsContact O-CD 3.32Å; I215-P217 WeakPolarHBondContact O-CD 3.32Å; I215-L222 HydrophobicContact CB-CD2 4.48Å; I215-L222 HydrophobicContact CD1-CD2 4.29Å; I215-L222 HydrophobicContact CG2-CD1 4.15Å; I215-L222 HydrophobicContact CG2-CD2 4.07Å; I215-I224 HydrophobicContact CD1-CD1 4.13Å; I215-I224 HydrophobicContact CD1-CG1 4.5Å
216R91.2Very high86.6Confident103 Ų10346.3 Ų46.339%0.38923%0.226SC..  trans-90.5110.4168.3-169-174.4-168.488.1-4.9109.3H171 K218 H262 E265H171-R216 PolarHBondContact CE1-O 3.44Å; R216-K218 PolarHBondContact O-N 3.13Å; R216-H262 VanDerWaalsContact NH1-CB 3.33Å; R216-E265 IonicContact CZ-OE1 3.74Å; R216-E265 IonicContact CZ-OE2 2.93Å; R216-E265 IonicContact NH1-OE1 3.73Å; R216-E265 PolarHBondContact NH1-OE1 2.99Å; R216-E265 IonicContact NH1-OE2 3.46Å; R216-E265 PolarHBondContact NH1-OE2 3.45Å; R216-E265 IonicContact NH2-OE1 2.73Å; R216-E265 PolarHBondContact NH2-OE1 3.41Å; R216-E265 IonicContact NH2-OE2 2.71Å; R216-E265 PolarHBondContact NH2-OE2 3.02Å; R216-E265 VanDerWaalsContact NH2-OE2 3.1Å
217P89.8Confident88.1Confident17 Ų1743.5 Ų43.511%0.1120%0.2CC..  trans-62.8131.7174.5-20.134.8000110.5T132 I135 L136 V138 I215T132-P217 HydrophobicContact CG2-CB 4.06Å; T132-P217 HydrophobicContact CG2-CG 3.92Å; I135-P217 HydrophobicContact CG2-CG 4.49Å; I135-P217 WeakPolarHBondContact O-CG 3.42Å; L136-P217 WeakPolarHBondContact O-CD 3.46Å; V138-P217 HydrophobicContact CG2-CG 3.85Å; I215-P217 VanDerWaalsContact O-CD 3.32Å; I215-P217 WeakPolarHBondContact O-CD 3.32Å
218K86.2Confident89Confident164 Ų16441.5 Ų41.571%0.71319%0.186SC*.  trans-98.5-16.9177.7-64.7179-178.4171.30113.4H171 R216H171-K218 HydrophobicContact CB-CB 4.3Å; H171-K218 PolarHBondContact ND1-N 2.91Å; R216-K218 PolarHBondContact O-N 3.13Å
219M88.3Confident89.2Confident85 Ų8542.4 Ų42.442%0.41919%0.191SC..SBendtrans-142.7177.4-173.3-65.5-173.3179.200109.8T132 H171 T172 D173 W221T132-M219 PolarHBondContact OG1-O 3.42Å; H171-M219 VanDerWaalsContact C-SD 3.53Å; H171-M219 HydrophobicContact CB-CB 4.07Å; H171-M219 HydrophobicContact CB-CG 4.1Å; H171-M219 HydrophobicContact CB-SD 4.29Å; T172-M219 WeakPolarHBondContact CA-SD 3.23Å; T172-M219 WeakPolarHBondContact O-CB 3.47Å; D173-M219 WeakPolarHBondContact OD1-CB 3.38Å; M219-W221 VanDerWaalsContact C-N 3.28Å; M219-W221 PolarHBondContact O-N 2.95Å
220K88.1Confident89Confident112 Ų11240.7 Ų40.749%0.48719%0.188SC..SBendtrans-65.3-23.3-176.4-72.2-175.2-178.71790115.6T132 D133 T172 D173T132-K220 PolarHBondContact N-O 3.18Å; T132-K220 VanDerWaalsContact OG1-C 3.29Å; T132-K220 PolarHBondContact OG1-O 2.72Å; D133-K220 PolarHBondContact N-O 3.1Å; D133-K220 WeakPolarHBondContact OD1-CB 2.97Å; D133-K220 WeakPolarHBondContact OD1-CD 3.45Å; D133-K220 WeakPolarHBondContact OD1-CG 3.27Å; T172-K220 PolarHBondContact O-N 3.39Å; D173-K220 WeakPolarHBondContact OD1-CG 3.23Å; D173-K220 PolarHBondContact OD1-N 2.93Å
221W88.3Confident88.9Confident44 Ų4437 Ų3717%0.16717%0.174CC..EExtended strand (participates in β ladder)trans-130.8142.3179.5-54.186.8000110.7L129 Y130 K131 H171 T172 H175 M219L129-W221 HydrophobicContact CB-CE3 4.22Å; L129-W221 HydrophobicContact CD2-CB 3.94Å; Y130-W221 CarbonylContact O-C 3.6Å; Y130-W221 VanDerWaalsContact O-CA 3.26Å; Y130-W221 WeakPolarHBondContact O-CA 3.34Å; K131-W221 HydrophobicContact CB-CE3 3.84Å; K131-W221 HydrophobicContact CB-CH2 3.89Å; K131-W221 HydrophobicContact CB-CZ3 3.47Å; K131-W221 VanDerWaalsContact CB-CZ3 3.47Å; K131-W221 HydrophobicContact CD-CH2 3.8Å; K131-W221 HydrophobicContact CD-CZ2 4.21Å; K131-W221 HydrophobicContact CD-CZ3 4.28Å; K131-W221 HydrophobicContact CG-CE3 4.2Å; K131-W221 HydrophobicContact CG-CH2 3.76Å; K131-W221 HydrophobicContact CG-CZ2 4.09Å; K131-W221 HydrophobicContact CG-CZ3 3.85Å; H171-W221 WeakPolarHBondContact CA-O 3.31Å; T172-W221 HydrophobicContact CG2-CB 3.88Å; T172-W221 PolarHBondContact N-O 3.02Å; T172-W221 WeakPolarHBondContact O-CA 3.39Å; T172-W221 WeakPolarHBondContact O-CB 3.21Å; T172-W221 PolarHBondContact O-N 2.87Å; H175-W221 HydrophobicContact CB-CZ2 4.46Å; H175-W221 AromaticContact CD2-CE2 4Å; H175-W221 AromaticContact CD2-CH2 3.4Å; H175-W221 WeakPolarHBondContact CD2-CH2 3.46Å; H175-W221 AromaticContact CD2-CZ2 3.59Å; H175-W221 AromaticContact CD2-CZ3 3.64Å; M219-W221 VanDerWaalsContact C-N 3.28Å; M219-W221 PolarHBondContact O-N 2.95Å
222L91.1Very high88.7Confident0 Ų037 Ų370%017%0.174CC..EExtended strand (participates in β ladder)trans-122.9132.2177.8173.265.4000109.2Y130 T132 V138 A169 I215Y130-L222 WeakPolarHBondContact CB-O 3.31Å; Y130-L222 WeakPolarHBondContact CD2-O 3.42Å; Y130-L222 PolarHBondContact N-O 3.21Å; Y130-L222 PolarHBondContact O-N 2.94Å; T132-L222 HydrophobicContact CG2-CB 3.7Å; T132-L222 HydrophobicContact CG2-CD2 4.41Å; V138-L222 HydrophobicContact CB-CD2 4.17Å; V138-L222 HydrophobicContact CG1-CD2 4.26Å; V138-L222 HydrophobicContact CG2-CD2 4.09Å; A169-L222 HydrophobicContact CB-CD1 4.08Å; I215-L222 HydrophobicContact CB-CD2 4.48Å; I215-L222 HydrophobicContact CD1-CD2 4.29Å; I215-L222 HydrophobicContact CG2-CD1 4.15Å; I215-L222 HydrophobicContact CG2-CD2 4.07Å
223Q90.8Very high88.6Confident5 Ų533.6 Ų33.62%0.02315%0.154CC..EExtended strand (participates in β ladder)trans-126145.7170.6-163.1-177.518.400109.8S127 L129 A169 Y170 M179 F184S127-Q223 VanDerWaalsContact O-CG 3.28Å; S127-Q223 WeakPolarHBondContact O-CG 3.38Å; S127-Q223 PolarHBondContact O-NE2 3.41Å; S127-Q223 WeakPolarHBondContact OG-CG 3.3Å; L129-Q223 HydrophobicContact CD2-CB 3.9Å; L129-Q223 HydrophobicContact CG-CB 4.49Å; A169-Q223 CarbonylContact C-O 3.41Å; A169-Q223 WeakPolarHBondContact CA-O 3.45Å; Y170-Q223 PolarHBondContact N-O 2.86Å; Y170-Q223 PolarHBondContact O-N 2.8Å; M179-Q223 VanDerWaalsContact CE-NE2 3.26Å; M179-Q223 PolarHBondContact SD-NE2 3.44Å; M179-Q223 PolarHBondContact SD-OE1 2.79Å; F184-Q223 HydrophobicContact CE1-CB 4.46Å; F184-Q223 HydrophobicContact CE1-CG 4.48Å; F184-Q223 HydrophobicContact CZ-CG 4.44Å
224I92.5Very high88.5Confident0 Ų034.6 Ų34.60%016%0.159CC..EExtended strand (participates in β ladder)trans-114.3141.7-179.3-55.1176.6000108S127 Y130 L140 I167 L168 I215S127-I224 WeakPolarHBondContact CB-O 3.16Å; S127-I224 PolarHBondContact N-O 3.42Å; S127-I224 PolarHBondContact OG-N 3.41Å; S127-I224 PolarHBondContact OG-O 2.91Å; Y130-I224 HydrophobicContact CD2-CD1 4.39Å; Y130-I224 HydrophobicContact CE2-CD1 3.74Å; Y130-I224 HydrophobicContact CE2-CG1 4Å; L140-I224 HydrophobicContact CD1-CD1 3.57Å; L140-I224 HydrophobicContact CD2-CD1 3.87Å; L140-I224 HydrophobicContact CD2-CG2 4.18Å; L140-I224 HydrophobicContact CG-CD1 4.23Å; I167-I224 HydrophobicContact CG2-CG2 3.94Å; L168-I224 CarbonylContact O-C 3.52Å; L168-I224 WeakPolarHBondContact O-CA 3.47Å; I215-I224 HydrophobicContact CD1-CD1 4.13Å; I215-I224 HydrophobicContact CD1-CG1 4.5Å
225A91.3Very high88.5Confident0 Ų031.4 Ų31.40%014%0.144CC..EExtended strand (participates in β ladder)trans-132.3141.9173.400000111W124 L125 F126 L168 F184W124-A225 HydrophobicContact CE3-CB 4.04Å; W124-A225 HydrophobicContact CZ3-CB 4.15Å; L125-A225 CarbonylContact O-C 3.4Å; L125-A225 VanDerWaalsContact O-CA 3.27Å; L125-A225 WeakPolarHBondContact O-CA 3.46Å; F126-A225 HydrophobicContact CD1-CB 3.61Å; F126-A225 HydrophobicContact CE1-CB 3.97Å; L168-A225 PolarHBondContact N-O 2.98Å; L168-A225 PolarHBondContact O-N 2.84Å; F184-A225 HydrophobicContact CD1-CB 3.62Å; F184-A225 HydrophobicContact CE1-CB 3.5Å; F184-A225 VanDerWaalsContact CE1-CB 3.5Å; F184-A225 HydrophobicContact CG-CB 4.36Å; F184-A225 HydrophobicContact CZ-CB 4.14Å
226F92.5Very high88.3Confident0 Ų032.4 Ų32.40%015%0.149CC..EExtended strand (participates in β ladder)trans-101.9126.6167.4-61.7-64.7000109W44 W54 W124 L125 I142 L165 D166 I167 I235 L238W44-F226 HydrophobicContact CH2-CD2 4.33Å; W44-F226 AromaticContact CH2-CE2 3.68Å; W44-F226 HydrophobicContact CH2-CE2 3.68Å; W44-F226 AromaticContact CZ3-CD2 3.81Å; W44-F226 HydrophobicContact CZ3-CD2 3.81Å; W44-F226 AromaticContact CZ3-CE2 3.63Å; W44-F226 HydrophobicContact CZ3-CE2 3.63Å; W54-F226 HydrophobicContact CH2-CB 4.11Å; W54-F226 HydrophobicContact CZ2-CB 3.76Å; W124-F226 CarbonylContact C-O 3.6Å; W124-F226 VanDerWaalsContact CA-O 3.26Å; W124-F226 WeakPolarHBondContact CA-O 3.5Å; L125-F226 HydrophobicContact CB-CB 4.25Å; L125-F226 HydrophobicContact CB-CD2 4.5Å; L125-F226 HydrophobicContact CD2-CD2 4.03Å; L125-F226 HydrophobicContact CG-CD2 4.37Å; L125-F226 PolarHBondContact N-O 3.34Å; L125-F226 PolarHBondContact O-N 2.97Å; I142-F226 HydrophobicContact CD1-CE1 3.87Å; I142-F226 HydrophobicContact CD1-CZ 3.93Å; L165-F226 HydrophobicContact CD1-CB 4.27Å; L165-F226 HydrophobicContact CD2-CB 4.48Å; L165-F226 HydrophobicContact CD2-CD1 3.9Å; L165-F226 HydrophobicContact CD2-CG 4.39Å; L165-F226 HydrophobicContact CG-CD1 4.38Å; D166-F226 WeakPolarHBondContact O-CA 3.19Å; I167-F226 HydrophobicContact CB-CD1 4.48Å; I167-F226 HydrophobicContact CB-CE1 4.41Å; I167-F226 HydrophobicContact CD1-CD1 4.5Å; I167-F226 HydrophobicContact CD1-CE1 3.87Å; I167-F226 HydrophobicContact CG1-CD1 3.85Å; I167-F226 HydrophobicContact CG1-CE1 3.69Å; I167-F226 HydrophobicContact CG2-CD1 4.44Å; I167-F226 HydrophobicContact CG2-CE1 4.1Å; F226-I235 HydrophobicContact CD2-CD1 4.15Å; F226-I235 HydrophobicContact CE2-CD1 3.98Å; F226-I235 HydrophobicContact CG-CD1 4.49Å; F226-I235 HydrophobicContact CZ-CD1 4.19Å; F226-L238 HydrophobicContact CE2-CD1 3.59Å; F226-L238 HydrophobicContact CZ-CD1 3.42Å; F226-L238 VanDerWaalsContact CZ-CD1 3.42Å
227R89.6Confident88.2Confident41 Ų4131.4 Ų31.416%0.15515%0.146CC..EExtended strand (participates in β ladder)trans-113.1112173.3177-175.373.8-167.1-3.9108.8E122 W124 D166 L168 E186E122-R227 HydrophobicContact CB-CG 4.49Å; W124-R227 HydrophobicContact CD2-CB 4.08Å; W124-R227 HydrophobicContact CD2-CG 4.2Å; W124-R227 HydrophobicContact CE3-CB 4.05Å; W124-R227 HydrophobicContact CH2-CB 4.17Å; W124-R227 HydrophobicContact CH2-CG 4.31Å; W124-R227 HydrophobicContact CZ2-CB 4.17Å; W124-R227 HydrophobicContact CZ2-CG 3.85Å; W124-R227 HydrophobicContact CZ3-CB 4.09Å; D166-R227 HydrophobicContact CB-CB 4.19Å; D166-R227 PolarHBondContact N-O 2.91Å; D166-R227 VanDerWaalsContact N-O 3.12Å; D166-R227 PolarHBondContact O-N 3.24Å; D166-R227 IonicContact OD2-CZ 2.7Å; D166-R227 VanDerWaalsContact OD2-CZ 3.24Å; D166-R227 IonicContact OD2-NE 3.88Å; D166-R227 PolarHBondContact OD2-NE 3.4Å; D166-R227 IonicContact OD2-NH2 3.82Å; D166-R227 PolarHBondContact OD2-NH2 2.83Å; L168-R227 HydrophobicContact CD1-CB 3.6Å; E186-R227 IonicContact OE1-CZ 3.21Å; E186-R227 IonicContact OE1-NH1 2.75Å; E186-R227 IonicContact OE1-NH2 3.1Å; E186-R227 PolarHBondContact OE1-NH2 3.06Å
228D88.4Confident88.3Confident0 Ų030.6 Ų30.60%014%0.14CC..EExtended strand (participates in β ladder)trans-102138.4171.7178.956.5000111.5W54 I69 F123 L165 G230 S231W54-D228 HydrophobicContact CZ2-CB 4.15Å; I69-D228 HydrophobicContact CD1-CB 4.16Å; I69-D228 HydrophobicContact CG2-CB 3.98Å; F123-D228 HydrophobicContact CB-CB 4.46Å; F123-D228 PolarHBondContact N-O 3.41Å; F123-D228 PolarHBondContact O-N 2.99Å; L165-D228 HydrophobicContact CD1-CB 3.86Å; D228-G230 PolarHBondContact OD1-N 2.9Å; D228-G230 PolarHBondContact OD2-N 3.07Å; D228-G230 VanDerWaalsContact OD2-N 3.14Å; D228-S231 WeakPolarHBondContact OD1-CA 3.3Å; D228-S231 WeakPolarHBondContact OD1-CB 3.47Å; D228-S231 PolarHBondContact OD1-N 3.49Å; D228-S231 PolarHBondContact OD1-OG 2.74Å; D228-S231 PolarHBondContact OD2-N 3.12Å
229N81.4Confident88.7Confident22 Ų2223.2 Ų23.212%0.11811%0.109CC..SBendtrans-12725-178.3-76.4-19.9000112.5E122 K162E122-N229 WeakPolarHBondContact CA-OD1 3.42Å; E122-N229 WeakPolarHBondContact CB-OD1 3.41Å; E122-N229 WeakPolarHBondContact CG-OD1 3.47Å; K162-N229 HydrophobicContact CD-CB 3.83Å
230G80.7Confident88.9Confident14 Ų1419.2 Ų19.214%0.1449%0.089CC..SBendtrans121.725.1179.300000114.9K162 D228K162-G230 PolarHBondContact N-O 3.23Å; D228-G230 PolarHBondContact OD1-N 2.9Å; D228-G230 PolarHBondContact OD2-N 3.07Å; D228-G230 VanDerWaalsContact OD2-N 3.14Å
231S84.6Confident89.2Confident2 Ų215 Ų151%0.0147%0.07CC..  trans-93.1163.1171.878.10000112.2K162 H164 D228 V233K162-S231 WeakPolarHBondContact O-CA 3.1Å; K162-S231 WeakPolarHBondContact O-CB 3.4Å; H164-S231 WeakPolarHBondContact O-CB 3.35Å; H164-S231 PolarHBondContact O-OG 3.25Å; D228-S231 WeakPolarHBondContact OD1-CA 3.3Å; D228-S231 WeakPolarHBondContact OD1-CB 3.47Å; D228-S231 PolarHBondContact OD1-N 3.49Å; D228-S231 PolarHBondContact OD1-OG 2.74Å; D228-S231 PolarHBondContact OD2-N 3.12Å; S231-V233 WeakPolarHBondContact OG-CG2 3.33Å
232C85.7Confident89.5Confident13 Ų1313.5 Ų13.59%0.0887%0.065CC..  trans-116.192.1177.4-172.30000109.4I69 C70 M146 K147 L152I69-C232 CarbonylContact O-C 3.53Å; I69-C232 WeakPolarHBondContact O-CA 3.36Å; C70-C232 HydrophobicContact CB-CB 3.94Å; C70-C232 WeakPolarHBondContact CB-SG 3.45Å; C70-C232 WeakPolarHBondContact SG-CB 3.41Å; C70-C232 CovalentContact SG-SG 2.04Å; C70-C232 PolarHBondContact SG-SG 2.81Å; M146-C232 WeakPolarHBondContact CA-O 3.25Å; M146-C232 WeakPolarHBondContact CG-O 3.43Å; K147-C232 HydrophobicContact CB-CB 4.36Å; K147-C232 PolarHBondContact N-O 3.4Å; L152-C232 HydrophobicContact CD1-CB 3.73Å
233V88.5Confident89.6Confident1 Ų114.6 Ų14.61%0.0067%0.071CC..EExtended strand (participates in β ladder)trans-122.7137.2-172.2-1790000111G68 I69 Y144 M146 L165 S231 I235G68-V233 CarbonylContact C-O 3.53Å; G68-V233 WeakPolarHBondContact CA-O 3.02Å; I69-V233 PolarHBondContact N-O 2.93Å; I69-V233 PolarHBondContact O-N 3.34Å; Y144-V233 HydrophobicContact CD2-CG1 4.41Å; M146-V233 HydrophobicContact CB-CG2 4.1Å; M146-V233 HydrophobicContact CG-CG2 3.79Å; M146-V233 HydrophobicContact SD-CG2 3.28Å; M146-V233 WeakPolarHBondContact SD-CG2 2.88Å; L165-V233 HydrophobicContact CB-CG2 4.29Å; L165-V233 HydrophobicContact CD2-CG1 4.17Å; S231-V233 WeakPolarHBondContact OG-CG2 3.33Å; V233-I235 HydrophobicContact CG1-CG1 4.12Å
234L88.3Confident89.7Confident33 Ų3314.3 Ų14.317%0.1737%0.069CC..EExtended strand (participates in β ladder)trans-115.3123.4167.7-59.3176.9000108.2Q57 L59 V66 Y144 Q145Q57-L234 HydrophobicContact CB-CD2 4.21Å; Q57-L234 HydrophobicContact CG-CD2 4.37Å; Q57-L234 VanDerWaalsContact OE1-CD2 3.3Å; L59-L234 HydrophobicContact CD1-CD1 4.27Å; V66-L234 HydrophobicContact CG2-CB 4.34Å; V66-L234 HydrophobicContact CG2-CD1 4.45Å; V66-L234 HydrophobicContact CG2-CD2 4.21Å; Y144-L234 CarbonylContact C-O 3.43Å; Y144-L234 WeakPolarHBondContact CA-O 3.48Å; Y144-L234 WeakPolarHBondContact CB-O 3.27Å; Q145-L234 PolarHBondContact N-O 3.29Å; Q145-L234 PolarHBondContact O-N 2.85Å
235I90.1Very high89.6Confident1 Ų114.3 Ų14.31%0.0057%0.069CC..EExtended strand (participates in β ladder)trans-99.9116.9171.8-53.4176.7000107.3W41 W54 Y67 I142 L165 F226 V233W41-I235 HydrophobicContact CH2-CB 4.13Å; W41-I235 HydrophobicContact CH2-CD1 4.4Å; W41-I235 HydrophobicContact CH2-CG2 3.69Å; W41-I235 HydrophobicContact CZ2-CB 4.17Å; W41-I235 HydrophobicContact CZ2-CG2 3.78Å; W54-I235 HydrophobicContact CH2-CD1 4Å; W54-I235 HydrophobicContact CZ3-CD1 3.84Å; W54-I235 HydrophobicContact CZ3-CG1 4.36Å; Y67-I235 PolarHBondContact N-O 3.04Å; Y67-I235 PolarHBondContact O-N 2.96Å; I142-I235 HydrophobicContact CG2-CG2 3.89Å; L165-I235 HydrophobicContact CD2-CD1 4.39Å; F226-I235 HydrophobicContact CD2-CD1 4.15Å; F226-I235 HydrophobicContact CE2-CD1 3.98Å; F226-I235 HydrophobicContact CG-CD1 4.49Å; F226-I235 HydrophobicContact CZ-CD1 4.19Å; V233-I235 HydrophobicContact CG1-CG1 4.12Å
236D86.6Confident89.6Confident24 Ų2415 Ų1513%0.1287%0.074CC..EExtended strand (participates in β ladder)trans-80.9-52.6179.9169.769000110.4V66 T143 L208V66-D236 HydrophobicContact CG1-CB 4.28Å; T143-D236 PolarHBondContact O-N 3.2Å; T143-D236 PolarHBondContact OG1-OD2 2.87Å; L208-D236 HydrophobicContact CD2-CB 4.06Å
237R89.5Confident89.4Confident81 Ų8118.2 Ų18.231%0.30610%0.1SC..EExtended strand (participates in β ladder)trans-147.2144.6179-171.8177.1-178.5-167.2-0.1110.8D35 T143 I239D35-R237 IonicContact OD1-CZ 3.96Å; D35-R237 IonicContact OD1-NE 3.96Å; D35-R237 PolarHBondContact OD1-NE 3.24Å; D35-R237 IonicContact OD1-NH2 2.76Å; D35-R237 IonicContact OD2-CZ 2.87Å; D35-R237 IonicContact OD2-NE 3.12Å; D35-R237 IonicContact OD2-NH2 3.03Å; D35-R237 PolarHBondContact OD2-NH2 3.36Å; T143-R237 PolarHBondContact N-O 3.08Å; T143-R237 PolarHBondContact O-N 2.9Å; T143-R237 WeakPolarHBondContact OG1-CA 3.42Å; T143-R237 VanDerWaalsContact OG1-CB 3.24Å; T143-R237 WeakPolarHBondContact OG1-CB 3.47Å; T143-R237 PolarHBondContact OG1-N 3.08Å; T143-R237 PolarHBondContact OG1-O 2.96Å; R237-I239 HydrophobicContact CG-CD1 4.45Å; R237-I239 HydrophobicContact CG-CG1 3.94Å
238L92.6Very high89.1Confident0 Ų017.6 Ų17.60%010%0.101CC..EExtended strand (participates in β ladder)trans-128.5125.3171.4180157.2000108.1T36 W41 W44 L140 E141 I142 F226T36-L238 HydrophobicContact CG2-CB 3.96Å; T36-L238 HydrophobicContact CG2-CD2 4.4Å; T36-L238 PolarHBondContact N-O 2.99Å; T36-L238 PolarHBondContact OG1-N 3.26Å; T36-L238 PolarHBondContact OG1-O 2.96Å; W41-L238 HydrophobicContact CH2-CB 4.1Å; W41-L238 HydrophobicContact CH2-CD1 4.44Å; W44-L238 HydrophobicContact CH2-CD1 3.7Å; W44-L238 HydrophobicContact CZ2-CD1 3.95Å; W44-L238 HydrophobicContact CZ2-CD2 4.1Å; L140-L238 HydrophobicContact CD1-CD1 4.02Å; L140-L238 HydrophobicContact CD1-CD2 3.62Å; L140-L238 HydrophobicContact CD1-CG 3.73Å; E141-L238 WeakPolarHBondContact O-CA 3.35Å; I142-L238 HydrophobicContact CG1-CD1 4.36Å; I142-L238 HydrophobicContact CG1-CG 4.34Å; F226-L238 HydrophobicContact CE2-CD1 3.59Å; F226-L238 HydrophobicContact CZ-CD1 3.42Å; F226-L238 VanDerWaalsContact CZ-CD1 3.42Å
239I93.8Very high88.8Confident10 Ų1023.2 Ų23.25%0.05113%0.126CC..EExtended strand (participates in β ladder)trans-121.1115.3176.7-44.1176.3000107.9I32 E34 E141 R237 Y241I32-I239 HydrophobicContact CG2-CG2 4.35Å; E34-I239 WeakPolarHBondContact O-CA 3.49Å; E141-I239 HydrophobicContact CB-CB 4.36Å; E141-I239 PolarHBondContact N-O 3.04Å; E141-I239 PolarHBondContact O-N 3.09Å; R237-I239 HydrophobicContact CG-CD1 4.45Å; R237-I239 HydrophobicContact CG-CG1 3.94Å; I239-Y241 HydrophobicContact CB-CD1 4.4Å; I239-Y241 HydrophobicContact CG2-CD1 3.88Å
240A93.7Very high88.5Confident0 Ų024.9 Ų24.90%013%0.132CC..EExtended strand (participates in β ladder)trans-98.7123.616800000108.2L33 E34 Y130 Y139 L140L33-A240 HydrophobicContact CB-CB 4.24Å; L33-A240 WeakPolarHBondContact CB-O 3.07Å; L33-A240 PolarHBondContact N-O 3.01Å; E34-A240 HydrophobicContact CB-CB 4.29Å; E34-A240 PolarHBondContact N-O 3.39Å; E34-A240 PolarHBondContact O-N 3.34Å; Y130-A240 HydrophobicContact CE2-CB 4.31Å; Y139-A240 CarbonylContact O-C 3.51Å; Y139-A240 WeakPolarHBondContact O-CA 3.37Å; L140-A240 HydrophobicContact CD1-CB 4.22Å
241Y94.1Very high88.2Confident24 Ų2430.4 Ų30.49%0.09415%0.148CC..EExtended strand (participates in β ladder)trans-150.1162.8-178.567.3-91.2000111.9K30 T31 Y139 E141 I239 L243K30-Y241 HydrophobicContact CD-CD2 3.99Å; K30-Y241 HydrophobicContact CD-CE2 4.14Å; K30-Y241 HydrophobicContact CD-CG 4.19Å; K30-Y241 VanDerWaalsContact CE-CD2 3.48Å; K30-Y241 VanDerWaalsContact CE-CE1 3.41Å; K30-Y241 HydrophobicContact CG-CD2 3.6Å; K30-Y241 HydrophobicContact CG-CE2 4.13Å; K30-Y241 HydrophobicContact CG-CG 3.94Å; T31-Y241 CarbonylContact O-C 3.43Å; T31-Y241 WeakPolarHBondContact O-CA 3.21Å; T31-Y241 VanDerWaalsContact O-CB 3.28Å; T31-Y241 WeakPolarHBondContact O-CB 3.46Å; Y139-Y241 HydrophobicContact CD1-CE2 4.44Å; Y139-Y241 HydrophobicContact CD2-CD2 4.17Å; Y139-Y241 AromaticContact CD2-CE2 3.81Å; Y139-Y241 HydrophobicContact CD2-CE2 3.81Å; Y139-Y241 HydrophobicContact CG-CD2 4.3Å; Y139-Y241 AromaticContact CG-CE2 3.68Å; Y139-Y241 HydrophobicContact CG-CE2 3.68Å; Y139-Y241 AromaticContact CG-CZ 3.83Å; Y139-Y241 PolarHBondContact N-O 3.21Å; Y139-Y241 PolarHBondContact O-N 3.05Å; E141-Y241 HydrophobicContact CB-CE1 4.09Å; I239-Y241 HydrophobicContact CB-CD1 4.4Å; I239-Y241 HydrophobicContact CG2-CD1 3.88Å; Y241-L243 HydrophobicContact CD2-CD2 4.1Å; Y241-L243 HydrophobicContact CD2-CG 4.43Å; Y241-L243 HydrophobicContact CE2-CD2 3.86Å; Y241-L243 HydrophobicContact CE2-CG 4.11Å
242H93.7Very high88Confident13 Ų1330.7 Ų30.76%0.0615%0.15CC..EExtended strand (participates in β ladder)trans-122.9161.4167.868103.3000110.6T31 I135 N137 E259T31-H242 VanDerWaalsContact CB-NE2 3.28Å; T31-H242 WeakPolarHBondContact CB-NE2 3.14Å; T31-H242 VanDerWaalsContact CG2-NE2 3.33Å; T31-H242 WeakPolarHBondContact CG2-NE2 3.46Å; T31-H242 PolarHBondContact N-O 2.89Å; T31-H242 PolarHBondContact O-N 2.91Å; I135-H242 HydrophobicContact CG2-CB 3.64Å; N137-H242 VanDerWaalsContact O-CB 3.27Å; N137-H242 WeakPolarHBondContact O-CB 3.27Å; H242-E259 IonicContact CE1-OE1 3.7Å; H242-E259 PolarHBondContact CE1-OE1 3.28Å; H242-E259 VanDerWaalsContact CE1-OE1 3.31Å; H242-E259 IonicContact CE1-OE2 3.09Å; H242-E259 PolarHBondContact CE1-OE2 2.99Å; H242-E259 IonicContact CG-OE2 3.28Å; H242-E259 IonicContact ND1-OE1 3.24Å; H242-E259 IonicContact ND1-OE2 2.68Å; H242-E259 PolarHBondContact ND1-OE2 3.29Å
243L93.2Very high87.8Confident22 Ų2230.2 Ų30.212%0.11515%0.146CC..EExtended strand (participates in β ladder)trans-109.4136.9177.7-62.6178.6000109.2V29 K30 Y139 Y241 A260V29-L243 WeakPolarHBondContact O-CA 3.34Å; K30-L243 HydrophobicContact CB-CD2 4.15Å; K30-L243 HydrophobicContact CG-CD2 4.34Å; Y139-L243 HydrophobicContact CD2-CD1 4.41Å; Y139-L243 HydrophobicContact CD2-CG 4.17Å; Y139-L243 HydrophobicContact CE2-CB 4.33Å; Y139-L243 HydrophobicContact CE2-CD1 3.74Å; Y139-L243 HydrophobicContact CE2-CG 3.79Å; Y241-L243 HydrophobicContact CD2-CD2 4.1Å; Y241-L243 HydrophobicContact CD2-CG 4.43Å; Y241-L243 HydrophobicContact CE2-CD2 3.86Å; Y241-L243 HydrophobicContact CE2-CG 4.11Å; L243-A260 HydrophobicContact CB-CB 4.08Å; L243-A260 WeakPolarHBondContact O-CB 3.29Å; L243-A260 PolarHBondContact O-N 3.29Å
244S92.5Very high87.7Confident0 Ų033 Ų330%016%0.161CC..EExtended strand (participates in β ladder)trans-127.4145.417056.70000110.1V29 E257 T258V29-S244 WeakPolarHBondContact CB-OG 3.37Å; V29-S244 PolarHBondContact N-O 2.69Å; V29-S244 PolarHBondContact O-N 2.85Å; S244-E257 PolarHBondContact OG-OE1 2.97Å; S244-T258 CarbonylContact C-O 3.57Å; S244-T258 VanDerWaalsContact CA-O 3.3Å; S244-T258 WeakPolarHBondContact CA-O 3.31Å; S244-T258 WeakPolarHBondContact CB-O 3.16Å
245C91.5Very high87.6Confident0 Ų031.6 Ų31.60%015%0.154CC..EExtended strand (participates in β ladder)trans-72.1122.8165.8-610000108.3E257 T258 C313 G317 W319C245-E257 VanDerWaalsContact O-CA 3.31Å; C245-E257 WeakPolarHBondContact O-CA 3.45Å; C245-E257 WeakPolarHBondContact O-CG 3.38Å; C245-T258 PolarHBondContact N-O 2.81Å; C245-T258 PolarHBondContact O-N 3.37Å; C245-C313 HydrophobicContact CB-CB 3.86Å; C245-C313 WeakPolarHBondContact CB-SG 3.5Å; C245-C313 WeakPolarHBondContact SG-CA 3.22Å; C245-C313 WeakPolarHBondContact SG-CB 3.33Å; C245-C313 CovalentContact SG-SG 2.03Å; C245-C313 PolarHBondContact SG-SG 2.86Å; C245-G317 WeakPolarHBondContact CA-O 3.16Å; C245-G317 PolarHBondContact SG-O 3.4Å; C245-G317 VanDerWaalsContact SG-O 3.33Å; C245-W319 HydrophobicContact CB-CD2 3.88Å; C245-W319 HydrophobicContact CB-CG 4.22Å; C245-W319 HydrophobicContact CB-CH2 4.43Å; C245-W319 HydrophobicContact CB-CZ2 3.7Å
246P90.1Very high87.5Confident15 Ų1534.4 Ų34.410%0.09717%0.172CC..PPolyproline II helixtrans-62.7151.2-172.817.5-28000113.1I26 V29 T248 W319I26-P246 HydrophobicContact CG2-CB 4.46Å; I26-P246 HydrophobicContact CG2-CG 3.39Å; V29-P246 HydrophobicContact CG2-CB 3.69Å; V29-P246 HydrophobicContact CG2-CG 4.38Å; P246-T248 PolarHBondContact O-N 3.41Å; P246-W319 PolarHBondContact O-NE1 3.41Å
247A88.6Confident87.7Confident67 Ų6738.2 Ų38.255%0.55419%0.189SC*.PPolyproline II helixtrans-63.6117.4163.500000109.3L255 E257A247-L255 CarbonylContact C-O 3.59Å; A247-L255 VanDerWaalsContact CA-O 3.27Å; A247-L255 WeakPolarHBondContact CA-O 3.45Å; A247-E257 HydrophobicContact CB-CB 4.03Å
248T84Confident87.7Confident28 Ų2834.7 Ų34.717%0.17218%0.177CC..EExtended strand (participates in β ladder)trans-140.6147-176.8-168.10000111.6I26 P246 L255I26-T248 HydrophobicContact CD1-CG2 3.76Å; P246-T248 PolarHBondContact O-N 3.41Å; T248-L255 HydrophobicContact CG2-CB 4.06Å; T248-L255 HydrophobicContact CG2-CD1 3.89Å; T248-L255 HydrophobicContact CG2-CG 4.42Å; T248-L255 PolarHBondContact N-O 2.82Å; T248-L255 PolarHBondContact O-N 3.34Å
249K81.5Confident87.6Confident118 Ų11836.3 Ų36.351%0.51318%0.184SC..EExtended strand (participates in β ladder)trans-104123.8168.8-67.5177.2-177.1176.50107.2I253 I274K249-I253 VanDerWaalsContact CA-O 3.31Å; K249-I253 WeakPolarHBondContact CA-O 2.98Å; K249-I274 HydrophobicContact CB-CD1 4.36Å; K249-I274 HydrophobicContact CD-CD1 3.99Å; K249-I274 HydrophobicContact CG-CD1 4.17Å
250F75.8Confident87.4Confident56 Ų5636 Ų3625%0.24618%0.183CC..EExtended strand (participates in β ladder)trans-142.8123.4-179.9179.6-109.6000110.1L24 L252 I253 L321L24-F250 HydrophobicContact CD1-CB 4.41Å; L24-F250 HydrophobicContact CD1-CD1 3.68Å; L24-F250 HydrophobicContact CD1-CD2 3.26Å; L24-F250 HydrophobicContact CD1-CE1 3.58Å; L24-F250 HydrophobicContact CD1-CE2 3.15Å; L24-F250 HydrophobicContact CD1-CG 3.5Å; L24-F250 HydrophobicContact CD1-CZ 3.31Å; F250-L252 VanDerWaalsContact C-N 3.31Å; F250-L252 PolarHBondContact O-N 3.34Å; F250-I253 PolarHBondContact N-O 3.2Å; F250-I253 VanDerWaalsContact O-CB 3.24Å; F250-I253 WeakPolarHBondContact O-CB 3.45Å; F250-I253 PolarHBondContact O-N 3.45Å; F250-L321 HydrophobicContact CD1-CD2 4.34Å
251R74.5Confident87Confident130 Ų13036 Ų3649%0.49118%0.183SC..THydrogen-bonded Turntrans49.449.9179.3-62.4-177.7177.9179.40.3112.9I253R251-I253 PolarHBondContact O-N 2.93Å; R251-I253 VanDerWaalsContact O-N 3.11Å
252L79.6Confident86.6Confident8 Ų836.1 Ų36.14%0.04219%0.185CC..THydrogen-bonded Turntrans63.39.5-178.6-60170.8000115.4F250 I274 C327 L335 E340F250-L252 VanDerWaalsContact C-N 3.31Å; F250-L252 PolarHBondContact O-N 3.34Å; L252-I274 WeakPolarHBondContact O-CG1 3.48Å; L252-I274 PolarHBondContact O-N 3.17Å; L252-C327 HydrophobicContact CB-CB 3.65Å; L252-C327 WeakPolarHBondContact CD1-O 3.19Å; L252-C327 WeakPolarHBondContact O-CB 3.34Å; L252-L335 HydrophobicContact CD1-CD1 4.16Å; L252-L335 HydrophobicContact CD2-CD1 3.71Å; L252-L335 HydrophobicContact CG-CD1 4.16Å; L252-E340 VanDerWaalsContact CD2-O 3.3Å; L252-E340 WeakPolarHBondContact CD2-O 3.48Å
253I82.8Confident86Confident3 Ų340.2 Ų40.22%0.01521%0.207CC..EExtended strand (participates in β ladder)trans-93.4133.9171.6-62.1167.6000108.8K249 F250 R251 L255 V271 L321 C327K249-I253 VanDerWaalsContact CA-O 3.31Å; K249-I253 WeakPolarHBondContact CA-O 2.98Å; F250-I253 PolarHBondContact N-O 3.2Å; F250-I253 VanDerWaalsContact O-CB 3.24Å; F250-I253 WeakPolarHBondContact O-CB 3.45Å; F250-I253 PolarHBondContact O-N 3.45Å; R251-I253 PolarHBondContact O-N 2.93Å; R251-I253 VanDerWaalsContact O-N 3.11Å; I253-L255 HydrophobicContact CG2-CD2 3.76Å; I253-L255 HydrophobicContact CG2-CG 3.93Å; I253-V271 HydrophobicContact CB-CG1 4.14Å; I253-V271 HydrophobicContact CD1-CG1 3.73Å; I253-V271 HydrophobicContact CD1-CG2 4.47Å; I253-V271 HydrophobicContact CG1-CG1 3.58Å; I253-V271 HydrophobicContact CG2-CB 4.33Å; I253-V271 HydrophobicContact CG2-CG1 3.57Å; I253-V271 HydrophobicContact CG2-CG2 4.3Å; I253-L321 HydrophobicContact CD1-CD2 3.93Å; I253-C327 HydrophobicContact CG1-CB 4.31Å; I253-C327 VanDerWaalsContact CG1-SG 3.51Å
254N86.1Confident85.3Confident61 Ų6148.4 Ų48.433%0.32624%0.241SC..EExtended strand (participates in β ladder)trans-99.8110.1171.6-170.550.6000109.6Q272 I274N254-Q272 PolarHBondContact N-O 3.44Å; N254-I274 HydrophobicContact CB-CG1 4.07Å
255L86.4Confident84.8Confident2 Ų252.3 Ų52.31%0.0126%0.26CS..EExtended strand (participates in β ladder)trans-99.8120.5174.8-63.1176.7000109.2A247 T248 I253 A311 W319A247-L255 CarbonylContact C-O 3.59Å; A247-L255 VanDerWaalsContact CA-O 3.27Å; A247-L255 WeakPolarHBondContact CA-O 3.45Å; T248-L255 HydrophobicContact CG2-CB 4.06Å; T248-L255 HydrophobicContact CG2-CD1 3.89Å; T248-L255 HydrophobicContact CG2-CG 4.42Å; T248-L255 PolarHBondContact N-O 2.82Å; T248-L255 PolarHBondContact O-N 3.34Å; I253-L255 HydrophobicContact CG2-CD2 3.76Å; I253-L255 HydrophobicContact CG2-CG 3.93Å; L255-A311 HydrophobicContact CD2-CB 3.56Å; L255-W319 HydrophobicContact CB-CH2 4.32Å; L255-W319 HydrophobicContact CB-CZ2 3.87Å; L255-W319 HydrophobicContact CD1-CD2 3.78Å; L255-W319 HydrophobicContact CD1-CE3 4.1Å; L255-W319 HydrophobicContact CD1-CG 4.05Å; L255-W319 HydrophobicContact CD1-CZ2 4.37Å; L255-W319 HydrophobicContact CD2-CH2 4.4Å; L255-W319 HydrophobicContact CD2-CZ3 4.42Å
256P87.6Confident84.5Confident60 Ų6055 Ų5539%0.3928%0.276SS..PPolyproline II helixtrans-73.5155.3174.232-34.6000110.8T258 I269 W319P256-T258 PolarHBondContact O-N 3.07Å; P256-T258 PolarHBondContact O-OG1 2.83Å; P256-I269 HydrophobicContact CG-CG2 4.49Å; P256-W319 WeakPolarHBondContact O-CZ2 3.49Å
257E89.4Confident84.2Confident104 Ų10459.4 Ų59.449%0.48629%0.291SS..PPolyproline II helixtrans-60.3133.2171.8-173.9173.7173.800110.3S244 C245 A247S244-E257 PolarHBondContact OG-OE1 2.97Å; C245-E257 VanDerWaalsContact O-CA 3.31Å; C245-E257 WeakPolarHBondContact O-CA 3.45Å; C245-E257 WeakPolarHBondContact O-CG 3.38Å; A247-E257 HydrophobicContact CB-CB 4.03Å
258T90.5Very high84Confident8 Ų862.2 Ų62.25%0.04929%0.292CS..EExtended strand (participates in β ladder)trans-137.4124.8-171.9-56.30000111.3S244 C245 P256 A260 R267 I269 C313S244-T258 CarbonylContact C-O 3.57Å; S244-T258 VanDerWaalsContact CA-O 3.3Å; S244-T258 WeakPolarHBondContact CA-O 3.31Å; S244-T258 WeakPolarHBondContact CB-O 3.16Å; C245-T258 PolarHBondContact N-O 2.81Å; C245-T258 PolarHBondContact O-N 3.37Å; P256-T258 PolarHBondContact O-N 3.07Å; P256-T258 PolarHBondContact O-OG1 2.83Å; T258-A260 PolarHBondContact O-N 3.49Å; T258-R267 HydrophobicContact CG2-CB 4.33Å; T258-I269 HydrophobicContact CG2-CD1 3.31Å; T258-I269 HydrophobicContact CG2-CG1 4.46Å; T258-I269 WeakPolarHBondContact OG1-CD1 3.36Å; T258-C313 HydrophobicContact CG2-CB 4.12Å; T258-C313 PolarHBondContact O-SG 3.36Å
259E89.7Confident84Confident34 Ų3462.3 Ų62.316%0.15929%0.291CS..EExtended strand (participates in β ladder)trans-57.9129174.1-60.8-60163.700112.3H242 R267H242-E259 IonicContact CE1-OE1 3.7Å; H242-E259 PolarHBondContact CE1-OE1 3.28Å; H242-E259 VanDerWaalsContact CE1-OE1 3.31Å; H242-E259 IonicContact CE1-OE2 3.09Å; H242-E259 PolarHBondContact CE1-OE2 2.99Å; H242-E259 IonicContact CG-OE2 3.28Å; H242-E259 IonicContact ND1-OE1 3.24Å; H242-E259 IonicContact ND1-OE2 2.68Å; H242-E259 PolarHBondContact ND1-OE2 3.29Å; E259-R267 WeakPolarHBondContact O-CD 3.46Å
260A90.7Very high83.9Confident3 Ų360.5 Ų60.53%0.02529%0.285CS..PPolyproline II helixtrans-68.1147.9179.200000111.3L243 T258 M314L243-A260 HydrophobicContact CB-CB 4.08Å; L243-A260 WeakPolarHBondContact O-CB 3.29Å; L243-A260 PolarHBondContact O-N 3.29Å; T258-A260 PolarHBondContact O-N 3.49Å; A260-M314 WeakPolarHBondContact CB-O 3.04Å
261G85.7Confident84Confident0 Ų058.5 Ų58.50%028%0.277CS..PPolyproline II helixtrans-70166.2176.400000113A315G261-A315 WeakPolarHBondContact O-CA 2.83Å; G261-A315 WeakPolarHBondContact O-CB 3.37Å
262H84.5Confident84.4Confident27 Ų2758.4 Ų58.413%0.12528%0.282CS..SBendtrans-84136.2173.1-176.471.8000110.9N137 R216 K264 E265N137-H262 HydrophobicContact CB-CB 4.08Å; N137-H262 VanDerWaalsContact CG-ND1 3.25Å; N137-H262 PolarHBondContact OD1-ND1 3.25Å; R216-H262 VanDerWaalsContact NH1-CB 3.33Å; H262-K264 PolarHBondContact O-N 3.42Å; H262-E265 WeakPolarHBondContact O-CB 3.44Å; H262-E265 WeakPolarHBondContact O-CG 3.06Å; H262-E265 PolarHBondContact O-N 3.18Å
263N82.1Confident84.7Confident98 Ų9859.8 Ų59.852%0.52429%0.292SS..THydrogen-bonded Turntrans56.1-92.7179.6-71.3-39.9000115.8Q214 A315Q214-N263 PolarHBondContact OE1-OD1 2.8Å; N263-A315 WeakPolarHBondContact O-CB 3.39Å
264K78.3Confident84.8Confident195 Ų19560.3 Ų60.385%0.84830%0.295SS*.THydrogen-bonded Turntrans-119.57.3-178.1-64.4-177-178.3176.60111.9H262 V266H262-K264 PolarHBondContact O-N 3.42Å; K264-V266 PolarHBondContact O-N 3.43Å
265E81.8Confident84.8Confident82 Ų8262.8 Ų62.838%0.38331%0.314SS..  trans-67.4130.4176.4-70.5177.8-176.600109.7R216 H262R216-E265 IonicContact CZ-OE1 3.74Å; R216-E265 IonicContact CZ-OE2 2.93Å; R216-E265 IonicContact NH1-OE1 3.73Å; R216-E265 PolarHBondContact NH1-OE1 2.99Å; R216-E265 IonicContact NH1-OE2 3.46Å; R216-E265 PolarHBondContact NH1-OE2 3.45Å; R216-E265 IonicContact NH2-OE1 2.73Å; R216-E265 PolarHBondContact NH2-OE1 3.41Å; R216-E265 IonicContact NH2-OE2 2.71Å; R216-E265 PolarHBondContact NH2-OE2 3.02Å; R216-E265 VanDerWaalsContact NH2-OE2 3.1Å; H262-E265 WeakPolarHBondContact O-CB 3.44Å; H262-E265 WeakPolarHBondContact O-CG 3.06Å; H262-E265 PolarHBondContact O-N 3.18Å
266V84.2Confident84.8Confident57 Ų5763.5 Ų63.535%0.34532%0.322SS..  trans-112.7129.2179.6-179.30000107.5K264 L312 M314K264-V266 PolarHBondContact O-N 3.43Å; V266-L312 HydrophobicContact CG1-CB 3.64Å; V266-L312 HydrophobicContact CG1-CD1 4.25Å; V266-L312 HydrophobicContact CG1-CD2 3.91Å; V266-L312 HydrophobicContact CG1-CG 4.15Å; V266-M314 HydrophobicContact CB-SD 4.38Å; V266-M314 HydrophobicContact CG1-SD 3.79Å; V266-M314 HydrophobicContact CG2-CE 3.97Å; V266-M314 HydrophobicContact CG2-SD 3.66Å
267R85.5Confident84.8Confident106 Ų10661.5 Ų61.540%0.431%0.309SS..EExtended strand (participates in β ladder)trans-91.5128.4173.8-64.9-158.672.1-177.4-3.2110L136 T258 E259 L312 C313L136-R267 HydrophobicContact CD1-CG 4.39Å; T258-R267 HydrophobicContact CG2-CB 4.33Å; E259-R267 WeakPolarHBondContact O-CD 3.46Å; R267-L312 CarbonylContact O-C 3.58Å; R267-L312 WeakPolarHBondContact O-CA 3.22Å; R267-C313 HydrophobicContact CB-CB 4.25Å; R267-C313 PolarHBondContact N-O 3.36Å; R267-C313 PolarHBondContact O-N 2.82Å
268Q83.7Confident84.7Confident127 Ų12760 Ų6059%0.59330%0.304SS*.EExtended strand (participates in β ladder)trans-97.6130.9176.6-54-169.1-20.400109.3L312Q268-L312 HydrophobicContact CB-CD2 4.27Å; Q268-L312 HydrophobicContact CG-CD2 3.62Å
269I83.1Confident84.1Confident29 Ų2961.3 Ų61.315%0.14931%0.309CS..EExtended strand (participates in β ladder)trans-129134.5178.2-63.4173000108.7P256 T258 V271 A311 W319P256-I269 HydrophobicContact CG-CG2 4.49Å; T258-I269 HydrophobicContact CG2-CD1 3.31Å; T258-I269 HydrophobicContact CG2-CG1 4.46Å; T258-I269 WeakPolarHBondContact OG1-CD1 3.36Å; I269-V271 PolarHBondContact O-N 3.13Å; I269-A311 PolarHBondContact N-O 3.31Å; I269-A311 PolarHBondContact O-N 3.32Å; I269-W319 HydrophobicContact CD1-CH2 3.61Å; I269-W319 HydrophobicContact CD1-CZ3 4.18Å
270H80.1Confident83.2Confident81 Ų8162.1 Ų62.138%0.37532%0.316SS..EExtended strand (participates in β ladder)trans-68.6123.8172.2-68.5102.7000110Q272H270-Q272 PolarHBondContact O-N 3.16Å
271V77.6Confident81.7Confident13 Ų1364.8 Ų64.88%0.07933%0.33CS..PPolyproline II helixtrans-61.3122.1176163.30000109.5I253 I269 F279 G309 A311I253-V271 HydrophobicContact CB-CG1 4.14Å; I253-V271 HydrophobicContact CD1-CG1 3.73Å; I253-V271 HydrophobicContact CD1-CG2 4.47Å; I253-V271 HydrophobicContact CG1-CG1 3.58Å; I253-V271 HydrophobicContact CG2-CB 4.33Å; I253-V271 HydrophobicContact CG2-CG1 3.57Å; I253-V271 HydrophobicContact CG2-CG2 4.3Å; I269-V271 PolarHBondContact O-N 3.13Å; V271-F279 HydrophobicContact CG1-CD2 4.07Å; V271-F279 HydrophobicContact CG1-CE2 4.04Å; V271-G309 WeakPolarHBondContact CB-O 3.22Å; V271-G309 WeakPolarHBondContact CG2-O 3.44Å; V271-G309 PolarHBondContact N-O 3.09Å; V271-A311 HydrophobicContact CG2-CB 4.05Å
272Q82.7Confident79.9Confident129 Ų12972 Ų7260%0.60336%0.363SS*.EExtended strand (participates in β ladder)trans-103.5122.7171.8-66.9-175.7-1.700109.6N254 H270N254-Q272 PolarHBondContact N-O 3.44Å; H270-Q272 PolarHBondContact O-N 3.16Å
273C85.6Confident77.8Confident36 Ų3674.6 Ų74.624%0.24337%0.373CS..EExtended strand (participates in β ladder)trans-72.7144.2173.3-67.60000111.1S277 F279 C327C273-S277 WeakPolarHBondContact CB-OG 3.03Å; C273-F279 VanDerWaalsContact SG-CA 3.59Å; C273-F279 PolarHBondContact SG-N 3.18Å; C273-C327 WeakPolarHBondContact CA-SG 3.04Å; C273-C327 HydrophobicContact CB-CB 3.82Å; C273-C327 WeakPolarHBondContact CB-SG 3.37Å; C273-C327 WeakPolarHBondContact SG-CB 3.28Å; C273-C327 CovalentContact SG-SG 2.03Å; C273-C327 PolarHBondContact SG-SG 3.01Å
274I86.3Confident75.4Confident15 Ų1573.8 Ų73.88%0.07738%0.375CS..PPolyproline II helixtrans-62.9146.6173.4-65.7175.1000109.5K249 L252 N254 G276 S277K249-I274 HydrophobicContact CB-CD1 4.36Å; K249-I274 HydrophobicContact CD-CD1 3.99Å; K249-I274 HydrophobicContact CG-CD1 4.17Å; L252-I274 WeakPolarHBondContact O-CG1 3.48Å; L252-I274 PolarHBondContact O-N 3.17Å; N254-I274 HydrophobicContact CB-CG1 4.07Å; I274-G276 PolarHBondContact O-N 3.36Å; I274-S277 PolarHBondContact N-OG 3.48Å; I274-S277 PolarHBondContact O-N 3.19Å; I274-S277 PolarHBondContact O-OG 3.09Å
275P84.7Confident73.1Confident113 Ų11370.3 Ų70.373%0.73436%0.364SS*.THydrogen-bonded Turntrans-48.6134.2176.2-28.935.7000113S277P275-S277 VanDerWaalsContact C-N 3.31Å
276G86.3Confident70.5Confident17 Ų1774 Ų7418%0.17538%0.375CS..THydrogen-bonded Turntrans83.9-1.7-174.900000114.8I274 D330 Y333 C342I274-G276 PolarHBondContact O-N 3.36Å; G276-D330 PolarHBondContact O-N 2.03Å; G276-Y333 WeakPolarHBondContact O-CB 3.38Å; G276-C342 WeakPolarHBondContact O-CB 3.45Å
277S88.3Confident67.6Low17 Ų1776.1 Ų76.112%0.11939%0.389CS..EExtended strand (participates in β ladder)trans-112.2155.6168.866.50000112.3C273 I274 P275 V328C273-S277 WeakPolarHBondContact CB-OG 3.03Å; I274-S277 PolarHBondContact N-OG 3.48Å; I274-S277 PolarHBondContact O-N 3.19Å; I274-S277 PolarHBondContact O-OG 3.09Å; P275-S277 VanDerWaalsContact C-N 3.31Å; S277-V328 CarbonylContact C-O 3.57Å; S277-V328 WeakPolarHBondContact CA-O 3.04Å; S277-V328 VanDerWaalsContact CB-O 3.23Å; S277-V328 WeakPolarHBondContact CB-O 3.5Å
278I86.8Confident64.9Low72 Ų7276.8 Ų76.837%0.36940%0.395SS..EExtended strand (participates in β ladder)trans-128.3143.6180-170.4167.3000109.5V280 C327 V328 D330 P354I278-V280 HydrophobicContact CG2-CG2 4.47Å; I278-C327 WeakPolarHBondContact O-CA 3.33Å; I278-V328 HydrophobicContact CG2-CG2 4.35Å; I278-V328 PolarHBondContact N-O 2.64Å; I278-V328 PolarHBondContact O-N 3.23Å; I278-D330 HydrophobicContact CB-CB 4.25Å; I278-D330 HydrophobicContact CG2-CB 4.04Å; I278-P354 HydrophobicContact CG2-CB 3.61Å; I278-P354 HydrophobicContact CG2-CG 3.99Å
279F79.4Confident62.1Low37 Ų3773.2 Ų73.216%0.16238%0.384CS..EExtended strand (participates in β ladder)trans-75133178.7-169.2-101.8000110.2V271 C273 N281 N307 G309 H325V271-F279 HydrophobicContact CG1-CD2 4.07Å; V271-F279 HydrophobicContact CG1-CE2 4.04Å; C273-F279 VanDerWaalsContact SG-CA 3.59Å; C273-F279 PolarHBondContact SG-N 3.18Å; F279-N281 VanDerWaalsContact CD1-OD1 3.3Å; F279-N281 WeakPolarHBondContact CD1-OD1 3.2Å; F279-N281 WeakPolarHBondContact CE1-OD1 3.36Å; F279-N307 WeakPolarHBondContact CD1-O 3.09Å; F279-N307 WeakPolarHBondContact CE1-O 3.25Å; F279-G309 VanDerWaalsContact CE1-N 3.33Å; F279-H325 HydrophobicContact CE1-CB 4.17Å; F279-H325 HydrophobicContact CE2-CB 4.2Å; F279-H325 HydrophobicContact CZ-CB 3.52Å
280V70.2Confident59.5Low51 Ų5173.9 Ų73.931%0.30939%0.387SS..EExtended strand (participates in β ladder)trans-123.2117.6178-173.40000109.7I278 Q282 G326 V328I278-V280 HydrophobicContact CG2-CG2 4.47Å; V280-Q282 VanDerWaalsContact CG1-O 3.22Å; V280-Q282 WeakPolarHBondContact CG1-O 3.18Å; V280-Q282 PolarHBondContact O-N 3.48Å; V280-Q282 VanDerWaalsContact O-N 3.12Å; V280-G326 PolarHBondContact N-O 3.44Å; V280-G326 VanDerWaalsContact N-O 3.15Å; V280-V328 HydrophobicContact CG2-CG2 3.49Å; V280-V328 VanDerWaalsContact CG2-CG2 3.49Å
281N58.9Low57Low59 Ų5976.6 Ų76.632%0.31641%0.405SS..SBendtrans-66.3-11.8-175.1-67.6-6.4000114.7F279 N307 H325F279-N281 VanDerWaalsContact CD1-OD1 3.3Å; F279-N281 WeakPolarHBondContact CD1-OD1 3.2Å; F279-N281 WeakPolarHBondContact CE1-OD1 3.36Å; N281-N307 WeakPolarHBondContact ND2-CB 3.19Å; N281-N307 PolarHBondContact ND2-ND2 3.49Å; N281-N307 VanDerWaalsContact ND2-ND2 3.13Å; N281-N307 PolarHBondContact OD1-O 3.24Å; N281-N307 VanDerWaalsContact OD1-O 3.05Å; N281-H325 PolarHBondContact O-CD2 3.45Å; N281-H325 PolarHBondContact O-CE1 3.18Å; N281-H325 VanDerWaalsContact O-CG 3.25Å; N281-H325 PolarHBondContact O-ND1 3.5Å; N281-H325 PolarHBondContact O-NE2 2.89Å
282Q47.5Very low54.7Low150 Ų15084 Ų8470%0.70144%0.438SS*.  trans-147.3121.1173.2-72.1-178.7-23.600106.6V280 S284V280-Q282 VanDerWaalsContact CG1-O 3.22Å; V280-Q282 WeakPolarHBondContact CG1-O 3.18Å; V280-Q282 PolarHBondContact O-N 3.48Å; V280-Q282 VanDerWaalsContact O-N 3.12Å; Q282-S284 VanDerWaalsContact C-N 3.32Å; Q282-S284 PolarHBondContact O-N 3.23Å
283Y41Very low52.2Low83 Ų8386.1 Ų86.133%0.32545%0.453SS..  trans-55.8115.3147.8-72.8-84.9000103.7I285 N324Y283-I285 PolarHBondContact O-N 3.2Å; Y283-N324 WeakPolarHBondContact CD2-O 3.27Å; Y283-N324 WeakPolarHBondContact CE2-O 3.45Å
284S31.6Very low49.6Very low80 Ų8090.1 Ų90.156%0.55947%0.471SS*.  trans-66.571.716360.50000106.7Q282 Y286Q282-S284 VanDerWaalsContact C-N 3.32Å; Q282-S284 PolarHBondContact O-N 3.23Å; S284-Y286 WeakPolarHBondContact O-CD2 3.41Å; S284-Y286 PolarHBondContact O-N 2.91Å
285I30.5Very low46.9Very low122 Ų12297.8 Ų97.863%0.62651%0.506SS*.  trans-6490.4151-56.5175.1000101.3Y283 T287Y283-I285 PolarHBondContact O-N 3.2Å; I285-T287 HydrophobicContact CG2-CG2 4.11Å; I285-T287 PolarHBondContact O-N 2.94Å
286Y25.6Very low44.2Very low159 Ų15999.7 Ų99.762%0.62451%0.51SS*.  trans-65.472.5176.9-86.9-84.9000108.9S284 K288S284-Y286 WeakPolarHBondContact O-CD2 3.41Å; S284-Y286 PolarHBondContact O-N 2.91Å; Y286-K288 PolarHBondContact O-N 2.99Å
287T25.2Very low41.5Very low102 Ų102105.5 Ų105.563%0.62654%0.537SS*.  trans-8691.7156.746.40000105.9I285 S289I285-T287 HydrophobicContact CG2-CG2 4.11Å; I285-T287 PolarHBondContact O-N 2.94Å; T287-S289 PolarHBondContact O-N 2.78Å
288K27.5Very low38.7Very low120 Ų120114.4 Ų114.452%0.52257%0.573SS.*  trans-57.6107.3171.6-80.8176.7173.9175.70109.3Y286 N1328Y286-K288 PolarHBondContact O-N 2.99Å; K288-N1328 PolarHBondContact O-ND2 3.18Å; K288-N1328 VanDerWaalsContact O-ND2 3.15Å
289S26Very low36.1Very low52 Ų52119 Ų11936%0.36460%0.597SS.*  trans-149.7106.8160.147.40000114.1T287T287-S289 PolarHBondContact O-N 2.78Å
290N27.4Very low33.6Very low43 Ų43123 Ų12323%0.2362%0.62CS.*  trans74.380.2147.7-57.4-24.3000118H292 Q1325 K1329N290-H292 PolarHBondContact O-N 2.91Å; N290-H292 VanDerWaalsContact O-N 3.14Å; N290-Q1325 PolarHBondContact ND2-O 3.23Å; N290-Q1325 VanDerWaalsContact OD1-CD 3.28Å; N290-Q1325 WeakPolarHBondContact OD1-CG 3.41Å; N290-K1329 HydrophobicContact CB-CD 4.26Å; N290-K1329 HydrophobicContact CB-CG 4.36Å; N290-K1329 VanDerWaalsContact ND2-CD 3.29Å; N290-K1329 WeakPolarHBondContact ND2-CD 3.21Å; N290-K1329 VanDerWaalsContact ND2-CG 3.27Å; N290-K1329 WeakPolarHBondContact ND2-CG 2.85Å
291D28.5Very low31.7Very low138 Ų138127.7 Ų127.774%0.73864%0.643SS**  trans-47.7106145-70.1-45.6000110.8
292H29.1Very low30.2Very low170 Ų170132.4 Ų132.479%0.78767%0.669SS**  trans-171.366.8148.2-100.6-64.9000108.5N290N290-H292 PolarHBondContact O-N 2.91Å; N290-H292 VanDerWaalsContact O-N 3.14Å
293L29.5Very low29.4Very low173 Ų173131.7 Ų131.791%0.90667%0.669SS**  trans-16654.5162.5-99.8154.1000108.6
294I30.9Very low29Very low120 Ų120134.8 Ų134.862%0.61569%0.691SS**  trans-115.567.6169.3-50.2178.1000108.3
295H30.2Very low29.1Very low175 Ų175137.9 Ų137.981%0.8170%0.701SS**SBendtrans-148.583.8157-109.429.7000106.4
296N27.7Very low29.6Very low153 Ų153138.6 Ų138.682%0.81870%0.702SS**  trans175.825.5150-82.5-12.7000113.6K298N296-K298 PolarHBondContact O-N 2.04Å
297N29.1Very low30.6Very low140 Ų140136.8 Ų136.875%0.74970%0.703SS**THydrogen-bonded Turntrans-79.958.8174.3-78-5.2000112.8
298K31.2Very low31.9Very low204 Ų204136.1 Ų136.189%0.88770%0.696SS**THydrogen-bonded Turntrans-129.220.7167.2-135.7-179.8-175.7-177.90114.4N296N296-K298 PolarHBondContact O-N 2.04Å
299L30.5Very low33.6Very low167 Ų167130.7 Ų130.787%0.87467%0.674SS**SBendtrans-12626171.3-90.1165.5000113.3
300L28.7Very low35.9Very low123 Ų123130.4 Ų130.464%0.64467%0.668SS**  trans-121.436-179.2-138.996.2000114.1L303L300-L303 HydrophobicContact CD1-CD1 4.27Å
301N29.8Very low38.5Very low148 Ų148128.4 Ų128.479%0.79166%0.657SS**SBendtrans-104.98.2170.7-78.74.8000113.6
302N27.2Very low41.3Very low158 Ų158122.9 Ų122.985%0.84563%0.628SS**SBendtrans-123.322.3-179.2-79.5-0.1000114.4
303L30.4Very low44.1Very low135 Ų135114.8 Ų114.871%0.70759%0.59SS**  trans-11471.8169.2-72.9165.2000108.4L300 D305L300-L303 HydrophobicContact CD1-CD1 4.27Å; L303-D305 VanDerWaalsContact C-N 3.32Å
304N32.7Very low46.9Very low149 Ų149109.2 Ų109.280%0.79756%0.56SS**  trans-89.412.9179.3-90.2-6.1000113.7
305D34.1Very low49.5Very low144 Ų144104 Ų10477%0.7754%0.535SS*.SBendtrans-132.2133.2178.2-77.5-45.8000111.6L303L303-D305 VanDerWaalsContact C-N 3.32Å
306E41Very low52.2Low137 Ų13799.6 Ų99.664%0.6452%0.518SS*.  trans79.943.4155.2-60.9-176.5171.400120.4N308E306-N308 PolarHBondContact O-N 3.41Å
307N45.2Very low55Low122 Ų12292.3 Ų92.365%0.65248%0.479SS*.  trans-77.419.4158.9-97-24.8000113.8F279 N281F279-N307 WeakPolarHBondContact CD1-O 3.09Å; F279-N307 WeakPolarHBondContact CE1-O 3.25Å; N281-N307 WeakPolarHBondContact ND2-CB 3.19Å; N281-N307 PolarHBondContact ND2-ND2 3.49Å; N281-N307 VanDerWaalsContact ND2-ND2 3.13Å; N281-N307 PolarHBondContact OD1-O 3.24Å; N281-N307 VanDerWaalsContact OD1-O 3.05Å
308N53.7Low57.8Low87 Ų8787.2 Ų87.247%0.46545%0.453SS..  trans-80.1127178.4-64.8-17.9000108.6E306E306-N308 PolarHBondContact O-N 3.41Å
309G63.2Low60.3Low6 Ų677.9 Ų77.96%0.06241%0.412CS..  trans-51.6146.2176.200000112V271 F279V271-G309 WeakPolarHBondContact CB-O 3.22Å; V271-G309 WeakPolarHBondContact CG2-O 3.44Å; V271-G309 PolarHBondContact N-O 3.09Å; F279-G309 VanDerWaalsContact CE1-N 3.33Å
310L74.7Confident62.7Low47 Ų4774.1 Ų74.125%0.24639%0.39CS..EExtended strand (participates in β ladder)trans-104.8129.5177.3-69.9167000110Q322L310-Q322 PolarHBondContact O-N 2.79Å
311A82Confident64.9Low0 Ų071 Ų710%037%0.373CS..EExtended strand (participates in β ladder)trans-103.4135167.900000109L255 I269 V271 W319L255-A311 HydrophobicContact CD2-CB 3.56Å; I269-A311 PolarHBondContact N-O 3.31Å; I269-A311 PolarHBondContact O-N 3.32Å; V271-A311 HydrophobicContact CG2-CB 4.05Å; A311-W319 HydrophobicContact CB-CE3 4.05Å; A311-W319 HydrophobicContact CB-CZ3 3.83Å
312L86.1Confident66.5Low22 Ų2269.2 Ų69.212%0.11536%0.36CS..EExtended strand (participates in β ladder)trans-107.7118.7-178.3-57.8-178.6000109.3V266 R267 Q268 M314 H320 Q322V266-L312 HydrophobicContact CG1-CB 3.64Å; V266-L312 HydrophobicContact CG1-CD1 4.25Å; V266-L312 HydrophobicContact CG1-CD2 3.91Å; V266-L312 HydrophobicContact CG1-CG 4.15Å; R267-L312 CarbonylContact O-C 3.58Å; R267-L312 WeakPolarHBondContact O-CA 3.22Å; Q268-L312 HydrophobicContact CB-CD2 4.27Å; Q268-L312 HydrophobicContact CG-CD2 3.62Å; L312-M314 HydrophobicContact CB-SD 4.43Å; L312-H320 HydrophobicContact CB-CB 4.24Å; L312-H320 VanDerWaalsContact CB-O 3.31Å; L312-H320 WeakPolarHBondContact CB-O 3.29Å; L312-H320 PolarHBondContact N-O 3.49Å; L312-H320 PolarHBondContact O-N 3.32Å; L312-Q322 HydrophobicContact CD1-CG 3.68Å; L312-Q322 HydrophobicContact CG-CG 4.18Å
313C89.1Confident67.8Low0 Ų064.2 Ų64.20%034%0.335CS..EExtended strand (participates in β ladder)trans-91.2113.9167.2174.70000108.4C245 T258 R267 W319C245-C313 HydrophobicContact CB-CB 3.86Å; C245-C313 WeakPolarHBondContact CB-SG 3.5Å; C245-C313 WeakPolarHBondContact SG-CA 3.22Å; C245-C313 WeakPolarHBondContact SG-CB 3.33Å; C245-C313 CovalentContact SG-SG 2.03Å; C245-C313 PolarHBondContact SG-SG 2.86Å; T258-C313 HydrophobicContact CG2-CB 4.12Å; T258-C313 PolarHBondContact O-SG 3.36Å; R267-C313 HydrophobicContact CB-CB 4.25Å; R267-C313 PolarHBondContact N-O 3.36Å; R267-C313 PolarHBondContact O-N 2.82Å; C313-W319 HydrophobicContact CB-CE3 4.09Å; C313-W319 HydrophobicContact CB-CH2 4.14Å; C313-W319 HydrophobicContact CB-CZ3 3.81Å
314M88Confident68.8Low56 Ų5664.1 Ų64.128%0.27634%0.335SS..  trans-81164.9-177.1-59-61-74.700111.3A260 V266 L312 D316 G317 T318 H320A260-M314 WeakPolarHBondContact CB-O 3.04Å; V266-M314 HydrophobicContact CB-SD 4.38Å; V266-M314 HydrophobicContact CG1-SD 3.79Å; V266-M314 HydrophobicContact CG2-CE 3.97Å; V266-M314 HydrophobicContact CG2-SD 3.66Å; L312-M314 HydrophobicContact CB-SD 4.43Å; M314-D316 WeakPolarHBondContact CB-OD1 2.95Å; M314-D316 PolarHBondContact O-N 3.02Å; M314-G317 PolarHBondContact O-N 3.27Å; M314-T318 PolarHBondContact N-O 3.41Å; M314-H320 HydrophobicContact CG-CB 4.43Å; M314-H320 WeakPolarHBondContact CG-CD2 3.42Å
315A85.8Confident70Confident11 Ų1159.9 Ų59.99%0.09131%0.311CS..THydrogen-bonded Turntrans-66.7-16.8-178.600000114.5Y139 G261 N263 G317Y139-A315 PolarHBondContact OH-O 2.86Å; Y139-A315 VanDerWaalsContact OH-O 3.06Å; G261-A315 WeakPolarHBondContact O-CA 2.83Å; G261-A315 WeakPolarHBondContact O-CB 3.37Å; N263-A315 WeakPolarHBondContact O-CB 3.39Å; A315-G317 VanDerWaalsContact C-N 3.3Å
316D86.6Confident71.8Confident83 Ų8353.1 Ų53.144%0.44428%0.275SS..THydrogen-bonded Turntrans-88.34.1172.963.1-5.2000113.1P28 M314 T318P28-D316 WeakPolarHBondContact CB-O 3.33Å; M314-D316 WeakPolarHBondContact CB-OD1 2.95Å; M314-D316 PolarHBondContact O-N 3.02Å; D316-T318 WeakPolarHBondContact OD1-CB 3.06Å; D316-T318 PolarHBondContact OD1-N 3.38Å; D316-T318 VanDerWaalsContact OD1-N 3.11Å; D316-T318 PolarHBondContact OD1-OG1 3.16Å; D316-T318 PolarHBondContact OD2-OG1 2.95Å
317G86.9Confident73.8Confident0 Ų046.8 Ų46.80%025%0.246CC..SBendtrans79.514-178.400000114.3C245 M314 A315C245-G317 WeakPolarHBondContact CA-O 3.16Å; C245-G317 PolarHBondContact SG-O 3.4Å; C245-G317 VanDerWaalsContact SG-O 3.33Å; M314-G317 PolarHBondContact O-N 3.27Å; A315-G317 VanDerWaalsContact C-N 3.3Å
318T86.3Confident75.7Confident32 Ų3241.5 Ų41.520%0.19622%0.218CC..  trans-94.2145.4177.765.30000112.8M314 D316M314-T318 PolarHBondContact N-O 3.41Å; D316-T318 WeakPolarHBondContact OD1-CB 3.06Å; D316-T318 PolarHBondContact OD1-N 3.38Å; D316-T318 VanDerWaalsContact OD1-N 3.11Å; D316-T318 PolarHBondContact OD1-OG1 3.16Å; D316-T318 PolarHBondContact OD2-OG1 2.95Å
319W84.8Confident77.4Confident9 Ų937.4 Ų37.43%0.03420%0.196CC..EExtended strand (participates in β ladder)trans-88.5127.4176.1-79.9117.8000111.8L24 C245 P246 L255 P256 I269 A311 C313L24-W319 HydrophobicContact CD2-CB 4.09Å; C245-W319 HydrophobicContact CB-CD2 3.88Å; C245-W319 HydrophobicContact CB-CG 4.22Å; C245-W319 HydrophobicContact CB-CH2 4.43Å; C245-W319 HydrophobicContact CB-CZ2 3.7Å; P246-W319 PolarHBondContact O-NE1 3.41Å; L255-W319 HydrophobicContact CB-CH2 4.32Å; L255-W319 HydrophobicContact CB-CZ2 3.87Å; L255-W319 HydrophobicContact CD1-CD2 3.78Å; L255-W319 HydrophobicContact CD1-CE3 4.1Å; L255-W319 HydrophobicContact CD1-CG 4.05Å; L255-W319 HydrophobicContact CD1-CZ2 4.37Å; L255-W319 HydrophobicContact CD2-CH2 4.4Å; L255-W319 HydrophobicContact CD2-CZ3 4.42Å; P256-W319 WeakPolarHBondContact O-CZ2 3.49Å; I269-W319 HydrophobicContact CD1-CH2 3.61Å; I269-W319 HydrophobicContact CD1-CZ3 4.18Å; A311-W319 HydrophobicContact CB-CE3 4.05Å; A311-W319 HydrophobicContact CB-CZ3 3.83Å; C313-W319 HydrophobicContact CB-CE3 4.09Å; C313-W319 HydrophobicContact CB-CH2 4.14Å; C313-W319 HydrophobicContact CB-CZ3 3.81Å
320H81.5Confident78.8Confident88 Ų8838.4 Ų38.441%0.40720%0.2SC..EExtended strand (participates in β ladder)trans-121.9119.2171.2-76.6-95.9000110.9L312 M314L312-H320 HydrophobicContact CB-CB 4.24Å; L312-H320 VanDerWaalsContact CB-O 3.31Å; L312-H320 WeakPolarHBondContact CB-O 3.29Å; L312-H320 PolarHBondContact N-O 3.49Å; L312-H320 PolarHBondContact O-N 3.32Å; M314-H320 HydrophobicContact CG-CB 4.43Å; M314-H320 WeakPolarHBondContact CG-CD2 3.42Å
321L75Confident79.4Confident57 Ų5736.2 Ų36.230%0.29819%0.189SC..EExtended strand (participates in β ladder)trans-89.9125.2175.4-78.176.3000109.5L24 F250 I253 T323L24-L321 HydrophobicContact CD2-CD1 4.29Å; F250-L321 HydrophobicContact CD1-CD2 4.34Å; I253-L321 HydrophobicContact CD1-CD2 3.93Å; L321-T323 VanDerWaalsContact C-N 3.28Å; L321-T323 PolarHBondContact O-N 3.32Å
322Q62.7Low79.7Confident110 Ų11036.2 Ų36.251%0.51419%0.189SC..  trans-75-12.1-174-108.2175.8-25.500114.6L310 L312L310-Q322 PolarHBondContact O-N 2.79Å; L312-Q322 HydrophobicContact CD1-CG 3.68Å; L312-Q322 HydrophobicContact CG-CG 4.18Å
323T53.9Low80.1Confident53 Ų5339 Ų3933%0.32520%0.198SC..SBendtrans-137.1148.4-164.854.70000113L321 H325L321-T323 VanDerWaalsContact C-N 3.28Å; L321-T323 PolarHBondContact O-N 3.32Å; T323-H325 VanDerWaalsContact CB-ND1 3.35Å; T323-H325 WeakPolarHBondContact CB-ND1 3.23Å; T323-H325 PolarHBondContact O-N 3.31Å
324N51.6Low80.1Confident133 Ų13341 Ų4171%0.71121%0.208SC*.SBendtrans-68.823.3165.3-83.1-10.8000111.7Y283Y283-N324 WeakPolarHBondContact CD2-O 3.27Å; Y283-N324 WeakPolarHBondContact CE2-O 3.45Å
325H58Low79.9Confident61 Ų6141.4 Ų41.428%0.28221%0.211SC..  trans-110.8142.1-170.5-50.3151.9000108.8F279 N281 T323F279-H325 HydrophobicContact CE1-CB 4.17Å; F279-H325 HydrophobicContact CE2-CB 4.2Å; F279-H325 HydrophobicContact CZ-CB 3.52Å; N281-H325 PolarHBondContact O-CD2 3.45Å; N281-H325 PolarHBondContact O-CE1 3.18Å; N281-H325 VanDerWaalsContact O-CG 3.25Å; N281-H325 PolarHBondContact O-ND1 3.5Å; N281-H325 PolarHBondContact O-NE2 2.89Å; T323-H325 VanDerWaalsContact CB-ND1 3.35Å; T323-H325 WeakPolarHBondContact CB-ND1 3.23Å; T323-H325 PolarHBondContact O-N 3.31Å
326G72Confident79.7Confident2 Ų242.7 Ų42.72%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-147.1168.3-173.100000112.1V280V280-G326 PolarHBondContact N-O 3.44Å; V280-G326 VanDerWaalsContact N-O 3.15Å
327C83.7Confident78.8Confident3 Ų346.7 Ų46.72%0.0223%0.233CC..EExtended strand (participates in β ladder)trans-84.2139.7171.8-58.10000109L252 I253 C273 I278L252-C327 HydrophobicContact CB-CB 3.65Å; L252-C327 WeakPolarHBondContact CD1-O 3.19Å; L252-C327 WeakPolarHBondContact O-CB 3.34Å; I253-C327 HydrophobicContact CG1-CB 4.31Å; I253-C327 VanDerWaalsContact CG1-SG 3.51Å; C273-C327 WeakPolarHBondContact CA-SG 3.04Å; C273-C327 HydrophobicContact CB-CB 3.82Å; C273-C327 WeakPolarHBondContact CB-SG 3.37Å; C273-C327 WeakPolarHBondContact SG-CB 3.28Å; C273-C327 CovalentContact SG-SG 2.03Å; C273-C327 PolarHBondContact SG-SG 3.01Å; I278-C327 WeakPolarHBondContact O-CA 3.33Å
328V85Confident77.6Confident12 Ų1255.3 Ų55.37%0.07327%0.273CS..EExtended strand (participates in β ladder)trans-125.8152.8171.1-62.30000108.8S277 I278 V280 D330 P354 L356S277-V328 CarbonylContact C-O 3.57Å; S277-V328 WeakPolarHBondContact CA-O 3.04Å; S277-V328 VanDerWaalsContact CB-O 3.23Å; S277-V328 WeakPolarHBondContact CB-O 3.5Å; I278-V328 HydrophobicContact CG2-CG2 4.35Å; I278-V328 PolarHBondContact N-O 2.64Å; I278-V328 PolarHBondContact O-N 3.23Å; V280-V328 HydrophobicContact CG2-CG2 3.49Å; V280-V328 VanDerWaalsContact CG2-CG2 3.49Å; V328-D330 PolarHBondContact O-N 3.34Å; V328-P354 HydrophobicContact CG2-CB 4.07Å; V328-L356 HydrophobicContact CG1-CD2 4.49Å
329C89.5Confident76.6Confident1 Ų157.5 Ų57.51%0.00729%0.286CS..EExtended strand (participates in β ladder)trans-60.9130.1176.9-610000110.3Y333 E334 L335 C342 K351 P354 G355C329-Y333 VanDerWaalsContact CB-O 3.25Å; C329-Y333 WeakPolarHBondContact CB-O 3.45Å; C329-E334 VanDerWaalsContact SG-C 3.6Å; C329-L335 VanDerWaalsContact SG-CA 3.59Å; C329-L335 PolarHBondContact SG-N 3.22Å; C329-C342 WeakPolarHBondContact CA-SG 2.98Å; C329-C342 HydrophobicContact CB-CB 3.86Å; C329-C342 WeakPolarHBondContact CB-SG 2.81Å; C329-C342 VanDerWaalsContact SG-CA 3.58Å; C329-C342 WeakPolarHBondContact SG-CB 3.4Å; C329-C342 CovalentContact SG-SG 2.04Å; C329-C342 PolarHBondContact SG-SG 3.18Å; C329-K351 PolarHBondContact O-NZ 3.31Å; C329-P354 WeakPolarHBondContact O-CA 3.34Å; C329-G355 PolarHBondContact O-N 3.47Å
330D91Very high76.1Confident26 Ų2661.6 Ų61.614%0.13931%0.306CS..PPolyproline II helixtrans-65.9170.6-178.4-16914.9000110.7G276 I278 V328 G332 Y333 K351 P354 R374G276-D330 PolarHBondContact O-N 2.03Å; I278-D330 HydrophobicContact CB-CB 4.25Å; I278-D330 HydrophobicContact CG2-CB 4.04Å; V328-D330 PolarHBondContact O-N 3.34Å; D330-G332 PolarHBondContact O-N 2.94Å; D330-Y333 HydrophobicContact CB-CD2 4.41Å; D330-Y333 PolarHBondContact O-N 3.18Å; D330-K351 PolarHBondContact O-NZ 2.78Å; D330-P354 WeakPolarHBondContact OD1-CG 3.39Å; D330-R374 IonicContact OD1-NH2 2.79Å; D330-R374 IonicContact OD2-CZ 3.99Å; D330-R374 IonicContact OD2-NH2 3.87Å; D330-R374 PolarHBondContact OD2-NH2 3.42Å
331A87.5Confident76.2Confident1 Ų159.7 Ų59.71%0.00830%0.301CS..THydrogen-bonded Turntrans-57132.717000000110.2K351 S352 R374A331-K351 CarbonylContact C-O 3.59Å; A331-K351 WeakPolarHBondContact CA-O 3.4Å; A331-K351 WeakPolarHBondContact CB-O 3.39Å; A331-S352 WeakPolarHBondContact CB-O 3.36Å; A331-R374 HydrophobicContact CB-CB 4.34Å; A331-R374 HydrophobicContact CB-CG 3.73Å
332G89.7Confident76.9Confident0 Ų057.6 Ų57.60%029%0.291CS..THydrogen-bonded Turntrans82.75.1-172.300000115D330 A344 C345 K351 G372D330-G332 PolarHBondContact O-N 2.94Å; G332-A344 CarbonylContact O-C 3.4Å; G332-A344 WeakPolarHBondContact O-CA 3.38Å; G332-C345 PolarHBondContact O-N 3.46Å; G332-C345 PolarHBondContact O-SG 3.02Å; G332-K351 PolarHBondContact N-O 3.08Å; G332-G372 WeakPolarHBondContact O-CA 3.41Å
333Y92.6Very high78.2Confident81 Ų8157.4 Ų57.432%0.31829%0.29SS..EExtended strand (participates in β ladder)trans-131137.4178-66.7-101.2000112.3G276 C329 D330 C342 Q343 A344 K351G276-Y333 WeakPolarHBondContact O-CB 3.38Å; C329-Y333 VanDerWaalsContact CB-O 3.25Å; C329-Y333 WeakPolarHBondContact CB-O 3.45Å; D330-Y333 HydrophobicContact CB-CD2 4.41Å; D330-Y333 PolarHBondContact O-N 3.18Å; Y333-C342 HydrophobicContact CD1-CB 4.5Å; Y333-Q343 CarbonylContact C-O 3.58Å; Y333-Q343 WeakPolarHBondContact CA-O 3.39Å; Y333-A344 HydrophobicContact CD1-CB 4.02Å; Y333-A344 HydrophobicContact CE1-CB 3.75Å; Y333-K351 WeakPolarHBondContact O-CD 3.48Å; Y333-K351 WeakPolarHBondContact O-CE 3.49Å; Y333-K351 PolarHBondContact O-NZ 3.37Å
334E89.4Confident80Confident42 Ų4256.2 Ų56.220%0.19629%0.286CS..EExtended strand (participates in β ladder)trans-112154.5174.861.4-175.5-179.600112.7C329 C342 Q343 C359C329-E334 VanDerWaalsContact SG-C 3.6Å; E334-C342 CarbonylContact O-C 3.56Å; E334-C342 VanDerWaalsContact O-CA 3.3Å; E334-C342 WeakPolarHBondContact O-CA 3.44Å; E334-Q343 PolarHBondContact N-O 3.31Å; E334-Q343 PolarHBondContact O-N 2.91Å; E334-C359 HydrophobicContact CB-CB 4.5Å; E334-C359 VanDerWaalsContact CB-SG 3.53Å; E334-C359 WeakPolarHBondContact OE2-CB 3.37Å; E334-C359 PolarHBondContact OE2-N 2.6Å; E334-C359 PolarHBondContact OE2-SG 2.94Å
335L84.8Confident81.9Confident65 Ų6549.9 Ų49.934%0.3425%0.252SS..EExtended strand (participates in β ladder)trans-81.9125.1177.5179.966.1000109.8L252 C329L252-L335 HydrophobicContact CD1-CD1 4.16Å; L252-L335 HydrophobicContact CD2-CD1 3.71Å; L252-L335 HydrophobicContact CG-CD1 4.16Å; C329-L335 VanDerWaalsContact SG-CA 3.59Å; C329-L335 PolarHBondContact SG-N 3.22Å
336V81.7Confident83.4Confident37 Ų3748.1 Ų48.122%0.22425%0.245CC..EExtended strand (participates in β ladder)trans-92.8108172-178.40000108.4H338 T339 E340 T341 Q343V336-H338 PolarHBondContact O-N 2.93Å; V336-H338 VanDerWaalsContact O-N 3.14Å; V336-T339 WeakPolarHBondContact CB-OG1 3.42Å; V336-T339 HydrophobicContact CG1-CG2 4.4Å; V336-T339 WeakPolarHBondContact CG1-OG1 3.08Å; V336-T339 PolarHBondContact O-N 3.29Å; V336-T339 VanDerWaalsContact O-N 3.14Å; V336-T339 PolarHBondContact O-OG1 2.99Å; V336-E340 PolarHBondContact O-N 3.16Å; V336-E340 VanDerWaalsContact O-N 3.11Å; V336-T341 PolarHBondContact N-O 2.97Å; V336-Q343 HydrophobicContact CG2-CB 3.73Å
337E66.9Low84.1Confident167 Ų16753 Ų5378%0.7826%0.263SS*.THydrogen-bonded Turntrans-58-31.5-169.1-68.1-172.5166.700114
338H61.1Low84.1Confident181 Ų18153.3 Ų53.384%0.83827%0.267SS*.THydrogen-bonded Turntrans-81.4-18.2-177.9-57.2-43.4000114.5V336V336-H338 PolarHBondContact O-N 2.93Å; V336-H338 VanDerWaalsContact O-N 3.14Å
339T66.3Low84.3Confident78 Ų7854.7 Ų54.748%0.47927%0.273SS..THydrogen-bonded Turntrans-117-9.3-173.257.20000113.2V336 T341V336-T339 WeakPolarHBondContact CB-OG1 3.42Å; V336-T339 HydrophobicContact CG1-CG2 4.4Å; V336-T339 WeakPolarHBondContact CG1-OG1 3.08Å; V336-T339 PolarHBondContact O-N 3.29Å; V336-T339 VanDerWaalsContact O-N 3.14Å; V336-T339 PolarHBondContact O-OG1 2.99Å; T339-T341 WeakPolarHBondContact O-CG2 3.34Å; T339-T341 PolarHBondContact O-N 3.44Å; T339-T341 PolarHBondContact OG1-OG1 3.02Å
340E74.2Confident84.2Confident95 Ų9554.7 Ų54.744%0.44427%0.273SS..THydrogen-bonded Turntrans48.836.8-170.4-60.5-167.8172.900112.5L252 V336L252-E340 VanDerWaalsContact CD2-O 3.3Å; L252-E340 WeakPolarHBondContact CD2-O 3.48Å; V336-E340 PolarHBondContact O-N 3.16Å; V336-E340 VanDerWaalsContact O-N 3.11Å
341T83.6Confident84.1Confident48 Ų4853.8 Ų53.829%0.29427%0.268SS..EExtended strand (participates in β ladder)trans-117.1149.3177.257.60000111V336 T339V336-T341 PolarHBondContact N-O 2.97Å; T339-T341 WeakPolarHBondContact O-CG2 3.34Å; T339-T341 PolarHBondContact O-N 3.44Å; T339-T341 PolarHBondContact OG1-OG1 3.02Å
342C89.7Confident84Confident14 Ų1456.2 Ų56.210%0.09528%0.284CS..EExtended strand (participates in β ladder)trans-88.8117.2171-64.80000110.4G276 C329 Y333 E334G276-C342 WeakPolarHBondContact O-CB 3.45Å; C329-C342 WeakPolarHBondContact CA-SG 2.98Å; C329-C342 HydrophobicContact CB-CB 3.86Å; C329-C342 WeakPolarHBondContact CB-SG 2.81Å; C329-C342 VanDerWaalsContact SG-CA 3.58Å; C329-C342 WeakPolarHBondContact SG-CB 3.4Å; C329-C342 CovalentContact SG-SG 2.04Å; C329-C342 PolarHBondContact SG-SG 3.18Å; Y333-C342 HydrophobicContact CD1-CB 4.5Å; E334-C342 CarbonylContact O-C 3.56Å; E334-C342 VanDerWaalsContact O-CA 3.3Å; E334-C342 WeakPolarHBondContact O-CA 3.44Å
343Q90.6Very high83.5Confident106 Ų10658.2 Ų58.250%0.49530%0.299SS..EExtended strand (participates in β ladder)trans-100.8139.2176.1-178.4172-18.300109.8Y333 E334 V336 C345Y333-Q343 CarbonylContact C-O 3.58Å; Y333-Q343 WeakPolarHBondContact CA-O 3.39Å; E334-Q343 PolarHBondContact N-O 3.31Å; E334-Q343 PolarHBondContact O-N 2.91Å; V336-Q343 HydrophobicContact CG2-CB 3.73Å; Q343-C345 PolarHBondContact O-N 3Å
344A91.8Very high83Confident28 Ų2857.2 Ų57.223%0.23130%0.302CS..EExtended strand (participates in β ladder)trans-61.9137.4175.700000110.3G332 Y333 A371G332-A344 CarbonylContact O-C 3.4Å; G332-A344 WeakPolarHBondContact O-CA 3.38Å; Y333-A344 HydrophobicContact CD1-CB 4.02Å; Y333-A344 HydrophobicContact CE1-CB 3.75Å; A344-A371 HydrophobicContact CB-CB 4.46Å
345C91.9Very high82.6Confident0 Ų055.9 Ų55.90%030%0.3CS..PPolyproline II helixtrans-50.9129.5176.2-66.60000109.2G332 Q343 M349 C359 A371 G372G332-C345 PolarHBondContact O-N 3.46Å; G332-C345 PolarHBondContact O-SG 3.02Å; Q343-C345 PolarHBondContact O-N 3Å; C345-M349 HydrophobicContact CB-CB 4.44Å; C345-C359 WeakPolarHBondContact CA-SG 3.31Å; C345-C359 HydrophobicContact CB-CB 3.79Å; C345-C359 WeakPolarHBondContact CB-SG 3.42Å; C345-C359 WeakPolarHBondContact SG-CB 3.19Å; C345-C359 CovalentContact SG-SG 2.03Å; C345-C359 PolarHBondContact SG-SG 2.77Å; C345-A371 CarbonylContact O-C 3.35Å; C345-A371 WeakPolarHBondContact O-CA 3.43Å; C345-A371 WeakPolarHBondContact O-CB 3.41Å; C345-G372 PolarHBondContact O-N 3.26Å
346P88.5Confident82Confident23 Ų2358.4 Ų58.415%0.14931%0.313CS..PPolyproline II helixtrans-61.9164.1177.128-34.8000109.8G348 M349P346-G348 PolarHBondContact O-N 2.81Å; P346-M349 HydrophobicContact CG-CB 4.15Å; P346-M349 HydrophobicContact CG-CG 4.02Å; P346-M349 HydrophobicContact CG-SD 3.51Å; P346-M349 VanDerWaalsContact CG-SD 3.51Å; P346-M349 PolarHBondContact O-N 3.46Å; P346-M349 VanDerWaalsContact O-N 3.09Å
347R86.9Confident81.5Confident106 Ų10661.3 Ų61.340%0.432%0.324SS..THydrogen-bonded Turntrans-47142.2178.4-168.9176.8168.2157.6-2109.3M349 A368 P369 Y918R347-M349 PolarHBondContact O-N 3.43Å; R347-A368 VanDerWaalsContact CG-O 3.28Å; R347-A368 WeakPolarHBondContact CG-O 3.37Å; R347-P369 WeakPolarHBondContact CD-O 3.24Å; R347-P369 WeakPolarHBondContact CG-O 3.37Å; R347-P369 PolarHBondContact NE-O 2.85Å; R347-Y918 HydrophobicContact CB-CE1 3.84Å; R347-Y918 HydrophobicContact CB-CE2 4.01Å; R347-Y918 VanDerWaalsContact CD-CE1 3.42Å; R347-Y918 HydrophobicContact CG-CD1 4.44Å; R347-Y918 HydrophobicContact CG-CE1 3.46Å; R347-Y918 VanDerWaalsContact CG-CE1 3.46Å; R347-Y918 WeakPolarHBondContact O-CE2 3.5Å; R347-Y918 PolarHBondContact O-OH 2.99Å
348G83Confident82.3Confident9 Ų957.9 Ų57.99%0.09332%0.316CS..THydrogen-bonded Turntrans57.713.7177.800000116.3P346 C362 A368 Y918P346-G348 PolarHBondContact O-N 2.81Å; G348-C362 VanDerWaalsContact C-SG 3.56Å; G348-C362 WeakPolarHBondContact O-CB 3.38Å; G348-C362 PolarHBondContact O-N 2.91Å; G348-C362 PolarHBondContact O-SG 2.95Å; G348-C362 VanDerWaalsContact O-SG 3.33Å; G348-A368 PolarHBondContact N-O 3.03Å; G348-Y918 WeakPolarHBondContact CA-OH 3.31Å; G348-Y918 PolarHBondContact N-OH 3.01Å
349M89.3Confident83.6Confident40 Ų4049.7 Ų49.720%0.19728%0.279CS..EExtended strand (participates in β ladder)trans-108.6158.1155.1-58.5-175.570.100108.3C345 P346 R347 C359 S360 I361C345-M349 HydrophobicContact CB-CB 4.44Å; P346-M349 HydrophobicContact CG-CB 4.15Å; P346-M349 HydrophobicContact CG-CG 4.02Å; P346-M349 HydrophobicContact CG-SD 3.51Å; P346-M349 VanDerWaalsContact CG-SD 3.51Å; P346-M349 PolarHBondContact O-N 3.46Å; P346-M349 VanDerWaalsContact O-N 3.09Å; R347-M349 PolarHBondContact O-N 3.43Å; M349-C359 HydrophobicContact CB-CB 4.02Å; M349-C359 HydrophobicContact CE-CB 4.02Å; M349-C359 WeakPolarHBondContact CE-O 3.22Å; M349-S360 CarbonylContact C-O 3.6Å; M349-S360 WeakPolarHBondContact CA-O 3.31Å; M349-S360 VanDerWaalsContact CB-O 3.29Å; M349-S360 WeakPolarHBondContact CB-O 3.07Å; M349-I361 HydrophobicContact CE-CG1 4.18Å; M349-I361 HydrophobicContact CG-CG1 4.39Å
350F88Confident84.5Confident2 Ų248 Ų481%0.00927%0.271CS..EExtended strand (participates in β ladder)trans-142.6166.2179.276.8-76.5000111C359 S360 F373 R374 C376 A391 E392F350-C359 WeakPolarHBondContact O-CA 3.27Å; F350-S360 WeakPolarHBondContact CD1-O 3.46Å; F350-S360 WeakPolarHBondContact CD1-OG 3.17Å; F350-S360 WeakPolarHBondContact CE1-OG 3.44Å; F350-S360 WeakPolarHBondContact CZ-OG 3.01Å; F350-S360 PolarHBondContact N-O 3.42Å; F350-S360 PolarHBondContact O-N 2.63Å; F350-S360 PolarHBondContact O-OG 2.99Å; F350-F373 VanDerWaalsContact CA-O 3.23Å; F350-F373 WeakPolarHBondContact CA-O 3.22Å; F350-F373 HydrophobicContact CB-CB 4.45Å; F350-F373 WeakPolarHBondContact CB-O 3.21Å; F350-R374 WeakPolarHBondContact CD2-O 3.39Å; F350-C376 WeakPolarHBondContact CD1-SG 3.34Å; F350-C376 VanDerWaalsContact CG-SG 3.54Å; F350-A391 HydrophobicContact CD2-CB 3.99Å; F350-A391 HydrophobicContact CE2-CB 3.44Å; F350-A391 VanDerWaalsContact CE2-CB 3.44Å; F350-A391 HydrophobicContact CZ-CB 4.26Å; F350-E392 HydrophobicContact CE2-CG 4.18Å; F350-E392 HydrophobicContact CZ-CB 4.29Å; F350-E392 HydrophobicContact CZ-CG 3.69Å
351K89.3Confident85Confident7 Ų748.8 Ų48.83%0.0328%0.277CS..  trans-150.1115168.3-177.8-169.6-177.2-164.30109.7C329 D330 A331 G332 Y333 S353 G355 Q357 F373 R374C329-K351 PolarHBondContact O-NZ 3.31Å; D330-K351 PolarHBondContact O-NZ 2.78Å; A331-K351 CarbonylContact C-O 3.59Å; A331-K351 WeakPolarHBondContact CA-O 3.4Å; A331-K351 WeakPolarHBondContact CB-O 3.39Å; G332-K351 PolarHBondContact N-O 3.08Å; Y333-K351 WeakPolarHBondContact O-CD 3.48Å; Y333-K351 WeakPolarHBondContact O-CE 3.49Å; Y333-K351 PolarHBondContact O-NZ 3.37Å; K351-S353 VanDerWaalsContact CE-O 3.23Å; K351-S353 WeakPolarHBondContact CE-O 3.42Å; K351-G355 PolarHBondContact NZ-O 2.79Å; K351-Q357 VanDerWaalsContact CE-O 3.22Å; K351-Q357 WeakPolarHBondContact CE-O 3.49Å; K351-F373 PolarHBondContact N-O 3.12Å; K351-F373 VanDerWaalsContact N-O 3.08Å; K351-R374 CarbonylContact C-O 3.56Å; K351-R374 WeakPolarHBondContact O-CA 3.46Å
352S83.7Confident85Confident51 Ų5147.5 Ų47.536%0.35727%0.269SS..  trans-76.3-32.8-169.2500000114.9A331 R374A331-S352 WeakPolarHBondContact CB-O 3.36Å; S352-R374 WeakPolarHBondContact CA-O 3.23Å; S352-R374 PolarHBondContact N-O 2.97Å
353S81Confident84.6Confident43 Ų4347.8 Ų47.830%0.30127%0.271SS..SBendtrans-130.3153.9-17454.80000112.3K351K351-S353 VanDerWaalsContact CE-O 3.23Å; K351-S353 WeakPolarHBondContact CE-O 3.42Å
354P81.4Confident83.8Confident59 Ų5949 Ų4938%0.38328%0.28SS..SBendtrans-61.8137.8169.2-18.230.2000111.1I278 V328 C329 D330I278-P354 HydrophobicContact CG2-CB 3.61Å; I278-P354 HydrophobicContact CG2-CG 3.99Å; V328-P354 HydrophobicContact CG2-CB 4.07Å; C329-P354 WeakPolarHBondContact O-CA 3.34Å; D330-P354 WeakPolarHBondContact OD1-CG 3.39Å
355G80.2Confident83.3Confident15 Ų1550 Ų5016%0.15528%0.282CS..SBendtrans164.7-172.1-179.600000114.1C329 K351C329-G355 PolarHBondContact O-N 3.47Å; K351-G355 PolarHBondContact NZ-O 2.79Å
356L72.1Confident83Confident118 Ų11850.1 Ų50.162%0.61828%0.283SS*.SBendtrans-90.9-2.9-179.7-64.3170.4000113.4V328V328-L356 HydrophobicContact CG1-CD2 4.49Å
357Q72.1Confident83Confident97 Ų9751.4 Ų51.445%0.45329%0.288SS..PPolyproline II helixtrans-68.7138.3-179.9-69.5165-38.600110.4K351K351-Q357 VanDerWaalsContact CE-O 3.22Å; K351-Q357 WeakPolarHBondContact CE-O 3.49Å
358P83.5Confident83.1Confident96 Ų9646.3 Ų46.362%0.62327%0.268SS*.PPolyproline II helixtrans-66.9164.2172.330.6-34.8000110.3
359C88.3Confident83Confident8 Ų847.6 Ų47.65%0.05428%0.275CS..PPolyproline II helixtrans-62.6143173.1-61.90000109.8E334 C345 M349 F350E334-C359 HydrophobicContact CB-CB 4.5Å; E334-C359 VanDerWaalsContact CB-SG 3.53Å; E334-C359 WeakPolarHBondContact OE2-CB 3.37Å; E334-C359 PolarHBondContact OE2-N 2.6Å; E334-C359 PolarHBondContact OE2-SG 2.94Å; C345-C359 WeakPolarHBondContact CA-SG 3.31Å; C345-C359 HydrophobicContact CB-CB 3.79Å; C345-C359 WeakPolarHBondContact CB-SG 3.42Å; C345-C359 WeakPolarHBondContact SG-CB 3.19Å; C345-C359 CovalentContact SG-SG 2.03Å; C345-C359 PolarHBondContact SG-SG 2.77Å; M349-C359 HydrophobicContact CB-CB 4.02Å; M349-C359 HydrophobicContact CE-CB 4.02Å; M349-C359 WeakPolarHBondContact CE-O 3.22Å; F350-C359 WeakPolarHBondContact O-CA 3.27Å
360S84.7Confident82.8Confident43 Ų4351.9 Ų51.930%0.30129%0.294SS..EExtended strand (participates in β ladder)trans-105.2151.6177.355.30000110.5M349 F350M349-S360 CarbonylContact C-O 3.6Å; M349-S360 WeakPolarHBondContact CA-O 3.31Å; M349-S360 VanDerWaalsContact CB-O 3.29Å; M349-S360 WeakPolarHBondContact CB-O 3.07Å; F350-S360 WeakPolarHBondContact CD1-O 3.46Å; F350-S360 WeakPolarHBondContact CD1-OG 3.17Å; F350-S360 WeakPolarHBondContact CE1-OG 3.44Å; F350-S360 WeakPolarHBondContact CZ-OG 3.01Å; F350-S360 PolarHBondContact N-O 3.42Å; F350-S360 PolarHBondContact O-N 2.63Å; F350-S360 PolarHBondContact O-OG 2.99Å
361I85Confident82.9Confident111 Ų11154.9 Ų54.957%0.56932%0.319SS*.EExtended strand (participates in β ladder)trans-70.9140.6178-58.2171.4000109M349M349-I361 HydrophobicContact CE-CG1 4.18Å; M349-I361 HydrophobicContact CG-CG1 4.39Å
362C84.1Confident82.8Confident21 Ų2155.7 Ų55.714%0.14233%0.33CS..PPolyproline II helixtrans-55132.7174.7-77.40000111.4G348 A368 C376G348-C362 VanDerWaalsContact C-SG 3.56Å; G348-C362 WeakPolarHBondContact O-CB 3.38Å; G348-C362 PolarHBondContact O-N 2.91Å; G348-C362 PolarHBondContact O-SG 2.95Å; G348-C362 VanDerWaalsContact O-SG 3.33Å; C362-A368 VanDerWaalsContact SG-CB 3.52Å; C362-A368 PolarHBondContact SG-N 3.35Å; C362-C376 WeakPolarHBondContact CA-SG 3.48Å; C362-C376 HydrophobicContact CB-CB 3.79Å; C362-C376 WeakPolarHBondContact CB-SG 3.3Å; C362-C376 WeakPolarHBondContact SG-CB 3.41Å; C362-C376 CovalentContact SG-SG 2.03Å; C362-C376 PolarHBondContact SG-SG 2.79Å
363P82Confident83Confident20 Ų2054.8 Ų54.813%0.1332%0.319CS..PPolyproline II helixtrans-69.1171-179.231.3-37.8000112S366 E392 H393P363-S366 VanDerWaalsContact CD-OG 3.25Å; P363-S366 WeakPolarHBondContact CD-OG 3.15Å; P363-S366 WeakPolarHBondContact O-CB 3.3Å; P363-S366 PolarHBondContact O-N 3.09Å; P363-S366 PolarHBondContact O-OG 3.33Å; P363-E392 VanDerWaalsContact CB-O 3.27Å; P363-E392 WeakPolarHBondContact CB-O 3.42Å; P363-H393 WeakPolarHBondContact CG-O 3.33Å
364L73.1Confident83.3Confident132 Ų13259 Ų5969%0.69133%0.329SS*.THydrogen-bonded Turntrans-58.8146.3-174.3-67.9172000111.9S366 S394 C395L364-S366 PolarHBondContact O-N 2.81Å; L364-S394 PolarHBondContact N-OG 2.88Å; L364-C395 PolarHBondContact O-N 3Å
365N81.1Confident83.5Confident50 Ų5059.2 Ų59.227%0.26733%0.326SS..THydrogen-bonded Turntrans56.225.7-176.3-47.3-50.8000114.8L379 Y382 C395N365-L379 WeakPolarHBondContact O-CG 3.39Å; N365-L379 PolarHBondContact O-N 3.31Å; N365-Y382 HydrophobicContact CB-CD1 3.48Å; N365-Y382 VanDerWaalsContact CB-CD1 3.48Å; N365-Y382 HydrophobicContact CB-CD2 4.05Å; N365-Y382 HydrophobicContact CB-CE1 3.87Å; N365-Y382 HydrophobicContact CB-CE2 4.39Å; N365-Y382 HydrophobicContact CB-CG 3.58Å; N365-Y382 VanDerWaalsContact CG-CD1 3.42Å; N365-Y382 WeakPolarHBondContact ND2-CD1 3.44Å; N365-Y382 VanDerWaalsContact ND2-CE1 3.27Å; N365-Y382 WeakPolarHBondContact ND2-CE1 3.36Å; N365-C395 HydrophobicContact CB-CB 4.09Å; N365-C395 WeakPolarHBondContact CB-O 3.09Å; N365-C395 PolarHBondContact ND2-O 2.83Å; N365-C395 WeakPolarHBondContact O-CB 3.46Å
366S86.7Confident83.8Confident2 Ų258.6 Ų58.61%0.01432%0.319CS..EExtended strand (participates in β ladder)trans-127170.4173.379.30000112.3P363 L364 C376 H377 K921P363-S366 VanDerWaalsContact CD-OG 3.25Å; P363-S366 WeakPolarHBondContact CD-OG 3.15Å; P363-S366 WeakPolarHBondContact O-CB 3.3Å; P363-S366 PolarHBondContact O-N 3.09Å; P363-S366 PolarHBondContact O-OG 3.33Å; L364-S366 PolarHBondContact O-N 2.81Å; S366-C376 WeakPolarHBondContact OG-CB 3.43Å; S366-H377 CarbonylContact C-O 3.5Å; S366-H377 WeakPolarHBondContact CA-O 3.45Å; S366-H377 VanDerWaalsContact CB-O 3.31Å; S366-H377 WeakPolarHBondContact CB-O 3.47Å; S366-K921 PolarHBondContact O-NZ 3.14Å
367I87.8Confident84.6Confident49 Ų4958 Ų5825%0.25131%0.313SS..EExtended strand (participates in β ladder)trans-151.1144.3-178.9-167.4165.5000111.7H377 L379I367-H377 PolarHBondContact N-O 2.94Å; I367-H377 PolarHBondContact O-N 3.23Å; I367-L379 HydrophobicContact CB-CD2 4.1Å; I367-L379 HydrophobicContact CG2-CD2 3.9Å
368A88.4Confident85.1Confident0 Ų055.4 Ų55.40%031%0.305CS..  trans-115.5101.6162.100000108.6R347 G348 C362 H370 F373R347-A368 VanDerWaalsContact CG-O 3.28Å; R347-A368 WeakPolarHBondContact CG-O 3.37Å; G348-A368 PolarHBondContact N-O 3.03Å; C362-A368 VanDerWaalsContact SG-CB 3.52Å; C362-A368 PolarHBondContact SG-N 3.35Å; A368-H370 PolarHBondContact O-N 3.41Å; A368-F373 HydrophobicContact CB-CB 3.58Å; A368-F373 HydrophobicContact CB-CD1 3.81Å; A368-F373 HydrophobicContact CB-CD2 4.1Å; A368-F373 HydrophobicContact CB-CG 3.53Å
369P82.1Confident85.1Confident36 Ų3653.5 Ų53.523%0.23429%0.289CS..  trans-71.2-23.9-17023.2-33.3000115.2R347 F373R347-P369 WeakPolarHBondContact CD-O 3.24Å; R347-P369 WeakPolarHBondContact CG-O 3.37Å; R347-P369 PolarHBondContact NE-O 2.85Å; P369-F373 VanDerWaalsContact CD-CZ 3.45Å; P369-F373 HydrophobicContact CG-CE1 4.15Å; P369-F373 HydrophobicContact CG-CE2 4.19Å; P369-F373 HydrophobicContact CG-CZ 3.58Å
370H85.5Confident84.5Confident130 Ų13059.1 Ų59.160%0.60233%0.329SS*.SBendtrans-126.8172178.4-34.387.8000110A368 F373A368-H370 PolarHBondContact O-N 3.41Å; H370-F373 HydrophobicContact CB-CD2 4.44Å; H370-F373 HydrophobicContact CB-CE2 3.76Å; H370-F373 AromaticContact ND1-CE2 3.55Å; H370-F373 AromaticContact ND1-CZ 3.73Å; H370-F373 WeakPolarHBondContact O-CD2 3.48Å
371A88.3Confident83.9Confident64 Ų6458.9 Ų58.953%0.52933%0.333SS..SBendtrans-71.2157.1173.500000111.4A344 C345A344-A371 HydrophobicContact CB-CB 4.46Å; C345-A371 CarbonylContact O-C 3.35Å; C345-A371 WeakPolarHBondContact O-CA 3.43Å; C345-A371 WeakPolarHBondContact O-CB 3.41Å
372G87.8Confident83.7Confident24 Ų2456.2 Ų56.225%0.24732%0.316CS..SBendtrans81.222.6173.600000115.7G332 C345G332-G372 WeakPolarHBondContact O-CA 3.41Å; C345-G372 PolarHBondContact O-N 3.26Å
373F87.1Confident83.3Confident32 Ų3258.6 Ų58.614%0.1432%0.324CS..  trans-74.1133.3-177.9-93.2-112.7000112.7F350 K351 A368 P369 H370 I375 H377F350-F373 VanDerWaalsContact CA-O 3.23Å; F350-F373 WeakPolarHBondContact CA-O 3.22Å; F350-F373 HydrophobicContact CB-CB 4.45Å; F350-F373 WeakPolarHBondContact CB-O 3.21Å; K351-F373 PolarHBondContact N-O 3.12Å; K351-F373 VanDerWaalsContact N-O 3.08Å; A368-F373 HydrophobicContact CB-CB 3.58Å; A368-F373 HydrophobicContact CB-CD1 3.81Å; A368-F373 HydrophobicContact CB-CD2 4.1Å; A368-F373 HydrophobicContact CB-CG 3.53Å; P369-F373 VanDerWaalsContact CD-CZ 3.45Å; P369-F373 HydrophobicContact CG-CE1 4.15Å; P369-F373 HydrophobicContact CG-CE2 4.19Å; P369-F373 HydrophobicContact CG-CZ 3.58Å; H370-F373 HydrophobicContact CB-CD2 4.44Å; H370-F373 HydrophobicContact CB-CE2 3.76Å; H370-F373 AromaticContact ND1-CE2 3.55Å; H370-F373 AromaticContact ND1-CZ 3.73Å; H370-F373 WeakPolarHBondContact O-CD2 3.48Å; F373-I375 WeakPolarHBondContact CD1-O 3.04Å; F373-H377 AromaticContact CE1-CE1 3.61Å; F373-H377 AromaticContact CE1-ND1 3.86Å
374R87.3Confident83Confident132 Ų13259.2 Ų59.250%0.49832%0.324SS..SBendtrans-82.4-31.2172.6-58.1-173.9179.3-146.7-7.8112.4D330 A331 F350 K351 S352D330-R374 IonicContact OD1-NH2 2.79Å; D330-R374 IonicContact OD2-CZ 3.99Å; D330-R374 IonicContact OD2-NH2 3.87Å; D330-R374 PolarHBondContact OD2-NH2 3.42Å; A331-R374 HydrophobicContact CB-CB 4.34Å; A331-R374 HydrophobicContact CB-CG 3.73Å; F350-R374 WeakPolarHBondContact CD2-O 3.39Å; K351-R374 CarbonylContact C-O 3.56Å; K351-R374 WeakPolarHBondContact O-CA 3.46Å; S352-R374 WeakPolarHBondContact CA-O 3.23Å; S352-R374 PolarHBondContact N-O 2.97Å
375I86.2Confident82.6Confident64 Ų6456.1 Ų56.133%0.32831%0.307SS..SBendtrans-147.2136.6-178.8-177.3162.6000110.1F373 A391F373-I375 WeakPolarHBondContact CD1-O 3.04Å; I375-A391 HydrophobicContact CB-CB 4.13Å; I375-A391 HydrophobicContact CD1-CB 3.87Å; I375-A391 HydrophobicContact CG1-CB 3.66Å
376C87.7Confident81.6Confident1 Ų155.5 Ų55.51%0.00731%0.309CS..PPolyproline II helixtrans-76.2132175.7-57.50000111.3F350 C362 S366 R384F350-C376 WeakPolarHBondContact CD1-SG 3.34Å; F350-C376 VanDerWaalsContact CG-SG 3.54Å; C362-C376 WeakPolarHBondContact CA-SG 3.48Å; C362-C376 HydrophobicContact CB-CB 3.79Å; C362-C376 WeakPolarHBondContact CB-SG 3.3Å; C362-C376 WeakPolarHBondContact SG-CB 3.41Å; C362-C376 CovalentContact SG-SG 2.03Å; C362-C376 PolarHBondContact SG-SG 2.79Å; S366-C376 WeakPolarHBondContact OG-CB 3.43Å; C376-R384 PolarHBondContact O-NH2 2.82Å
377H87.1Confident80.1Confident106 Ų10660.5 Ų60.549%0.49134%0.341SS..EExtended strand (participates in β ladder)trans-79.3143.1176.9-62.1162.4000110.7S366 I367 F373S366-H377 CarbonylContact C-O 3.5Å; S366-H377 WeakPolarHBondContact CA-O 3.45Å; S366-H377 VanDerWaalsContact CB-O 3.31Å; S366-H377 WeakPolarHBondContact CB-O 3.47Å; I367-H377 PolarHBondContact N-O 2.94Å; I367-H377 PolarHBondContact O-N 3.23Å; F373-H377 AromaticContact CE1-CE1 3.61Å; F373-H377 AromaticContact CE1-ND1 3.86Å
378C83.8Confident78.2Confident43 Ų4363.2 Ų63.229%0.29136%0.357SS..EExtended strand (participates in β ladder)trans-71.2146.6176.4-63.10000112Y382 C395C378-Y382 VanDerWaalsContact CB-O 3.27Å; C378-Y382 WeakPolarHBondContact CB-O 3.45Å; C378-C395 WeakPolarHBondContact CA-SG 3.35Å; C378-C395 HydrophobicContact CB-CB 3.68Å; C378-C395 WeakPolarHBondContact CB-SG 3.48Å; C378-C395 WeakPolarHBondContact SG-CB 3.47Å; C378-C395 CovalentContact SG-SG 2.04Å; C378-C395 PolarHBondContact SG-SG 3.25Å
379L82.8Confident76.3Confident56 Ų5666.1 Ų66.129%0.29337%0.372SS..PPolyproline II helixtrans-70.1155.7169.1-63.8176.3000110.6N365 I367 G381 Y382N365-L379 WeakPolarHBondContact O-CG 3.39Å; N365-L379 PolarHBondContact O-N 3.31Å; I367-L379 HydrophobicContact CB-CD2 4.1Å; I367-L379 HydrophobicContact CG2-CD2 3.9Å; L379-G381 PolarHBondContact O-N 2.9Å; L379-Y382 HydrophobicContact CB-CD2 4.28Å; L379-Y382 PolarHBondContact O-N 3.15Å
380S76.2Confident75.1Confident125 Ų12566.4 Ų66.487%0.87437%0.374SS*.THydrogen-bonded Turntrans-55.7133.7179.3-169.10000111.8Y382S380-Y382 VanDerWaalsContact C-N 3.31Å
381G71.7Confident74Confident38 Ų3860.6 Ų60.639%0.39235%0.349SS..THydrogen-bonded Turntrans84.2-4.4-176.500000115.5L379 F383L379-G381 PolarHBondContact O-N 2.9Å; G381-F383 VanDerWaalsContact C-CE2 3.5Å; G381-F383 WeakPolarHBondContact O-CE2 3.49Å
382Y80.6Confident72.8Confident56 Ų5661.8 Ų61.822%0.2234%0.344CS..  trans-116.1144.9175.3-63.5-96.2000110.9N365 C378 L379 S380 L396N365-Y382 HydrophobicContact CB-CD1 3.48Å; N365-Y382 VanDerWaalsContact CB-CD1 3.48Å; N365-Y382 HydrophobicContact CB-CD2 4.05Å; N365-Y382 HydrophobicContact CB-CE1 3.87Å; N365-Y382 HydrophobicContact CB-CE2 4.39Å; N365-Y382 HydrophobicContact CB-CG 3.58Å; N365-Y382 VanDerWaalsContact CG-CD1 3.42Å; N365-Y382 WeakPolarHBondContact ND2-CD1 3.44Å; N365-Y382 VanDerWaalsContact ND2-CE1 3.27Å; N365-Y382 WeakPolarHBondContact ND2-CE1 3.36Å; C378-Y382 VanDerWaalsContact CB-O 3.27Å; C378-Y382 WeakPolarHBondContact CB-O 3.45Å; L379-Y382 HydrophobicContact CB-CD2 4.28Å; L379-Y382 PolarHBondContact O-N 3.15Å; S380-Y382 VanDerWaalsContact C-N 3.31Å; Y382-L396 CarbonylContact C-O 3.45Å; Y382-L396 VanDerWaalsContact CA-O 3.29Å; Y382-L396 WeakPolarHBondContact CA-O 3.45Å
383F76.5Confident71.8Confident70 Ų7063.9 Ų63.931%0.30735%0.347SS..BIsolated β-bridgetrans-141.6153.1-172.5-49.8-91.3000111.6G381 L396 V479 K482 T483G381-F383 VanDerWaalsContact C-CE2 3.5Å; G381-F383 WeakPolarHBondContact O-CE2 3.49Å; F383-L396 PolarHBondContact N-O 3.21Å; F383-L396 PolarHBondContact O-N 3.33Å; F383-V479 HydrophobicContact CB-CG1 3.72Å; F383-V479 HydrophobicContact CD2-CG1 3.59Å; F383-V479 HydrophobicContact CG-CG1 4.05Å; F383-K482 HydrophobicContact CG-CB 4.33Å; F383-T483 HydrophobicContact CD2-CG2 4.33Å; F383-T483 HydrophobicContact CE2-CG2 3.81Å
384R74.4Confident71.2Confident34 Ų3464.5 Ų64.513%0.12836%0.355CS..  trans-84.6139.5166-65.4176.6-172.6-88.6-1.6108.7C376 A386 S390 A391 H393C376-R384 PolarHBondContact O-NH2 2.82Å; R384-A386 PolarHBondContact O-N 3.08Å; R384-S390 PolarHBondContact NH1-O 2.85Å; R384-A391 PolarHBondContact NH1-O 2.84Å; R384-A391 PolarHBondContact NH2-O 3.34Å; R384-H393 PolarHBondContact NH1-O 3.34Å
385I65.4Low70.8Confident67 Ų6758.2 Ų58.234%0.34433%0.332SS..SBendtrans-59.1-36.8-177.6-63.5164.4000111L389 L396 F428 A478 V479I385-L389 HydrophobicContact CB-CD1 3.71Å; I385-L389 HydrophobicContact CG2-CD1 4.4Å; I385-L396 HydrophobicContact CD1-CD1 3.65Å; I385-L396 HydrophobicContact CG1-CD1 3.98Å; I385-F428 HydrophobicContact CD1-CD2 4.41Å; I385-F428 HydrophobicContact CD1-CE2 3.68Å; I385-F428 HydrophobicContact CD1-CZ 4.33Å; I385-A478 HydrophobicContact CD1-CB 4.5Å; I385-A478 HydrophobicContact CG1-CB 4.36Å; I385-A478 HydrophobicContact CG2-CB 4.27Å; I385-V479 HydrophobicContact CG1-CG2 3.83Å
386A61.1Low70.5Confident36 Ų3656.3 Ų56.330%0.29832%0.322SS..SBendtrans-136.8147.7172.500000110.1R384 N388 L389R384-A386 PolarHBondContact O-N 3.08Å; A386-N388 PolarHBondContact O-N 3.44Å; A386-L389 HydrophobicContact CB-CD1 3.79Å; A386-L389 HydrophobicContact CB-CG 3.97Å; A386-L389 VanDerWaalsContact N-CD1 3.33Å; A386-L389 PolarHBondContact O-N 2.8Å
387P54Low70.1Confident107 Ų10756.2 Ų56.270%0.69532%0.321SS*.THydrogen-bonded Turntrans-64-21.7178.425.2-33.1000113.4
388N48.1Very low69.8Low107 Ų10752.3 Ų52.357%0.57231%0.305SS*.THydrogen-bonded Turntrans-98.4-4.2-176.6-65.27.2000114.4A386 E882A386-N388 PolarHBondContact O-N 3.44Å; N388-E882 VanDerWaalsContact O-OE1 3.07Å
389L49.6Very low69.8Low60 Ų6050.2 Ų50.231%0.31429%0.291SS..SBendtrans-61.9147.4176.5-77.3157.7000110.7I385 A386 A391I385-L389 HydrophobicContact CB-CD1 3.71Å; I385-L389 HydrophobicContact CG2-CD1 4.4Å; A386-L389 HydrophobicContact CB-CD1 3.79Å; A386-L389 HydrophobicContact CB-CG 3.97Å; A386-L389 VanDerWaalsContact N-CD1 3.33Å; A386-L389 PolarHBondContact O-N 2.8Å; L389-A391 PolarHBondContact O-N 2.86Å
390S57Low69.9Low42 Ų4248.6 Ų48.629%0.29429%0.285SS..  trans-44.1134.2-176.9-1790000111R384 E392 H393R384-S390 PolarHBondContact NH1-O 2.85Å; S390-E392 PolarHBondContact O-N 2.73Å; S390-E392 PolarHBondContact OG-N 3.35Å; S390-E392 PolarHBondContact OG-OE2 3.23Å; S390-H393 PolarHBondContact O-N 2.92Å
391A60.8Low70.4Confident8 Ų844.2 Ų44.27%0.06626%0.256CS..THydrogen-bonded Turntrans-51.2-22.9177.100000112.9F350 I375 R384 L389F350-A391 HydrophobicContact CD2-CB 3.99Å; F350-A391 HydrophobicContact CE2-CB 3.44Å; F350-A391 VanDerWaalsContact CE2-CB 3.44Å; F350-A391 HydrophobicContact CZ-CB 4.26Å; I375-A391 HydrophobicContact CB-CB 4.13Å; I375-A391 HydrophobicContact CD1-CB 3.87Å; I375-A391 HydrophobicContact CG1-CB 3.66Å; R384-A391 PolarHBondContact NH1-O 2.84Å; R384-A391 PolarHBondContact NH2-O 3.34Å; L389-A391 PolarHBondContact O-N 2.86Å
392E64.2Low71.3Confident89 Ų8942.8 Ų42.842%0.41624%0.24SC..THydrogen-bonded Turntrans-74.1-18.7179.7-63.3155166.300114.3F350 P363 S390F350-E392 HydrophobicContact CE2-CG 4.18Å; F350-E392 HydrophobicContact CZ-CB 4.29Å; F350-E392 HydrophobicContact CZ-CG 3.69Å; P363-E392 VanDerWaalsContact CB-O 3.27Å; P363-E392 WeakPolarHBondContact CB-O 3.42Å; S390-E392 PolarHBondContact O-N 2.73Å; S390-E392 PolarHBondContact OG-N 3.35Å; S390-E392 PolarHBondContact OG-OE2 3.23Å
393H67.1Low71.8Confident68 Ų6842.8 Ų42.832%0.31524%0.239SC..SBendtrans-71.2142.6-179.4-71.7-161000111.6P363 R384 S390P363-H393 WeakPolarHBondContact CG-O 3.33Å; R384-H393 PolarHBondContact NH1-O 3.34Å; S390-H393 PolarHBondContact O-N 2.92Å
394S73.3Confident72.5Confident46 Ų4644.3 Ų44.332%0.32225%0.251SS..PPolyproline II helixtrans-69.4147.6174.4-64.20000111.6L364L364-S394 PolarHBondContact N-OG 2.88Å
395C79.2Confident73.3Confident0 Ų043.5 Ų43.50%025%0.249CC..PPolyproline II helixtrans-78.8132.8173.1-57.60000109.3L364 N365 C378L364-C395 PolarHBondContact O-N 3Å; N365-C395 HydrophobicContact CB-CB 4.09Å; N365-C395 WeakPolarHBondContact CB-O 3.09Å; N365-C395 PolarHBondContact ND2-O 2.83Å; N365-C395 WeakPolarHBondContact O-CB 3.46Å; C378-C395 WeakPolarHBondContact CA-SG 3.35Å; C378-C395 HydrophobicContact CB-CB 3.68Å; C378-C395 WeakPolarHBondContact CB-SG 3.48Å; C378-C395 WeakPolarHBondContact SG-CB 3.47Å; C378-C395 CovalentContact SG-SG 2.04Å; C378-C395 PolarHBondContact SG-SG 3.25Å
396L79.5Confident74.5Confident23 Ų2345 Ų4512%0.1226%0.257CS..BIsolated β-bridgetrans-106.2152.2-173.5-60.3168.4000110.4Y382 F383 I385 G426 G427 F428 V479Y382-L396 CarbonylContact C-O 3.45Å; Y382-L396 VanDerWaalsContact CA-O 3.29Å; Y382-L396 WeakPolarHBondContact CA-O 3.45Å; F383-L396 PolarHBondContact N-O 3.21Å; F383-L396 PolarHBondContact O-N 3.33Å; I385-L396 HydrophobicContact CD1-CD1 3.65Å; I385-L396 HydrophobicContact CG1-CD1 3.98Å; L396-G426 WeakPolarHBondContact CA-O 3.37Å; L396-G427 WeakPolarHBondContact CD2-O 3.47Å; L396-F428 HydrophobicContact CD1-CD2 3.5Å; L396-F428 VanDerWaalsContact CD1-CD2 3.5Å; L396-F428 HydrophobicContact CD1-CE2 4.01Å; L396-F428 HydrophobicContact CD1-CG 4.5Å; L396-V479 HydrophobicContact CB-CG2 3.93Å; L396-V479 HydrophobicContact CD1-CG2 4.46Å
397G79.2Confident75.9Confident0 Ų044.5 Ų44.50%025%0.254CS..  trans-108.9167.4176.500000112.3G426 N477G397-G426 PolarHBondContact N-O 3.1Å; G397-G426 WeakPolarHBondContact O-CA 3.25Å; G397-N477 PolarHBondContact O-ND2 3.23Å
398P81Confident77.5Confident23 Ų2344.1 Ų44.115%0.14925%0.245CC..PPolyproline II helixtrans-66.6151.6167.929.8-35.1000111.1T483P398-T483 HydrophobicContact CB-CG2 4.37Å; P398-T483 HydrophobicContact CG-CG2 4.16Å
399P84Confident79.1Confident0 Ų043.6 Ų43.60%024%0.239CC..PPolyproline II helixtrans-72155.9177.133-33.6000110.6P422 R424 T431 A475 S480 N489P399-P422 HydrophobicContact CB-CB 4.39Å; P399-P422 HydrophobicContact CB-CG 4.28Å; P399-R424 CarbonylContact C-O 3.53Å; P399-R424 WeakPolarHBondContact CA-O 3.5Å; P399-T431 HydrophobicContact CB-CG2 4.26Å; P399-T431 HydrophobicContact CG-CG2 4.34Å; P399-A475 HydrophobicContact CB-CB 4.31Å; P399-A475 HydrophobicContact CG-CB 4.01Å; P399-A475 WeakPolarHBondContact CG-O 3.4Å; P399-S480 WeakPolarHBondContact CD-OG 3.44Å; P399-N489 PolarHBondContact O-ND2 2.99Å
400S85Confident80.8Confident22 Ų2244.3 Ų44.315%0.15424%0.242CC..PPolyproline II helixtrans-74.2174169.469.20000111.5P422 I423 R424 A475S400-P422 VanDerWaalsContact O-CB 3.3Å; S400-P422 WeakPolarHBondContact O-CB 3.43Å; S400-P422 VanDerWaalsContact O-CG 3.3Å; S400-P422 WeakPolarHBondContact O-CG 3.24Å; S400-P422 WeakPolarHBondContact OG-CB 3.2Å; S400-I423 PolarHBondContact OG-N 2.84Å; S400-I423 VanDerWaalsContact OG-N 3.12Å; S400-R424 PolarHBondContact N-O 3.36Å; S400-R424 PolarHBondContact OG-N 3.46Å; S400-A475 WeakPolarHBondContact O-CB 3.21Å
401A85.9Confident81.9Confident32 Ų3244.4 Ų44.426%0.26424%0.239SC..PPolyproline II helixtrans-58.3148.9173.300000111.8N489A401-N489 HydrophobicContact CB-CB 4.37Å
402P91.1Very high82.5Confident9 Ų944.3 Ų44.36%0.05824%0.239CC..PPolyproline II helixtrans-56.4157.2168.6-18.929.5000111.6W419 Y433 V473 A475 A491P402-W419 HydrophobicContact CB-CB 4.49Å; P402-W419 HydrophobicContact CB-CG 4.33Å; P402-Y433 HydrophobicContact CB-CE1 4.47Å; P402-Y433 HydrophobicContact CG-CD1 4.11Å; P402-Y433 HydrophobicContact CG-CE1 4.19Å; P402-V473 HydrophobicContact CG-CB 4.33Å; P402-V473 HydrophobicContact CG-CG1 3.93Å; P402-V473 WeakPolarHBondContact CG-O 3.19Å; P402-A475 HydrophobicContact CG-CB 4.03Å; P402-A491 HydrophobicContact CB-CB 4.18Å; P402-A491 HydrophobicContact CG-CB 4.38Å
403R91.8Very high83.3Confident55 Ų5540.6 Ų40.621%0.20822%0.222CC..EExtended strand (participates in β ladder)trans-110.9159.5179.9-71.7-151-58.3-8318.2112.1L405 W419 D420 P421 I423R403-L405 PolarHBondContact O-N 3.45Å; R403-W419 WeakPolarHBondContact O-CB 3.3Å; R403-D420 HydrophobicContact CB-CB 3.9Å; R403-D420 PolarHBondContact N-O 3.4Å; R403-D420 PolarHBondContact O-N 3Å; R403-P421 PolarHBondContact NH1-O 3.49Å; R403-I423 VanDerWaalsContact CD-CG1 3.4Å; R403-I423 HydrophobicContact CG-CD1 4.42Å; R403-I423 HydrophobicContact CG-CG1 3.95Å; R403-I423 VanDerWaalsContact NH1-N 3.12Å
404N89.9Confident84.1Confident103 Ų10337.7 Ų37.755%0.55121%0.21SC*.EExtended strand (participates in β ladder)trans48.739.8166.6-61.7-21.5000114.2N406 D420N404-N406 PolarHBondContact O-N 3.22Å; N404-N406 VanDerWaalsContact O-N 3.07Å; N404-D420 HydrophobicContact CB-CB 4.34Å; N404-D420 WeakPolarHBondContact CB-OD2 3.43Å; N404-D420 PolarHBondContact ND2-OD2 3.46Å
405L92Very high84.9Confident16 Ų1635.5 Ų35.58%0.08420%0.195CC..EExtended strand (participates in β ladder)trans-65.6109.9178.1175.763.7000109.6R403 L417 W419 V473 A491 V493R403-L405 PolarHBondContact O-N 3.45Å; L405-L417 HydrophobicContact CD1-CB 4.4Å; L405-W419 HydrophobicContact CB-CB 4.24Å; L405-W419 HydrophobicContact CD1-CB 4Å; L405-W419 HydrophobicContact CD1-CD2 4.31Å; L405-W419 HydrophobicContact CD1-CE3 3.67Å; L405-W419 HydrophobicContact CD1-CG 4.49Å; L405-V473 HydrophobicContact CD1-CG2 3.71Å; L405-V473 HydrophobicContact CD2-CB 4.27Å; L405-V473 HydrophobicContact CD2-CG2 3.76Å; L405-V473 HydrophobicContact CG-CG2 4.39Å; L405-A491 HydrophobicContact CB-CB 4.15Å; L405-A491 HydrophobicContact CD2-CB 4.12Å; L405-A491 VanDerWaalsContact CD2-O 3.23Å; L405-A491 WeakPolarHBondContact CD2-O 3.26Å; L405-V493 HydrophobicContact CD1-CG1 4.43Å; L405-V493 HydrophobicContact CD2-CB 4.03Å; L405-V493 HydrophobicContact CD2-CG1 3.81Å; L405-V493 HydrophobicContact CG-CB 4.04Å; L405-V493 HydrophobicContact CG-CG1 3.79Å
406N91.6Very high85.4Confident98 Ų9836.4 Ų36.452%0.52420%0.2SC..EExtended strand (participates in β ladder)trans-132.5148.2-176.4-72.5-21.7000111.1N404 I408 S418N404-N406 PolarHBondContact O-N 3.22Å; N404-N406 VanDerWaalsContact O-N 3.07Å; N406-I408 PolarHBondContact O-N 3.43Å; N406-S418 PolarHBondContact N-O 3.41Å; N406-S418 PolarHBondContact O-N 3.24Å; N406-S418 VanDerWaalsContact O-O 3.09Å
407A89.3Confident86.2Confident27 Ų2735.3 Ų35.322%0.22319%0.194CC..EExtended strand (participates in β ladder)trans-88.2101.7168.100000109.3I410 V415 V416 L417 V495A407-I410 HydrophobicContact CB-CD1 3.97Å; A407-I410 HydrophobicContact CB-CG1 3.92Å; A407-V415 HydrophobicContact CB-CG1 4.05Å; A407-V416 CarbonylContact C-O 3.54Å; A407-V416 WeakPolarHBondContact CA-O 3.43Å; A407-L417 HydrophobicContact CB-CD2 4.04Å; A407-V495 HydrophobicContact CB-CG1 4.24Å; A407-V495 HydrophobicContact CB-CG2 3.67Å
408I87.9Confident86.8Confident99 Ų9936.9 Ų36.951%0.50821%0.205SC..EExtended strand (participates in β ladder)trans-80-23.2-175.354.7165.2000113.1N406 V416 K457N406-I408 PolarHBondContact O-N 3.43Å; I408-V416 HydrophobicContact CD1-CG1 3.8Å; I408-V416 HydrophobicContact CG1-CB 4.03Å; I408-V416 HydrophobicContact CG1-CG1 3.79Å; I408-V416 WeakPolarHBondContact CG1-O 3.19Å; I408-V416 PolarHBondContact N-O 2.79Å; I408-K457 HydrophobicContact CD1-CD 4.5Å
409H82.6Confident87.5Confident96 Ų9635.8 Ų35.844%0.44420%0.198SC..EExtended strand (participates in β ladder)trans-143.8125.6177.9-164.4-91.3000109.3N411 V415 V416H409-N411 VanDerWaalsContact CE1-CG 3.48Å; H409-N411 PolarHBondContact CE1-OD1 2.91Å; H409-V415 WeakPolarHBondContact O-CA 3.49Å; H409-V416 HydrophobicContact CB-CB 3.92Å; H409-V416 HydrophobicContact CB-CG2 3.91Å; H409-V416 PolarHBondContact O-N 3.14Å
410I84.7Confident87.8Confident75 Ų7538.9 Ų38.939%0.38522%0.215SC..EExtended strand (participates in β ladder)trans-127.3112.5-178.7-57.5165.4000107.3A407 V415 V495 T496A407-I410 HydrophobicContact CB-CD1 3.97Å; A407-I410 HydrophobicContact CB-CG1 3.92Å; I410-V415 HydrophobicContact CG2-CG2 4.36Å; I410-V495 HydrophobicContact CD1-CG1 3.66Å; I410-V495 HydrophobicContact CG1-CG1 3.83Å; I410-V495 HydrophobicContact CG2-CG1 4.19Å; I410-T496 WeakPolarHBondContact CG2-O 3.38Å
411N79.4Confident87.9Confident43 Ų4340.8 Ų40.823%0.2323%0.226CC..  trans-100.6-179.3168.6-79.6-10.2000109.7H409 T413 S414 G498 N688H409-N411 VanDerWaalsContact CE1-CG 3.48Å; H409-N411 PolarHBondContact CE1-OD1 2.91Å; N411-T413 VanDerWaalsContact C-N 3.31Å; N411-T413 PolarHBondContact O-N 3.02Å; N411-S414 WeakPolarHBondContact CB-OG 3.45Å; N411-S414 PolarHBondContact N-O 2.84Å; N411-G498 PolarHBondContact O-N 3.43Å; N411-N688 PolarHBondContact ND2-OD1 2.89Å
412G74.4Confident87.9Confident6 Ų639.9 Ų39.96%0.06222%0.218CC..SBendtrans-67.4-27.717300000114.3N464 P465 T497 G498G412-N464 CarbonylContact O-C 3.54Å; G412-P465 WeakPolarHBondContact O-CA 3.46Å; G412-T497 WeakPolarHBondContact O-CB 3.44Å; G412-G498 WeakPolarHBondContact CA-O 3.43Å
413T80.2Confident87.1Confident11 Ų1142.7 Ų42.77%0.06723%0.232CC..SBendtrans-127.93.7-176.656.90000114.2N411 G462 L463 A500 P687N411-T413 VanDerWaalsContact C-N 3.31Å; N411-T413 PolarHBondContact O-N 3.02Å; T413-G462 PolarHBondContact O-N 3.41Å; T413-L463 VanDerWaalsContact CA-O 3.31Å; T413-L463 WeakPolarHBondContact CA-O 3.3Å; T413-L463 WeakPolarHBondContact CB-O 3.41Å; T413-L463 PolarHBondContact O-N 3.35Å; T413-A500 HydrophobicContact CG2-CB 4.21Å; T413-P687 PolarHBondContact OG1-O 3.28Å
414S83.7Confident86.1Confident8 Ų844.4 Ų44.46%0.05624%0.238CC..EExtended strand (participates in β ladder)trans-145.4147.4-179.256.80000112.5N411 I460N411-S414 WeakPolarHBondContact CB-OG 3.45Å; N411-S414 PolarHBondContact N-O 2.84Å; S414-I460 CarbonylContact C-O 3.51Å; S414-I460 WeakPolarHBondContact CA-O 3.42Å; S414-I460 WeakPolarHBondContact CB-O 3.42Å
415V90.2Very high85Confident0 Ų041.4 Ų41.40%023%0.225CC..EExtended strand (participates in β ladder)trans-132133.8177.4172.70000107.9A407 H409 I410 L417 I460 L463 F471 V495 T497A407-V415 HydrophobicContact CB-CG1 4.05Å; H409-V415 WeakPolarHBondContact O-CA 3.49Å; I410-V415 HydrophobicContact CG2-CG2 4.36Å; V415-L417 HydrophobicContact CG1-CD2 3.73Å; V415-L417 HydrophobicContact CG1-CG 4.15Å; V415-I460 PolarHBondContact N-O 2.97Å; V415-I460 PolarHBondContact O-N 2.85Å; V415-L463 HydrophobicContact CB-CD1 3.88Å; V415-L463 HydrophobicContact CG2-CD1 3.54Å; V415-F471 HydrophobicContact CG1-CE2 4.25Å; V415-V495 HydrophobicContact CG1-CG1 4.2Å; V415-V495 HydrophobicContact CG1-CG2 4.47Å; V415-V495 HydrophobicContact CG2-CG1 3.84Å; V415-T497 HydrophobicContact CG2-CG2 4.19Å
416V90.9Very high83.7Confident18 Ų1840.9 Ų40.911%0.10922%0.223CC..EExtended strand (participates in β ladder)trans-107.1112.6171.9-1750000107.9A407 I408 H409 K457 T459A407-V416 CarbonylContact C-O 3.54Å; A407-V416 WeakPolarHBondContact CA-O 3.43Å; I408-V416 HydrophobicContact CD1-CG1 3.8Å; I408-V416 HydrophobicContact CG1-CB 4.03Å; I408-V416 HydrophobicContact CG1-CG1 3.79Å; I408-V416 WeakPolarHBondContact CG1-O 3.19Å; I408-V416 PolarHBondContact N-O 2.79Å; H409-V416 HydrophobicContact CB-CB 3.92Å; H409-V416 HydrophobicContact CB-CG2 3.91Å; H409-V416 PolarHBondContact O-N 3.14Å; V416-K457 HydrophobicContact CG1-CD 4.33Å; V416-K457 HydrophobicContact CG1-CG 4.08Å; V416-T459 HydrophobicContact CG2-CG2 3.98Å
417L94.6Very high82.1Confident0 Ų038.9 Ų38.90%023%0.226CC..EExtended strand (participates in β ladder)trans-90.8140.5174.5-60.6178.8000109.4L405 A407 V415 W419 V435 K457 V458 I460 F471 V493L405-L417 HydrophobicContact CD1-CB 4.4Å; A407-L417 HydrophobicContact CB-CD2 4.04Å; V415-L417 HydrophobicContact CG1-CD2 3.73Å; V415-L417 HydrophobicContact CG1-CG 4.15Å; L417-W419 HydrophobicContact CB-CE3 4.33Å; L417-W419 HydrophobicContact CB-CZ3 4.04Å; L417-V435 HydrophobicContact CD1-CG1 4.26Å; L417-K457 WeakPolarHBondContact O-CA 3.28Å; L417-K457 WeakPolarHBondContact O-CG 3.16Å; L417-V458 PolarHBondContact N-O 3.24Å; L417-V458 PolarHBondContact O-N 2.8Å; L417-I460 HydrophobicContact CD1-CD1 3.58Å; L417-I460 HydrophobicContact CG-CD1 4.09Å; L417-F471 HydrophobicContact CD1-CB 3.53Å; L417-F471 HydrophobicContact CD1-CD1 4Å; L417-F471 HydrophobicContact CD1-CD2 4.09Å; L417-F471 HydrophobicContact CD1-CG 3.61Å; L417-F471 HydrophobicContact CD2-CD2 4.16Å; L417-F471 HydrophobicContact CD2-CG 4.49Å; L417-V493 HydrophobicContact CD2-CG1 3.91Å
418S93.5Very high80.6Confident33 Ų3340.1 Ų40.123%0.23123%0.227CC..EExtended strand (participates in β ladder)trans-136.7139171.7-167.20000108.5N406 T456N406-S418 PolarHBondContact N-O 3.41Å; N406-S418 PolarHBondContact O-N 3.24Å; N406-S418 VanDerWaalsContact O-O 3.09Å; S418-T456 WeakPolarHBondContact CA-O 3.34Å
419W94.5Very high79.2Confident1 Ų143.5 Ų43.50%0.00424%0.24CC..EExtended strand (participates in β ladder)trans-135.3170.5174.355.293.6000109.9P402 R403 L405 L417 Y433 V435 V453 E455 T456 V458 V473P402-W419 HydrophobicContact CB-CB 4.49Å; P402-W419 HydrophobicContact CB-CG 4.33Å; R403-W419 WeakPolarHBondContact O-CB 3.3Å; L405-W419 HydrophobicContact CB-CB 4.24Å; L405-W419 HydrophobicContact CD1-CB 4Å; L405-W419 HydrophobicContact CD1-CD2 4.31Å; L405-W419 HydrophobicContact CD1-CE3 3.67Å; L405-W419 HydrophobicContact CD1-CG 4.49Å; L417-W419 HydrophobicContact CB-CE3 4.33Å; L417-W419 HydrophobicContact CB-CZ3 4.04Å; W419-Y433 AromaticContact CE2-CG 3.98Å; W419-Y433 HydrophobicContact CZ2-CD2 4.15Å; W419-Y433 AromaticContact CZ2-CG 3.91Å; W419-Y433 HydrophobicContact CZ2-CG 3.91Å; W419-Y433 AromaticContact NE1-CD1 3.4Å; W419-Y433 AromaticContact NE1-CD2 3.68Å; W419-Y433 AromaticContact NE1-CE1 3.51Å; W419-Y433 AromaticContact NE1-CE2 3.81Å; W419-Y433 AromaticContact NE1-CG 3.48Å; W419-Y433 AromaticContact NE1-CZ 3.74Å; W419-V435 HydrophobicContact CH2-CG2 3.61Å; W419-V435 HydrophobicContact CZ2-CG2 4.33Å; W419-V435 HydrophobicContact CZ3-CG2 4.18Å; W419-V453 HydrophobicContact CH2-CG2 4.04Å; W419-V453 HydrophobicContact CZ2-CG2 3.88Å; W419-E455 WeakPolarHBondContact CZ2-O 3.44Å; W419-T456 PolarHBondContact N-O 3.27Å; W419-T456 WeakPolarHBondContact O-CB 3.43Å; W419-T456 PolarHBondContact O-OG1 3.01Å; W419-V458 HydrophobicContact CH2-CB 4.03Å; W419-V458 HydrophobicContact CH2-CG2 4.05Å; W419-V458 HydrophobicContact CZ3-CB 4.23Å; W419-V473 HydrophobicContact CD2-CG1 4.04Å; W419-V473 HydrophobicContact CE3-CG1 4.38Å; W419-V473 HydrophobicContact CE3-CG2 4.15Å; W419-V473 HydrophobicContact CH2-CG1 4.33Å; W419-V473 HydrophobicContact CZ2-CG1 3.97Å; W419-V473 HydrophobicContact CZ3-CG2 4.21Å
420D90.9Very high78.4Confident65 Ų6545.3 Ų45.335%0.34825%0.249SC..EExtended strand (participates in β ladder)trans-100.5150.1171-72.2-25.1000109.9R403 N404R403-D420 HydrophobicContact CB-CB 3.9Å; R403-D420 PolarHBondContact N-O 3.4Å; R403-D420 PolarHBondContact O-N 3Å; N404-D420 HydrophobicContact CB-CB 4.34Å; N404-D420 WeakPolarHBondContact CB-OD2 3.43Å; N404-D420 PolarHBondContact ND2-OD2 3.46Å
421P86.6Confident78Confident61 Ų6142.4 Ų42.440%0.39623%0.234SC..PPolyproline II helixtrans-56.6153.7175.9-2331.5000113.6R403 Y433 T456R403-P421 PolarHBondContact NH1-O 3.49Å; P421-Y433 WeakPolarHBondContact CA-OH 3.45Å; P421-T456 HydrophobicContact CG-CG2 3.95Å
422P85.6Confident78.2Confident13 Ų1343.3 Ų43.38%0.08424%0.239CC..PPolyproline II helixtrans-49.9146.6173.4-31.938.4000113.2P399 S400 R424 T431 Y433 A475P399-P422 HydrophobicContact CB-CB 4.39Å; P399-P422 HydrophobicContact CB-CG 4.28Å; S400-P422 VanDerWaalsContact O-CB 3.3Å; S400-P422 WeakPolarHBondContact O-CB 3.43Å; S400-P422 VanDerWaalsContact O-CG 3.3Å; S400-P422 WeakPolarHBondContact O-CG 3.24Å; S400-P422 WeakPolarHBondContact OG-CB 3.2Å; P422-R424 VanDerWaalsContact C-N 3.27Å; P422-R424 PolarHBondContact O-N 2.91Å; P422-T431 HydrophobicContact CG-CG2 4.03Å; P422-Y433 WeakPolarHBondContact CD-OH 3.22Å; P422-Y433 HydrophobicContact CG-CE1 4.25Å; P422-A475 HydrophobicContact CG-CB 3.69Å
423I75.9Confident78.9Confident68 Ų6843.4 Ų43.435%0.34924%0.237SC..SBendtrans-59.6-43.3173.6-66.9172.3000110.6S400 R403 N934S400-I423 PolarHBondContact OG-N 2.84Å; S400-I423 VanDerWaalsContact OG-N 3.12Å; R403-I423 VanDerWaalsContact CD-CG1 3.4Å; R403-I423 HydrophobicContact CG-CD1 4.42Å; R403-I423 HydrophobicContact CG-CG1 3.95Å; R403-I423 VanDerWaalsContact NH1-N 3.12Å; I423-N934 HydrophobicContact CG2-CB 3.13Å
424R70.4Confident79.4Confident92 Ų9244 Ų4435%0.34724%0.24SC..  trans-121109.8-180-175.1-18061145.70.4107.5P399 S400 P422 G426P399-R424 CarbonylContact C-O 3.53Å; P399-R424 WeakPolarHBondContact CA-O 3.5Å; S400-R424 PolarHBondContact N-O 3.36Å; S400-R424 PolarHBondContact OG-N 3.46Å; P422-R424 VanDerWaalsContact C-N 3.27Å; P422-R424 PolarHBondContact O-N 2.91Å; R424-G426 PolarHBondContact O-N 3.22Å
425S66.8Low79.8Confident39 Ų3943.7 Ų43.727%0.27324%0.237SC..  trans-76.5-3.6173.866.80000113.3G427 F428 N477S425-G427 VanDerWaalsContact C-N 3.29Å; S425-F428 WeakPolarHBondContact CB-O 3.1Å; S425-F428 PolarHBondContact OG-O 2.82Å; S425-N477 PolarHBondContact O-ND2 3.14Å
426G64.4Low79.8Confident5 Ų547.5 Ų47.55%0.05226%0.255CS..THydrogen-bonded Turntrans77.613.3-176.100000114L396 G397 R424L396-G426 WeakPolarHBondContact CA-O 3.37Å; G397-G426 PolarHBondContact N-O 3.1Å; G397-G426 WeakPolarHBondContact O-CA 3.25Å; R424-G426 PolarHBondContact O-N 3.22Å
427G58.4Low79.7Confident57 Ų5747.4 Ų47.459%0.58826%0.255SS*.THydrogen-bonded Turntrans92.75-178.300000114.2L396 S425L396-G427 WeakPolarHBondContact CD2-O 3.47Å; S425-G427 VanDerWaalsContact C-N 3.29Å
428F57.7Low79.4Confident52 Ų5251.6 Ų51.623%0.22828%0.275CS..  trans-107.2141.8177.8-146.4-108.1000110.2I385 L396 S425 E430I385-F428 HydrophobicContact CD1-CD2 4.41Å; I385-F428 HydrophobicContact CD1-CE2 3.68Å; I385-F428 HydrophobicContact CD1-CZ 4.33Å; L396-F428 HydrophobicContact CD1-CD2 3.5Å; L396-F428 VanDerWaalsContact CD1-CD2 3.5Å; L396-F428 HydrophobicContact CD1-CE2 4.01Å; L396-F428 HydrophobicContact CD1-CG 4.5Å; S425-F428 WeakPolarHBondContact CB-O 3.1Å; S425-F428 PolarHBondContact OG-O 2.82Å; F428-E430 HydrophobicContact CD1-CB 3.97Å; F428-E430 WeakPolarHBondContact CD1-O 3.3Å; F428-E430 HydrophobicContact CE1-CB 3.9Å
429H58.7Low78.8Confident171 Ų17153.2 Ų53.279%0.79230%0.297SS*.SBendtrans-80.1-30.7179.1-69.5-62.9000112.3T431H429-T431 PolarHBondContact O-N 3.13Å
430E64.5Low78.2Confident133 Ų13354.4 Ų54.462%0.62131%0.305SS*.  trans-94104.5-177.4-63.2178.9175.800111F428F428-E430 HydrophobicContact CD1-CB 3.97Å; F428-E430 WeakPolarHBondContact CD1-O 3.3Å; F428-E430 HydrophobicContact CE1-CB 3.9Å
431T76.8Confident77.4Confident14 Ų1455.6 Ų55.69%0.08631%0.308CS..  trans-102.9123.8170.5-56.20000108.4P399 P422 H429 Y433 A475P399-T431 HydrophobicContact CB-CG2 4.26Å; P399-T431 HydrophobicContact CG-CG2 4.34Å; P422-T431 HydrophobicContact CG-CG2 4.03Å; H429-T431 PolarHBondContact O-N 3.13Å; T431-Y433 HydrophobicContact CG2-CD1 4.45Å; T431-Y433 HydrophobicContact CG2-CE1 3.81Å; T431-Y433 HydrophobicContact CG2-CE2 4.41Å; T431-A475 HydrophobicContact CG2-CB 3.9Å
432L83.6Confident76.6Confident63 Ų6360.4 Ų60.433%0.3333%0.329SS..EExtended strand (participates in β ladder)trans-92.5140.6173.3-62.7176.5000109.2N454 H476L432-N454 HydrophobicContact CD2-CB 4.41Å; L432-N454 WeakPolarHBondContact CD2-OD1 3.25Å; L432-H476 VanDerWaalsContact CB-CE1 3.45Å; L432-H476 WeakPolarHBondContact CB-CE1 3.36Å; L432-H476 WeakPolarHBondContact CB-NE2 3.24Å; L432-H476 PolarHBondContact N-O 3.37Å; L432-H476 PolarHBondContact O-N 3.04Å; L432-H476 PolarHBondContact O-ND1 3.39Å; L432-H476 VanDerWaalsContact O-ND1 3.1Å
433Y89.7Confident75.8Confident7 Ų766.9 Ų66.93%0.02736%0.363CS..EExtended strand (participates in β ladder)trans-112.9138.6177.3-54.7-79.6000110.5P402 W419 P421 P422 T431 H452 V453 T456 V473 Y474 A475P402-Y433 HydrophobicContact CB-CE1 4.47Å; P402-Y433 HydrophobicContact CG-CD1 4.11Å; P402-Y433 HydrophobicContact CG-CE1 4.19Å; W419-Y433 AromaticContact CE2-CG 3.98Å; W419-Y433 HydrophobicContact CZ2-CD2 4.15Å; W419-Y433 AromaticContact CZ2-CG 3.91Å; W419-Y433 HydrophobicContact CZ2-CG 3.91Å; W419-Y433 AromaticContact NE1-CD1 3.4Å; W419-Y433 AromaticContact NE1-CD2 3.68Å; W419-Y433 AromaticContact NE1-CE1 3.51Å; W419-Y433 AromaticContact NE1-CE2 3.81Å; W419-Y433 AromaticContact NE1-CG 3.48Å; W419-Y433 AromaticContact NE1-CZ 3.74Å; P421-Y433 WeakPolarHBondContact CA-OH 3.45Å; P422-Y433 WeakPolarHBondContact CD-OH 3.22Å; P422-Y433 HydrophobicContact CG-CE1 4.25Å; T431-Y433 HydrophobicContact CG2-CD1 4.45Å; T431-Y433 HydrophobicContact CG2-CE1 3.81Å; T431-Y433 HydrophobicContact CG2-CE2 4.41Å; Y433-H452 WeakPolarHBondContact O-CA 3.46Å; Y433-V453 PolarHBondContact N-O 3.13Å; Y433-V453 PolarHBondContact O-N 2.98Å; Y433-T456 HydrophobicContact CE2-CG2 3.99Å; Y433-V473 HydrophobicContact CD1-CG1 4.25Å; Y433-Y474 CarbonylContact C-O 3.53Å; Y433-Y474 VanDerWaalsContact CA-O 3.23Å; Y433-Y474 WeakPolarHBondContact CA-O 3.32Å; Y433-A475 HydrophobicContact CD1-CB 4.15Å; Y433-A475 HydrophobicContact CE1-CB 4.05Å
434H90.6Very high75.5Confident24 Ų2466.2 Ų66.211%0.11136%0.362CS..EExtended strand (participates in β ladder)trans-114.9121.1170176.2-126.5000108.8N451 H452 V473 Y474 W487H434-N451 WeakPolarHBondContact CA-O 3.42Å; H434-H452 AromaticContact CD2-CD2 3.93Å; H434-H452 AromaticContact CD2-CE1 3.35Å; H434-H452 PolarHBondContact CD2-CE1 3.13Å; H434-H452 AromaticContact CD2-ND1 3.86Å; H434-H452 AromaticContact CD2-NE2 3.38Å; H434-H452 PolarHBondContact CD2-NE2 3.48Å; H434-H452 AromaticContact CG-NE2 3.91Å; H434-H452 AromaticContact NE2-CE1 3.73Å; H434-V473 WeakPolarHBondContact O-CA 3.37Å; H434-Y474 PolarHBondContact N-O 3.41Å; H434-Y474 PolarHBondContact O-N 3.25Å; H434-W487 HydrophobicContact CB-CZ3 4.19Å; H434-W487 AromaticContact CG-CZ3 3.97Å; H434-W487 AromaticContact ND1-CH2 3.71Å; H434-W487 AromaticContact ND1-CZ3 3.25Å; H434-W487 WeakPolarHBondContact ND1-CZ3 3.35Å
435V91.1Very high75.9Confident2 Ų262.4 Ų62.41%0.01235%0.349CS..EExtended strand (participates in β ladder)trans-103.1121.1-179.5-174.50000109.1L417 W419 Y447 N451 V458 I460 D472 V473L417-V435 HydrophobicContact CD1-CG1 4.26Å; W419-V435 HydrophobicContact CH2-CG2 3.61Å; W419-V435 HydrophobicContact CZ2-CG2 4.33Å; W419-V435 HydrophobicContact CZ3-CG2 4.18Å; V435-Y447 HydrophobicContact CG1-CE1 4.21Å; V435-N451 PolarHBondContact N-O 2.77Å; V435-V458 HydrophobicContact CG2-CG2 4.34Å; V435-I460 HydrophobicContact CG1-CD1 4.36Å; V435-D472 WeakPolarHBondContact CA-O 3.3Å; V435-V473 HydrophobicContact CG1-CG2 4.3Å; V435-V473 HydrophobicContact CG2-CG1 4.35Å; V435-V473 HydrophobicContact CG2-CG2 4.17Å
436Q90.1Very high76.7Confident80 Ų8066.8 Ų66.837%0.37436%0.363SS..EExtended strand (participates in β ladder)trans-117.3131.5177.6-177.7174.8-15.600109.8F471 D472 Y474Q436-F471 CarbonylContact O-C 3.58Å; Q436-F471 WeakPolarHBondContact O-CA 3.3Å; Q436-D472 PolarHBondContact N-O 3.24Å; Q436-D472 PolarHBondContact O-N 2.8Å; Q436-Y474 HydrophobicContact CB-CE2 4.28Å
437C89.3Confident77.8Confident16 Ų1669.1 Ų69.111%0.10837%0.371CS..EExtended strand (participates in β ladder)trans-103.5127.4172.1177.20000110.8C440 Y447 Q470 F471C437-C440 HydrophobicContact CB-CB 3.55Å; C437-C440 WeakPolarHBondContact CB-SG 3.33Å; C437-C440 WeakPolarHBondContact SG-CB 3.45Å; C437-C440 CovalentContact SG-SG 2.01Å; C437-C440 PolarHBondContact SG-SG 2.03Å; C437-Y447 VanDerWaalsContact CB-OH 3.3Å; C437-Y447 WeakPolarHBondContact CB-OH 3.33Å; C437-Q470 CarbonylContact C-O 3.55Å; C437-Q470 WeakPolarHBondContact CA-O 3.39Å; C437-F471 HydrophobicContact CB-CD1 3.61Å; C437-F471 HydrophobicContact CB-CE1 3.55Å; C437-F471 WeakPolarHBondContact SG-CE1 3.22Å
438Q87.6Confident78.9Confident87 Ų8771.2 Ų71.241%0.40737%0.365SS..EExtended strand (participates in β ladder)trans-92.6128168.6-52.4-172.21.500109.5Q470 D472Q438-Q470 HydrophobicContact CB-CB 4.21Å; Q438-Q470 PolarHBondContact N-O 3.33Å; Q438-Q470 PolarHBondContact O-N 3.36Å; Q438-D472 PolarHBondContact NE2-OD2 3.47Å
439G81.1Confident80.2Confident67 Ų6772.9 Ų72.969%0.69138%0.381SS*.SBendtrans91.2-6.5-175.100000114.8Y469G439-Y469 WeakPolarHBondContact O-CE1 3.34Å
440C82.5Confident81.5Confident27 Ų2765.7 Ų65.718%0.18235%0.353CS..  trans-75.2145.8172.7-74.60000112.2C437 V445 L463C437-C440 HydrophobicContact CB-CB 3.55Å; C437-C440 WeakPolarHBondContact CB-SG 3.33Å; C437-C440 WeakPolarHBondContact SG-CB 3.45Å; C437-C440 CovalentContact SG-SG 2.01Å; C437-C440 PolarHBondContact SG-SG 2.03Å; C440-V445 HydrophobicContact CB-CB 4.28Å; C440-V445 HydrophobicContact CB-CG1 4.39Å; C440-V445 HydrophobicContact CB-CG2 3.81Å; C440-L463 VanDerWaalsContact SG-CD2 3.56Å
441Q74.4Confident82.5Confident89 Ų8962.5 Ų62.542%0.41634%0.341SS..  trans-88.1131.7170.5-66.9173-15.100109.5D443 T444 V445Q441-D443 VanDerWaalsContact C-N 3.31Å; Q441-D443 PolarHBondContact O-N 2.89Å; Q441-T444 WeakPolarHBondContact CB-OG1 3.29Å; Q441-V445 WeakPolarHBondContact O-CB 3.42Å; Q441-V445 WeakPolarHBondContact O-CG2 3.19Å; Q441-V445 PolarHBondContact O-N 3.32Å
442I69.9Low83Confident162 Ų16266.8 Ų66.883%0.83136%0.359SS*.THydrogen-bonded Turntrans-62.6-35.9-170.3-64.1167.5000112.2
443D67.6Low83.2Confident150 Ų15064 Ų6480%0.80235%0.345SS*.THydrogen-bonded Turntrans-85.5-24.5-171.5-59.8-28.9000114.2Q441Q441-D443 VanDerWaalsContact C-N 3.31Å; Q441-D443 PolarHBondContact O-N 2.89Å
444T70.3Confident82.9Confident53 Ų5368.9 Ų68.933%0.32537%0.372SS..THydrogen-bonded Turntrans-96.2-34.3-174.757.50000112.4Q441Q441-T444 WeakPolarHBondContact CB-OG1 3.29Å
445V79.9Confident82.7Confident12 Ų1273.2 Ų73.27%0.07339%0.392CS..  trans-83.6123.7-173179.80000110.7C440 Q441 Y447 I460 T461 L463C440-V445 HydrophobicContact CB-CB 4.28Å; C440-V445 HydrophobicContact CB-CG1 4.39Å; C440-V445 HydrophobicContact CB-CG2 3.81Å; Q441-V445 WeakPolarHBondContact O-CB 3.42Å; Q441-V445 WeakPolarHBondContact O-CG2 3.19Å; Q441-V445 PolarHBondContact O-N 3.32Å; V445-Y447 HydrophobicContact CG1-CE2 4.26Å; V445-I460 HydrophobicContact CG1-CG2 3.45Å; V445-I460 VanDerWaalsContact CG1-CG2 3.45Å; V445-T461 VanDerWaalsContact CA-O 3.31Å; V445-T461 WeakPolarHBondContact CA-O 3.06Å; V445-L463 HydrophobicContact CG1-CD2 4.19Å; V445-L463 HydrophobicContact CG2-CD2 3.93Å
446K82.3Confident82.7Confident131 Ų13175.3 Ų75.357%0.5741%0.405SS*.EExtended strand (participates in β ladder)trans-115.2129.6178.3-65.3-176.6-178.5179.20110.9I460 T461K446-I460 WeakPolarHBondContact O-CA 3.22Å; K446-T461 PolarHBondContact N-O 2.96Å; K446-T461 PolarHBondContact O-N 3.41Å; K446-T461 PolarHBondContact O-OG1 3.41Å
447Y87Confident82.7Confident55 Ų5576.3 Ų76.322%0.21641%0.408CS..EExtended strand (participates in β ladder)trans-95.4132.4174-56.9-98000109.7V435 C437 V445 G450 N451 V458 I460V435-Y447 HydrophobicContact CG1-CE1 4.21Å; C437-Y447 VanDerWaalsContact CB-OH 3.3Å; C437-Y447 WeakPolarHBondContact CB-OH 3.33Å; V445-Y447 HydrophobicContact CG1-CE2 4.26Å; Y447-G450 VanDerWaalsContact CB-C 3.41Å; Y447-G450 WeakPolarHBondContact CB-O 3.06Å; Y447-G450 PolarHBondContact O-N 2.87Å; Y447-N451 HydrophobicContact CD1-CB 4.29Å; Y447-N451 HydrophobicContact CD2-CB 4.07Å; Y447-N451 HydrophobicContact CE2-CB 4.43Å; Y447-N451 HydrophobicContact CG-CB 4.01Å; Y447-V458 HydrophobicContact CD1-CG1 4.2Å; Y447-I460 HydrophobicContact CD1-CD1 4.2Å; Y447-I460 HydrophobicContact CD1-CG1 3.72Å; Y447-I460 HydrophobicContact CE1-CD1 4.08Å; Y447-I460 HydrophobicContact CE1-CG1 3.98Å
448Q82.5Confident82.9Confident100 Ų10075.5 Ų75.547%0.46740%0.403SS..EExtended strand (participates in β ladder)trans-124.9122.1178.4-71.1162.94.900109.2T459Q448-T459 PolarHBondContact N-O 3.42Å; Q448-T459 PolarHBondContact O-N 3.03Å
449P84Confident83Confident87 Ų8773.3 Ų73.357%0.56540%0.395SS*.SBendcis-76.9-18.64.630.6-34.7000115.3V453P449-V453 HydrophobicContact CG-CG1 3.93Å
450G86.4Confident83.4Confident20 Ų2070.1 Ų70.121%0.20636%0.362CS..  trans-175.5-178.9178.200000111.2Y447 V453Y447-G450 VanDerWaalsContact CB-C 3.41Å; Y447-G450 WeakPolarHBondContact CB-O 3.06Å; Y447-G450 PolarHBondContact O-N 2.87Å; G450-V453 WeakPolarHBondContact O-CG1 3.23Å
451N85.8Confident83.5Confident66 Ų6670.2 Ų70.235%0.35336%0.362SS..SBendtrans-85.1-18.6173.766.7-24.4000113H434 V435 Y447H434-N451 WeakPolarHBondContact CA-O 3.42Å; V435-N451 PolarHBondContact N-O 2.77Å; Y447-N451 HydrophobicContact CD1-CB 4.29Å; Y447-N451 HydrophobicContact CD2-CB 4.07Å; Y447-N451 HydrophobicContact CE2-CB 4.43Å; Y447-N451 HydrophobicContact CG-CB 4.01Å
452H87.4Confident83.7Confident104 Ų10467.5 Ų67.548%0.48136%0.358SS..EExtended strand (participates in β ladder)trans-107.2115.6168.8-65.176000107.9Y433 H434Y433-H452 WeakPolarHBondContact O-CA 3.46Å; H434-H452 AromaticContact CD2-CD2 3.93Å; H434-H452 AromaticContact CD2-CE1 3.35Å; H434-H452 PolarHBondContact CD2-CE1 3.13Å; H434-H452 AromaticContact CD2-ND1 3.86Å; H434-H452 AromaticContact CD2-NE2 3.38Å; H434-H452 PolarHBondContact CD2-NE2 3.48Å; H434-H452 AromaticContact CG-NE2 3.91Å; H434-H452 AromaticContact NE2-CE1 3.73Å
453V87.1Confident84.3Confident4 Ų459.9 Ų59.92%0.02432%0.319CS..EExtended strand (participates in β ladder)trans-136.4148.5-172.6-62.20000111.7W419 Y433 P449 G450 E455 V458W419-V453 HydrophobicContact CH2-CG2 4.04Å; W419-V453 HydrophobicContact CZ2-CG2 3.88Å; Y433-V453 PolarHBondContact N-O 3.13Å; Y433-V453 PolarHBondContact O-N 2.98Å; P449-V453 HydrophobicContact CG-CG1 3.93Å; G450-V453 WeakPolarHBondContact O-CG1 3.23Å; V453-E455 WeakPolarHBondContact CG2-O 3.21Å; V453-V458 HydrophobicContact CB-CG2 4.2Å; V453-V458 HydrophobicContact CG1-CG2 3.53Å; V453-V458 HydrophobicContact CG2-CG2 3.76Å
454N84.6Confident84.8Confident111 Ų11155.7 Ų55.759%0.59430%0.296SS*.SBendtrans-94.6-20172.5-56.424.1000110.6L432L432-N454 HydrophobicContact CD2-CB 4.41Å; L432-N454 WeakPolarHBondContact CD2-OD1 3.25Å
455E86.4Confident85.2Confident114 Ų11454.7 Ų54.753%0.53329%0.291SS..SBendtrans-79.2156.8177.1-63.6175.2-16000111.1W419 V453 K457W419-E455 WeakPolarHBondContact CZ2-O 3.44Å; V453-E455 WeakPolarHBondContact CG2-O 3.21Å; E455-K457 VanDerWaalsContact C-N 3.27Å; E455-K457 PolarHBondContact O-N 3.08Å
456T90.3Very high85.2Confident46 Ų4661 Ų6128%0.28232%0.32SS..SBendtrans-9525.8179.265.60000113.5S418 W419 P421 Y433S418-T456 WeakPolarHBondContact CA-O 3.34Å; W419-T456 PolarHBondContact N-O 3.27Å; W419-T456 WeakPolarHBondContact O-CB 3.43Å; W419-T456 PolarHBondContact O-OG1 3.01Å; P421-T456 HydrophobicContact CG-CG2 3.95Å; Y433-T456 HydrophobicContact CE2-CG2 3.99Å
457K91Very high85.1Confident101 Ų10157 Ų5744%0.43931%0.306SS..EExtended strand (participates in β ladder)trans-147.4136.2-178.3-176.4178.8176.6175.30110.2I408 V416 L417 E455I408-K457 HydrophobicContact CD1-CD 4.5Å; V416-K457 HydrophobicContact CG1-CD 4.33Å; V416-K457 HydrophobicContact CG1-CG 4.08Å; L417-K457 WeakPolarHBondContact O-CA 3.28Å; L417-K457 WeakPolarHBondContact O-CG 3.16Å; E455-K457 VanDerWaalsContact C-N 3.27Å; E455-K457 PolarHBondContact O-N 3.08Å
458V92.7Very high85.2Confident0 Ų064.3 Ų64.30%033%0.334CS..EExtended strand (participates in β ladder)trans-139.1136.1176.81470000109.7L417 W419 V435 Y447 V453 I460L417-V458 PolarHBondContact N-O 3.24Å; L417-V458 PolarHBondContact O-N 2.8Å; W419-V458 HydrophobicContact CH2-CB 4.03Å; W419-V458 HydrophobicContact CH2-CG2 4.05Å; W419-V458 HydrophobicContact CZ3-CB 4.23Å; V435-V458 HydrophobicContact CG2-CG2 4.34Å; Y447-V458 HydrophobicContact CD1-CG1 4.2Å; V453-V458 HydrophobicContact CB-CG2 4.2Å; V453-V458 HydrophobicContact CG1-CG2 3.53Å; V453-V458 HydrophobicContact CG2-CG2 3.76Å; V458-I460 HydrophobicContact CG1-CD1 4Å; V458-I460 HydrophobicContact CG1-CG1 3.62Å
459T89.3Confident85.5Confident40 Ų4060.2 Ų60.225%0.24531%0.314CS..EExtended strand (participates in β ladder)trans-101.5124.1172.6-56.70000109.4V416 Q448 T461V416-T459 HydrophobicContact CG2-CG2 3.98Å; Q448-T459 PolarHBondContact N-O 3.42Å; Q448-T459 PolarHBondContact O-N 3.03Å; T459-T461 HydrophobicContact CG2-CG2 4.05Å
460I89.8Confident85.9Confident0 Ų058.9 Ų58.90%030%0.3CS..EExtended strand (participates in β ladder)trans-112.9123.8-178.3-61.1159.1000107.4S414 V415 L417 V435 V445 K446 Y447 V458 L463 F471S414-I460 CarbonylContact C-O 3.51Å; S414-I460 WeakPolarHBondContact CA-O 3.42Å; S414-I460 WeakPolarHBondContact CB-O 3.42Å; V415-I460 PolarHBondContact N-O 2.97Å; V415-I460 PolarHBondContact O-N 2.85Å; L417-I460 HydrophobicContact CD1-CD1 3.58Å; L417-I460 HydrophobicContact CG-CD1 4.09Å; V435-I460 HydrophobicContact CG1-CD1 4.36Å; V445-I460 HydrophobicContact CG1-CG2 3.45Å; V445-I460 VanDerWaalsContact CG1-CG2 3.45Å; K446-I460 WeakPolarHBondContact O-CA 3.22Å; Y447-I460 HydrophobicContact CD1-CD1 4.2Å; Y447-I460 HydrophobicContact CD1-CG1 3.72Å; Y447-I460 HydrophobicContact CE1-CD1 4.08Å; Y447-I460 HydrophobicContact CE1-CG1 3.98Å; V458-I460 HydrophobicContact CG1-CD1 4Å; V458-I460 HydrophobicContact CG1-CG1 3.62Å; I460-L463 HydrophobicContact CG2-CD1 4.13Å; I460-L463 HydrophobicContact CG2-CD2 3.99Å; I460-L463 HydrophobicContact CG2-CG 4.15Å; I460-F471 HydrophobicContact CD1-CD1 3.66Å; I460-F471 HydrophobicContact CD1-CE1 3.49Å; I460-F471 VanDerWaalsContact CD1-CE1 3.49Å; I460-F471 HydrophobicContact CD1-CG 4.45Å; I460-F471 HydrophobicContact CD1-CZ 4.16Å; I460-F471 HydrophobicContact CG2-CE1 4.2Å
461T85.1Confident86.3Confident29 Ų2957.9 Ų57.918%0.17829%0.29CS..EExtended strand (participates in β ladder)trans-126.3160.6-176.159.90000110.4V445 K446 T459V445-T461 VanDerWaalsContact CA-O 3.31Å; V445-T461 WeakPolarHBondContact CA-O 3.06Å; K446-T461 PolarHBondContact N-O 2.96Å; K446-T461 PolarHBondContact O-N 3.41Å; K446-T461 PolarHBondContact O-OG1 3.41Å; T459-T461 HydrophobicContact CG2-CG2 4.05Å
462G77.2Confident86.6Confident32 Ų3255 Ų5533%0.3327%0.274SS..  trans86.319.9-178.600000113.8T413T413-G462 PolarHBondContact O-N 3.41Å
463L83.6Confident86.9Confident3 Ų350 Ų502%0.01625%0.251CS..PPolyproline II helixtrans-79.4153.9175.2-58.2172.9000110.5T413 V415 C440 V445 I460 Y469 F471 T497T413-L463 VanDerWaalsContact CA-O 3.31Å; T413-L463 WeakPolarHBondContact CA-O 3.3Å; T413-L463 WeakPolarHBondContact CB-O 3.41Å; T413-L463 PolarHBondContact O-N 3.35Å; V415-L463 HydrophobicContact CB-CD1 3.88Å; V415-L463 HydrophobicContact CG2-CD1 3.54Å; C440-L463 VanDerWaalsContact SG-CD2 3.56Å; V445-L463 HydrophobicContact CG1-CD2 4.19Å; V445-L463 HydrophobicContact CG2-CD2 3.93Å; I460-L463 HydrophobicContact CG2-CD1 4.13Å; I460-L463 HydrophobicContact CG2-CD2 3.99Å; I460-L463 HydrophobicContact CG2-CG 4.15Å; L463-Y469 HydrophobicContact CB-CE2 3.83Å; L463-Y469 HydrophobicContact CD1-CD2 4.5Å; L463-Y469 HydrophobicContact CD2-CD1 4.32Å; L463-Y469 HydrophobicContact CD2-CD2 4.21Å; L463-Y469 HydrophobicContact CD2-CE1 4.1Å; L463-Y469 HydrophobicContact CD2-CE2 3.98Å; L463-Y469 HydrophobicContact CD2-CG 4.36Å; L463-Y469 HydrophobicContact CG-CE2 4.35Å; L463-F471 HydrophobicContact CD1-CZ 4.09Å; L463-F471 HydrophobicContact CD2-CZ 4.4Å; L463-T497 HydrophobicContact CB-CG2 4.02Å; L463-T497 HydrophobicContact CD1-CG2 4.11Å
464N78.1Confident87Confident61 Ų6151.3 Ų51.333%0.32626%0.256SS..PPolyproline II helixtrans-78.4142.2174.6-70.2-17.1000110.4G412 T467 Y469 T497G412-N464 CarbonylContact O-C 3.54Å; N464-T467 HydrophobicContact CB-CG2 4.47Å; N464-T467 VanDerWaalsContact CB-OG1 3.29Å; N464-T467 WeakPolarHBondContact CB-OG1 3.37Å; N464-T467 WeakPolarHBondContact O-CB 3.42Å; N464-Y469 WeakPolarHBondContact CB-OH 3.49Å; N464-Y469 PolarHBondContact N-OH 3.31Å; N464-T497 WeakPolarHBondContact O-CB 3.43Å; N464-T497 PolarHBondContact O-OG1 3.21Å
465P78.8Confident87.1Confident33 Ų3346.1 Ų46.121%0.21423%0.229CC..THydrogen-bonded Turntrans-65.5153174.729.3-34.8000111.5G412 T467 T497 A500 Y690G412-P465 WeakPolarHBondContact O-CA 3.46Å; P465-T467 PolarHBondContact O-N 3.26Å; P465-T467 PolarHBondContact O-OG1 3.15Å; P465-T497 VanDerWaalsContact C-OG1 3.32Å; P465-A500 HydrophobicContact CB-CB 4.28Å; P465-Y690 HydrophobicContact CG-CD2 3.79Å; P465-Y690 HydrophobicContact CG-CE2 4.28Å; P465-Y690 HydrophobicContact CG-CG 3.98Å
466Q79.6Confident87Confident144 Ų14441.9 Ų41.967%0.67321%0.209SC*.THydrogen-bonded Turntrans50.129.8179-58.7-178.4-30.200114.4T497 G498 S499Q466-T497 WeakPolarHBondContact CA-O 3.15Å; Q466-T497 PolarHBondContact N-O 3.06Å; Q466-T497 PolarHBondContact N-OG1 3.34Å; Q466-G498 PolarHBondContact N-O 3Å; Q466-G498 VanDerWaalsContact N-O 3.15Å; Q466-S499 PolarHBondContact NE2-OG 3.16Å
467T80.6Confident86.4Confident47 Ų4740 Ų4029%0.28820%0.197SC..  trans-113.8141.4-175.7-56.90000110.2N464 P465 Y469 T496 T497N464-T467 HydrophobicContact CB-CG2 4.47Å; N464-T467 VanDerWaalsContact CB-OG1 3.29Å; N464-T467 WeakPolarHBondContact CB-OG1 3.37Å; N464-T467 WeakPolarHBondContact O-CB 3.42Å; P465-T467 PolarHBondContact O-N 3.26Å; P465-T467 PolarHBondContact O-OG1 3.15Å; T467-Y469 HydrophobicContact CG2-CD2 4.35Å; T467-Y469 HydrophobicContact CG2-CE1 4.28Å; T467-Y469 HydrophobicContact CG2-CE2 3.68Å; T467-T496 WeakPolarHBondContact O-CA 3.36Å; T467-T497 PolarHBondContact N-OG1 2.82Å; T467-T497 PolarHBondContact O-N 2.97Å; T467-T497 PolarHBondContact O-OG1 3.11Å
468R88.8Confident85.4Confident209 Ų20937.4 Ų37.479%0.78919%0.194SC*.EExtended strand (participates in β ladder)trans-90128.8177.7-69.1-172.5176.4176.62.7110.7V495 T496R468-V495 WeakPolarHBondContact CA-O 3.27Å; R468-T496 HydrophobicContact CG-CG2 3.89Å; R468-T496 WeakPolarHBondContact CG-OG1 3.32Å
469Y89.7Confident84.5Confident14 Ų1437.5 Ų37.56%0.05520%0.195CC..EExtended strand (participates in β ladder)trans-126.1148.1176.9-65.5-80000110.5G439 L463 N464 T467 F471 M494 V495 T497G439-Y469 WeakPolarHBondContact O-CE1 3.34Å; L463-Y469 HydrophobicContact CB-CE2 3.83Å; L463-Y469 HydrophobicContact CD1-CD2 4.5Å; L463-Y469 HydrophobicContact CD2-CD1 4.32Å; L463-Y469 HydrophobicContact CD2-CD2 4.21Å; L463-Y469 HydrophobicContact CD2-CE1 4.1Å; L463-Y469 HydrophobicContact CD2-CE2 3.98Å; L463-Y469 HydrophobicContact CD2-CG 4.36Å; L463-Y469 HydrophobicContact CG-CE2 4.35Å; N464-Y469 WeakPolarHBondContact CB-OH 3.49Å; N464-Y469 PolarHBondContact N-OH 3.31Å; T467-Y469 HydrophobicContact CG2-CD2 4.35Å; T467-Y469 HydrophobicContact CG2-CE1 4.28Å; T467-Y469 HydrophobicContact CG2-CE2 3.68Å; Y469-F471 HydrophobicContact CG-CZ 4.36Å; Y469-M494 WeakPolarHBondContact O-CA 3.43Å; Y469-V495 PolarHBondContact N-O 3.19Å; Y469-V495 PolarHBondContact O-N 2.9Å; Y469-T497 HydrophobicContact CD2-CG2 4.1Å; Y469-T497 HydrophobicContact CE2-CG2 4.06Å
470Q91.9Very high83.7Confident58 Ų5835.8 Ų35.827%0.27119%0.185SC..EExtended strand (participates in β ladder)trans-111.4130.9168.5172.2179.3-28.800109.2C437 Q438 D472 V493 M494C437-Q470 CarbonylContact C-O 3.55Å; C437-Q470 WeakPolarHBondContact CA-O 3.39Å; Q438-Q470 HydrophobicContact CB-CB 4.21Å; Q438-Q470 PolarHBondContact N-O 3.33Å; Q438-Q470 PolarHBondContact O-N 3.36Å; Q470-D472 PolarHBondContact NE2-OD1 3Å; Q470-V493 WeakPolarHBondContact CA-O 3.31Å; Q470-M494 HydrophobicContact CB-CG 4.22Å; Q470-M494 HydrophobicContact CG-CG 4.42Å
471F94Very high82.7Confident0 Ų040.1 Ų40.10%021%0.211CC..EExtended strand (participates in β ladder)trans-116.2125177.4-60.2-78.1000110.1V415 L417 Q436 C437 I460 L463 Y469 S492 V493 V495V415-F471 HydrophobicContact CG1-CE2 4.25Å; L417-F471 HydrophobicContact CD1-CB 3.53Å; L417-F471 HydrophobicContact CD1-CD1 4Å; L417-F471 HydrophobicContact CD1-CD2 4.09Å; L417-F471 HydrophobicContact CD1-CG 3.61Å; L417-F471 HydrophobicContact CD2-CD2 4.16Å; L417-F471 HydrophobicContact CD2-CG 4.49Å; Q436-F471 CarbonylContact O-C 3.58Å; Q436-F471 WeakPolarHBondContact O-CA 3.3Å; C437-F471 HydrophobicContact CB-CD1 3.61Å; C437-F471 HydrophobicContact CB-CE1 3.55Å; C437-F471 WeakPolarHBondContact SG-CE1 3.22Å; I460-F471 HydrophobicContact CD1-CD1 3.66Å; I460-F471 HydrophobicContact CD1-CE1 3.49Å; I460-F471 VanDerWaalsContact CD1-CE1 3.49Å; I460-F471 HydrophobicContact CD1-CG 4.45Å; I460-F471 HydrophobicContact CD1-CZ 4.16Å; I460-F471 HydrophobicContact CG2-CE1 4.2Å; L463-F471 HydrophobicContact CD1-CZ 4.09Å; L463-F471 HydrophobicContact CD2-CZ 4.4Å; Y469-F471 HydrophobicContact CG-CZ 4.36Å; F471-S492 CarbonylContact O-C 3.49Å; F471-S492 VanDerWaalsContact O-CA 3.29Å; F471-S492 WeakPolarHBondContact O-CA 3.29Å; F471-V493 HydrophobicContact CB-CG1 4.13Å; F471-V493 PolarHBondContact N-O 3.33Å; F471-V493 PolarHBondContact O-N 3.45Å; F471-V495 HydrophobicContact CD2-CB 4.43Å; F471-V495 HydrophobicContact CD2-CG2 4.06Å; F471-V495 HydrophobicContact CE2-CB 4.14Å; F471-V495 HydrophobicContact CE2-CG2 4.2Å
472D92.8Very high81.7Confident4 Ų444.4 Ų44.42%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-109.3129.3177.6-59.1-32.2000109.4V435 Q436 Q438 Q470 Y474 V490 A491 S492V435-D472 WeakPolarHBondContact CA-O 3.3Å; Q436-D472 PolarHBondContact N-O 3.24Å; Q436-D472 PolarHBondContact O-N 2.8Å; Q438-D472 PolarHBondContact NE2-OD2 3.47Å; Q470-D472 PolarHBondContact NE2-OD1 3Å; D472-Y474 HydrophobicContact CB-CE2 3.94Å; D472-V490 HydrophobicContact CB-CG2 3.82Å; D472-A491 CarbonylContact C-O 3.44Å; D472-A491 WeakPolarHBondContact CA-O 3.41Å; D472-S492 WeakPolarHBondContact OD1-CB 3.49Å; D472-S492 PolarHBondContact OD1-OG 3.23Å
473V93.1Very high81.1Confident0 Ų044.5 Ų44.50%022%0.221CC..EExtended strand (participates in β ladder)trans-118.2116.9178.6-174.30000109.2P402 L405 W419 Y433 H434 V435 V490 A491P402-V473 HydrophobicContact CG-CB 4.33Å; P402-V473 HydrophobicContact CG-CG1 3.93Å; P402-V473 WeakPolarHBondContact CG-O 3.19Å; L405-V473 HydrophobicContact CD1-CG2 3.71Å; L405-V473 HydrophobicContact CD2-CB 4.27Å; L405-V473 HydrophobicContact CD2-CG2 3.76Å; L405-V473 HydrophobicContact CG-CG2 4.39Å; W419-V473 HydrophobicContact CD2-CG1 4.04Å; W419-V473 HydrophobicContact CE3-CG1 4.38Å; W419-V473 HydrophobicContact CE3-CG2 4.15Å; W419-V473 HydrophobicContact CH2-CG1 4.33Å; W419-V473 HydrophobicContact CZ2-CG1 3.97Å; W419-V473 HydrophobicContact CZ3-CG2 4.21Å; Y433-V473 HydrophobicContact CD1-CG1 4.25Å; H434-V473 WeakPolarHBondContact O-CA 3.37Å; V435-V473 HydrophobicContact CG1-CG2 4.3Å; V435-V473 HydrophobicContact CG2-CG1 4.35Å; V435-V473 HydrophobicContact CG2-CG2 4.17Å; V473-V490 WeakPolarHBondContact O-CA 3.23Å; V473-A491 PolarHBondContact N-O 3.13Å; V473-A491 PolarHBondContact O-N 3.18Å
474Y90.5Very high80Confident32 Ų3247.9 Ų47.913%0.12526%0.257CS..EExtended strand (participates in β ladder)trans-99.3136.9177.8-58.7-91.4000110.4Y433 H434 Q436 D472 W487 V490Y433-Y474 CarbonylContact C-O 3.53Å; Y433-Y474 VanDerWaalsContact CA-O 3.23Å; Y433-Y474 WeakPolarHBondContact CA-O 3.32Å; H434-Y474 PolarHBondContact N-O 3.41Å; H434-Y474 PolarHBondContact O-N 3.25Å; Q436-Y474 HydrophobicContact CB-CE2 4.28Å; D472-Y474 HydrophobicContact CB-CE2 3.94Å; Y474-W487 HydrophobicContact CD1-CB 4.22Å; Y474-W487 HydrophobicContact CD1-CE3 4.06Å; Y474-W487 HydrophobicContact CD2-CE3 4.22Å; Y474-W487 HydrophobicContact CD2-CZ3 4.48Å; Y474-W487 HydrophobicContact CE1-CB 4.07Å; Y474-W487 HydrophobicContact CE1-CE3 4.46Å; Y474-W487 WeakPolarHBondContact CE1-O 3.33Å; Y474-W487 AromaticContact CG-CE3 3.93Å; Y474-W487 HydrophobicContact CG-CE3 3.93Å; Y474-W487 HydrophobicContact CG-CZ3 4.44Å; Y474-V490 HydrophobicContact CD1-CB 3.68Å; Y474-V490 HydrophobicContact CD1-CG2 3.86Å; Y474-V490 HydrophobicContact CD2-CG2 4.45Å; Y474-V490 HydrophobicContact CE1-CB 3.56Å; Y474-V490 HydrophobicContact CE1-CG1 4.4Å; Y474-V490 HydrophobicContact CE1-CG2 3.56Å; Y474-V490 HydrophobicContact CE2-CG2 4.18Å; Y474-V490 HydrophobicContact CG-CB 4.45Å; Y474-V490 HydrophobicContact CG-CG2 4.29Å
475A86.4Confident79.1Confident2 Ų248.1 Ų48.12%0.01726%0.261CS..EExtended strand (participates in β ladder)trans-100.6131.1170.100000110.8P399 S400 P402 P422 T431 Y433 N489P399-A475 HydrophobicContact CB-CB 4.31Å; P399-A475 HydrophobicContact CG-CB 4.01Å; P399-A475 WeakPolarHBondContact CG-O 3.4Å; S400-A475 WeakPolarHBondContact O-CB 3.21Å; P402-A475 HydrophobicContact CG-CB 4.03Å; P422-A475 HydrophobicContact CG-CB 3.69Å; T431-A475 HydrophobicContact CG2-CB 3.9Å; Y433-A475 HydrophobicContact CD1-CB 4.15Å; Y433-A475 HydrophobicContact CE1-CB 4.05Å; A475-N489 PolarHBondContact N-O 3.08Å
476H83.3Confident78Confident24 Ų2449.3 Ų49.311%0.11126%0.264CS..EExtended strand (participates in β ladder)trans-141.5157.3175.465.2-75000112.1L432 M486L432-H476 VanDerWaalsContact CB-CE1 3.45Å; L432-H476 WeakPolarHBondContact CB-CE1 3.36Å; L432-H476 WeakPolarHBondContact CB-NE2 3.24Å; L432-H476 PolarHBondContact N-O 3.37Å; L432-H476 PolarHBondContact O-N 3.04Å; L432-H476 PolarHBondContact O-ND1 3.39Å; L432-H476 VanDerWaalsContact O-ND1 3.1Å; H476-M486 HydrophobicContact CB-CG 4.46Å
477N78.5Confident77.2Confident6 Ų648.7 Ų48.73%0.03226%0.256CS..  trans-135.6178.7174.769.26.6000110.2G397 S425 V479 S480G397-N477 PolarHBondContact O-ND2 3.23Å; S425-N477 PolarHBondContact O-ND2 3.14Å; N477-V479 PolarHBondContact O-N 2.83Å; N477-V479 VanDerWaalsContact O-N 3.09Å; N477-V479 PolarHBondContact OD1-N 3.04Å; N477-S480 PolarHBondContact N-OG 2.94Å; N477-S480 VanDerWaalsContact O-CB 3.25Å; N477-S480 WeakPolarHBondContact O-CB 3.4Å; N477-S480 PolarHBondContact O-N 3Å; N477-S480 PolarHBondContact O-OG 3.19Å; N477-S480 PolarHBondContact OD1-N 3.49Å; N477-S480 PolarHBondContact OD1-OG 3.5Å
478A69.9Low76.5Confident47 Ų4751.7 Ų51.739%0.38827%0.269SS..THydrogen-bonded Turntrans-54.1-33.3-177.900000114.1I385 T481I385-A478 HydrophobicContact CD1-CB 4.5Å; I385-A478 HydrophobicContact CG1-CB 4.36Å; I385-A478 HydrophobicContact CG2-CB 4.27Å; A478-T481 PolarHBondContact O-OG1 3.04Å; A478-T481 VanDerWaalsContact O-OG1 3.08Å
479V73.1Confident76.1Confident2 Ų244 Ų441%0.01224%0.243CC..THydrogen-bonded Turntrans-80.7-19.6-179.8172.60000113.1F383 I385 L396 N477 T481 K482F383-V479 HydrophobicContact CB-CG1 3.72Å; F383-V479 HydrophobicContact CD2-CG1 3.59Å; F383-V479 HydrophobicContact CG-CG1 4.05Å; I385-V479 HydrophobicContact CG1-CG2 3.83Å; L396-V479 HydrophobicContact CB-CG2 3.93Å; L396-V479 HydrophobicContact CD1-CG2 4.46Å; N477-V479 PolarHBondContact O-N 2.83Å; N477-V479 VanDerWaalsContact O-N 3.09Å; N477-V479 PolarHBondContact OD1-N 3.04Å; V479-T481 PolarHBondContact O-N 2.97Å; V479-T481 VanDerWaalsContact O-N 3.08Å; V479-K482 WeakPolarHBondContact O-CB 3.32Å; V479-K482 PolarHBondContact O-N 3Å
480S73.2Confident76Confident4 Ų445.8 Ų45.83%0.02826%0.256CS..G310 helixtrans-58.7-29.2-177.8-58.90000112.2P399 N477 K482 T483P399-S480 WeakPolarHBondContact CD-OG 3.44Å; N477-S480 PolarHBondContact N-OG 2.94Å; N477-S480 VanDerWaalsContact O-CB 3.25Å; N477-S480 WeakPolarHBondContact O-CB 3.4Å; N477-S480 PolarHBondContact O-N 3Å; N477-S480 PolarHBondContact O-OG 3.19Å; N477-S480 PolarHBondContact OD1-N 3.49Å; N477-S480 PolarHBondContact OD1-OG 3.5Å; S480-K482 VanDerWaalsContact C-N 3.33Å; S480-K482 PolarHBondContact O-N 3.34Å; S480-T483 PolarHBondContact O-N 3.01Å; S480-T483 PolarHBondContact O-OG1 3.49Å
481T67.7Low75.8Confident91 Ų9143.8 Ų43.856%0.55825%0.249SC*.G310 helixtrans-65.5-29.2174.461.90000114A478 V479 M486A478-T481 PolarHBondContact O-OG1 3.04Å; A478-T481 VanDerWaalsContact O-OG1 3.08Å; V479-T481 PolarHBondContact O-N 2.97Å; V479-T481 VanDerWaalsContact O-N 3.08Å; T481-M486 HydrophobicContact CG2-SD 4.06Å
482K65.2Low75.7Confident119 Ų11947 Ų4752%0.51727%0.272SS..G310 helixtrans-77.9-23.5-179.3-64.5-66.7-177.3-178.50113.4F383 V479 S480 G484F383-K482 HydrophobicContact CG-CB 4.33Å; V479-K482 WeakPolarHBondContact O-CB 3.32Å; V479-K482 PolarHBondContact O-N 3Å; S480-K482 VanDerWaalsContact C-N 3.33Å; S480-K482 PolarHBondContact O-N 3.34Å; K482-G484 VanDerWaalsContact C-N 3.26Å; K482-G484 PolarHBondContact O-N 3.13Å
483T64.9Low75.6Confident34 Ų3448.1 Ų48.121%0.20928%0.279CS..G310 helixtrans-73.3-18.5-17864.90000113.1F383 P398 S480 T485F383-T483 HydrophobicContact CD2-CG2 4.33Å; F383-T483 HydrophobicContact CE2-CG2 3.81Å; P398-T483 HydrophobicContact CB-CG2 4.37Å; P398-T483 HydrophobicContact CG-CG2 4.16Å; S480-T483 PolarHBondContact O-N 3.01Å; S480-T483 PolarHBondContact O-OG1 3.49Å; T483-T485 VanDerWaalsContact CB-OG1 3.27Å; T483-T485 WeakPolarHBondContact CB-OG1 3.46Å; T483-T485 PolarHBondContact O-N 3.06Å; T483-T485 PolarHBondContact OG1-N 2.81Å; T483-T485 VanDerWaalsContact OG1-N 3.13Å; T483-T485 PolarHBondContact OG1-OG1 3.3Å
484G60.1Low75.5Confident74 Ų7455.7 Ų55.776%0.76332%0.316SS*.SBendtrans69.5-2.4-167.500000113.6K482K482-G484 VanDerWaalsContact C-N 3.26Å; K482-G484 PolarHBondContact O-N 3.13Å
485T59.7Low75.4Confident66 Ų6654.4 Ų54.441%0.40531%0.312SS..  trans-121.248.9-170.759.40000112.2T483 W487 I488T483-T485 VanDerWaalsContact CB-OG1 3.27Å; T483-T485 WeakPolarHBondContact CB-OG1 3.46Å; T483-T485 PolarHBondContact O-N 3.06Å; T483-T485 PolarHBondContact OG1-N 2.81Å; T483-T485 VanDerWaalsContact OG1-N 3.13Å; T483-T485 PolarHBondContact OG1-OG1 3.3Å; T485-W487 PolarHBondContact O-N 2.78Å; T485-W487 VanDerWaalsContact O-N 3.07Å; T485-I488 HydrophobicContact CG2-CD1 3.59Å; T485-I488 HydrophobicContact CG2-CG1 4.44Å
486M55.2Low75.5Confident58 Ų5857.8 Ų57.829%0.28633%0.332SS..THydrogen-bonded Turntrans-60.5-22.4-171.8-152.9168.598.900114H476 T481H476-M486 HydrophobicContact CB-CG 4.46Å; T481-M486 HydrophobicContact CG2-SD 4.06Å
487W61.7Low75.5Confident131 Ų13156.9 Ų56.950%0.49633%0.328SS..THydrogen-bonded Turntrans-111.719-169.2-48.5110.7000115.1H434 Y474 T485H434-W487 HydrophobicContact CB-CZ3 4.19Å; H434-W487 AromaticContact CG-CZ3 3.97Å; H434-W487 AromaticContact ND1-CH2 3.71Å; H434-W487 AromaticContact ND1-CZ3 3.25Å; H434-W487 WeakPolarHBondContact ND1-CZ3 3.35Å; Y474-W487 HydrophobicContact CD1-CB 4.22Å; Y474-W487 HydrophobicContact CD1-CE3 4.06Å; Y474-W487 HydrophobicContact CD2-CE3 4.22Å; Y474-W487 HydrophobicContact CD2-CZ3 4.48Å; Y474-W487 HydrophobicContact CE1-CB 4.07Å; Y474-W487 HydrophobicContact CE1-CE3 4.46Å; Y474-W487 WeakPolarHBondContact CE1-O 3.33Å; Y474-W487 AromaticContact CG-CE3 3.93Å; Y474-W487 HydrophobicContact CG-CE3 3.93Å; Y474-W487 HydrophobicContact CG-CZ3 4.44Å; T485-W487 PolarHBondContact O-N 2.78Å; T485-W487 VanDerWaalsContact O-N 3.07Å
488I67.8Low75.4Confident111 Ų11158 Ų5857%0.56934%0.341SS*.  trans-81.1-36.1-177.3-65.3-173.6000112.8T485 V490T485-I488 HydrophobicContact CG2-CD1 3.59Å; T485-I488 HydrophobicContact CG2-CG1 4.44Å; I488-V490 PolarHBondContact O-N 3.29Å; I488-V490 VanDerWaalsContact O-N 3.17Å
489N78.9Confident75.5Confident46 Ų4660 Ų6025%0.24635%0.352CS..SBendtrans-92.280.1-169.3-71.3-58.4000111.3P399 A401 A475P399-N489 PolarHBondContact O-ND2 2.99Å; A401-N489 HydrophobicContact CB-CB 4.37Å; A475-N489 PolarHBondContact N-O 3.08Å
490V87.5Confident75.1Confident52 Ų5260.7 Ų60.732%0.31536%0.358SS..EExtended strand (participates in β ladder)trans-113.9144.6-173.566.30000112.9D472 V473 Y474 I488D472-V490 HydrophobicContact CB-CG2 3.82Å; V473-V490 WeakPolarHBondContact O-CA 3.23Å; Y474-V490 HydrophobicContact CD1-CB 3.68Å; Y474-V490 HydrophobicContact CD1-CG2 3.86Å; Y474-V490 HydrophobicContact CD2-CG2 4.45Å; Y474-V490 HydrophobicContact CE1-CB 3.56Å; Y474-V490 HydrophobicContact CE1-CG1 4.4Å; Y474-V490 HydrophobicContact CE1-CG2 3.56Å; Y474-V490 HydrophobicContact CE2-CG2 4.18Å; Y474-V490 HydrophobicContact CG-CB 4.45Å; Y474-V490 HydrophobicContact CG-CG2 4.29Å; I488-V490 PolarHBondContact O-N 3.29Å; I488-V490 VanDerWaalsContact O-N 3.17Å
491A88.3Confident74.8Confident16 Ų1663 Ų6313%0.13237%0.373CS..EExtended strand (participates in β ladder)trans-120.3137164.900000109.3P402 L405 D472 V473P402-A491 HydrophobicContact CB-CB 4.18Å; P402-A491 HydrophobicContact CG-CB 4.38Å; L405-A491 HydrophobicContact CB-CB 4.15Å; L405-A491 HydrophobicContact CD2-CB 4.12Å; L405-A491 VanDerWaalsContact CD2-O 3.23Å; L405-A491 WeakPolarHBondContact CD2-O 3.26Å; D472-A491 CarbonylContact C-O 3.44Å; D472-A491 WeakPolarHBondContact CA-O 3.41Å; V473-A491 PolarHBondContact N-O 3.13Å; V473-A491 PolarHBondContact O-N 3.18Å
492S91.3Very high74.6Confident68 Ų6860.9 Ų60.948%0.47636%0.36SS..EExtended strand (participates in β ladder)trans-126.1141.8-174.1-58.90000111.7F471 D472F471-S492 CarbonylContact O-C 3.49Å; F471-S492 VanDerWaalsContact O-CA 3.29Å; F471-S492 WeakPolarHBondContact O-CA 3.29Å; D472-S492 WeakPolarHBondContact OD1-CB 3.49Å; D472-S492 PolarHBondContact OD1-OG 3.23Å
493V92.2Very high74.8Confident28 Ų2855.9 Ų55.917%0.1734%0.338CS..EExtended strand (participates in β ladder)trans-136.4138.4174.568.90000110.7L405 L417 Q470 F471 V495L405-V493 HydrophobicContact CD1-CG1 4.43Å; L405-V493 HydrophobicContact CD2-CB 4.03Å; L405-V493 HydrophobicContact CD2-CG1 3.81Å; L405-V493 HydrophobicContact CG-CB 4.04Å; L405-V493 HydrophobicContact CG-CG1 3.79Å; L417-V493 HydrophobicContact CD2-CG1 3.91Å; Q470-V493 WeakPolarHBondContact CA-O 3.31Å; F471-V493 HydrophobicContact CB-CG1 4.13Å; F471-V493 PolarHBondContact N-O 3.33Å; F471-V493 PolarHBondContact O-N 3.45Å; V493-V495 HydrophobicContact CG1-CG2 4.21Å; V493-V495 HydrophobicContact CG2-CG2 4.27Å
494M91.1Very high75Confident158 Ų15857.9 Ų57.978%0.77835%0.347SS*.EExtended strand (participates in β ladder)trans-100.3132.5172.8-70.3-172.8-76.300110.1Y469 Q470Y469-M494 WeakPolarHBondContact O-CA 3.43Å; Q470-M494 HydrophobicContact CB-CG 4.22Å; Q470-M494 HydrophobicContact CG-CG 4.42Å
495V88.3Confident75.7Confident6 Ų655 Ų554%0.03631%0.314CS..EExtended strand (participates in β ladder)trans-133.4133.4-175.2-175.50000109.6A407 I410 V415 R468 Y469 F471 V493A407-V495 HydrophobicContact CB-CG1 4.24Å; A407-V495 HydrophobicContact CB-CG2 3.67Å; I410-V495 HydrophobicContact CD1-CG1 3.66Å; I410-V495 HydrophobicContact CG1-CG1 3.83Å; I410-V495 HydrophobicContact CG2-CG1 4.19Å; V415-V495 HydrophobicContact CG1-CG1 4.2Å; V415-V495 HydrophobicContact CG1-CG2 4.47Å; V415-V495 HydrophobicContact CG2-CG1 3.84Å; R468-V495 WeakPolarHBondContact CA-O 3.27Å; Y469-V495 PolarHBondContact N-O 3.19Å; Y469-V495 PolarHBondContact O-N 2.9Å; F471-V495 HydrophobicContact CD2-CB 4.43Å; F471-V495 HydrophobicContact CD2-CG2 4.06Å; F471-V495 HydrophobicContact CE2-CB 4.14Å; F471-V495 HydrophobicContact CE2-CG2 4.2Å; V493-V495 HydrophobicContact CG1-CG2 4.21Å; V493-V495 HydrophobicContact CG2-CG2 4.27Å
496T87.4Confident76.4Confident72 Ų7253.4 Ų53.444%0.44231%0.306SS..EExtended strand (participates in β ladder)trans-104.4123.8170.1-46.50000108.5I410 T467 R468I410-T496 WeakPolarHBondContact CG2-O 3.38Å; T467-T496 WeakPolarHBondContact O-CA 3.36Å; R468-T496 HydrophobicContact CG-CG2 3.89Å; R468-T496 WeakPolarHBondContact CG-OG1 3.32Å
497T83.9Confident77.6Confident6 Ų654.7 Ų54.74%0.03731%0.314CS..  trans-69.3151.8179.5520000112G412 V415 L463 N464 P465 Q466 T467 Y469G412-T497 WeakPolarHBondContact O-CB 3.44Å; V415-T497 HydrophobicContact CG2-CG2 4.19Å; L463-T497 HydrophobicContact CB-CG2 4.02Å; L463-T497 HydrophobicContact CD1-CG2 4.11Å; N464-T497 WeakPolarHBondContact O-CB 3.43Å; N464-T497 PolarHBondContact O-OG1 3.21Å; P465-T497 VanDerWaalsContact C-OG1 3.32Å; Q466-T497 WeakPolarHBondContact CA-O 3.15Å; Q466-T497 PolarHBondContact N-O 3.06Å; Q466-T497 PolarHBondContact N-OG1 3.34Å; T467-T497 PolarHBondContact N-OG1 2.82Å; T467-T497 PolarHBondContact O-N 2.97Å; T467-T497 PolarHBondContact O-OG1 3.11Å; Y469-T497 HydrophobicContact CD2-CG2 4.1Å; Y469-T497 HydrophobicContact CE2-CG2 4.06Å
498G76.2Confident78.5Confident29 Ų2950.3 Ų50.330%0.29930%0.299SS..  trans-71.9-175.2178.400000113.5N411 G412 Q466N411-G498 PolarHBondContact O-N 3.43Å; G412-G498 WeakPolarHBondContact CA-O 3.43Å; Q466-G498 PolarHBondContact N-O 3Å; Q466-G498 VanDerWaalsContact N-O 3.15Å
499S70.7Confident79.3Confident89 Ų8950.2 Ų50.262%0.62230%0.296SS*.  trans-82.9137.7167.2-53.30000109.1Q466Q466-S499 PolarHBondContact NE2-OG 3.16Å
500A66Low79.5Confident17 Ų1750.5 Ų50.514%0.1430%0.3CS..  trans-104.9142.5178.200000110.7T413 P465 T502T413-A500 HydrophobicContact CG2-CB 4.21Å; P465-A500 HydrophobicContact CB-CB 4.28Å; A500-T502 PolarHBondContact O-N 3.05Å
501P65.8Low79.4Confident51 Ų5152.6 Ų52.633%0.33131%0.309SS..  trans-57.9132.1167.622.5-29.7000109.4Y503 N688 A689 Y690P501-Y503 HydrophobicContact CB-CE2 3.91Å; P501-Y503 HydrophobicContact CG-CE2 4.08Å; P501-N688 WeakPolarHBondContact CD-O 3.43Å; P501-A689 HydrophobicContact CG-CB 4.25Å; P501-Y690 PolarHBondContact O-N 2.74Å; P501-Y690 VanDerWaalsContact O-N 3.12Å
502T63.4Low79Confident47 Ų4754.9 Ų54.929%0.28832%0.315SS..EExtended strand (participates in β ladder)trans-98131.6179.8520000109.7A500 I527 Y690A500-T502 PolarHBondContact O-N 3.05Å; T502-I527 PolarHBondContact O-N 2.87Å; T502-Y690 WeakPolarHBondContact CA-O 3.4Å; T502-Y690 HydrophobicContact CG2-CD1 4.38Å
503Y69.8Low78.6Confident14 Ų1456.8 Ų56.86%0.05532%0.319CS..EExtended strand (participates in β ladder)trans-114.7133.1178.1-65-88.8000109.4P501 V524 Y525 Q526 I558 F566 A689 P692P501-Y503 HydrophobicContact CB-CE2 3.91Å; P501-Y503 HydrophobicContact CG-CE2 4.08Å; Y503-V524 HydrophobicContact CD1-CG1 4.18Å; Y503-Y525 CarbonylContact C-O 3.48Å; Y503-Y525 VanDerWaalsContact CA-O 3.31Å; Y503-Y525 WeakPolarHBondContact CA-O 3.37Å; Y503-Q526 HydrophobicContact CD1-CB 3.85Å; Y503-Q526 HydrophobicContact CD1-CG 4.07Å; Y503-Q526 HydrophobicContact CE1-CB 3.59Å; Y503-Q526 HydrophobicContact CE1-CG 3.55Å; Y503-I558 HydrophobicContact CD1-CD1 3.58Å; Y503-I558 HydrophobicContact CE1-CD1 3.42Å; Y503-I558 VanDerWaalsContact CE1-CD1 3.42Å; Y503-F566 AromaticContact CD1-CZ 3.78Å; Y503-F566 HydrophobicContact CD1-CZ 3.78Å; Y503-F566 HydrophobicContact CD2-CE1 4.26Å; Y503-F566 HydrophobicContact CD2-CZ 4.14Å; Y503-F566 HydrophobicContact CE1-CE2 4.46Å; Y503-F566 AromaticContact CE1-CZ 3.74Å; Y503-F566 HydrophobicContact CE1-CZ 3.74Å; Y503-F566 HydrophobicContact CE2-CE1 4.5Å; Y503-F566 HydrophobicContact CE2-CZ 4.12Å; Y503-F566 HydrophobicContact CG-CE1 4.25Å; Y503-F566 AromaticContact CG-CZ 3.97Å; Y503-F566 HydrophobicContact CG-CZ 3.97Å; Y503-F566 AromaticContact CZ-CZ 3.9Å; Y503-A689 HydrophobicContact CD2-CB 3.46Å; Y503-A689 VanDerWaalsContact CD2-CB 3.46Å; Y503-A689 HydrophobicContact CE2-CB 3.23Å; Y503-P692 WeakPolarHBondContact O-CD 3.32Å
504L69.5Low78Confident76 Ų7659.2 Ų59.240%0.39833%0.331SS..EExtended strand (participates in β ladder)trans-104.3130.1176.6-170.576.1000108.9Y525 I527L504-Y525 PolarHBondContact N-O 3.11Å; L504-Y525 PolarHBondContact O-N 3.19Å; L504-I527 HydrophobicContact CB-CD1 4.26Å
505I73.9Confident77.2Confident15 Ų1555.8 Ų55.88%0.07732%0.315CS..EExtended strand (participates in β ladder)trans-92.5116.8168.4-60.1169.5000107I508 W522 I682 A684I505-I508 HydrophobicContact CG2-CD1 4.03Å; I505-I508 HydrophobicContact CG2-CG1 4.2Å; I505-W522 HydrophobicContact CG2-CB 4.01Å; I505-W522 HydrophobicContact CG2-CG 4.01Å; I505-I682 HydrophobicContact CD1-CB 4.15Å; I505-I682 HydrophobicContact CD1-CG2 4Å; I505-I682 WeakPolarHBondContact CD1-O 3.37Å; I505-A684 HydrophobicContact CD1-CB 4.03Å; I505-A684 HydrophobicContact CG1-CB 4.43Å
506S76.3Confident76.6Confident32 Ų3255.9 Ų55.922%0.22432%0.316CS..EExtended strand (participates in β ladder)trans-139.4-177.9177.6620000111.1I508 E523 Y525S506-I508 VanDerWaalsContact C-N 3.31Å; S506-I508 PolarHBondContact O-N 3.26Å; S506-E523 PolarHBondContact N-O 3.36Å; S506-E523 VanDerWaalsContact N-O 3.07Å; S506-E523 PolarHBondContact O-N 3.01Å; S506-E523 VanDerWaalsContact O-O 3.12Å; S506-Y525 WeakPolarHBondContact OG-CD2 3.48Å; S506-Y525 WeakPolarHBondContact OG-CE2 3.38Å
507D79.6Confident76.2Confident85 Ų8552.9 Ų52.946%0.45530%0.297SS..EExtended strand (participates in β ladder)trans52.645.1-177-56.4-34000113.8Q509 E523 Y525D507-Q509 PolarHBondContact O-N 2.83Å; D507-E523 HydrophobicContact CB-CB 4.29Å; D507-E523 HydrophobicContact CB-CG 4.22Å; D507-Y525 WeakPolarHBondContact OD2-CE2 3.23Å; D507-Y525 PolarHBondContact OD2-OH 3.49Å
508I81.5Confident76.2Confident38 Ų3852.6 Ų52.620%0.19530%0.296CS..EExtended strand (participates in β ladder)trans-74.7110179.4-52.4171.8000109I505 S506 T510 I520 K521 W522 I682 I697I505-I508 HydrophobicContact CG2-CD1 4.03Å; I505-I508 HydrophobicContact CG2-CG1 4.2Å; S506-I508 VanDerWaalsContact C-N 3.31Å; S506-I508 PolarHBondContact O-N 3.26Å; I508-T510 HydrophobicContact CG2-CG2 4.44Å; I508-I520 HydrophobicContact CG2-CG2 3.91Å; I508-K521 CarbonylContact C-O 3.6Å; I508-K521 WeakPolarHBondContact CA-O 3.13Å; I508-W522 HydrophobicContact CB-CB 4.4Å; I508-W522 HydrophobicContact CG1-CB 3.81Å; I508-W522 HydrophobicContact CG2-CB 4.46Å; I508-I682 HydrophobicContact CD1-CD1 4.06Å; I508-I682 HydrophobicContact CD1-CG1 4.42Å; I508-I682 HydrophobicContact CG1-CD1 4.46Å; I508-I682 HydrophobicContact CG2-CD1 4.19Å; I508-I697 HydrophobicContact CB-CD1 3.5Å; I508-I697 HydrophobicContact CD1-CD1 3.33Å; I508-I697 HydrophobicContact CD1-CG1 4.47Å; I508-I697 HydrophobicContact CG1-CD1 3.95Å; I508-I697 HydrophobicContact CG2-CD1 3.34Å
509Q83Confident76.6Confident109 Ų10953.3 Ų53.351%0.50929%0.291SS..EExtended strand (participates in β ladder)trans-98.9131177.1-62.4-178.4-9.400110.2D507 I520 K521D507-Q509 PolarHBondContact O-N 2.83Å; Q509-I520 CarbonylContact O-C 3.58Å; Q509-I520 WeakPolarHBondContact O-CA 3.48Å; Q509-K521 PolarHBondContact N-O 2.79Å; Q509-K521 PolarHBondContact O-N 2.78Å
510T83.2Confident77.4Confident52 Ų5249.2 Ų49.232%0.31926%0.262SS..EExtended strand (participates in β ladder)trans-124.5111.7-18060.30000109.9I508 H519 I520 L699I508-T510 HydrophobicContact CG2-CG2 4.44Å; T510-H519 CarbonylContact C-O 3.55Å; T510-H519 WeakPolarHBondContact CA-O 3.38Å; T510-I520 HydrophobicContact CG2-CG1 4.37Å; T510-I520 HydrophobicContact CG2-CG2 4.26Å; T510-L699 HydrophobicContact CG2-CD2 3.69Å
511N85.2Confident78.4Confident96 Ų9652.2 Ų52.251%0.51327%0.272SS..EExtended strand (participates in β ladder)trans-117.4113.6-179.8-70.7-11.5000109.8L513 H519N511-L513 PolarHBondContact O-N 3.44Å; N511-H519 PolarHBondContact N-O 2.97Å; N511-H519 WeakPolarHBondContact O-CB 3.3Å; N511-H519 PolarHBondContact O-N 2.86Å
512W80.7Confident79.4Confident65 Ų6549.9 Ų49.925%0.24626%0.257CS..EExtended strand (participates in β ladder)trans-73.1122.4173.7-71.692.7000110.5T517 V518 L672 L699 L700 P702W512-T517 VanDerWaalsContact CE3-O 3.32Å; W512-V518 HydrophobicContact CD2-CB 3.8Å; W512-V518 HydrophobicContact CD2-CG2 3.98Å; W512-V518 HydrophobicContact CE3-CB 3.78Å; W512-V518 HydrophobicContact CE3-CG2 4.47Å; W512-V518 HydrophobicContact CG-CB 4.45Å; W512-V518 HydrophobicContact CG-CG2 4.25Å; W512-V518 HydrophobicContact CH2-CB 4.17Å; W512-V518 HydrophobicContact CZ2-CB 4.2Å; W512-V518 HydrophobicContact CZ2-CG2 4.4Å; W512-V518 HydrophobicContact CZ3-CB 3.97Å; W512-L672 HydrophobicContact CH2-CB 4.2Å; W512-L672 HydrophobicContact CH2-CD1 4.1Å; W512-L672 HydrophobicContact CZ3-CB 4.39Å; W512-L699 HydrophobicContact CZ2-CB 4.22Å; W512-L700 WeakPolarHBondContact CZ2-O 3.27Å; W512-L700 PolarHBondContact NE1-O 3.11Å; W512-P702 HydrophobicContact CB-CG 3.63Å; W512-P702 HydrophobicContact CD2-CG 3.75Å; W512-P702 VanDerWaalsContact CE3-CD 3.49Å; W512-P702 HydrophobicContact CE3-CG 4.07Å; W512-P702 HydrophobicContact CG-CG 3.54Å
513L83.9Confident80.2Confident107 Ų10750 Ų5056%0.5625%0.254SS*.SBendtrans-86.9-28.1177.3-63.1172.9000111.2N511 T517 H519 I668N511-L513 PolarHBondContact O-N 3.44Å; L513-T517 PolarHBondContact N-O 3.47Å; L513-H519 HydrophobicContact CD1-CB 4.17Å; L513-H519 HydrophobicContact CG-CB 4.21Å; L513-I668 HydrophobicContact CD1-CD1 4.2Å; L513-I668 HydrophobicContact CD1-CG2 4.17Å
514N78.5Confident80.5Confident79 Ų7949.9 Ų49.942%0.42226%0.255SS..SBendtrans-155.5-169.7170.269.138.4000110.8S516 T517N514-S516 PolarHBondContact O-N 3.16Å; N514-S516 PolarHBondContact OD1-N 3.45Å; N514-S516 PolarHBondContact OD1-OG 2.51Å; N514-T517 PolarHBondContact N-O 3.21Å; N514-T517 PolarHBondContact N-OG1 3.04Å; N514-T517 VanDerWaalsContact ND2-CG2 3.33Å; N514-T517 WeakPolarHBondContact ND2-CG2 3.48Å; N514-T517 PolarHBondContact ND2-OG1 3.4Å; N514-T517 WeakPolarHBondContact OD1-CB 3.44Å; N514-T517 WeakPolarHBondContact OD1-CG2 3.3Å; N514-T517 PolarHBondContact OD1-N 3Å; N514-T517 PolarHBondContact OD1-OG1 3.35Å
515I74.1Confident80.7Confident86 Ų8648 Ų4844%0.44124%0.242SC..SBendtrans-64.7-16.8-178.157167.8000115.4S701 K703I515-S701 PolarHBondContact O-OG 2.76Å; I515-K703 HydrophobicContact CB-CB 4.46Å; I515-K703 HydrophobicContact CD1-CD 4.43Å
516S75.2Confident80.4Confident9 Ų949.8 Ų49.86%0.06325%0.25CS..SBendtrans-132.83-177.3650000114.1N514 Y670 N671 L672 Y673N514-S516 PolarHBondContact O-N 3.16Å; N514-S516 PolarHBondContact OD1-N 3.45Å; N514-S516 PolarHBondContact OD1-OG 2.51Å; S516-Y670 CarbonylContact O-C 3.51Å; S516-N671 PolarHBondContact O-N 2.9Å; S516-L672 PolarHBondContact O-N 3.33Å; S516-Y673 VanDerWaalsContact CB-CZ 3.45Å; S516-Y673 PolarHBondContact OG-OH 2.91Å
517T79.6Confident79.6Confident8 Ų850.3 Ų50.35%0.04925%0.25CS..  trans-125.1127.1-179.669.80000111.4W512 L513 N514 L669 Y670W512-T517 VanDerWaalsContact CE3-O 3.32Å; L513-T517 PolarHBondContact N-O 3.47Å; N514-T517 PolarHBondContact N-O 3.21Å; N514-T517 PolarHBondContact N-OG1 3.04Å; N514-T517 VanDerWaalsContact ND2-CG2 3.33Å; N514-T517 WeakPolarHBondContact ND2-CG2 3.48Å; N514-T517 PolarHBondContact ND2-OG1 3.4Å; N514-T517 WeakPolarHBondContact OD1-CB 3.44Å; N514-T517 WeakPolarHBondContact OD1-CG2 3.3Å; N514-T517 PolarHBondContact OD1-N 3Å; N514-T517 PolarHBondContact OD1-OG1 3.35Å; T517-L669 VanDerWaalsContact CA-O 3.25Å; T517-L669 WeakPolarHBondContact CA-O 3.48Å; T517-Y670 HydrophobicContact CG2-CD1 3.46Å; T517-Y670 VanDerWaalsContact CG2-CD1 3.46Å; T517-Y670 HydrophobicContact CG2-CE1 4.2Å; T517-Y670 HydrophobicContact CG2-CG 4.2Å
518V83.9Confident78.4Confident0 Ų049.7 Ų49.70%025%0.246CC..EExtended strand (participates in β ladder)trans-122.4133.1-18065.40000109.6W512 I520 I668 L669 L672 L699W512-V518 HydrophobicContact CD2-CB 3.8Å; W512-V518 HydrophobicContact CD2-CG2 3.98Å; W512-V518 HydrophobicContact CE3-CB 3.78Å; W512-V518 HydrophobicContact CE3-CG2 4.47Å; W512-V518 HydrophobicContact CG-CB 4.45Å; W512-V518 HydrophobicContact CG-CG2 4.25Å; W512-V518 HydrophobicContact CH2-CB 4.17Å; W512-V518 HydrophobicContact CZ2-CB 4.2Å; W512-V518 HydrophobicContact CZ2-CG2 4.4Å; W512-V518 HydrophobicContact CZ3-CB 3.97Å; V518-I520 HydrophobicContact CG1-CD1 4.13Å; V518-I520 HydrophobicContact CG1-CG1 4.09Å; V518-I520 HydrophobicContact CG2-CG1 4.03Å; V518-I668 WeakPolarHBondContact O-CA 3.18Å; V518-L669 HydrophobicContact CG1-CB 3.89Å; V518-L669 HydrophobicContact CG1-CD1 4.32Å; V518-L669 HydrophobicContact CG1-CG 4.5Å; V518-L669 PolarHBondContact N-O 3.42Å; V518-L669 PolarHBondContact O-N 2.95Å; V518-L672 HydrophobicContact CB-CD1 4.49Å; V518-L672 HydrophobicContact CG1-CD1 3.43Å; V518-L672 VanDerWaalsContact CG1-CD1 3.43Å; V518-L699 HydrophobicContact CG1-CD1 3.89Å; V518-L699 HydrophobicContact CG2-CD1 4.16Å; V518-L699 HydrophobicContact CG2-CD2 4.33Å
519H85.9Confident76.8Confident45 Ų4552.8 Ų52.821%0.20827%0.267CS..EExtended strand (participates in β ladder)trans-96.8119.5169.3-176.2-137.2000108.7T510 N511 L513 E666 I668T510-H519 CarbonylContact C-O 3.55Å; T510-H519 WeakPolarHBondContact CA-O 3.38Å; N511-H519 PolarHBondContact N-O 2.97Å; N511-H519 WeakPolarHBondContact O-CB 3.3Å; N511-H519 PolarHBondContact O-N 2.86Å; L513-H519 HydrophobicContact CD1-CB 4.17Å; L513-H519 HydrophobicContact CG-CB 4.21Å; H519-E666 IonicContact NE2-OE2 2.66Å; H519-I668 HydrophobicContact CB-CG1 4.28Å; H519-I668 VanDerWaalsContact CD2-CG1 3.44Å; H519-I668 WeakPolarHBondContact CD2-CG1 3.16Å
520I87.4Confident74.7Confident2 Ų252.6 Ų52.61%0.0128%0.278CS..EExtended strand (participates in β ladder)trans-114.6124.2-178.7-52.2173.5000107.3I508 Q509 T510 V518 W522 L570 E666 V667 L669 I680 I682 L699I508-I520 HydrophobicContact CG2-CG2 3.91Å; Q509-I520 CarbonylContact O-C 3.58Å; Q509-I520 WeakPolarHBondContact O-CA 3.48Å; T510-I520 HydrophobicContact CG2-CG1 4.37Å; T510-I520 HydrophobicContact CG2-CG2 4.26Å; V518-I520 HydrophobicContact CG1-CD1 4.13Å; V518-I520 HydrophobicContact CG1-CG1 4.09Å; V518-I520 HydrophobicContact CG2-CG1 4.03Å; I520-W522 HydrophobicContact CG2-CE3 4.03Å; I520-W522 HydrophobicContact CG2-CZ3 4.17Å; I520-L570 HydrophobicContact CD1-CD2 4.47Å; I520-E666 CarbonylContact O-C 3.59Å; I520-E666 VanDerWaalsContact O-CA 3.27Å; I520-E666 WeakPolarHBondContact O-CA 3.41Å; I520-V667 PolarHBondContact N-O 2.81Å; I520-V667 PolarHBondContact O-N 3.49Å; I520-L669 HydrophobicContact CD1-CD1 3.73Å; I520-L669 HydrophobicContact CD1-CG 4.38Å; I520-I680 HydrophobicContact CD1-CD1 3.43Å; I520-I680 VanDerWaalsContact CD1-CD1 3.43Å; I520-I682 HydrophobicContact CG2-CD1 4.34Å; I520-L699 HydrophobicContact CD1-CD1 3.86Å; I520-L699 HydrophobicContact CG1-CD1 4.48Å
521K86.6Confident72.5Confident81 Ų8155 Ų5535%0.35230%0.297SS..EExtended strand (participates in β ladder)trans-126.9142.6177.4179.6172.8-179.4170.50109.3I508 Q509 T665 E666I508-K521 CarbonylContact C-O 3.6Å; I508-K521 WeakPolarHBondContact CA-O 3.13Å; Q509-K521 PolarHBondContact N-O 2.79Å; Q509-K521 PolarHBondContact O-N 2.78Å; K521-T665 WeakPolarHBondContact CA-O 3.43Å; K521-E666 HydrophobicContact CB-CB 4.2Å; K521-E666 HydrophobicContact CG-CB 4.22Å
522W86.2Confident70.1Confident2 Ų255.7 Ų55.71%0.00831%0.309CS..EExtended strand (participates in β ladder)trans-141.4168.3178.259.289.8000111.4I505 I508 I520 Y568 T662 Q664 T665 V667 I682I505-W522 HydrophobicContact CG2-CB 4.01Å; I505-W522 HydrophobicContact CG2-CG 4.01Å; I508-W522 HydrophobicContact CB-CB 4.4Å; I508-W522 HydrophobicContact CG1-CB 3.81Å; I508-W522 HydrophobicContact CG2-CB 4.46Å; I520-W522 HydrophobicContact CG2-CE3 4.03Å; I520-W522 HydrophobicContact CG2-CZ3 4.17Å; W522-Y568 HydrophobicContact CZ2-CD1 4.08Å; W522-Y568 AromaticContact CZ2-CD2 3.91Å; W522-Y568 HydrophobicContact CZ2-CD2 3.91Å; W522-Y568 AromaticContact CZ2-CG 3.63Å; W522-Y568 HydrophobicContact CZ2-CG 3.63Å; W522-Y568 AromaticContact NE1-CD1 3.5Å; W522-Y568 AromaticContact NE1-CE1 3.51Å; W522-Y568 AromaticContact NE1-CG 3.94Å; W522-Y568 AromaticContact NE1-CZ 3.93Å; W522-T662 HydrophobicContact CH2-CG2 4.05Å; W522-T662 HydrophobicContact CZ2-CG2 4.23Å; W522-Q664 WeakPolarHBondContact CZ2-O 3.3Å; W522-T665 PolarHBondContact N-O 2.72Å; W522-T665 WeakPolarHBondContact O-CB 3.48Å; W522-V667 HydrophobicContact CH2-CB 4.45Å; W522-V667 HydrophobicContact CH2-CG2 3.83Å; W522-V667 HydrophobicContact CZ3-CB 4.46Å; W522-V667 HydrophobicContact CZ3-CG2 4.31Å; W522-I682 HydrophobicContact CD2-CD1 3.82Å; W522-I682 HydrophobicContact CD2-CG2 4.28Å; W522-I682 HydrophobicContact CE3-CD1 3.56Å; W522-I682 HydrophobicContact CG-CD1 4.26Å; W522-I682 HydrophobicContact CH2-CG2 4.48Å; W522-I682 HydrophobicContact CZ2-CG2 4.1Å; W522-I682 HydrophobicContact CZ3-CD1 4.04Å
523E80.9Confident67.8Low49 Ų4958.7 Ų58.723%0.22934%0.34CS..EExtended strand (participates in β ladder)trans-120.7153175-58.5-166.5154.400110.8S506 D507 Y525 K557S506-E523 PolarHBondContact N-O 3.36Å; S506-E523 VanDerWaalsContact N-O 3.07Å; S506-E523 PolarHBondContact O-N 3.01Å; S506-E523 VanDerWaalsContact O-O 3.12Å; D507-E523 HydrophobicContact CB-CB 4.29Å; D507-E523 HydrophobicContact CB-CG 4.22Å; E523-Y525 HydrophobicContact CB-CD2 4.47Å; E523-Y525 HydrophobicContact CB-CE2 3.73Å; E523-Y525 PolarHBondContact OE2-OH 3.26Å; E523-K557 VanDerWaalsContact CD-CE 3.41Å; E523-K557 WeakPolarHBondContact OE1-CE 3.35Å; E523-K557 IonicContact OE1-NZ 3.51Å; E523-K557 PolarHBondContact OE1-NZ 2.04Å; E523-K557 WeakPolarHBondContact OE2-CE 3.09Å; E523-K557 IonicContact OE2-NZ 3.48Å; E523-K557 PolarHBondContact OE2-NZ 2.95Å
524V76.7Confident65.3Low11 Ų1158.4 Ų58.47%0.06735%0.347CS..EExtended strand (participates in β ladder)trans-120.9126.8-177.8-174.50000109.4Y503 I558 Y568 T665Y503-V524 HydrophobicContact CD1-CG1 4.18Å; V524-I558 HydrophobicContact CG1-CD1 4.1Å; V524-I558 PolarHBondContact O-N 3.35Å; V524-Y568 HydrophobicContact CG2-CE1 3.73Å; V524-Y568 WeakPolarHBondContact CG2-OH 3.45Å; V524-T665 HydrophobicContact CG2-CG2 4.47Å
525Y72.3Confident63Low36 Ų3659.6 Ų59.614%0.14136%0.361CS..EExtended strand (participates in β ladder)trans-117.4136.2-178.4-65.4-93000110Y503 L504 S506 D507 E523 I555 K557Y503-Y525 CarbonylContact C-O 3.48Å; Y503-Y525 VanDerWaalsContact CA-O 3.31Å; Y503-Y525 WeakPolarHBondContact CA-O 3.37Å; L504-Y525 PolarHBondContact N-O 3.11Å; L504-Y525 PolarHBondContact O-N 3.19Å; S506-Y525 WeakPolarHBondContact OG-CD2 3.48Å; S506-Y525 WeakPolarHBondContact OG-CE2 3.38Å; D507-Y525 WeakPolarHBondContact OD2-CE2 3.23Å; D507-Y525 PolarHBondContact OD2-OH 3.49Å; E523-Y525 HydrophobicContact CB-CD2 4.47Å; E523-Y525 HydrophobicContact CB-CE2 3.73Å; E523-Y525 PolarHBondContact OE2-OH 3.26Å; Y525-I555 HydrophobicContact CD1-CG2 3.73Å; Y525-I555 HydrophobicContact CG-CG2 3.98Å; Y525-K557 HydrophobicContact CD1-CB 3.85Å; Y525-K557 HydrophobicContact CD1-CG 4.32Å; Y525-K557 HydrophobicContact CE1-CB 3.58Å; Y525-K557 HydrophobicContact CE1-CD 4.1Å; Y525-K557 HydrophobicContact CE1-CG 3.84Å
526Q68.1Low60.8Low53 Ų5364.4 Ų64.425%0.24839%0.387CS..EExtended strand (participates in β ladder)trans-93126.8172.4-171.9174.3-10.200109.5Y503 I528 N556 I558Y503-Q526 HydrophobicContact CD1-CB 3.85Å; Y503-Q526 HydrophobicContact CD1-CG 4.07Å; Y503-Q526 HydrophobicContact CE1-CB 3.59Å; Y503-Q526 HydrophobicContact CE1-CG 3.55Å; Q526-I528 HydrophobicContact CG-CG1 4.28Å; Q526-N556 PolarHBondContact N-O 2.84Å; Q526-N556 PolarHBondContact O-N 2.88Å; Q526-I558 HydrophobicContact CB-CD1 4.16Å; Q526-I558 HydrophobicContact CB-CG1 4.29Å
527I59.9Low58.6Low43 Ų4369.3 Ų69.322%0.22142%0.421CS..EExtended strand (participates in β ladder)trans-89109.7172.9-56.1174.3000107.4T502 L504 I553T502-I527 PolarHBondContact O-N 2.87Å; L504-I527 HydrophobicContact CB-CD1 4.26Å; I527-I553 HydrophobicContact CG2-CG2 3.61Å
528I54.1Low56.1Low72 Ų7275.3 Ų75.337%0.36946%0.458SS..EExtended strand (participates in β ladder)trans-95.1104.7176.5-55.2173.7000107.7Q526 S530 K554 N556Q526-I528 HydrophobicContact CG-CG1 4.28Å; I528-S530 PolarHBondContact O-N 2.97Å; I528-K554 PolarHBondContact N-O 3.27Å; I528-N556 WeakPolarHBondContact CD1-ND2 3.48Å
529T47.4Very low53.4Low103 Ų10380.3 Ų80.363%0.63249%0.493SS*.  trans-82.3108.1166.243.80000108.5S531T529-S531 PolarHBondContact O-N 3.32Å
530S38.8Very low50.6Low106 Ų10683.8 Ų83.874%0.74152%0.518SS*.  trans-60.6107.2172.245.40000109.1I528I528-S530 PolarHBondContact O-N 2.97Å
531S37.6Very low47.6Very low103 Ų10393 Ų9372%0.7256%0.563SS**  trans-103.3133.8173.343.20000109.9T529T529-S531 PolarHBondContact O-N 3.32Å
532S34.5Very low44.8Very low109 Ų10996.1 Ų96.176%0.76258%0.582SS**  trans77.786.4167.667.40000118.3S534S532-S534 PolarHBondContact O-N 3.41Å
533S32.5Very low42Very low129 Ų129101.6 Ų101.690%0.90262%0.616SS**  trans-64.3116.2132.4460000107.5
534S30.9Very low39.4Very low100 Ų100104.3 Ų104.370%0.69964%0.64SS**  trans-73.5156.2179.743.30000111.8S532S532-S534 PolarHBondContact O-N 3.41Å
535S31.1Very low37.2Very low104 Ų104111 Ų11173%0.72768%0.676SS**  trans70.687.9167.463.90000117.6S537S535-S537 PolarHBondContact O-N 2.86Å
536L27Very low34.9Very low188 Ų188117.6 Ų117.698%0.98471%0.713SS**  trans-60112.7147.8-80.584.4000108.3
537S28.7Very low33.1Very low111 Ų111121.2 Ų121.278%0.77674%0.739SS**  trans-121.9141.815551.80000108.9S535S535-S537 PolarHBondContact O-N 2.86Å
538T26.9Very low31.9Very low135 Ų135125.5 Ų125.583%0.82876%0.762SS**  trans-70.3157-153.138.10000116.4
539S27.3Very low30.8Very low104 Ų104127.2 Ų127.273%0.72778%0.78SS**  trans82.4104158.579.10000117.3
540T26.8Very low30.3Very low118 Ų118130.5 Ų130.572%0.72479%0.786SS**  171.5129.4106.2330000108.7I542T540-I542 PolarHBondContact O-N 3.46Å
541M25.2Very low30.2Very low195 Ų195131.7 Ų131.796%0.96178%0.784SS**  trans-62.7104168.9-80.8-97.9-113.400108.1
542I28.5Very low30.3Very low147 Ų147132 Ų13275%0.75478%0.783SS**  trans-112.7108.4164.7-60.1179.9000107.5T540T540-I542 PolarHBondContact O-N 3.46Å
543T26.5Very low30.8Very low118 Ų118132.3 Ų132.372%0.72478%0.776SS**  trans-61.5147.2167390000111.9
544S27.2Very low31.5Very low106 Ų106133.5 Ų133.574%0.74176%0.764SS**SBendtrans83.3118.2160.271.90000119.2
545N29.2Very low32.5Very low152 Ų152133.1 Ų133.181%0.81375%0.754SS**  trans71.567.9151.3-59.9-6.2000118.8
546L25Very low33.8Very low174 Ų174132.2 Ų132.291%0.91174%0.741SS**  trans-88.499.6155.5-80160.6000109.3N548L546-N548 PolarHBondContact O-N 3.35Å
547T30.3Very low35.2Very low129 Ų129128.4 Ų128.479%0.79172%0.716SS**  trans-57.9122.7161.545.60000109.2S549T547-S549 PolarHBondContact O-N 2.98Å
548N34.7Very low36.6Very low133 Ų133124.7 Ų124.771%0.71169%0.687SS**  trans-43.795.9178.3-69.2-33.1000113.8L546 F550L546-N548 PolarHBondContact O-N 3.35Å; N548-F550 HydrophobicContact CB-CD2 3.73Å; N548-F550 HydrophobicContact CB-CE2 3.59Å; N548-F550 PolarHBondContact O-N 3.11Å
549S31.1Very low37.9Very low107 Ų107122.9 Ų122.975%0.74868%0.676SS**  trans-86.984154.365.80000107.6T547 D551T547-S549 PolarHBondContact O-N 2.98Å; S549-D551 PolarHBondContact O-N 2.66Å; S549-D551 VanDerWaalsContact O-N 3.16Å
550F36.6Very low39.1Very low173 Ų173123.6 Ų123.676%0.75968%0.676SS**  trans-67.5109.2164.6-73.8-77.6000107.2N548 P552N548-F550 HydrophobicContact CB-CD2 3.73Å; N548-F550 HydrophobicContact CB-CE2 3.59Å; N548-F550 PolarHBondContact O-N 3.11Å; F550-P552 WeakPolarHBondContact O-CD 3.27Å
551D36.3Very low40.1Very low130 Ų130125.5 Ų125.570%0.69568%0.682SS**  trans-56.4121.6169.6-80.3-37.2000108.5S549 I553S549-D551 PolarHBondContact O-N 2.66Å; S549-D551 VanDerWaalsContact O-N 3.16Å; D551-I553 PolarHBondContact O-N 3.23Å
552P40.8Very low41.1Very low110 Ų110121.1 Ų121.171%0.71466%0.662SS**  trans-63.9124.6-177.123.5-31.6000109.8F550 K554F550-P552 WeakPolarHBondContact O-CD 3.27Å; P552-K554 PolarHBondContact O-N 3.36Å
553I43.7Very low42Very low116 Ų116120.7 Ų120.760%0.59567%0.666SS**  trans-54.5110.2171.3-61.2171.6000107.6I527 D551 I555I527-I553 HydrophobicContact CG2-CG2 3.61Å; D551-I553 PolarHBondContact O-N 3.23Å; I553-I555 HydrophobicContact CG2-CG1 4.25Å; I553-I555 PolarHBondContact O-N 2.94Å
554K48.8Very low43.3Very low153 Ų153118.2 Ų118.267%0.66565%0.648SS**EExtended strand (participates in β ladder)trans-74.3113.1175.3-82.5-176.5178.1175.90109.3I528 P552I528-K554 PolarHBondContact N-O 3.27Å; P552-K554 PolarHBondContact O-N 3.36Å
555I50.5Low44.8Very low93 Ų93120.4 Ų120.448%0.47765%0.651SS.*EExtended strand (participates in β ladder)trans-99.2110.1173.8-57.4175.8000107.2Y525 I553Y525-I555 HydrophobicContact CD1-CG2 3.73Å; Y525-I555 HydrophobicContact CG-CG2 3.98Å; I553-I555 HydrophobicContact CG2-CG1 4.25Å; I553-I555 PolarHBondContact O-N 2.94Å
556N58Low46.7Very low85 Ų85113.8 Ų113.846%0.45562%0.615SS.*EExtended strand (participates in β ladder)trans-99124.5177.8-73.7-9.7000109.9Q526 I528 I558Q526-N556 PolarHBondContact N-O 2.84Å; Q526-N556 PolarHBondContact O-N 2.88Å; I528-N556 WeakPolarHBondContact CD1-ND2 3.48Å; N556-I558 PolarHBondContact O-N 2.78Å
557K56.7Low48.7Very low108 Ų108108.8 Ų108.847%0.4759%0.592SS.*EExtended strand (participates in β ladder)trans-68.4124.6169.9-174.3169.3172.8162.90109.4E523 Y525 T559E523-K557 VanDerWaalsContact CD-CE 3.41Å; E523-K557 WeakPolarHBondContact OE1-CE 3.35Å; E523-K557 IonicContact OE1-NZ 3.51Å; E523-K557 PolarHBondContact OE1-NZ 2.04Å; E523-K557 WeakPolarHBondContact OE2-CE 3.09Å; E523-K557 IonicContact OE2-NZ 3.48Å; E523-K557 PolarHBondContact OE2-NZ 2.95Å; Y525-K557 HydrophobicContact CD1-CB 3.85Å; Y525-K557 HydrophobicContact CD1-CG 4.32Å; Y525-K557 HydrophobicContact CE1-CB 3.58Å; Y525-K557 HydrophobicContact CE1-CD 4.1Å; Y525-K557 HydrophobicContact CE1-CG 3.84Å; K557-T559 PolarHBondContact O-N 2.98Å
558I58.8Low50.9Low33 Ų33103.1 Ų103.117%0.16956%0.556CS.*  trans-81.1106.9178.9-55.3170.9000107.7Y503 V524 Q526 N556 L562 F566Y503-I558 HydrophobicContact CD1-CD1 3.58Å; Y503-I558 HydrophobicContact CE1-CD1 3.42Å; Y503-I558 VanDerWaalsContact CE1-CD1 3.42Å; V524-I558 HydrophobicContact CG1-CD1 4.1Å; V524-I558 PolarHBondContact O-N 3.35Å; Q526-I558 HydrophobicContact CB-CD1 4.16Å; Q526-I558 HydrophobicContact CB-CG1 4.29Å; N556-I558 PolarHBondContact O-N 2.78Å; I558-L562 HydrophobicContact CG2-CB 4.27Å; I558-L562 HydrophobicContact CG2-CD1 4.16Å; I558-F566 HydrophobicContact CD1-CE2 4.3Å
559T54.2Low52.8Low96 Ų9698.1 Ų98.159%0.58953%0.528SS*.  trans-71132.8168.542.60000108.9K557 N561 L562K557-T559 PolarHBondContact O-N 2.98Å; T559-N561 PolarHBondContact O-N 2.83Å; T559-L562 PolarHBondContact O-N 3.06Å
560T53Low55.1Low120 Ų12093 Ų9374%0.73649%0.493SS*.THydrogen-bonded Turntrans-58.31.8-169.449.50000116.4
561N46.7Very low56.8Low157 Ų15785 Ų8584%0.8446%0.458SS*.THydrogen-bonded Turntrans-89.2-3.2174.9-81.2-2.1000114T559T559-N561 PolarHBondContact O-N 2.83Å
562L45.9Very low58.5Low103 Ų10379.5 Ų79.554%0.53943%0.428SS..SBendtrans-79.6133.9173.3-82.5149.2000110.8I558 T559 I564I558-L562 HydrophobicContact CG2-CB 4.27Å; I558-L562 HydrophobicContact CG2-CD1 4.16Å; T559-L562 PolarHBondContact O-N 3.06Å; L562-I564 PolarHBondContact O-N 3.44Å
563T48.9Very low59.8Low138 Ų13874.9 Ų74.985%0.84740%0.397SS*.SBendtrans-64.325.3-17045.60000116.5
564I52.5Low60.7Low67 Ų6772 Ų7234%0.34438%0.383SS..  trans-105.9100.1-176.9-51.8175.2000108.8L562 F566L562-I564 PolarHBondContact O-N 3.44Å; I564-F566 HydrophobicContact CB-CE2 4.19Å; I564-F566 HydrophobicContact CG2-CD2 4.01Å; I564-F566 HydrophobicContact CG2-CE2 3.67Å; I564-F566 HydrophobicContact CG2-CZ 4.05Å; I564-F566 PolarHBondContact O-N 2.95Å
565N59.6Low61Low151 Ų15170.6 Ų70.681%0.80738%0.379SS*.  trans-71.994.2174.3-73.1-8.2000110
566F67.8Low60.9Low14 Ų1472.9 Ų72.96%0.06139%0.385CS..  trans-75.3141.8167-75.4-83.2000110.6Y503 I558 I564 Y568 A684 S686Y503-F566 AromaticContact CD1-CZ 3.78Å; Y503-F566 HydrophobicContact CD1-CZ 3.78Å; Y503-F566 HydrophobicContact CD2-CE1 4.26Å; Y503-F566 HydrophobicContact CD2-CZ 4.14Å; Y503-F566 HydrophobicContact CE1-CE2 4.46Å; Y503-F566 AromaticContact CE1-CZ 3.74Å; Y503-F566 HydrophobicContact CE1-CZ 3.74Å; Y503-F566 HydrophobicContact CE2-CE1 4.5Å; Y503-F566 HydrophobicContact CE2-CZ 4.12Å; Y503-F566 HydrophobicContact CG-CE1 4.25Å; Y503-F566 AromaticContact CG-CZ 3.97Å; Y503-F566 HydrophobicContact CG-CZ 3.97Å; Y503-F566 AromaticContact CZ-CZ 3.9Å; I558-F566 HydrophobicContact CD1-CE2 4.3Å; I564-F566 HydrophobicContact CB-CE2 4.19Å; I564-F566 HydrophobicContact CG2-CD2 4.01Å; I564-F566 HydrophobicContact CG2-CE2 3.67Å; I564-F566 HydrophobicContact CG2-CZ 4.05Å; I564-F566 PolarHBondContact O-N 2.95Å; F566-Y568 HydrophobicContact CB-CE1 4.06Å; F566-Y568 HydrophobicContact CB-CE2 3.9Å; F566-A684 HydrophobicContact CD1-CB 3.93Å; F566-A684 HydrophobicContact CE1-CB 4.33Å; F566-S686 VanDerWaalsContact CE1-CB 3.42Å
567T67.8Low59.9Low68 Ų6874.4 Ų74.442%0.41739%0.394SS..EExtended strand (participates in β ladder)trans-110.8115.8165.251.50000108.5T662 Q685T567-T662 CarbonylContact C-O 3.54Å; T567-Q685 PolarHBondContact N-O 2.79Å; T567-Q685 WeakPolarHBondContact O-CA 3.48Å; T567-Q685 VanDerWaalsContact O-CB 3.28Å; T567-Q685 WeakPolarHBondContact O-CB 3.47Å; T567-Q685 PolarHBondContact O-N 3.22Å; T567-Q685 PolarHBondContact OG1-O 2.64Å
568Y77.1Confident58.8Low11 Ų1177.5 Ų77.54%0.04341%0.41CS..EExtended strand (participates in β ladder)trans-89.4131.9-180-53.3-83.1000110.2W522 V524 F566 Y661 T662 Q664 T665 R683 A684W522-Y568 HydrophobicContact CZ2-CD1 4.08Å; W522-Y568 AromaticContact CZ2-CD2 3.91Å; W522-Y568 HydrophobicContact CZ2-CD2 3.91Å; W522-Y568 AromaticContact CZ2-CG 3.63Å; W522-Y568 HydrophobicContact CZ2-CG 3.63Å; W522-Y568 AromaticContact NE1-CD1 3.5Å; W522-Y568 AromaticContact NE1-CE1 3.51Å; W522-Y568 AromaticContact NE1-CG 3.94Å; W522-Y568 AromaticContact NE1-CZ 3.93Å; V524-Y568 HydrophobicContact CG2-CE1 3.73Å; V524-Y568 WeakPolarHBondContact CG2-OH 3.45Å; F566-Y568 HydrophobicContact CB-CE1 4.06Å; F566-Y568 HydrophobicContact CB-CE2 3.9Å; Y568-Y661 VanDerWaalsContact O-CA 3.3Å; Y568-Y661 WeakPolarHBondContact O-CA 3.48Å; Y568-T662 HydrophobicContact CD2-CG2 4.31Å; Y568-T662 PolarHBondContact N-O 3.5Å; Y568-T662 PolarHBondContact O-N 3.19Å; Y568-Q664 VanDerWaalsContact CD2-O 3.28Å; Y568-Q664 WeakPolarHBondContact CD2-O 2.98Å; Y568-T665 HydrophobicContact CE2-CG2 3.88Å; Y568-T665 WeakPolarHBondContact OH-CG2 3.25Å; Y568-R683 CarbonylContact C-O 3.58Å; Y568-R683 VanDerWaalsContact CA-O 3.32Å; Y568-R683 WeakPolarHBondContact CA-O 3.08Å; Y568-A684 HydrophobicContact CD1-CB 3.78Å; Y568-A684 HydrophobicContact CE1-CB 3.7Å
569Q75.1Confident57.3Low27 Ų2781.8 Ų81.813%0.12643%0.433CS..EExtended strand (participates in β ladder)trans-102.8117.1172-177.4-176.26.900108.1V659 Y661 R683Q569-V659 HydrophobicContact CG-CG1 3.6Å; Q569-Y661 HydrophobicContact CB-CD1 4.02Å; Q569-Y661 HydrophobicContact CB-CE1 3.75Å; Q569-Y661 HydrophobicContact CG-CD1 4.22Å; Q569-Y661 HydrophobicContact CG-CE1 3.62Å; Q569-Y661 PolarHBondContact NE2-OH 2.83Å; Q569-R683 HydrophobicContact CB-CB 4.45Å; Q569-R683 PolarHBondContact N-O 3.48Å; Q569-R683 PolarHBondContact O-N 3.04Å
570L78.5Confident56Low1 Ų182 Ų821%0.00543%0.434CS..EExtended strand (participates in β ladder)trans-101117.1175.2-155.778.7000108.7I520 L572 V659 H660 L669 I680 I682I520-L570 HydrophobicContact CD1-CD2 4.47Å; L570-L572 HydrophobicContact CD2-CD1 4.09Å; L570-L572 HydrophobicContact CG-CD1 4.47Å; L570-V659 CarbonylContact O-C 3.57Å; L570-V659 VanDerWaalsContact O-CA 3.31Å; L570-V659 WeakPolarHBondContact O-CA 3.43Å; L570-H660 HydrophobicContact CB-CB 4.36Å; L570-H660 PolarHBondContact N-O 3.18Å; L570-H660 PolarHBondContact O-N 3.04Å; L570-L669 HydrophobicContact CD2-CD1 3.78Å; L570-L669 HydrophobicContact CD2-CD2 4.05Å; L570-L669 HydrophobicContact CD2-CG 4.23Å; L570-I680 HydrophobicContact CD1-CG2 3.62Å; L570-I680 HydrophobicContact CD2-CG2 4.26Å; L570-I680 HydrophobicContact CG-CG2 3.8Å; L570-I682 HydrophobicContact CD1-CB 4.11Å; L570-I682 HydrophobicContact CD1-CD1 3.79Å; L570-I682 HydrophobicContact CD1-CG1 3.53Å; L570-I682 HydrophobicContact CD1-CG2 4Å
571C72.7Confident54.6Low3 Ų384.2 Ų84.22%0.0244%0.436CS..EExtended strand (participates in β ladder)trans-104.9119.4177.7-67.90000109.1F573 P656 I680 Q681C571-F573 HydrophobicContact CB-CE2 3.52Å; C571-F573 HydrophobicContact CB-CZ 3.75Å; C571-P656 HydrophobicContact CB-CB 3.91Å; C571-P656 HydrophobicContact CB-CG 4.43Å; C571-I680 WeakPolarHBondContact O-CA 3.24Å; C571-Q681 PolarHBondContact N-O 3.44Å; C571-Q681 PolarHBondContact O-N 3.49Å
572L70.5Confident53.7Low15 Ų1586.8 Ų86.88%0.07944%0.435CS..EExtended strand (participates in β ladder)trans-99.3135.1174.1-105.681.8000110.5L570 P656 D657 A658 L669 L672 F678 L679 I680L570-L572 HydrophobicContact CD2-CD1 4.09Å; L570-L572 HydrophobicContact CG-CD1 4.47Å; L572-P656 CarbonylContact O-C 3.49Å; L572-P656 WeakPolarHBondContact O-CA 3.25Å; L572-D657 PolarHBondContact O-N 3.22Å; L572-A658 HydrophobicContact CB-CB 4.26Å; L572-A658 PolarHBondContact N-O 3.2Å; L572-A658 PolarHBondContact O-N 3.46Å; L572-L669 HydrophobicContact CD1-CD1 3.65Å; L572-L669 HydrophobicContact CD2-CD1 4.44Å; L572-L672 HydrophobicContact CD2-CD2 3.53Å; L572-F678 HydrophobicContact CD2-CB 4.23Å; L572-F678 HydrophobicContact CD2-CD1 3.91Å; L572-F678 HydrophobicContact CD2-CG 4.12Å; L572-L679 WeakPolarHBondContact CA-O 3.35Å; L572-I680 HydrophobicContact CD1-CD1 3.62Å; L572-I680 HydrophobicContact CD1-CG1 3.74Å; L572-I680 HydrophobicContact CG-CD1 4.11Å; L572-I680 HydrophobicContact CG-CG1 3.88Å
573F68.3Low52.6Low14 Ų1490.9 Ų90.96%0.06145%0.448CS..EExtended strand (participates in β ladder)trans-130.3132174.4-47.9-99.7000109.1C571 L652 I653 G654 Y655 P656 D657 F678 L679 Q681C571-F573 HydrophobicContact CB-CE2 3.52Å; C571-F573 HydrophobicContact CB-CZ 3.75Å; F573-L652 HydrophobicContact CZ-CD2 4.33Å; F573-I653 WeakPolarHBondContact CD1-O 3.11Å; F573-I653 WeakPolarHBondContact CE1-O 3.18Å; F573-G654 WeakPolarHBondContact CE1-O 3.16Å; F573-Y655 WeakPolarHBondContact CD1-O 3.05Å; F573-P656 VanDerWaalsContact CD1-CA 3.5Å; F573-P656 HydrophobicContact CD1-CB 4.17Å; F573-P656 HydrophobicContact CE1-CB 3.7Å; F573-P656 HydrophobicContact CE1-CG 4.32Å; F573-P656 VanDerWaalsContact CE1-N 3.26Å; F573-P656 HydrophobicContact CE2-CB 4.42Å; F573-P656 HydrophobicContact CZ-CB 3.85Å; F573-P656 HydrophobicContact CZ-CG 4.46Å; F573-D657 WeakPolarHBondContact CA-OD2 3.35Å; F573-F678 CarbonylContact O-C 3.45Å; F573-F678 WeakPolarHBondContact O-CA 3.27Å; F573-L679 HydrophobicContact CB-CB 4.14Å; F573-L679 HydrophobicContact CD2-CB 4.5Å; F573-L679 HydrophobicContact CD2-CD2 4.48Å; F573-L679 PolarHBondContact N-O 3.19Å; F573-L679 PolarHBondContact O-N 3.3Å; F573-Q681 HydrophobicContact CE2-CB 4.46Å
574D62.3Low51.6Low54 Ų5491 Ų9129%0.28944%0.444SS..EExtended strand (participates in β ladder)trans-85.8134.1170.2-168.40.8000109F576 D657 S674 S676D574-F576 PolarHBondContact O-N 3.08Å; D574-D657 WeakPolarHBondContact CB-OD2 3.23Å; D574-D657 PolarHBondContact N-OD2 3.13Å; D574-S674 PolarHBondContact OD1-OG 2.87Å; D574-S676 PolarHBondContact OD1-OG 3.01Å
575Q56.3Low50.4Low125 Ų12596 Ų9658%0.58447%0.471SS*.THydrogen-bonded Turntrans-62.5-20.3-171.1-157.2-174.3-7.400113.7S676Q575-S676 VanDerWaalsContact CB-CB 3.49Å; Q575-S676 PolarHBondContact OE1-O 3.41Å
576F47.8Very low48.8Very low140 Ų14095.1 Ų95.161%0.61446%0.462SS*.THydrogen-bonded Turntrans-96.310.2-172.6-91.1-68.3000116.3D574 E578 S676D574-F576 PolarHBondContact O-N 3.08Å; F576-E578 PolarHBondContact O-N 3Å; F576-E578 VanDerWaalsContact O-N 3.16Å; F576-S676 WeakPolarHBondContact CD2-OG 3.29Å
577N37.1Very low46.6Very low118 Ų118100.8 Ų100.863%0.63150%0.498SS*.THydrogen-bonded Turntrans-79.111.1-179.7-128.6-4.6000115.2D657N577-D657 PolarHBondContact ND2-OD1 3.33Å
578E33.2Very low44.5Very low172 Ų172106.6 Ų106.680%0.80451%0.514SS*.THydrogen-bonded Turntrans-92.422.9174-76.7-163.3166.500115F576 V580F576-E578 PolarHBondContact O-N 3Å; F576-E578 VanDerWaalsContact O-N 3.16Å; E578-V580 PolarHBondContact O-N 3.23Å
579N28.1Very low41.9Very low123 Ų123112.5 Ų112.566%0.65855%0.551SS**  trans-80.355.4169.7-76.9-22.8000112.3H581N579-H581 PolarHBondContact O-N 2.91Å
580V26.5Very low39.4Very low100 Ų100117.7 Ų117.761%0.60658%0.579SS**  trans-83.882153.6-176.40000105.8E578 Y582E578-V580 PolarHBondContact O-N 3.23Å; V580-Y582 VanDerWaalsContact C-N 3.26Å; V580-Y582 HydrophobicContact CB-CE2 4.48Å; V580-Y582 HydrophobicContact CG1-CD2 3.82Å; V580-Y582 HydrophobicContact CG1-CE2 3.69Å; V580-Y582 PolarHBondContact O-N 2.9Å
581H24.1Very low36.8Very low167 Ų167127 Ų12777%0.77362%0.622SS**  trans-62.191.5171.3-105.4-63.9000108.6N579 K583N579-H581 PolarHBondContact O-N 2.91Å; H581-K583 VanDerWaalsContact C-N 3.27Å; H581-K583 PolarHBondContact O-N 2.95Å
582Y26.7Very low34.4Very low212 Ų212132.2 Ų132.283%0.83165%0.654SS**  trans-64.989.1165.7-88.3-89.3000108.2V580 N584V580-Y582 VanDerWaalsContact C-N 3.26Å; V580-Y582 HydrophobicContact CB-CE2 4.48Å; V580-Y582 HydrophobicContact CG1-CD2 3.82Å; V580-Y582 HydrophobicContact CG1-CE2 3.69Å; V580-Y582 PolarHBondContact O-N 2.9Å; Y582-N584 PolarHBondContact O-N 3.42Å
583K24Very low32.3Very low188 Ų188138.9 Ų138.982%0.81769%0.69SS**  trans-72.7103.9154.5-89.9-174.3174.6-179.30106.5H581H581-K583 VanDerWaalsContact C-N 3.27Å; H581-K583 PolarHBondContact O-N 2.95Å
584N28.5Very low30.5Very low142 Ų142143.2 Ų143.276%0.75972%0.72SS**  trans-168.698.5134.2-92.2-14.3000108.2Y582 Q586Y582-N584 PolarHBondContact O-N 3.42Å; N584-Q586 PolarHBondContact O-N 3.16Å
585D26.8Very low28.9Very low170 Ų170147.3 Ų147.391%0.90974%0.742SS**  trans-58.281.4149.6-73.3-39.3000107.9
586Q24.6Very low27.6Very low133 Ų133150.8 Ų150.862%0.62176%0.757SS**  trans-131.996.4151.9-72.2-149.2-14.600107.3N584 Y588N584-Q586 PolarHBondContact O-N 3.16Å; Q586-Y588 HydrophobicContact CB-CE2 4.27Å; Q586-Y588 WeakPolarHBondContact O-CD2 3.48Å; Q586-Y588 PolarHBondContact O-N 2.88Å
587T23.1Very low26.5Very low133 Ų133153 Ų15382%0.81677%0.766SS**  trans-5997.8173.5360000110T589T587-T589 PolarHBondContact O-N 3.21Å
588Y22.6Very low26.1Very low190 Ų190154 Ų15475%0.74577%0.772SS**  trans-81101.7165.1-68.3-82.7000108.7Q586 I590Q586-Y588 HydrophobicContact CB-CE2 4.27Å; Q586-Y588 WeakPolarHBondContact O-CD2 3.48Å; Q586-Y588 PolarHBondContact O-N 2.88Å; Y588-I590 PolarHBondContact O-N 3.05Å; Y588-I590 VanDerWaalsContact O-N 3.13Å
589T22.8Very low25.7Very low135 Ų135154.6 Ų154.683%0.82877%0.774SS**  trans-74.992.3168.133.10000108.6T587 Q591T587-T589 PolarHBondContact O-N 3.21Å; T589-Q591 PolarHBondContact O-N 3.13Å
590I22.8Very low25.4Very low137 Ų137160.3 Ų160.370%0.70379%0.789SS**  trans-79.798.4168.6-55.4176.1000106.5Y588 T592Y588-I590 PolarHBondContact O-N 3.05Å; Y588-I590 VanDerWaalsContact O-N 3.13Å; I590-T592 VanDerWaalsContact C-N 3.33Å; I590-T592 HydrophobicContact CG2-CG2 3.88Å; I590-T592 PolarHBondContact O-N 3.08Å
591Q23.1Very low25.1Very low195 Ų195160.9 Ų160.991%0.91180%0.797SS**  trans-66.394.1165-99.4173.8-44.400108.3T589T589-Q591 PolarHBondContact O-N 3.13Å
592T24.3Very low25Very low114 Ų114163.4 Ų163.470%0.69980%0.801SS**  trans-83.6106.3165.649.80000108.3I590 P594I590-T592 VanDerWaalsContact C-N 3.33Å; I590-T592 HydrophobicContact CG2-CG2 3.88Å; I590-T592 PolarHBondContact O-N 3.08Å; T592-P594 WeakPolarHBondContact O-CD 3.48Å
593D25.7Very low24.8Very low154 Ų154161.9 Ų161.982%0.82480%0.804SS**  trans-68.4116.2172.2-154-2.9000108.9D595D593-D595 PolarHBondContact O-N 2.94Å
594P31.1Very low24.7Very low106 Ų106159.3 Ų159.369%0.68880%0.799SS**  trans-94.361.8-166.937.8-33.5000111.1T592T592-P594 WeakPolarHBondContact O-CD 3.48Å
595D28.5Very low24.5Very low140 Ų140161 Ų16175%0.74980%0.802SS**  trans-151.991.4168.2-90.2-37.4000109.9D593D593-D595 PolarHBondContact O-N 2.94Å
596H28Very low24.3Very low197 Ų197162.6 Ų162.691%0.91280%0.801SS**  trans-177.1108.2136.3-97.3-60.3000111.2
597K25.8Very low24.2Very low186 Ų186165.9 Ų165.981%0.80981%0.813SS**  trans-67.9149.4163.9-71.8174.7176.1172.90110.4
598N27.1Very low24.1Very low140 Ų140165.5 Ų165.575%0.74981%0.811SS**  trans76.4101.4157.1-58.7-18.4000118.1
599H24.6Very low24.1Very low184 Ų184164 Ų16485%0.85282%0.816SS**  172.4126.3106.5-97.98.1000111
600Y22.2Very low24.1Very low244 Ų244164.5 Ų164.596%0.95781%0.812SS**  trans-76118172.8-77.2-91.7000110
601S21.6Very low24Very low112 Ų112165.5 Ų165.578%0.78382%0.818SS**  trans-157.3117.9152.265.10000111.4
602Y21.6Very low24Very low219 Ų219163.9 Ų163.986%0.85982%0.815SS**  trans-5.2126.8154.4-112.9-106000116.9
603M21.9Very low23.9Very low180 Ų180164.8 Ų164.889%0.88782%0.821SS**  trans-162.2149.4143.7-100.9-51.9158.500112.9
604D22.1Very low23.6Very low135 Ų135168 Ų16872%0.72282%0.823SS**  trans-72.9158.8-158.5-88.4-49.9000119.2
605H24.1Very low23.2Very low178 Ų178170 Ų17082%0.82483%0.826SS**  trans-51.6132.4171.6-67.1-81.1000115.6
606K22.5Very low22.8Very low203 Ų203171.6 Ų171.688%0.88383%0.829SS**  trans-125.5116.8149.1-88.1-174.9177.7176.50110.7
607K22.6Very low22.7Very low201 Ų201169.4 Ų169.487%0.87482%0.824SS**  trans-63.4124.9170.6-75.8173.8172.3176.50110.4
608T22Very low22.6Very low125 Ų125168.4 Ų168.477%0.76783%0.828SS**  trans-109.6116.7165.643.60000109.7
609N22Very low22.6Very low160 Ų160169.3 Ų169.386%0.85683%0.831SS**  trans-71.6127.6175.5-73.2-23.2000110.5
610I23Very low22.6Very low144 Ų144168.2 Ų168.274%0.73883%0.831SS**  trans-116.6116.6171.9-62.4175.3000108.2
611N21.1Very low22.7Very low158 Ų158166.5 Ų166.585%0.84583%0.825SS**  trans-78.3124174.4-85-21.1000110.1
612L22.3Very low23Very low162 Ų162168.9 Ų168.985%0.84883%0.828SS**  trans-103.7111.8177.1-79.4153.4000110
613T21.3Very low23.1Very low132 Ų132164.8 Ų164.881%0.8182%0.822SS**  trans-95.9121.6170.843.20000110.5
614Y20.1Very low23.3Very low223 Ų223163.3 Ų163.388%0.87582%0.817SS**  trans-73.3130.5177.1-109.3-103.8000111.3
615I22.8Very low23.6Very low147 Ų147164.8 Ų164.875%0.75482%0.82SS**  trans-121.6115.3166.2-64177.7000107.9
616E21.3Very low23.5Very low173 Ų173161.6 Ų161.681%0.80882%0.817SS**  trans-69.9128.4175.2-70.3175.8145.600110.8
617N25.8Very low23.6Very low152 Ų152155.4 Ų155.481%0.81381%0.811SS**  trans-119116.8167.5-91.5-25.5000110.4
618N23.4Very low23.6Very low165 Ų165154 Ų15488%0.88281%0.808SS**  trans-54.3130.6178.7-73.5-44.8000113.6
619I26.8Very low23.6Very low159 Ų159158.5 Ų158.582%0.81581%0.81SS**  trans-120.5120.3164.2-63178.5000109.2
620N25.3Very low23.5Very low161 Ų161162.3 Ų162.386%0.86181%0.813SS**  trans-62.8128.8-175-110.4-22.2000113.4
621Y22.8Very low23.5Very low207 Ų207161.2 Ų161.281%0.81282%0.818SS**  trans-87.6113.3171.9-100-96.5000110.6
622N27.7Very low23.5Very low162 Ų162165.1 Ų165.187%0.86682%0.821SS**  trans-92.6105.7163.8-88.1-16.5000109.7
623N24.3Very low23.4Very low134 Ų134169.1 Ų169.172%0.71783%0.825SS**  trans-69.4136.1168.5-73.6-41.4000110.5
624N26.9Very low23.4Very low149 Ų149171 Ų17180%0.79783%0.825SS**  trans-162.6119.8142.3-92.7-24000111.8
625H27.3Very low23.4Very low166 Ų166170 Ų17077%0.76983%0.825SS**  trans69.291.4153.3-68.2-59.9000122.9
626S22.5Very low23.4Very low111 Ų111169.1 Ų169.178%0.77682%0.821SS**  15.5128.8119.559.80000121.4
627G23.6Very low23.4Very low73 Ų73170.2 Ų170.275%0.75382%0.824SS**  trans148.194.7143.600000118.8
628E24.5Very low23.3Very low172 Ų172170 Ų17080%0.80482%0.823SS**  trans73.2109.2147.2-58.5-158.6134.700124.6
629R20.6Very low23.2Very low218 Ų218172.2 Ų172.282%0.82382%0.824SS**  64116.1126.8-70.3-177.7173.9176.51.6123.1
630R21.2Very low23.1Very low241 Ų241169.4 Ų169.491%0.90983%0.825SS**  trans68.7108140.5-72.2-177.5174.1172.8-1.3119.1
631S23Very low22.9Very low121 Ų121170.5 Ų170.585%0.84683%0.827SS**  -169.3144.9107.770.10000112.2
632R19.5Very low22.9Very low240 Ų240169.4 Ų169.491%0.90683%0.829SS**  trans-48.9135.1179.2-87169.9160.9166.1-6.5113.5
633R21.1Very low22.7Very low246 Ų246169.5 Ų169.593%0.92882%0.824SS**  177.787.8120.3-94169.8-167.9-161.14.9109.6
634Q20.8Very low22.6Very low172 Ų172169.7 Ų169.780%0.80483%0.83SS**  trans-112.7106.8161.8-84.6-178.4-27.900108L636Q634-L636 HydrophobicContact CG-CD1 4.11Å
635F21.3Very low22.5Very low202 Ų202169.1 Ų169.189%0.88683%0.828SS**  trans-88.5112.8138.7-84.7-86.2000104.7
636L21.9Very low22.3Very low127 Ų127168.4 Ų168.467%0.66583%0.828SS**  trans-14692.1170.8-107.8141.3000107.7Q634Q634-L636 HydrophobicContact CG-CD1 4.11Å
637F21.9Very low22.4Very low197 Ų197168 Ų16886%0.86482%0.822SS**  trans-68122.7159.5-98.5-95.2000107.7
638N22.3Very low22.4Very low148 Ų148174.9 Ų174.979%0.79183%0.826SS**  trans-143.995.9162.9-107.2-11.3000107.9
639K22.7Very low22.4Very low211 Ų211170.7 Ų170.792%0.91783%0.829SS**  trans-138.6103.5154.6-106.6-175.5178.6-177.90108.6
640A23.3Very low23Very low100 Ų100163 Ų16383%0.82681%0.806SS**  trans-7.7132.8168.900000119.5
641M21.4Very low23.7Very low183 Ų183154.1 Ų154.190%0.90179%0.79SS**  trans-39.8139.2159.8-67.7160.177.500114.8
642Q23.5Very low24.3Very low184 Ų184151.2 Ų151.286%0.8677%0.765SS**  trans-147.9129.1154.9-105.3178.5-900111.1
643Q23.7Very low25.3Very low164 Ų164144.5 Ų144.577%0.76675%0.746SS**  trans68.599157.5-117161.9-15.200120.4
644T22.6Very low26.4Very low138 Ų138135.5 Ų135.585%0.84773%0.729SS**  trans-88.5101.9167.148.40000110.4
645D23.4Very low27.7Very low138 Ų138137 Ų13774%0.73873%0.729SS**  trans-103.9123.9162.1-83.3-30000108.6T647D645-T647 PolarHBondContact O-N 3.14Å; D645-T647 VanDerWaalsContact O-N 3.08Å
646L24.2Very low29.2Very low150 Ų150129.5 Ų129.579%0.78570%0.7SS**  trans-57.8109.8-177.3-76.798.1000111.2Y648L646-Y648 PolarHBondContact O-N 3.23Å
647T24.3Very low31Very low103 Ų103127.3 Ų127.363%0.63269%0.689SS**  trans-73.991.4175.741.40000111D645 G649D645-T647 PolarHBondContact O-N 3.14Å; D645-T647 VanDerWaalsContact O-N 3.08Å; T647-G649 PolarHBondContact O-N 3.4Å
648Y22.9Very low33Very low218 Ų218120.5 Ų120.586%0.85567%0.669SS**SBendtrans-65.5114.9160-75.1-85.3000109.3L646L646-Y648 PolarHBondContact O-N 3.23Å
649G25.6Very low35.1Very low83 Ų83116.3 Ų116.386%0.85665%0.649SS**SBendtrans102.2-4.815900000118T647T647-G649 PolarHBondContact O-N 3.4Å
650T33.1Very low37.4Very low56 Ų56110.7 Ų110.734%0.34463%0.626SS.*  trans-91.5108.1167.459.60000107.9L652T650-L652 PolarHBondContact O-N 3.29Å
651G35.9Very low39.8Very low55 Ų55112.3 Ų112.357%0.56761%0.611SS**  trans-63.224.3178.400000116.1Q681G651-Q681 PolarHBondContact O-NE2 3.28Å; G651-Q681 VanDerWaalsContact O-NE2 3.12Å
652L35.1Very low42.4Very low61 Ų61104.7 Ų104.732%0.31958%0.575SS.*  trans-82.1116.8168.7-73.3169.4000108.5F573 T650 G654 F693F573-L652 HydrophobicContact CZ-CD2 4.33Å; T650-L652 PolarHBondContact O-N 3.29Å; L652-G654 PolarHBondContact O-N 3.37Å; L652-F693 HydrophobicContact CD1-CE2 4.17Å; L652-F693 HydrophobicContact CD1-CZ 3.85Å; L652-F693 HydrophobicContact CD2-CD1 4.09Å; L652-F693 HydrophobicContact CD2-CE1 3.47Å; L652-F693 VanDerWaalsContact CD2-CE1 3.47Å; L652-F693 HydrophobicContact CD2-CE2 3.99Å; L652-F693 HydrophobicContact CD2-CZ 3.4Å; L652-F693 HydrophobicContact CG-CE1 4.26Å; L652-F693 HydrophobicContact CG-CE2 3.86Å; L652-F693 HydrophobicContact CG-CZ 3.69Å
653I40.9Very low44.8Very low99 Ų9998.8 Ų98.851%0.50856%0.563SS.*  trans-85.397172.3-58.1168.8000106.5F573 L679F573-I653 WeakPolarHBondContact CD1-O 3.11Å; F573-I653 WeakPolarHBondContact CE1-O 3.18Å; I653-L679 HydrophobicContact CD1-CD2 4.26Å
654G43.3Very low47.4Very low56 Ų5696.9 Ų96.958%0.57755%0.554SS**SBendtrans75.6-174.8174.400000116F573 L652F573-G654 WeakPolarHBondContact CE1-O 3.16Å; L652-G654 PolarHBondContact O-N 3.37Å
655Y48.8Very low50.2Low205 Ų20592 Ų9280%0.80452%0.524SS*.  trans-85.6131.5173.9-75.5-83.3000109.8F573F573-Y655 WeakPolarHBondContact CD1-O 3.05Å
656P53.6Low53.1Low43 Ų4389 Ų8928%0.27951%0.506SS..  trans-68.8134.417926.5-32.8000111.3C571 L572 F573 A658 V659C571-P656 HydrophobicContact CB-CB 3.91Å; C571-P656 HydrophobicContact CB-CG 4.43Å; L572-P656 CarbonylContact O-C 3.49Å; L572-P656 WeakPolarHBondContact O-CA 3.25Å; F573-P656 VanDerWaalsContact CD1-CA 3.5Å; F573-P656 HydrophobicContact CD1-CB 4.17Å; F573-P656 HydrophobicContact CE1-CB 3.7Å; F573-P656 HydrophobicContact CE1-CG 4.32Å; F573-P656 VanDerWaalsContact CE1-N 3.26Å; F573-P656 HydrophobicContact CE2-CB 4.42Å; F573-P656 HydrophobicContact CZ-CB 3.85Å; F573-P656 HydrophobicContact CZ-CG 4.46Å; P656-A658 PolarHBondContact O-N 2.97Å; P656-V659 HydrophobicContact CB-CG2 3.82Å; P656-V659 HydrophobicContact CG-CG2 3.38Å
657D58.7Low56.1Low82 Ų8282.4 Ų82.444%0.43947%0.472SS..SBendtrans-68.1-28.2174-61.1-55000111.7L572 F573 D574 N577L572-D657 PolarHBondContact O-N 3.22Å; F573-D657 WeakPolarHBondContact CA-OD2 3.35Å; D574-D657 WeakPolarHBondContact CB-OD2 3.23Å; D574-D657 PolarHBondContact N-OD2 3.13Å; N577-D657 PolarHBondContact ND2-OD1 3.33Å
658A63Low58.9Low53 Ų5380.4 Ų80.444%0.43846%0.457SS..EExtended strand (participates in β ladder)trans-147.8140.4172.800000111.8L572 P656L572-A658 HydrophobicContact CB-CB 4.26Å; L572-A658 PolarHBondContact N-O 3.2Å; L572-A658 PolarHBondContact O-N 3.46Å; P656-A658 PolarHBondContact O-N 2.97Å
659V67.3Low61.6Low60 Ų6071 Ų7136%0.36442%0.421SS..EExtended strand (participates in β ladder)trans-122125.8174.3-176.20000109.7Q569 L570 P656 Y661Q569-V659 HydrophobicContact CG-CG1 3.6Å; L570-V659 CarbonylContact O-C 3.57Å; L570-V659 VanDerWaalsContact O-CA 3.31Å; L570-V659 WeakPolarHBondContact O-CA 3.43Å; P656-V659 HydrophobicContact CB-CG2 3.82Å; P656-V659 HydrophobicContact CG-CG2 3.38Å; V659-Y661 HydrophobicContact CG1-CD2 4.28Å; V659-Y661 HydrophobicContact CG1-CE2 3.63Å
660H70.8Confident64.1Low94 Ų9474 Ų7444%0.43541%0.408SS..EExtended strand (participates in β ladder)trans-120135.1177.5-168.271.7000110.7L570L570-H660 HydrophobicContact CB-CB 4.36Å; L570-H660 PolarHBondContact N-O 3.18Å; L570-H660 PolarHBondContact O-N 3.04Å
661Y73.6Confident66Low134 Ų13476.6 Ų76.653%0.52542%0.419SS..EExtended strand (participates in β ladder)trans-110.6128.7178.4-66.1-88.7000110.2Y568 Q569 V659Y568-Y661 VanDerWaalsContact O-CA 3.3Å; Y568-Y661 WeakPolarHBondContact O-CA 3.48Å; Q569-Y661 HydrophobicContact CB-CD1 4.02Å; Q569-Y661 HydrophobicContact CB-CE1 3.75Å; Q569-Y661 HydrophobicContact CG-CD1 4.22Å; Q569-Y661 HydrophobicContact CG-CE1 3.62Å; Q569-Y661 PolarHBondContact NE2-OH 2.83Å; V659-Y661 HydrophobicContact CG1-CD2 4.28Å; V659-Y661 HydrophobicContact CG1-CE2 3.63Å
662T75.6Confident67.7Low22 Ų2274.6 Ų74.614%0.13540%0.396CS..EExtended strand (participates in β ladder)trans-134.4150.1177.5-178.90000111.2W522 T567 Y568 Q664 V667W522-T662 HydrophobicContact CH2-CG2 4.05Å; W522-T662 HydrophobicContact CZ2-CG2 4.23Å; T567-T662 CarbonylContact C-O 3.54Å; Y568-T662 HydrophobicContact CD2-CG2 4.31Å; Y568-T662 PolarHBondContact N-O 3.5Å; Y568-T662 PolarHBondContact O-N 3.19Å; T662-Q664 VanDerWaalsContact CG2-O 3.3Å; T662-Q664 WeakPolarHBondContact CG2-O 3.35Å; T662-Q664 PolarHBondContact OG1-N 2.98Å; T662-V667 HydrophobicContact CG2-CG2 3.37Å
663G74.7Confident69.1Low60 Ų6078.6 Ų78.662%0.61941%0.408SS*.SBendtrans-90.3-5.6168.300000113.6
664Q78.7Confident70.2Confident124 Ų12474.2 Ų74.258%0.57939%0.386SS*.SBendtrans-102.9152.3-175.6-64.5178.9-24.100110.9W522 Y568 T662 E666W522-Q664 WeakPolarHBondContact CZ2-O 3.3Å; Y568-Q664 VanDerWaalsContact CD2-O 3.28Å; Y568-Q664 WeakPolarHBondContact CD2-O 2.98Å; T662-Q664 VanDerWaalsContact CG2-O 3.3Å; T662-Q664 WeakPolarHBondContact CG2-O 3.35Å; T662-Q664 PolarHBondContact OG1-N 2.98Å; Q664-E666 PolarHBondContact O-N 3.41Å
665T81Confident71Confident35 Ų3579.8 Ų79.822%0.21539%0.394CS..SBendtrans-82.614.7174.9560000113K521 W522 V524 Y568K521-T665 WeakPolarHBondContact CA-O 3.43Å; W522-T665 PolarHBondContact N-O 2.72Å; W522-T665 WeakPolarHBondContact O-CB 3.48Å; V524-T665 HydrophobicContact CG2-CG2 4.47Å; Y568-T665 HydrophobicContact CE2-CG2 3.88Å; Y568-T665 WeakPolarHBondContact OH-CG2 3.25Å
666E84.6Confident71.6Confident76 Ų7670.6 Ų70.636%0.35536%0.36SS..EExtended strand (participates in β ladder)trans-143.5141.5176.663.5-173.8-167.100110H519 I520 K521 Q664H519-E666 IonicContact NE2-OE2 2.66Å; I520-E666 CarbonylContact O-C 3.59Å; I520-E666 VanDerWaalsContact O-CA 3.27Å; I520-E666 WeakPolarHBondContact O-CA 3.41Å; K521-E666 HydrophobicContact CB-CB 4.2Å; K521-E666 HydrophobicContact CG-CB 4.22Å; Q664-E666 PolarHBondContact O-N 3.41Å
667V86.2Confident72.4Confident11 Ų1168.6 Ų68.67%0.06735%0.347CS..EExtended strand (participates in β ladder)trans-143.4140.3179.9172.20000109.4I520 W522 T662 L669I520-V667 PolarHBondContact N-O 2.81Å; I520-V667 PolarHBondContact O-N 3.49Å; W522-V667 HydrophobicContact CH2-CB 4.45Å; W522-V667 HydrophobicContact CH2-CG2 3.83Å; W522-V667 HydrophobicContact CZ3-CB 4.46Å; W522-V667 HydrophobicContact CZ3-CG2 4.31Å; T662-V667 HydrophobicContact CG2-CG2 3.37Å; V667-L669 HydrophobicContact CG1-CD2 3.81Å; V667-L669 HydrophobicContact CG1-CG 4.14Å
668I82.9Confident73.2Confident62 Ų6265.9 Ų65.932%0.31833%0.331SS..EExtended strand (participates in β ladder)trans-103.9117.4167.6-55.7171.6000108.2L513 V518 H519 Y670L513-I668 HydrophobicContact CD1-CD1 4.2Å; L513-I668 HydrophobicContact CD1-CG2 4.17Å; V518-I668 WeakPolarHBondContact O-CA 3.18Å; H519-I668 HydrophobicContact CB-CG1 4.28Å; H519-I668 VanDerWaalsContact CD2-CG1 3.44Å; H519-I668 WeakPolarHBondContact CD2-CG1 3.16Å; I668-Y670 HydrophobicContact CB-CE2 3.92Å; I668-Y670 HydrophobicContact CG2-CD1 4.38Å; I668-Y670 HydrophobicContact CG2-CD2 4.23Å; I668-Y670 HydrophobicContact CG2-CE1 3.81Å; I668-Y670 HydrophobicContact CG2-CE2 3.66Å; I668-Y670 VanDerWaalsContact CG2-CZ 3.41Å; I668-Y670 WeakPolarHBondContact O-CD2 3.28Å; I668-Y670 WeakPolarHBondContact O-CE2 3.41Å
669L81.3Confident73.7Confident19 Ų1965.2 Ų65.210%0.09932%0.32CS..EExtended strand (participates in β ladder)trans-95.2130.9172.5-61.8176.2000109.2T517 V518 I520 L570 L572 V667 L672 I680T517-L669 VanDerWaalsContact CA-O 3.25Å; T517-L669 WeakPolarHBondContact CA-O 3.48Å; V518-L669 HydrophobicContact CG1-CB 3.89Å; V518-L669 HydrophobicContact CG1-CD1 4.32Å; V518-L669 HydrophobicContact CG1-CG 4.5Å; V518-L669 PolarHBondContact N-O 3.42Å; V518-L669 PolarHBondContact O-N 2.95Å; I520-L669 HydrophobicContact CD1-CD1 3.73Å; I520-L669 HydrophobicContact CD1-CG 4.38Å; L570-L669 HydrophobicContact CD2-CD1 3.78Å; L570-L669 HydrophobicContact CD2-CD2 4.05Å; L570-L669 HydrophobicContact CD2-CG 4.23Å; L572-L669 HydrophobicContact CD1-CD1 3.65Å; L572-L669 HydrophobicContact CD2-CD1 4.44Å; V667-L669 HydrophobicContact CG1-CD2 3.81Å; V667-L669 HydrophobicContact CG1-CG 4.14Å; L669-L672 HydrophobicContact CB-CD1 3.96Å; L669-L672 HydrophobicContact CB-CG 4.31Å; L669-L672 HydrophobicContact CD1-CD1 4.22Å; L669-I680 HydrophobicContact CD1-CD1 3.77Å
670Y77.9Confident74.2Confident147 Ų14762.5 Ų62.558%0.57630%0.303SS*.  trans-108.8155.2-179.2-58.3-94.1000111S516 T517 I668 L672S516-Y670 CarbonylContact O-C 3.51Å; T517-Y670 HydrophobicContact CG2-CD1 3.46Å; T517-Y670 VanDerWaalsContact CG2-CD1 3.46Å; T517-Y670 HydrophobicContact CG2-CE1 4.2Å; T517-Y670 HydrophobicContact CG2-CG 4.2Å; I668-Y670 HydrophobicContact CB-CE2 3.92Å; I668-Y670 HydrophobicContact CG2-CD1 4.38Å; I668-Y670 HydrophobicContact CG2-CD2 4.23Å; I668-Y670 HydrophobicContact CG2-CE1 3.81Å; I668-Y670 HydrophobicContact CG2-CE2 3.66Å; I668-Y670 VanDerWaalsContact CG2-CZ 3.41Å; I668-Y670 WeakPolarHBondContact O-CD2 3.28Å; I668-Y670 WeakPolarHBondContact O-CE2 3.41Å; Y670-L672 PolarHBondContact O-N 2.94Å
671N72.6Confident74.5Confident110 Ų11058.3 Ų58.359%0.58828%0.284SS*.  trans61.338.7172.8-65-18.9000115.2S516 Y673S516-N671 PolarHBondContact O-N 2.9Å; N671-Y673 HydrophobicContact CB-CD2 4.22Å; N671-Y673 HydrophobicContact CB-CE2 3.67Å; N671-Y673 WeakPolarHBondContact O-CD2 3.35Å; N671-Y673 PolarHBondContact O-N 3.5Å
672L71.5Confident74.7Confident13 Ų1352 Ų527%0.06826%0.259CS..  trans-80.6102.7173.5-66-177.8000110.8W512 S516 V518 L572 L669 Y670 F678W512-L672 HydrophobicContact CH2-CB 4.2Å; W512-L672 HydrophobicContact CH2-CD1 4.1Å; W512-L672 HydrophobicContact CZ3-CB 4.39Å; S516-L672 PolarHBondContact O-N 3.33Å; V518-L672 HydrophobicContact CB-CD1 4.49Å; V518-L672 HydrophobicContact CG1-CD1 3.43Å; V518-L672 VanDerWaalsContact CG1-CD1 3.43Å; L572-L672 HydrophobicContact CD2-CD2 3.53Å; L669-L672 HydrophobicContact CB-CD1 3.96Å; L669-L672 HydrophobicContact CB-CG 4.31Å; L669-L672 HydrophobicContact CD1-CD1 4.22Å; Y670-L672 PolarHBondContact O-N 2.94Å; L672-F678 HydrophobicContact CB-CD2 4.11Å; L672-F678 HydrophobicContact CB-CE2 3.6Å; L672-F678 HydrophobicContact CB-CZ 4.26Å; L672-F678 HydrophobicContact CD1-CD2 4.43Å; L672-F678 HydrophobicContact CD2-CD2 4.18Å; L672-F678 HydrophobicContact CD2-CE1 4.43Å; L672-F678 HydrophobicContact CD2-CE2 3.99Å; L672-F678 HydrophobicContact CD2-CG 4.48Å; L672-F678 HydrophobicContact CD2-CZ 4.1Å; L672-F678 HydrophobicContact CG-CD2 4.48Å; L672-F678 HydrophobicContact CG-CE2 4.28Å
673Y64.1Low74.5Confident146 Ų14654.6 Ų54.657%0.57327%0.267SS*.  trans-123.271.8-178.5-57.8-75.4000111.4S516 N671S516-Y673 VanDerWaalsContact CB-CZ 3.45Å; S516-Y673 PolarHBondContact OG-OH 2.91Å; N671-Y673 HydrophobicContact CB-CD2 4.22Å; N671-Y673 HydrophobicContact CB-CE2 3.67Å; N671-Y673 WeakPolarHBondContact O-CD2 3.35Å; N671-Y673 PolarHBondContact O-N 3.5Å
674S64.4Low74.3Confident6 Ų651.8 Ų51.84%0.04224%0.238CC..  trans-121.1138.11711760000110.5D574 S676 G677 F704D574-S674 PolarHBondContact OD1-OG 2.87Å; S674-S676 PolarHBondContact OG-N 3.23Å; S674-S676 PolarHBondContact OG-OG 3.22Å; S674-G677 PolarHBondContact OG-N 3.36Å; S674-F704 WeakPolarHBondContact O-CD2 3.35Å; S674-F704 WeakPolarHBondContact O-CE2 3.34Å
675K59.5Low73.6Confident173 Ų17348.9 Ų48.975%0.75222%0.224SC*.SBendtrans-75-33.7173.4-91.2-175.4175.8-176.10111.9G677 F704K675-G677 VanDerWaalsContact C-N 3.29Å; K675-F704 HydrophobicContact CB-CZ 4.46Å; K675-F704 HydrophobicContact CD-CE1 4.33Å; K675-F704 HydrophobicContact CG-CD1 4.09Å; K675-F704 HydrophobicContact CG-CD2 4.47Å; K675-F704 HydrophobicContact CG-CE1 3.52Å; K675-F704 HydrophobicContact CG-CE2 3.95Å; K675-F704 HydrophobicContact CG-CZ 3.44Å; K675-F704 VanDerWaalsContact CG-CZ 3.44Å
676S61.9Low72.8Confident13 Ų1348.1 Ų48.19%0.09122%0.22CC..SBendtrans-71.7-25.6176.110.90000112.6D574 Q575 F576 S674 L700D574-S676 PolarHBondContact OD1-OG 3.01Å; Q575-S676 VanDerWaalsContact CB-CB 3.49Å; Q575-S676 PolarHBondContact OE1-O 3.41Å; F576-S676 WeakPolarHBondContact CD2-OG 3.29Å; S674-S676 PolarHBondContact OG-N 3.23Å; S674-S676 PolarHBondContact OG-OG 3.22Å; S676-L700 WeakPolarHBondContact O-CD2 3.46Å
677G69.4Low71.5Confident0 Ų048.7 Ų48.70%023%0.23CC..  trans85.1172.9-164.300000111.9S674 K675 L699S674-G677 PolarHBondContact OG-N 3.36Å; K675-G677 VanDerWaalsContact C-N 3.29Å; G677-L699 CarbonylContact C-O 3.46Å; G677-L699 WeakPolarHBondContact CA-O 3.13Å
678F75.4Confident70Confident25 Ų2552.6 Ų52.611%0.1125%0.251CS..EExtended strand (participates in β ladder)trans-117.7129.8-176-61.3-84.6000109.7L572 F573 L672 L699L572-F678 HydrophobicContact CD2-CB 4.23Å; L572-F678 HydrophobicContact CD2-CD1 3.91Å; L572-F678 HydrophobicContact CD2-CG 4.12Å; F573-F678 CarbonylContact O-C 3.45Å; F573-F678 WeakPolarHBondContact O-CA 3.27Å; L672-F678 HydrophobicContact CB-CD2 4.11Å; L672-F678 HydrophobicContact CB-CE2 3.6Å; L672-F678 HydrophobicContact CB-CZ 4.26Å; L672-F678 HydrophobicContact CD1-CD2 4.43Å; L672-F678 HydrophobicContact CD2-CD2 4.18Å; L672-F678 HydrophobicContact CD2-CE1 4.43Å; L672-F678 HydrophobicContact CD2-CE2 3.99Å; L672-F678 HydrophobicContact CD2-CG 4.48Å; L672-F678 HydrophobicContact CD2-CZ 4.1Å; L672-F678 HydrophobicContact CG-CD2 4.48Å; L672-F678 HydrophobicContact CG-CE2 4.28Å; F678-L699 PolarHBondContact N-O 3.14Å; F678-L699 PolarHBondContact O-N 3.14Å
679L74.9Confident68.8Low40 Ų4050 Ų5021%0.20924%0.239CC..EExtended strand (participates in β ladder)trans-81.1129165.4-154.688.4000108.5L572 F573 I653 P696 I697L572-L679 WeakPolarHBondContact CA-O 3.35Å; F573-L679 HydrophobicContact CB-CB 4.14Å; F573-L679 HydrophobicContact CD2-CB 4.5Å; F573-L679 HydrophobicContact CD2-CD2 4.48Å; F573-L679 PolarHBondContact N-O 3.19Å; F573-L679 PolarHBondContact O-N 3.3Å; I653-L679 HydrophobicContact CD1-CD2 4.26Å; L679-P696 HydrophobicContact CD1-CB 3.92Å; L679-P696 HydrophobicContact CD2-CB 3.5Å; L679-P696 VanDerWaalsContact CD2-CB 3.5Å; L679-P696 HydrophobicContact CD2-CG 4.45Å; L679-P696 HydrophobicContact CG-CB 3.65Å; L679-I697 CarbonylContact C-O 3.52Å; L679-I697 WeakPolarHBondContact CA-O 2.98Å
680I77.8Confident67.7Low3 Ų353.8 Ų53.82%0.01525%0.252CS..EExtended strand (participates in β ladder)trans-118.3128.8176.3-63.1-168.3000109.4I520 L570 C571 L572 L669 I682 P696 I697 L699I520-I680 HydrophobicContact CD1-CD1 3.43Å; I520-I680 VanDerWaalsContact CD1-CD1 3.43Å; L570-I680 HydrophobicContact CD1-CG2 3.62Å; L570-I680 HydrophobicContact CD2-CG2 4.26Å; L570-I680 HydrophobicContact CG-CG2 3.8Å; C571-I680 WeakPolarHBondContact O-CA 3.24Å; L572-I680 HydrophobicContact CD1-CD1 3.62Å; L572-I680 HydrophobicContact CD1-CG1 3.74Å; L572-I680 HydrophobicContact CG-CD1 4.11Å; L572-I680 HydrophobicContact CG-CG1 3.88Å; L669-I680 HydrophobicContact CD1-CD1 3.77Å; I680-I682 HydrophobicContact CG2-CG1 4.27Å; I680-P696 WeakPolarHBondContact O-CA 3.09Å; I680-I697 PolarHBondContact N-O 3.43Å; I680-I697 PolarHBondContact O-N 2.69Å; I680-L699 HydrophobicContact CD1-CD1 3.27Å; I680-L699 HydrophobicContact CD1-CG 4.09Å; I680-L699 HydrophobicContact CG1-CD1 4.13Å
681Q76.1Confident66.9Low6 Ų647.2 Ų47.23%0.02823%0.228CC..EExtended strand (participates in β ladder)trans-117.5136.4166.1-76.2-177.2-18.300109.9C571 F573 G651 F693 P696C571-Q681 PolarHBondContact N-O 3.44Å; C571-Q681 PolarHBondContact O-N 3.49Å; F573-Q681 HydrophobicContact CE2-CB 4.46Å; G651-Q681 PolarHBondContact O-NE2 3.28Å; G651-Q681 VanDerWaalsContact O-NE2 3.12Å; Q681-F693 HydrophobicContact CB-CD1 4.32Å; Q681-P696 HydrophobicContact CG-CB 3.75Å
682I78.2Confident66.4Low0 Ų044.5 Ų44.50%022%0.216CC..EExtended strand (participates in β ladder)trans-110.3129.6-179.8-38.1-164.3000108I505 I508 I520 W522 L570 I680 S694I505-I682 HydrophobicContact CD1-CB 4.15Å; I505-I682 HydrophobicContact CD1-CG2 4Å; I505-I682 WeakPolarHBondContact CD1-O 3.37Å; I508-I682 HydrophobicContact CD1-CD1 4.06Å; I508-I682 HydrophobicContact CD1-CG1 4.42Å; I508-I682 HydrophobicContact CG1-CD1 4.46Å; I508-I682 HydrophobicContact CG2-CD1 4.19Å; I520-I682 HydrophobicContact CG2-CD1 4.34Å; W522-I682 HydrophobicContact CD2-CD1 3.82Å; W522-I682 HydrophobicContact CD2-CG2 4.28Å; W522-I682 HydrophobicContact CE3-CD1 3.56Å; W522-I682 HydrophobicContact CG-CD1 4.26Å; W522-I682 HydrophobicContact CH2-CG2 4.48Å; W522-I682 HydrophobicContact CZ2-CG2 4.1Å; W522-I682 HydrophobicContact CZ3-CD1 4.04Å; L570-I682 HydrophobicContact CD1-CB 4.11Å; L570-I682 HydrophobicContact CD1-CD1 3.79Å; L570-I682 HydrophobicContact CD1-CG1 3.53Å; L570-I682 HydrophobicContact CD1-CG2 4Å; I680-I682 HydrophobicContact CG2-CG1 4.27Å; I682-S694 PolarHBondContact N-OG 2.99Å; I682-S694 PolarHBondContact O-N 3.41Å
683R72.6Confident65.9Low78 Ų7846.2 Ų46.229%0.29422%0.223SC..EExtended strand (participates in β ladder)trans-122.2126.7170.7-178.3175.4-177.1-172.23.5110.1Y568 Q569 Q685 F693Y568-R683 CarbonylContact C-O 3.58Å; Y568-R683 VanDerWaalsContact CA-O 3.32Å; Y568-R683 WeakPolarHBondContact CA-O 3.08Å; Q569-R683 HydrophobicContact CB-CB 4.45Å; Q569-R683 PolarHBondContact N-O 3.48Å; Q569-R683 PolarHBondContact O-N 3.04Å; R683-Q685 HydrophobicContact CG-CG 4.45Å; R683-F693 HydrophobicContact CB-CD1 3.58Å; R683-F693 HydrophobicContact CB-CE1 3.59Å; R683-F693 HydrophobicContact CB-CG 4.26Å; R683-F693 HydrophobicContact CB-CZ 4.3Å; R683-F693 HydrophobicContact CG-CD1 4.28Å; R683-F693 HydrophobicContact CG-CE1 4.16Å; R683-F693 HydrophobicContact CG-CZ 4.4Å
684A69.3Low66Low1 Ų139.7 Ų39.71%0.00820%0.199CC..EExtended strand (participates in β ladder)trans-79127.1167.200000107.8I505 F566 Y568 C691I505-A684 HydrophobicContact CD1-CB 4.03Å; I505-A684 HydrophobicContact CG1-CB 4.43Å; F566-A684 HydrophobicContact CD1-CB 3.93Å; F566-A684 HydrophobicContact CE1-CB 4.33Å; Y568-A684 HydrophobicContact CD1-CB 3.78Å; Y568-A684 HydrophobicContact CE1-CB 3.7Å; A684-C691 HydrophobicContact CB-CB 4.12Å; A684-C691 WeakPolarHBondContact O-CB 3.45Å; A684-C691 PolarHBondContact O-SG 2.87Å
685Q63.8Low66Low62 Ų6243.6 Ų43.629%0.2923%0.226SC..EExtended strand (participates in β ladder)trans-105.3122.8170.3-61.4-179.4-11.700107.9T567 R683T567-Q685 PolarHBondContact N-O 2.79Å; T567-Q685 WeakPolarHBondContact O-CA 3.48Å; T567-Q685 VanDerWaalsContact O-CB 3.28Å; T567-Q685 WeakPolarHBondContact O-CB 3.47Å; T567-Q685 PolarHBondContact O-N 3.22Å; T567-Q685 PolarHBondContact OG1-O 2.64Å; R683-Q685 HydrophobicContact CG-CG 4.45Å
686S64.3Low66.4Low20 Ų2038.1 Ų38.114%0.1421%0.208CC..  trans-132.1138.7172.2160.30000109.1F566 N688F566-S686 VanDerWaalsContact CE1-CB 3.42Å; S686-N688 PolarHBondContact O-N 2.83Å; S686-N688 VanDerWaalsContact O-N 3.16Å; S686-N688 PolarHBondContact OG-N 3.27Å
687P56.8Low67Low87 Ų8739.4 Ų39.457%0.56521%0.214SC*.THydrogen-bonded Turntrans-63.3-20.8-177.422.7-31.7000113.8T413T413-P687 PolarHBondContact OG1-O 3.28Å
688N55.3Low67.4Low93 Ų9343.5 Ų43.550%0.49724%0.235SC..THydrogen-bonded Turntrans-117.410.7-171.3-64.1-23000113.6N411 P501 S686N411-N688 PolarHBondContact ND2-OD1 2.89Å; P501-N688 WeakPolarHBondContact CD-O 3.43Å; S686-N688 PolarHBondContact O-N 2.83Å; S686-N688 VanDerWaalsContact O-N 3.16Å; S686-N688 PolarHBondContact OG-N 3.27Å
689A58.8Low67.3Low8 Ų842.5 Ų42.57%0.06623%0.231CC..  trans-137.7152.3-169.900000113.6P501 Y503P501-A689 HydrophobicContact CG-CB 4.25Å; Y503-A689 HydrophobicContact CD2-CB 3.46Å; Y503-A689 VanDerWaalsContact CD2-CB 3.46Å; Y503-A689 HydrophobicContact CE2-CB 3.23Å
690Y57.7Low67.1Low98 Ų9844.2 Ų44.238%0.38424%0.24SC..BIsolated β-bridgetrans-95.6111.3168.4-175.7-99.1000108.6P465 P501 T502P465-Y690 HydrophobicContact CG-CD2 3.79Å; P465-Y690 HydrophobicContact CG-CE2 4.28Å; P465-Y690 HydrophobicContact CG-CG 3.98Å; P501-Y690 PolarHBondContact O-N 2.74Å; P501-Y690 VanDerWaalsContact O-N 3.12Å; T502-Y690 WeakPolarHBondContact CA-O 3.4Å; T502-Y690 HydrophobicContact CG2-CD1 4.38Å
691C61.5Low66.5Low9 Ų944.3 Ų44.36%0.06124%0.241CC..  trans-113.7104.8-178.1-630000109.4A684A684-C691 HydrophobicContact CB-CB 4.12Å; A684-C691 WeakPolarHBondContact O-CB 3.45Å; A684-C691 PolarHBondContact O-SG 2.87Å
692P60.4Low65.9Low53 Ų5346.5 Ų46.534%0.34426%0.255SS..PPolyproline II helixtrans-61.5157.4169.826.6-34.2000111.1Y503Y503-P692 WeakPolarHBondContact O-CD 3.32Å
693F61.1Low64.9Low50 Ų5053 Ų5322%0.21928%0.284CS..BIsolated β-bridgetrans-65.6148167.6-71-91.5000109.7L652 Q681 R683L652-F693 HydrophobicContact CD1-CE2 4.17Å; L652-F693 HydrophobicContact CD1-CZ 3.85Å; L652-F693 HydrophobicContact CD2-CD1 4.09Å; L652-F693 HydrophobicContact CD2-CE1 3.47Å; L652-F693 VanDerWaalsContact CD2-CE1 3.47Å; L652-F693 HydrophobicContact CD2-CE2 3.99Å; L652-F693 HydrophobicContact CD2-CZ 3.4Å; L652-F693 HydrophobicContact CG-CE1 4.26Å; L652-F693 HydrophobicContact CG-CE2 3.86Å; L652-F693 HydrophobicContact CG-CZ 3.69Å; Q681-F693 HydrophobicContact CB-CD1 4.32Å; R683-F693 HydrophobicContact CB-CD1 3.58Å; R683-F693 HydrophobicContact CB-CE1 3.59Å; R683-F693 HydrophobicContact CB-CG 4.26Å; R683-F693 HydrophobicContact CB-CZ 4.3Å; R683-F693 HydrophobicContact CG-CD1 4.28Å; R683-F693 HydrophobicContact CG-CE1 4.16Å; R683-F693 HydrophobicContact CG-CZ 4.4Å
694S67.8Low64.1Low8 Ų852.4 Ų52.46%0.05628%0.283CS..PPolyproline II helixtrans-60.5159.2166.272.80000110.1I682I682-S694 PolarHBondContact N-OG 2.99Å; I682-S694 PolarHBondContact O-N 3.41Å
695S63.1Low62.8Low88 Ų8858.3 Ų58.362%0.61532%0.315SS*.PPolyproline II helixtrans-53.6138.9161.950.90000109.5I697S695-I697 PolarHBondContact O-N 2.94Å
696P68Low61.6Low58 Ų5861.7 Ų61.738%0.37733%0.334SS..PPolyproline II helixtrans-62.8134.8176.223.9-30.6000110.8L679 I680 Q681L679-P696 HydrophobicContact CD1-CB 3.92Å; L679-P696 HydrophobicContact CD2-CB 3.5Å; L679-P696 VanDerWaalsContact CD2-CB 3.5Å; L679-P696 HydrophobicContact CD2-CG 4.45Å; L679-P696 HydrophobicContact CG-CB 3.65Å; I680-P696 WeakPolarHBondContact O-CA 3.09Å; Q681-P696 HydrophobicContact CG-CB 3.75Å
697I75.3Confident60.3Low40 Ų4067.4 Ų67.421%0.20537%0.368CS..EExtended strand (participates in β ladder)trans-111.3128.6178.6-65.7168.3000109I508 L679 I680 S695I508-I697 HydrophobicContact CB-CD1 3.5Å; I508-I697 HydrophobicContact CD1-CD1 3.33Å; I508-I697 HydrophobicContact CD1-CG1 4.47Å; I508-I697 HydrophobicContact CG1-CD1 3.95Å; I508-I697 HydrophobicContact CG2-CD1 3.34Å; L679-I697 CarbonylContact C-O 3.52Å; L679-I697 WeakPolarHBondContact CA-O 2.98Å; I680-I697 PolarHBondContact N-O 3.43Å; I680-I697 PolarHBondContact O-N 2.69Å; S695-I697 PolarHBondContact O-N 2.94Å
698L76.4Confident59.3Low87 Ų8766.6 Ų66.646%0.45537%0.368SS..EExtended strand (participates in β ladder)trans-85.7120.6172.8-177.666000110.4L700L698-L700 HydrophobicContact CD2-CD1 4.35Å; L698-L700 HydrophobicContact CD2-CG 4.33Å; L698-L700 HydrophobicContact CG-CG 4.28Å
699L75Confident58.1Low4 Ų470 Ų702%0.02139%0.386CS..EExtended strand (participates in β ladder)trans-104111.7172.5-76.5-171.2000111.1T510 W512 V518 I520 G677 F678 I680T510-L699 HydrophobicContact CG2-CD2 3.69Å; W512-L699 HydrophobicContact CZ2-CB 4.22Å; V518-L699 HydrophobicContact CG1-CD1 3.89Å; V518-L699 HydrophobicContact CG2-CD1 4.16Å; V518-L699 HydrophobicContact CG2-CD2 4.33Å; I520-L699 HydrophobicContact CD1-CD1 3.86Å; I520-L699 HydrophobicContact CG1-CD1 4.48Å; G677-L699 CarbonylContact C-O 3.46Å; G677-L699 WeakPolarHBondContact CA-O 3.13Å; F678-L699 PolarHBondContact N-O 3.14Å; F678-L699 PolarHBondContact O-N 3.14Å; I680-L699 HydrophobicContact CD1-CD1 3.27Å; I680-L699 HydrophobicContact CD1-CG 4.09Å; I680-L699 HydrophobicContact CG1-CD1 4.13Å
700L69.3Low56.7Low76 Ų7675.6 Ų75.640%0.39842%0.42SS..  trans-97.6126.6171.9-65.1165.7000109.3W512 S676 L698W512-L700 WeakPolarHBondContact CZ2-O 3.27Å; W512-L700 PolarHBondContact NE1-O 3.11Å; S676-L700 WeakPolarHBondContact O-CD2 3.46Å; L698-L700 HydrophobicContact CD2-CD1 4.35Å; L698-L700 HydrophobicContact CD2-CG 4.33Å; L698-L700 HydrophobicContact CG-CG 4.28Å
701S65.5Low55.5Low4 Ų475.5 Ų75.53%0.02843%0.433CS..  trans-62.1139.9176164.60000110.2I515 K703 F704 N705I515-S701 PolarHBondContact O-OG 2.76Å; S701-K703 PolarHBondContact O-N 3.02Å; S701-K703 PolarHBondContact OG-N 3.08Å; S701-F704 CarbonylContact O-C 3.5Å; S701-F704 PolarHBondContact O-N 2.92Å; S701-N705 PolarHBondContact O-N 2.9Å
702P64.1Low54.1Low52 Ų5284 Ų8434%0.33847%0.472SS..G310 helixtrans-54.7-27.3177.4-24.731.7000113.1W512 F704 N705W512-P702 HydrophobicContact CB-CG 3.63Å; W512-P702 HydrophobicContact CD2-CG 3.75Å; W512-P702 VanDerWaalsContact CE3-CD 3.49Å; W512-P702 HydrophobicContact CE3-CG 4.07Å; W512-P702 HydrophobicContact CG-CG 3.54Å; P702-F704 PolarHBondContact O-N 3.24Å; P702-N705 WeakPolarHBondContact O-CB 3.08Å; P702-N705 PolarHBondContact O-N 2.85Å
703K57.7Low52.7Low137 Ų13789.6 Ų89.660%0.59650%0.498SS*.G310 helixtrans-63.5-24.4178.4-156.6179-176.5-179.80112.8I515 S701I515-K703 HydrophobicContact CB-CB 4.46Å; I515-K703 HydrophobicContact CD1-CD 4.43Å; S701-K703 PolarHBondContact O-N 3.02Å; S701-K703 PolarHBondContact OG-N 3.08Å
704F54.2Low51.1Low66 Ų6697.5 Ų97.529%0.28953%0.528SS..G310 helixtrans-116.719.9179.4-54.2-66.6000111.9S674 K675 S701 P702 I706S674-F704 WeakPolarHBondContact O-CD2 3.35Å; S674-F704 WeakPolarHBondContact O-CE2 3.34Å; K675-F704 HydrophobicContact CB-CZ 4.46Å; K675-F704 HydrophobicContact CD-CE1 4.33Å; K675-F704 HydrophobicContact CG-CD1 4.09Å; K675-F704 HydrophobicContact CG-CD2 4.47Å; K675-F704 HydrophobicContact CG-CE1 3.52Å; K675-F704 HydrophobicContact CG-CE2 3.95Å; K675-F704 HydrophobicContact CG-CZ 3.44Å; K675-F704 VanDerWaalsContact CG-CZ 3.44Å; S701-F704 CarbonylContact O-C 3.5Å; S701-F704 PolarHBondContact O-N 2.92Å; P702-F704 PolarHBondContact O-N 3.24Å; F704-I706 WeakPolarHBondContact O-CG1 3.27Å; F704-I706 PolarHBondContact O-N 3.35Å
705N42.1Very low49.3Very low125 Ų125104.1 Ų104.167%0.66856%0.563SS**  trans-71.675.3171.2-145.413.8000107.6S701 P702 T707S701-N705 PolarHBondContact O-N 2.9Å; P702-N705 WeakPolarHBondContact O-CB 3.08Å; P702-N705 PolarHBondContact O-N 2.85Å; N705-T707 PolarHBondContact O-N 3.18Å; N705-T707 VanDerWaalsContact O-N 3.11Å
706I40.4Very low47.7Very low133 Ų133107.2 Ų107.268%0.68257%0.573SS**  trans-60.6116.1-179.2-67162.6000105.6F704 A708F704-I706 WeakPolarHBondContact O-CG1 3.27Å; F704-I706 PolarHBondContact O-N 3.35Å; I706-A708 HydrophobicContact CG2-CB 4.12Å; I706-A708 PolarHBondContact O-N 3.44Å
707T35.1Very low45.8Very low140 Ų140112.2 Ų112.286%0.85959%0.591SS**  trans-56.781.3157.644.80000107.1N705 N709N705-T707 PolarHBondContact O-N 3.18Å; N705-T707 VanDerWaalsContact O-N 3.11Å; T707-N709 PolarHBondContact O-N 3.41Å
708A35.7Very low43.3Very low69 Ų69122 Ų12257%0.5763%0.625SS**  trans-80.893.1-173.600000108.2I706 T710I706-A708 HydrophobicContact CG2-CB 4.12Å; I706-A708 PolarHBondContact O-N 3.44Å; A708-T710 VanDerWaalsContact C-N 3.29Å; A708-T710 PolarHBondContact O-N 2.72Å
709N31.2Very low40.9Very low164 Ų164124.6 Ų124.688%0.87764%0.638SS**  trans-51.6106.9141.2-102.6-12.3000106.9T707 S711T707-N709 PolarHBondContact O-N 3.41Å; N709-S711 PolarHBondContact O-N 3.37Å
710T29.5Very low38.5Very low126 Ų126131.1 Ų131.177%0.77367%0.673SS**SBendtrans-61.6115.6174.839.70000109.7A708A708-T710 VanDerWaalsContact C-N 3.29Å; A708-T710 PolarHBondContact O-N 2.72Å
711S33.1Very low36.3Very low96 Ų96136 Ų13667%0.67169%0.691SS**SBendtrans-173.5-23.5146.136.60000115.2N709N709-S711 PolarHBondContact O-N 3.37Å
712E31.8Very low34.4Very low187 Ų187142.8 Ų142.887%0.87473%0.732SS**SBendtrans-96-9-169.4-72.9-170.4160.200117
713L29.5Very low32.5Very low171 Ų171144.6 Ų144.690%0.89574%0.742SS**SBendtrans-99.24.2-177.6-93.9156.8000115.9
714Y28.8Very low30.9Very low216 Ų216144.8 Ų144.885%0.84775%0.75SS**SBendtrans-104.10.3-176.5-127-89.7000116.4
715N30.2Very low29.4Very low148 Ų148149.6 Ų149.679%0.79177%0.773SS**SBendtrans-93.2-6.7-174.5-84.7-15.1000116.8
716N28.7Very low28.6Very low153 Ų153148.8 Ų148.882%0.81878%0.777SS**SBendtrans-113.46-174.4-82-6.4000117
717H27.6Very low27.7Very low162 Ų162150 Ų15075%0.7578%0.783SS**  trans-117.984.8172.2-74.9-62.1000111.7I719H717-I719 HydrophobicContact CB-CD1 4.46Å; H717-I719 HydrophobicContact CB-CG1 4.34Å; H717-I719 PolarHBondContact O-N 3.33Å
718R23.8Very low27Very low246 Ų246152.9 Ų152.993%0.92878%0.78SS**  trans-67.168.3163.8-150.9178.6-165.5175.13.3108.8N720R718-N720 PolarHBondContact O-N 2.97Å
719I26Very low26.4Very low141 Ų141155.1 Ų155.172%0.72378%0.782SS**  trans-80113.9168.3-65.9173.7000105.9H717 K721H717-I719 HydrophobicContact CB-CD1 4.46Å; H717-I719 HydrophobicContact CB-CG1 4.34Å; H717-I719 PolarHBondContact O-N 3.33Å; I719-K721 PolarHBondContact O-N 3.47Å
720N25.1Very low26Very low142 Ų142154.5 Ų154.576%0.75977%0.774SS**  trans-48110.6178.8-76.1-31.1000110.3R718 V722R718-N720 PolarHBondContact O-N 2.97Å; N720-V722 PolarHBondContact O-N 3.16Å
721K22.9Very low25.7Very low179 Ų179157 Ų15778%0.77878%0.782SS**  trans-53.598.9163.7-93.6180171.1177.20108.2I719 T723I719-K721 PolarHBondContact O-N 3.47Å; K721-T723 HydrophobicContact CB-CG2 4Å; K721-T723 HydrophobicContact CD-CG2 4.01Å; K721-T723 HydrophobicContact CG-CG2 3.92Å; K721-T723 PolarHBondContact O-N 2.83Å; K721-T723 VanDerWaalsContact O-N 3.12Å
722V25.1Very low25.2Very low146 Ų146158 Ų15889%0.88578%0.78SS**  trans-77.479.7151.2-178.30000105.3N720N720-V722 PolarHBondContact O-N 3.16Å
723T24.2Very low24.7Very low90 Ų90156.2 Ų156.255%0.55277%0.771SS**  trans-104.1116.9167.645.50000107.2K721K721-T723 HydrophobicContact CB-CG2 4Å; K721-T723 HydrophobicContact CD-CG2 4.01Å; K721-T723 HydrophobicContact CG-CG2 3.92Å; K721-T723 PolarHBondContact O-N 2.83Å; K721-T723 VanDerWaalsContact O-N 3.12Å
724N23.2Very low24.4Very low141 Ų141156.1 Ų156.175%0.75477%0.77SS**  trans166.7137.4153-87.1-1.2000106.6
725E23.1Very low24Very low167 Ų167152.8 Ų152.878%0.7877%0.765SS**  cis-176.3125.6-12.8-122.1-178.6175.700102.7
726S25.1Very low24.3Very low108 Ų108151.1 Ų151.176%0.75576%0.762SS**  trans172.786.4157.632.30000108.3
727I22.6Very low24Very low158 Ų158152 Ų15281%0.8177%0.765SS**  65.886.4102.8-61.3164.1000110
728Y20.1Very low23.7Very low201 Ų201148.7 Ų148.779%0.78876%0.76SS**  87.4127.983.8-110.8-63.9000114.4
729N23.1Very low23.6Very low115 Ų115143.3 Ų143.362%0.61576%0.755SS**  trans94.8123.5139.2-82.1-29.3000121.5
730Q23Very low23.6Very low152 Ų152141.5 Ų141.571%0.7176%0.761SS**  trans75.6104.4139.1-69.8176.7-28.900117.1
731L23.2Very low23.6Very low179 Ų179140.8 Ų140.894%0.93776%0.762SS**  -157.2123.6107.4-106.2137.5000111.8
732D21.2Very low23.4Very low116 Ų116140.4 Ų140.462%0.6277%0.768SS**  trans-72.3156.6-176.7-86.2-44.9000114.1
733H22Very low23.4Very low149 Ų149142 Ų14269%0.6977%0.765SS**  trans53.7131.1140.8-63.7-54.9000119.9
734I22.5Very low23.3Very low169 Ų169142.1 Ų142.187%0.86777%0.77SS**  -172.5134.594.1-85.1154.3000110
735I21.7Very low23.1Very low147 Ų147145.1 Ų145.175%0.75478%0.781SS**PPolyproline II helixtrans-82.2166.1-177.1-88.3170.3000110.6
736P35.3Very low23Very low113 Ų113141.5 Ų141.573%0.73477%0.774SS**PPolyproline II helixtrans-94.2163.6-143.238.3-33.5000114.4
737I22.3Very low22.9Very low172 Ų172143.3 Ų143.388%0.88278%0.776SS**PPolyproline II helixtrans-98.8131.5168.6-64.4173.2000109.9
738S22.3Very low22.9Very low91 Ų91144.4 Ų144.464%0.63678%0.778SS**PPolyproline II helixtrans-78142.7-169.351.50000115.2
739T21.9Very low22.9Very low133 Ų133144.4 Ų144.482%0.81678%0.782SS**  trans46.2113.3134.861.70000119.9
740A25.2Very low22.8Very low104 Ų104144.4 Ų144.486%0.8679%0.791SS**  trans-127.8110.7145.500000109.3
741T24.8Very low22.7Very low127 Ų127142.8 Ų142.878%0.77979%0.791SS**  trans-31.9124.9176.743.20000118.3
742L19.7Very low22.6Very low171 Ų171145.4 Ų145.490%0.89579%0.79SS**  trans-52.4129145.6-126.683.8000110.7
743H24.4Very low22.6Very low179 Ų179147 Ų14783%0.82980%0.797SS**  trans-128.1125.8149.9-103.1-64.5000110.1
744S21.8Very low22.6Very low93 Ų93144.9 Ų144.965%0.6580%0.799SS**  trans-42.7135.3174.252.20000116.9
745M19.6Very low22.6Very low203 Ų203141.4 Ų141.4100%179%0.79SS**  trans-126.5105.9139.1-86.1-177.768.100108.6
746S21.6Very low22.7Very low91 Ų91145 Ų14564%0.63680%0.8SS**  trans-102.6155.2167.455.10000109.8
747N21.6Very low22.1Very low146 Ų146146.2 Ų146.278%0.78180%0.799SS**  trans91.5133170.9-56.9-23.6000113.9
748Q23.2Very low22.1Very low182 Ų182144.5 Ų144.585%0.8579%0.792SS**  cis-161.9148.927.9-133.3163.413.800110.8
749K20.3Very low22.1Very low201 Ų201151.6 Ų151.687%0.87481%0.807SS**  trans-63.6142.4172.3-69.5169.7173.5175.40111.7
750S21.7Very low22.2Very low115 Ų115150.8 Ų150.880%0.80480%0.802SS**  trans-128.2103.5154.163.90000109.9
751T20.5Very low22Very low117 Ų117153.9 Ų153.972%0.71880%0.802SS**  trans-70.1123.4165.923.30000110.4
752Y20.6Very low21.9Very low235 Ų235154.4 Ų154.492%0.92280%0.8SS**  trans-134.8111150.8-97.7-84.3000108.2
753I21.1Very low22.1Very low148 Ų148156.4 Ų156.476%0.75980%0.802SS**  trans-110.8140.9172.3-76.7170.4000107.1
754S22.2Very low22Very low106 Ų106155.4 Ų155.474%0.74180%0.801SS**  trans98.7116.4156.569.60000120.6
755S23.7Very low22Very low95 Ų95155.4 Ų155.466%0.66480%0.801SS**  trans68.2105.514166.20000120.9
756F23.6Very low22.2Very low222 Ų222152.8 Ų152.897%0.97479%0.791SS**  trans-135.5108.7134.5-101.7-85.3000109.4
757I22.9Very low22.3Very low139 Ų139160.1 Ų160.171%0.71381%0.805SS**  trans-87.9150.4168.2-78.7171.4000108
758N21.4Very low22.3Very low137 Ų137158.6 Ų158.673%0.73381%0.806SS**  trans79.896.8168.9-66.5-16.9000118.2
759Y22.3Very low22.3Very low240 Ų240154.5 Ų154.594%0.94180%0.797SS**  trans-116.4107.2146.6-133-94.8000108.4
760T23.5Very low22.5Very low116 Ų116150 Ų15071%0.71279%0.791SS**  trans-72.5138.9-17632.30000112.1D762T760-D762 PolarHBondContact O-N 3.49Å
761I21.1Very low22.6Very low168 Ų168150 Ų15086%0.86279%0.791SS**  trans-65.3102.7153.8-65.2171.1000106.7
762D22.4Very low22.6Very low139 Ų139151 Ų15174%0.74380%0.797SS**  trans-171.9105.2147.4-118.9-11.5000111.3T760T760-D762 PolarHBondContact O-N 3.49Å
763K24.6Very low22.7Very low213 Ų213148 Ų14893%0.92680%0.796SS**  trans-173.991.2144-106.6170.4-176.2178.60110
764L22.1Very low22.8Very low157 Ų157145.6 Ų145.682%0.82279%0.793SS**  trans-55.3151.3155.6-90.1154.9000111.2
765S23.2Very low22.8Very low93 Ų93149 Ų14965%0.6580%0.802SS**  trans69.1114.1157.871.30000118.3
766N23.6Very low22.7Very low148 Ų148150.2 Ų150.279%0.79181%0.805SS**  159.1100.1124-82.6-25.2000110.6
767R23.3Very low22.6Very low246 Ų246148.9 Ų148.993%0.92880%0.799SS**  trans-169.684.6138-110.1170.2178.6178.8-0.8110.5
768S20.9Very low22.7Very low114 Ų114149.2 Ų149.280%0.79780%0.802SS**  trans-69.3128145.340.80000109
769S23.9Very low22.7Very low96 Ų96152.9 Ų152.967%0.67181%0.812SS**  trans-171.4101.8148.752.70000110.5
770S23.1Very low22.8Very low106 Ų106146.3 Ų146.374%0.74180%0.801SS**  trans48.6109132.261.30000120.2
771S24Very low22.8Very low116 Ų116146.8 Ų146.881%0.81180%0.804SS**  -154.489.1123.246.90000109.6L773S771-L773 PolarHBondContact O-N 3.45Å
772T21.8Very low23Very low137 Ų137146.6 Ų146.684%0.8480%0.803SS**  trans-70.6111.2164.943.60000109
773L22.1Very low23.2Very low171 Ų171145.9 Ų145.990%0.89580%0.804SS**  trans-98.4103.7155-100.1109.1000108.6S771S771-L773 PolarHBondContact O-N 3.45Å
774S22.8Very low23.5Very low98 Ų98141 Ų14169%0.68580%0.797SS**  trans-67122.6172.449.50000111.8
775L22.5Very low23.9Very low178 Ų178140 Ų14093%0.93279%0.793SS**  trans-130.376.2153.7-96.3154000107.5
776T21.4Very low24.5Very low120 Ų120139.9 Ų139.974%0.73679%0.789SS**  trans-73.2127.4161.538.80000108.7
777K22Very low25.3Very low194 Ų194135.9 Ų135.984%0.84377%0.773SS**  trans-165.598.8143.7-108.1166.5-173.7-1770111.8
778N23.8Very low26.2Very low146 Ų146129.6 Ų129.678%0.78176%0.762SS**  trans62.883.9134.5-58.8-2.9000119.1S780N778-S780 PolarHBondContact O-N 2.87Å
779F21.6Very low27.1Very low214 Ų214130.2 Ų130.294%0.93975%0.754SS**  trans-73.4101.6146.2-93.6-89.4000109.1T781F779-T781 PolarHBondContact O-N 3.35Å
780S25.2Very low28.1Very low102 Ų102129.1 Ų129.171%0.71374%0.744SS**  trans-80.5110.3164.453.30000109.1N778 I782N778-S780 PolarHBondContact O-N 2.87Å; S780-I782 PolarHBondContact O-N 2.89Å
781T23.9Very low29.2Very low127 Ų127129.1 Ų129.178%0.77974%0.735SS**  trans-58.7113169.644.10000111.3F779F779-T781 PolarHBondContact O-N 3.35Å
782I25.8Very low30.1Very low163 Ų163125.8 Ų125.884%0.83672%0.718SS**  trans-105106.1162.5-63.1177000107.3S780S780-I782 PolarHBondContact O-N 2.89Å
783T26.6Very low31.4Very low124 Ų124124.2 Ų124.276%0.76170%0.704SS**  trans-83.7105.1-179.450.40000110
784S29.1Very low32.7Very low112 Ų112123.7 Ų123.778%0.78370%0.695SS**  trans-95.6109.1164.558.60000109.2
785N30.8Very low34.4Very low136 Ų136124.7 Ų124.773%0.72769%0.692SS**  trans-59.5122.9-169.4-115.5-30.7000113.1S787N785-S787 VanDerWaalsContact C-N 3.26Å; N785-S787 PolarHBondContact O-N 3.45Å; N785-S787 VanDerWaalsContact O-N 3.16Å
786P36.3Very low36.3Very low90 Ų90119.2 Ų119.258%0.58467%0.669SS**THydrogen-bonded Turntrans-78.69.6-172.130.3-34.5000115.7T790P786-T790 PolarHBondContact O-OG1 3.49Å
787S41.3Very low38.3Very low63 Ų63117.3 Ų117.344%0.44166%0.657SS.*Hα-helixtrans-74.3-27.8-178.951.20000113.7N785 T790 I791N785-S787 VanDerWaalsContact C-N 3.26Å; N785-S787 PolarHBondContact O-N 3.45Å; N785-S787 VanDerWaalsContact O-N 3.16Å; S787-T790 WeakPolarHBondContact CA-OG1 3.24Å; S787-T790 PolarHBondContact O-OG1 2.94Å; S787-T790 VanDerWaalsContact O-OG1 3.11Å; S787-I791 WeakPolarHBondContact O-CD1 3.2Å; S787-I791 VanDerWaalsContact O-CG1 3.3Å; S787-I791 WeakPolarHBondContact O-CG1 3.39Å; S787-I791 PolarHBondContact O-N 2.93Å
788V40.3Very low40.4Very low115 Ų115110.6 Ų110.670%0.69764%0.637SS**Hα-helixtrans-76.8-35.5-176.7-177.30000111.9G792V788-G792 PolarHBondContact O-N 3.29Å
789I40.8Very low42.6Very low126 Ų126109.3 Ų109.365%0.64663%0.63SS**Hα-helixtrans-76.2-34.2-178.4-60.1174.1000111L793I789-L793 HydrophobicContact CG2-CD1 4.15Å; I789-L793 PolarHBondContact O-N 3.42Å
790T44.5Very low44.7Very low73 Ų73103.3 Ų103.345%0.44861%0.611SS.*Hα-helixtrans-68.7-40.617839.70000112.3P786 S787 G792 L793 F794P786-T790 PolarHBondContact O-OG1 3.49Å; S787-T790 WeakPolarHBondContact CA-OG1 3.24Å; S787-T790 PolarHBondContact O-OG1 2.94Å; S787-T790 VanDerWaalsContact O-OG1 3.11Å; T790-G792 PolarHBondContact O-N 3.39Å; T790-L793 PolarHBondContact O-N 3.2Å; T790-F794 WeakPolarHBondContact O-CD2 3.45Å; T790-F794 PolarHBondContact O-N 3.33Å
791I47Very low46.6Very low107 Ų107102 Ų10255%0.54960%0.599SS.*Hα-helixtrans-65-39.8178.5-64.4166000111.6S787 F794 L795S787-I791 WeakPolarHBondContact O-CD1 3.2Å; S787-I791 VanDerWaalsContact O-CG1 3.3Å; S787-I791 WeakPolarHBondContact O-CG1 3.39Å; S787-I791 PolarHBondContact O-N 2.93Å; I791-F794 PolarHBondContact O-N 2.79Å; I791-L795 HydrophobicContact CG2-CD1 4Å; I791-L795 WeakPolarHBondContact O-CG 3.46Å; I791-L795 PolarHBondContact O-N 2.03Å; I791-L795 VanDerWaalsContact O-N 3.13Å
792G41.6Very low48.9Very low45 Ų45102.1 Ų102.146%0.46459%0.592SS.*Hα-helixtrans-64.6-40.9177.800000113.4V788 T790 S796V788-G792 PolarHBondContact O-N 3.29Å; T790-G792 PolarHBondContact O-N 3.39Å; G792-S796 PolarHBondContact O-N 2.83Å
793L49.4Very low51Low105 Ų10598.2 Ų98.255%0.5557%0.572SS.*Hα-helixtrans-67.2-43.6176.8-97.8148.3000112.1I789 T790 L795 S796 V797I789-L793 HydrophobicContact CG2-CD1 4.15Å; I789-L793 PolarHBondContact O-N 3.42Å; T790-L793 PolarHBondContact O-N 3.2Å; L793-L795 VanDerWaalsContact C-N 3.35Å; L793-L795 PolarHBondContact O-N 3.45Å; L793-S796 PolarHBondContact O-N 3.15Å; L793-S796 PolarHBondContact O-OG 3.36Å; L793-S796 VanDerWaalsContact O-OG 3.11Å; L793-V797 WeakPolarHBondContact O-CG2 3.25Å; L793-V797 PolarHBondContact O-N 2.9Å
794F51.1Low53.1Low160 Ų16096 Ų9670%0.70256%0.562SS**Hα-helixtrans-61.8-39.6177.5-95.4-79.2000112.8T790 I791 S796 A798T790-F794 WeakPolarHBondContact O-CD2 3.45Å; T790-F794 PolarHBondContact O-N 3.33Å; I791-F794 PolarHBondContact O-N 2.79Å; F794-S796 PolarHBondContact O-N 2.91Å; F794-A798 WeakPolarHBondContact O-CB 3.45Å; F794-A798 PolarHBondContact O-N 3.21Å
795L58.4Low54.8Low118 Ų11895.8 Ų95.862%0.61855%0.549SS*.Hα-helixtrans-65.6-37.2177.1-77.9163.8000112.4I791 L793 L799I791-L795 HydrophobicContact CG2-CD1 4Å; I791-L795 WeakPolarHBondContact O-CG 3.46Å; I791-L795 PolarHBondContact O-N 2.03Å; I791-L795 VanDerWaalsContact O-N 3.13Å; L793-L795 VanDerWaalsContact C-N 3.35Å; L793-L795 PolarHBondContact O-N 3.45Å; L795-L799 WeakPolarHBondContact O-CB 3.14Å; L795-L799 PolarHBondContact O-N 2.95Å; L795-L799 VanDerWaalsContact O-N 3.11Å
796S61.2Low56.7Low64 Ų6494.4 Ų94.445%0.44854%0.541SS..Hα-helixtrans-71.6-37.3179.685.10000113.1G792 L793 F794 T800G792-S796 PolarHBondContact O-N 2.83Å; L793-S796 PolarHBondContact O-N 3.15Å; L793-S796 PolarHBondContact O-OG 3.36Å; L793-S796 VanDerWaalsContact O-OG 3.11Å; F794-S796 PolarHBondContact O-N 2.91Å; S796-T800 WeakPolarHBondContact O-CG2 3.28Å; S796-T800 PolarHBondContact O-N 3.45Å; S796-T800 PolarHBondContact O-OG1 2.93Å
797V64.3Low58Low80 Ų8094.7 Ų94.749%0.48554%0.537SS..Hα-helixtrans-72.7-38.2178178.10000110.7L793 T800 T801L793-V797 WeakPolarHBondContact O-CG2 3.25Å; L793-V797 PolarHBondContact O-N 2.9Å; V797-T800 WeakPolarHBondContact CA-OG1 3.46Å; V797-T800 PolarHBondContact O-OG1 3.39Å; V797-T801 HydrophobicContact CG1-CG2 4.49Å; V797-T801 WeakPolarHBondContact O-CB 3.49Å; V797-T801 WeakPolarHBondContact O-CG2 3.5Å; V797-T801 PolarHBondContact O-N 3Å; V797-T801 VanDerWaalsContact O-N 3.12Å; V797-T801 PolarHBondContact O-OG1 3.1Å
798A64.6Low58.9Low52 Ų5296.2 Ų96.243%0.4354%0.54SS..Hα-helixtrans-64.1-41.117500000112.1F794 T801 M802F794-A798 WeakPolarHBondContact O-CB 3.45Å; F794-A798 PolarHBondContact O-N 3.21Å; A798-T801 PolarHBondContact O-OG1 3.34Å; A798-M802 WeakPolarHBondContact O-CB 3.31Å; A798-M802 VanDerWaalsContact O-CG 3.28Å; A798-M802 WeakPolarHBondContact O-CG 3.4Å; A798-M802 PolarHBondContact O-N 3.36Å; A798-M802 VanDerWaalsContact O-N 3.15Å
799L70.3Confident59.6Low119 Ų11995.2 Ų95.262%0.62353%0.53SS*.Hα-helixtrans-67.8-40.5-179.8-153.882.5000112.3L795 I803L795-L799 WeakPolarHBondContact O-CB 3.14Å; L795-L799 PolarHBondContact O-N 2.95Å; L795-L799 VanDerWaalsContact O-N 3.11Å; L799-I803 WeakPolarHBondContact O-CG1 3.28Å; L799-I803 PolarHBondContact O-N 3.13Å
800T67.3Low60.6Low88 Ų8892.4 Ų92.454%0.5452%0.518SS..Hα-helixtrans-71-37.6-178.847.60000112.7S796 V797 I803 S804S796-T800 WeakPolarHBondContact O-CG2 3.28Å; S796-T800 PolarHBondContact O-N 3.45Å; S796-T800 PolarHBondContact O-OG1 2.93Å; V797-T800 WeakPolarHBondContact CA-OG1 3.46Å; V797-T800 PolarHBondContact O-OG1 3.39Å; T800-I803 PolarHBondContact O-N 2.99Å; T800-S804 PolarHBondContact O-N 3.39Å; T800-S804 VanDerWaalsContact O-N 3.15Å
801T64.5Low60.9Low75 Ų7593.3 Ų93.346%0.4652%0.52SS..Hα-helixtrans-67.8-38.9175.150.20000112.3V797 A798 S804 M805V797-T801 HydrophobicContact CG1-CG2 4.49Å; V797-T801 WeakPolarHBondContact O-CB 3.49Å; V797-T801 WeakPolarHBondContact O-CG2 3.5Å; V797-T801 PolarHBondContact O-N 3Å; V797-T801 VanDerWaalsContact O-N 3.12Å; V797-T801 PolarHBondContact O-OG1 3.1Å; A798-T801 PolarHBondContact O-OG1 3.34Å; T801-S804 PolarHBondContact O-N 3.12Å; T801-M805 WeakPolarHBondContact O-CG 3.32Å; T801-M805 PolarHBondContact O-N 3.43Å; T801-M805 VanDerWaalsContact O-N 3.07Å
802M71Confident61.1Low129 Ų12992.4 Ų92.464%0.63552%0.515SS*.Hα-helixtrans-61.9-43.7174.4-76.9-69.2-155.100112.8A798 S804 M805 I806A798-M802 WeakPolarHBondContact O-CB 3.31Å; A798-M802 VanDerWaalsContact O-CG 3.28Å; A798-M802 WeakPolarHBondContact O-CG 3.4Å; A798-M802 PolarHBondContact O-N 3.36Å; A798-M802 VanDerWaalsContact O-N 3.15Å; M802-S804 VanDerWaalsContact C-N 3.34Å; M802-S804 PolarHBondContact O-N 2.66Å; M802-M805 PolarHBondContact O-N 3.31Å; M802-I806 WeakPolarHBondContact O-CG1 3.22Å; M802-I806 PolarHBondContact O-N 3.43Å
803I71.5Confident61.4Low82 Ų8294.2 Ų94.242%0.42152%0.517SS..Hα-helixtrans-64.4-40.6178.2-66.7165.4000111L799 T800 I806 L807L799-I803 WeakPolarHBondContact O-CG1 3.28Å; L799-I803 PolarHBondContact O-N 3.13Å; T800-I803 PolarHBondContact O-N 2.99Å; I803-I806 PolarHBondContact O-N 3.3Å; I803-L807 HydrophobicContact CG2-CD1 4.2Å; I803-L807 PolarHBondContact O-N 2.89Å
804S70Confident61.3Low78 Ų7894.3 Ų94.355%0.54552%0.518SS..Hα-helixtrans-62.9-41.5177.5-171.10000112.4T800 T801 M802 L807 L808T800-S804 PolarHBondContact O-N 3.39Å; T800-S804 VanDerWaalsContact O-N 3.15Å; T801-S804 PolarHBondContact O-N 3.12Å; M802-S804 VanDerWaalsContact C-N 3.34Å; M802-S804 PolarHBondContact O-N 2.66Å; S804-L807 PolarHBondContact O-N 2.7Å; S804-L808 PolarHBondContact O-N 2.88Å
805M64.6Low60.8Low106 Ų10691.5 Ų91.552%0.52252%0.516SS..Hα-helixtrans-65.5-40.1177.9-74.2-66.7-7400112.9T801 M802 L807 L808 I809T801-M805 WeakPolarHBondContact O-CG 3.32Å; T801-M805 PolarHBondContact O-N 3.43Å; T801-M805 VanDerWaalsContact O-N 3.07Å; M802-M805 PolarHBondContact O-N 3.31Å; M805-L807 VanDerWaalsContact C-N 3.33Å; M805-L807 PolarHBondContact O-N 2.9Å; M805-L808 PolarHBondContact O-N 3.03Å; M805-I809 WeakPolarHBondContact O-CG1 3.45Å; M805-I809 PolarHBondContact O-N 3.39Å
806I70.4Confident59.9Low107 Ų10791.7 Ų91.755%0.54952%0.517SS..Hα-helixtrans-64.5-39.7177.3-66.1165.7000110.9M802 I803 I809 T810M802-I806 WeakPolarHBondContact O-CG1 3.22Å; M802-I806 PolarHBondContact O-N 3.43Å; I803-I806 PolarHBondContact O-N 3.3Å; I806-I809 PolarHBondContact O-N 3.2Å; I806-T810 WeakPolarHBondContact O-CG2 3.35Å; I806-T810 PolarHBondContact O-N 3.15Å; I806-T810 VanDerWaalsContact O-N 3.07Å; I806-T810 PolarHBondContact O-OG1 2.74Å
807L63.8Low58.9Low96 Ų9698.1 Ų98.150%0.50353%0.533SS..Hα-helixtrans-64.8-37.7175.4-75.4166.5000112.3I803 S804 M805 T810 L811I803-L807 HydrophobicContact CG2-CD1 4.2Å; I803-L807 PolarHBondContact O-N 2.89Å; S804-L807 PolarHBondContact O-N 2.7Å; M805-L807 VanDerWaalsContact C-N 3.33Å; M805-L807 PolarHBondContact O-N 2.9Å; L807-T810 WeakPolarHBondContact CA-OG1 2.84Å; L807-T810 PolarHBondContact O-OG1 3.19Å; L807-L811 WeakPolarHBondContact O-CB 3.27Å; L807-L811 PolarHBondContact O-N 3.4Å; L807-L811 VanDerWaalsContact O-N 3.12Å
808L59.5Low57.8Low95 Ų95103.4 Ų103.450%0.49754%0.544SS..Hα-helixtrans-68.6-43.7177.7-17170.9000112S804 M805 L811 I812S804-L808 PolarHBondContact O-N 2.88Å; M805-L808 PolarHBondContact O-N 3.03Å; L808-L811 WeakPolarHBondContact O-CB 3.13Å; L808-L811 PolarHBondContact O-N 3.48Å; L808-I812 HydrophobicContact CG-CD1 4.21Å; L808-I812 WeakPolarHBondContact O-CG1 3.34Å; L808-I812 PolarHBondContact O-N 3.47Å
809I56.9Low56.6Low95 Ų95109 Ų10949%0.48756%0.558SS.*Hα-helixtrans-63.9-43.4179.1-66.9166.8000110.5M805 I806 L811 I812 V813M805-I809 WeakPolarHBondContact O-CG1 3.45Å; M805-I809 PolarHBondContact O-N 3.39Å; I806-I809 PolarHBondContact O-N 3.2Å; I809-L811 VanDerWaalsContact C-N 3.33Å; I809-L811 PolarHBondContact O-N 3.39Å; I809-I812 PolarHBondContact O-N 2.84Å; I809-V813 HydrophobicContact CG2-CG2 4.38Å; I809-V813 WeakPolarHBondContact O-CG2 3.24Å; I809-V813 PolarHBondContact O-N 3.23Å
810T60.8Low55.3Low67 Ų67110.6 Ų110.641%0.41156%0.563SS.*Hα-helixtrans-63.2-37.9177.145.50000112.3I806 L807 V813 L814I806-T810 WeakPolarHBondContact O-CG2 3.35Å; I806-T810 PolarHBondContact O-N 3.15Å; I806-T810 VanDerWaalsContact O-N 3.07Å; I806-T810 PolarHBondContact O-OG1 2.74Å; L807-T810 WeakPolarHBondContact CA-OG1 2.84Å; L807-T810 PolarHBondContact O-OG1 3.19Å; T810-V813 PolarHBondContact O-N 3.46Å; T810-L814 WeakPolarHBondContact O-CB 3.34Å; T810-L814 WeakPolarHBondContact O-CD1 3.32Å; T810-L814 WeakPolarHBondContact O-CG 3.46Å; T810-L814 PolarHBondContact O-N 3.4Å
811L51.2Low54.1Low91 Ų91117.2 Ų117.248%0.47658%0.578SS.*Hα-helixtrans-61.6-44.4172.4-104.9154.2000112.7L807 L808 I809 L814 C815L807-L811 WeakPolarHBondContact O-CB 3.27Å; L807-L811 PolarHBondContact O-N 3.4Å; L807-L811 VanDerWaalsContact O-N 3.12Å; L808-L811 WeakPolarHBondContact O-CB 3.13Å; L808-L811 PolarHBondContact O-N 3.48Å; I809-L811 VanDerWaalsContact C-N 3.33Å; I809-L811 PolarHBondContact O-N 3.39Å; L811-L814 PolarHBondContact O-N 3.38Å; L811-C815 WeakPolarHBondContact O-CB 3.34Å; L811-C815 PolarHBondContact O-N 2.97Å; L811-C815 PolarHBondContact O-SG 3.44Å
812I50.6Low52.9Low89 Ų89122.5 Ų122.546%0.45659%0.589SS.*Hα-helixtrans-65.4-45178.6-67.3166.7000110.5L808 I809 L814 C815 I816L808-I812 HydrophobicContact CG-CD1 4.21Å; L808-I812 WeakPolarHBondContact O-CG1 3.34Å; L808-I812 PolarHBondContact O-N 3.47Å; I809-I812 PolarHBondContact O-N 2.84Å; I812-L814 PolarHBondContact O-N 2.87Å; I812-C815 PolarHBondContact O-N 3.17Å; I812-I816 HydrophobicContact CG2-CD1 3.67Å; I812-I816 HydrophobicContact CG2-CG1 4.44Å; I812-I816 VanDerWaalsContact O-CG1 3.26Å; I812-I816 WeakPolarHBondContact O-CG1 3.49Å; I812-I816 PolarHBondContact O-N 2.81Å
813V47.3Very low51.2Low82 Ų82125.3 Ų125.350%0.49759%0.593SS.*Hα-helixtrans-63.1-43.8178.4173.70000111I809 T810 C815 I816 Y817I809-V813 HydrophobicContact CG2-CG2 4.38Å; I809-V813 WeakPolarHBondContact O-CG2 3.24Å; I809-V813 PolarHBondContact O-N 3.23Å; T810-V813 PolarHBondContact O-N 3.46Å; V813-C815 PolarHBondContact O-N 3.07Å; V813-I816 PolarHBondContact O-N 2.92Å; V813-Y817 WeakPolarHBondContact O-CB 3.44Å; V813-Y817 PolarHBondContact O-N 3.32Å
814L48.4Very low49.6Very low108 Ų108129 Ų12957%0.56561%0.606SS**Hα-helixtrans-64.3-37.7176.4-79.3163.3000112.5T810 L811 I812 R818T810-L814 WeakPolarHBondContact O-CB 3.34Å; T810-L814 WeakPolarHBondContact O-CD1 3.32Å; T810-L814 WeakPolarHBondContact O-CG 3.46Å; T810-L814 PolarHBondContact O-N 3.4Å; L811-L814 PolarHBondContact O-N 3.38Å; I812-L814 PolarHBondContact O-N 2.87Å; L814-R818 WeakPolarHBondContact O-CB 3.4Å; L814-R818 PolarHBondContact O-N 2.92Å
815C41.1Very low48.2Very low100 Ų100131.1 Ų131.168%0.67661%0.61SS**Hα-helixtrans-67.5-36.5175.4-78.80000112.5L811 I812 V813L811-C815 WeakPolarHBondContact O-CB 3.34Å; L811-C815 PolarHBondContact O-N 2.97Å; L811-C815 PolarHBondContact O-SG 3.44Å; I812-C815 PolarHBondContact O-N 3.17Å; V813-C815 PolarHBondContact O-N 3.07Å
816I39.6Very low46.7Very low123 Ų123130.6 Ų130.663%0.63161%0.609SS**Hα-helixtrans-73.5-35.9178.7-68168.6000111.3I812 V813I812-I816 HydrophobicContact CG2-CD1 3.67Å; I812-I816 HydrophobicContact CG2-CG1 4.44Å; I812-I816 VanDerWaalsContact O-CG1 3.26Å; I812-I816 WeakPolarHBondContact O-CG1 3.49Å; I812-I816 PolarHBondContact O-N 2.81Å; V813-I816 PolarHBondContact O-N 2.92Å
817Y39.4Very low44.9Very low199 Ų199132.3 Ų132.378%0.7861%0.614SS**Hα-helixtrans-80.8-20.8-172.6-127.4-92.7000114.7V813 K819V813-Y817 WeakPolarHBondContact O-CB 3.44Å; V813-Y817 PolarHBondContact O-N 3.32Å; Y817-K819 PolarHBondContact O-N 3.46Å
818R40.6Very low43.5Very low190 Ų190135.1 Ų135.172%0.71762%0.623SS**SBendtrans-87.67.5-159-140.5176.6176.4163-0.5118.3L814L814-R818 WeakPolarHBondContact O-CB 3.4Å; L814-R818 PolarHBondContact O-N 2.92Å
819K40.5Very low42.3Very low169 Ų169137.3 Ų137.374%0.73563%0.628SS**  trans-162.680.4174.6-112152-170.6-176.40116.5Y817 R821Y817-K819 PolarHBondContact O-N 3.46Å; K819-R821 VanDerWaalsContact C-N 3.29Å; K819-R821 PolarHBondContact O-N 3.04Å
820E43.2Very low41.1Very low153 Ų153138.1 Ų138.172%0.71563%0.632SS**Hα-helixtrans-58.3-32.5175.8-164.6179.7169.300114.2R822 R823E820-R822 VanDerWaalsContact C-N 3.31Å; E820-R822 PolarHBondContact O-N 2.89Å; E820-R823 PolarHBondContact O-N 3.48Å
821R41.8Very low39.8Very low228 Ų228139.2 Ų139.286%0.8664%0.643SS**Hα-helixtrans-66.4-24.4-174.7-131.1175-174.11751.1114.4K819K819-R821 VanDerWaalsContact C-N 3.29Å; K819-R821 PolarHBondContact O-N 3.04Å
822R38.5Very low39Very low185 Ų185142 Ų14270%0.69865%0.653SS**Hα-helixtrans-83.4-22177.7-86.6-173.9175.5-179.9-1.1113.7E820 I826E820-R822 VanDerWaalsContact C-N 3.31Å; E820-R822 PolarHBondContact O-N 2.89Å; R822-I826 HydrophobicContact CB-CD1 4.47Å; R822-I826 WeakPolarHBondContact O-CG1 3.43Å; R822-I826 PolarHBondContact O-N 2.94Å
823R36.5Very low38.1Very low188 Ų188142.9 Ų142.971%0.70966%0.659SS**Hα-helixtrans-62.5-47.3179.4-109.9-175.1-178.5-166.20.9112.4E820 L825 I826 Q827E820-R823 PolarHBondContact O-N 3.48Å; R823-L825 PolarHBondContact O-N 2.87Å; R823-I826 PolarHBondContact O-N 3.11Å; R823-Q827 PolarHBondContact O-N 2.91Å
824K37.8Very low37.2Very low161 Ų161149.8 Ų149.870%0.768%0.676SS**Hα-helixtrans-69.1-31.6-175.6-69-175.6178.3176.10113.4K828K824-K828 PolarHBondContact O-N 3.2Å
825L39.1Very low36.4Very low121 Ų121149.4 Ų149.463%0.63468%0.68SS**Hα-helixtrans-76.9-35179.4-105140.4000112.9R823 K829R823-L825 PolarHBondContact O-N 2.87Å; L825-K829 PolarHBondContact O-N 3.29Å
826I33.9Very low35.9Very low95 Ų95151.6 Ų151.649%0.48769%0.685SS.*Hα-helixtrans-74.4-40.7179.4-66.2170.7000110.7R822 R823 K828 K829 I830R822-I826 HydrophobicContact CB-CD1 4.47Å; R822-I826 WeakPolarHBondContact O-CG1 3.43Å; R822-I826 PolarHBondContact O-N 2.94Å; R823-I826 PolarHBondContact O-N 3.11Å; I826-K828 VanDerWaalsContact C-N 3.33Å; I826-K828 PolarHBondContact O-N 2.94Å; I826-K829 PolarHBondContact O-N 2.92Å; I826-I830 HydrophobicContact CG2-CD1 3.45Å; I826-I830 VanDerWaalsContact CG2-CD1 3.45Å; I826-I830 HydrophobicContact CG2-CG1 4.16Å; I826-I830 WeakPolarHBondContact O-CB 3.26Å; I826-I830 VanDerWaalsContact O-CG1 3.28Å; I826-I830 WeakPolarHBondContact O-CG1 3.39Å; I826-I830 PolarHBondContact O-N 2.88Å
827Q31.7Very low35.3Very low143 Ų143151.1 Ų151.167%0.66868%0.682SS**Hα-helixtrans-61.6-39.1174.7-85.7179.6-33.800112.7R823 S831R823-Q827 PolarHBondContact O-N 2.91Å; Q827-S831 PolarHBondContact O-N 3.44Å
828K35.1Very low34.6Very low156 Ų156148.8 Ų148.868%0.67868%0.684SS**Hα-helixtrans-70.5-32.2179.7-139176.6-174-178.10113K824 I826K824-K828 PolarHBondContact O-N 3.2Å; I826-K828 VanDerWaalsContact C-N 3.33Å; I826-K828 PolarHBondContact O-N 2.94Å
829K34.3Very low33.9Very low141 Ų141148.7 Ų148.761%0.61369%0.691SS**Hα-helixtrans-79.4-34.1175.8-92.9-176.9172.7-177.60113.1L825 I826 Q832L825-K829 PolarHBondContact O-N 3.29Å; I826-K829 PolarHBondContact O-N 2.92Å; K829-Q832 PolarHBondContact O-N 2.9Å
830I32.3Very low33.1Very low111 Ų111151 Ų15157%0.56970%0.697SS**Hα-helixtrans-71.4-34179.2-69.1175.1000111.4I826 Q832I826-I830 HydrophobicContact CG2-CD1 3.45Å; I826-I830 VanDerWaalsContact CG2-CD1 3.45Å; I826-I830 HydrophobicContact CG2-CG1 4.16Å; I826-I830 WeakPolarHBondContact O-CB 3.26Å; I826-I830 VanDerWaalsContact O-CG1 3.28Å; I826-I830 WeakPolarHBondContact O-CG1 3.39Å; I826-I830 PolarHBondContact O-N 2.88Å; I830-Q832 VanDerWaalsContact C-N 3.28Å; I830-Q832 PolarHBondContact O-N 3.41Å
831S32.4Very low32.1Very low91 Ų91152.2 Ų152.264%0.63670%0.7SS**Hα-helixtrans-73.2-16.4176.884.80000114.2Q827Q827-S831 PolarHBondContact O-N 3.44Å
832Q35.7Very low31.3Very low148 Ų148148.3 Ų148.369%0.69270%0.696SS**Hα-helixtrans-92.1-21.4-178.4-80.3-175-31.200114.2K829 I830K829-Q832 PolarHBondContact O-N 2.9Å; I830-Q832 VanDerWaalsContact C-N 3.28Å; I830-Q832 PolarHBondContact O-N 3.41Å
833L31.3Very low30.5Very low109 Ų109148.5 Ų148.557%0.57170%0.702SS**Hα-helixtrans-104.4-4.3-170.3-94.3131000115.2
834W28.3Very low29.9Very low226 Ų226147.3 Ų147.386%0.85671%0.709SS**THydrogen-bonded Turntrans-69.4-28.3-175.9-160.2-106.5000116.4
835P31.4Very low29.1Very low101 Ų101147.3 Ų147.366%0.65672%0.716SS**THydrogen-bonded Turntrans-80.6-19.5-175.7-1631000116.1
836N30.4Very low28.3Very low145 Ų145151.3 Ų151.378%0.77573%0.729SS**SBendtrans-102.5-0.5-163.7-75.9-3000116.3
837I27.1Very low27.7Very low113 Ų113156.5 Ų156.558%0.57975%0.748SS**SBendtrans-94.8-18.1-176-64.1174.7000112.5Q839I837-Q839 VanDerWaalsContact C-N 3.3Å; I837-Q839 PolarHBondContact O-N 3.47Å
838N24.8Very low27.3Very low151 Ų151155.5 Ų155.581%0.80775%0.754SS**THydrogen-bonded Turntrans-80.53.7-170.9-115.16.1000116.2
839Q25.8Very low26.8Very low187 Ų187157.7 Ų157.787%0.87477%0.766SS**THydrogen-bonded Turntrans-112.5-7.8-177.9-135.2173.81.900115I837I837-Q839 VanDerWaalsContact C-N 3.3Å; I837-Q839 PolarHBondContact O-N 3.47Å
840Y23.8Very low26.3Very low218 Ų218160.2 Ų160.286%0.85578%0.778SS**SBendtrans-100-12.5-173.2-116.7-85.5000115.6
841F23.3Very low26Very low179 Ų179163.1 Ų163.179%0.78579%0.794SS**SBendtrans-102.7-3-170.9-100.6-82.9000116.1
842L23.3Very low25.5Very low146 Ų146167.7 Ų167.776%0.76480%0.803SS**SBendtrans-96.48.3-166.6-100.7168.4000117.5
843F23.3Very low24.9Very low189 Ų189167.7 Ų167.783%0.82981%0.807SS**SBendtrans-131.1-5.4-172.8-104.4-77.7000121.8
844N22.2Very low24.5Very low162 Ų162171.9 Ų171.987%0.86682%0.821SS**SBendtrans-132.321.3-170.9-82.2-28.7000118.5
845L21.4Very low24.1Very low161 Ų161170.7 Ų170.784%0.84383%0.827SS**SBendtrans-118.113.7175.5-82.7161.8000115.6
846F22.6Very low23.6Very low205 Ų205175.3 Ų175.390%0.89984%0.837SS**  trans-119.586.1173.1-68-73.5000111.9
847K21.4Very low23Very low205 Ų205173.7 Ų173.789%0.89184%0.837SS**  trans-135.4112.7147.8-100.5-174.8-179.6177.50109.9
848P23.9Very low22.7Very low122 Ų122174.8 Ų174.879%0.79285%0.849SS**  trans-93.1121.2-174.533.9-29000111
849E22.9Very low22.5Very low201 Ų201175.1 Ų175.194%0.93985%0.85SS**  trans-97108.1169-80.6-172.9161.200110.9
850K23.9Very low22.2Very low195 Ų195173.7 Ų173.785%0.84885%0.847SS**  trans-76.5128.6164.7-77.2173.5174.51720108.7
851N26.4Very low22.1Very low172 Ų172170.1 Ų170.192%0.9284%0.842SS**  trans-154.3111.7140.4-100.4-25.2000112.3
852K21.7Very low22Very low187 Ų187168 Ų16881%0.81384%0.839SS**  trans-78138.4167-69.4176.1171.5-179.90108.9
853N24.6Very low22Very low147 Ų147167.3 Ų167.379%0.78684%0.836SS**  155.1138.3122.5-80.2-26.5000113.9
854K22.7Very low22Very low197 Ų197165.9 Ų165.986%0.85784%0.835SS**  trans8682.1159.6-64.9172.6-178.2178.10118.5
855M19.4Very low22.2Very low202 Ų202163.3 Ų163.3100%0.99583%0.827SS**  trans-100.7110.1140-84.8-17217500108.1
856K20Very low22.2Very low197 Ų197161.7 Ų161.786%0.85782%0.823SS**  trans-105.2128.2166.4-95.5-172.5174.6-174.10108.2
857S18.7Very low22.2Very low112 Ų112159.1 Ų159.178%0.78382%0.819SS**  trans-53.8140.8168.243.30000112.6
858V20.2Very low22.2Very low135 Ų135156.4 Ų156.482%0.81881%0.813SS**  trans-138.6104.3153.4-179.20000107.6
859L20.4Very low22.2Very low159 Ų159155.9 Ų155.983%0.83280%0.802SS**  trans-75138.9158.4-160.9100000106.9
860L21Very low22.2Very low157 Ų157151.1 Ų151.182%0.82279%0.789SS**  trans-173.7119.1148.7-99.6152.2000110.9
861I21.5Very low22.2Very low143 Ų143151.3 Ų151.373%0.73379%0.785SS**  trans-83.1129.1159.9-66.6165000106.2
862D21.2Very low22.1Very low135 Ų135150 Ų15072%0.72277%0.773SS**  trans176.8124.5140.4-93-22.5000112.7
863N21.9Very low22.2Very low131 Ų131147.3 Ų147.370%0.70176%0.764SS**  trans52.3103.7145.9-67.2-33.6000123
864I25.1Very low22.1Very low158 Ų158145.8 Ų145.881%0.8176%0.755SS**  trans74147.6140.5-51.7167.6000115.8
865P25.2Very low22.1Very low108 Ų108145.8 Ų145.870%0.70175%0.749SS**  cis-128.5163.2-2.322.21.8000116.3N867P865-N867 PolarHBondContact O-N 3.5Å
866V21.7Very low22.2Very low127 Ų127141.5 Ų141.577%0.7773%0.729SS**  trans-8.8109.3149.7-170.80000116.4I868V866-I868 HydrophobicContact CG1-CG1 4.24Å
867N21.4Very low22.3Very low152 Ų152138.7 Ų138.781%0.81372%0.722SS**  trans-87.1107.1162.8-106.7-17.3000109.3P865 I869P865-N867 PolarHBondContact O-N 3.5Å; N867-I869 PolarHBondContact O-N 2.83Å
868I22.1Very low22.5Very low148 Ų148136.5 Ų136.576%0.75971%0.707SS**  trans-70.6102.8169.1-60.9170.2000106.7V866 P870V866-I868 HydrophobicContact CG1-CG1 4.24Å; I868-P870 WeakPolarHBondContact O-CD 3.34Å
869I23.7Very low22.6Very low110 Ų110137.3 Ų137.356%0.56470%0.702SS**  trans-77.8119.3177.5-61.2177.2000108.6N867 Q873N867-I869 PolarHBondContact O-N 2.83Å; I869-Q873 HydrophobicContact CG2-CB 4.11Å
870P23Very low22.6Very low102 Ų102136.7 Ų136.766%0.66270%0.699SS**  trans-67.1144.7-175.1-19.732.6000113.7I868 H872 Q873I868-P870 WeakPolarHBondContact O-CD 3.34Å; P870-H872 PolarHBondContact O-N 2.78Å; P870-Q873 PolarHBondContact O-N 3.48Å
871Y24.5Very low22.7Very low198 Ų198134.2 Ų134.278%0.77669%0.694SS**G310 helixtrans-34.3-27.1-175.7179.1-107.4000118.3Q873Y871-Q873 PolarHBondContact O-N 3.13Å
872H24.1Very low22.7Very low144 Ų144132.3 Ų132.367%0.66768%0.682SS**G310 helixtrans-77.9-11.9-177-102.4-80.4000115.8P870P870-H872 PolarHBondContact O-N 2.78Å
873Q23.2Very low22.8Very low131 Ų131131.4 Ų131.461%0.61268%0.677SS**G310 helixtrans-89.1-13.6174.3-75.1-168.6-22.200114.6I869 P870 Y871 R875I869-Q873 HydrophobicContact CG2-CB 4.11Å; P870-Q873 PolarHBondContact O-N 3.48Å; Y871-Q873 PolarHBondContact O-N 3.13Å; Q873-R875 VanDerWaalsContact C-N 3.27Å; Q873-R875 PolarHBondContact O-N 3.02Å
874I23.5Very low22.8Very low116 Ų116132.1 Ų132.160%0.59567%0.67SS**Hα-helixtrans-71.7-23.9177.2-64.1175.4000111.5I876I874-I876 VanDerWaalsContact C-N 3.28Å; I874-I876 PolarHBondContact O-N 3.26Å
875R22.4Very low22.6Very low196 Ų196129.4 Ų129.474%0.7466%0.664SS**Hα-helixtrans-70.1-19.6-176.9-153.7175.9-174.2-174.51.4114.2Q873Q873-R875 VanDerWaalsContact C-N 3.27Å; Q873-R875 PolarHBondContact O-N 3.02Å
876I22Very low22.5Very low113 Ų113127.1 Ų127.158%0.57966%0.66SS**Hα-helixtrans-87.7-27.9-176.7-61.8178.3000111.9I874I874-I876 VanDerWaalsContact C-N 3.28Å; I874-I876 PolarHBondContact O-N 3.26Å
877I21.7Very low22.6Very low137 Ų137126.4 Ų126.470%0.70366%0.661SS**Hα-helixtrans-79.5-26.5-176.8-61.1177000111.6Q879I877-Q879 VanDerWaalsContact C-N 3.27Å; I877-Q879 PolarHBondContact O-N 3.49Å
878S22.9Very low22.5Very low67 Ų67125.8 Ų125.847%0.46966%0.663SS.*THydrogen-bonded Turntrans-69-17.4176.2171.10000114.5
879Q22.3Very low22.5Very low152 Ų152129.1 Ų129.171%0.7167%0.667SS**THydrogen-bonded Turntrans-91.3-4.5-178.1-77.7-173.5-42.800114I877I877-Q879 VanDerWaalsContact C-N 3.27Å; I877-Q879 PolarHBondContact O-N 3.49Å
880L20.7Very low22.3Very low146 Ų146132.4 Ų132.476%0.76468%0.683SS**SBendtrans-107.51.1-171.1-75.9166.4000115.3
881S22.9Very low22.3Very low104 Ų104132.8 Ų132.873%0.72769%0.694SS**SBendtrans-96.9-2.6178.158.10000115.3
882E21.9Very low22Very low103 Ų103132.9 Ų132.948%0.48170%0.699SS.*SBendtrans-90-3.3-163.2-82.5177.7-175.100117.7N388N388-E882 VanDerWaalsContact O-OE1 3.07Å
883N22.2Very low21.9Very low116 Ų116132.3 Ų132.362%0.6270%0.7SS**  trans-139.273.9-168.5-72.6-45.8000114.5
884R21.9Very low21.9Very low146 Ų146136 Ų13655%0.55171%0.714SS**  trans-153.1102165.6-64.5-171.2-171.7162.29.1112.4
885C22.6Very low21.7Very low102 Ų102137.3 Ų137.369%0.68972%0.722SS**  trans-173.5129.2134.8-980000111
886G22.4Very low21.6Very low59 Ų59138.5 Ų138.561%0.60873%0.728SS**  trans-136.7171.4171.800000110.6
887S22.8Very low21.6Very low113 Ų113140.6 Ų140.679%0.7974%0.74SS**  trans-178.2119.3139.539.40000113Y889S887-Y889 PolarHBondContact O-N 3.23Å
888T20.8Very low21.6Very low138 Ų138141.3 Ų141.385%0.84775%0.745SS**  trans-50.8110.8150.240.50000111.6
889Y21.1Very low21.6Very low218 Ų218143.6 Ų143.686%0.85576%0.758SS**  trans-159.521156.7-134.9-90.8000116.6S887S887-Y889 PolarHBondContact O-N 3.23Å
890M20.1Very low21.5Very low180 Ų180142.7 Ų142.789%0.88776%0.763SS**  trans-1183.6180-77-64.6-179.700116.8K892M890-K892 VanDerWaalsContact C-N 3.33Å; M890-K892 PolarHBondContact O-N 3.34Å; M890-K892 VanDerWaalsContact O-N 3.13Å
891A21.9Very low21.5Very low109 Ų109141.4 Ų141.490%0.90176%0.764SS**  trans-88.645.7-178.700000114.5
892K19.9Very low21.4Very low201 Ų201142 Ų14287%0.87477%0.768SS**SBendtrans-134.127.6179.5-133-176.7-172-177.90116.5M890M890-K892 VanDerWaalsContact C-N 3.33Å; M890-K892 PolarHBondContact O-N 3.34Å; M890-K892 VanDerWaalsContact O-N 3.13Å
893L20.5Very low21.4Very low132 Ų132143.3 Ų143.369%0.69178%0.782SS**  trans-140.132.4-172-108.7157000116.5
894F22.7Very low21.3Very low208 Ų208146.4 Ų146.491%0.91280%0.795SS**  trans-143.382.3169.1-68.9-73.9000112.1
895N20Very low21.1Very low143 Ų143148.2 Ų148.277%0.76581%0.812SS**  trans-149.176.2160.7-132.47.3000108.9
896Y21Very low21Very low222 Ų222149 Ų14987%0.87182%0.815SS**  trans-142.5100.8162.6-89-74.4000109.3L898Y896-L898 PolarHBondContact O-N 2.9Å; Y896-L898 VanDerWaalsContact O-N 3.16Å
897N21.4Very low20.9Very low156 Ų156150.8 Ų150.883%0.83482%0.818SS**  trans-56109.6166.8-69.2-30.9000109.1
898L22.5Very low20.8Very low152 Ų152155.5 Ų155.580%0.79682%0.824SS**PPolyproline II helixtrans-95125.3163.5-111.189.4000108.8Y896Y896-L898 PolarHBondContact O-N 2.9Å; Y896-L898 VanDerWaalsContact O-N 3.16Å
899P22.5Very low20.7Very low115 Ų115154.4 Ų154.475%0.74782%0.822SS**PPolyproline II helixtrans-71.7138.3177.829.3-31.7000110.8P901P899-P901 WeakPolarHBondContact O-CD 3.38Å
900T20Very low20.7Very low133 Ų133155.5 Ų155.582%0.81683%0.825SS**PPolyproline II helixtrans-58.4121.3179.148.20000113.4
901P20.4Very low20.8Very low119 Ų119152 Ų15277%0.77382%0.818SS**  trans-85.8112.2155.26.912.1000108.3P899 V903P899-P901 WeakPolarHBondContact O-CD 3.38Å; P901-V903 PolarHBondContact O-N 3.41Å; P901-V903 VanDerWaalsContact O-N 3.09Å
902S20.9Very low20.8Very low116 Ų116155.8 Ų155.881%0.81182%0.816SS**  trans-53.4100.8171.251.60000112.7
903V21.6Very low20.9Very low131 Ų131153.1 Ų153.179%0.79481%0.812SS**  trans-141.7122151.1-1780000107.4P901 M905P901-V903 PolarHBondContact O-N 3.41Å; P901-V903 VanDerWaalsContact O-N 3.09Å; V903-M905 PolarHBondContact O-N 3.23Å
904M19.6Very low20.9Very low181 Ų181150.2 Ų150.289%0.89280%0.803SS**  trans-47.5102174.3-72.7173.5171.900111.6
905M19.2Very low20.9Very low184 Ų184142.4 Ų142.491%0.90678%0.78SS**  trans-121.585.7150.7-89.6-166.8175.100107.2V903 S907V903-M905 PolarHBondContact O-N 3.23Å; M905-S907 PolarHBondContact O-N 2.85Å
906T19.8Very low21.1Very low120 Ų120139.1 Ų139.174%0.73677%0.766SS**  trans-57.5129.2165.445.20000109.8
907S19.9Very low21.3Very low96 Ų96135 Ų13567%0.67176%0.757SS**SBendtrans60.672.9154.668.70000118.8M905M905-S907 PolarHBondContact O-N 2.85Å
908F20.6Very low21.4Very low211 Ų211131.2 Ų131.293%0.92573%0.732SS**  trans-147.264.7147.7-84.1-74.6000110.9
909S19.9Very low21.4Very low115 Ų115127.1 Ų127.180%0.80472%0.716SS**  trans-115.760.2163.267.50000109.4
910R20.1Very low21.4Very low241 Ų241127.3 Ų127.391%0.90971%0.71SS**  trans-93.189.9157.9-79.7-172.9179-179.10.1106.2H912R910-H912 PolarHBondContact O-N 3.4Å
911S21.9Very low21.6Very low106 Ų106126.7 Ų126.774%0.74170%0.696SS**  trans-45.7125.8168.745.90000109.8D913S911-D913 PolarHBondContact O-N 3.21Å; S911-D913 VanDerWaalsContact O-N 3.16Å
912H21.7Very low21.6Very low189 Ų189127 Ų12788%0.87569%0.691SS**  trans-44.8107.4-175.6-66.3-86.8000113.8R910 S914R910-H912 PolarHBondContact O-N 3.4Å; H912-S914 PolarHBondContact O-N 3.45Å
913D21.6Very low21.7Very low146 Ų146127 Ų12778%0.78168%0.681SS**  trans-59128161.5-93.9-36.9000109.2S911 G915S911-D913 PolarHBondContact O-N 3.21Å; S911-D913 VanDerWaalsContact O-N 3.16Å; D913-G915 PolarHBondContact O-N 2.68Å
914S22.4Very low21.8Very low71 Ų71123.3 Ų123.350%0.49767%0.669SS.*SBendtrans-65.330.9175.747.90000114H912H912-S914 PolarHBondContact O-N 3.45Å
915G22.8Very low22Very low43 Ų43120.5 Ų120.544%0.44366%0.664SS.*  trans-93.56.5-17400000116.2D913 Y918D913-G915 PolarHBondContact O-N 2.68Å; G915-Y918 WeakPolarHBondContact O-CB 3.42Å
916T23.7Very low22.2Very low74 Ų74117.2 Ų117.245%0.45466%0.655SS.*SBendtrans-101-11-172.122.50000116.2Y918 Y996T916-Y918 PolarHBondContact O-N 2.7Å; T916-Y996 WeakPolarHBondContact CB-OH 3.46Å; T916-Y996 HydrophobicContact CG2-CE2 4.5Å; T916-Y996 VanDerWaalsContact CG2-OH 3.22Å; T916-Y996 WeakPolarHBondContact CG2-OH 3.43Å
917I24.1Very low22.6Very low135 Ų135118.7 Ų118.769%0.69266%0.658SS**SBendtrans-79.4-6.6163.5-59.6177.9000110.5
918Y23.7Very low22.9Very low78 Ų78120.1 Ų120.131%0.30666%0.659SS.*G310 helixtrans-82.9-20-168.1-104.9-73.3000117.6R347 G348 G915 T916 L920R347-Y918 HydrophobicContact CB-CE1 3.84Å; R347-Y918 HydrophobicContact CB-CE2 4.01Å; R347-Y918 VanDerWaalsContact CD-CE1 3.42Å; R347-Y918 HydrophobicContact CG-CD1 4.44Å; R347-Y918 HydrophobicContact CG-CE1 3.46Å; R347-Y918 VanDerWaalsContact CG-CE1 3.46Å; R347-Y918 WeakPolarHBondContact O-CE2 3.5Å; R347-Y918 PolarHBondContact O-OH 2.99Å; G348-Y918 WeakPolarHBondContact CA-OH 3.31Å; G348-Y918 PolarHBondContact N-OH 3.01Å; G915-Y918 WeakPolarHBondContact O-CB 3.42Å; T916-Y918 PolarHBondContact O-N 2.7Å; Y918-L920 PolarHBondContact O-N 3.23Å
919S22.7Very low23.1Very low65 Ų65112.9 Ų112.946%0.45563%0.629SS.*G310 helixtrans-82-11.7-173.826.20000114.4K921S919-K921 PolarHBondContact O-N 3.45Å
920L21.9Very low23.5Very low120 Ų120111.7 Ų111.763%0.62862%0.621SS**G310 helixtrans-83.1-1.4-176.3-85.3162.8000115.7Y918Y918-L920 PolarHBondContact O-N 3.23Å
921K24.2Very low23.7Very low119 Ų119108.6 Ų108.652%0.51761%0.614SS.*G310 helixtrans-117.61.2-171.9-128.8177.3-175.7175.80116.6S366 S919S366-K921 PolarHBondContact O-NZ 3.14Å; S919-K921 PolarHBondContact O-N 3.45Å
922N21.6Very low23.9Very low126 Ų126106.8 Ų106.867%0.67460%0.596SS**  trans-101.49-179.4-83.5-0.4000114.9G924N922-G924 PolarHBondContact O-N 3.49Å
923I22.5Very low24.2Very low116 Ų116103.3 Ų103.360%0.59558%0.583SS**SBendtrans-90.699.8169.3-54.3179.2000106.8
924G23.2Very low24.7Very low54 Ų5498.4 Ų98.456%0.55756%0.557SS**  trans-59.2161.8-173.800000114N922 T926N922-G924 PolarHBondContact O-N 3.49Å; G924-T926 PolarHBondContact O-N 3.3Å
925P23.9Very low24.9Very low121 Ų12199.3 Ų99.379%0.78656%0.556SS**  trans-76.7126.2-167.232.2-32000110.5
926T24.4Very low25.2Very low115 Ų115101.3 Ų101.371%0.70656%0.555SS**  trans-114.8127.2155.549.70000108.4G924 N928G924-T926 PolarHBondContact O-N 3.3Å; T926-N928 VanDerWaalsContact C-N 3.31Å; T926-N928 PolarHBondContact O-N 3.27Å
927D27.7Very low25.5Very low151 Ų151102.9 Ų102.981%0.80756%0.559SS**THydrogen-bonded Turntrans-69.516.3-146.2-87.9-38.3000119.4
928N26.8Very low25.7Very low127 Ų12797.6 Ų97.668%0.67953%0.534SS*.THydrogen-bonded Turntrans-118.2-0.5-171.2-85.1-24.9000118T926T926-N928 VanDerWaalsContact C-N 3.31Å; T926-N928 PolarHBondContact O-N 3.27Å
929D25.2Very low25.9Very low58 Ų5896.2 Ų96.231%0.3153%0.532SS..G310 helixtrans-90.6-4.7-172.6-60.5-40000115.7K931D929-K931 VanDerWaalsContact C-N 3.3Å; D929-K931 PolarHBondContact O-N 2.94Å
930S26.6Very low26.2Very low90 Ų9096.4 Ų96.463%0.62953%0.527SS*.G310 helixtrans-71.7-17-177.967.80000115.2
931K25.5Very low26.6Very low176 Ų17696.3 Ų96.377%0.76553%0.531SS*.G310 helixtrans-79.3-25.8-177.7-92.7-179.9176.7175.20114.1D929D929-K931 VanDerWaalsContact C-N 3.3Å; D929-K931 PolarHBondContact O-N 2.94Å
932I24.9Very low26.8Very low69 Ų6995.4 Ų95.435%0.35453%0.529SS..THydrogen-bonded Turntrans-88-29.7-169.7-61.1177.8000111.8N934 L962I932-N934 PolarHBondContact O-N 3.48Å; I932-L962 HydrophobicContact CD1-CD2 4.25Å
933N29.3Very low27.1Very low115 Ų11595.6 Ų95.662%0.61553%0.53SS*.Hα-helixtrans-72.1-27.9-170.7-135.3-0.4000114.6
934N31.6Very low27.3Very low43 Ų4396.5 Ų96.523%0.2353%0.53CS..Hα-helixtrans-92.2-22.1-169.9-64.6-49.6000115I423 I932 M936I423-N934 HydrophobicContact CG2-CB 3.13Å; I932-N934 PolarHBondContact O-N 3.48Å; N934-M936 PolarHBondContact O-N 2.79Å
935I27.4Very low27.6Very low91 Ų9199.1 Ų99.147%0.46752%0.523SS..Hα-helixtrans-64.9-32.2172-63.5172000109.5N939I935-N939 WeakPolarHBondContact O-CB 3.36Å; I935-N939 VanDerWaalsContact O-CG 3.3Å; I935-N939 PolarHBondContact O-N 3.08Å
936M27.3Very low27.7Very low85 Ų85100 Ų10042%0.41952%0.521SS..Hα-helixtrans-64.1-47.9-179.5-128177.8-176.200112.4N934 N939 I940N934-M936 PolarHBondContact O-N 2.79Å; M936-N939 PolarHBondContact O-N 3.41Å; M936-I940 WeakPolarHBondContact O-CD1 3.5Å; M936-I940 WeakPolarHBondContact O-CG1 2.76Å; M936-I940 PolarHBondContact O-N 2.55Å; M936-I940 VanDerWaalsContact O-N 3.16Å
937I30.3Very low28Very low106 Ų106102.5 Ų102.554%0.54452%0.524SS..Hα-helixtrans-68.5-38.9-177.7-58.9179.2000111.6N939 I940 V941I937-N939 PolarHBondContact O-N 3.29Å; I937-I940 PolarHBondContact O-N 2.97Å; I937-V941 PolarHBondContact O-N 2.99Å
938S28.3Very low27.9Very low25 Ų25102 Ų10218%0.17552%0.522CS..Hα-helixtrans-70-33.5179.4790000112.9I940 V941 Q942S938-I940 VanDerWaalsContact C-N 3.34Å; S938-V941 PolarHBondContact O-N 3.01Å; S938-Q942 WeakPolarHBondContact O-CB 3.15Å; S938-Q942 WeakPolarHBondContact O-CG 3.4Å; S938-Q942 PolarHBondContact O-N 3.02Å
939N29.3Very low27.8Very low48 Ų48103.9 Ų103.926%0.25752%0.524SS..Hα-helixtrans-73.7-27.3177.5-70.3-2000112.1I935 M936 I937 N943 W945I935-N939 WeakPolarHBondContact O-CB 3.36Å; I935-N939 VanDerWaalsContact O-CG 3.3Å; I935-N939 PolarHBondContact O-N 3.08Å; M936-N939 PolarHBondContact O-N 3.41Å; I937-N939 PolarHBondContact O-N 3.29Å; N939-N943 PolarHBondContact O-N 3.47Å; N939-W945 PolarHBondContact O-NE1 3.11Å; N939-W945 VanDerWaalsContact O-NE1 3.17Å
940I28.3Very low27.8Very low69 Ų69110 Ų11035%0.35455%0.551SS.*Hα-helixtrans-66.8-44.2172.2-69.5162.9000111.2M936 I937 S938 Q942 W945M936-I940 WeakPolarHBondContact O-CD1 3.5Å; M936-I940 WeakPolarHBondContact O-CG1 2.76Å; M936-I940 PolarHBondContact O-N 2.55Å; M936-I940 VanDerWaalsContact O-N 3.16Å; I937-I940 PolarHBondContact O-N 2.97Å; S938-I940 VanDerWaalsContact C-N 3.34Å; I940-Q942 VanDerWaalsContact C-N 3.33Å; I940-Q942 PolarHBondContact O-N 2.89Å; I940-W945 HydrophobicContact CG1-CZ2 4.48Å
941V31.1Very low27.7Very low119 Ų119115.3 Ų115.372%0.72156%0.563SS**Hα-helixtrans-72.5-27.5-179.61780000112.1I937 S938I937-V941 PolarHBondContact O-N 2.99Å; S938-V941 PolarHBondContact O-N 3.01Å
942Q27.7Very low27.7Very low100 Ų100111.8 Ų111.847%0.46756%0.561SS.*Hα-helixtrans-102.6-3.9-173.1-65.4-168.6-0.700115.9S938 I940 K944S938-Q942 WeakPolarHBondContact O-CB 3.15Å; S938-Q942 WeakPolarHBondContact O-CG 3.4Å; S938-Q942 PolarHBondContact O-N 3.02Å; I940-Q942 VanDerWaalsContact C-N 3.33Å; I940-Q942 PolarHBondContact O-N 2.89Å; Q942-K944 PolarHBondContact O-N 2.95Å; Q942-K944 VanDerWaalsContact O-N 3.09Å
943N27.4Very low28.1Very low130 Ų130114.3 Ų114.370%0.69558%0.581SS**THydrogen-bonded Turntrans50.832.2178.2-94.5-2.8000115N939N939-N943 PolarHBondContact O-N 3.47Å
944K27.1Very low28.1Very low135 Ų135115.7 Ų115.759%0.58759%0.589SS**  trans-105.161.1-178-73.1-176.9-179.7176.10113.5Q942Q942-K944 PolarHBondContact O-N 2.95Å; Q942-K944 VanDerWaalsContact O-N 3.09Å
945W29.5Very low27.8Very low109 Ų109120.6 Ų120.641%0.41362%0.615SS.*  trans-89.9-16.5-173.8-72.940000115.2N939 I940 N973N939-W945 PolarHBondContact O-NE1 3.11Å; N939-W945 VanDerWaalsContact O-NE1 3.17Å; I940-W945 HydrophobicContact CG1-CZ2 4.48Å; W945-N973 HydrophobicContact CE3-CB 4.12Å; W945-N973 HydrophobicContact CH2-CB 3.98Å; W945-N973 WeakPolarHBondContact CH2-ND2 3.11Å; W945-N973 VanDerWaalsContact CZ2-ND2 3.33Å; W945-N973 WeakPolarHBondContact CZ2-ND2 3.07Å; W945-N973 HydrophobicContact CZ3-CB 3.47Å; W945-N973 VanDerWaalsContact CZ3-CB 3.47Å; W945-N973 WeakPolarHBondContact CZ3-ND2 3.38Å
946N26.4Very low28Very low140 Ų140124.2 Ų124.275%0.74964%0.635SS**SBendtrans-88.5-1.9-168.5-78.5-8.3000116.9
947Q29.5Very low27.9Very low166 Ų166127.7 Ų127.778%0.77665%0.65SS**SBendtrans-99.4-13.4-168.1-73.6-172.1-20.400116.4
948D26.6Very low27.6Very low141 Ų141128.6 Ų128.675%0.75466%0.663SS**  trans-99.716.8-170.8-71.1-20.4000115.4Q950D948-Q950 VanDerWaalsContact C-N 3.29Å; D948-Q950 PolarHBondContact O-N 2.94Å
949F24.4Very low27.3Very low167 Ų167134 Ų13473%0.73269%0.688SS**  trans-81.568.2174.2-69.5-77.4000112.1K951F949-K951 PolarHBondContact O-N 2.92Å
950Q24.8Very low27Very low187 Ų187139.5 Ų139.587%0.87472%0.717SS**  trans-81.6109.9168.6-75.6-165.3-10.800110.9D948 S952D948-Q950 VanDerWaalsContact C-N 3.29Å; D948-Q950 PolarHBondContact O-N 2.94Å; Q950-S952 PolarHBondContact O-N 2.88Å
951K25.2Very low26.7Very low200 Ų200141.2 Ų141.287%0.8773%0.731SS**  trans-63.3108.8171.9-71.7177.8177.9177.80110F949F949-K951 PolarHBondContact O-N 2.92Å
952S25.6Very low26.3Very low103 Ų103141.9 Ų141.972%0.7273%0.73SS**  trans-63130165.9167.20000109.6Q950 N954Q950-S952 PolarHBondContact O-N 2.88Å; S952-N954 PolarHBondContact O-N 3.38Å
953P32Very low26.1Very low121 Ų121146.3 Ų146.379%0.78675%0.747SS**SBendtrans-78.4-6.3-165.2-1630.9000117.4
954N29.6Very low25.9Very low145 Ų145143.8 Ų143.878%0.77573%0.734SS**SBendtrans-129.717.9-159.1-90.9-2.2000119.1S952S952-N954 PolarHBondContact O-N 3.38Å
955D26.8Very low25.8Very low145 Ų145143.3 Ų143.378%0.77574%0.738SS**  trans-136113.3166.4-80.9-47.5000111.6H957D955-H957 PolarHBondContact O-N 3.34Å
956N30.7Very low25.7Very low167 Ų167143.5 Ų143.589%0.89375%0.747SS**SBendtrans-71.873.4171.5-76.6-24.2000109.4
957H25.8Very low25.7Very low158 Ų158142.8 Ų142.873%0.73174%0.743SS**SBendtrans162.5117.5151.6-83.2-50.5000108.2D955 I959D955-H957 PolarHBondContact O-N 3.34Å; H957-I959 PolarHBondContact O-N 2.89Å
958P23.9Very low25.7Very low126 Ų126139.1 Ų139.182%0.81873%0.726SS**  trans-7798.3-172.131.3-32.1000110.1
959I22.5Very low25.7Very low137 Ų137137.3 Ų137.370%0.70372%0.715SS**  trans-96.289.1169.3-59.3173.5000107H957 T961H957-I959 PolarHBondContact O-N 2.89Å; I959-T961 VanDerWaalsContact C-N 3.35Å; I959-T961 HydrophobicContact CG2-CG2 3.8Å; I959-T961 PolarHBondContact O-N 3.27Å
960L22.8Very low25.7Very low164 Ų164133.5 Ų133.586%0.85970%0.702SS**  trans-87.377.5169.2-90.1153.2000109.2
961T22Very low25.8Very low106 Ų106126.2 Ų126.265%0.6567%0.67SS**  trans-90.796.5165.645.60000108.9I959 K963I959-T961 VanDerWaalsContact C-N 3.35Å; I959-T961 HydrophobicContact CG2-CG2 3.8Å; I959-T961 PolarHBondContact O-N 3.27Å; T961-K963 VanDerWaalsContact C-N 3.3Å; T961-K963 PolarHBondContact O-N 2.87Å
962L22.3Very low25.8Very low133 Ų133120.7 Ų120.770%0.69665%0.649SS**  trans-74.291.9160.2-111.1134.4000107.2I932 N964I932-L962 HydrophobicContact CD1-CD2 4.25Å; L962-N964 PolarHBondContact O-N 3.36Å
963K22.7Very low25.9Very low193 Ų193117.5 Ų117.584%0.83962%0.624SS**  trans-69.6100.2162.1-85.3-178.8175177.30107.3T961T961-K963 VanDerWaalsContact C-N 3.3Å; T961-K963 PolarHBondContact O-N 2.87Å
964N23.6Very low25.6Very low76 Ų76117.2 Ų117.241%0.40662%0.615SS.*  trans-151.9142141.8-129.314.8000110L962L962-N964 PolarHBondContact O-N 3.36Å
965N25.5Very low25.4Very low126 Ų126112.2 Ų112.267%0.67459%0.587SS**  trans-75128.2-164.8-68-34.9000111.6
966N26.5Very low25.3Very low112 Ų112109.7 Ų109.760%0.59958%0.577SS**SBendtrans77.4129158.6-50.9-17.8000117.5
967D27.9Very low25.1Very low126 Ų126109.9 Ų109.967%0.67457%0.572SS**  trans79.181.8169.9-55.6-14.7000119
968H29Very low25Very low88 Ų88107.7 Ų107.741%0.40757%0.566SS.*  trans-130.5107166.7-62.9-31.4000112.2L970H968-L970 PolarHBondContact O-N 3.42Å
969L26.2Very low25Very low103 Ų103109.7 Ų109.754%0.53956%0.564SS.*PPolyproline II helixtrans-70.4118.1164.7-175.281.2000108.7Y998L969-Y998 VanDerWaalsContact CD1-CB 3.44Å; L969-Y998 HydrophobicContact CD1-CG 4.27Å
970L25Very low25.1Very low87 Ų87109 Ų10946%0.45556%0.561SS.*PPolyproline II helixtrans-93.6119.2-177.9-86.9132.8000111.5H968 I984H968-L970 PolarHBondContact O-N 3.42Å; L970-I984 HydrophobicContact CD1-CB 3.85Å; L970-I984 HydrophobicContact CD1-CG2 3.43Å; L970-I984 VanDerWaalsContact CD1-CG2 3.43Å
971V26.7Very low25.2Very low34 Ų34104 Ų10421%0.20654%0.535CS..PPolyproline II helixtrans-97.5123.1173.8176.40000108.4F1000V971-F1000 HydrophobicContact CG1-CD1 3.84Å; V971-F1000 HydrophobicContact CG2-CB 4.36Å
972M23.8Very low25.3Very low84 Ų84107.6 Ų107.641%0.41454%0.542SS..BIsolated β-bridgetrans-91.2117-176.6-62.6-174.3-63.900110.1F975M972-F975 HydrophobicContact SD-CZ 4.33Å
973N28.4Very low25.4Very low36 Ų36106 Ų10619%0.19353%0.533CS..  trans-120.5-4.2-176-97.29.3000117.7W945 Q1002W945-N973 HydrophobicContact CE3-CB 4.12Å; W945-N973 HydrophobicContact CH2-CB 3.98Å; W945-N973 WeakPolarHBondContact CH2-ND2 3.11Å; W945-N973 VanDerWaalsContact CZ2-ND2 3.33Å; W945-N973 WeakPolarHBondContact CZ2-ND2 3.07Å; W945-N973 HydrophobicContact CZ3-CB 3.47Å; W945-N973 VanDerWaalsContact CZ3-CB 3.47Å; W945-N973 WeakPolarHBondContact CZ3-ND2 3.38Å; N973-Q1002 PolarHBondContact ND2-OE1 3.33Å; N973-Q1002 PolarHBondContact OD1-OE1 3.24Å
974D26.7Very low25.6Very low115 Ų115102.5 Ų102.562%0.61552%0.523SS*.  trans-161.7123.2174.6-94.2-48.8000111.6T976D974-T976 VanDerWaalsContact C-N 3.31Å
975F24.3Very low25.7Very low41 Ų41101.6 Ų101.618%0.1852%0.52CS..SBendtrans-91.313.7176.1-78.7-92.4000113.2M972 L978 H1006 L1010M972-F975 HydrophobicContact SD-CZ 4.33Å; F975-L978 HydrophobicContact CD1-CD1 4.09Å; F975-H1006 HydrophobicContact CB-CB 3.82Å; F975-H1006 HydrophobicContact CD2-CB 3.11Å; F975-H1006 AromaticContact CD2-CD2 3.72Å; F975-H1006 AromaticContact CD2-CG 3.57Å; F975-H1006 HydrophobicContact CE2-CB 3.82Å; F975-H1006 HydrophobicContact CG-CB 3.65Å; F975-H1006 AromaticContact CG-CG 3.9Å; F975-H1006 PolarHBondContact N-NE2 3Å; F975-L1010 HydrophobicContact CD1-CD2 4.46Å; F975-L1010 HydrophobicContact CD1-CG 4.3Å; F975-L1010 HydrophobicContact CE1-CD1 3.61Å; F975-L1010 HydrophobicContact CE1-CD2 3.63Å; F975-L1010 HydrophobicContact CE1-CG 3.52Å; F975-L1010 HydrophobicContact CE2-CD1 4.22Å; F975-L1010 HydrophobicContact CZ-CD1 3.3Å; F975-L1010 HydrophobicContact CZ-CD2 4.24Å; F975-L1010 HydrophobicContact CZ-CG 3.76Å
976T24.9Very low25.8Very low91 Ų9199 Ų9956%0.55851%0.512SS*.SBendtrans-83.5-30.5-173.647.50000113.1D974 L978D974-T976 VanDerWaalsContact C-N 3.31Å; T976-L978 PolarHBondContact O-N 3.2Å
977E26.1Very low25.7Very low172 Ų17296.1 Ų96.180%0.80450%0.5SS*.  trans-10354.8-178.1-65.4-169163.800112.9H979E977-H979 PolarHBondContact O-N 3.48Å
978L24.4Very low25.7Very low112 Ų11294.8 Ų94.859%0.58649%0.49SS*.  trans-76.936.6175.5-120.9146.2000112.6F975 T976 N980F975-L978 HydrophobicContact CD1-CD1 4.09Å; T976-L978 PolarHBondContact O-N 3.2Å; L978-N980 PolarHBondContact O-N 2.86Å
979H23.2Very low25.6Very low168 Ų16895.3 Ų95.378%0.77850%0.501SS*.THydrogen-bonded Turntrans-84.9101.5174-125.3-62.3000108.8E977E977-H979 PolarHBondContact O-N 3.48Å
980N24.9Very low25.7Very low121 Ų12197 Ų9765%0.64751%0.511SS*.THydrogen-bonded Turntrans91.646.9170-47.8-18.4000117.1L978 K982L978-N980 PolarHBondContact O-N 2.86Å; N980-K982 PolarHBondContact O-N 3.36Å; N980-K982 VanDerWaalsContact O-N 3.09Å
981D25.5Very low25.8Very low59 Ų5999.2 Ų99.232%0.31652%0.522SS..  trans48.448.5141.3-64.1-21.9000117.4Y1017 L1020D981-Y1017 HydrophobicContact CB-CE1 4.17Å; D981-L1020 WeakPolarHBondContact O-CD2 3.46Å
982K23.1Very low26Very low182 Ų182105 Ų10579%0.79155%0.551SS**  trans-122.1103.8171.9-71.8179.2-175.8177.40111.2N980N980-K982 PolarHBondContact O-N 3.36Å; N980-K982 VanDerWaalsContact O-N 3.09Å
983L25.5Very low26.3Very low99 Ų99108.7 Ų108.752%0.51857%0.573SS.*  trans-95.1118.9169.1-165.690.6000108.4T985 H1040L983-T985 HydrophobicContact CD2-CG2 3.94Å; L983-T985 HydrophobicContact CG-CG2 4.43Å; L983-H1040 WeakPolarHBondContact CD2-ND1 3.31Å
984I25.5Very low26.2Very low121 Ų121109.3 Ų109.362%0.62158%0.58SS**  trans-104.8106.9177.7-51.2177.9000108.8L970L970-I984 HydrophobicContact CD1-CB 3.85Å; L970-I984 HydrophobicContact CD1-CG2 3.43Å; L970-I984 VanDerWaalsContact CD1-CG2 3.43Å
985T26.1Very low26.5Very low57 Ų57109.4 Ų109.435%0.3558%0.576SS.*  trans-103.7126.417255.50000109.1L983 S987 V1039L983-T985 HydrophobicContact CD2-CG2 3.94Å; L983-T985 HydrophobicContact CG-CG2 4.43Å; T985-S987 PolarHBondContact O-N 3.12Å; T985-V1039 HydrophobicContact CG2-CB 4.5Å; T985-V1039 HydrophobicContact CG2-CG1 3.74Å
986S27.6Very low26.8Very low71 Ų71110.4 Ų110.450%0.49758%0.58SS.*  trans-80.2104.5171.6168.70000109.5
987S25.9Very low27.1Very low51 Ų51107.2 Ų107.236%0.35756%0.559SS.*  trans-109.1123.7163.359.60000108.3T985 P989T985-S987 PolarHBondContact O-N 3.12Å; S987-P989 WeakPolarHBondContact O-CD 3.42Å
988H26Very low27.3Very low99 Ų99104.5 Ų104.546%0.45854%0.542SS..  trans-73.5116.4174.8-162-38.8000109.3
989P28.7Very low27.8Very low98 Ų98100.7 Ų100.764%0.63652%0.523SS*.  trans-102.390.2171.530.4-12.9000107.5S987S987-P989 WeakPolarHBondContact O-CD 3.42Å
990D26.9Very low28.2Very low139 Ų13995 Ų9574%0.74350%0.496SS*.  trans176.8144.4147.5-89.3-26.6000110.8
991I28.4Very low28.8Very low134 Ų13490.1 Ų90.169%0.68747%0.47SS*.SBendtrans84.579.9-179.7-42.6171.3000114.8
992N29.4Very low29.4Very low155 Ų15590.5 Ų90.583%0.82947%0.47SS*.THydrogen-bonded Turntrans27.698149.7-68.4-15.2000117.9
993N31.4Very low30.2Very low162 Ų16285.1 Ų85.187%0.86645%0.45SS*.THydrogen-bonded Turntrans8213.1153.5-72.3-6.6000122
994S26.4Very low31.3Very low49 Ų4981.4 Ų81.434%0.34343%0.429SS..  trans-131.397.4167.7530000113.4Y996S994-Y996 VanDerWaalsContact CB-CE2 3.46Å; S994-Y996 PolarHBondContact O-N 3.39Å
995H31.4Very low32.1Very low117 Ų11779.3 Ų79.354%0.54243%0.425SS..  trans-88.197.2176.1-70.552.2000109.8
996Y31.5Very low32.9Very low62 Ų6277.4 Ų77.424%0.24341%0.413CS..  trans-92.1134.4171.5-58.9-83.3000110.5T916 S994 E1078 I1079T916-Y996 WeakPolarHBondContact CB-OH 3.46Å; T916-Y996 HydrophobicContact CG2-CE2 4.5Å; T916-Y996 VanDerWaalsContact CG2-OH 3.22Å; T916-Y996 WeakPolarHBondContact CG2-OH 3.43Å; S994-Y996 VanDerWaalsContact CB-CE2 3.46Å; S994-Y996 PolarHBondContact O-N 3.39Å; Y996-E1078 WeakPolarHBondContact CA-O 3.4Å; Y996-E1078 WeakPolarHBondContact CD1-O 3.42Å; Y996-I1079 HydrophobicContact CE1-CB 4.3Å; Y996-I1079 HydrophobicContact CE1-CG2 4.04Å; Y996-I1079 VanDerWaalsContact CE1-O 3.22Å; Y996-I1079 WeakPolarHBondContact CE1-O 3.24Å
997I30.5Very low33.5Very low23 Ų2375.1 Ų75.112%0.11840%0.395CS..EExtended strand (participates in β ladder)trans-125.7126.8177.2-57.1175.3000108.2V999 V1039 E1078I997-V999 HydrophobicContact CG2-CG2 4.07Å; I997-V1039 HydrophobicContact CD1-CG1 4.06Å; I997-V1039 HydrophobicContact CD1-CG2 4.08Å; I997-E1078 PolarHBondContact O-N 3.43Å; I997-E1078 VanDerWaalsContact O-N 3.14Å
998Y31.8Very low34.2Very low115 Ų11578.4 Ų78.445%0.45140%0.404SS..EExtended strand (participates in β ladder)trans-104.1126.1178.7-66.9-88.7000109.9L969 I1076 I1077L969-Y998 VanDerWaalsContact CD1-CB 3.44Å; L969-Y998 HydrophobicContact CD1-CG 4.27Å; Y998-I1076 WeakPolarHBondContact CA-O 3.45Å; Y998-I1077 HydrophobicContact CD1-CB 4.42Å; Y998-I1077 HydrophobicContact CD1-CD1 4.46Å; Y998-I1077 HydrophobicContact CD1-CG1 3.84Å; Y998-I1077 HydrophobicContact CD1-CG2 4.23Å; Y998-I1077 HydrophobicContact CE1-CB 4.26Å; Y998-I1077 HydrophobicContact CE1-CD1 4Å; Y998-I1077 HydrophobicContact CE1-CG1 3.77Å; Y998-I1077 HydrophobicContact CE1-CG2 3.68Å
999V33.1Very low34.9Very low32 Ų3281.6 Ų81.619%0.19441%0.412CS..EExtended strand (participates in β ladder)trans-129.7124.2179.6-174.10000109.4I997 I1001 I1076I997-V999 HydrophobicContact CG2-CG2 4.07Å; V999-I1001 HydrophobicContact CG1-CD1 4.29Å; V999-I1001 HydrophobicContact CG1-CG1 3.95Å; V999-I1076 PolarHBondContact N-O 3.09Å; V999-I1076 VanDerWaalsContact N-O 3.08Å; V999-I1076 PolarHBondContact O-N 3.38Å
1000F32.3Very low35.3Very low50 Ų5079.8 Ų79.822%0.21940%0.397CS..EExtended strand (participates in β ladder)trans-108.6129.2174.1-169.7-96.1000109.4V971 Q1002 I1089V971-F1000 HydrophobicContact CG1-CD1 3.84Å; V971-F1000 HydrophobicContact CG2-CB 4.36Å; F1000-Q1002 HydrophobicContact CD1-CB 4.37Å; F1000-Q1002 HydrophobicContact CE1-CB 3.91Å; F1000-Q1002 HydrophobicContact CE1-CG 4.38Å; F1000-I1089 HydrophobicContact CE2-CD1 3.63Å; F1000-I1089 HydrophobicContact CZ-CD1 4.34Å
1001I38.1Very low35.9Very low18 Ų1881.3 Ų81.39%0.09239%0.392CS..EExtended strand (participates in β ladder)trans-125.6109.1-177.8-51.9178.1000108V999 F1004 L1007 L1047 L1074 I1076V999-I1001 HydrophobicContact CG1-CD1 4.29Å; V999-I1001 HydrophobicContact CG1-CG1 3.95Å; I1001-F1004 HydrophobicContact CB-CE1 3.94Å; I1001-F1004 HydrophobicContact CB-CZ 3.9Å; I1001-F1004 HydrophobicContact CG2-CD1 3.76Å; I1001-F1004 HydrophobicContact CG2-CD2 4.46Å; I1001-F1004 HydrophobicContact CG2-CE1 3.41Å; I1001-F1004 VanDerWaalsContact CG2-CE1 3.41Å; I1001-F1004 HydrophobicContact CG2-CE2 4.19Å; I1001-F1004 HydrophobicContact CG2-CG 4.24Å; I1001-F1004 HydrophobicContact CG2-CZ 3.64Å; I1001-F1004 WeakPolarHBondContact O-CZ 3.37Å; I1001-L1007 HydrophobicContact CG2-CD1 4.11Å; I1001-L1047 HydrophobicContact CD1-CD2 4.46Å; I1001-L1074 PolarHBondContact N-O 3.48Å; I1001-I1076 HydrophobicContact CD1-CD1 4.1Å
1002Q37Very low36.4Very low67 Ų6780.5 Ų80.531%0.31339%0.389SS..SBendtrans-97.7-47.6179-164.1175.5-4.800111.3N973 F1000N973-Q1002 PolarHBondContact ND2-OE1 3.33Å; N973-Q1002 PolarHBondContact OD1-OE1 3.24Å; F1000-Q1002 HydrophobicContact CD1-CB 4.37Å; F1000-Q1002 HydrophobicContact CE1-CB 3.91Å; F1000-Q1002 HydrophobicContact CE1-CG 4.38Å
1003D41.4Very low36.6Very low68 Ų6883.5 Ų83.536%0.36439%0.389SS..  trans-106.3113.6177.9-172.34.9000112.1S1005 H1006D1003-S1005 WeakPolarHBondContact OD1-CB 3.47Å; D1003-S1005 PolarHBondContact OD1-N 3.05Å; D1003-S1005 PolarHBondContact OD1-OG 3.01Å; D1003-S1005 PolarHBondContact OD2-OG 3.41Å; D1003-H1006 IonicContact OD2-CD2 2.61Å
1004F47.2Very low36.6Very low22 Ų2285 Ų8510%0.09639%0.391CS..  trans-86.8-6.5-179.3-64.1-91.6000113.2I1001 H1006 L1007 M1054 I1057 L1074I1001-F1004 HydrophobicContact CB-CE1 3.94Å; I1001-F1004 HydrophobicContact CB-CZ 3.9Å; I1001-F1004 HydrophobicContact CG2-CD1 3.76Å; I1001-F1004 HydrophobicContact CG2-CD2 4.46Å; I1001-F1004 HydrophobicContact CG2-CE1 3.41Å; I1001-F1004 VanDerWaalsContact CG2-CE1 3.41Å; I1001-F1004 HydrophobicContact CG2-CE2 4.19Å; I1001-F1004 HydrophobicContact CG2-CG 4.24Å; I1001-F1004 HydrophobicContact CG2-CZ 3.64Å; I1001-F1004 WeakPolarHBondContact O-CZ 3.37Å; F1004-H1006 PolarHBondContact O-N 3.16Å; F1004-L1007 HydrophobicContact CB-CD1 4.11Å; F1004-L1007 HydrophobicContact CD1-CD1 3.38Å; F1004-L1007 HydrophobicContact CE1-CD1 4.15Å; F1004-L1007 HydrophobicContact CG-CD1 4.14Å; F1004-L1007 PolarHBondContact O-N 2.72Å; F1004-M1054 HydrophobicContact CD1-CE 4.25Å; F1004-M1054 HydrophobicContact CD1-SD 4.29Å; F1004-I1057 HydrophobicContact CD1-CD1 4.33Å; F1004-I1057 HydrophobicContact CD1-CG2 3.93Å; F1004-I1057 HydrophobicContact CD2-CG2 3.7Å; F1004-I1057 HydrophobicContact CE1-CD1 3.77Å; F1004-I1057 HydrophobicContact CE1-CG2 3.86Å; F1004-I1057 HydrophobicContact CE2-CG2 3.6Å; F1004-I1057 HydrophobicContact CG-CG2 3.9Å; F1004-I1057 HydrophobicContact CZ-CD1 4.25Å; F1004-I1057 HydrophobicContact CZ-CG2 3.71Å; F1004-L1074 HydrophobicContact CE1-CD1 4.12Å; F1004-L1074 HydrophobicContact CZ-CB 4.35Å; F1004-L1074 HydrophobicContact CZ-CD1 3.72Å
1005S44Very low36.8Very low76 Ų7691 Ų9153%0.53141%0.407SS..THydrogen-bonded Turntrans-61.4-30.2-176.672.90000113D1003D1003-S1005 WeakPolarHBondContact OD1-CB 3.47Å; D1003-S1005 PolarHBondContact OD1-N 3.05Å; D1003-S1005 PolarHBondContact OD1-OG 3.01Å; D1003-S1005 PolarHBondContact OD2-OG 3.41Å
1006H41.7Very low36.7Very low18 Ų1892.7 Ų92.78%0.08342%0.42CS..THydrogen-bonded Turntrans-93.6-8.7-174.3-69.9-57.3000115.7F975 D1003 F1004 E1008 R1009 L1010F975-H1006 HydrophobicContact CB-CB 3.82Å; F975-H1006 HydrophobicContact CD2-CB 3.11Å; F975-H1006 AromaticContact CD2-CD2 3.72Å; F975-H1006 AromaticContact CD2-CG 3.57Å; F975-H1006 HydrophobicContact CE2-CB 3.82Å; F975-H1006 HydrophobicContact CG-CB 3.65Å; F975-H1006 AromaticContact CG-CG 3.9Å; F975-H1006 PolarHBondContact N-NE2 3Å; D1003-H1006 IonicContact OD2-CD2 2.61Å; F1004-H1006 PolarHBondContact O-N 3.16Å; H1006-E1008 PolarHBondContact O-N 3.4Å; H1006-R1009 PolarHBondContact O-N 2.99Å; H1006-L1010 PolarHBondContact O-N 3.1Å
1007L41.1Very low36.6Very low23 Ų2395.2 Ų95.212%0.1243%0.43CS..Hα-helixtrans-61.9-29-179.1-79.8165.4000113.2I1001 F1004 R1009 L1047 M1054I1001-L1007 HydrophobicContact CG2-CD1 4.11Å; F1004-L1007 HydrophobicContact CB-CD1 4.11Å; F1004-L1007 HydrophobicContact CD1-CD1 3.38Å; F1004-L1007 HydrophobicContact CE1-CD1 4.15Å; F1004-L1007 HydrophobicContact CG-CD1 4.14Å; F1004-L1007 PolarHBondContact O-N 2.72Å; L1007-R1009 VanDerWaalsContact C-N 3.34Å; L1007-R1009 PolarHBondContact O-N 3.47Å; L1007-L1047 HydrophobicContact CD1-CD2 4.26Å; L1007-L1047 HydrophobicContact CD2-CD1 3.26Å; L1007-L1047 HydrophobicContact CD2-CD2 3.47Å; L1007-L1047 VanDerWaalsContact CD2-CD2 3.47Å; L1007-L1047 HydrophobicContact CD2-CG 3.94Å; L1007-L1047 HydrophobicContact CG-CD2 4.49Å; L1007-M1054 HydrophobicContact CB-CE 4.04Å; L1007-M1054 HydrophobicContact CD1-CE 3.52Å; L1007-M1054 HydrophobicContact CD1-SD 4.05Å; L1007-M1054 HydrophobicContact CG-CE 4.43Å
1008E40.5Very low36.4Very low119 Ų119103 Ų10356%0.55646%0.463SS*.Hα-helixtrans-67.4-31.4174-78.2-179.4-162.100112.8H1006 R1011 K1058H1006-E1008 PolarHBondContact O-N 3.4Å; E1008-R1011 WeakPolarHBondContact O-CB 3.34Å; E1008-R1011 PolarHBondContact O-N 3.46Å; E1008-K1058 IonicContact OE1-NZ 3.46Å; E1008-K1058 PolarHBondContact OE1-NZ 2.81Å
1009R39.4Very low36.2Very low166 Ų166104.3 Ų104.363%0.62648%0.478SS*.Hα-helixtrans-73.3-38.8179.7-79.4-175.9175.4159.31.1112.6H1006 L1007 R1011 N1012H1006-R1009 PolarHBondContact O-N 2.99Å; L1007-R1009 VanDerWaalsContact C-N 3.34Å; L1007-R1009 PolarHBondContact O-N 3.47Å; R1009-R1011 PolarHBondContact O-N 3.28Å; R1009-N1012 PolarHBondContact O-N 3.48Å
1010L37.2Very low35.9Very low61 Ų61106.8 Ų106.832%0.31949%0.489SS..Hα-helixtrans-61.1-24.4176.4-86.6177.1000113.3F975 H1006 N1012F975-L1010 HydrophobicContact CD1-CD2 4.46Å; F975-L1010 HydrophobicContact CD1-CG 4.3Å; F975-L1010 HydrophobicContact CE1-CD1 3.61Å; F975-L1010 HydrophobicContact CE1-CD2 3.63Å; F975-L1010 HydrophobicContact CE1-CG 3.52Å; F975-L1010 HydrophobicContact CE2-CD1 4.22Å; F975-L1010 HydrophobicContact CZ-CD1 3.3Å; F975-L1010 HydrophobicContact CZ-CD2 4.24Å; F975-L1010 HydrophobicContact CZ-CG 3.76Å; H1006-L1010 PolarHBondContact O-N 3.1Å; L1010-N1012 VanDerWaalsContact C-N 3.27Å; L1010-N1012 PolarHBondContact O-N 3.41Å
1011R39.7Very low35.7Very low171 Ų171109.9 Ų109.965%0.64550%0.503SS*.THydrogen-bonded Turntrans-64.9-28.2179.1-160.5175.876.9177.44.3113E1008 R1009E1008-R1011 WeakPolarHBondContact O-CB 3.34Å; E1008-R1011 PolarHBondContact O-N 3.46Å; R1009-R1011 PolarHBondContact O-N 3.28Å
1012N39.2Very low35.2Very low116 Ų116113.3 Ų113.362%0.6253%0.528SS*.SBendtrans-112.6-7.9-154.5-69.5-10.2000119R1009 L1010R1009-N1012 PolarHBondContact O-N 3.48Å; L1010-N1012 VanDerWaalsContact C-N 3.27Å; L1010-N1012 PolarHBondContact O-N 3.41Å
1013R33Very low34.7Very low219 Ų219119.2 Ų119.283%0.82655%0.553SS**  trans-114.3139-177.7-78-171.2176.9179.4-0.5115.3
1014Q31Very low34.1Very low192 Ų192118.6 Ų118.690%0.89755%0.552SS**  trans-113.1122.1-175.4-119.8174-25.400108.4
1015Y31.9Very low33.1Very low176 Ų176122.9 Ų122.969%0.6958%0.582SS**  trans-137.9154173.5-103.3-75.2000111.8Y1017Y1015-Y1017 VanDerWaalsContact CB-CE2 3.5Å; Y1015-Y1017 WeakPolarHBondContact O-CD2 3.37Å
1016D28.6Very low32.6Very low152 Ų152129.1 Ų129.181%0.81359%0.594SS**  trans-107.2101.1-168.4-147.8-6.1000110.8K1018D1016-K1018 PolarHBondContact O-N 3.33Å
1017Y29.2Very low31.9Very low116 Ų116131.4 Ų131.446%0.45561%0.606SS.*  trans-96.121.3-158.1-80.1-87.9000116.2D981 Y1015 N1019D981-Y1017 HydrophobicContact CB-CE1 4.17Å; Y1015-Y1017 VanDerWaalsContact CB-CE2 3.5Å; Y1015-Y1017 WeakPolarHBondContact O-CD2 3.37Å; Y1017-N1019 PolarHBondContact O-N 3.17Å
1018K26.8Very low31.2Very low187 Ų187138.3 Ų138.381%0.81364%0.638SS**THydrogen-bonded Turntrans-67.8-30.2-174.1-96179.2176.4174.50115.7D1016D1016-K1018 PolarHBondContact O-N 3.33Å
1019N27Very low30.7Very low142 Ų142143.7 Ų143.776%0.75965%0.653SS**THydrogen-bonded Turntrans-89.8-13.3-170.1-78-17.9000115.3Y1017 F1021 S1022Y1017-N1019 PolarHBondContact O-N 3.17Å; N1019-F1021 PolarHBondContact O-N 2.91Å; N1019-S1022 PolarHBondContact O-OG 3.33Å
1020L28.1Very low30Very low83 Ų83146.5 Ų146.544%0.43566%0.663SS.*G310 helixtrans-71.8-27.2-169-149.778.5000113.7D981D981-L1020 WeakPolarHBondContact O-CD2 3.46Å
1021F27.5Very low29.3Very low115 Ų115152.4 Ų152.450%0.50469%0.69SS.*G310 helixtrans-94.1-2.2-173.6-67.2-76.6000114.8N1019 K1023 I1027N1019-F1021 PolarHBondContact O-N 2.91Å; F1021-K1023 VanDerWaalsContact C-N 3.33Å; F1021-K1023 PolarHBondContact O-N 3.18Å; F1021-I1027 HydrophobicContact CB-CD1 4.4Å; F1021-I1027 HydrophobicContact CD1-CD1 3.88Å
1022S27.7Very low28.7Very low90 Ų90149.2 Ų149.263%0.62969%0.694SS**G310 helixtrans-73.7-18.2-179.363.60000114.4N1019N1019-S1022 PolarHBondContact O-OG 3.33Å
1023K26.2Very low28.1Very low191 Ų191148.1 Ų148.183%0.8370%0.695SS**G310 helixtrans-105.914.2-172.8-74.1-171.8176.9-178.70115.7F1021F1021-K1023 VanDerWaalsContact C-N 3.33Å; F1021-K1023 PolarHBondContact O-N 3.18Å
1024V28.7Very low27.9Very low55 Ų55142.8 Ų142.833%0.33369%0.691SS.*  trans-108.5106.7178.9-172.70000109.9W1026 I1027V1024-W1026 VanDerWaalsContact C-N 3.26Å; V1024-W1026 HydrophobicContact CG1-CG 4.34Å; V1024-W1026 PolarHBondContact O-N 3.31Å; V1024-I1027 HydrophobicContact CB-CD1 4Å; V1024-I1027 HydrophobicContact CB-CG1 4.29Å; V1024-I1027 HydrophobicContact CG1-CD1 4.4Å; V1024-I1027 HydrophobicContact CG1-CG1 4.44Å; V1024-I1027 PolarHBondContact O-N 3.04Å
1025P26.9Very low27.8Very low113 Ų113138.1 Ų138.173%0.73468%0.676SS**THydrogen-bonded Turntrans-60.6-21.3-165-27.734.9000116.7I1027P1025-I1027 VanDerWaalsContact C-N 3.34Å
1026W32.4Very low27.5Very low207 Ų207134 Ų13478%0.78467%0.672SS**THydrogen-bonded Turntrans-83.8-8178.757.5-84.8000113.9V1024V1024-W1026 VanDerWaalsContact C-N 3.26Å; V1024-W1026 HydrophobicContact CG1-CG 4.34Å; V1024-W1026 PolarHBondContact O-N 3.31Å
1027I28.3Very low27.3Very low66 Ų66133 Ų13334%0.33867%0.666SS.*G310 helixtrans-80.7-22.2175.6-60.9-179.6000112F1021 V1024 P1025 R1029 R1030F1021-I1027 HydrophobicContact CB-CD1 4.4Å; F1021-I1027 HydrophobicContact CD1-CD1 3.88Å; V1024-I1027 HydrophobicContact CB-CD1 4Å; V1024-I1027 HydrophobicContact CB-CG1 4.29Å; V1024-I1027 HydrophobicContact CG1-CD1 4.4Å; V1024-I1027 HydrophobicContact CG1-CG1 4.44Å; V1024-I1027 PolarHBondContact O-N 3.04Å; P1025-I1027 VanDerWaalsContact C-N 3.34Å; I1027-R1029 PolarHBondContact O-N 3.4Å; I1027-R1029 VanDerWaalsContact O-N 3.13Å; I1027-R1030 PolarHBondContact O-N 3.44Å
1028Q26.9Very low27.2Very low168 Ų168132.3 Ų132.379%0.78567%0.667SS**G310 helixtrans-64.9-16.7176.2-90.7-175.2-17.200114.2
1029R29.1Very low27.3Very low232 Ų232124 Ų12488%0.87563%0.632SS**G310 helixtrans-90.6-2179.5-78.2-168.1-167.7178.64.9115.6I1027I1027-R1029 PolarHBondContact O-N 3.4Å; I1027-R1029 VanDerWaalsContact O-N 3.13Å
1030R24.2Very low27.3Very low224 Ų224122.3 Ų122.385%0.84562%0.619SS**  trans-137.174.7175.7-71.8-172.2-177.1169.50.2111.5I1027 S1032I1027-R1030 PolarHBondContact O-N 3.44Å; R1030-S1032 VanDerWaalsContact C-N 3.34Å; R1030-S1032 PolarHBondContact O-N 3.24Å; R1030-S1032 VanDerWaalsContact O-N 3.16Å
1031Q24.1Very low27.2Very low186 Ų186122.8 Ų122.887%0.86963%0.628SS**  trans-76.186.5159-74.9-173.7-14.600109.5
1032S25.8Very low27.5Very low104 Ų104119.8 Ų119.873%0.72762%0.615SS**  trans176.1136.2144.954.40000111.9R1030R1030-S1032 VanDerWaalsContact C-N 3.34Å; R1030-S1032 PolarHBondContact O-N 3.24Å; R1030-S1032 VanDerWaalsContact O-N 3.16Å
1033S26.8Very low28Very low93 Ų93117.9 Ų117.965%0.6560%0.597SS**  trans80.973.9166.373.70000121.3T1035S1033-T1035 PolarHBondContact O-N 3.04Å
1034S28.9Very low28.4Very low106 Ų106114.1 Ų114.174%0.74158%0.581SS**  4912.3118.170.30000124.9
1035T29.4Very low29Very low95 Ų95118.7 Ų118.758%0.58360%0.596SS**THydrogen-bonded Turntrans-84.4-12.8-174.750.90000117S1033 I1037S1033-T1035 PolarHBondContact O-N 3.04Å; T1035-I1037 PolarHBondContact O-N 3.09Å
1036S24.9Very low29.6Very low88 Ų88117 Ų11762%0.61558%0.578SS**THydrogen-bonded Turntrans-80.7-11.9-175.859.50000115.5
1037I23.8Very low30.1Very low132 Ų132109.5 Ų109.568%0.67755%0.553SS**SBendtrans-90.3-20.2-172.3-61.4172.5000112.8T1035T1035-I1037 PolarHBondContact O-N 3.09Å
1038E27.3Very low30.9Very low101 Ų101109.2 Ų109.247%0.47257%0.566SS.*Hα-helixtrans-82.6-27.6-167.3-150.6178.1171.500114.7K1081E1038-K1081 IonicContact OE1-NZ 3.55Å
1039V28.8Very low31.4Very low14 Ų14107.5 Ų107.59%0.08556%0.561CS.*Hα-helixtrans-69.7-40.4-174.6179.80000112.5T985 I997 C1041 K1042 I1043T985-V1039 HydrophobicContact CG2-CB 4.5Å; T985-V1039 HydrophobicContact CG2-CG1 3.74Å; I997-V1039 HydrophobicContact CD1-CG1 4.06Å; I997-V1039 HydrophobicContact CD1-CG2 4.08Å; V1039-C1041 PolarHBondContact O-N 3.02Å; V1039-K1042 PolarHBondContact O-N 2.9Å; V1039-I1043 HydrophobicContact CG1-CD1 4.43Å; V1039-I1043 PolarHBondContact O-N 2.73Å
1040H28Very low32.4Very low105 Ų105100.5 Ų100.549%0.48654%0.541SS..Hα-helixtrans-67.6-36-176.5-167.674.9000112.6L983 K1042L983-H1040 WeakPolarHBondContact CD2-ND1 3.31Å; H1040-K1042 VanDerWaalsContact C-N 3.3Å; H1040-K1042 PolarHBondContact O-N 2.71Å
1041C26.8Very low33.5Very low93 Ų9398 Ų9863%0.62854%0.539SS*.Hα-helixtrans-67-27.6175.7-860000113.3V1039 K1045V1039-C1041 PolarHBondContact O-N 3.02Å; C1041-K1045 PolarHBondContact O-N 3.02Å
1042K33.7Very low34.5Very low53 Ų5397 Ų9723%0.2353%0.532CS..Hα-helixtrans-78.4-41.6-176.9-75.5-175.8173.1-167.10113.7V1039 H1040 K1044 K1045 F1046 E1078V1039-K1042 PolarHBondContact O-N 2.9Å; H1040-K1042 VanDerWaalsContact C-N 3.3Å; H1040-K1042 PolarHBondContact O-N 2.71Å; K1042-K1044 VanDerWaalsContact C-N 3.29Å; K1042-K1044 PolarHBondContact O-N 3.19Å; K1042-K1045 WeakPolarHBondContact O-CA 3.43Å; K1042-K1045 WeakPolarHBondContact O-CB 3.4Å; K1042-K1045 PolarHBondContact O-N 3.37Å; K1042-F1046 PolarHBondContact O-N 2.99Å; K1042-E1078 IonicContact NZ-OE1 2.6Å; K1042-E1078 PolarHBondContact NZ-OE1 3.5Å
1043I37.6Very low35.6Very low50 Ų5093.3 Ų93.326%0.25650%0.504SS..Hα-helixtrans-61.2-40.2176.8-66.1173000110.5V1039 K1045 F1046 L1047V1039-I1043 HydrophobicContact CG1-CD1 4.43Å; V1039-I1043 PolarHBondContact O-N 2.73Å; I1043-K1045 VanDerWaalsContact C-N 3.27Å; I1043-K1045 PolarHBondContact O-N 2.87Å; I1043-F1046 PolarHBondContact O-N 2.85Å; I1043-L1047 HydrophobicContact CG2-CD1 3.68Å; I1043-L1047 HydrophobicContact CG2-CG 4.36Å; I1043-L1047 WeakPolarHBondContact O-CB 3.3Å; I1043-L1047 WeakPolarHBondContact O-CG 3.13Å; I1043-L1047 PolarHBondContact O-N 2.83Å
1044K34.9Very low36.8Very low111 Ų11190.7 Ų90.748%0.48348%0.482SS..Hα-helixtrans-61.7-35.2174.6-160.7174.7-173.7174.10112.3K1042 G1048K1042-K1044 VanDerWaalsContact C-N 3.29Å; K1042-K1044 PolarHBondContact O-N 3.19Å; K1044-G1048 PolarHBondContact O-N 2.86Å
1045K41Very low37.9Very low151 Ų15192.6 Ų92.666%0.65748%0.477SS*.Hα-helixtrans-70.9-43.6177.5-141.5179.2-174.3-177.30111.8C1041 K1042 I1043 G1048 L1049C1041-K1045 PolarHBondContact O-N 3.02Å; K1042-K1045 WeakPolarHBondContact O-CA 3.43Å; K1042-K1045 WeakPolarHBondContact O-CB 3.4Å; K1042-K1045 PolarHBondContact O-N 3.37Å; I1043-K1045 VanDerWaalsContact C-N 3.27Å; I1043-K1045 PolarHBondContact O-N 2.87Å; K1045-G1048 PolarHBondContact O-N 3.22Å; K1045-L1049 HydrophobicContact CG-CD1 4.18Å; K1045-L1049 WeakPolarHBondContact O-CB 3.48Å; K1045-L1049 WeakPolarHBondContact O-CD1 3.05Å; K1045-L1049 VanDerWaalsContact O-CG 3.24Å; K1045-L1049 WeakPolarHBondContact O-CG 3.38Å; K1045-L1049 PolarHBondContact O-N 3.3Å
1046F40.1Very low39.1Very low78 Ų7890.3 Ų90.334%0.34246%0.459SS..Hα-helixtrans-66-47.8178.4-169.8-92.7000112.1K1042 I1043 G1048 L1049 I1076K1042-F1046 PolarHBondContact O-N 2.99Å; I1043-F1046 PolarHBondContact O-N 2.85Å; F1046-G1048 VanDerWaalsContact C-N 3.25Å; F1046-G1048 PolarHBondContact O-N 3.41Å; F1046-L1049 PolarHBondContact O-N 3.37Å; F1046-I1076 HydrophobicContact CD1-CD1 4.19Å; F1046-I1076 HydrophobicContact CE1-CD1 3.56Å; F1046-I1076 HydrophobicContact CE1-CG1 4.33Å; F1046-I1076 HydrophobicContact CE1-CG2 4.49Å; F1046-I1076 HydrophobicContact CZ-CD1 4.21Å; F1046-I1076 HydrophobicContact CZ-CG2 4.22Å
1047L42.3Very low40.4Very low49 Ų4986.3 Ų86.326%0.25743%0.431SS..Hα-helixtrans-68-26.1177.2-67.4170.1000112.9I1001 L1007 I1043I1001-L1047 HydrophobicContact CD1-CD2 4.46Å; L1007-L1047 HydrophobicContact CD1-CD2 4.26Å; L1007-L1047 HydrophobicContact CD2-CD1 3.26Å; L1007-L1047 HydrophobicContact CD2-CD2 3.47Å; L1007-L1047 VanDerWaalsContact CD2-CD2 3.47Å; L1007-L1047 HydrophobicContact CD2-CG 3.94Å; L1007-L1047 HydrophobicContact CG-CD2 4.49Å; I1043-L1047 HydrophobicContact CG2-CD1 3.68Å; I1043-L1047 HydrophobicContact CG2-CG 4.36Å; I1043-L1047 WeakPolarHBondContact O-CB 3.3Å; I1043-L1047 WeakPolarHBondContact O-CG 3.13Å; I1043-L1047 PolarHBondContact O-N 2.83Å
1048G44.3Very low41.9Very low60 Ų6084.3 Ų84.362%0.61942%0.417SS*.Hα-helixtrans-76.7-21.6175.700000114.8K1044 K1045 F1046K1044-G1048 PolarHBondContact O-N 2.86Å; K1045-G1048 PolarHBondContact O-N 3.22Å; F1046-G1048 VanDerWaalsContact C-N 3.25Å; F1046-G1048 PolarHBondContact O-N 3.41Å
1049L38.9Very low43.3Very low132 Ų13282 Ų8269%0.69141%0.406SS*.Hα-helixtrans-96.9-15.7-164.3-84.3168.4000116.3K1045 F1046K1045-L1049 HydrophobicContact CG-CD1 4.18Å; K1045-L1049 WeakPolarHBondContact O-CB 3.48Å; K1045-L1049 WeakPolarHBondContact O-CD1 3.05Å; K1045-L1049 VanDerWaalsContact O-CG 3.24Å; K1045-L1049 WeakPolarHBondContact O-CG 3.38Å; K1045-L1049 PolarHBondContact O-N 3.3Å; F1046-L1049 PolarHBondContact O-N 3.37Å
1050N49.5Very low44.6Very low85 Ų8582.1 Ų82.146%0.45541%0.405SS..  trans-130.773-175.1-139.8-12.7000112.9K1052 L1053 M1054N1050-K1052 PolarHBondContact O-N 3.18Å; N1050-L1053 HydrophobicContact CB-CB 3.87Å; N1050-L1053 WeakPolarHBondContact O-CB 3Å; N1050-L1053 PolarHBondContact O-N 2.79Å; N1050-M1054 PolarHBondContact O-N 2.94Å; N1050-M1054 VanDerWaalsContact O-N 3.13Å
1051E46.6Very low46Very low172 Ų17280.9 Ų80.980%0.80441%0.405SS*.Hα-helixtrans-54-34.5174.7-154.2179.8-158.100111.7M1054 K1055E1051-M1054 PolarHBondContact O-N 3.17Å; E1051-K1055 WeakPolarHBondContact O-CB 3.48Å; E1051-K1055 PolarHBondContact O-N 3.33Å
1052K46.4Very low47.6Very low165 Ų16582.5 Ų82.572%0.71740%0.404SS*.Hα-helixtrans-62.7-41.8173.5-72.8-174.1-179.6-178.20112.8N1050 K1055 F1056N1050-K1052 PolarHBondContact O-N 3.18Å; K1052-K1055 PolarHBondContact O-N 3.42Å; K1052-F1056 VanDerWaalsContact O-CB 3.29Å; K1052-F1056 WeakPolarHBondContact O-CB 3.39Å; K1052-F1056 PolarHBondContact O-N 3.14Å
1053L48.7Very low49Very low26 Ų2680.9 Ų80.914%0.13640%0.397CS..Hα-helixtrans-66.8-44.8178-179.165.3000110.8N1050 K1055 F1056 I1057 F1194N1050-L1053 HydrophobicContact CB-CB 3.87Å; N1050-L1053 WeakPolarHBondContact O-CB 3Å; N1050-L1053 PolarHBondContact O-N 2.79Å; L1053-K1055 VanDerWaalsContact C-N 3.29Å; L1053-K1055 PolarHBondContact O-N 3.46Å; L1053-F1056 HydrophobicContact CD1-CD1 4.47Å; L1053-F1056 WeakPolarHBondContact O-CB 3.38Å; L1053-F1056 PolarHBondContact O-N 3.12Å; L1053-I1057 HydrophobicContact CD1-CD1 4.24Å; L1053-I1057 HydrophobicContact CD1-CG1 4.4Å; L1053-I1057 HydrophobicContact CG-CD1 3.87Å; L1053-I1057 HydrophobicContact CG-CG1 4.46Å; L1053-I1057 WeakPolarHBondContact O-CD1 3.39Å; L1053-I1057 VanDerWaalsContact O-CG1 3.23Å; L1053-I1057 WeakPolarHBondContact O-CG1 3.46Å; L1053-I1057 PolarHBondContact O-N 3.22Å; L1053-F1194 HydrophobicContact CD1-CE2 4.3Å; L1053-F1194 HydrophobicContact CD1-CZ 3.72Å
1054M51.8Low50.3Low38 Ų3883.9 Ų83.919%0.18741%0.413CS..Hα-helixtrans-63.2-38176.8-73.9-60.7-68.700111.8F1004 L1007 N1050 E1051 I1057 K1058F1004-M1054 HydrophobicContact CD1-CE 4.25Å; F1004-M1054 HydrophobicContact CD1-SD 4.29Å; L1007-M1054 HydrophobicContact CB-CE 4.04Å; L1007-M1054 HydrophobicContact CD1-CE 3.52Å; L1007-M1054 HydrophobicContact CD1-SD 4.05Å; L1007-M1054 HydrophobicContact CG-CE 4.43Å; N1050-M1054 PolarHBondContact O-N 2.94Å; N1050-M1054 VanDerWaalsContact O-N 3.13Å; E1051-M1054 PolarHBondContact O-N 3.17Å; M1054-I1057 PolarHBondContact O-N 3.27Å; M1054-I1057 HydrophobicContact SD-CD1 4.35Å; M1054-K1058 WeakPolarHBondContact O-CB 3.48Å; M1054-K1058 WeakPolarHBondContact O-CG 3.35Å; M1054-K1058 PolarHBondContact O-N 3.03Å
1055K51.4Low51.9Low146 Ų14680.3 Ų80.364%0.63540%0.398SS*.Hα-helixtrans-65.7-42.1173.2-162.7175.7-177.2-179.80111.7E1051 K1052 L1053 K1058 Q1059E1051-K1055 WeakPolarHBondContact O-CB 3.48Å; E1051-K1055 PolarHBondContact O-N 3.33Å; K1052-K1055 PolarHBondContact O-N 3.42Å; L1053-K1055 VanDerWaalsContact C-N 3.29Å; L1053-K1055 PolarHBondContact O-N 3.46Å; K1055-K1058 PolarHBondContact O-N 3.39Å; K1055-Q1059 WeakPolarHBondContact O-CB 3.21Å; K1055-Q1059 VanDerWaalsContact O-CG 3.32Å; K1055-Q1059 WeakPolarHBondContact O-CG 3.24Å; K1055-Q1059 PolarHBondContact O-N 3.33Å
1056F53.5Low53.3Low47 Ų4778.5 Ų78.521%0.20640%0.399CS..Hα-helixtrans-57.6-48.4173.9169.5-79.1000111.6K1052 L1053 Q1059 Y1060 M1088 F1171K1052-F1056 VanDerWaalsContact O-CB 3.29Å; K1052-F1056 WeakPolarHBondContact O-CB 3.39Å; K1052-F1056 PolarHBondContact O-N 3.14Å; L1053-F1056 HydrophobicContact CD1-CD1 4.47Å; L1053-F1056 WeakPolarHBondContact O-CB 3.38Å; L1053-F1056 PolarHBondContact O-N 3.12Å; F1056-Q1059 PolarHBondContact O-N 3.01Å; F1056-Y1060 HydrophobicContact CE1-CD2 4.38Å; F1056-Y1060 AromaticContact CZ-CD2 3.93Å; F1056-Y1060 HydrophobicContact CZ-CD2 3.93Å; F1056-Y1060 PolarHBondContact O-N 3Å; F1056-M1088 HydrophobicContact CD1-CE 3.79Å; F1056-M1088 HydrophobicContact CE1-CE 2.95Å; F1056-M1088 HydrophobicContact CE1-SD 3.63Å; F1056-M1088 HydrophobicContact CE2-CE 4.38Å; F1056-M1088 HydrophobicContact CZ-CE 3.31Å; F1056-M1088 HydrophobicContact CZ-SD 3.76Å; F1056-F1171 HydrophobicContact CE2-CB 4.32Å; F1056-F1171 HydrophobicContact CE2-CD2 4.08Å
1057I52.5Low55.1Low4 Ų475.6 Ų75.62%0.02139%0.387CS..Hα-helixtrans-66-47-177.8-63.8160.3000110.2F1004 L1053 M1054 Q1059 Y1060 T1061 F1071 L1074F1004-I1057 HydrophobicContact CD1-CD1 4.33Å; F1004-I1057 HydrophobicContact CD1-CG2 3.93Å; F1004-I1057 HydrophobicContact CD2-CG2 3.7Å; F1004-I1057 HydrophobicContact CE1-CD1 3.77Å; F1004-I1057 HydrophobicContact CE1-CG2 3.86Å; F1004-I1057 HydrophobicContact CE2-CG2 3.6Å; F1004-I1057 HydrophobicContact CG-CG2 3.9Å; F1004-I1057 HydrophobicContact CZ-CD1 4.25Å; F1004-I1057 HydrophobicContact CZ-CG2 3.71Å; L1053-I1057 HydrophobicContact CD1-CD1 4.24Å; L1053-I1057 HydrophobicContact CD1-CG1 4.4Å; L1053-I1057 HydrophobicContact CG-CD1 3.87Å; L1053-I1057 HydrophobicContact CG-CG1 4.46Å; L1053-I1057 WeakPolarHBondContact O-CD1 3.39Å; L1053-I1057 VanDerWaalsContact O-CG1 3.23Å; L1053-I1057 WeakPolarHBondContact O-CG1 3.46Å; L1053-I1057 PolarHBondContact O-N 3.22Å; M1054-I1057 PolarHBondContact O-N 3.27Å; M1054-I1057 HydrophobicContact SD-CD1 4.35Å; I1057-Q1059 PolarHBondContact O-N 2.99Å; I1057-Y1060 PolarHBondContact O-N 3.26Å; I1057-T1061 HydrophobicContact CG2-CG2 4.34Å; I1057-T1061 WeakPolarHBondContact O-CG2 3.48Å; I1057-T1061 PolarHBondContact O-N 3.01Å; I1057-T1061 PolarHBondContact O-OG1 3.43Å; I1057-T1061 VanDerWaalsContact O-OG1 3.08Å; I1057-F1071 HydrophobicContact CG2-CE1 4.42Å; I1057-L1074 HydrophobicContact CD1-CD1 3.1Å; I1057-L1074 HydrophobicContact CG1-CD1 3.42Å; I1057-L1074 VanDerWaalsContact CG1-CD1 3.42Å; I1057-L1074 HydrophobicContact CG2-CD1 4.34Å
1058K56Low56.2Low91 Ų9173.3 Ų73.340%0.39638%0.376SS..Hα-helixtrans-57.2-37.9175.7-77.4-175.2178.5-175.70111.4E1008 M1054 K1055 T1061 Q1062E1008-K1058 IonicContact OE1-NZ 3.46Å; E1008-K1058 PolarHBondContact OE1-NZ 2.81Å; M1054-K1058 WeakPolarHBondContact O-CB 3.48Å; M1054-K1058 WeakPolarHBondContact O-CG 3.35Å; M1054-K1058 PolarHBondContact O-N 3.03Å; K1055-K1058 PolarHBondContact O-N 3.39Å; K1058-T1061 PolarHBondContact O-OG1 3.37Å; K1058-Q1062 VanDerWaalsContact O-CG 3.3Å; K1058-Q1062 WeakPolarHBondContact O-CG 3.49Å; K1058-Q1062 PolarHBondContact O-NE2 3.28Å
1059Q56.5Low56.9Low52 Ų5270.8 Ų70.824%0.24335%0.348CS..Hα-helixtrans-69.7-45.2175.7-77.2176.5-28.700112.3K1055 F1056 I1057 T1061 Q1062K1055-Q1059 WeakPolarHBondContact O-CB 3.21Å; K1055-Q1059 VanDerWaalsContact O-CG 3.32Å; K1055-Q1059 WeakPolarHBondContact O-CG 3.24Å; K1055-Q1059 PolarHBondContact O-N 3.33Å; F1056-Q1059 PolarHBondContact O-N 3.01Å; I1057-Q1059 PolarHBondContact O-N 2.99Å; Q1059-T1061 PolarHBondContact O-N 3.28Å; Q1059-Q1062 WeakPolarHBondContact O-CB 3.47Å; Q1059-Q1062 PolarHBondContact O-N 3.4Å
1060Y56.1Low57.7Low16 Ų1668.4 Ų68.46%0.06333%0.332CS..Hα-helixtrans-66.4-38-177.8-153.6-72.9000112.3F1056 I1057 Q1062 F1063 F1071 F1171F1056-Y1060 HydrophobicContact CE1-CD2 4.38Å; F1056-Y1060 AromaticContact CZ-CD2 3.93Å; F1056-Y1060 HydrophobicContact CZ-CD2 3.93Å; F1056-Y1060 PolarHBondContact O-N 3Å; I1057-Y1060 PolarHBondContact O-N 3.26Å; Y1060-Q1062 PolarHBondContact O-N 3.37Å; Y1060-Q1062 VanDerWaalsContact O-N 3.13Å; Y1060-F1063 WeakPolarHBondContact O-CD2 3.41Å; Y1060-F1063 PolarHBondContact O-N 3.14Å; Y1060-F1071 HydrophobicContact CD1-CB 3.27Å; Y1060-F1071 HydrophobicContact CD1-CD2 4.1Å; Y1060-F1071 AromaticContact CD1-CG 3.76Å; Y1060-F1071 HydrophobicContact CD1-CG 3.76Å; Y1060-F1071 HydrophobicContact CE1-CB 3.36Å; Y1060-F1071 HydrophobicContact CE1-CD2 4.35Å; Y1060-F1071 HydrophobicContact CE1-CG 4.17Å; Y1060-F1071 HydrophobicContact CG-CB 4.47Å; Y1060-F1171 HydrophobicContact CD2-CD2 4.15Å; Y1060-F1171 AromaticContact CD2-CE2 3.83Å; Y1060-F1171 HydrophobicContact CD2-CE2 3.83Å; Y1060-F1171 HydrophobicContact CE2-CD2 4.39Å; Y1060-F1171 HydrophobicContact CE2-CE2 4.11Å
1061T57.5Low58Low80 Ų8065.9 Ų65.949%0.49132%0.317SS..THydrogen-bonded Turntrans-64.5-13.6177.751.40000114.2I1057 K1058 Q1059 F1071I1057-T1061 HydrophobicContact CG2-CG2 4.34Å; I1057-T1061 WeakPolarHBondContact O-CG2 3.48Å; I1057-T1061 PolarHBondContact O-N 3.01Å; I1057-T1061 PolarHBondContact O-OG1 3.43Å; I1057-T1061 VanDerWaalsContact O-OG1 3.08Å; K1058-T1061 PolarHBondContact O-OG1 3.37Å; Q1059-T1061 PolarHBondContact O-N 3.28Å; T1061-F1071 HydrophobicContact CG2-CD1 3.9Å; T1061-F1071 HydrophobicContact CG2-CE1 3.98Å
1062Q60.1Low58Low127 Ų12764 Ų6459%0.59330%0.304SS*.THydrogen-bonded Turntrans-83.4-16.1-179.1-71.2169.41.100113.7K1058 Q1059 Y1060 D1064K1058-Q1062 VanDerWaalsContact O-CG 3.3Å; K1058-Q1062 WeakPolarHBondContact O-CG 3.49Å; K1058-Q1062 PolarHBondContact O-NE2 3.28Å; Q1059-Q1062 WeakPolarHBondContact O-CB 3.47Å; Q1059-Q1062 PolarHBondContact O-N 3.4Å; Y1060-Q1062 PolarHBondContact O-N 3.37Å; Y1060-Q1062 VanDerWaalsContact O-N 3.13Å; Q1062-D1064 PolarHBondContact O-N 3.09Å
1063F63.3Low58Low19 Ų1956.2 Ų56.28%0.08327%0.27CS..  trans-77.8104.9-178.5-60.8-61.9000110.9Y1060 I1068 Y1141 L1142 Y1147 I1169 F1171Y1060-F1063 WeakPolarHBondContact O-CD2 3.41Å; Y1060-F1063 PolarHBondContact O-N 3.14Å; F1063-I1068 HydrophobicContact CB-CG2 4.28Å; F1063-Y1141 AromaticContact CD1-CE1 3.95Å; F1063-Y1141 HydrophobicContact CD1-CE1 3.95Å; F1063-L1142 HydrophobicContact CD1-CD2 4.27Å; F1063-L1142 HydrophobicContact CE1-CD2 3.95Å; F1063-Y1147 AromaticContact CE1-CD2 3.66Å; F1063-Y1147 HydrophobicContact CE1-CD2 3.66Å; F1063-Y1147 AromaticContact CE1-CE2 3.51Å; F1063-Y1147 HydrophobicContact CE1-CE2 3.51Å; F1063-Y1147 HydrophobicContact CE1-CG 4.41Å; F1063-Y1147 HydrophobicContact CZ-CD1 4.35Å; F1063-Y1147 AromaticContact CZ-CD2 3.77Å; F1063-Y1147 HydrophobicContact CZ-CD2 3.77Å; F1063-Y1147 HydrophobicContact CZ-CE1 4.07Å; F1063-Y1147 AromaticContact CZ-CE2 3.47Å; F1063-Y1147 HydrophobicContact CZ-CE2 3.47Å; F1063-Y1147 VanDerWaalsContact CZ-CE2 3.47Å; F1063-Y1147 HydrophobicContact CZ-CG 4.2Å; F1063-Y1147 AromaticContact CZ-CZ 3.62Å; F1063-I1169 HydrophobicContact CD1-CD1 4.36Å; F1063-I1169 HydrophobicContact CD2-CD1 3.84Å; F1063-I1169 HydrophobicContact CE1-CD1 4.48Å; F1063-I1169 HydrophobicContact CE2-CD1 4.02Å; F1063-I1169 HydrophobicContact CG-CD1 4.04Å; F1063-I1169 HydrophobicContact CZ-CD1 4.32Å; F1063-F1171 AromaticContact CE2-CE2 3.73Å; F1063-F1171 HydrophobicContact CE2-CE2 3.73Å; F1063-F1171 AromaticContact CE2-CZ 3.48Å; F1063-F1171 HydrophobicContact CE2-CZ 3.48Å; F1063-F1171 VanDerWaalsContact CE2-CZ 3.48Å; F1063-F1171 HydrophobicContact CZ-CE2 4.29Å; F1063-F1171 AromaticContact CZ-CZ 3.56Å; F1063-F1171 HydrophobicContact CZ-CZ 3.56Å
1064D64.1Low57.8Low113 Ų11355.1 Ų55.160%0.60426%0.264SS*.  trans-122.382.2173-166.824.8000109.9Q1062 K1070 Y1141Q1062-D1064 PolarHBondContact O-N 3.09Å; D1064-K1070 IonicContact OD1-NZ 2.67Å; D1064-K1070 PolarHBondContact OD1-NZ 2.7Å; D1064-Y1141 PolarHBondContact N-OH 2.69Å
1065H69.8Low57.4Low36 Ų3654.7 Ų54.717%0.16727%0.265CS..  trans-135.5141176.4-172.1-93.7000110.1N1067 I1068 S1137 Y1141H1065-N1067 PolarHBondContact ND1-N 3.1Å; H1065-N1067 VanDerWaalsContact ND1-N 3.14Å; H1065-N1067 PolarHBondContact O-N 2.76Å; H1065-I1068 HydrophobicContact CB-CB 4.26Å; H1065-I1068 HydrophobicContact CB-CD1 3.87Å; H1065-I1068 HydrophobicContact CB-CG1 4.02Å; H1065-I1068 PolarHBondContact O-N 2.93Å; H1065-I1068 VanDerWaalsContact O-N 3.1Å; H1065-S1137 PolarHBondContact CE1-OG 2.86Å; H1065-S1137 VanDerWaalsContact CE1-OG 3.26Å; H1065-S1137 PolarHBondContact NE2-OG 2.88Å; H1065-Y1141 HydrophobicContact CB-CD1 3.77Å; H1065-Y1141 HydrophobicContact CB-CD2 4.23Å; H1065-Y1141 HydrophobicContact CB-CE1 3.78Å; H1065-Y1141 HydrophobicContact CB-CE2 4.29Å; H1065-Y1141 HydrophobicContact CB-CG 3.96Å; H1065-Y1141 AromaticContact CD2-CD2 3.79Å; H1065-Y1141 AromaticContact CD2-CG 3.73Å; H1065-Y1141 AromaticContact CG-CG 3.9Å
1066V70.7Confident56.9Low112 Ų11248.6 Ų48.668%0.67924%0.239SC*.THydrogen-bonded Turntrans-61.7-32.4-174-176.30000112.4K1166V1066-K1166 VanDerWaalsContact O-CE 3.31Å; V1066-K1166 WeakPolarHBondContact O-CE 3.33Å
1067N77.3Confident56.4Low17 Ų1748.6 Ų48.69%0.09124%0.241CC..THydrogen-bonded Turntrans-96.720.6-179.3-52.8-18.5000112.9H1065 Q1134 S1137 K1166 L1167H1065-N1067 PolarHBondContact ND1-N 3.1Å; H1065-N1067 VanDerWaalsContact ND1-N 3.14Å; H1065-N1067 PolarHBondContact O-N 2.76Å; N1067-Q1134 WeakPolarHBondContact ND2-CA 3.28Å; N1067-Q1134 PolarHBondContact ND2-O 3.2Å; N1067-S1137 PolarHBondContact ND2-OG 3.39Å; N1067-K1166 CarbonylContact O-C 3.58Å; N1067-K1166 WeakPolarHBondContact O-CA 3.38Å; N1067-L1167 PolarHBondContact O-N 3.42Å
1068I65Low55.6Low2 Ų249.7 Ų49.71%0.0125%0.246CC..BIsolated β-bridgetrans-123137.9173.9-64.9179.7000108.7F1063 H1065 K1070 Y1141 L1142 I1169F1063-I1068 HydrophobicContact CB-CG2 4.28Å; H1065-I1068 HydrophobicContact CB-CB 4.26Å; H1065-I1068 HydrophobicContact CB-CD1 3.87Å; H1065-I1068 HydrophobicContact CB-CG1 4.02Å; H1065-I1068 PolarHBondContact O-N 2.93Å; H1065-I1068 VanDerWaalsContact O-N 3.1Å; I1068-K1070 PolarHBondContact O-N 3.21Å; I1068-Y1141 HydrophobicContact CD1-CD1 3.37Å; I1068-Y1141 HydrophobicContact CD1-CE1 3.67Å; I1068-Y1141 HydrophobicContact CD1-CG 4.47Å; I1068-L1142 HydrophobicContact CD1-CD1 4.49Å; I1068-L1142 HydrophobicContact CD1-CD2 3.8Å; I1068-L1142 HydrophobicContact CD1-CG 3.93Å; I1068-I1169 HydrophobicContact CD1-CD1 4.35Å; I1068-I1169 HydrophobicContact CG2-CD1 3.59Å; I1068-I1169 HydrophobicContact CG2-CG1 4.08Å
1069V60.4Low54.6Low7 Ų749.1 Ų49.14%0.04225%0.246CC..  trans-65.7123.3178.8175.30000110.4E1091 K1166 L1167 K1168V1069-E1091 HydrophobicContact CG1-CB 4.11Å; V1069-K1166 HydrophobicContact CG2-CB 4.05Å; V1069-L1167 PolarHBondContact N-O 2.86Å; V1069-K1168 HydrophobicContact CG2-CB 4.21Å
1070K54.2Low53.6Low82 Ų8248.8 Ų48.836%0.35725%0.249SC..  trans-75.3149.3-178.6-65.2-168.1171.8-148.20113.2D1064 I1068 T1090 E1091D1064-K1070 IonicContact OD1-NZ 2.67Å; D1064-K1070 PolarHBondContact OD1-NZ 2.7Å; I1068-K1070 PolarHBondContact O-N 3.21Å; K1070-T1090 CarbonylContact O-C 3.57Å; K1070-T1090 WeakPolarHBondContact O-CA 3.5Å; K1070-T1090 WeakPolarHBondContact O-CB 3.38Å; K1070-E1091 HydrophobicContact CB-CB 4.22Å; K1070-E1091 PolarHBondContact O-N 2.82Å
1071F55.8Low52.9Low31 Ų3156.1 Ų56.114%0.13628%0.282CS..EExtended strand (participates in β ladder)trans-106.8136.6174.7171.6-93.5000111.7I1057 Y1060 T1061 G1073 L1074 M1088I1057-F1071 HydrophobicContact CG2-CE1 4.42Å; Y1060-F1071 HydrophobicContact CD1-CB 3.27Å; Y1060-F1071 HydrophobicContact CD1-CD2 4.1Å; Y1060-F1071 AromaticContact CD1-CG 3.76Å; Y1060-F1071 HydrophobicContact CD1-CG 3.76Å; Y1060-F1071 HydrophobicContact CE1-CB 3.36Å; Y1060-F1071 HydrophobicContact CE1-CD2 4.35Å; Y1060-F1071 HydrophobicContact CE1-CG 4.17Å; Y1060-F1071 HydrophobicContact CG-CB 4.47Å; T1061-F1071 HydrophobicContact CG2-CD1 3.9Å; T1061-F1071 HydrophobicContact CG2-CE1 3.98Å; F1071-G1073 VanDerWaalsContact CE2-O 3.27Å; F1071-G1073 WeakPolarHBondContact CE2-O 3.28Å; F1071-G1073 VanDerWaalsContact CZ-C 3.44Å; F1071-G1073 WeakPolarHBondContact CZ-O 3.22Å; F1071-L1074 HydrophobicContact CE2-CG 4.39Å; F1071-L1074 HydrophobicContact CZ-CD1 4.13Å; F1071-L1074 HydrophobicContact CZ-CG 3.96Å; F1071-M1088 HydrophobicContact CD2-CB 4.33Å; F1071-M1088 HydrophobicContact CE2-CB 3.9Å; F1071-M1088 HydrophobicContact CE2-CG 3.86Å; F1071-M1088 HydrophobicContact CE2-SD 4.23Å
1072Y48Very low51.9Low134 Ų13456.1 Ų56.153%0.52529%0.29SS..EExtended strand (participates in β ladder)trans-110.8-25.5-176.6-67.6-67.4000114.1I1089 E1091Y1072-I1089 PolarHBondContact N-O 3.32Å; Y1072-E1091 HydrophobicContact CE2-CB 4.18Å
1073G44.7Very low50.7Low0 Ų057.9 Ų57.90%029%0.292CS..EExtended strand (participates in β ladder)trans159.4-173.1178.800000115.4F1071 I1089F1071-G1073 VanDerWaalsContact CE2-O 3.27Å; F1071-G1073 WeakPolarHBondContact CE2-O 3.28Å; F1071-G1073 VanDerWaalsContact CZ-C 3.44Å; F1071-G1073 WeakPolarHBondContact CZ-O 3.22Å; G1073-I1089 PolarHBondContact O-N 3.39Å
1074L45.5Very low49.7Very low4 Ų459.1 Ų59.12%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-122140.2-180-82.6149.4000112.2I1001 F1004 I1057 F1071 C1086 S1087 M1088 F1194I1001-L1074 PolarHBondContact N-O 3.48Å; F1004-L1074 HydrophobicContact CE1-CD1 4.12Å; F1004-L1074 HydrophobicContact CZ-CB 4.35Å; F1004-L1074 HydrophobicContact CZ-CD1 3.72Å; I1057-L1074 HydrophobicContact CD1-CD1 3.1Å; I1057-L1074 HydrophobicContact CG1-CD1 3.42Å; I1057-L1074 VanDerWaalsContact CG1-CD1 3.42Å; I1057-L1074 HydrophobicContact CG2-CD1 4.34Å; F1071-L1074 HydrophobicContact CE2-CG 4.39Å; F1071-L1074 HydrophobicContact CZ-CD1 4.13Å; F1071-L1074 HydrophobicContact CZ-CG 3.96Å; L1074-C1086 WeakPolarHBondContact CD2-SG 3.5Å; L1074-S1087 WeakPolarHBondContact CA-O 3.44Å; L1074-M1088 HydrophobicContact CD2-CG 3.8Å; L1074-F1194 HydrophobicContact CD2-CE1 4.41Å
1075S44Very low48.3Very low28 Ų2857.3 Ų57.320%0.19629%0.293CS..EExtended strand (participates in β ladder)trans-111.9130.5168.5610000109.7C1086 S1087S1075-C1086 CarbonylContact O-C 3.58Å; S1075-C1086 WeakPolarHBondContact O-CA 3.47Å; S1075-S1087 PolarHBondContact N-O 3.31Å; S1075-S1087 PolarHBondContact O-N 2.76Å; S1075-S1087 WeakPolarHBondContact OG-CB 3.32Å; S1075-S1087 PolarHBondContact OG-O 3.27Å
1076I41.1Very low47Very low19 Ų1956.5 Ų56.510%0.09729%0.291CS..EExtended strand (participates in β ladder)trans-119129.6177.5-57.1161.7000108.9Y998 V999 I1001 F1046 L1085Y998-I1076 WeakPolarHBondContact CA-O 3.45Å; V999-I1076 PolarHBondContact N-O 3.09Å; V999-I1076 VanDerWaalsContact N-O 3.08Å; V999-I1076 PolarHBondContact O-N 3.38Å; I1001-I1076 HydrophobicContact CD1-CD1 4.1Å; F1046-I1076 HydrophobicContact CD1-CD1 4.19Å; F1046-I1076 HydrophobicContact CE1-CD1 3.56Å; F1046-I1076 HydrophobicContact CE1-CG1 4.33Å; F1046-I1076 HydrophobicContact CE1-CG2 4.49Å; F1046-I1076 HydrophobicContact CZ-CD1 4.21Å; F1046-I1076 HydrophobicContact CZ-CG2 4.22Å; I1076-L1085 WeakPolarHBondContact CA-O 3.27Å
1077I41.4Very low45.6Very low47 Ų4751.6 Ų51.624%0.24126%0.262CS..EExtended strand (participates in β ladder)trans-122.7107.1178.9-51.9177000107.4Y998 I1079 S1084 L1085Y998-I1077 HydrophobicContact CD1-CB 4.42Å; Y998-I1077 HydrophobicContact CD1-CD1 4.46Å; Y998-I1077 HydrophobicContact CD1-CG1 3.84Å; Y998-I1077 HydrophobicContact CD1-CG2 4.23Å; Y998-I1077 HydrophobicContact CE1-CB 4.26Å; Y998-I1077 HydrophobicContact CE1-CD1 4Å; Y998-I1077 HydrophobicContact CE1-CG1 3.77Å; Y998-I1077 HydrophobicContact CE1-CG2 3.68Å; I1077-I1079 HydrophobicContact CG2-CG1 4.42Å; I1077-I1079 PolarHBondContact O-N 2.91Å; I1077-S1084 CarbonylContact O-C 3.58Å; I1077-S1084 VanDerWaalsContact O-CA 3.3Å; I1077-S1084 WeakPolarHBondContact O-CA 3.26Å; I1077-L1085 HydrophobicContact CB-CB 4.37Å; I1077-L1085 PolarHBondContact N-O 3.48Å; I1077-L1085 PolarHBondContact O-N 3.28Å
1078E35.9Very low44Very low27 Ų2751.7 Ų51.713%0.12626%0.262CS..EExtended strand (participates in β ladder)trans-77.3108.6173.9-170176.916000108.9Y996 I997 K1042 S1080Y996-E1078 WeakPolarHBondContact CA-O 3.4Å; Y996-E1078 WeakPolarHBondContact CD1-O 3.42Å; I997-E1078 PolarHBondContact O-N 3.43Å; I997-E1078 VanDerWaalsContact O-N 3.14Å; K1042-E1078 IonicContact NZ-OE1 2.6Å; K1042-E1078 PolarHBondContact NZ-OE1 3.5Å; E1078-S1080 WeakPolarHBondContact CG-O 3.23Å
1079I34.5Very low42.9Very low79 Ų7954.7 Ų54.741%0.40528%0.278SS..EExtended strand (participates in β ladder)trans-83-31.3-177.9-58.8175.2000110.8Y996 I1077 Y1083 L1085Y996-I1079 HydrophobicContact CE1-CB 4.3Å; Y996-I1079 HydrophobicContact CE1-CG2 4.04Å; Y996-I1079 VanDerWaalsContact CE1-O 3.22Å; Y996-I1079 WeakPolarHBondContact CE1-O 3.24Å; I1077-I1079 HydrophobicContact CG2-CG1 4.42Å; I1077-I1079 PolarHBondContact O-N 2.91Å; I1079-Y1083 WeakPolarHBondContact CA-O 3.47Å; I1079-Y1083 PolarHBondContact N-O 2.82Å; I1079-L1085 HydrophobicContact CD1-CB 3.95Å
1080S36.9Very low42.4Very low44 Ų4456.5 Ų56.531%0.30829%0.289SS..EExtended strand (participates in β ladder)trans-158.9174.3175.773.40000111E1078 A1082 Y1083E1078-S1080 WeakPolarHBondContact CG-O 3.23Å; S1080-A1082 PolarHBondContact O-N 2.94Å; S1080-A1082 PolarHBondContact OG-N 2.03Å; S1080-Y1083 PolarHBondContact N-O 3.12Å; S1080-Y1083 PolarHBondContact O-N 3.11Å; S1080-Y1083 VanDerWaalsContact OG-CD2 3.26Å; S1080-Y1083 WeakPolarHBondContact OG-CD2 3.37Å; S1080-Y1083 PolarHBondContact OG-N 3.33Å; S1080-Y1083 VanDerWaalsContact OG-N 3.13Å
1081K40.3Very low42.1Very low170 Ų17055 Ų5574%0.73928%0.283SS*.THydrogen-bonded Turntrans-54.3-19.5173.4-68.7-169.9180-167.60114E1038E1038-K1081 IonicContact OE1-NZ 3.55Å
1082A36.4Very low41.5Very low81 Ų8158.2 Ų58.267%0.66930%0.297SS*.THydrogen-bonded Turntrans-111.6-16.3-178.500000114.7S1080S1080-A1082 PolarHBondContact O-N 2.94Å; S1080-A1082 PolarHBondContact OG-N 2.03Å
1083Y36Very low41.6Very low164 Ų16452.3 Ų52.364%0.64328%0.275SS*.EExtended strand (participates in β ladder)trans-132.9123.4-169.8-59.9-71.3000111.6I1079 S1080I1079-Y1083 WeakPolarHBondContact CA-O 3.47Å; I1079-Y1083 PolarHBondContact N-O 2.82Å; S1080-Y1083 PolarHBondContact N-O 3.12Å; S1080-Y1083 PolarHBondContact O-N 3.11Å; S1080-Y1083 VanDerWaalsContact OG-CD2 3.26Å; S1080-Y1083 WeakPolarHBondContact OG-CD2 3.37Å; S1080-Y1083 PolarHBondContact OG-N 3.33Å; S1080-Y1083 VanDerWaalsContact OG-N 3.13Å
1084S41.3Very low41.6Very low45 Ų4556.2 Ų56.232%0.31530%0.295SS..EExtended strand (participates in β ladder)trans-125.6130.5171.9-54.60000110I1077I1077-S1084 CarbonylContact O-C 3.58Å; I1077-S1084 VanDerWaalsContact O-CA 3.3Å; I1077-S1084 WeakPolarHBondContact O-CA 3.26Å
1085L36.3Very low41.7Very low74 Ų7456.6 Ų56.639%0.38730%0.297SS..EExtended strand (participates in β ladder)trans-89.1133.8173.4-163.283.3000109.3I1076 I1077 I1079 F1193I1076-L1085 WeakPolarHBondContact CA-O 3.27Å; I1077-L1085 HydrophobicContact CB-CB 4.37Å; I1077-L1085 PolarHBondContact N-O 3.48Å; I1077-L1085 PolarHBondContact O-N 3.28Å; I1079-L1085 HydrophobicContact CD1-CB 3.95Å; L1085-F1193 HydrophobicContact CD1-CD1 4.25Å; L1085-F1193 HydrophobicContact CD1-CE1 4.09Å
1086C41.5Very low42.1Very low19 Ų1955.4 Ų55.413%0.12829%0.289CS..EExtended strand (participates in β ladder)trans-124.1125.5-178.9-162.70000109L1074 S1075 F1194L1074-C1086 WeakPolarHBondContact CD2-SG 3.5Å; S1075-C1086 CarbonylContact O-C 3.58Å; S1075-C1086 WeakPolarHBondContact O-CA 3.47Å; C1086-F1194 HydrophobicContact CB-CE1 4.01Å
1087S40.5Very low42.8Very low10 Ų1055.2 Ų55.27%0.0729%0.29CS..EExtended strand (participates in β ladder)trans-129138.6-178.4177.90000111.9L1074 S1075L1074-S1087 WeakPolarHBondContact CA-O 3.44Å; S1075-S1087 PolarHBondContact N-O 3.31Å; S1075-S1087 PolarHBondContact O-N 2.76Å; S1075-S1087 WeakPolarHBondContact OG-CB 3.32Å; S1075-S1087 PolarHBondContact OG-O 3.27Å
1088M43.9Very low43.6Very low18 Ų1853 Ų539%0.08928%0.279CS..EExtended strand (participates in β ladder)trans-94.4139.4179-65.6-176.6-166.100111.6F1056 F1071 L1074 F1194F1056-M1088 HydrophobicContact CD1-CE 3.79Å; F1056-M1088 HydrophobicContact CE1-CE 2.95Å; F1056-M1088 HydrophobicContact CE1-SD 3.63Å; F1056-M1088 HydrophobicContact CE2-CE 4.38Å; F1056-M1088 HydrophobicContact CZ-CE 3.31Å; F1056-M1088 HydrophobicContact CZ-SD 3.76Å; F1071-M1088 HydrophobicContact CD2-CB 4.33Å; F1071-M1088 HydrophobicContact CE2-CB 3.9Å; F1071-M1088 HydrophobicContact CE2-CG 3.86Å; F1071-M1088 HydrophobicContact CE2-SD 4.23Å; L1074-M1088 HydrophobicContact CD2-CG 3.8Å; M1088-F1194 HydrophobicContact CE-CD1 3.55Å; M1088-F1194 HydrophobicContact CE-CD2 3.57Å; M1088-F1194 HydrophobicContact CE-CE1 3.52Å; M1088-F1194 HydrophobicContact CE-CE2 3.58Å; M1088-F1194 HydrophobicContact CE-CG 3.59Å; M1088-F1194 HydrophobicContact CE-CZ 3.56Å; M1088-F1194 HydrophobicContact CG-CD1 4.08Å; M1088-F1194 HydrophobicContact CG-CE1 4.37Å; M1088-F1194 HydrophobicContact SD-CD1 4.42Å; M1088-F1194 HydrophobicContact SD-CG 4.46Å
1089I42.7Very low44.6Very low66 Ų6653.9 Ų53.934%0.33828%0.284SS..EExtended strand (participates in β ladder)trans-108.2124.9178.5-55.9177.6000109F1000 Y1072 G1073F1000-I1089 HydrophobicContact CE2-CD1 3.63Å; F1000-I1089 HydrophobicContact CZ-CD1 4.34Å; Y1072-I1089 PolarHBondContact N-O 3.32Å; G1073-I1089 PolarHBondContact O-N 3.39Å
1090T50.1Low45.6Very low45 Ų4553.3 Ų53.328%0.27628%0.281SS..EExtended strand (participates in β ladder)trans-130.6171.2-175.1640000112.9K1070K1070-T1090 CarbonylContact O-C 3.57Å; K1070-T1090 WeakPolarHBondContact O-CA 3.5Å; K1070-T1090 WeakPolarHBondContact O-CB 3.38Å
1091E46.4Very low46.4Very low49 Ų4951.4 Ų51.423%0.22927%0.267CS..  trans-60.7146.6171.9-167.1-178.3-176.900113V1069 K1070 Y1072 K1166V1069-E1091 HydrophobicContact CG1-CB 4.11Å; K1070-E1091 HydrophobicContact CB-CB 4.22Å; K1070-E1091 PolarHBondContact O-N 2.82Å; Y1072-E1091 HydrophobicContact CE2-CB 4.18Å; E1091-K1166 IonicContact OE1-NZ 3.6Å; E1091-K1166 PolarHBondContact OE1-NZ 3.44Å; E1091-K1166 IonicContact OE2-NZ 2.82Å; E1091-K1166 PolarHBondContact OE2-NZ 3.21Å
1092F44.4Very low47.1Very low100 Ų10044.1 Ų44.144%0.43924%0.236SC..  trans-100.3132.8-178179.2-102.9000111.8I1094F1092-I1094 HydrophobicContact CE1-CB 4.18Å; F1092-I1094 HydrophobicContact CE1-CG1 4.32Å
1093C49.7Very low48Very low9 Ų945.5 Ų45.56%0.06123%0.226CC..  trans-120.3111.9178.9-66.30000110.2N1095 G1096 F1158 L1159C1093-N1095 PolarHBondContact O-N 2.86Å; C1093-G1096 PolarHBondContact O-N 3.23Å; C1093-G1096 VanDerWaalsContact O-N 3.13Å; C1093-F1158 HydrophobicContact CB-CB 3.77Å; C1093-F1158 HydrophobicContact CB-CD1 4.1Å; C1093-F1158 HydrophobicContact CB-CG 4.4Å; C1093-L1159 CarbonylContact C-O 3.56Å; C1093-L1159 WeakPolarHBondContact CB-O 3.49Å
1094I45.2Very low48.7Very low82 Ų8240.6 Ų40.642%0.42121%0.211SC..THydrogen-bonded Turntrans-64.9-32.9-166.5-161.7169.3000115F1092 G1096F1092-I1094 HydrophobicContact CE1-CB 4.18Å; F1092-I1094 HydrophobicContact CE1-CG1 4.32Å; I1094-G1096 PolarHBondContact O-N 2.73Å
1095N48.2Very low49.1Very low12 Ų1239.4 Ų39.46%0.06420%0.202CC..THydrogen-bonded Turntrans-85.52.6-179.1-78.4-44000112.2C1093 L1159 D1160C1093-N1095 PolarHBondContact O-N 2.86Å; N1095-L1159 HydrophobicContact CB-CB 3.5Å; N1095-L1159 VanDerWaalsContact CB-CB 3.5Å; N1095-L1159 WeakPolarHBondContact CB-O 3.44Å; N1095-L1159 PolarHBondContact N-O 3.08Å; N1095-D1160 PolarHBondContact ND2-O 3.18Å
1096G51.6Low49.5Very low3 Ų338.9 Ų38.93%0.03120%0.199CC..  trans62.7-151.3-178.600000111.6C1093 I1094 F1158 L1159C1093-G1096 PolarHBondContact O-N 3.23Å; C1093-G1096 VanDerWaalsContact O-N 3.13Å; I1094-G1096 PolarHBondContact O-N 2.73Å; G1096-F1158 CarbonylContact O-C 3.59Å; G1096-F1158 VanDerWaalsContact O-CA 3.24Å; G1096-F1158 WeakPolarHBondContact O-CA 3.41Å; G1096-L1159 PolarHBondContact O-N 2.95Å
1097S56Low49.7Very low15 Ų1541.4 Ų41.411%0.10521%0.209CC..BIsolated β-bridgetrans-77.1156.1175.245.70000112.5D1099 M1100 Y1101 K1155 V1157S1097-D1099 WeakPolarHBondContact CB-OD1 3.41Å; S1097-D1099 PolarHBondContact O-N 3.08Å; S1097-D1099 PolarHBondContact OG-OD1 2.91Å; S1097-M1100 WeakPolarHBondContact O-CB 3.46Å; S1097-M1100 PolarHBondContact O-N 3.5Å; S1097-M1100 VanDerWaalsContact O-N 3.11Å; S1097-Y1101 PolarHBondContact O-N 3.25Å; S1097-K1155 WeakPolarHBondContact CB-O 3.39Å; S1097-V1157 CarbonylContact C-O 3.59Å; S1097-V1157 VanDerWaalsContact CA-O 3.24Å; S1097-V1157 WeakPolarHBondContact CA-O 3.32Å
1098V58.5Low49.7Very low1 Ų143 Ų431%0.00623%0.228CC..Hα-helixtrans-57.2-36.3178.4172.50000112M1100 Y1101 L1102 M1131 S1154 V1157 L1159 L1307V1098-M1100 PolarHBondContact O-N 3.41Å; V1098-Y1101 PolarHBondContact O-N 3.1Å; V1098-L1102 HydrophobicContact CG1-CD1 3.87Å; V1098-L1102 HydrophobicContact CG1-CG 4.19Å; V1098-L1102 WeakPolarHBondContact O-CB 3.4Å; V1098-L1102 WeakPolarHBondContact O-CG 2.97Å; V1098-L1102 PolarHBondContact O-N 2.99Å; V1098-M1131 HydrophobicContact CG1-CE 4.28Å; V1098-M1131 HydrophobicContact CG2-CE 3.85Å; V1098-S1154 WeakPolarHBondContact CB-O 3.21Å; V1098-S1154 PolarHBondContact N-O 2.9Å; V1098-S1154 VanDerWaalsContact N-O 3.08Å; V1098-V1157 HydrophobicContact CG2-CB 3.85Å; V1098-V1157 HydrophobicContact CG2-CG1 3.67Å; V1098-V1157 PolarHBondContact N-O 3.45Å; V1098-L1159 HydrophobicContact CG2-CD1 3.95Å; V1098-L1159 HydrophobicContact CG2-CD2 4.19Å; V1098-L1159 HydrophobicContact CG2-CG 3.88Å; V1098-L1307 HydrophobicContact CG1-CD2 3.98Å
1099D56.6Low49.4Very low46 Ų4646 Ų4625%0.24624%0.244CC..Hα-helixtrans-62.8-42.517777-36.9000112S1097 L1102 K1103 S1154 K1155S1097-D1099 WeakPolarHBondContact CB-OD1 3.41Å; S1097-D1099 PolarHBondContact O-N 3.08Å; S1097-D1099 PolarHBondContact OG-OD1 2.91Å; D1099-L1102 PolarHBondContact O-N 2.96Å; D1099-K1103 WeakPolarHBondContact O-CB 3.38Å; D1099-K1103 PolarHBondContact O-N 3.33Å; D1099-S1154 PolarHBondContact N-O 3.43Å; D1099-K1155 HydrophobicContact CB-CG 4.34Å; D1099-K1155 VanDerWaalsContact CG-CG 3.47Å; D1099-K1155 WeakPolarHBondContact OD2-CE 3.5Å; D1099-K1155 WeakPolarHBondContact OD2-CG 3.38Å
1100M54.3Low49.1Very low67 Ų6748 Ų4833%0.3325%0.252SS..Hα-helixtrans-66.6-42.3178-171.5167.8175.800110.2S1097 V1098 N1104 N1201S1097-M1100 WeakPolarHBondContact O-CB 3.46Å; S1097-M1100 PolarHBondContact O-N 3.5Å; S1097-M1100 VanDerWaalsContact O-N 3.11Å; V1098-M1100 PolarHBondContact O-N 3.41Å; M1100-N1104 PolarHBondContact O-N 2.85Å; M1100-N1104 PolarHBondContact O-ND2 3.3Å; M1100-N1201 HydrophobicContact CE-CB 4.37Å
1101Y54.9Low48.4Very low4 Ų447.5 Ų47.52%0.01625%0.25CC..Hα-helixtrans-60.3-53.2173.4175.7-102.6000112.6S1097 V1098 K1103 N1104 V1105 P1111 F1123 L1159 F1163S1097-Y1101 PolarHBondContact O-N 3.25Å; V1098-Y1101 PolarHBondContact O-N 3.1Å; Y1101-K1103 VanDerWaalsContact C-N 3.29Å; Y1101-K1103 PolarHBondContact O-N 2.75Å; Y1101-N1104 WeakPolarHBondContact O-CB 3.48Å; Y1101-N1104 PolarHBondContact O-N 3.46Å; Y1101-V1105 HydrophobicContact CD1-CG2 4.32Å; Y1101-V1105 HydrophobicContact CD2-CG2 4.35Å; Y1101-V1105 HydrophobicContact CE1-CG2 3.83Å; Y1101-V1105 HydrophobicContact CE2-CG2 3.82Å; Y1101-V1105 WeakPolarHBondContact O-CG2 3.23Å; Y1101-V1105 PolarHBondContact O-N 3.01Å; Y1101-P1111 HydrophobicContact CE2-CB 3.47Å; Y1101-P1111 VanDerWaalsContact CE2-CB 3.47Å; Y1101-F1123 AromaticContact CE1-CD2 3.82Å; Y1101-F1123 HydrophobicContact CE1-CD2 3.82Å; Y1101-F1123 HydrophobicContact CE1-CE2 4.39Å; Y1101-L1159 HydrophobicContact CD1-CD1 3.85Å; Y1101-L1159 HydrophobicContact CD2-CD1 4.31Å; Y1101-L1159 HydrophobicContact CG-CD1 3.66Å; Y1101-F1163 AromaticContact CD2-CE1 3.9Å; Y1101-F1163 HydrophobicContact CD2-CE1 3.9Å; Y1101-F1163 HydrophobicContact CE1-CE1 4.3Å; Y1101-F1163 HydrophobicContact CE2-CD1 4.23Å; Y1101-F1163 AromaticContact CE2-CE1 3.19Å; Y1101-F1163 HydrophobicContact CE2-CE1 3.19Å; Y1101-F1163 AromaticContact CE2-CZ 3.66Å; Y1101-F1163 HydrophobicContact CE2-CZ 3.66Å; Y1101-F1163 AromaticContact CZ-CE1 3.41Å; Y1101-F1163 VanDerWaalsContact CZ-CE1 3.41Å; Y1101-F1163 AromaticContact CZ-CZ 3.74Å; Y1101-F1163 WeakPolarHBondContact OH-CE1 3.49Å; Y1101-F1163 VanDerWaalsContact OH-CZ 3.31Å; Y1101-F1163 WeakPolarHBondContact OH-CZ 3.3Å
1102L55.7Low48.1Very low16 Ų1648.2 Ų48.28%0.08425%0.254CS..Hα-helixtrans-60.9-39.6-179.9-73.4173.5000111.9V1098 D1099 N1104 V1105 L1106 F1123 A1310 L1314V1098-L1102 HydrophobicContact CG1-CD1 3.87Å; V1098-L1102 HydrophobicContact CG1-CG 4.19Å; V1098-L1102 WeakPolarHBondContact O-CB 3.4Å; V1098-L1102 WeakPolarHBondContact O-CG 2.97Å; V1098-L1102 PolarHBondContact O-N 2.99Å; D1099-L1102 PolarHBondContact O-N 2.96Å; L1102-N1104 VanDerWaalsContact C-N 3.3Å; L1102-N1104 PolarHBondContact O-N 3.04Å; L1102-V1105 PolarHBondContact O-N 3.31Å; L1102-L1106 WeakPolarHBondContact O-CB 3.46Å; L1102-L1106 WeakPolarHBondContact O-CG 3.33Å; L1102-L1106 PolarHBondContact O-N 3.09Å; L1102-F1123 HydrophobicContact CD2-CZ 4.41Å; L1102-A1310 HydrophobicContact CD1-CB 3.65Å; L1102-A1310 HydrophobicContact CD2-CB 3.86Å; L1102-A1310 HydrophobicContact CG-CB 4.36Å; L1102-L1314 HydrophobicContact CD2-CD1 4.27Å
1103K54.3Low47.6Very low110 Ų11045 Ų4548%0.47824%0.243SC..Hα-helixtrans-60.8-40.2175-171177-178.1-175.20111.4D1099 Y1101 Q1107D1099-K1103 WeakPolarHBondContact O-CB 3.38Å; D1099-K1103 PolarHBondContact O-N 3.33Å; Y1101-K1103 VanDerWaalsContact C-N 3.29Å; Y1101-K1103 PolarHBondContact O-N 2.75Å; K1103-Q1107 WeakPolarHBondContact O-CB 3.46Å; K1103-Q1107 WeakPolarHBondContact O-CG 3.47Å; K1103-Q1107 PolarHBondContact O-N 3.27Å
1104N50.9Low46.8Very low61 Ų6149.4 Ų49.433%0.32627%0.265SS..Hα-helixtrans-66.1-44.9175.9-70.3-18000111.8M1100 Y1101 L1102 Q1107 N1109M1100-N1104 PolarHBondContact O-N 2.85Å; M1100-N1104 PolarHBondContact O-ND2 3.3Å; Y1101-N1104 WeakPolarHBondContact O-CB 3.48Å; Y1101-N1104 PolarHBondContact O-N 3.46Å; L1102-N1104 VanDerWaalsContact C-N 3.3Å; L1102-N1104 PolarHBondContact O-N 3.04Å; N1104-Q1107 PolarHBondContact O-N 3.38Å; N1104-N1109 WeakPolarHBondContact O-CB 3.43Å; N1104-N1109 PolarHBondContact O-N 3.34Å; N1104-N1109 VanDerWaalsContact O-N 3.15Å
1105V50.2Low46.3Very low20 Ų2049.7 Ų49.712%0.12127%0.268CS..Hα-helixtrans-65.9-45.6-179.8179.90000112.2Y1101 L1102 Q1107 G1108 P1111 L1314Y1101-V1105 HydrophobicContact CD1-CG2 4.32Å; Y1101-V1105 HydrophobicContact CD2-CG2 4.35Å; Y1101-V1105 HydrophobicContact CE1-CG2 3.83Å; Y1101-V1105 HydrophobicContact CE2-CG2 3.82Å; Y1101-V1105 WeakPolarHBondContact O-CG2 3.23Å; Y1101-V1105 PolarHBondContact O-N 3.01Å; L1102-V1105 PolarHBondContact O-N 3.31Å; V1105-Q1107 PolarHBondContact O-N 2.99Å; V1105-G1108 PolarHBondContact O-N 2.89Å; V1105-P1111 HydrophobicContact CG2-CB 4.11Å; V1105-P1111 HydrophobicContact CG2-CG 4.34Å; V1105-L1314 HydrophobicContact CB-CD2 4.45Å; V1105-L1314 HydrophobicContact CG1-CD2 3.51Å
1106L44.2Very low46Very low63 Ų6353.9 Ų53.933%0.3329%0.29SS..Hα-helixtrans-62.4-33.3178.3-74.4170.9000112L1102 G1108 M1313 L1314L1102-L1106 WeakPolarHBondContact O-CB 3.46Å; L1102-L1106 WeakPolarHBondContact O-CG 3.33Å; L1102-L1106 PolarHBondContact O-N 3.09Å; L1106-G1108 PolarHBondContact O-N 3.45Å; L1106-M1313 HydrophobicContact CD1-CE 4.22Å; L1106-M1313 HydrophobicContact CD2-CB 4.14Å; L1106-L1314 HydrophobicContact CD2-CD2 3.85Å; L1106-L1314 HydrophobicContact CD2-CG 4.22Å; L1106-L1314 HydrophobicContact CG-CD2 4.38Å
1107Q45.3Very low45.3Very low72 Ų7259.9 Ų59.934%0.33632%0.322SS..THydrogen-bonded Turntrans-73.3-3.9176-72.2-179.523.200114K1103 N1104 V1105 N1109K1103-Q1107 WeakPolarHBondContact O-CB 3.46Å; K1103-Q1107 WeakPolarHBondContact O-CG 3.47Å; K1103-Q1107 PolarHBondContact O-N 3.27Å; N1104-Q1107 PolarHBondContact O-N 3.38Å; V1105-Q1107 PolarHBondContact O-N 2.99Å; Q1107-N1109 VanDerWaalsContact C-N 3.3Å
1108G41.1Very low44.4Very low45 Ų4562 Ų6246%0.46433%0.332SS..THydrogen-bonded Turntrans80.78.9-179.500000114V1105 L1106V1105-G1108 PolarHBondContact O-N 2.89Å; L1106-G1108 PolarHBondContact O-N 3.45Å
1109N37.7Very low43.2Very low81 Ų8168 Ų6843%0.43336%0.36SS..PPolyproline II helixtrans-74.2131.3172.2-63.2-11.8000107.7N1104 Q1107N1104-N1109 WeakPolarHBondContact O-CB 3.43Å; N1104-N1109 PolarHBondContact O-N 3.34Å; N1104-N1109 VanDerWaalsContact O-N 3.15Å; Q1107-N1109 VanDerWaalsContact C-N 3.3Å
1110Q36.9Very low42.3Very low107 Ų10770.1 Ų70.150%0.537%0.374SS..PPolyproline II helixtrans-62126.5179.8-70.4-166.1-14.400109.5
1111P35.1Very low41.7Very low34 Ų3468.1 Ų68.122%0.22136%0.364CS..PPolyproline II helixtrans-62.6140.4174.624.1-31.3000110.6Y1101 V1105 T1113 F1163Y1101-P1111 HydrophobicContact CE2-CB 3.47Å; Y1101-P1111 VanDerWaalsContact CE2-CB 3.47Å; V1105-P1111 HydrophobicContact CG2-CB 4.11Å; V1105-P1111 HydrophobicContact CG2-CG 4.34Å; P1111-T1113 PolarHBondContact O-N 3.02Å; P1111-F1163 HydrophobicContact CB-CZ 4.24Å
1112I40.4Very low41.3Very low64 Ų6471.7 Ų71.733%0.32839%0.39SS..SBendtrans-75.176.4-178.7-51164.4000107.5
1113T34Very low41Very low33 Ų3371.7 Ų71.720%0.20239%0.389CS..  trans177.2131.7152.337.20000112.1P1111 G1161 F1163P1111-T1113 PolarHBondContact O-N 3.02Å; T1113-G1161 WeakPolarHBondContact CG2-O 3.46Å; T1113-F1163 WeakPolarHBondContact OG1-CE2 3.35Å; T1113-F1163 WeakPolarHBondContact OG1-CZ 3.5Å
1114L32.9Very low40.8Very low101 Ų10169.4 Ų69.453%0.52938%0.383SS..BIsolated β-bridgetrans-97.6142168.1-71.588.6000108.7N1118L1114-N1118 HydrophobicContact CD2-CB 3.88Å
1115D33.8Very low40.9Very low88 Ų8869.2 Ų69.247%0.47138%0.381SS..  trans-72.2165.7167.2-137.4-28000109.7N1117 N1118 H1119 I1121D1115-N1117 PolarHBondContact O-N 3.48Å; D1115-N1118 PolarHBondContact O-N 3.16Å; D1115-H1119 PolarHBondContact N-O 2.99Å; D1115-H1119 VanDerWaalsContact N-O 3.16Å; D1115-I1121 HydrophobicContact CB-CD1 3.66Å; D1115-I1121 HydrophobicContact CB-CG1 3.5Å; D1115-I1121 VanDerWaalsContact CB-CG1 3.5Å
1116N41.5Very low41.2Very low101 Ų10172.3 Ų72.354%0.5440%0.404SS..THydrogen-bonded Turntrans-50.7-20.2-176.8-75.5-31.3000115.2I1212N1116-I1212 WeakPolarHBondContact OD1-CG2 3.28Å
1117N37.3Very low42.1Very low129 Ų12970.8 Ų70.869%0.6940%0.395SS*.THydrogen-bonded Turntrans-96.416.2178.2-66.4-20.7000113.9D1115 H1119D1115-N1117 PolarHBondContact O-N 3.48Å; N1117-H1119 WeakPolarHBondContact CB-ND1 3.28Å; N1117-H1119 PolarHBondContact O-N 3.35Å; N1117-H1119 PolarHBondContact O-ND1 3.32Å
1118N36Very low42.9Very low58 Ų5867.9 Ų67.931%0.3138%0.382SS..SBendtrans53.721.7-172.9-76.61.8000114.3L1114 D1115 H1209L1114-N1118 HydrophobicContact CD2-CB 3.88Å; D1115-N1118 PolarHBondContact O-N 3.16Å; N1118-H1209 PolarHBondContact ND2-ND1 2.9Å
1119H35.2Very low43.7Very low129 Ų12967.2 Ų67.260%0.59737%0.368SS*.  trans-80.9129.3169.7-71.161.7000106.9D1115 N1117 I1121D1115-H1119 PolarHBondContact N-O 2.99Å; D1115-H1119 VanDerWaalsContact N-O 3.16Å; N1117-H1119 WeakPolarHBondContact CB-ND1 3.28Å; N1117-H1119 PolarHBondContact O-N 3.35Å; N1117-H1119 PolarHBondContact O-ND1 3.32Å; H1119-I1121 PolarHBondContact O-N 3.27Å
1120T37.8Very low45.2Very low90 Ų9068 Ų6855%0.55237%0.367SS*.BIsolated β-bridgetrans-55.1113.2165.649.70000106.5S1122T1120-S1122 VanDerWaalsContact C-N 3.27Å; T1120-S1122 PolarHBondContact O-N 3.35Å
1121I41.1Very low46.7Very low24 Ų2463 Ų6312%0.12334%0.344CS..  trans-65.198.2172.9-67.6176.2000105.6D1115 H1119 Q1127 F1163D1115-I1121 HydrophobicContact CB-CD1 3.66Å; D1115-I1121 HydrophobicContact CB-CG1 3.5Å; D1115-I1121 VanDerWaalsContact CB-CG1 3.5Å; H1119-I1121 PolarHBondContact O-N 3.27Å; I1121-Q1127 HydrophobicContact CG2-CG 4.49Å; I1121-F1163 HydrophobicContact CB-CE2 4.15Å; I1121-F1163 HydrophobicContact CD1-CE2 4.41Å; I1121-F1163 HydrophobicContact CG2-CD2 4.11Å; I1121-F1163 HydrophobicContact CG2-CE2 3.81Å
1122S45.4Very low48.3Very low79 Ų7962.6 Ų62.655%0.55234%0.34SS*.  trans-70.1135.416953.10000107.3T1120 N1124 Q1127T1120-S1122 VanDerWaalsContact C-N 3.27Å; T1120-S1122 PolarHBondContact O-N 3.35Å; S1122-N1124 VanDerWaalsContact C-N 3.3Å; S1122-N1124 WeakPolarHBondContact O-CB 3.31Å; S1122-N1124 PolarHBondContact O-N 3.42Å; S1122-Q1127 PolarHBondContact O-OE1 3.4Å
1123F49.2Very low49.7Very low17 Ų1763 Ų638%0.07534%0.342CS..  trans-54100.6167.7-171.5-96000107.5Y1101 L1102 T1128 M1131 L1307 L1314Y1101-F1123 AromaticContact CE1-CD2 3.82Å; Y1101-F1123 HydrophobicContact CE1-CD2 3.82Å; Y1101-F1123 HydrophobicContact CE1-CE2 4.39Å; L1102-F1123 HydrophobicContact CD2-CZ 4.41Å; F1123-T1128 HydrophobicContact CE1-CG2 4.39Å; F1123-T1128 WeakPolarHBondContact CE1-OG1 3.43Å; F1123-T1128 HydrophobicContact CZ-CG2 4.13Å; F1123-T1128 VanDerWaalsContact CZ-OG1 3.28Å; F1123-T1128 WeakPolarHBondContact CZ-OG1 3.35Å; F1123-M1131 HydrophobicContact CE2-CE 4.19Å; F1123-M1131 HydrophobicContact CE2-SD 3.73Å; F1123-L1307 HydrophobicContact CZ-CD2 4.19Å; F1123-L1314 HydrophobicContact CB-CD1 4.13Å; F1123-L1314 HydrophobicContact CD1-CD1 3.57Å; F1123-L1314 HydrophobicContact CE1-CD1 4.28Å; F1123-L1314 HydrophobicContact CG-CD1 4.09Å
1124N51.7Low51.5Low62 Ų6262.7 Ų62.733%0.33234%0.338SS..  trans-114.4161-17469.434.3000109.1S1122 S1126 Q1127 T1128S1122-N1124 VanDerWaalsContact C-N 3.3Å; S1122-N1124 WeakPolarHBondContact O-CB 3.31Å; S1122-N1124 PolarHBondContact O-N 3.42Å; N1124-S1126 PolarHBondContact O-N 3.29Å; N1124-S1126 VanDerWaalsContact O-N 3.08Å; N1124-S1126 WeakPolarHBondContact OD1-CA 3.49Å; N1124-S1126 VanDerWaalsContact OD1-CB 3.3Å; N1124-S1126 WeakPolarHBondContact OD1-CB 3.27Å; N1124-S1126 PolarHBondContact OD1-N 2.98Å; N1124-S1126 VanDerWaalsContact OD1-N 3.11Å; N1124-Q1127 WeakPolarHBondContact O-CB 3.41Å; N1124-Q1127 PolarHBondContact O-N 3.01Å; N1124-Q1127 WeakPolarHBondContact OD1-CG 3.31Å; N1124-Q1127 PolarHBondContact OD1-N 2.95Å; N1124-T1128 PolarHBondContact O-N 2.78Å; N1124-T1128 PolarHBondContact O-OG1 3.38Å
1125L52.6Low53.3Low56 Ų5658 Ų5829%0.29331%0.314SS..Hα-helixtrans-53.2-35.9-178.3-173.667.6000112.4T1128 I1129 L1251L1125-T1128 PolarHBondContact O-N 3.02Å; L1125-I1129 HydrophobicContact CG-CD1 4.08Å; L1125-I1129 VanDerWaalsContact O-CG1 3.22Å; L1125-I1129 WeakPolarHBondContact O-CG1 3.28Å; L1125-I1129 PolarHBondContact O-N 2.65Å; L1125-L1251 HydrophobicContact CD2-CD2 4.29Å
1126S55.2Low54.9Low86 Ų8656 Ų5660%0.60130%0.303SS*.Hα-helixtrans-64.3-41.3177.7179.70000112.5N1124 I1129 K1130N1124-S1126 PolarHBondContact O-N 3.29Å; N1124-S1126 VanDerWaalsContact O-N 3.08Å; N1124-S1126 WeakPolarHBondContact OD1-CA 3.49Å; N1124-S1126 VanDerWaalsContact OD1-CB 3.3Å; N1124-S1126 WeakPolarHBondContact OD1-CB 3.27Å; N1124-S1126 PolarHBondContact OD1-N 2.98Å; N1124-S1126 VanDerWaalsContact OD1-N 3.11Å; S1126-I1129 PolarHBondContact O-N 3.03Å; S1126-K1130 PolarHBondContact O-N 3.45Å
1127Q63.2Low56.3Low31 Ų3153.2 Ų53.215%0.14529%0.291CS..Hα-helixtrans-67.8-42.7175.4-68.6-160-52.700112.3I1121 S1122 N1124 I1129 K1130 M1131I1121-Q1127 HydrophobicContact CG2-CG 4.49Å; S1122-Q1127 PolarHBondContact O-OE1 3.4Å; N1124-Q1127 WeakPolarHBondContact O-CB 3.41Å; N1124-Q1127 PolarHBondContact O-N 3.01Å; N1124-Q1127 WeakPolarHBondContact OD1-CG 3.31Å; N1124-Q1127 PolarHBondContact OD1-N 2.95Å; Q1127-I1129 VanDerWaalsContact C-N 3.25Å; Q1127-I1129 PolarHBondContact O-N 2.85Å; Q1127-K1130 WeakPolarHBondContact O-CB 3.38Å; Q1127-K1130 PolarHBondContact O-N 3.13Å; Q1127-K1130 VanDerWaalsContact O-N 3.11Å; Q1127-M1131 WeakPolarHBondContact O-CG 3.46Å; Q1127-M1131 PolarHBondContact O-N 2.87Å
1128T62.7Low57.8Low10 Ų1047.1 Ų47.16%0.06126%0.258CS..Hα-helixtrans-57.9-42.1175.2-49.20000110.6F1123 N1124 L1125 M1131 L1132 L1307F1123-T1128 HydrophobicContact CE1-CG2 4.39Å; F1123-T1128 WeakPolarHBondContact CE1-OG1 3.43Å; F1123-T1128 HydrophobicContact CZ-CG2 4.13Å; F1123-T1128 VanDerWaalsContact CZ-OG1 3.28Å; F1123-T1128 WeakPolarHBondContact CZ-OG1 3.35Å; N1124-T1128 PolarHBondContact O-N 2.78Å; N1124-T1128 PolarHBondContact O-OG1 3.38Å; L1125-T1128 PolarHBondContact O-N 3.02Å; T1128-M1131 PolarHBondContact O-N 3.06Å; T1128-L1132 HydrophobicContact CG2-CD1 4.42Å; T1128-L1132 VanDerWaalsContact O-CG 3.29Å; T1128-L1132 WeakPolarHBondContact O-CG 3.44Å; T1128-L1132 PolarHBondContact O-N 3.08Å; T1128-L1307 HydrophobicContact CG2-CB 4.29Å
1129I58.2Low59.3Low32 Ų3244.7 Ų44.716%0.16425%0.246CC..Hα-helixtrans-65-43.1175.2-68.6168.1000111.5L1125 S1126 Q1127 M1131 L1132 L1133 M1254L1125-I1129 HydrophobicContact CG-CD1 4.08Å; L1125-I1129 VanDerWaalsContact O-CG1 3.22Å; L1125-I1129 WeakPolarHBondContact O-CG1 3.28Å; L1125-I1129 PolarHBondContact O-N 2.65Å; S1126-I1129 PolarHBondContact O-N 3.03Å; Q1127-I1129 VanDerWaalsContact C-N 3.25Å; Q1127-I1129 PolarHBondContact O-N 2.85Å; I1129-M1131 VanDerWaalsContact C-N 3.35Å; I1129-M1131 PolarHBondContact O-N 3.14Å; I1129-L1132 PolarHBondContact O-N 3.09Å; I1129-L1133 HydrophobicContact CG2-CD1 4.04Å; I1129-L1133 HydrophobicContact CG2-CG 4.49Å; I1129-L1133 WeakPolarHBondContact O-CG 3.46Å; I1129-L1133 PolarHBondContact O-N 3.02Å; I1129-M1254 HydrophobicContact CD1-CE 3.38Å; I1129-M1254 HydrophobicContact CD1-SD 3.58Å; I1129-M1254 VanDerWaalsContact CD1-SD 3.58Å
1130K68Low60.7Low96 Ų9644 Ų4442%0.41724%0.242SC..Hα-helixtrans-60.1-44.3176-173.7-172.4172.1-159.40111.6S1126 Q1127 L1133 Q1134 N1164S1126-K1130 PolarHBondContact O-N 3.45Å; Q1127-K1130 WeakPolarHBondContact O-CB 3.38Å; Q1127-K1130 PolarHBondContact O-N 3.13Å; Q1127-K1130 VanDerWaalsContact O-N 3.11Å; K1130-L1133 PolarHBondContact O-N 3.46Å; K1130-Q1134 WeakPolarHBondContact O-CG 3.48Å; K1130-Q1134 PolarHBondContact O-N 3.31Å; K1130-N1164 WeakPolarHBondContact CE-OD1 3.34Å; K1130-N1164 PolarHBondContact NZ-OD1 3.43Å
1131M69.6Low62.3Low3 Ų342.2 Ų42.22%0.01523%0.226CC..Hα-helixtrans-60.6-47.8176.4-72.1175.751.500111.1V1098 F1123 Q1127 T1128 I1129 L1133 Q1134 I1135 L1159 C1165 L1307V1098-M1131 HydrophobicContact CG1-CE 4.28Å; V1098-M1131 HydrophobicContact CG2-CE 3.85Å; F1123-M1131 HydrophobicContact CE2-CE 4.19Å; F1123-M1131 HydrophobicContact CE2-SD 3.73Å; Q1127-M1131 WeakPolarHBondContact O-CG 3.46Å; Q1127-M1131 PolarHBondContact O-N 2.87Å; T1128-M1131 PolarHBondContact O-N 3.06Å; I1129-M1131 VanDerWaalsContact C-N 3.35Å; I1129-M1131 PolarHBondContact O-N 3.14Å; M1131-L1133 VanDerWaalsContact C-N 3.33Å; M1131-L1133 PolarHBondContact O-N 2.77Å; M1131-Q1134 PolarHBondContact O-N 2.93Å; M1131-I1135 VanDerWaalsContact O-CG1 3.25Å; M1131-I1135 WeakPolarHBondContact O-CG1 3.46Å; M1131-I1135 PolarHBondContact O-N 3.01Å; M1131-L1159 HydrophobicContact CE-CD1 4.49Å; M1131-L1159 HydrophobicContact CE-CD2 3.87Å; M1131-L1159 HydrophobicContact SD-CD2 4.2Å; M1131-C1165 WeakPolarHBondContact CB-SG 3.33Å; M1131-C1165 VanDerWaalsContact CG-SG 3.5Å; M1131-L1307 HydrophobicContact CE-CD2 4.44Å
1132L68.1Low63.4Low26 Ų2641.1 Ų41.114%0.13622%0.22CC..Hα-helixtrans-59.4-41.7176.7-73.5170000112.3T1128 I1129 I1135 L1136 F1300 I1304 L1307T1128-L1132 HydrophobicContact CG2-CD1 4.42Å; T1128-L1132 VanDerWaalsContact O-CG 3.29Å; T1128-L1132 WeakPolarHBondContact O-CG 3.44Å; T1128-L1132 PolarHBondContact O-N 3.08Å; I1129-L1132 PolarHBondContact O-N 3.09Å; L1132-I1135 PolarHBondContact O-N 2.88Å; L1132-L1136 WeakPolarHBondContact O-CB 3.33Å; L1132-L1136 WeakPolarHBondContact O-CG 3.36Å; L1132-L1136 PolarHBondContact O-N 2.92Å; L1132-F1300 HydrophobicContact CB-CZ 4.31Å; L1132-F1300 HydrophobicContact CD2-CE2 3.79Å; L1132-F1300 HydrophobicContact CD2-CZ 3.73Å; L1132-I1304 HydrophobicContact CD2-CG1 3.7Å; L1132-L1307 HydrophobicContact CD2-CD1 3.74Å; L1132-L1307 HydrophobicContact CG-CD1 4.24Å
1133L70.1Confident64.1Low73 Ų7338 Ų3838%0.38220%0.198SC..Hα-helixtrans-64.9-38.6176.6-74.6169.2000112.7I1129 K1130 M1131 S1137 K1261I1129-L1133 HydrophobicContact CG2-CD1 4.04Å; I1129-L1133 HydrophobicContact CG2-CG 4.49Å; I1129-L1133 WeakPolarHBondContact O-CG 3.46Å; I1129-L1133 PolarHBondContact O-N 3.02Å; K1130-L1133 PolarHBondContact O-N 3.46Å; M1131-L1133 VanDerWaalsContact C-N 3.33Å; M1131-L1133 PolarHBondContact O-N 2.77Å; L1133-S1137 WeakPolarHBondContact O-CB 3.5Å; L1133-S1137 PolarHBondContact O-N 3.42Å; L1133-K1261 HydrophobicContact CD2-CD 4.4Å
1134Q72.5Confident64.6Low26 Ų2643.4 Ų43.412%0.12123%0.227CC..Hα-helixtrans-68.9-40.6177.6-75.3172.7-22.100112.3N1067 K1130 M1131 S1137 G1138 N1164 C1165N1067-Q1134 WeakPolarHBondContact ND2-CA 3.28Å; N1067-Q1134 PolarHBondContact ND2-O 3.2Å; K1130-Q1134 WeakPolarHBondContact O-CG 3.48Å; K1130-Q1134 PolarHBondContact O-N 3.31Å; M1131-Q1134 PolarHBondContact O-N 2.93Å; Q1134-S1137 PolarHBondContact O-N 2.73Å; Q1134-G1138 PolarHBondContact O-N 3.5Å; Q1134-N1164 PolarHBondContact NE2-OD1 3.4Å; Q1134-C1165 HydrophobicContact CB-CB 4.11Å
1135I70.7Confident65.1Low1 Ų143.8 Ų43.81%0.00523%0.229CC..Hα-helixtrans-62.6-46.9174.6-68.1168.8000110.4M1131 L1132 S1137 G1138 L1139 F1152 V1157 C1165 L1167 F1300 L1303M1131-I1135 VanDerWaalsContact O-CG1 3.25Å; M1131-I1135 WeakPolarHBondContact O-CG1 3.46Å; M1131-I1135 PolarHBondContact O-N 3.01Å; L1132-I1135 PolarHBondContact O-N 2.88Å; I1135-S1137 VanDerWaalsContact C-N 3.32Å; I1135-S1137 PolarHBondContact O-N 3.24Å; I1135-G1138 PolarHBondContact O-N 3.2Å; I1135-G1138 VanDerWaalsContact O-N 3.16Å; I1135-L1139 HydrophobicContact CG2-CD1 3.9Å; I1135-L1139 HydrophobicContact CG2-CG 4.38Å; I1135-L1139 WeakPolarHBondContact O-CG 3.33Å; I1135-L1139 PolarHBondContact O-N 2.93Å; I1135-F1152 HydrophobicContact CG2-CE1 3.63Å; I1135-F1152 HydrophobicContact CG2-CZ 3.64Å; I1135-V1157 HydrophobicContact CD1-CG1 3.74Å; I1135-V1157 HydrophobicContact CD1-CG2 4.09Å; I1135-V1157 HydrophobicContact CG1-CG1 3.99Å; I1135-V1157 HydrophobicContact CG1-CG2 4.47Å; I1135-C1165 HydrophobicContact CD1-CB 4.32Å; I1135-C1165 HydrophobicContact CG1-CB 3.75Å; I1135-L1167 HydrophobicContact CG1-CD2 4.2Å; I1135-L1167 HydrophobicContact CG2-CD2 4.31Å; I1135-F1300 HydrophobicContact CB-CE2 4.26Å; I1135-F1300 HydrophobicContact CG2-CD2 3.78Å; I1135-F1300 HydrophobicContact CG2-CE2 3.75Å; I1135-L1303 HydrophobicContact CD1-CD2 3.54Å; I1135-L1303 HydrophobicContact CG2-CD2 4.31Å
1136L66.2Low65.3Low48 Ų4843.9 Ų43.925%0.25124%0.235SC..Hα-helixtrans-56.3-45.9174.2-82.2164.6000111.8L1132 G1138 L1139 E1140 F1300L1132-L1136 WeakPolarHBondContact O-CB 3.33Å; L1132-L1136 WeakPolarHBondContact O-CG 3.36Å; L1132-L1136 PolarHBondContact O-N 2.92Å; L1136-G1138 VanDerWaalsContact C-N 3.34Å; L1136-G1138 PolarHBondContact O-N 2.78Å; L1136-L1139 PolarHBondContact O-N 2.76Å; L1136-E1140 VanDerWaalsContact O-CB 3.32Å; L1136-E1140 WeakPolarHBondContact O-CB 3.37Å; L1136-E1140 PolarHBondContact O-N 3.3Å; L1136-F1300 HydrophobicContact CD1-CE1 3.91Å; L1136-F1300 HydrophobicContact CD1-CZ 3.65Å; L1136-F1300 HydrophobicContact CD2-CD1 3.95Å; L1136-F1300 HydrophobicContact CD2-CE1 3.57Å; L1136-F1300 HydrophobicContact CD2-CE2 4.25Å; L1136-F1300 HydrophobicContact CD2-CG 4.42Å; L1136-F1300 HydrophobicContact CD2-CZ 3.77Å; L1136-F1300 HydrophobicContact CG-CD1 4.49Å; L1136-F1300 HydrophobicContact CG-CE1 3.73Å; L1136-F1300 HydrophobicContact CG-CE2 3.86Å; L1136-F1300 HydrophobicContact CG-CZ 3.39Å
1137S71.7Confident65.2Low42 Ų4241.8 Ų41.829%0.29421%0.214SC..Hα-helixtrans-61.5-39.9177163.60000112.6H1065 N1067 L1133 Q1134 I1135 Y1141H1065-S1137 PolarHBondContact CE1-OG 2.86Å; H1065-S1137 VanDerWaalsContact CE1-OG 3.26Å; H1065-S1137 PolarHBondContact NE2-OG 2.88Å; N1067-S1137 PolarHBondContact ND2-OG 3.39Å; L1133-S1137 WeakPolarHBondContact O-CB 3.5Å; L1133-S1137 PolarHBondContact O-N 3.42Å; Q1134-S1137 PolarHBondContact O-N 2.73Å; I1135-S1137 VanDerWaalsContact C-N 3.32Å; I1135-S1137 PolarHBondContact O-N 3.24Å; S1137-Y1141 PolarHBondContact O-N 2.97Å
1138G69.4Low64.4Low0 Ų042.8 Ų42.80%022%0.222CC..Hα-helixtrans-67.1-41.5174.300000113Q1134 I1135 L1136 Y1141 L1142Q1134-G1138 PolarHBondContact O-N 3.5Å; I1135-G1138 PolarHBondContact O-N 3.2Å; I1135-G1138 VanDerWaalsContact O-N 3.16Å; L1136-G1138 VanDerWaalsContact C-N 3.34Å; L1136-G1138 PolarHBondContact O-N 2.78Å; G1138-Y1141 PolarHBondContact O-N 2.88Å; G1138-L1142 WeakPolarHBondContact O-CG 3.42Å; G1138-L1142 PolarHBondContact O-N 2.89Å
1139L67.6Low63.8Low8 Ų842.7 Ų42.74%0.04222%0.221CC..Hα-helixtrans-68.6-38.6177.2-72.9173000112.2I1135 L1136 L1142 T1143 V1149 F1152 L1167 N1296 F1300I1135-L1139 HydrophobicContact CG2-CD1 3.9Å; I1135-L1139 HydrophobicContact CG2-CG 4.38Å; I1135-L1139 WeakPolarHBondContact O-CG 3.33Å; I1135-L1139 PolarHBondContact O-N 2.93Å; L1136-L1139 PolarHBondContact O-N 2.76Å; L1139-L1142 PolarHBondContact O-N 2.81Å; L1139-T1143 WeakPolarHBondContact O-CB 3.47Å; L1139-T1143 PolarHBondContact O-N 3.32Å; L1139-T1143 PolarHBondContact O-OG1 2.77Å; L1139-V1149 HydrophobicContact CD2-CG2 4.19Å; L1139-F1152 HydrophobicContact CD1-CE1 4.14Å; L1139-F1152 HydrophobicContact CD1-CZ 4.23Å; L1139-F1152 HydrophobicContact CD2-CE2 4.18Å; L1139-F1152 HydrophobicContact CD2-CZ 4.24Å; L1139-F1152 HydrophobicContact CG-CZ 4.35Å; L1139-L1167 HydrophobicContact CD2-CD1 4.23Å; L1139-L1167 HydrophobicContact CG-CD1 4.07Å; L1139-N1296 HydrophobicContact CD2-CB 4.44Å; L1139-F1300 HydrophobicContact CD1-CB 4.04Å; L1139-F1300 HydrophobicContact CD1-CD2 3.94Å; L1139-F1300 HydrophobicContact CD1-CG 4.27Å
1140E64.1Low63Low113 Ų11346.6 Ų46.653%0.52824%0.239SC..Hα-helixtrans-59.7-47.8174.6-175.7178.6-176.200110.3L1136 L1142 T1143 L1144L1136-E1140 VanDerWaalsContact O-CB 3.32Å; L1136-E1140 WeakPolarHBondContact O-CB 3.37Å; L1136-E1140 PolarHBondContact O-N 3.3Å; E1140-L1142 PolarHBondContact O-N 2.82Å; E1140-T1143 PolarHBondContact O-N 3.24Å; E1140-L1144 HydrophobicContact CG-CD1 4.16Å; E1140-L1144 WeakPolarHBondContact O-CB 3.3Å; E1140-L1144 VanDerWaalsContact O-CG 3.31Å; E1140-L1144 WeakPolarHBondContact O-CG 3.4Å; E1140-L1144 PolarHBondContact O-N 2.87Å
1141Y71.1Confident61.9Low54 Ų5448.2 Ų48.221%0.21225%0.252CS..Hα-helixtrans-60-43175176.2-93.7000112.7F1063 D1064 H1065 I1068 S1137 G1138 T1143 N1145F1063-Y1141 AromaticContact CD1-CE1 3.95Å; F1063-Y1141 HydrophobicContact CD1-CE1 3.95Å; D1064-Y1141 PolarHBondContact N-OH 2.69Å; H1065-Y1141 HydrophobicContact CB-CD1 3.77Å; H1065-Y1141 HydrophobicContact CB-CD2 4.23Å; H1065-Y1141 HydrophobicContact CB-CE1 3.78Å; H1065-Y1141 HydrophobicContact CB-CE2 4.29Å; H1065-Y1141 HydrophobicContact CB-CG 3.96Å; H1065-Y1141 AromaticContact CD2-CD2 3.79Å; H1065-Y1141 AromaticContact CD2-CG 3.73Å; H1065-Y1141 AromaticContact CG-CG 3.9Å; I1068-Y1141 HydrophobicContact CD1-CD1 3.37Å; I1068-Y1141 HydrophobicContact CD1-CE1 3.67Å; I1068-Y1141 HydrophobicContact CD1-CG 4.47Å; S1137-Y1141 PolarHBondContact O-N 2.97Å; G1138-Y1141 PolarHBondContact O-N 2.88Å; Y1141-T1143 VanDerWaalsContact C-N 3.34Å; Y1141-N1145 WeakPolarHBondContact CE1-ND2 3.46Å; Y1141-N1145 VanDerWaalsContact CZ-ND2 3.33Å; Y1141-N1145 PolarHBondContact O-N 2.85Å; Y1141-N1145 PolarHBondContact O-ND2 2.92Å
1142L65.1Low61Low0 Ų048.4 Ų48.40%025%0.253CS..Hα-helixtrans-64.7-39.8176.3-72.5173.8000112F1063 I1068 G1138 L1139 E1140 N1145 S1146 Y1147 V1149 L1167 I1169F1063-L1142 HydrophobicContact CD1-CD2 4.27Å; F1063-L1142 HydrophobicContact CE1-CD2 3.95Å; I1068-L1142 HydrophobicContact CD1-CD1 4.49Å; I1068-L1142 HydrophobicContact CD1-CD2 3.8Å; I1068-L1142 HydrophobicContact CD1-CG 3.93Å; G1138-L1142 WeakPolarHBondContact O-CG 3.42Å; G1138-L1142 PolarHBondContact O-N 2.89Å; L1139-L1142 PolarHBondContact O-N 2.81Å; E1140-L1142 PolarHBondContact O-N 2.82Å; L1142-N1145 CarbonylContact O-C 3.5Å; L1142-N1145 WeakPolarHBondContact O-CA 3.34Å; L1142-N1145 PolarHBondContact O-N 3Å; L1142-S1146 PolarHBondContact O-N 2.9Å; L1142-Y1147 PolarHBondContact O-N 3.48Å; L1142-V1149 HydrophobicContact CD1-CG2 3.61Å; L1142-L1167 HydrophobicContact CD1-CD1 4.32Å; L1142-I1169 HydrophobicContact CD1-CG1 4.35Å; L1142-I1169 HydrophobicContact CD2-CD1 3.67Å; L1142-I1169 HydrophobicContact CD2-CG1 4.28Å
1143T59.8Low60.3Low15 Ų1549.6 Ų49.69%0.09226%0.262CS..Hα-helixtrans-74.1-36.9-177.3-43.70000112.1L1139 E1140 Y1141 N1145 S1146 Y1293 N1296L1139-T1143 WeakPolarHBondContact O-CB 3.47Å; L1139-T1143 PolarHBondContact O-N 3.32Å; L1139-T1143 PolarHBondContact O-OG1 2.77Å; E1140-T1143 PolarHBondContact O-N 3.24Å; Y1141-T1143 VanDerWaalsContact C-N 3.34Å; T1143-N1145 PolarHBondContact O-N 3.05Å; T1143-S1146 WeakPolarHBondContact O-CA 3.41Å; T1143-S1146 PolarHBondContact O-N 2.98Å; T1143-Y1293 HydrophobicContact CG2-CD2 3.53Å; T1143-Y1293 HydrophobicContact CG2-CG 4.1Å; T1143-N1296 PolarHBondContact OG1-ND2 3.41Å
1144L58.6Low59.5Low130 Ų13047 Ų4768%0.68125%0.249SC*.Hα-helixtrans-58.3-33.4169.2-75.3168.6000111.6E1140 S1146E1140-L1144 HydrophobicContact CG-CD1 4.16Å; E1140-L1144 WeakPolarHBondContact O-CB 3.3Å; E1140-L1144 VanDerWaalsContact O-CG 3.31Å; E1140-L1144 WeakPolarHBondContact O-CG 3.4Å; E1140-L1144 PolarHBondContact O-N 2.87Å; L1144-S1146 VanDerWaalsContact C-N 3.28Å; L1144-S1146 PolarHBondContact O-N 3.12Å
1145N63.3Low58.6Low69 Ų6952.1 Ų52.137%0.36927%0.271SS..THydrogen-bonded Turntrans-87.311.4174.2-69.1-43.2000113.8Y1141 L1142 T1143 Y1147Y1141-N1145 WeakPolarHBondContact CE1-ND2 3.46Å; Y1141-N1145 VanDerWaalsContact CZ-ND2 3.33Å; Y1141-N1145 PolarHBondContact O-N 2.85Å; Y1141-N1145 PolarHBondContact O-ND2 2.92Å; L1142-N1145 CarbonylContact O-C 3.5Å; L1142-N1145 WeakPolarHBondContact O-CA 3.34Å; L1142-N1145 PolarHBondContact O-N 3Å; T1143-N1145 PolarHBondContact O-N 3.05Å; N1145-Y1147 HydrophobicContact CB-CD2 3.65Å; N1145-Y1147 HydrophobicContact CB-CE2 3.88Å; N1145-Y1147 WeakPolarHBondContact O-CD2 3.43Å; N1145-Y1147 VanDerWaalsContact O-CE2 3.24Å; N1145-Y1147 WeakPolarHBondContact O-CE2 3.33Å; N1145-Y1147 PolarHBondContact O-N 3.4Å
1146S55.4Low57.9Low59 Ų5952.9 Ų52.941%0.41328%0.277SS..THydrogen-bonded Turntrans62.432.3178.4-50.70000115.3L1142 T1143 L1144 T1289L1142-S1146 PolarHBondContact O-N 2.9Å; T1143-S1146 WeakPolarHBondContact O-CA 3.41Å; T1143-S1146 PolarHBondContact O-N 2.98Å; L1144-S1146 VanDerWaalsContact C-N 3.28Å; L1144-S1146 PolarHBondContact O-N 3.12Å; S1146-T1289 WeakPolarHBondContact OG-CG2 3.38Å
1147Y54.2Low57.7Low41 Ų4150.6 Ų50.616%0.16127%0.265CS..  trans-107.3137176.4-66.5-79.5000112.3F1063 L1142 N1145 F1171 N1296F1063-Y1147 AromaticContact CE1-CD2 3.66Å; F1063-Y1147 HydrophobicContact CE1-CD2 3.66Å; F1063-Y1147 AromaticContact CE1-CE2 3.51Å; F1063-Y1147 HydrophobicContact CE1-CE2 3.51Å; F1063-Y1147 HydrophobicContact CE1-CG 4.41Å; F1063-Y1147 HydrophobicContact CZ-CD1 4.35Å; F1063-Y1147 AromaticContact CZ-CD2 3.77Å; F1063-Y1147 HydrophobicContact CZ-CD2 3.77Å; F1063-Y1147 HydrophobicContact CZ-CE1 4.07Å; F1063-Y1147 AromaticContact CZ-CE2 3.47Å; F1063-Y1147 HydrophobicContact CZ-CE2 3.47Å; F1063-Y1147 VanDerWaalsContact CZ-CE2 3.47Å; F1063-Y1147 HydrophobicContact CZ-CG 4.2Å; F1063-Y1147 AromaticContact CZ-CZ 3.62Å; L1142-Y1147 PolarHBondContact O-N 3.48Å; N1145-Y1147 HydrophobicContact CB-CD2 3.65Å; N1145-Y1147 HydrophobicContact CB-CE2 3.88Å; N1145-Y1147 WeakPolarHBondContact O-CD2 3.43Å; N1145-Y1147 VanDerWaalsContact O-CE2 3.24Å; N1145-Y1147 WeakPolarHBondContact O-CE2 3.33Å; N1145-Y1147 PolarHBondContact O-N 3.4Å; Y1147-F1171 HydrophobicContact CD1-CD1 4.43Å; Y1147-F1171 AromaticContact CD1-CE1 3.46Å; Y1147-F1171 HydrophobicContact CD1-CE1 3.46Å; Y1147-F1171 VanDerWaalsContact CD1-CE1 3.46Å; Y1147-F1171 HydrophobicContact CD1-CZ 4.06Å; Y1147-F1171 AromaticContact CE1-CE1 3.84Å; Y1147-F1171 HydrophobicContact CE1-CE1 3.84Å; Y1147-F1171 HydrophobicContact CE1-CZ 4.17Å; Y1147-F1171 HydrophobicContact CG-CE1 4.25Å; Y1147-N1296 PolarHBondContact O-ND2 2.93Å; Y1147-N1296 VanDerWaalsContact O-ND2 3.11Å
1148T45.6Very low57.2Low52 Ų5250 Ų5032%0.31926%0.257SS..  trans-100.4149.1168.248.20000111.2C1292 N1296T1148-C1292 HydrophobicContact CG2-CB 3.36Å; T1148-C1292 VanDerWaalsContact CG2-SG 3.55Å; T1148-N1296 WeakPolarHBondContact CA-OD1 3.12Å
1149V49.8Very low56.6Low8 Ų850 Ų505%0.04826%0.257CS..  trans-112.5105.2170.3-166.30000109L1139 L1142 F1152 N1296 S1299L1139-V1149 HydrophobicContact CD2-CG2 4.19Å; L1142-V1149 HydrophobicContact CD1-CG2 3.61Å; V1149-F1152 HydrophobicContact CB-CD2 4.04Å; V1149-F1152 HydrophobicContact CG1-CD2 3.63Å; V1149-F1152 HydrophobicContact CG1-CE2 4.33Å; V1149-N1296 PolarHBondContact N-OD1 2.85Å; V1149-S1299 PolarHBondContact O-OG 3.16Å
1150E41.8Very low56Low114 Ų11451 Ų5153%0.53326%0.263SS..THydrogen-bonded Turntrans-75.7146.3172.5-69.8-175.3162.700110.7F1152 N1172E1150-F1152 PolarHBondContact O-N 3.01Å; E1150-N1172 PolarHBondContact OE2-ND2 3.48Å
1151N44.7Very low55.3Low131 Ų13147.2 Ų47.270%0.70125%0.253SS*.THydrogen-bonded Turntrans59.239.9178.1-60.6-32000114.8T1153N1151-T1153 VanDerWaalsContact C-N 3.27Å; N1151-T1153 PolarHBondContact O-N 3.46Å
1152F52Low54.4Low6 Ų648.7 Ų48.73%0.02627%0.271CS..  trans-67.483.1177.4-158.1-107.4000111.6I1135 L1139 V1149 E1150 S1156 V1157 L1167 S1299 L1303I1135-F1152 HydrophobicContact CG2-CE1 3.63Å; I1135-F1152 HydrophobicContact CG2-CZ 3.64Å; L1139-F1152 HydrophobicContact CD1-CE1 4.14Å; L1139-F1152 HydrophobicContact CD1-CZ 4.23Å; L1139-F1152 HydrophobicContact CD2-CE2 4.18Å; L1139-F1152 HydrophobicContact CD2-CZ 4.24Å; L1139-F1152 HydrophobicContact CG-CZ 4.35Å; V1149-F1152 HydrophobicContact CB-CD2 4.04Å; V1149-F1152 HydrophobicContact CG1-CD2 3.63Å; V1149-F1152 HydrophobicContact CG1-CE2 4.33Å; E1150-F1152 PolarHBondContact O-N 3.01Å; F1152-S1156 WeakPolarHBondContact CD2-OG 3.42Å; F1152-V1157 HydrophobicContact CE1-CG2 4.1Å; F1152-V1157 HydrophobicContact CE2-CG2 4.32Å; F1152-V1157 HydrophobicContact CZ-CG2 3.77Å; F1152-L1167 HydrophobicContact CE2-CD1 4.27Å; F1152-L1167 HydrophobicContact CE2-CD2 3.73Å; F1152-L1167 HydrophobicContact CE2-CG 4.48Å; F1152-L1167 HydrophobicContact CZ-CD1 4.24Å; F1152-L1167 HydrophobicContact CZ-CD2 3.46Å; F1152-L1167 VanDerWaalsContact CZ-CD2 3.46Å; F1152-L1167 HydrophobicContact CZ-CG 4.46Å; F1152-S1299 VanDerWaalsContact CB-CB 3.48Å; F1152-L1303 HydrophobicContact CD1-CB 4.47Å; F1152-L1303 HydrophobicContact CD1-CD2 4.28Å; F1152-L1303 HydrophobicContact CE1-CD2 3.74Å
1153T52.4Low54.2Low52 Ų5249 Ų4932%0.31927%0.272SS..  trans-104.8169.5176.456.80000109.6N1151 K1155 S1156N1151-T1153 VanDerWaalsContact C-N 3.27Å; N1151-T1153 PolarHBondContact O-N 3.46Å; T1153-K1155 PolarHBondContact O-N 2.99Å; T1153-S1156 PolarHBondContact O-N 3Å; T1153-S1156 PolarHBondContact O-OG 3.48Å
1154S53.8Low54.4Low17 Ų1750.1 Ų50.112%0.11928%0.278CS..THydrogen-bonded Turntrans-52.8-13.4171.4430000114.9V1098 D1099 E1306V1098-S1154 WeakPolarHBondContact CB-O 3.21Å; V1098-S1154 PolarHBondContact N-O 2.9Å; V1098-S1154 VanDerWaalsContact N-O 3.08Å; D1099-S1154 PolarHBondContact N-O 3.43Å; S1154-E1306 VanDerWaalsContact CB-OE2 3.3Å; S1154-E1306 WeakPolarHBondContact CB-OE2 3.37Å; S1154-E1306 PolarHBondContact N-OE2 3.31Å; S1154-E1306 PolarHBondContact OG-OE2 3.28Å
1155K52.6Low55Low135 Ų13544 Ų4459%0.58725%0.245SC*.THydrogen-bonded Turntrans-75.5-26.2171.6-73179.1179.1-178.70115.4S1097 D1099 T1153 F1158S1097-K1155 WeakPolarHBondContact CB-O 3.39Å; D1099-K1155 HydrophobicContact CB-CG 4.34Å; D1099-K1155 VanDerWaalsContact CG-CG 3.47Å; D1099-K1155 WeakPolarHBondContact OD2-CE 3.5Å; D1099-K1155 WeakPolarHBondContact OD2-CG 3.38Å; T1153-K1155 PolarHBondContact O-N 2.99Å; K1155-F1158 WeakPolarHBondContact O-CE2 3.28Å
1156S56.4Low55.3Low17 Ų1741.8 Ų41.812%0.11923%0.232CC..THydrogen-bonded Turntrans-87.3-15.1-17664.20000113.3F1152 T1153 K1168F1152-S1156 WeakPolarHBondContact CD2-OG 3.42Å; T1153-S1156 PolarHBondContact O-N 3Å; T1153-S1156 PolarHBondContact O-OG 3.48Å; S1156-K1168 PolarHBondContact O-N 3.11Å
1157V62.5Low55.9Low0 Ų039.1 Ų39.10%021%0.213CC..EExtended strand (participates in β ladder)trans-99.8115.6179.9-1760000108.4S1097 V1098 I1135 F1152 C1165 L1167 L1303S1097-V1157 CarbonylContact C-O 3.59Å; S1097-V1157 VanDerWaalsContact CA-O 3.24Å; S1097-V1157 WeakPolarHBondContact CA-O 3.32Å; V1098-V1157 HydrophobicContact CG2-CB 3.85Å; V1098-V1157 HydrophobicContact CG2-CG1 3.67Å; V1098-V1157 PolarHBondContact N-O 3.45Å; I1135-V1157 HydrophobicContact CD1-CG1 3.74Å; I1135-V1157 HydrophobicContact CD1-CG2 4.09Å; I1135-V1157 HydrophobicContact CG1-CG1 3.99Å; I1135-V1157 HydrophobicContact CG1-CG2 4.47Å; F1152-V1157 HydrophobicContact CE1-CG2 4.1Å; F1152-V1157 HydrophobicContact CE2-CG2 4.32Å; F1152-V1157 HydrophobicContact CZ-CG2 3.77Å; V1157-C1165 HydrophobicContact CG1-CB 3.81Å; V1157-L1167 HydrophobicContact CG1-CD2 4.46Å; V1157-L1167 HydrophobicContact CG2-CD2 3.99Å; V1157-L1303 HydrophobicContact CG2-CD2 4.09Å
1158F62.1Low56.3Low28 Ų2839.8 Ų39.812%0.12322%0.217CC..EExtended strand (participates in β ladder)trans-100.3145.6179.7-77.2-105.7000111C1093 G1096 K1155 C1165 K1166 K1168C1093-F1158 HydrophobicContact CB-CB 3.77Å; C1093-F1158 HydrophobicContact CB-CD1 4.1Å; C1093-F1158 HydrophobicContact CB-CG 4.4Å; G1096-F1158 CarbonylContact O-C 3.59Å; G1096-F1158 VanDerWaalsContact O-CA 3.24Å; G1096-F1158 WeakPolarHBondContact O-CA 3.41Å; K1155-F1158 WeakPolarHBondContact O-CE2 3.28Å; F1158-C1165 CarbonylContact O-C 3.49Å; F1158-C1165 WeakPolarHBondContact O-CA 3.35Å; F1158-K1166 PolarHBondContact N-O 3.46Å; F1158-K1166 PolarHBondContact O-N 3.25Å; F1158-K1168 HydrophobicContact CD2-CB 3.71Å; F1158-K1168 HydrophobicContact CD2-CD 4.28Å; F1158-K1168 HydrophobicContact CE2-CB 3.71Å; F1158-K1168 HydrophobicContact CE2-CD 3.5Å; F1158-K1168 HydrophobicContact CE2-CG 4.26Å; F1158-K1168 HydrophobicContact CZ-CD 3.91Å
1159L55.9Low56.9Low0 Ų037.8 Ų37.80%021%0.205CC..EExtended strand (participates in β ladder)trans-108.9125.2179.4-67.5171.3000109.5C1093 N1095 G1096 V1098 Y1101 M1131 F1163 C1165C1093-L1159 CarbonylContact C-O 3.56Å; C1093-L1159 WeakPolarHBondContact CB-O 3.49Å; N1095-L1159 HydrophobicContact CB-CB 3.5Å; N1095-L1159 VanDerWaalsContact CB-CB 3.5Å; N1095-L1159 WeakPolarHBondContact CB-O 3.44Å; N1095-L1159 PolarHBondContact N-O 3.08Å; G1096-L1159 PolarHBondContact O-N 2.95Å; V1098-L1159 HydrophobicContact CG2-CD1 3.95Å; V1098-L1159 HydrophobicContact CG2-CD2 4.19Å; V1098-L1159 HydrophobicContact CG2-CG 3.88Å; Y1101-L1159 HydrophobicContact CD1-CD1 3.85Å; Y1101-L1159 HydrophobicContact CD2-CD1 4.31Å; Y1101-L1159 HydrophobicContact CG-CD1 3.66Å; M1131-L1159 HydrophobicContact CE-CD1 4.49Å; M1131-L1159 HydrophobicContact CE-CD2 3.87Å; M1131-L1159 HydrophobicContact SD-CD2 4.2Å; L1159-F1163 HydrophobicContact CD1-CD1 4.41Å; L1159-C1165 VanDerWaalsContact CD2-SG 3.54Å
1160D54.6Low56.8Low31 Ų3144.6 Ų44.617%0.16624%0.236CC..  trans-77.3-177.1168.775.35.2000111.5N1095 C1162 F1163 N1164N1095-D1160 PolarHBondContact ND2-O 3.18Å; D1160-C1162 PolarHBondContact O-N 2.94Å; D1160-C1162 VanDerWaalsContact O-N 3.12Å; D1160-C1162 WeakPolarHBondContact OD1-CA 3.46Å; D1160-C1162 PolarHBondContact OD1-N 3.3Å; D1160-F1163 PolarHBondContact O-N 3.18Å; D1160-F1163 PolarHBondContact OD1-N 3.11Å; D1160-N1164 PolarHBondContact N-O 3.4Å; D1160-N1164 VanDerWaalsContact N-O 3.08Å; D1160-N1164 WeakPolarHBondContact OD1-CB 3.41Å; D1160-N1164 PolarHBondContact OD1-N 3.25Å; D1160-N1164 PolarHBondContact OD1-ND2 3.49Å; D1160-N1164 WeakPolarHBondContact OD2-CB 3.4Å; D1160-N1164 PolarHBondContact OD2-ND2 3.07Å
1161G49.7Very low56.8Low32 Ų3241.6 Ų41.633%0.3322%0.221SC..THydrogen-bonded Turntrans-726.1178.700000114.8T1113T1113-G1161 WeakPolarHBondContact CG2-O 3.46Å
1162C52.9Low56.2Low86 Ų8639.6 Ų39.658%0.58121%0.21SC*.THydrogen-bonded Turntrans-123.416.5175.5-70.70000111.2D1160 N1164D1160-C1162 PolarHBondContact O-N 2.94Å; D1160-C1162 VanDerWaalsContact O-N 3.12Å; D1160-C1162 WeakPolarHBondContact OD1-CA 3.46Å; D1160-C1162 PolarHBondContact OD1-N 3.3Å; C1162-N1164 WeakPolarHBondContact CB-ND2 3.37Å; C1162-N1164 PolarHBondContact O-N 3.5Å
1163F60.3Low54.9Low6 Ų642.9 Ų42.93%0.02623%0.234CC..  trans55.226.8-170.7-62.7-58.6000114.5Y1101 P1111 T1113 I1121 L1159 D1160Y1101-F1163 AromaticContact CD2-CE1 3.9Å; Y1101-F1163 HydrophobicContact CD2-CE1 3.9Å; Y1101-F1163 HydrophobicContact CE1-CE1 4.3Å; Y1101-F1163 HydrophobicContact CE2-CD1 4.23Å; Y1101-F1163 AromaticContact CE2-CE1 3.19Å; Y1101-F1163 HydrophobicContact CE2-CE1 3.19Å; Y1101-F1163 AromaticContact CE2-CZ 3.66Å; Y1101-F1163 HydrophobicContact CE2-CZ 3.66Å; Y1101-F1163 AromaticContact CZ-CE1 3.41Å; Y1101-F1163 VanDerWaalsContact CZ-CE1 3.41Å; Y1101-F1163 AromaticContact CZ-CZ 3.74Å; Y1101-F1163 WeakPolarHBondContact OH-CE1 3.49Å; Y1101-F1163 VanDerWaalsContact OH-CZ 3.31Å; Y1101-F1163 WeakPolarHBondContact OH-CZ 3.3Å; P1111-F1163 HydrophobicContact CB-CZ 4.24Å; T1113-F1163 WeakPolarHBondContact OG1-CE2 3.35Å; T1113-F1163 WeakPolarHBondContact OG1-CZ 3.5Å; I1121-F1163 HydrophobicContact CB-CE2 4.15Å; I1121-F1163 HydrophobicContact CD1-CE2 4.41Å; I1121-F1163 HydrophobicContact CG2-CD2 4.11Å; I1121-F1163 HydrophobicContact CG2-CE2 3.81Å; L1159-F1163 HydrophobicContact CD1-CD1 4.41Å; D1160-F1163 PolarHBondContact O-N 3.18Å; D1160-F1163 PolarHBondContact OD1-N 3.11Å
1164N64.6Low53.6Low39 Ų3945.7 Ų45.721%0.20925%0.251CS..  trans-80.1133170-50.5-56.8000109.6K1130 Q1134 D1160 C1162K1130-N1164 WeakPolarHBondContact CE-OD1 3.34Å; K1130-N1164 PolarHBondContact NZ-OD1 3.43Å; Q1134-N1164 PolarHBondContact NE2-OD1 3.4Å; D1160-N1164 PolarHBondContact N-O 3.4Å; D1160-N1164 VanDerWaalsContact N-O 3.08Å; D1160-N1164 WeakPolarHBondContact OD1-CB 3.41Å; D1160-N1164 PolarHBondContact OD1-N 3.25Å; D1160-N1164 PolarHBondContact OD1-ND2 3.49Å; D1160-N1164 WeakPolarHBondContact OD2-CB 3.4Å; D1160-N1164 PolarHBondContact OD2-ND2 3.07Å; C1162-N1164 WeakPolarHBondContact CB-ND2 3.37Å; C1162-N1164 PolarHBondContact O-N 3.5Å
1165C71.4Confident52.1Low0 Ų050.1 Ų50.10%028%0.277CS..EExtended strand (participates in β ladder)trans-80.3126177.9-71.10000111M1131 Q1134 I1135 V1157 F1158 L1159M1131-C1165 WeakPolarHBondContact CB-SG 3.33Å; M1131-C1165 VanDerWaalsContact CG-SG 3.5Å; Q1134-C1165 HydrophobicContact CB-CB 4.11Å; I1135-C1165 HydrophobicContact CD1-CB 4.32Å; I1135-C1165 HydrophobicContact CG1-CB 3.75Å; V1157-C1165 HydrophobicContact CG1-CB 3.81Å; F1158-C1165 CarbonylContact O-C 3.49Å; F1158-C1165 WeakPolarHBondContact O-CA 3.35Å; L1159-C1165 VanDerWaalsContact CD2-SG 3.54Å
1166K68.2Low50.6Low23 Ų2348.9 Ų48.910%0.128%0.284CS..EExtended strand (participates in β ladder)trans-118.3131.4169.7-64.1-167.9173.1-1630110.3V1066 N1067 V1069 E1091 F1158V1066-K1166 VanDerWaalsContact O-CE 3.31Å; V1066-K1166 WeakPolarHBondContact O-CE 3.33Å; N1067-K1166 CarbonylContact O-C 3.58Å; N1067-K1166 WeakPolarHBondContact O-CA 3.38Å; V1069-K1166 HydrophobicContact CG2-CB 4.05Å; E1091-K1166 IonicContact OE1-NZ 3.6Å; E1091-K1166 PolarHBondContact OE1-NZ 3.44Å; E1091-K1166 IonicContact OE2-NZ 2.82Å; E1091-K1166 PolarHBondContact OE2-NZ 3.21Å; F1158-K1166 PolarHBondContact N-O 3.46Å; F1158-K1166 PolarHBondContact O-N 3.25Å
1167L68.3Low49Very low3 Ų353 Ų532%0.01631%0.313CS..EExtended strand (participates in β ladder)trans-84.5122.1-179.9-56-173.9000109.5N1067 V1069 I1135 L1139 L1142 F1152 V1157N1067-L1167 PolarHBondContact O-N 3.42Å; V1069-L1167 PolarHBondContact N-O 2.86Å; I1135-L1167 HydrophobicContact CG1-CD2 4.2Å; I1135-L1167 HydrophobicContact CG2-CD2 4.31Å; L1139-L1167 HydrophobicContact CD2-CD1 4.23Å; L1139-L1167 HydrophobicContact CG-CD1 4.07Å; L1142-L1167 HydrophobicContact CD1-CD1 4.32Å; F1152-L1167 HydrophobicContact CE2-CD1 4.27Å; F1152-L1167 HydrophobicContact CE2-CD2 3.73Å; F1152-L1167 HydrophobicContact CE2-CG 4.48Å; F1152-L1167 HydrophobicContact CZ-CD1 4.24Å; F1152-L1167 HydrophobicContact CZ-CD2 3.46Å; F1152-L1167 VanDerWaalsContact CZ-CD2 3.46Å; F1152-L1167 HydrophobicContact CZ-CG 4.46Å; V1157-L1167 HydrophobicContact CG1-CD2 4.46Å; V1157-L1167 HydrophobicContact CG2-CD2 3.99Å
1168K61.9Low47.1Very low56 Ų5661.2 Ų61.224%0.24336%0.357CS..  trans-86.6114.8168.4-177.5-178.9177.7-176.30108.1V1069 S1156 F1158 Q1170V1069-K1168 HydrophobicContact CG2-CB 4.21Å; S1156-K1168 PolarHBondContact O-N 3.11Å; F1158-K1168 HydrophobicContact CD2-CB 3.71Å; F1158-K1168 HydrophobicContact CD2-CD 4.28Å; F1158-K1168 HydrophobicContact CE2-CB 3.71Å; F1158-K1168 HydrophobicContact CE2-CD 3.5Å; F1158-K1168 HydrophobicContact CE2-CG 4.26Å; F1158-K1168 HydrophobicContact CZ-CD 3.91Å; K1168-Q1170 PolarHBondContact O-N 2.9Å
1169I58.8Low45.3Very low10 Ų1067.9 Ų67.95%0.05139%0.386CS..  trans-83.9120.8179-46.2163.9000109F1063 I1068 L1142 F1171F1063-I1169 HydrophobicContact CD1-CD1 4.36Å; F1063-I1169 HydrophobicContact CD2-CD1 3.84Å; F1063-I1169 HydrophobicContact CE1-CD1 4.48Å; F1063-I1169 HydrophobicContact CE2-CD1 4.02Å; F1063-I1169 HydrophobicContact CG-CD1 4.04Å; F1063-I1169 HydrophobicContact CZ-CD1 4.32Å; I1068-I1169 HydrophobicContact CD1-CD1 4.35Å; I1068-I1169 HydrophobicContact CG2-CD1 3.59Å; I1068-I1169 HydrophobicContact CG2-CG1 4.08Å; L1142-I1169 HydrophobicContact CD1-CG1 4.35Å; L1142-I1169 HydrophobicContact CD2-CD1 3.67Å; L1142-I1169 HydrophobicContact CD2-CG1 4.28Å; I1169-F1171 HydrophobicContact CB-CE2 4.07Å; I1169-F1171 HydrophobicContact CB-CZ 4.23Å; I1169-F1171 HydrophobicContact CD1-CZ 4.37Å; I1169-F1171 HydrophobicContact CG2-CD1 4.1Å; I1169-F1171 HydrophobicContact CG2-CD2 3.92Å; I1169-F1171 HydrophobicContact CG2-CE1 3.6Å; I1169-F1171 HydrophobicContact CG2-CE2 3.41Å; I1169-F1171 VanDerWaalsContact CG2-CE2 3.41Å; I1169-F1171 HydrophobicContact CG2-CG 4.24Å; I1169-F1171 HydrophobicContact CG2-CZ 3.24Å
1170Q48.7Very low43.6Very low151 Ų15177.6 Ų77.671%0.70643%0.431SS*.  trans-111110.6170.5-174.5172.8-10.200107.5K1168K1168-Q1170 PolarHBondContact O-N 2.9Å
1171F40.8Very low42Very low50 Ų5085.6 Ų85.622%0.21946%0.46CS..  trans-88.4114.3178.5-68-71.7000109.8F1056 Y1060 F1063 Y1147 I1169F1056-F1171 HydrophobicContact CE2-CB 4.32Å; F1056-F1171 HydrophobicContact CE2-CD2 4.08Å; Y1060-F1171 HydrophobicContact CD2-CD2 4.15Å; Y1060-F1171 AromaticContact CD2-CE2 3.83Å; Y1060-F1171 HydrophobicContact CD2-CE2 3.83Å; Y1060-F1171 HydrophobicContact CE2-CD2 4.39Å; Y1060-F1171 HydrophobicContact CE2-CE2 4.11Å; F1063-F1171 AromaticContact CE2-CE2 3.73Å; F1063-F1171 HydrophobicContact CE2-CE2 3.73Å; F1063-F1171 AromaticContact CE2-CZ 3.48Å; F1063-F1171 HydrophobicContact CE2-CZ 3.48Å; F1063-F1171 VanDerWaalsContact CE2-CZ 3.48Å; F1063-F1171 HydrophobicContact CZ-CE2 4.29Å; F1063-F1171 AromaticContact CZ-CZ 3.56Å; F1063-F1171 HydrophobicContact CZ-CZ 3.56Å; Y1147-F1171 HydrophobicContact CD1-CD1 4.43Å; Y1147-F1171 AromaticContact CD1-CE1 3.46Å; Y1147-F1171 HydrophobicContact CD1-CE1 3.46Å; Y1147-F1171 VanDerWaalsContact CD1-CE1 3.46Å; Y1147-F1171 HydrophobicContact CD1-CZ 4.06Å; Y1147-F1171 AromaticContact CE1-CE1 3.84Å; Y1147-F1171 HydrophobicContact CE1-CE1 3.84Å; Y1147-F1171 HydrophobicContact CE1-CZ 4.17Å; Y1147-F1171 HydrophobicContact CG-CE1 4.25Å; I1169-F1171 HydrophobicContact CB-CE2 4.07Å; I1169-F1171 HydrophobicContact CB-CZ 4.23Å; I1169-F1171 HydrophobicContact CD1-CZ 4.37Å; I1169-F1171 HydrophobicContact CG2-CD1 4.1Å; I1169-F1171 HydrophobicContact CG2-CD2 3.92Å; I1169-F1171 HydrophobicContact CG2-CE1 3.6Å; I1169-F1171 HydrophobicContact CG2-CE2 3.41Å; I1169-F1171 VanDerWaalsContact CG2-CE2 3.41Å; I1169-F1171 HydrophobicContact CG2-CG 4.24Å; I1169-F1171 HydrophobicContact CG2-CZ 3.24Å
1172N31.6Very low40.7Very low89 Ų8989 Ų8948%0.47648%0.477SS..  trans-66.6148.5157.1-80.8-14.6000108.7E1150 V1174E1150-N1172 PolarHBondContact OE2-ND2 3.48Å; N1172-V1174 PolarHBondContact O-N 2.85Å
1173S25.7Very low39.2Very low76 Ų7691.7 Ų91.753%0.53149%0.491SS..  trans-50.3119.5-173.597.50000110.2V1175S1173-V1175 PolarHBondContact O-N 3.36Å
1174V24.1Very low37.4Very low111 Ų11198.8 Ų98.867%0.67353%0.527SS*.  trans-59.299.6-179.6179.80000108.9N1172N1172-V1174 PolarHBondContact O-N 2.85Å
1175V22.8Very low35.5Very low109 Ų109103.3 Ų103.366%0.66155%0.552SS**  trans-126.288.6168.8-175.70000108.5S1173S1173-V1175 PolarHBondContact O-N 3.36Å
1176C21.7Very low33.2Very low109 Ų109110.3 Ų110.374%0.73659%0.589SS**  trans-130.881.3151.6-78.40000106.6
1177S23.4Very low31.3Very low103 Ų103116.5 Ų116.572%0.7262%0.623SS**  trans-146.494.8169.7-670000108.8K1179S1177-K1179 PolarHBondContact O-N 3.15Å
1178N22.6Very low29.2Very low174 Ų174125 Ų12593%0.9366%0.66SS**  trans-58.578.3166.6-77.2-16.2000110.6
1179K22.5Very low27.3Very low168 Ų168128.9 Ų128.973%0.7368%0.682SS**  trans-132.9106.3156.9-74.4-167.2176.9-177.70107.6S1177 Y1181S1177-K1179 PolarHBondContact O-N 3.15Å; K1179-Y1181 HydrophobicContact CB-CD2 4.41Å; K1179-Y1181 HydrophobicContact CB-CE2 4.33Å; K1179-Y1181 PolarHBondContact O-N 3.12Å
1180Q20.8Very low25.6Very low203 Ų203134.6 Ų134.695%0.94971%0.713SS**  trans-43108.8167.6-75.1170-30.800108.7
1181Y21Very low24.3Very low199 Ų199135.1 Ų135.178%0.7872%0.72SS**  trans-119.3143.3159.6-86.1-80.3000108K1179 T1183K1179-Y1181 HydrophobicContact CB-CD2 4.41Å; K1179-Y1181 HydrophobicContact CB-CE2 4.33Å; K1179-Y1181 PolarHBondContact O-N 3.12Å; Y1181-T1183 PolarHBondContact O-N 3.5Å
1182P23Very low23.4Very low104 Ų104135.3 Ų135.368%0.67574%0.736SS**  trans-73.5123.1-165.8-7.624.8000110.3I1184P1182-I1184 PolarHBondContact O-N 3.04Å
1183T21.4Very low23Very low142 Ų142138.1 Ų138.187%0.87174%0.744SS**  trans24.883.5149.154.60000116.4Y1181Y1181-T1183 PolarHBondContact O-N 3.5Å
1184I21.9Very low22.9Very low155 Ų155138.9 Ų138.980%0.79574%0.738SS**  trans-130.3124.6152.5-59.6179.2000106.6P1182 N1186P1182-I1184 PolarHBondContact O-N 3.04Å; I1184-N1186 PolarHBondContact O-N 3.04Å
1185D24.1Very low22.8Very low135 Ų135142 Ų14272%0.72275%0.746SS**  trans-39.3113.3-170.1-96.3-36.6000115.4N1187D1185-N1187 PolarHBondContact O-N 2.83Å
1186N24.9Very low22.8Very low147 Ų147138.5 Ų138.579%0.78673%0.725SS**G310 helixtrans-69-4176.9-79.6-26.2000114.6I1184 K1188I1184-N1186 PolarHBondContact O-N 3.04Å; N1186-K1188 PolarHBondContact O-N 3.1Å
1187N27Very low22.8Very low153 Ų153139.9 Ų139.982%0.81872%0.724SS**G310 helixtrans-90.312.3-172.7-73.2-6000115D1185D1185-N1187 PolarHBondContact O-N 2.83Å
1188K23.9Very low22.7Very low182 Ų182138.8 Ų138.879%0.79171%0.71SS**G310 helixtrans-1184.5-175.6-77.1-173.1177.81770117.2N1186N1186-K1188 PolarHBondContact O-N 3.1Å
1189I23.4Very low22.7Very low137 Ų137137.1 Ų137.170%0.70370%0.7SS**SBendtrans-110.6-6.3-176.9-61.1179.1000114.1D1191I1189-D1191 PolarHBondContact O-N 2.6Å
1190N22.1Very low22.7Very low130 Ų130135.7 Ų135.770%0.69570%0.701SS**THydrogen-bonded Turntrans-83.8-6.1-167.8-82.1-2.1000118.3
1191D22.2Very low22.7Very low162 Ų162129.1 Ų129.187%0.86667%0.672SS**THydrogen-bonded Turntrans-119.116.6-171.9-66.2-36.3000115.5I1189I1189-D1191 PolarHBondContact O-N 2.6Å
1192G21.5Very low22.7Very low53 Ų53125.6 Ų125.655%0.54666%0.663SS.*  trans-109.5117.7-169.500000115.9
1193F23.2Very low22.7Very low148 Ų148127.5 Ų127.565%0.64966%0.66SS**  trans71.176.5141.2-64.5-89.2000118.4L1085L1085-F1193 HydrophobicContact CD1-CD1 4.25Å; L1085-F1193 HydrophobicContact CD1-CE1 4.09Å
1194F23.5Very low22.7Very low92 Ų92126.5 Ų126.540%0.40466%0.655SS.*  trans-16482.8135.5-77.6-59.1000108.7L1053 L1074 C1086 M1088 P1196L1053-F1194 HydrophobicContact CD1-CE2 4.3Å; L1053-F1194 HydrophobicContact CD1-CZ 3.72Å; L1074-F1194 HydrophobicContact CD2-CE1 4.41Å; C1086-F1194 HydrophobicContact CB-CE1 4.01Å; M1088-F1194 HydrophobicContact CE-CD1 3.55Å; M1088-F1194 HydrophobicContact CE-CD2 3.57Å; M1088-F1194 HydrophobicContact CE-CE1 3.52Å; M1088-F1194 HydrophobicContact CE-CE2 3.58Å; M1088-F1194 HydrophobicContact CE-CG 3.59Å; M1088-F1194 HydrophobicContact CE-CZ 3.56Å; M1088-F1194 HydrophobicContact CG-CD1 4.08Å; M1088-F1194 HydrophobicContact CG-CE1 4.37Å; M1088-F1194 HydrophobicContact SD-CD1 4.42Å; M1088-F1194 HydrophobicContact SD-CG 4.46Å; F1194-P1196 WeakPolarHBondContact O-CD 3.49Å
1195Q22.2Very low22.6Very low178 Ų178123.8 Ų123.883%0.83264%0.642SS**  trans-75.6113.6158-103.8176.3-14.300106.8L1197Q1195-L1197 PolarHBondContact O-N 3.1Å
1196P22.2Very low22.5Very low34 Ų34125.2 Ų125.222%0.22165%0.649CS.*  trans-61.3127.7162.424.3-27.6000106.5F1194 L1198F1194-P1196 WeakPolarHBondContact O-CD 3.49Å; P1196-L1198 PolarHBondContact O-N 3.02Å
1197L21.4Very low22.3Very low138 Ų138126.8 Ų126.872%0.72365%0.646SS**  trans-6285163.9-92.8153.4000106.3Q1195 L1199Q1195-L1197 PolarHBondContact O-N 3.1Å; L1197-L1199 PolarHBondContact O-N 2.66Å
1198L21.9Very low22Very low80 Ų80127.5 Ų127.542%0.41965%0.648SS.*  trans-61.4104.3163.7-81.2156.4000104.9P1196 N1200P1196-L1198 PolarHBondContact O-N 3.02Å; L1198-N1200 PolarHBondContact O-N 2.82Å
1199L21.9Very low21.9Very low140 Ų140125 Ų12573%0.73364%0.639SS**  trans-47.2115.8163.7-79.3158.8000106.7L1197 N1201L1197-L1199 PolarHBondContact O-N 2.66Å; L1199-N1201 PolarHBondContact O-N 3.18Å
1200N22.7Very low21.8Very low138 Ų138122.4 Ų122.474%0.73863%0.633SS**  trans-40122.1-162.8-73.8-26.9000113.4L1198L1198-N1200 PolarHBondContact O-N 2.82Å
1201N20.9Very low21.7Very low65 Ų65122 Ų12235%0.34864%0.636SS.*  trans-52.4157.1156.9-69.2-36.4000110M1100 L1199M1100-N1201 HydrophobicContact CE-CB 4.37Å; L1199-N1201 PolarHBondContact O-N 3.18Å
1202E21.4Very low21.8Very low125 Ų125120.3 Ų120.358%0.58463%0.625SS**  trans102.469.6176.9-56176.5-174.500114.8
1203F23.5Very low21.7Very low143 Ų143129 Ų12963%0.62764%0.641SS**  trans-119.6100.5160.3-68.9-81.7000108.3
1204T20.9Very low21.7Very low122 Ų122130.8 Ų130.875%0.74865%0.649SS**  trans-105.2125.3173.2500000111.2
1205N20.9Very low21.6Very low98 Ų98134.1 Ų134.152%0.52467%0.671SS.*  trans39.4118147.3-74.4-11.2000119.6
1206D20.8Very low21.6Very low164 Ų164131.9 Ų131.988%0.87767%0.67SS**  -144.3143.2127.8-97.5-33.4000111
1207Y20.8Very low21.6Very low181 Ų181139.6 Ų139.671%0.7170%0.7SS**  trans-56.5141.3-176.7-78.9-107.1000114.2
1208L21.9Very low21.6Very low168 Ų168144.8 Ų144.888%0.8871%0.71SS**  -167.5144.6122.3-151.159000114.5
1209H20.5Very low21.6Very low129 Ų129149.2 Ų149.260%0.59773%0.733SS**  trans-66.4149.8-179.3-88.3-114.3000116.1N1118N1118-H1209 PolarHBondContact ND2-ND1 2.9Å
1210S21.3Very low21.5Very low82 Ų82150.1 Ų150.157%0.57374%0.739SS**  trans66.7103.2141.266.40000118.9
1211T21.1Very low21.5Very low122 Ų122152.2 Ų152.275%0.74874%0.741SS**  172.268.2118.326.70000110.5R1213T1211-R1213 PolarHBondContact O-N 3.46Å
1212I22.5Very low21.5Very low126 Ų126160.1 Ų160.165%0.64677%0.768SS**  trans-88.994.6170.1-57.3176.2000108.5N1116N1116-I1212 WeakPolarHBondContact OD1-CG2 3.28Å
1213R21.1Very low21.4Very low235 Ų235161 Ų16189%0.88778%0.776SS**  trans-95.4102.3176.6-147.6-179.8-161-178.44.8109T1211 D1215T1211-R1213 PolarHBondContact O-N 3.46Å; R1213-D1215 PolarHBondContact O-N 3.12Å
1214K22.3Very low21.3Very low186 Ų186161.6 Ų161.681%0.80979%0.785SS**  trans16.289.2156.8-63.8-177.6177.9-178.50117.4
1215D21.7Very low21.3Very low162 Ų162164.2 Ų164.287%0.86679%0.788SS**  trans-102.670.1158-94.5-23.5000110.7R1213 K1217R1213-D1215 PolarHBondContact O-N 3.12Å; D1215-K1217 VanDerWaalsContact C-N 3.27Å; D1215-K1217 PolarHBondContact O-N 2.92Å
1216T21.5Very low21.3Very low131 Ų131168 Ų16880%0.80480%0.802SS**  trans-82.373163.346.30000109.5
1217K22.2Very low21.2Very low197 Ų197165 Ų16586%0.85779%0.794SS**  trans-149.268.2164.8-76.4-164.5179.51790111.2D1215D1215-K1217 VanDerWaalsContact C-N 3.27Å; D1215-K1217 PolarHBondContact O-N 2.92Å
1218R21.5Very low21.2Very low247 Ų247165.8 Ų165.893%0.93280%0.802SS**  trans-166.565.7158.3-115.4176.5-178.9173.30.3110
1219L21.3Very low21.1Very low173 Ų173169.1 Ų169.191%0.90680%0.802SS**  trans-147.358.4173.1-103.1155.8000107.3
1220D21.7Very low21.1Very low159 Ų159171 Ų17185%0.8581%0.813SS**  trans-107120.8167.2-76.9-32.9000108.4
1221K21.3Very low21.1Very low181 Ų181174.8 Ų174.879%0.78783%0.828SS**  trans71.681.7162.4-62.9178.8176.2179.20117.8
1222Y20.4Very low21.1Very low232 Ų232174.8 Ų174.891%0.9183%0.83SS**  -132.7106.7129-95-86.5000107.3I1224Y1222-I1224 PolarHBondContact O-N 3.07Å
1223D19.5Very low21.1Very low142 Ų142173.5 Ų173.576%0.75983%0.831SS**  trans-65.591.8179.6-77.2-47.6000110.2H1225D1223-H1225 VanDerWaalsContact C-N 3.34Å; D1223-H1225 PolarHBondContact O-N 3.27Å; D1223-H1225 VanDerWaalsContact O-N 3.13Å
1224I21.8Very low21.2Very low157 Ų157173.5 Ų173.581%0.80583%0.833SS**  trans-76.194.6161.6-61.9168.7000106Y1222 Q1226Y1222-I1224 PolarHBondContact O-N 3.07Å; I1224-Q1226 VanDerWaalsContact C-N 3.28Å; I1224-Q1226 PolarHBondContact O-N 3.36Å
1225H20.7Very low21.4Very low176 Ų176172.1 Ų172.182%0.81584%0.835SS**SBendtrans-58.788.5169.3-88.4-78.1000110.4D1223D1223-H1225 VanDerWaalsContact C-N 3.34Å; D1223-H1225 PolarHBondContact O-N 3.27Å; D1223-H1225 VanDerWaalsContact O-N 3.13Å
1226Q20.6Very low21.6Very low178 Ų178171.1 Ų171.183%0.83283%0.829SS**  trans169.481.2139.5-94.31781.600106.9I1224 F1228I1224-Q1226 VanDerWaalsContact C-N 3.28Å; I1224-Q1226 PolarHBondContact O-N 3.36Å; Q1226-F1228 PolarHBondContact O-N 3.07Å; Q1226-F1228 VanDerWaalsContact O-N 3.13Å
1227S20.3Very low21.8Very low100 Ų100172.1 Ų172.170%0.69983%0.83SS**  trans-57.9111.2174.752.50000110.7R1229S1227-R1229 PolarHBondContact O-N 3.35Å
1228F20.5Very low21.8Very low199 Ų199168.4 Ų168.487%0.87382%0.819SS**  trans-50.9101.3156.6-84.8-95.2000109.1Q1226 M1230Q1226-F1228 PolarHBondContact O-N 3.07Å; Q1226-F1228 VanDerWaalsContact O-N 3.13Å; F1228-M1230 VanDerWaalsContact C-N 3.32Å; F1228-M1230 PolarHBondContact O-N 3.39Å; F1228-M1230 VanDerWaalsContact O-N 3.15Å
1229R18.7Very low22Very low237 Ų237161.2 Ų161.289%0.89480%0.802SS**  trans-81.180.8167.1-82-173.4178.1179.9-0.1108.9S1227S1227-R1229 PolarHBondContact O-N 3.35Å
1230M21Very low22.1Very low168 Ų168162.2 Ų162.283%0.82880%0.803SS**  trans-84.3110.1157.9-82.2-88-153.700107F1228 P1232F1228-M1230 VanDerWaalsContact C-N 3.32Å; F1228-M1230 PolarHBondContact O-N 3.39Å; F1228-M1230 VanDerWaalsContact O-N 3.15Å; M1230-P1232 WeakPolarHBondContact O-CD 3.33Å
1231N21.6Very low22.1Very low163 Ų163161.2 Ų161.287%0.87279%0.793SS**  trans-61119.6-174.6-122.6-10.6000110.5S1233N1231-S1233 PolarHBondContact O-N 2.94Å
1232P21.8Very low22.1Very low122 Ų122156.6 Ų156.679%0.79278%0.783SS**  trans-8898.9-175.333.1-29.5000109.5M1230M1230-P1232 WeakPolarHBondContact O-CD 3.33Å
1233S21.7Very low22.2Very low98 Ų98154.3 Ų154.369%0.68578%0.778SS**  trans-161.286.4169.8157.30000107.8N1231N1231-S1233 PolarHBondContact O-N 2.94Å
1234Y24.1Very low22.4Very low236 Ų236152 Ų15293%0.92577%0.773SS**SBendtrans-171.9135.3140.6-112.7-81.5000111N1236Y1234-N1236 PolarHBondContact O-N 2.86Å
1235N25.4Very low22.3Very low156 Ų156149.2 Ų149.283%0.83477%0.767SS**  trans-60.8111.5-168.1-93.8-35.4000116.2N1237N1235-N1237 PolarHBondContact O-N 2.85Å
1236N26Very low22.3Very low141 Ų141147.1 Ų147.175%0.75476%0.759SS**SBendtrans284131.9-101.7-1.2000126.9Y1234Y1234-N1236 PolarHBondContact O-N 2.86Å
1237N25.5Very low22.5Very low152 Ų152144.2 Ų144.281%0.81375%0.749SS**SBendtrans-121.65179.7-85.1-8.9000118.1N1235N1235-N1237 PolarHBondContact O-N 2.85Å
1238N23.1Very low22.9Very low120 Ų120146 Ų14664%0.64275%0.751SS**  trans-121.623.2176.7-77.3-3.9000115.5Q1240 Q1241N1238-Q1240 PolarHBondContact O-N 2.79Å; N1238-Q1241 PolarHBondContact O-N 3.31Å
1239V24.3Very low23.2Very low95 Ų95142 Ų14258%0.57674%0.739SS**THydrogen-bonded Turntrans-62.7-11.4175.7179.50000113S1242V1239-S1242 PolarHBondContact O-OG 3.27Å
1240Q23.9Very low23.7Very low195 Ų195134.8 Ų134.891%0.91172%0.718SS**THydrogen-bonded Turntrans-86.2-5169.8-87.7-177.8-32.500115.4N1238N1238-Q1240 PolarHBondContact O-N 2.79Å
1241Q22.7Very low24.3Very low138 Ų138129.7 Ų129.765%0.64569%0.693SS**THydrogen-bonded Turntrans-111.2-6.7172.9-76.8-174.5-9.800114.4N1238 F1243 S1244N1238-Q1241 PolarHBondContact O-N 3.31Å; Q1241-F1243 PolarHBondContact O-N 2.75Å; Q1241-S1244 PolarHBondContact O-OG 2.87Å
1242S21.4Very low25Very low84 Ų84129.3 Ų129.359%0.58768%0.681SS**THydrogen-bonded Turntrans-77.5-3.1173.749.90000114.6V1239V1239-S1242 PolarHBondContact O-OG 3.27Å
1243F22.1Very low25.7Very low183 Ų183129.6 Ų129.680%0.80367%0.672SS**THydrogen-bonded Turntrans-100.31.9175.3-77.7-75.3000114.6Q1241Q1241-F1243 PolarHBondContact O-N 2.75Å
1244S22.8Very low26.2Very low93 Ų93128 Ų12865%0.6566%0.655SS**SBendtrans-95.69.3179.367.90000115.3Q1241Q1241-S1244 PolarHBondContact O-OG 2.87Å
1245C20.3Very low26.8Very low100 Ų100123 Ų12368%0.67664%0.635SS**  trans-135.467179.7-640000112.4N1247C1245-N1247 VanDerWaalsContact C-N 3.31Å; C1245-N1247 PolarHBondContact O-N 2.84Å
1246M21.3Very low27.4Very low132 Ų132118.8 Ų118.865%0.6561%0.61SS**  trans-77.889.5151.5-83.2-172.285.700107.4
1247N24.2Very low28.2Very low116 Ų116117.2 Ų117.262%0.6260%0.6SS**  trans-76.2145.7162.9-108.60.1000108.7C1245 D1249 N1250C1245-N1247 VanDerWaalsContact C-N 3.31Å; C1245-N1247 PolarHBondContact O-N 2.84Å; N1247-D1249 PolarHBondContact O-N 2.82Å; N1247-N1250 PolarHBondContact O-N 3.27Å; N1247-N1250 VanDerWaalsContact O-N 3.13Å
1248N29Very low28.9Very low137 Ų137113 Ų11373%0.73358%0.577SS**THydrogen-bonded Turntrans-51.2-18.6-179.7-78.3-22.4000114.3N1250 L1251N1248-N1250 VanDerWaalsContact C-N 3.34Å; N1248-N1250 PolarHBondContact O-N 2.86Å; N1248-L1251 WeakPolarHBondContact O-CB 3.22Å; N1248-L1251 PolarHBondContact O-N 3.12Å
1249D27Very low29.7Very low117 Ų117111 Ų11163%0.62657%0.566SS**Hα-helixtrans-66.4-30179.5-55.6-39.9000113.2N1247 L1251 Y1252N1247-D1249 PolarHBondContact O-N 2.82Å; D1249-L1251 VanDerWaalsContact C-N 3.33Å; D1249-L1251 PolarHBondContact O-N 2.96Å; D1249-Y1252 WeakPolarHBondContact O-CB 3.49Å; D1249-Y1252 PolarHBondContact O-N 3.32Å
1250N29.3Very low30.7Very low85 Ų85109.8 Ų109.846%0.45556%0.559SS.*Hα-helixtrans-75.3-20.1179-78.80.6000113.7N1247 N1248 Y1252 M1254N1247-N1250 PolarHBondContact O-N 3.27Å; N1247-N1250 VanDerWaalsContact O-N 3.13Å; N1248-N1250 VanDerWaalsContact C-N 3.34Å; N1248-N1250 PolarHBondContact O-N 2.86Å; N1250-Y1252 VanDerWaalsContact C-N 3.31Å; N1250-M1254 PolarHBondContact O-N 3.42Å
1251L33.1Very low31.5Very low60 Ų60106 Ų10631%0.31454%0.539SS..Hα-helixtrans-66.5-38.3173.2-110.7147000110.1L1125 N1248 D1249 M1254 Y1255L1125-L1251 HydrophobicContact CD2-CD2 4.29Å; N1248-L1251 WeakPolarHBondContact O-CB 3.22Å; N1248-L1251 PolarHBondContact O-N 3.12Å; D1249-L1251 VanDerWaalsContact C-N 3.33Å; D1249-L1251 PolarHBondContact O-N 2.96Å; L1251-M1254 PolarHBondContact O-N 3.37Å; L1251-Y1255 HydrophobicContact CD2-CD2 3.91Å; L1251-Y1255 HydrophobicContact CD2-CE2 3.47Å; L1251-Y1255 VanDerWaalsContact CD2-CE2 3.47Å; L1251-Y1255 WeakPolarHBondContact O-CB 3.44Å; L1251-Y1255 VanDerWaalsContact O-CD2 3.23Å; L1251-Y1255 WeakPolarHBondContact O-CD2 3.24Å; L1251-Y1255 PolarHBondContact O-N 3.46Å
1252Y36.3Very low32.4Very low155 Ų155103.3 Ų103.361%0.60853%0.532SS*.Hα-helixtrans-64.1-44.5175.9-174.8-97.6000111.9D1249 N1250 M1254 Y1255 Q1256D1249-Y1252 WeakPolarHBondContact O-CB 3.49Å; D1249-Y1252 PolarHBondContact O-N 3.32Å; N1250-Y1252 VanDerWaalsContact C-N 3.31Å; Y1252-M1254 PolarHBondContact O-N 3.04Å; Y1252-Y1255 PolarHBondContact O-N 2.99Å; Y1252-Q1256 HydrophobicContact CD1-CG 3.95Å; Y1252-Q1256 HydrophobicContact CE1-CG 3.63Å; Y1252-Q1256 HydrophobicContact CE2-CG 4.49Å; Y1252-Q1256 VanDerWaalsContact CZ-NE2 3.32Å; Y1252-Q1256 WeakPolarHBondContact O-CB 3.34Å; Y1252-Q1256 VanDerWaalsContact O-CG 3.27Å; Y1252-Q1256 WeakPolarHBondContact O-CG 3.47Å; Y1252-Q1256 PolarHBondContact O-N 3.25Å; Y1252-Q1256 PolarHBondContact OH-NE2 3.3Å
1253E35.8Very low33.4Very low129 Ų129102.5 Ų102.560%0.60352%0.523SS*.Hα-helixtrans-62.3-40.1176.7-76.5-160.9164.100112.5Q1256 I1257E1253-Q1256 CarbonylContact O-C 3.54Å; E1253-Q1256 WeakPolarHBondContact O-CB 3.37Å; E1253-Q1256 PolarHBondContact O-N 3.4Å; E1253-I1257 VanDerWaalsContact O-CG1 3.3Å; E1253-I1257 WeakPolarHBondContact O-CG1 3.45Å; E1253-I1257 PolarHBondContact O-N 3.11Å
1254M32.4Very low34.4Very low65 Ų6598.7 Ų98.732%0.3251%0.511SS..Hα-helixtrans-71-39.7176.7-78.2-149.5-66.300113.2I1129 N1250 L1251 Y1252 Q1256 I1257 I1258I1129-M1254 HydrophobicContact CD1-CE 3.38Å; I1129-M1254 HydrophobicContact CD1-SD 3.58Å; I1129-M1254 VanDerWaalsContact CD1-SD 3.58Å; N1250-M1254 PolarHBondContact O-N 3.42Å; L1251-M1254 PolarHBondContact O-N 3.37Å; Y1252-M1254 PolarHBondContact O-N 3.04Å; M1254-Q1256 VanDerWaalsContact C-N 3.27Å; M1254-Q1256 PolarHBondContact O-N 3.31Å; M1254-I1257 PolarHBondContact O-N 3.13Å; M1254-I1257 VanDerWaalsContact O-N 3.16Å; M1254-I1258 WeakPolarHBondContact O-CG1 3.34Å; M1254-I1258 PolarHBondContact O-N 3.42Å
1255Y37Very low35Very low130 Ų13096.9 Ų96.951%0.5149%0.494SS..Hα-helixtrans-61.2-40.2170.3-88.6-67.3000110.7L1251 Y1252 I1257 I1258 I1259L1251-Y1255 HydrophobicContact CD2-CD2 3.91Å; L1251-Y1255 HydrophobicContact CD2-CE2 3.47Å; L1251-Y1255 VanDerWaalsContact CD2-CE2 3.47Å; L1251-Y1255 WeakPolarHBondContact O-CB 3.44Å; L1251-Y1255 VanDerWaalsContact O-CD2 3.23Å; L1251-Y1255 WeakPolarHBondContact O-CD2 3.24Å; L1251-Y1255 PolarHBondContact O-N 3.46Å; Y1252-Y1255 PolarHBondContact O-N 2.99Å; Y1255-I1257 PolarHBondContact O-N 3.13Å; Y1255-I1258 PolarHBondContact O-N 3.2Å; Y1255-I1259 VanDerWaalsContact O-CB 3.28Å; Y1255-I1259 WeakPolarHBondContact O-CB 3.46Å; Y1255-I1259 WeakPolarHBondContact O-CD1 3.47Å; Y1255-I1259 WeakPolarHBondContact O-CG1 3.33Å; Y1255-I1259 PolarHBondContact O-N 3.18Å
1256Q38.9Very low36Very low67 Ų6796.6 Ų96.631%0.31349%0.486SS..Hα-helixtrans-62.4-40.1172.7-76.8-64.8-7.700111.5Y1252 E1253 M1254 I1259 T1260Y1252-Q1256 HydrophobicContact CD1-CG 3.95Å; Y1252-Q1256 HydrophobicContact CE1-CG 3.63Å; Y1252-Q1256 HydrophobicContact CE2-CG 4.49Å; Y1252-Q1256 VanDerWaalsContact CZ-NE2 3.32Å; Y1252-Q1256 WeakPolarHBondContact O-CB 3.34Å; Y1252-Q1256 VanDerWaalsContact O-CG 3.27Å; Y1252-Q1256 WeakPolarHBondContact O-CG 3.47Å; Y1252-Q1256 PolarHBondContact O-N 3.25Å; Y1252-Q1256 PolarHBondContact OH-NE2 3.3Å; E1253-Q1256 CarbonylContact O-C 3.54Å; E1253-Q1256 WeakPolarHBondContact O-CB 3.37Å; E1253-Q1256 PolarHBondContact O-N 3.4Å; M1254-Q1256 VanDerWaalsContact C-N 3.27Å; M1254-Q1256 PolarHBondContact O-N 3.31Å; Q1256-I1259 PolarHBondContact O-N 3.37Å; Q1256-T1260 WeakPolarHBondContact O-CA 3.37Å; Q1256-T1260 WeakPolarHBondContact O-CB 3.47Å; Q1256-T1260 PolarHBondContact O-N 3.32Å; Q1256-T1260 PolarHBondContact O-OG1 3.38Å
1257I42.6Very low36.9Very low108 Ų10896.8 Ų96.855%0.55449%0.485SS*.Hα-helixtrans-63.3-44.9175.7-69.3162.3000111.2E1253 M1254 Y1255 T1260 K1261E1253-I1257 VanDerWaalsContact O-CG1 3.3Å; E1253-I1257 WeakPolarHBondContact O-CG1 3.45Å; E1253-I1257 PolarHBondContact O-N 3.11Å; M1254-I1257 PolarHBondContact O-N 3.13Å; M1254-I1257 VanDerWaalsContact O-N 3.16Å; Y1255-I1257 PolarHBondContact O-N 3.13Å; I1257-T1260 PolarHBondContact O-N 3.05Å; I1257-K1261 WeakPolarHBondContact O-CB 3.26Å; I1257-K1261 PolarHBondContact O-N 3.19Å
1258I38.8Very low37.5Very low64 Ų6497.4 Ų97.433%0.32848%0.484SS..Hα-helixtrans-63.7-47.3177.1-65.3171.2000110M1254 Y1255 T1260 K1261 V1262M1254-I1258 WeakPolarHBondContact O-CG1 3.34Å; M1254-I1258 PolarHBondContact O-N 3.42Å; Y1255-I1258 PolarHBondContact O-N 3.2Å; I1258-T1260 VanDerWaalsContact C-N 3.33Å; I1258-T1260 PolarHBondContact O-N 2.84Å; I1258-K1261 PolarHBondContact O-N 2.91Å; I1258-V1262 HydrophobicContact CG2-CG2 4.34Å; I1258-V1262 WeakPolarHBondContact O-CB 3.27Å; I1258-V1262 VanDerWaalsContact O-CG2 3.27Å; I1258-V1262 WeakPolarHBondContact O-CG2 3.45Å; I1258-V1262 PolarHBondContact O-N 3.43Å
1259I41.3Very low37.6Very low78 Ų7892 Ų9240%0.446%0.456SS..Hα-helixtrans-59-45.9175.5-70.2165.6000109.8Y1255 Q1256 K1261 V1262 T1263Y1255-I1259 VanDerWaalsContact O-CB 3.28Å; Y1255-I1259 WeakPolarHBondContact O-CB 3.46Å; Y1255-I1259 WeakPolarHBondContact O-CD1 3.47Å; Y1255-I1259 WeakPolarHBondContact O-CG1 3.33Å; Y1255-I1259 PolarHBondContact O-N 3.18Å; Q1256-I1259 PolarHBondContact O-N 3.37Å; I1259-K1261 VanDerWaalsContact C-N 3.31Å; I1259-K1261 PolarHBondContact O-N 3.42Å; I1259-V1262 CarbonylContact O-C 3.58Å; I1259-V1262 PolarHBondContact O-N 3.3Å; I1259-T1263 HydrophobicContact CG2-CG2 3.97Å; I1259-T1263 WeakPolarHBondContact O-CB 3.2Å; I1259-T1263 VanDerWaalsContact O-CG2 3.24Å; I1259-T1263 WeakPolarHBondContact O-CG2 3.47Å; I1259-T1263 PolarHBondContact O-N 3.15Å; I1259-T1263 PolarHBondContact O-OG1 2.98Å
1260T44.5Very low37.9Very low69 Ų6992.5 Ų92.542%0.42345%0.452SS..Hα-helixtrans-62.9-38.9179.3-49.50000110.3Q1256 I1257 I1258 T1263 L1264Q1256-T1260 WeakPolarHBondContact O-CA 3.37Å; Q1256-T1260 WeakPolarHBondContact O-CB 3.47Å; Q1256-T1260 PolarHBondContact O-N 3.32Å; Q1256-T1260 PolarHBondContact O-OG1 3.38Å; I1257-T1260 PolarHBondContact O-N 3.05Å; I1258-T1260 VanDerWaalsContact C-N 3.33Å; I1258-T1260 PolarHBondContact O-N 2.84Å; T1260-T1263 VanDerWaalsContact CA-OG1 3.25Å; T1260-T1263 WeakPolarHBondContact CA-OG1 3.33Å; T1260-T1263 PolarHBondContact O-OG1 3.12Å; T1260-L1264 WeakPolarHBondContact O-CB 3.26Å; T1260-L1264 PolarHBondContact O-N 2.86Å
1261K40.5Very low38.4Very low117 Ų11790.3 Ų90.351%0.50945%0.45SS..Hα-helixtrans-69.1-41.8176-125.8170.6-179.4-179.90111.8L1133 I1257 I1258 I1259 L1265L1133-K1261 HydrophobicContact CD2-CD 4.4Å; I1257-K1261 WeakPolarHBondContact O-CB 3.26Å; I1257-K1261 PolarHBondContact O-N 3.19Å; I1258-K1261 PolarHBondContact O-N 2.91Å; I1259-K1261 VanDerWaalsContact C-N 3.31Å; I1259-K1261 PolarHBondContact O-N 3.42Å; K1261-L1265 WeakPolarHBondContact O-CB 3.26Å; K1261-L1265 VanDerWaalsContact O-CD1 3.27Å; K1261-L1265 WeakPolarHBondContact O-CD1 3.4Å; K1261-L1265 PolarHBondContact O-N 3.48Å
1262V41.2Very low38.4Very low80 Ų8090.1 Ų90.149%0.48545%0.448SS..Hα-helixtrans-67.2-39175.7172.80000111.2I1258 I1259 L1265 N1266I1258-V1262 HydrophobicContact CG2-CG2 4.34Å; I1258-V1262 WeakPolarHBondContact O-CB 3.27Å; I1258-V1262 VanDerWaalsContact O-CG2 3.27Å; I1258-V1262 WeakPolarHBondContact O-CG2 3.45Å; I1258-V1262 PolarHBondContact O-N 3.43Å; I1259-V1262 CarbonylContact O-C 3.58Å; I1259-V1262 PolarHBondContact O-N 3.3Å; V1262-L1265 CarbonylContact O-C 3.59Å; V1262-L1265 WeakPolarHBondContact O-CB 3.43Å; V1262-L1265 PolarHBondContact O-N 3.03Å; V1262-N1266 WeakPolarHBondContact O-CB 3.41Å; V1262-N1266 PolarHBondContact O-N 2.88Å
1263T43.3Very low38.2Very low67 Ų6787 Ų8741%0.41144%0.442SS..Hα-helixtrans-72.6-37.3176.656.50000111.5I1259 T1260 L1265 N1266 E1267I1259-T1263 HydrophobicContact CG2-CG2 3.97Å; I1259-T1263 WeakPolarHBondContact O-CB 3.2Å; I1259-T1263 VanDerWaalsContact O-CG2 3.24Å; I1259-T1263 WeakPolarHBondContact O-CG2 3.47Å; I1259-T1263 PolarHBondContact O-N 3.15Å; I1259-T1263 PolarHBondContact O-OG1 2.98Å; T1260-T1263 VanDerWaalsContact CA-OG1 3.25Å; T1260-T1263 WeakPolarHBondContact CA-OG1 3.33Å; T1260-T1263 PolarHBondContact O-OG1 3.12Å; T1263-L1265 VanDerWaalsContact C-N 3.31Å; T1263-N1266 CarbonylContact O-C 3.59Å; T1263-N1266 WeakPolarHBondContact O-CA 3.48Å; T1263-N1266 PolarHBondContact O-N 3.29Å; T1263-E1267 WeakPolarHBondContact O-CG 3.29Å; T1263-E1267 PolarHBondContact O-N 2.68Å
1264L43.6Very low38.2Very low104 Ų10486.7 Ų86.755%0.54545%0.445SS..Hα-helixtrans-67-35.4173.2-154.1150.4000110.5T1260 N1266 E1267 H1268T1260-L1264 WeakPolarHBondContact O-CB 3.26Å; T1260-L1264 PolarHBondContact O-N 2.86Å; L1264-N1266 VanDerWaalsContact C-N 3.32Å; L1264-N1266 PolarHBondContact O-N 3.07Å; L1264-E1267 PolarHBondContact O-N 3.49Å; L1264-H1268 PolarHBondContact O-N 3.47Å; L1264-H1268 VanDerWaalsContact O-N 3.17Å
1265L35.6Very low38.2Very low55 Ų5590.3 Ų90.329%0.28846%0.459SS..Hα-helixtrans-62.4-34.6166-107.585.8000112.6K1261 V1262 T1263 Y1293K1261-L1265 WeakPolarHBondContact O-CB 3.26Å; K1261-L1265 VanDerWaalsContact O-CD1 3.27Å; K1261-L1265 WeakPolarHBondContact O-CD1 3.4Å; K1261-L1265 PolarHBondContact O-N 3.48Å; V1262-L1265 CarbonylContact O-C 3.59Å; V1262-L1265 WeakPolarHBondContact O-CB 3.43Å; V1262-L1265 PolarHBondContact O-N 3.03Å; T1263-L1265 VanDerWaalsContact C-N 3.31Å; L1265-Y1293 WeakPolarHBondContact CB-OH 3.47Å; L1265-Y1293 HydrophobicContact CD2-CE2 4.19Å; L1265-Y1293 WeakPolarHBondContact CD2-OH 3.48Å; L1265-Y1293 WeakPolarHBondContact CG-OH 3.37Å; L1265-Y1293 PolarHBondContact O-OH 2.78Å
1266N40.4Very low37.9Very low94 Ų9487.6 Ų87.650%0.50345%0.452SS..Hα-helixtrans-85-20.5179.4-15631.7000113.5V1262 T1263 L1264 T1269 K1270V1262-N1266 WeakPolarHBondContact O-CB 3.41Å; V1262-N1266 PolarHBondContact O-N 2.88Å; T1263-N1266 CarbonylContact O-C 3.59Å; T1263-N1266 WeakPolarHBondContact O-CA 3.48Å; T1263-N1266 PolarHBondContact O-N 3.29Å; L1264-N1266 VanDerWaalsContact C-N 3.32Å; L1264-N1266 PolarHBondContact O-N 3.07Å; N1266-T1269 VanDerWaalsContact C-OG1 3.26Å; N1266-T1269 WeakPolarHBondContact CA-OG1 3.46Å; N1266-T1269 PolarHBondContact O-OG1 2.84Å; N1266-T1269 PolarHBondContact OD1-OG1 3.48Å; N1266-T1269 VanDerWaalsContact OD1-OG1 3.09Å; N1266-K1270 PolarHBondContact O-N 2.94Å
1267E40.8Very low37.7Very low136 Ų13692.3 Ų92.364%0.63647%0.474SS*.Hα-helixtrans-72.6-37.5167.9-75.1-109.6140.700109.9T1263 L1264 T1269 K1270 G1271T1263-E1267 WeakPolarHBondContact O-CG 3.29Å; T1263-E1267 PolarHBondContact O-N 2.68Å; L1264-E1267 PolarHBondContact O-N 3.49Å; E1267-T1269 VanDerWaalsContact C-N 3.25Å; E1267-T1269 PolarHBondContact O-N 2.95Å; E1267-K1270 PolarHBondContact O-N 3.28Å; E1267-G1271 PolarHBondContact O-N 3.46Å
1268H37Very low37.4Very low129 Ų12993.9 Ų93.960%0.59748%0.484SS*.Hα-helixtrans-59.2-34.3172.4-100-80.1000112.7L1264 I1272L1264-H1268 PolarHBondContact O-N 3.47Å; L1264-H1268 VanDerWaalsContact O-N 3.17Å; H1268-I1272 WeakPolarHBondContact O-CG1 3.18Å; H1268-I1272 PolarHBondContact O-N 3.5Å
1269T30.4Very low36.9Very low23 Ų2395.8 Ų95.814%0.14149%0.494CS..Hα-helixtrans-72.4-40.4173.349.80000112.3N1266 E1267 G1271 I1272 D1273 Y1293N1266-T1269 VanDerWaalsContact C-OG1 3.26Å; N1266-T1269 WeakPolarHBondContact CA-OG1 3.46Å; N1266-T1269 PolarHBondContact O-OG1 2.84Å; N1266-T1269 PolarHBondContact OD1-OG1 3.48Å; N1266-T1269 VanDerWaalsContact OD1-OG1 3.09Å; E1267-T1269 VanDerWaalsContact C-N 3.25Å; E1267-T1269 PolarHBondContact O-N 2.95Å; T1269-G1271 VanDerWaalsContact C-N 3.32Å; T1269-G1271 PolarHBondContact O-N 3.28Å; T1269-I1272 WeakPolarHBondContact O-CA 3.5Å; T1269-I1272 WeakPolarHBondContact O-CB 3.32Å; T1269-I1272 PolarHBondContact O-N 3.27Å; T1269-D1273 PolarHBondContact O-N 3.24Å; T1269-Y1293 HydrophobicContact CG2-CD1 3.83Å; T1269-Y1293 HydrophobicContact CG2-CE1 3.47Å; T1269-Y1293 VanDerWaalsContact CG2-CE1 3.47Å
1270K33.5Very low36.6Very low128 Ų12899.5 Ų99.556%0.55752%0.515SS*.Hα-helixtrans-63.3-35.2173.6-75.4-176.1179.4178.10113.5N1266 E1267 I1272 D1273 N1274N1266-K1270 PolarHBondContact O-N 2.94Å; E1267-K1270 PolarHBondContact O-N 3.28Å; K1270-I1272 PolarHBondContact O-N 2.98Å; K1270-D1273 PolarHBondContact O-N 3.01Å; K1270-N1274 PolarHBondContact O-N 3.17Å
1271G40.1Very low36.1Very low39 Ų39105.6 Ų105.640%0.40254%0.538SS..Hα-helixtrans-64.7-25.817300000113.1E1267 T1269E1267-G1271 PolarHBondContact O-N 3.46Å; T1269-G1271 VanDerWaalsContact C-N 3.32Å; T1269-G1271 PolarHBondContact O-N 3.28Å
1272I33.5Very low35.8Very low55 Ų55102.6 Ų102.628%0.28253%0.532SS..Hα-helixtrans-79-41.9172.6-65.2166.2000110H1268 T1269 K1270 N1274 K1275 I1276 I1286 T1290H1268-I1272 WeakPolarHBondContact O-CG1 3.18Å; H1268-I1272 PolarHBondContact O-N 3.5Å; T1269-I1272 WeakPolarHBondContact O-CA 3.5Å; T1269-I1272 WeakPolarHBondContact O-CB 3.32Å; T1269-I1272 PolarHBondContact O-N 3.27Å; K1270-I1272 PolarHBondContact O-N 2.98Å; I1272-N1274 PolarHBondContact O-N 3.49Å; I1272-K1275 CarbonylContact O-C 3.58Å; I1272-K1275 WeakPolarHBondContact O-CA 3.28Å; I1272-K1275 WeakPolarHBondContact O-CB 3.33Å; I1272-K1275 PolarHBondContact O-N 2.95Å; I1272-I1276 HydrophobicContact CG2-CD1 4.09Å; I1272-I1276 HydrophobicContact CG2-CG1 4.47Å; I1272-I1276 WeakPolarHBondContact O-CG1 3.36Å; I1272-I1276 PolarHBondContact O-N 2.82Å; I1272-I1286 HydrophobicContact CG2-CG2 3.34Å; I1272-T1290 HydrophobicContact CG2-CG2 4.05Å
1273D30.8Very low35.3Very low91 Ų91102.8 Ų102.849%0.48754%0.537SS..Hα-helixtrans-60.6-41.9175.9-74.7-21.9000112.7T1269 K1270 K1275 I1276 E1277T1269-D1273 PolarHBondContact O-N 3.24Å; K1270-D1273 PolarHBondContact O-N 3.01Å; D1273-K1275 PolarHBondContact O-N 3.34Å; D1273-I1276 WeakPolarHBondContact O-CB 3.34Å; D1273-I1276 PolarHBondContact O-N 2.88Å; D1273-E1277 PolarHBondContact O-N 3.04Å
1274N35.4Very low34.8Very low121 Ų121104.9 Ų104.965%0.64755%0.55SS**Hα-helixtrans-67.8-20.9174.4-77.4-10.4000113.4K1270 I1272K1270-N1274 PolarHBondContact O-N 3.17Å; I1272-N1274 PolarHBondContact O-N 3.49Å
1275K34.1Very low34.2Very low142 Ų142103.5 Ų103.562%0.61755%0.549SS*.Hα-helixtrans-82.8-22.2170.6-83.6-179.7175.7177.40112.5I1272 D1273I1272-K1275 CarbonylContact O-C 3.58Å; I1272-K1275 WeakPolarHBondContact O-CA 3.28Å; I1272-K1275 WeakPolarHBondContact O-CB 3.33Å; I1272-K1275 PolarHBondContact O-N 2.95Å; D1273-K1275 PolarHBondContact O-N 3.34Å
1276I30.8Very low34Very low73 Ų73103 Ų10337%0.37455%0.546SS..Hα-helixtrans-71.4-33.7178.1-71.1168.1000111.2I1272 D1273 N1278 I1286I1272-I1276 HydrophobicContact CG2-CD1 4.09Å; I1272-I1276 HydrophobicContact CG2-CG1 4.47Å; I1272-I1276 WeakPolarHBondContact O-CG1 3.36Å; I1272-I1276 PolarHBondContact O-N 2.82Å; D1273-I1276 WeakPolarHBondContact O-CB 3.34Å; D1273-I1276 PolarHBondContact O-N 2.88Å; I1276-N1278 VanDerWaalsContact C-N 3.28Å; I1276-N1278 PolarHBondContact O-N 2.89Å; I1276-I1286 HydrophobicContact CD1-CG2 4.04Å; I1276-I1286 HydrophobicContact CG1-CG2 4.06Å
1277E34Very low33.7Very low166 Ų166103.3 Ų103.378%0.77655%0.547SS*.THydrogen-bonded Turntrans-68.2-23.6176.9-82-169.3160.700114.1D1273D1273-E1277 PolarHBondContact O-N 3.04Å
1278N35.4Very low33.5Very low141 Ų141101.3 Ų101.375%0.75454%0.54SS*.THydrogen-bonded Turntrans-103.11.6-172.9-82-33.1000115.7I1276I1276-N1278 VanDerWaalsContact C-N 3.28Å; I1276-N1278 PolarHBondContact O-N 2.89Å
1279L28.4Very low33.4Very low103 Ų10397.3 Ų97.354%0.53953%0.525SS..  trans-133.975.4-174.5-74.3165.6000112.4Q1281L1279-Q1281 VanDerWaalsContact C-N 3.26Å; L1279-Q1281 PolarHBondContact O-N 3Å
1280N35.2Very low33.8Very low156 Ų15697.1 Ų97.183%0.83452%0.524SS*.THydrogen-bonded Turntrans-62.985.3158.7-76.5-29.8000109.6
1281Q33.7Very low34.3Very low197 Ų19795.8 Ų95.892%0.92152%0.523SS*.THydrogen-bonded Turntrans164.95.5144-89.71725.100115.4L1279L1279-Q1281 VanDerWaalsContact C-N 3.26Å; L1279-Q1281 PolarHBondContact O-N 3Å
1282S33.8Very low34.4Very low54 Ų5494.8 Ų94.838%0.37851%0.509SS..  trans-124.129.6174.769.20000114.4T1284S1282-T1284 VanDerWaalsContact C-N 3.29Å; S1282-T1284 PolarHBondContact O-N 3.35Å
1283S31.6Very low35Very low84 Ų8494.2 Ų94.259%0.58750%0.504SS*.Hα-helixtrans-65.7-20.1-169.451.40000115.4L1287S1283-L1287 VanDerWaalsContact O-CB 3.24Å; S1283-L1287 WeakPolarHBondContact O-CB 3.42Å; S1283-L1287 PolarHBondContact O-N 2.82Å
1284T32.2Very low35.7Very low112 Ų11294.2 Ų94.269%0.68750%0.503SS*.Hα-helixtrans-78-35.7-171.749.90000114.5S1282 L1288S1282-T1284 VanDerWaalsContact C-N 3.29Å; S1282-T1284 PolarHBondContact O-N 3.35Å; T1284-L1288 PolarHBondContact O-N 2.96Å
1285S31.5Very low36.4Very low74 Ų7490.5 Ų90.552%0.51749%0.487SS..Hα-helixtrans-76.5-39.1-179.866.80000112.2L1288 T1289S1285-L1288 WeakPolarHBondContact O-CB 3.19Å; S1285-L1288 PolarHBondContact O-N 2.69Å; S1285-T1289 PolarHBondContact O-N 2.82Å; S1285-T1289 VanDerWaalsContact O-N 3.12Å; S1285-T1289 PolarHBondContact O-OG1 2.88Å
1286I32Very low37.2Very low44 Ų4484 Ų8423%0.22646%0.459CS..Hα-helixtrans-68.7-45.2-179.1-62.2173.1000110.3I1272 I1276 L1288 T1289 T1290I1272-I1286 HydrophobicContact CG2-CG2 3.34Å; I1276-I1286 HydrophobicContact CD1-CG2 4.04Å; I1276-I1286 HydrophobicContact CG1-CG2 4.06Å; I1286-L1288 PolarHBondContact O-N 3.24Å; I1286-T1289 WeakPolarHBondContact CA-OG1 3.22Å; I1286-T1289 PolarHBondContact O-N 2.93Å; I1286-T1289 VanDerWaalsContact O-N 3.16Å; I1286-T1289 PolarHBondContact O-OG1 3.12Å; I1286-T1290 PolarHBondContact O-N 3.46Å; I1286-T1290 PolarHBondContact O-OG1 3.12Å
1287L34.2Very low38.2Very low101 Ų10184.5 Ų84.553%0.52946%0.462SS..Hα-helixtrans-61.6-33.7176.1-164.278.6000112.1S1283 T1290 N1291S1283-L1287 VanDerWaalsContact O-CB 3.24Å; S1283-L1287 WeakPolarHBondContact O-CB 3.42Å; S1283-L1287 PolarHBondContact O-N 2.82Å; L1287-T1290 WeakPolarHBondContact CA-OG1 3.37Å; L1287-T1290 PolarHBondContact O-OG1 2.84Å; L1287-T1290 VanDerWaalsContact O-OG1 3.12Å; L1287-N1291 WeakPolarHBondContact O-CB 3.15Å; L1287-N1291 PolarHBondContact O-N 3.25Å; L1287-N1291 VanDerWaalsContact O-N 3.14Å; L1287-N1291 PolarHBondContact O-ND2 3.48Å
1288L36.2Very low38.9Very low95 Ų9584.5 Ų84.550%0.49746%0.456SS..Hα-helixtrans-65.1-47.6174.6-12789.9000111.1T1284 S1285 I1286 T1290 N1291 C1292T1284-L1288 PolarHBondContact O-N 2.96Å; S1285-L1288 WeakPolarHBondContact O-CB 3.19Å; S1285-L1288 PolarHBondContact O-N 2.69Å; I1286-L1288 PolarHBondContact O-N 3.24Å; L1288-T1290 PolarHBondContact O-N 2.87Å; L1288-N1291 PolarHBondContact O-N 3.29Å; L1288-C1292 PolarHBondContact O-N 2.91Å; L1288-C1292 PolarHBondContact O-SG 3.21Å
1289T34.5Very low39.8Very low45 Ų4578.7 Ų78.728%0.27643%0.426SS..Hα-helixtrans-63.7-39.5-179.649.50000112.7S1146 S1285 I1286 C1292 Y1293S1146-T1289 WeakPolarHBondContact OG-CG2 3.38Å; S1285-T1289 PolarHBondContact O-N 2.82Å; S1285-T1289 VanDerWaalsContact O-N 3.12Å; S1285-T1289 PolarHBondContact O-OG1 2.88Å; I1286-T1289 WeakPolarHBondContact CA-OG1 3.22Å; I1286-T1289 PolarHBondContact O-N 2.93Å; I1286-T1289 VanDerWaalsContact O-N 3.16Å; I1286-T1289 PolarHBondContact O-OG1 3.12Å; T1289-C1292 PolarHBondContact O-N 2.71Å; T1289-Y1293 VanDerWaalsContact O-CB 3.32Å; T1289-Y1293 WeakPolarHBondContact O-CB 3.47Å; T1289-Y1293 PolarHBondContact O-N 3.46Å
1290T39.5Very low41.1Very low19 Ų1974.9 Ų74.912%0.11741%0.405CS..Hα-helixtrans-67.3-42.1176.635.90000112.4I1272 I1286 L1287 L1288 C1292 Y1293 L1294I1272-T1290 HydrophobicContact CG2-CG2 4.05Å; I1286-T1290 PolarHBondContact O-N 3.46Å; I1286-T1290 PolarHBondContact O-OG1 3.12Å; L1287-T1290 WeakPolarHBondContact CA-OG1 3.37Å; L1287-T1290 PolarHBondContact O-OG1 2.84Å; L1287-T1290 VanDerWaalsContact O-OG1 3.12Å; L1288-T1290 PolarHBondContact O-N 2.87Å; T1290-C1292 VanDerWaalsContact C-N 3.33Å; T1290-C1292 PolarHBondContact O-N 3.29Å; T1290-Y1293 WeakPolarHBondContact O-CB 3.43Å; T1290-Y1293 PolarHBondContact O-N 2.76Å; T1290-L1294 PolarHBondContact O-N 2.97Å
1291N42.8Very low41.9Very low100 Ų10069.8 Ų69.854%0.53538%0.382SS..Hα-helixtrans-62.7-40.3174.9-78.6-18.1000112.2L1287 L1288 Y1293 L1294 S1295L1287-N1291 WeakPolarHBondContact O-CB 3.15Å; L1287-N1291 PolarHBondContact O-N 3.25Å; L1287-N1291 VanDerWaalsContact O-N 3.14Å; L1287-N1291 PolarHBondContact O-ND2 3.48Å; L1288-N1291 PolarHBondContact O-N 3.29Å; N1291-Y1293 VanDerWaalsContact C-N 3.31Å; N1291-Y1293 PolarHBondContact O-N 3.21Å; N1291-L1294 PolarHBondContact O-N 2.79Å; N1291-S1295 PolarHBondContact O-N 3.03Å; N1291-S1295 VanDerWaalsContact O-N 3.14Å
1292C41.8Very low42.7Very low17 Ų1765.1 Ų65.112%0.11536%0.36CS..Hα-helixtrans-63.6-41.2177.3-660000111.8T1148 L1288 T1289 T1290 S1295 N1296T1148-C1292 HydrophobicContact CG2-CB 3.36Å; T1148-C1292 VanDerWaalsContact CG2-SG 3.55Å; L1288-C1292 PolarHBondContact O-N 2.91Å; L1288-C1292 PolarHBondContact O-SG 3.21Å; T1289-C1292 PolarHBondContact O-N 2.71Å; T1290-C1292 VanDerWaalsContact C-N 3.33Å; T1290-C1292 PolarHBondContact O-N 3.29Å; C1292-S1295 PolarHBondContact O-N 3.44Å; C1292-N1296 PolarHBondContact O-N 3.4Å; C1292-N1296 VanDerWaalsContact O-N 3.1Å
1293Y47.6Very low44Very low44 Ų4462.7 Ų62.717%0.17334%0.343CS..Hα-helixtrans-64.3-45.6178.1-170.6-93.7000112.7T1143 L1265 T1269 T1289 T1290 N1291 S1295 N1296 I1297T1143-Y1293 HydrophobicContact CG2-CD2 3.53Å; T1143-Y1293 HydrophobicContact CG2-CG 4.1Å; L1265-Y1293 WeakPolarHBondContact CB-OH 3.47Å; L1265-Y1293 HydrophobicContact CD2-CE2 4.19Å; L1265-Y1293 WeakPolarHBondContact CD2-OH 3.48Å; L1265-Y1293 WeakPolarHBondContact CG-OH 3.37Å; L1265-Y1293 PolarHBondContact O-OH 2.78Å; T1269-Y1293 HydrophobicContact CG2-CD1 3.83Å; T1269-Y1293 HydrophobicContact CG2-CE1 3.47Å; T1269-Y1293 VanDerWaalsContact CG2-CE1 3.47Å; T1289-Y1293 VanDerWaalsContact O-CB 3.32Å; T1289-Y1293 WeakPolarHBondContact O-CB 3.47Å; T1289-Y1293 PolarHBondContact O-N 3.46Å; T1290-Y1293 WeakPolarHBondContact O-CB 3.43Å; T1290-Y1293 PolarHBondContact O-N 2.76Å; N1291-Y1293 VanDerWaalsContact C-N 3.31Å; N1291-Y1293 PolarHBondContact O-N 3.21Å; Y1293-S1295 VanDerWaalsContact C-N 3.35Å; Y1293-S1295 PolarHBondContact O-N 3.22Å; Y1293-N1296 PolarHBondContact O-N 3.03Å; Y1293-I1297 HydrophobicContact CD1-CD1 3.54Å; Y1293-I1297 HydrophobicContact CD1-CG1 4.4Å; Y1293-I1297 HydrophobicContact CE1-CD1 3.39Å; Y1293-I1297 HydrophobicContact CE1-CG1 4.4Å; Y1293-I1297 WeakPolarHBondContact O-CG1 3.46Å; Y1293-I1297 PolarHBondContact O-N 2.81Å
1294L45.4Very low45.1Very low90 Ų9061.1 Ų61.147%0.47133%0.328SS..Hα-helixtrans-59-43.8174.7-98.5124.2000112.2T1290 N1291 I1297 Y1298T1290-L1294 PolarHBondContact O-N 2.97Å; N1291-L1294 PolarHBondContact O-N 2.79Å; L1294-I1297 PolarHBondContact O-N 2.9Å; L1294-Y1298 HydrophobicContact CD2-CE2 4.11Å; L1294-Y1298 VanDerWaalsContact O-CD2 3.26Å; L1294-Y1298 WeakPolarHBondContact O-CD2 3.48Å; L1294-Y1298 PolarHBondContact O-N 3.36Å; L1294-Y1298 VanDerWaalsContact O-N 3.09Å
1295S50.6Low45.9Very low44 Ų4460.2 Ų60.231%0.30832%0.317SS..Hα-helixtrans-61.7-44.8178.3-178.40000112.2N1291 C1292 Y1293 I1297 Y1298 S1299N1291-S1295 PolarHBondContact O-N 3.03Å; N1291-S1295 VanDerWaalsContact O-N 3.14Å; C1292-S1295 PolarHBondContact O-N 3.44Å; Y1293-S1295 VanDerWaalsContact C-N 3.35Å; Y1293-S1295 PolarHBondContact O-N 3.22Å; S1295-I1297 VanDerWaalsContact C-N 3.31Å; S1295-I1297 PolarHBondContact O-N 2.99Å; S1295-Y1298 PolarHBondContact O-N 3.06Å; S1295-S1299 WeakPolarHBondContact O-CB 3.41Å; S1295-S1299 PolarHBondContact O-N 3.44Å
1296N50.9Low46.8Very low6 Ų659.6 Ų59.63%0.03231%0.306CS..Hα-helixtrans-64.1-33.8176.5-72.6-17.5000112.2L1139 T1143 Y1147 T1148 V1149 C1292 Y1293 F1300L1139-N1296 HydrophobicContact CD2-CB 4.44Å; T1143-N1296 PolarHBondContact OG1-ND2 3.41Å; Y1147-N1296 PolarHBondContact O-ND2 2.93Å; Y1147-N1296 VanDerWaalsContact O-ND2 3.11Å; T1148-N1296 WeakPolarHBondContact CA-OD1 3.12Å; V1149-N1296 PolarHBondContact N-OD1 2.85Å; C1292-N1296 PolarHBondContact O-N 3.4Å; C1292-N1296 VanDerWaalsContact O-N 3.1Å; Y1293-N1296 PolarHBondContact O-N 3.03Å; N1296-F1300 WeakPolarHBondContact O-CB 3.3Å; N1296-F1300 PolarHBondContact O-N 2.77Å
1297I51Low48.1Very low83 Ų8357.6 Ų57.643%0.42630%0.296SS..Hα-helixtrans-64.5-46.7174.3-72.3171.3000111.7Y1293 L1294 S1295 S1299 F1300 S1301Y1293-I1297 HydrophobicContact CD1-CD1 3.54Å; Y1293-I1297 HydrophobicContact CD1-CG1 4.4Å; Y1293-I1297 HydrophobicContact CE1-CD1 3.39Å; Y1293-I1297 HydrophobicContact CE1-CG1 4.4Å; Y1293-I1297 WeakPolarHBondContact O-CG1 3.46Å; Y1293-I1297 PolarHBondContact O-N 2.81Å; L1294-I1297 PolarHBondContact O-N 2.9Å; S1295-I1297 VanDerWaalsContact C-N 3.31Å; S1295-I1297 PolarHBondContact O-N 2.99Å; I1297-S1299 VanDerWaalsContact C-N 3.34Å; I1297-S1299 PolarHBondContact O-N 3.22Å; I1297-F1300 PolarHBondContact O-N 2.92Å; I1297-S1301 PolarHBondContact O-N 2.94Å
1298Y49.7Very low48.9Very low166 Ų16656.8 Ų56.865%0.65129%0.292SS*.Hα-helixtrans-62.4-42177-83.6-72.8000112.1L1294 S1295 F1300 S1301 Q1302L1294-Y1298 HydrophobicContact CD2-CE2 4.11Å; L1294-Y1298 VanDerWaalsContact O-CD2 3.26Å; L1294-Y1298 WeakPolarHBondContact O-CD2 3.48Å; L1294-Y1298 PolarHBondContact O-N 3.36Å; L1294-Y1298 VanDerWaalsContact O-N 3.09Å; S1295-Y1298 PolarHBondContact O-N 3.06Å; Y1298-F1300 VanDerWaalsContact C-N 3.33Å; Y1298-F1300 PolarHBondContact O-N 2.84Å; Y1298-S1301 PolarHBondContact O-N 3.38Å; Y1298-S1301 PolarHBondContact O-OG 2.88Å; Y1298-Q1302 PolarHBondContact O-N 3.19Å
1299S53.4Low49.5Very low19 Ų1957.6 Ų57.613%0.13329%0.294CS..Hα-helixtrans-58.9-43.6173.2-89.50000112V1149 F1152 S1295 I1297 L1303V1149-S1299 PolarHBondContact O-OG 3.16Å; F1152-S1299 VanDerWaalsContact CB-CB 3.48Å; S1295-S1299 WeakPolarHBondContact O-CB 3.41Å; S1295-S1299 PolarHBondContact O-N 3.44Å; I1297-S1299 VanDerWaalsContact C-N 3.34Å; I1297-S1299 PolarHBondContact O-N 3.22Å; S1299-L1303 PolarHBondContact O-N 3.1Å
1300F56Low50.3Low22 Ų2256 Ų5610%0.09629%0.285CS..Hα-helixtrans-69.9-37.2178.5-175.6-112.1000113L1132 I1135 L1136 L1139 N1296 I1297 Y1298 Q1302 L1303 I1304L1132-F1300 HydrophobicContact CB-CZ 4.31Å; L1132-F1300 HydrophobicContact CD2-CE2 3.79Å; L1132-F1300 HydrophobicContact CD2-CZ 3.73Å; I1135-F1300 HydrophobicContact CB-CE2 4.26Å; I1135-F1300 HydrophobicContact CG2-CD2 3.78Å; I1135-F1300 HydrophobicContact CG2-CE2 3.75Å; L1136-F1300 HydrophobicContact CD1-CE1 3.91Å; L1136-F1300 HydrophobicContact CD1-CZ 3.65Å; L1136-F1300 HydrophobicContact CD2-CD1 3.95Å; L1136-F1300 HydrophobicContact CD2-CE1 3.57Å; L1136-F1300 HydrophobicContact CD2-CE2 4.25Å; L1136-F1300 HydrophobicContact CD2-CG 4.42Å; L1136-F1300 HydrophobicContact CD2-CZ 3.77Å; L1136-F1300 HydrophobicContact CG-CD1 4.49Å; L1136-F1300 HydrophobicContact CG-CE1 3.73Å; L1136-F1300 HydrophobicContact CG-CE2 3.86Å; L1136-F1300 HydrophobicContact CG-CZ 3.39Å; L1139-F1300 HydrophobicContact CD1-CB 4.04Å; L1139-F1300 HydrophobicContact CD1-CD2 3.94Å; L1139-F1300 HydrophobicContact CD1-CG 4.27Å; N1296-F1300 WeakPolarHBondContact O-CB 3.3Å; N1296-F1300 PolarHBondContact O-N 2.77Å; I1297-F1300 PolarHBondContact O-N 2.92Å; Y1298-F1300 VanDerWaalsContact C-N 3.33Å; Y1298-F1300 PolarHBondContact O-N 2.84Å; F1300-Q1302 VanDerWaalsContact C-N 3.34Å; F1300-Q1302 PolarHBondContact O-N 2.97Å; F1300-L1303 PolarHBondContact O-N 2.85Å; F1300-I1304 HydrophobicContact CD1-CD1 3.74Å; F1300-I1304 HydrophobicContact CD1-CG1 4.42Å; F1300-I1304 HydrophobicContact CE1-CD1 3.37Å; F1300-I1304 HydrophobicContact CE1-CG1 4.07Å; F1300-I1304 HydrophobicContact CZ-CD1 3.92Å; F1300-I1304 HydrophobicContact CZ-CG1 4.16Å; F1300-I1304 PolarHBondContact O-N 2.89Å
1301S51.5Low50.8Low50 Ų5056 Ų5635%0.3528%0.284SS..Hα-helixtrans-65.1-37.7177.465.40000112.1I1297 Y1298 L1303 I1304 I1305I1297-S1301 PolarHBondContact O-N 2.94Å; Y1298-S1301 PolarHBondContact O-N 3.38Å; Y1298-S1301 PolarHBondContact O-OG 2.88Å; S1301-L1303 PolarHBondContact O-N 3.26Å; S1301-I1304 PolarHBondContact O-N 3.48Å; S1301-I1305 WeakPolarHBondContact O-CG1 3.35Å; S1301-I1305 PolarHBondContact O-N 3.35Å; S1301-I1305 VanDerWaalsContact O-N 3.14Å
1302Q51.4Low51Low99 Ų9955.5 Ų55.546%0.46328%0.281SS..Hα-helixtrans-61.3-43.3173.5-172.665.713.500111.9Y1298 F1300 I1304 I1305 E1306Y1298-Q1302 PolarHBondContact O-N 3.19Å; F1300-Q1302 VanDerWaalsContact C-N 3.34Å; F1300-Q1302 PolarHBondContact O-N 2.97Å; Q1302-I1304 PolarHBondContact O-N 2.9Å; Q1302-I1305 WeakPolarHBondContact O-CB 3Å; Q1302-I1305 PolarHBondContact O-N 3.05Å; Q1302-E1306 PolarHBondContact O-N 2.99Å; Q1302-E1306 VanDerWaalsContact O-N 3.08Å
1303L60.4Low51.1Low2 Ų257.1 Ų57.11%0.0129%0.287CS..Hα-helixtrans-65.2-37.8177.3-174.373.2000112.3I1135 F1152 V1157 S1299 F1300 S1301 I1305 E1306 L1307I1135-L1303 HydrophobicContact CD1-CD2 3.54Å; I1135-L1303 HydrophobicContact CG2-CD2 4.31Å; F1152-L1303 HydrophobicContact CD1-CB 4.47Å; F1152-L1303 HydrophobicContact CD1-CD2 4.28Å; F1152-L1303 HydrophobicContact CE1-CD2 3.74Å; V1157-L1303 HydrophobicContact CG2-CD2 4.09Å; S1299-L1303 PolarHBondContact O-N 3.1Å; F1300-L1303 PolarHBondContact O-N 2.85Å; S1301-L1303 PolarHBondContact O-N 3.26Å; L1303-I1305 VanDerWaalsContact C-N 3.29Å; L1303-I1305 PolarHBondContact O-N 2.9Å; L1303-E1306 PolarHBondContact O-N 3.3Å; L1303-L1307 HydrophobicContact CD2-CD1 4.33Å; L1303-L1307 HydrophobicContact CG-CD1 4.03Å; L1303-L1307 HydrophobicContact CG-CG 4.43Å; L1303-L1307 WeakPolarHBondContact O-CB 3.45Å; L1303-L1307 WeakPolarHBondContact O-CG 3.16Å; L1303-L1307 PolarHBondContact O-N 3.36Å
1304I54.5Low51.2Low52 Ų5256.5 Ų56.527%0.26729%0.287SS..Hα-helixtrans-58-45.3173.6-73.7170000110.2L1132 F1300 S1301 Q1302 E1306 L1307 I1308L1132-I1304 HydrophobicContact CD2-CG1 3.7Å; F1300-I1304 HydrophobicContact CD1-CD1 3.74Å; F1300-I1304 HydrophobicContact CD1-CG1 4.42Å; F1300-I1304 HydrophobicContact CE1-CD1 3.37Å; F1300-I1304 HydrophobicContact CE1-CG1 4.07Å; F1300-I1304 HydrophobicContact CZ-CD1 3.92Å; F1300-I1304 HydrophobicContact CZ-CG1 4.16Å; F1300-I1304 PolarHBondContact O-N 2.89Å; S1301-I1304 PolarHBondContact O-N 3.48Å; Q1302-I1304 PolarHBondContact O-N 2.9Å; I1304-E1306 PolarHBondContact O-N 3.21Å; I1304-L1307 PolarHBondContact O-N 2.98Å; I1304-I1308 HydrophobicContact CG2-CD1 3.51Å; I1304-I1308 HydrophobicContact CG2-CG1 4.15Å; I1304-I1308 WeakPolarHBondContact O-CB 3.2Å; I1304-I1308 VanDerWaalsContact O-CG1 3.28Å; I1304-I1308 WeakPolarHBondContact O-CG1 3.4Å; I1304-I1308 PolarHBondContact O-N 3.4Å
1305I49.6Very low51.3Low93 Ų9358.3 Ų58.348%0.47729%0.293SS..Hα-helixtrans-60.7-45.7178.4-64.5166.5000110.4S1301 Q1302 L1303 L1307 I1308 M1309S1301-I1305 WeakPolarHBondContact O-CG1 3.35Å; S1301-I1305 PolarHBondContact O-N 3.35Å; S1301-I1305 VanDerWaalsContact O-N 3.14Å; Q1302-I1305 WeakPolarHBondContact O-CB 3Å; Q1302-I1305 PolarHBondContact O-N 3.05Å; L1303-I1305 VanDerWaalsContact C-N 3.29Å; L1303-I1305 PolarHBondContact O-N 2.9Å; I1305-L1307 PolarHBondContact O-N 2.96Å; I1305-I1308 PolarHBondContact O-N 2.89Å; I1305-M1309 HydrophobicContact CG2-CG 4.43Å; I1305-M1309 WeakPolarHBondContact O-CB 3.39Å; I1305-M1309 VanDerWaalsContact O-CG 3.22Å; I1305-M1309 WeakPolarHBondContact O-CG 3.28Å; I1305-M1309 PolarHBondContact O-N 2.97Å
1306E50.8Low51Low60 Ų6059.8 Ų59.828%0.2830%0.297SS..Hα-helixtrans-59.4-44.5176.7-71.8-172.6-177.400112.4S1154 Q1302 L1303 I1304 M1309 A1310S1154-E1306 VanDerWaalsContact CB-OE2 3.3Å; S1154-E1306 WeakPolarHBondContact CB-OE2 3.37Å; S1154-E1306 PolarHBondContact N-OE2 3.31Å; S1154-E1306 PolarHBondContact OG-OE2 3.28Å; Q1302-E1306 PolarHBondContact O-N 2.99Å; Q1302-E1306 VanDerWaalsContact O-N 3.08Å; L1303-E1306 PolarHBondContact O-N 3.3Å; I1304-E1306 PolarHBondContact O-N 3.21Å; E1306-M1309 PolarHBondContact O-N 3.21Å; E1306-A1310 WeakPolarHBondContact O-CB 3.12Å; E1306-A1310 PolarHBondContact O-N 3.44Å
1307L58.2Low50.7Low3 Ų362.7 Ų62.72%0.01631%0.31CS..Hα-helixtrans-70.6-38.1-179.3-73.2171000112.9V1098 F1123 T1128 M1131 L1132 L1303 I1304 I1305 A1310 Q1311V1098-L1307 HydrophobicContact CG1-CD2 3.98Å; F1123-L1307 HydrophobicContact CZ-CD2 4.19Å; T1128-L1307 HydrophobicContact CG2-CB 4.29Å; M1131-L1307 HydrophobicContact CE-CD2 4.44Å; L1132-L1307 HydrophobicContact CD2-CD1 3.74Å; L1132-L1307 HydrophobicContact CG-CD1 4.24Å; L1303-L1307 HydrophobicContact CD2-CD1 4.33Å; L1303-L1307 HydrophobicContact CG-CD1 4.03Å; L1303-L1307 HydrophobicContact CG-CG 4.43Å; L1303-L1307 WeakPolarHBondContact O-CB 3.45Å; L1303-L1307 WeakPolarHBondContact O-CG 3.16Å; L1303-L1307 PolarHBondContact O-N 3.36Å; I1304-L1307 PolarHBondContact O-N 2.98Å; I1305-L1307 PolarHBondContact O-N 2.96Å; L1307-A1310 PolarHBondContact O-N 2.79Å; L1307-Q1311 PolarHBondContact O-N 2.89Å
1308I50.7Low50.3Low84 Ų8466 Ų6643%0.43132%0.323SS..Hα-helixtrans-64.5-46174.3-70.8172.8000109.9I1304 I1305 A1310 Q1311 L1312I1304-I1308 HydrophobicContact CG2-CD1 3.51Å; I1304-I1308 HydrophobicContact CG2-CG1 4.15Å; I1304-I1308 WeakPolarHBondContact O-CB 3.2Å; I1304-I1308 VanDerWaalsContact O-CG1 3.28Å; I1304-I1308 WeakPolarHBondContact O-CG1 3.4Å; I1304-I1308 PolarHBondContact O-N 3.4Å; I1305-I1308 PolarHBondContact O-N 2.89Å; I1308-A1310 VanDerWaalsContact C-N 3.28Å; I1308-A1310 PolarHBondContact O-N 3.01Å; I1308-Q1311 PolarHBondContact O-N 2.82Å; I1308-L1312 HydrophobicContact CG2-CD1 3.97Å; I1308-L1312 HydrophobicContact CG2-CG 4.41Å; I1308-L1312 WeakPolarHBondContact O-CG 3.45Å; I1308-L1312 PolarHBondContact O-N 2.8Å
1309M48.3Very low49.7Very low112 Ų11264.9 Ų64.955%0.55232%0.322SS*.Hα-helixtrans-59.7-41.6175.8-71.9-65-73.400111.1I1305 E1306 L1312 M1313I1305-M1309 HydrophobicContact CG2-CG 4.43Å; I1305-M1309 WeakPolarHBondContact O-CB 3.39Å; I1305-M1309 VanDerWaalsContact O-CG 3.22Å; I1305-M1309 WeakPolarHBondContact O-CG 3.28Å; I1305-M1309 PolarHBondContact O-N 2.97Å; E1306-M1309 PolarHBondContact O-N 3.21Å; M1309-L1312 PolarHBondContact O-N 3.14Å; M1309-M1313 WeakPolarHBondContact O-CB 3.01Å; M1309-M1313 WeakPolarHBondContact O-CG 3.32Å; M1309-M1313 PolarHBondContact O-N 3.07Å
1310A52.1Low48.9Very low11 Ų1167.9 Ų67.99%0.09133%0.332CS..Hα-helixtrans-63.3-42.8175.300000112.9L1102 E1306 L1307 I1308 M1313 L1314L1102-A1310 HydrophobicContact CD1-CB 3.65Å; L1102-A1310 HydrophobicContact CD2-CB 3.86Å; L1102-A1310 HydrophobicContact CG-CB 4.36Å; E1306-A1310 WeakPolarHBondContact O-CB 3.12Å; E1306-A1310 PolarHBondContact O-N 3.44Å; L1307-A1310 PolarHBondContact O-N 2.79Å; I1308-A1310 VanDerWaalsContact C-N 3.28Å; I1308-A1310 PolarHBondContact O-N 3.01Å; A1310-M1313 WeakPolarHBondContact O-CB 3.42Å; A1310-M1313 PolarHBondContact O-N 3.03Å; A1310-L1314 WeakPolarHBondContact O-CB 3.06Å; A1310-L1314 VanDerWaalsContact O-CG 3.27Å; A1310-L1314 WeakPolarHBondContact O-CG 3.18Å; A1310-L1314 PolarHBondContact O-N 2.93Å
1311Q51.2Low48.1Very low18 Ų1869.8 Ų69.88%0.08434%0.343CS..Hα-helixtrans-62.2-46.8175.8-177.366.112.600111.5L1307 I1308 M1313 L1314 E1315L1307-Q1311 PolarHBondContact O-N 2.89Å; I1308-Q1311 PolarHBondContact O-N 2.82Å; Q1311-M1313 VanDerWaalsContact C-N 3.28Å; Q1311-M1313 PolarHBondContact O-N 2.9Å; Q1311-L1314 PolarHBondContact O-N 3.07Å; Q1311-L1314 VanDerWaalsContact O-N 3.1Å; Q1311-E1315 PolarHBondContact NE2-OE1 2.8Å; Q1311-E1315 PolarHBondContact O-N 3.34Å
1312L45.3Very low47.4Very low90 Ų9071.6 Ų71.647%0.47135%0.349SS..Hα-helixtrans-59.8-39.1177.4-72.1170.6000111.8I1308 M1309 N1316I1308-L1312 HydrophobicContact CG2-CD1 3.97Å; I1308-L1312 HydrophobicContact CG2-CG 4.41Å; I1308-L1312 WeakPolarHBondContact O-CG 3.45Å; I1308-L1312 PolarHBondContact O-N 2.8Å; M1309-L1312 PolarHBondContact O-N 3.14Å; L1312-N1316 PolarHBondContact O-N 3.47Å
1313M44.7Very low46.6Very low51 Ų5171.1 Ų71.125%0.25135%0.349SS..Hα-helixtrans-65.3-38.4175-67.6-98.1-73.700112.3L1106 M1309 A1310 Q1311 K1317 F1320L1106-M1313 HydrophobicContact CD1-CE 4.22Å; L1106-M1313 HydrophobicContact CD2-CB 4.14Å; M1309-M1313 WeakPolarHBondContact O-CB 3.01Å; M1309-M1313 WeakPolarHBondContact O-CG 3.32Å; M1309-M1313 PolarHBondContact O-N 3.07Å; A1310-M1313 WeakPolarHBondContact O-CB 3.42Å; A1310-M1313 PolarHBondContact O-N 3.03Å; Q1311-M1313 VanDerWaalsContact C-N 3.28Å; Q1311-M1313 PolarHBondContact O-N 2.9Å; M1313-K1317 VanDerWaalsContact O-CA 3.3Å; M1313-K1317 WeakPolarHBondContact O-CA 3.38Å; M1313-K1317 PolarHBondContact O-N 3.38Å; M1313-K1317 VanDerWaalsContact O-N 3.16Å; M1313-F1320 HydrophobicContact CE-CD1 4.08Å; M1313-F1320 HydrophobicContact CE-CE1 3.54Å; M1313-F1320 HydrophobicContact CE-CZ 3.97Å; M1313-F1320 HydrophobicContact SD-CD1 3.62Å; M1313-F1320 HydrophobicContact SD-CD2 3.87Å; M1313-F1320 HydrophobicContact SD-CE1 3.25Å; M1313-F1320 WeakPolarHBondContact SD-CE1 3.03Å; M1313-F1320 HydrophobicContact SD-CE2 3.55Å; M1313-F1320 VanDerWaalsContact SD-CE2 3.55Å; M1313-F1320 HydrophobicContact SD-CG 3.91Å; M1313-F1320 HydrophobicContact SD-CZ 3.23Å; M1313-F1320 WeakPolarHBondContact SD-CZ 3.06Å
1314L48.9Very low45.3Very low32 Ų3274.7 Ų74.717%0.16837%0.367CS..Hα-helixtrans-74.8-42.9-179.4-73.3166.5000112.4L1102 V1105 L1106 F1123 A1310 Q1311 K1317L1102-L1314 HydrophobicContact CD2-CD1 4.27Å; V1105-L1314 HydrophobicContact CB-CD2 4.45Å; V1105-L1314 HydrophobicContact CG1-CD2 3.51Å; L1106-L1314 HydrophobicContact CD2-CD2 3.85Å; L1106-L1314 HydrophobicContact CD2-CG 4.22Å; L1106-L1314 HydrophobicContact CG-CD2 4.38Å; F1123-L1314 HydrophobicContact CB-CD1 4.13Å; F1123-L1314 HydrophobicContact CD1-CD1 3.57Å; F1123-L1314 HydrophobicContact CE1-CD1 4.28Å; F1123-L1314 HydrophobicContact CG-CD1 4.09Å; A1310-L1314 WeakPolarHBondContact O-CB 3.06Å; A1310-L1314 VanDerWaalsContact O-CG 3.27Å; A1310-L1314 WeakPolarHBondContact O-CG 3.18Å; A1310-L1314 PolarHBondContact O-N 2.93Å; Q1311-L1314 PolarHBondContact O-N 3.07Å; Q1311-L1314 VanDerWaalsContact O-N 3.1Å; L1314-K1317 WeakPolarHBondContact O-CB 3.45Å; L1314-K1317 PolarHBondContact O-N 2.53Å
1315E48.9Very low44.2Very low127 Ų12776 Ų7659%0.59337%0.372SS*.Hα-helixtrans-65.6-38.4177.6-79.2-179-172.900112.3Q1311Q1311-E1315 PolarHBondContact NE2-OE1 2.8Å; Q1311-E1315 PolarHBondContact O-N 3.34Å
1316N43.9Very low43.4Very low75 Ų7576.6 Ų76.640%0.40138%0.375SS..THydrogen-bonded Turntrans-101.326.5179.2-72-63000113.1L1312 H1318 K1319 F1320L1312-N1316 PolarHBondContact O-N 3.47Å; N1316-H1318 VanDerWaalsContact C-N 3.26Å; N1316-H1318 PolarHBondContact O-N 3.5Å; N1316-H1318 VanDerWaalsContact O-N 3.08Å; N1316-K1319 HydrophobicContact CB-CB 4.35Å; N1316-K1319 PolarHBondContact O-N 2.7Å; N1316-F1320 PolarHBondContact O-N 3.03Å
1317K43.8Very low42.4Very low67 Ų6777.2 Ų77.229%0.29138%0.377SS..Hα-helixtrans-46.5-44.9-174.3-178.1175.2-179.9175.20113.6M1313 L1314 I1321M1313-K1317 VanDerWaalsContact O-CA 3.3Å; M1313-K1317 WeakPolarHBondContact O-CA 3.38Å; M1313-K1317 PolarHBondContact O-N 3.38Å; M1313-K1317 VanDerWaalsContact O-N 3.16Å; L1314-K1317 WeakPolarHBondContact O-CB 3.45Å; L1314-K1317 PolarHBondContact O-N 2.53Å; K1317-I1321 HydrophobicContact CG-CD1 3.77Å; K1317-I1321 WeakPolarHBondContact O-CB 3.48Å; K1317-I1321 WeakPolarHBondContact O-CG1 3.2Å; K1317-I1321 PolarHBondContact O-N 2.82Å
1318H43.2Very low41.1Very low153 Ų15379.5 Ų79.571%0.70839%0.39SS*.Hα-helixtrans-67.1-47.6177.9-76.1-76.8000112.7N1316 F1320 I1321 D1322N1316-H1318 VanDerWaalsContact C-N 3.26Å; N1316-H1318 PolarHBondContact O-N 3.5Å; N1316-H1318 VanDerWaalsContact O-N 3.08Å; H1318-F1320 VanDerWaalsContact C-N 3.3Å; H1318-F1320 PolarHBondContact O-N 3.31Å; H1318-I1321 PolarHBondContact O-N 3.32Å; H1318-D1322 WeakPolarHBondContact O-CB 3.29Å; H1318-D1322 PolarHBondContact O-N 3.23Å
1319K36.1Very low40.1Very low143 Ų14381.3 Ų81.362%0.62239%0.394SS*.Hα-helixtrans-60.9-39.7175.9-85.5-178.6177.5175.10112N1316 D1322 I1323N1316-K1319 HydrophobicContact CB-CB 4.35Å; N1316-K1319 PolarHBondContact O-N 2.7Å; K1319-D1322 PolarHBondContact O-N 3.36Å; K1319-I1323 WeakPolarHBondContact O-CB 3.39Å; K1319-I1323 WeakPolarHBondContact O-CD1 3.5Å; K1319-I1323 WeakPolarHBondContact O-CG1 3.03Å; K1319-I1323 PolarHBondContact O-N 3.01Å
1320F37.3Very low39.1Very low81 Ų8181.6 Ų81.636%0.35540%0.398SS..Hα-helixtrans-72.6-40.7-178.8-162.6-97.9000112.1M1313 N1316 H1318 D1322 I1323 I1324M1313-F1320 HydrophobicContact CE-CD1 4.08Å; M1313-F1320 HydrophobicContact CE-CE1 3.54Å; M1313-F1320 HydrophobicContact CE-CZ 3.97Å; M1313-F1320 HydrophobicContact SD-CD1 3.62Å; M1313-F1320 HydrophobicContact SD-CD2 3.87Å; M1313-F1320 HydrophobicContact SD-CE1 3.25Å; M1313-F1320 WeakPolarHBondContact SD-CE1 3.03Å; M1313-F1320 HydrophobicContact SD-CE2 3.55Å; M1313-F1320 VanDerWaalsContact SD-CE2 3.55Å; M1313-F1320 HydrophobicContact SD-CG 3.91Å; M1313-F1320 HydrophobicContact SD-CZ 3.23Å; M1313-F1320 WeakPolarHBondContact SD-CZ 3.06Å; N1316-F1320 PolarHBondContact O-N 3.03Å; H1318-F1320 VanDerWaalsContact C-N 3.3Å; H1318-F1320 PolarHBondContact O-N 3.31Å; F1320-D1322 VanDerWaalsContact C-N 3.34Å; F1320-I1323 PolarHBondContact O-N 3.25Å; F1320-I1324 HydrophobicContact CD1-CD1 3.66Å; F1320-I1324 HydrophobicContact CD1-CG1 4.29Å; F1320-I1324 HydrophobicContact CE1-CD1 3.34Å; F1320-I1324 HydrophobicContact CE1-CG1 4.09Å; F1320-I1324 HydrophobicContact CZ-CD1 4.25Å; F1320-I1324 WeakPolarHBondContact O-CG1 3.33Å; F1320-I1324 PolarHBondContact O-N 2.6Å
1321I39.2Very low37.8Very low63 Ų6387.7 Ų87.732%0.32342%0.424SS..Hα-helixtrans-63.5-41.7171.7-70.3171.4000110.3K1317 H1318 I1323 I1324 Q1325K1317-I1321 HydrophobicContact CG-CD1 3.77Å; K1317-I1321 WeakPolarHBondContact O-CB 3.48Å; K1317-I1321 WeakPolarHBondContact O-CG1 3.2Å; K1317-I1321 PolarHBondContact O-N 2.82Å; H1318-I1321 PolarHBondContact O-N 3.32Å; I1321-I1323 VanDerWaalsContact C-N 3.33Å; I1321-I1323 PolarHBondContact O-N 3.05Å; I1321-I1324 PolarHBondContact O-N 3.3Å; I1321-Q1325 HydrophobicContact CG2-CG 4.01Å; I1321-Q1325 VanDerWaalsContact O-CB 3.28Å; I1321-Q1325 WeakPolarHBondContact O-CB 3.44Å; I1321-Q1325 VanDerWaalsContact O-CG 3.25Å; I1321-Q1325 WeakPolarHBondContact O-CG 3.4Å; I1321-Q1325 PolarHBondContact O-N 2.04Å
1322D37.5Very low36.6Very low87 Ų8794.1 Ų94.147%0.46546%0.459SS..Hα-helixtrans-62.9-40.1175.8-72.9-18.9000111.4H1318 K1319 F1320 Q1325 L1326H1318-D1322 WeakPolarHBondContact O-CB 3.29Å; H1318-D1322 PolarHBondContact O-N 3.23Å; K1319-D1322 PolarHBondContact O-N 3.36Å; F1320-D1322 VanDerWaalsContact C-N 3.34Å; D1322-Q1325 PolarHBondContact O-N 3.26Å; D1322-L1326 WeakPolarHBondContact O-CB 3.24Å; D1322-L1326 PolarHBondContact O-N 2.79Å
1323I34.6Very low35.6Very low90 Ų9092.7 Ų92.746%0.46247%0.466SS..Hα-helixtrans-61-48.5173-70.9163.2000110.3K1319 F1320 I1321 Q1325 L1326 F1327K1319-I1323 WeakPolarHBondContact O-CB 3.39Å; K1319-I1323 WeakPolarHBondContact O-CD1 3.5Å; K1319-I1323 WeakPolarHBondContact O-CG1 3.03Å; K1319-I1323 PolarHBondContact O-N 3.01Å; F1320-I1323 PolarHBondContact O-N 3.25Å; I1321-I1323 VanDerWaalsContact C-N 3.33Å; I1321-I1323 PolarHBondContact O-N 3.05Å; I1323-Q1325 PolarHBondContact O-N 2.99Å; I1323-L1326 PolarHBondContact O-N 2.87Å; I1323-F1327 HydrophobicContact CG2-CD2 3.92Å; I1323-F1327 HydrophobicContact CG2-CE2 4.13Å; I1323-F1327 WeakPolarHBondContact O-CB 3.4Å; I1323-F1327 WeakPolarHBondContact O-CD2 3.44Å; I1323-F1327 PolarHBondContact O-N 2.73Å
1324I33.2Very low34.5Very low76 Ų7699.6 Ų99.639%0.3950%0.497SS..Hα-helixtrans-63.9-39.9177.9-71.2177.2000111.6F1320 I1321 F1327 N1328F1320-I1324 HydrophobicContact CD1-CD1 3.66Å; F1320-I1324 HydrophobicContact CD1-CG1 4.29Å; F1320-I1324 HydrophobicContact CE1-CD1 3.34Å; F1320-I1324 HydrophobicContact CE1-CG1 4.09Å; F1320-I1324 HydrophobicContact CZ-CD1 4.25Å; F1320-I1324 WeakPolarHBondContact O-CG1 3.33Å; F1320-I1324 PolarHBondContact O-N 2.6Å; I1321-I1324 PolarHBondContact O-N 3.3Å; I1324-F1327 WeakPolarHBondContact O-CB 3.38Å; I1324-F1327 PolarHBondContact O-N 3.11Å; I1324-N1328 PolarHBondContact O-N 2.91Å
1325Q31Very low33.3Very low81 Ų81103.5 Ų103.538%0.37953%0.526SS..Hα-helixtrans-71.4-34179.3-74.1-172.8-5.600111.8N290 I1321 D1322 I1323 N1328 K1329N290-Q1325 PolarHBondContact ND2-O 3.23Å; N290-Q1325 VanDerWaalsContact OD1-CD 3.28Å; N290-Q1325 WeakPolarHBondContact OD1-CG 3.41Å; I1321-Q1325 HydrophobicContact CG2-CG 4.01Å; I1321-Q1325 VanDerWaalsContact O-CB 3.28Å; I1321-Q1325 WeakPolarHBondContact O-CB 3.44Å; I1321-Q1325 VanDerWaalsContact O-CG 3.25Å; I1321-Q1325 WeakPolarHBondContact O-CG 3.4Å; I1321-Q1325 PolarHBondContact O-N 2.04Å; D1322-Q1325 PolarHBondContact O-N 3.26Å; I1323-Q1325 PolarHBondContact O-N 2.99Å; Q1325-N1328 PolarHBondContact O-N 3.07Å; Q1325-K1329 WeakPolarHBondContact O-CB 3.32Å; Q1325-K1329 PolarHBondContact O-N 3.3Å; Q1325-K1329 VanDerWaalsContact O-N 3.07Å
1326L32.4Very low31.9Very low104 Ų104108.1 Ų108.155%0.54554%0.54SS..Hα-helixtrans-66.9-40.4168.6-113.3111.4000111.1D1322 I1323 N1328 Y1367D1322-L1326 WeakPolarHBondContact O-CB 3.24Å; D1322-L1326 PolarHBondContact O-N 2.79Å; I1323-L1326 PolarHBondContact O-N 2.87Å; L1326-N1328 VanDerWaalsContact C-N 3.29Å; L1326-N1328 PolarHBondContact O-N 2.71Å; L1326-Y1367 WeakPolarHBondContact CD2-OH 3.32Å; L1326-Y1367 PolarHBondContact O-OH 2.04Å
1327F29.6Very low30.9Very low73 Ų73112.8 Ų112.832%0.3256%0.559SS.*Hα-helixtrans-58.6-41.4173.4-103.4-82.9000111.7I1323 I1324 H1331 Y1367I1323-F1327 HydrophobicContact CG2-CD2 3.92Å; I1323-F1327 HydrophobicContact CG2-CE2 4.13Å; I1323-F1327 WeakPolarHBondContact O-CB 3.4Å; I1323-F1327 WeakPolarHBondContact O-CD2 3.44Å; I1323-F1327 PolarHBondContact O-N 2.73Å; I1324-F1327 WeakPolarHBondContact O-CB 3.38Å; I1324-F1327 PolarHBondContact O-N 3.11Å; F1327-H1331 PolarHBondContact O-CD2 3.5Å; F1327-Y1367 HydrophobicContact CD2-CE1 4.15Å; F1327-Y1367 HydrophobicContact CE2-CD1 4.28Å; F1327-Y1367 AromaticContact CE2-CE1 3.97Å; F1327-Y1367 HydrophobicContact CE2-CE1 3.97Å; F1327-Y1367 HydrophobicContact CG-CE1 4.5Å; F1327-Y1367 HydrophobicContact CZ-CD1 4.17Å; F1327-Y1367 HydrophobicContact CZ-CE1 4.17Å
1328N30.2Very low29.8Very low52 Ų52116.9 Ų116.928%0.27858%0.584SS.*Hα-helixtrans-87.5-15.8-175.2-76-17.2000115.2K288 I1324 Q1325 L1326K288-N1328 PolarHBondContact O-ND2 3.18Å; K288-N1328 VanDerWaalsContact O-ND2 3.15Å; I1324-N1328 PolarHBondContact O-N 2.91Å; Q1325-N1328 PolarHBondContact O-N 3.07Å; L1326-N1328 VanDerWaalsContact C-N 3.29Å; L1326-N1328 PolarHBondContact O-N 2.71Å
1329K29.8Very low28.8Very low121 Ų121118.8 Ų118.853%0.52660%0.596SS.*Hα-helixtrans-82.6-18-177.9-120.5167.3-171.8172.30114.7N290 Q1325N290-K1329 HydrophobicContact CB-CD 4.26Å; N290-K1329 HydrophobicContact CB-CG 4.36Å; N290-K1329 VanDerWaalsContact ND2-CD 3.29Å; N290-K1329 WeakPolarHBondContact ND2-CD 3.21Å; N290-K1329 VanDerWaalsContact ND2-CG 3.27Å; N290-K1329 WeakPolarHBondContact ND2-CG 2.85Å; Q1325-K1329 WeakPolarHBondContact O-CB 3.32Å; Q1325-K1329 PolarHBondContact O-N 3.3Å; Q1325-K1329 VanDerWaalsContact O-N 3.07Å
1330N28.6Very low28.1Very low118 Ų118119.4 Ų119.463%0.63161%0.606SS**THydrogen-bonded Turntrans-10118.8179.9-76.3-12.1000114.5
1331H25Very low27.3Very low139 Ų139123 Ų12364%0.64463%0.628SS**  trans-112.521.7177.2-78.7-54.6000115.2F1327F1327-H1331 PolarHBondContact O-CD2 3.5Å
1332N25.1Very low26.5Very low154 Ų154128.2 Ų128.282%0.82466%0.656SS**SBendtrans-109.7101.8169.4-76-9.5000111
1333G24.1Very low25.8Very low60 Ų60130.9 Ų130.962%0.61967%0.67SS**SBendtrans98.3110.2161.700000115.7
1334H22.9Very low25.2Very low195 Ų195136.9 Ų136.990%0.90369%0.687SS**  trans76.261.7160.6-51-69.8000118.1
1335C22.2Very low24.7Very low115 Ų115140.8 Ų140.878%0.77771%0.709SS**  trans-102.169.8159.1-720000111.4
1336Y21Very low24.3Very low224 Ų224142.4 Ų142.488%0.87873%0.729SS**  trans-129.1128.7150.2-99.4-77.3000108
1337Q21.7Very low23.9Very low173 Ų173143.9 Ų143.981%0.80874%0.742SS**SBendtrans98.6107166.1-59.4-179.2-12.500117.9
1338N22.3Very low23.5Very low152 Ų152145.3 Ų145.381%0.81376%0.761SS**  trans79.280.8141.1-60.9-11.8000118.5
1339M21.3Very low23.1Very low194 Ų194148.5 Ų148.596%0.95678%0.783SS**  trans-112.998.5151.3-82.6-81.3-103.900108.3
1340N21.3Very low22.7Very low156 Ų156154.3 Ų154.383%0.83480%0.801SS**  trans-129.4139.4163.5-113.5-3000107.8
1341L20.9Very low22.4Very low156 Ų156156 Ų15682%0.81781%0.81SS**  trans86.880.6168.1-63.2150.6000116.7
1342L22.9Very low22.3Very low172 Ų172157.1 Ų157.190%0.90182%0.82SS**  trans-82102.6138.4-88.8156.8000107.3
1343D22.6Very low22.1Very low144 Ų144156.9 Ų156.977%0.7782%0.819SS**  trans-69.1131.2175.3-153.5-2.9000109.8
1344R21Very low22Very low215 Ų215159.1 Ų159.181%0.81183%0.825SS**  trans-75.6119.7174.3-69.3175.6-178.7-167.5-1.1106.6
1345N23.9Very low22Very low159 Ų159155.8 Ų155.885%0.8582%0.824SS**  trans173.172.1143.5-85.1-20000110.9
1346S22.4Very low22Very low114 Ų114155.4 Ų155.480%0.79782%0.822SS**  trans179.2112.4146.841.60000107.6
1347V22.8Very low22Very low135 Ų135149.6 Ų149.682%0.81882%0.82SS**  trans165.264143.9-178.50000104.5
1348S21.5Very low21.9Very low103 Ų103147.9 Ų147.972%0.7282%0.817SS**  trans-76.6136.4149.350.90000106.8
1349T22Very low21.9Very low120 Ų120149 Ų14974%0.73682%0.815SS**  trans60.599.9167.863.70000114.7
1350W21.2Very low22Very low242 Ų242149 Ų14992%0.91781%0.809SS**  trans-136.7105.5138.4-90.7-0.1000109.4L1352W1350-L1352 PolarHBondContact O-N 3.48Å
1351N22.4Very low21.9Very low153 Ų153146 Ų14682%0.81880%0.801SS**  trans-77.299.8-179.7-159.52.5000107.2N1353N1351-N1353 VanDerWaalsContact C-N 3.28Å; N1351-N1353 PolarHBondContact O-N 2.76Å
1352L22.2Very low22Very low164 Ų164144 Ų14486%0.85980%0.8SS**  trans-82.970.7-176.7-77.2160.8000110.7W1350W1350-L1352 PolarHBondContact O-N 3.48Å
1353N21.7Very low21.9Very low149 Ų149140.6 Ų140.680%0.79779%0.791SS**  trans-121.179.4161.4-90.6-12.1000108.6N1351N1351-N1353 VanDerWaalsContact C-N 3.28Å; N1351-N1353 PolarHBondContact O-N 2.76Å
1354S22.7Very low21.9Very low107 Ų107140.5 Ų140.575%0.74879%0.79SS**  trans-162115.5151.853.20000111.1S1356S1354-S1356 PolarHBondContact O-N 3.36Å
1355S21.9Very low21.9Very low125 Ų125136 Ų13687%0.87479%0.786SS**  trans-58.9107.1165.449.20000110.6
1356S21.9Very low21.8Very low107 Ų107132.9 Ų132.975%0.74878%0.777SS**  trans-160.489.8148.545.90000108.4S1354 D1358S1354-S1356 PolarHBondContact O-N 3.36Å; S1356-D1358 PolarHBondContact O-N 3.47Å
1357A21.4Very low21.8Very low101 Ų101133 Ų13384%0.83576%0.761SS**  trans-70.3101.5162.200000107.7
1358D20.5Very low21.8Very low138 Ų138134.3 Ų134.374%0.73876%0.763SS**  trans-160.1116.7150.1-110.6-26.4000111.6S1356S1356-D1358 PolarHBondContact O-N 3.47Å
1359K21.8Very low22Very low175 Ų175137.5 Ų137.576%0.76176%0.76SS**  trans63.2111.8155.1-62.9169.5-175.7165.20118.1
1360F22.7Very low22Very low193 Ų193137.4 Ų137.485%0.84676%0.762SS**  160.189.2129.7-95.8-77.5000106.1
1361S20.6Very low22Very low93 Ų93132.4 Ų132.465%0.6576%0.758SS**  38.3100.290.274.20000114.4
1362S21.8Very low22Very low114 Ų114129.3 Ų129.380%0.79775%0.749SS**  trans66.690.7141.567.30000119
1363S21.8Very low21.9Very low102 Ų102129.7 Ų129.771%0.71375%0.749SS**  trans-164.4153.5132.155.60000109.6
1364N20.9Very low22Very low142 Ų142128.7 Ų128.776%0.75975%0.749SS**  trans77.9143.6169.1-57.4-10.7000115.9
1365T22.1Very low22Very low119 Ų119130.8 Ų130.873%0.7375%0.746SS**  cis-176.3148.5-3.822.70000105.6
1366S21.6Very low22.1Very low95 Ų95133.1 Ų133.166%0.66475%0.749SS**  trans29.5108.7151.460.10000120.9
1367Y23.2Very low22.1Very low116 Ų116134.9 Ų134.946%0.45575%0.749SS.*  trans-12.2129.9145.9-61.9-93.4000119.7L1326 F1327L1326-Y1367 WeakPolarHBondContact CD2-OH 3.32Å; L1326-Y1367 PolarHBondContact O-OH 2.04Å; F1327-Y1367 HydrophobicContact CD2-CE1 4.15Å; F1327-Y1367 HydrophobicContact CE2-CD1 4.28Å; F1327-Y1367 AromaticContact CE2-CE1 3.97Å; F1327-Y1367 HydrophobicContact CE2-CE1 3.97Å; F1327-Y1367 HydrophobicContact CG-CE1 4.5Å; F1327-Y1367 HydrophobicContact CZ-CD1 4.17Å; F1327-Y1367 HydrophobicContact CZ-CE1 4.17Å
1368L22.5Very low22.1Very low162 Ų162137.7 Ų137.785%0.84875%0.749SS**  trans-141.7141143.8-111.9109.8000110.3
1369Y24.8Very low22.3Very low170 Ų170140.6 Ų140.667%0.66776%0.758SS**  trans-69.1145.1-179.6-83.4-98.9000112.8T1371Y1369-T1371 PolarHBondContact O-N 3.27Å; Y1369-T1371 VanDerWaalsContact O-N 3.12Å
1370P21.7Very low22.3Very low119 Ų119137.6 Ų137.677%0.77376%0.76SS**SBendtrans-86.878.6174.535-30.8000110.6
1371T21.7Very low22.5Very low136 Ų136134.1 Ų134.183%0.83476%0.756SS**SBendtrans-147.954.2146.752.50000109.4Y1369Y1369-T1371 PolarHBondContact O-N 3.27Å; Y1369-T1371 VanDerWaalsContact O-N 3.12Å
1372S22Very low22.6Very low89 Ų89138.1 Ų138.162%0.62277%0.765SS**  trans-176.777.4159.757.10000111.2
1373I21.4Very low22.8Very low171 Ų171138.1 Ų138.188%0.87776%0.762SS**  trans-12267.5153.3-53.7177.9000107
1374V22.8Very low22.8Very low129 Ų129138.9 Ų138.978%0.78277%0.765SS**SBendtrans-144.9134148.4-1750000104.9
1375H23.8Very low22.8Very low151 Ų151139.8 Ų139.870%0.69977%0.768SS**  trans7678.1-175.2-84.2-62.6000117.7L1377H1375-L1377 PolarHBondContact ND1-O 3.38Å
1376N23Very low22.8Very low173 Ų173143.1 Ų143.193%0.92578%0.776SS**  trans-11830.8148.7-118.3-5.3000112.1
1377L21.5Very low22.7Very low145 Ų145147.3 Ų147.376%0.75979%0.785SS**SBendtrans-121.3128.9168.2-75.7164.5000107.4H1375H1375-L1377 PolarHBondContact ND1-O 3.38Å
1378L22.4Very low22.7Very low159 Ų159150.2 Ų150.283%0.83280%0.803SS**SBendtrans94.865.7-179.1-53.5159.1000114.7
1379Q23.4Very low22.6Very low199 Ų199149.2 Ų149.293%0.9380%0.798SS**  trans-167.2103.6136.7-10516634.200111.1
1380S23.4Very low22.4Very low113 Ų113147.6 Ų147.679%0.7980%0.8SS**  trans-147.4155146.669.50000107.5
1381P26.8Very low22.4Very low119 Ų119147.9 Ų147.977%0.77380%0.795SS**  -126.2146.4-6626.7-10.3000111.2
1382Q22.3Very low22.4Very low178 Ų178147.4 Ų147.483%0.83279%0.792SS**PPolyproline II helixtrans-58.6132.8170.4-76.6175.9-62.600111.2
1383P25.6Very low22.4Very low114 Ų114149.1 Ų149.174%0.7480%0.804SS**PPolyproline II helixtrans-74.8158157.130.8-26.5000110.3
1384P22.3Very low22.4Very low118 Ų118149.2 Ų149.277%0.76680%0.801SS**PPolyproline II helixtrans-88.1140.9-147.22.715.8000112.6Q1386P1384-Q1386 PolarHBondContact O-N 3.33Å
1385L20Very low22.4Very low160 Ų160149.2 Ų149.284%0.83880%0.797SS**PPolyproline II helixtrans-57.2118161.4-79.7102.8000109.7
1386Q22Very low22.4Very low190 Ų190149.7 Ų149.789%0.88880%0.804SS**PPolyproline II helixtrans-82.4124.4154.1-81.6-178.6-29.700108.7P1384P1384-Q1386 PolarHBondContact O-N 3.33Å
1387Q20.6Very low22.2Very low182 Ų182151.6 Ų151.685%0.8580%0.8SS**PPolyproline II helixtrans-50.6134.3157.3-84.7153.9-63.900110.6
1388E22.3Very low22.1Very low178 Ų178153.3 Ų153.383%0.83280%0.802SS**  trans-175.1109133-100.9166.1-171.600106.2
1389N20.5Very low22.2Very low141 Ų141153.1 Ų153.175%0.75480%0.801SS**  78.4124.685.5-90.7-10.3000113.5
1390L21.4Very low22.1Very low135 Ų135153.4 Ų153.471%0.70781%0.805SS**  trans82.1113.2153.2-82.586.5000119.5
1391D21.1Very low21.8Very low125 Ų125156.5 Ų156.567%0.66880%0.804SS**  85.5118.5119.6-68-3.7000121.6
1392T21.9Very low21.6Very low126 Ų126157.9 Ų157.977%0.77380%0.8SS**  trans69.6109.3137.8600000118.2
1393S23.1Very low21.6Very low125 Ų125155.2 Ų155.287%0.87480%0.801SS**  175.5134.7112.638.90000111.1
1394E20.6Very low21.2Very low173 Ų173156.9 Ų156.981%0.80880%0.803SS**  trans-67.7160.3171.6-70167.4136.500111.9
1395D22.7Very low21.2Very low130 Ų130158.4 Ų158.470%0.69580%0.803SS**  trans67.9104.2151.7-58.9-21.9000119.3
1396N23Very low21.1Very low160 Ų160156 Ų15686%0.85680%0.8SS**  179.8126.593.8-93.9-56.1000113.1
1397Y18.5Very low21.1Very low214 Ų214152.4 Ų152.484%0.83980%0.795SS**  trans-69.9150.5161.6-130.1-103.6000109.9
1398K21.5Very low21.2Very low181 Ų181151.1 Ų151.179%0.78780%0.795SS**  trans91.7101.3168.5-56.9170.8179.3172.30115.3
1399D23.4Very low21Very low155 Ų155153.8 Ų153.883%0.82980%0.797SS**  -177.991115.1-88.4-20.2000110.2
1400M20.5Very low21Very low204 Ų204153.2 Ų153.2100%1.00580%0.799SS**  trans-143.574.1155.9-111.6167.68900108.2
1401K18.6Very low21Very low179 Ų179154.1 Ų154.178%0.77880%0.803SS**  trans-106.8123.5165.3-119.5-173.3176.3179.80107.7
1402H22Very low20.9Very low148 Ų148156 Ų15669%0.68581%0.808SS**  trans6790159.2-63.3-79.5000119.1
1403S21.7Very low20.8Very low121 Ų121155.2 Ų155.285%0.84681%0.806SS**  trans-113.676.4136.155.40000109.3
1404L18.1Very low20.7Very low149 Ų149158.1 Ų158.178%0.7881%0.805SS**  trans-81.8101.2157.5-101.8143.8000106.4
1405I21.1Very low20.7Very low150 Ų150155.6 Ų155.677%0.76980%0.802SS**  trans-121.1108.8158.8-64.9177.5000106.4S1407I1405-S1407 PolarHBondContact O-N 3.14Å
1406S19.6Very low20.7Very low110 Ų110155.8 Ų155.877%0.76980%0.802SS**  trans-57.1121.8159.849.80000109.8
1407S22.2Very low20.6Very low114 Ų114154.3 Ų154.380%0.79780%0.801SS**  trans-128.4108.915055.70000108I1405I1405-S1407 PolarHBondContact O-N 3.14Å
1408D21Very low20.7Very low156 Ų156148 Ų14883%0.83479%0.785SS**  trans-57.7150.6173.1-96.3-45.3000111.5T1410D1408-T1410 PolarHBondContact O-N 3.32Å
1409R19.7Very low20.7Very low234 Ų234149 Ų14988%0.88380%0.795SS**  trans-55.7117175.4-63.6166.2175.7-177.9-1.4111.5
1410T19.6Very low20.6Very low128 Ų128149.5 Ų149.579%0.78579%0.79SS**  trans-140.775.8142.244.50000108.4D1408 E1412D1408-T1410 PolarHBondContact O-N 3.32Å; T1410-E1412 PolarHBondContact O-N 3.26Å
1411I21.3Very low20.6Very low155 Ų155147.6 Ų147.680%0.79578%0.779SS**  trans-75.690.2159.5-62.7174.6000105.5C1413I1411-C1413 PolarHBondContact O-N 3.18Å
1412E20Very low20.7Very low165 Ų165148 Ų14877%0.77179%0.788SS**  trans-6199.7161.3-76.3-178.8152.600107.7T1410 Q1414T1410-E1412 PolarHBondContact O-N 3.26Å; E1412-Q1414 VanDerWaalsContact C-N 3.29Å; E1412-Q1414 PolarHBondContact O-N 2.99Å
1413C19.8Very low20.6Very low108 Ų108145 Ų14573%0.7378%0.784SS**  trans-64.695.1165.8-71.70000108I1411 T1415I1411-C1413 PolarHBondContact O-N 3.18Å; C1413-T1415 PolarHBondContact O-N 3.27Å
1414Q20.9Very low20.6Very low186 Ų186146.2 Ų146.287%0.86978%0.781SS**  trans-57.1106.6168.7-78-178.1-20.500109.3E1412E1412-Q1414 VanDerWaalsContact C-N 3.29Å; E1412-Q1414 PolarHBondContact O-N 2.99Å
1415T19.6Very low20.8Very low121 Ų121144.7 Ų144.774%0.74278%0.78SS**  trans-72.7124.7173.242.80000111C1413C1413-T1415 PolarHBondContact O-N 3.27Å
1416L22.2Very low20.8Very low134 Ų134143 Ų14370%0.70278%0.781SS**  trans63.8141.3159-91.678.1000117.9T1418L1416-T1418 HydrophobicContact CD2-CG2 3.56Å
1417P22Very low20.8Very low128 Ų128143.8 Ų143.883%0.83179%0.786SS**  -120.4110.5104.130.7-24.9000110.3M1419P1417-M1419 PolarHBondContact O-N 3.46Å
1418T21Very low20.8Very low82 Ų82146.7 Ų146.750%0.50379%0.786SS.*  trans-4.1107.3156.352.10000115.5L1416 K1420L1416-T1418 HydrophobicContact CD2-CG2 3.56Å; T1418-K1420 PolarHBondContact O-N 3.27Å
1419M20Very low20.7Very low203 Ų203143.6 Ų143.6100%178%0.777SS**  trans-66.482.8146.6-94.1-174.1170.800107.5P1417P1417-M1419 PolarHBondContact O-N 3.46Å
1420K21.5Very low20.8Very low164 Ų164140 Ų14071%0.71378%0.775SS**  trans-72.1125.4162.1-91.4177.8175.81780108T1418T1418-K1420 PolarHBondContact O-N 3.27Å
1421Q20.9Very low20.8Very low164 Ų164139 Ų13977%0.76677%0.769SS**  trans39.990.4146.6-74.5171.3-45.700116.8S1423Q1421-S1423 VanDerWaalsContact C-N 3.32Å
1422L20.8Very low20.9Very low187 Ų187138.7 Ų138.798%0.97977%0.768SS**  trans-95.576.3138.5-90.9155.6000107.8N1424L1422-N1424 PolarHBondContact O-N 3.38Å
1423S20.5Very low20.9Very low86 Ų86135.8 Ų135.860%0.60177%0.766SS**  trans-75.497.3162.350.60000108.9Q1421Q1421-S1423 VanDerWaalsContact C-N 3.32Å
1424N20.5Very low21.2Very low147 Ų147136.6 Ų136.679%0.78677%0.77SS**  176.3121.6115.8-106.3-15.4000110.7L1422L1422-N1424 PolarHBondContact O-N 3.38Å
1425P23.2Very low21.3Very low116 Ų116135.1 Ų135.175%0.75377%0.768SS**  trans-82.211617032.9-27.3000109.3
1426S21Very low21.5Very low114 Ų114136.3 Ų136.380%0.79777%0.769SS**  trans-116.869155.948.50000108.2H1428S1426-H1428 VanDerWaalsContact C-N 3.31Å; S1426-H1428 PolarHBondContact O-N 3.25Å
1427C19.4Very low21.7Very low128 Ų128137.3 Ų137.387%0.86578%0.775SS**  trans-70.589.6167.1-80.90000109.1
1428H21.3Very low21.9Very low174 Ų174137.7 Ų137.781%0.80678%0.775SS**  trans-108.6112.3157.8-106.4-64.3000108.8S1426S1426-H1428 VanDerWaalsContact C-N 3.31Å; S1426-H1428 PolarHBondContact O-N 3.25Å
1429S20Very low22.1Very low91 Ų91138.5 Ų138.564%0.63678%0.781SS**  trans32.1114.7144.357.90000118.4
1430L21.2Very low22.4Very low160 Ų160135.3 Ų135.384%0.83877%0.767SS**  trans-175.4110132.4-95.9146.7000110.9
1431T19.9Very low22.6Very low107 Ų107132.4 Ų132.466%0.65677%0.765SS**  trans51.4121.1132.5570000121.6
1432N22.6Very low22.8Very low147 Ų147132.4 Ų132.479%0.78677%0.767SS**  trans98.8118131.2-66.3-11.4000120.6
1433S21.1Very low23.1Very low104 Ų104129.3 Ų129.373%0.72775%0.75SS**  trans67.5110.3153.557.70000118.9N1435S1433-N1435 PolarHBondContact O-N 3.19Å
1434P24.7Very low23.4Very low126 Ų126131.9 Ų131.982%0.81876%0.755SS**  trans-80.9108.7172.632.2-27.9000109.8L1436P1434-L1436 PolarHBondContact O-N 3.38Å
1435N24.5Very low23.7Very low155 Ų155133.4 Ų133.483%0.82976%0.757SS**  trans-70120.3164.5-95.9-25.4000109.7S1433 N1437S1433-N1435 PolarHBondContact O-N 3.19Å; N1435-N1437 PolarHBondContact O-N 3.45Å
1436L24.1Very low23.7Very low146 Ų146139 Ų13976%0.76478%0.776SS**  trans-41.6116.3161.2-89.871.3000110.7P1434P1434-L1436 PolarHBondContact O-N 3.38Å
1437N24.7Very low23.8Very low155 Ų155140.2 Ų140.283%0.82978%0.775SS**  trans-148.925.5167.9-114.5-2.9000115N1435N1435-N1437 PolarHBondContact O-N 3.45Å
1438T26.6Very low24Very low135 Ų135140.8 Ų140.883%0.82877%0.77SS**SBendtrans-131.721.4-177.446.40000115.6
1439T25.6Very low24.2Very low100 Ų100139 Ų13961%0.61377%0.768SS**SBendtrans-111.94.6177.244.50000115.3
1440L25.9Very low24.4Very low135 Ų135141.8 Ų141.871%0.70778%0.776SS**SBendtrans-90.1-23.8-177.5-152.767.4000117
1441P25.7Very low24.6Very low103 Ų103140.7 Ų140.767%0.66977%0.772SS**SBendtrans-82.3-14.1179.3-12.128.4000114.9
1442M26.1Very low25Very low164 Ų164142.9 Ų142.981%0.80878%0.78SS**SBendtrans-88.1-16.6-175.8-147.4-178-109.600113.4I1444M1442-I1444 VanDerWaalsContact C-N 3.35Å
1443I25.9Very low25.1Very low122 Ų122142.6 Ų142.663%0.62678%0.779SS**SBendtrans-77.3-22.4174-65.5175.7000111.5H1445I1443-H1445 VanDerWaalsContact C-N 3.32Å
1444I26.8Very low25.4Very low140 Ų140145.6 Ų145.672%0.71878%0.783SS**THydrogen-bonded Turntrans-82.2-13.1-179.1-62176.3000112.1M1442 M1446M1442-I1444 VanDerWaalsContact C-N 3.35Å; I1444-M1446 VanDerWaalsContact C-N 3.35Å
1445H27Very low25.5Very low180 Ų180147.3 Ų147.383%0.83378%0.781SS**THydrogen-bonded Turntrans-85.3-9.1176.9-133.6-50.9000113.7I1443I1443-H1445 VanDerWaalsContact C-N 3.32Å
1446M23.2Very low25.6Very low232 Ų232146.5 Ų146.5100%1.14378%0.776SS**  trans-104.80165-86.7-163.7156.100109.5I1444I1444-M1446 VanDerWaalsContact C-N 3.35Å

Retrieved 1,446 of 1,446 residues in 227.1 ms (Link to these results)

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