A0A077ZK69_TRITR Loading...

26S proteasome non ATPase regulatory subunit 7

AlphaFold DB , UniProt , Accession A0A077ZK69, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 336 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
1M39.9Very low37.1Very low227 Ų227140.6 Ų140.6100%1.11882%0.82SS**  01050-146.4169.3-167.500104.7
2F40.6Very low36.7Very low200 Ų200146.2 Ų146.288%0.87783%0.827SS**  trans62.9100.8-172.3-58.6-82.9000115
3S33.5Very low36.7Very low114 Ų114144.5 Ų144.580%0.79782%0.822SS**  cis66.7118.624.5-162.70000117.3
4A37.5Very low36.2Very low98 Ų98145.8 Ų145.881%0.8182%0.817SS**  trans68.4145.115500000115.8
5A38.5Very low36Very low87 Ų87146.3 Ų146.372%0.71982%0.817SS**  cis-155.1165.16.600000104.6
6E40.5Very low35.7Very low174 Ų174146.7 Ų146.781%0.81381%0.811SS**  -170.3124.273.8-83.6172.9158.900108.7
7D37.3Very low35.6Very low167 Ų167145.8 Ų145.889%0.89380%0.804SS**  trans-62.8131.6157.4-84.7-47.4000109.5
8I38Very low35.4Very low143 Ų143143.6 Ų143.673%0.73380%0.798SS**  trans-124.590.8157-62.4178.5000106.8V10I8-V10 HydrophobicContact CG2-CG2 3.77Å
9G30.5Very low35.3Very low74 Ų74143.6 Ų143.676%0.76380%0.797SS**  trans-78.2124156.100000108.6
10V38Very low35.4Very low126 Ų126143 Ų14376%0.76480%0.797SS**  trans-115.1103.7164.4178.50000107.6I8I8-V10 HydrophobicContact CG2-CG2 3.77Å
11D33.4Very low35.3Very low137 Ų137140.4 Ų140.473%0.73379%0.793SS**  trans25.4125.6144.3-91.7-32.5000121T13D11-T13 PolarHBondContact O-N 3.45Å
12K32.6Very low34.9Very low207 Ų207136.1 Ų136.190%0.978%0.775SS**  trans-59.8109.6147.3-65.8171174.51770108.6
13T37.1Very low34.5Very low124 Ų124134.8 Ų134.876%0.76177%0.772SS**  trans-119.6119.7155.246.40000109D11 N15D11-T13 PolarHBondContact O-N 3.45Å; T13-N15 PolarHBondContact O-N 3.15Å
14E29.2Very low34.7Very low163 Ų163134.3 Ų134.376%0.76277%0.766SS**  trans-42.3120.4168-67.5164.312600111.3
15N33.2Very low34.7Very low153 Ų153138.5 Ų138.582%0.81877%0.766SS**  trans-112.883.8148.1-111.7-0.4000106.4T13 N17T13-N15 PolarHBondContact O-N 3.15Å; N15-N17 VanDerWaalsContact C-N 3.3Å; N15-N17 PolarHBondContact O-N 2.97Å; N15-N17 VanDerWaalsContact O-N 3.1Å
16Q31.4Very low35.6Very low153 Ų153138.8 Ų138.872%0.71576%0.755SS**  trans-63.899.5154.3-65.8179.112.400105.9P18Q16-P18 WeakPolarHBondContact O-CD 3.47Å
17N34.4Very low36.7Very low131 Ų131137 Ų13770%0.70175%0.752SS**  trans-83.5109.2160.3-118.616.2000105.9N15 D19N15-N17 VanDerWaalsContact C-N 3.3Å; N15-N17 PolarHBondContact O-N 2.97Å; N15-N17 VanDerWaalsContact O-N 3.1Å; N17-D19 VanDerWaalsContact C-N 3.3Å; N17-D19 PolarHBondContact O-N 3.29Å
18P30.9Very low38.2Very low107 Ų107132 Ų13270%0.69572%0.722SS**  trans-91.317.4-177.332.6-21.9000113.2Q16Q16-P18 WeakPolarHBondContact O-CD 3.47Å
19D35Very low40.1Very low143 Ų143128 Ų12877%0.76571%0.706SS**  trans-12533.9-170.5-66.4-36.4000114.5N17 A21N17-D19 VanDerWaalsContact C-N 3.3Å; N17-D19 PolarHBondContact O-N 3.29Å; D19-A21 VanDerWaalsContact C-N 3.31Å; D19-A21 PolarHBondContact O-N 3Å
20V36.3Very low42.5Very low132 Ų132124.7 Ų124.780%0.867%0.67SS**  trans-91.583.4155.3-173.20000106.2D22V20-D22 PolarHBondContact O-N 3.3Å
21A33.3Very low44.8Very low88 Ų88122.2 Ų122.273%0.72766%0.658SS**  trans-49.1124.3172.900000109.2D19 E23D19-A21 VanDerWaalsContact C-N 3.31Å; D19-A21 PolarHBondContact O-N 3Å; A21-E23 PolarHBondContact O-N 3.33Å; A21-E23 VanDerWaalsContact O-N 3.14Å
22D31.1Very low47.5Very low138 Ų138120.2 Ų120.274%0.73864%0.641SS**  trans-37.3116.4172.3-80-58.8000110.3V20V20-D22 PolarHBondContact O-N 3.3Å
23E32Very low50.3Low171 Ų171110.3 Ų110.380%0.79960%0.598SS**  trans-51.6135.6156.5-74.2-173168.800106.6A21 K25A21-E23 PolarHBondContact O-N 3.33Å; A21-E23 VanDerWaalsContact O-N 3.14Å; E23-K25 PolarHBondContact O-N 3.38Å
24P37.5Very low53Low105 Ų105105.2 Ų105.268%0.68257%0.566SS**  trans-53.2118.8179.823.3-31.3000106.8D26P24-D26 PolarHBondContact O-N 3.01Å
25K39Very low56.1Low186 Ų18697.6 Ų97.681%0.80953%0.53SS*.  trans-65.781.9169.9-78.2179.4-176.5164.20106.4E23 D27E23-K25 PolarHBondContact O-N 3.38Å; K25-D27 PolarHBondContact O-N 2.95Å
26D56.1Low59Low92 Ų9290.9 Ų90.949%0.49249%0.494SS..  trans-62.3102175.2-117.822.4000105.3P24 F28 R183P24-D26 PolarHBondContact O-N 3.01Å; D26-F28 HydrophobicContact CB-CD2 3.62Å; D26-F28 HydrophobicContact CB-CE2 4.04Å; D26-F28 VanDerWaalsContact CG-CD2 3.41Å; D26-F28 PolarHBondContact O-N 3.47Å; D26-F28 WeakPolarHBondContact OD1-CE2 3.43Å; D26-F28 VanDerWaalsContact OD2-CD2 3.26Å; D26-F28 WeakPolarHBondContact OD2-CD2 3.29Å; D26-F28 WeakPolarHBondContact OD2-CE2 3.46Å; D26-R183 IonicContact OD2-NH1 2.73Å; D26-R183 PolarHBondContact OD2-NH1 2.95Å
27D63.5Low61.9Low138 Ų13884.6 Ų84.674%0.73847%0.466SS*.  trans-74.524.3-170-141.93.1000112.7K25 R71K25-D27 PolarHBondContact O-N 2.95Å; D27-R71 IonicContact OD1-NH1 3.65Å; D27-R71 IonicContact OD1-NH2 2.66Å
28F69.2Low64.7Low60 Ų6081.9 Ų81.926%0.26345%0.451SS..  trans-72.4144.4-178.3-64-67.3000111D26 V30 R71 M166 R183D26-F28 HydrophobicContact CB-CD2 3.62Å; D26-F28 HydrophobicContact CB-CE2 4.04Å; D26-F28 VanDerWaalsContact CG-CD2 3.41Å; D26-F28 PolarHBondContact O-N 3.47Å; D26-F28 WeakPolarHBondContact OD1-CE2 3.43Å; D26-F28 VanDerWaalsContact OD2-CD2 3.26Å; D26-F28 WeakPolarHBondContact OD2-CD2 3.29Å; D26-F28 WeakPolarHBondContact OD2-CE2 3.46Å; F28-V30 PolarHBondContact O-N 2.74Å; F28-R71 WeakPolarHBondContact O-CD 3.31Å; F28-R71 PolarHBondContact O-NH1 3.4Å; F28-M166 HydrophobicContact CD1-SD 3.84Å; F28-M166 HydrophobicContact CE1-CE 4.38Å; F28-M166 HydrophobicContact CE1-CG 4.22Å; F28-M166 HydrophobicContact CE1-SD 3.1Å; F28-M166 WeakPolarHBondContact CE1-SD 3.03Å; F28-M166 HydrophobicContact CZ-CE 4.42Å; F28-M166 HydrophobicContact CZ-SD 3.57Å; F28-M166 VanDerWaalsContact CZ-SD 3.57Å; F28-R183 VanDerWaalsContact CG-CZ 3.4Å
29P77.6Confident67.6Low61 Ų6176.9 Ų76.940%0.39642%0.419SS..SBendtrans-66.5-22.6-177.626.8-34.8000112.3R71 T143 I164P29-R71 WeakPolarHBondContact O-CB 3.35Å; P29-T143 HydrophobicContact CB-CG2 4.08Å; P29-T143 HydrophobicContact CG-CG2 4.03Å; P29-I164 HydrophobicContact CG-CD1 3.72Å
30V82.3Confident70.3Confident4 Ų471.9 Ų71.92%0.02439%0.391CS..  trans-127.3120.9178.4-1790000109.4F28 V33 R71 V73 V145 I164F28-V30 PolarHBondContact O-N 2.74Å; V30-V33 HydrophobicContact CG1-CG2 4.09Å; V30-R71 WeakPolarHBondContact CA-O 3.31Å; V30-V73 HydrophobicContact CB-CG2 4.44Å; V30-V73 HydrophobicContact CG1-CB 4.4Å; V30-V73 HydrophobicContact CG1-CG2 3.72Å; V30-V73 HydrophobicContact CG2-CG2 3.83Å; V30-V145 HydrophobicContact CG1-CG2 4.48Å; V30-V145 HydrophobicContact CG2-CG2 4.12Å; V30-I164 HydrophobicContact CB-CD1 3.97Å; V30-I164 HydrophobicContact CG2-CD1 3.84Å
31S85.3Confident72.8Confident73 Ų7371 Ų7151%0.5138%0.381SS..SBendtrans-84.7-42.5177.5172.60000111.5R71S31-R71 PolarHBondContact N-O 2.94Å
32R90.2Very high75.7Confident95 Ų9568.7 Ų68.736%0.35836%0.36SS..EExtended strand (participates in β ladder)trans-150149.7-173.7-168.3-175.4-172.4160.515.9111.5V72 V73 P184R32-V72 HydrophobicContact CB-CG1 4.45Å; R32-V72 HydrophobicContact CB-CG2 4.26Å; R32-V72 WeakPolarHBondContact O-CA 3.33Å; R32-V73 PolarHBondContact O-N 3.43Å; R32-P184 HydrophobicContact CG-CB 4.47Å; R32-P184 WeakPolarHBondContact CG-O 3.17Å
33V92.8Very high78.6Confident0 Ų062.2 Ų62.20%033%0.326CS..EExtended strand (participates in β ladder)trans-114.9125.6174.5-1740000109.8V30 V35 V75 V145 I147 A162 P184 S185 K186V30-V33 HydrophobicContact CG1-CG2 4.09Å; V33-V35 HydrophobicContact CG1-CG2 3.98Å; V33-V75 HydrophobicContact CG1-CG2 4.12Å; V33-V145 HydrophobicContact CG1-CG1 4.42Å; V33-V145 HydrophobicContact CG2-CG1 3.83Å; V33-I147 HydrophobicContact CG1-CD1 3.84Å; V33-A162 HydrophobicContact CB-CB 4.01Å; V33-A162 HydrophobicContact CG1-CB 4.37Å; V33-A162 HydrophobicContact CG2-CB 3.85Å; V33-P184 PolarHBondContact N-O 3.47Å; V33-S185 CarbonylContact O-C 3.57Å; V33-S185 WeakPolarHBondContact O-CA 3.4Å; V33-K186 PolarHBondContact O-N 3.29Å
34I93.9Very high81.4Confident17 Ų1756.5 Ų56.59%0.08730%0.302CS..EExtended strand (participates in β ladder)trans-107.3128.1173.7-62.1170.9000107.5V72 V73 V75 K186 E188I34-V72 HydrophobicContact CD1-CG1 3.49Å; I34-V72 VanDerWaalsContact CD1-CG1 3.49Å; I34-V72 HydrophobicContact CG1-CG1 3.84Å; I34-V73 PolarHBondContact N-O 3.5Å; I34-V75 PolarHBondContact O-N 3.43Å; I34-K186 CarbonylContact C-O 3.58Å; I34-K186 WeakPolarHBondContact CA-O 3.26Å; I34-E188 HydrophobicContact CG2-CB 3.62Å; I34-E188 HydrophobicContact CG2-CG 3.82Å
35V94Very high84Confident2 Ų255 Ų551%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-121.4126.3-178.1-174.60000109.9V33 V39 V75 I147 L160 K186 V187 E188V33-V35 HydrophobicContact CG1-CG2 3.98Å; V35-V39 HydrophobicContact CG1-CB 3.93Å; V35-V39 HydrophobicContact CG1-CG1 4.07Å; V35-V39 HydrophobicContact CG1-CG2 4.43Å; V35-V75 HydrophobicContact CG2-CB 4.48Å; V35-V75 HydrophobicContact CG2-CG2 4.39Å; V35-I147 HydrophobicContact CG2-CD1 3.67Å; V35-L160 HydrophobicContact CB-CD2 3.97Å; V35-L160 HydrophobicContact CG2-CD1 3.87Å; V35-L160 HydrophobicContact CG2-CD2 3.83Å; V35-K186 PolarHBondContact N-O 2.92Å; V35-V187 VanDerWaalsContact O-CA 3.29Å; V35-V187 WeakPolarHBondContact O-CA 3.21Å; V35-E188 PolarHBondContact O-N 3.38Å
36H93.5Very high86.5Confident13 Ų1347.6 Ų47.66%0.0626%0.257CS..  trans-72.1141.3173.8-77.7-140.6000111.7L38 V39 N74 V75 E188 E193H36-L38 PolarHBondContact O-N 3.44Å; H36-L38 VanDerWaalsContact O-N 3.15Å; H36-V39 HydrophobicContact CB-CG2 4.39Å; H36-V39 WeakPolarHBondContact O-CB 3.31Å; H36-V39 PolarHBondContact O-N 2.99Å; H36-N74 PolarHBondContact CD2-OD1 3.5Å; H36-N74 VanDerWaalsContact CD2-OD1 3.25Å; H36-N74 PolarHBondContact NE2-ND2 2.88Å; H36-N74 PolarHBondContact NE2-OD1 3.07Å; H36-V75 WeakPolarHBondContact CB-O 3.35Å; H36-V75 PolarHBondContact CD2-O 3.44Å; H36-V75 VanDerWaalsContact CD2-O 3.32Å; H36-V75 PolarHBondContact N-O 3.29Å; H36-E188 WeakPolarHBondContact CA-O 3.35Å; H36-E193 IonicContact CE1-OE1 2.96Å; H36-E193 IonicContact CG-OE1 3.85Å; H36-E193 IonicContact ND1-OE1 2.67Å; H36-E193 PolarHBondContact ND1-OE1 2.97Å; H36-E193 IonicContact ND1-OE2 2.7Å
37P92Very high88.1Confident20 Ų2044.8 Ų44.813%0.1324%0.24CC..Hα-helixtrans-53.2-32174.5-26.530.8000114.7V39 M40 L41 V187 E188 S189 E193 V197P37-V39 PolarHBondContact O-N 2.95Å; P37-M40 HydrophobicContact CB-CE 4.27Å; P37-M40 PolarHBondContact O-N 3.37Å; P37-M40 VanDerWaalsContact O-N 3.16Å; P37-L41 PolarHBondContact O-N 2.91Å; P37-L41 VanDerWaalsContact O-N 3.1Å; P37-V187 HydrophobicContact CG-CG1 3.9Å; P37-E188 VanDerWaalsContact CD-O 3.29Å; P37-E188 WeakPolarHBondContact CD-O 3.5Å; P37-S189 VanDerWaalsContact CG-OG 3.26Å; P37-S189 WeakPolarHBondContact CG-OG 3.3Å; P37-E193 VanDerWaalsContact CD-OE2 3.3Å; P37-E193 WeakPolarHBondContact CD-OE2 3.45Å; P37-V197 HydrophobicContact CB-CG2 4.09Å; P37-V197 HydrophobicContact CG-CG2 4.37Å
38L92.7Very high89.4Confident74 Ų7441.8 Ų41.839%0.38722%0.224SC..Hα-helixtrans-55.3-39.7176-174.268.3000112.5H36 L41 S42 E193H36-L38 PolarHBondContact O-N 3.44Å; H36-L38 VanDerWaalsContact O-N 3.15Å; L38-L41 PolarHBondContact O-N 3.44Å; L38-S42 WeakPolarHBondContact O-CB 3.27Å; L38-S42 PolarHBondContact O-N 2.97Å; L38-S42 PolarHBondContact O-OG 3.46Å; L38-S42 VanDerWaalsContact O-OG 3.08Å; L38-E193 PolarHBondContact N-OE2 2.94Å
39V92.8Very high90.4Very high3 Ų346.9 Ų46.92%0.01824%0.241CC..Hα-helixtrans-62.6-47178.8177.10000109.9V35 H36 P37 L41 S42 V43 L63 V75 C78V35-V39 HydrophobicContact CG1-CB 3.93Å; V35-V39 HydrophobicContact CG1-CG1 4.07Å; V35-V39 HydrophobicContact CG1-CG2 4.43Å; H36-V39 HydrophobicContact CB-CG2 4.39Å; H36-V39 WeakPolarHBondContact O-CB 3.31Å; H36-V39 PolarHBondContact O-N 2.99Å; P37-V39 PolarHBondContact O-N 2.95Å; V39-L41 VanDerWaalsContact C-N 3.32Å; V39-L41 PolarHBondContact O-N 2.88Å; V39-S42 PolarHBondContact O-N 3.29Å; V39-V43 HydrophobicContact CG1-CG2 4.43Å; V39-V43 VanDerWaalsContact O-CG2 3.29Å; V39-V43 WeakPolarHBondContact O-CG2 3.48Å; V39-V43 PolarHBondContact O-N 3.49Å; V39-L63 HydrophobicContact CG1-CD2 3.93Å; V39-V75 HydrophobicContact CG1-CG1 4.24Å; V39-V75 HydrophobicContact CG2-CG1 3.85Å; V39-C78 HydrophobicContact CG1-CB 4Å
40M90.5Very high90.9Very high37 Ų3745.6 Ų45.618%0.18223%0.232CC..Hα-helixtrans-61-42.5179.2-64.3-170.9-7100111.8P37 V43 V44 P159 V187P37-M40 HydrophobicContact CB-CE 4.27Å; P37-M40 PolarHBondContact O-N 3.37Å; P37-M40 VanDerWaalsContact O-N 3.16Å; M40-V43 PolarHBondContact O-N 3.3Å; M40-V44 WeakPolarHBondContact O-CG2 3.31Å; M40-V44 PolarHBondContact O-N 3.46Å; M40-V44 VanDerWaalsContact O-N 3.11Å; M40-P159 HydrophobicContact SD-CG 4.19Å; M40-V187 HydrophobicContact CE-CB 4.31Å; M40-V187 HydrophobicContact CE-CG1 3.5Å; M40-V187 VanDerWaalsContact CE-CG1 3.5Å; M40-V187 HydrophobicContact CE-CG2 3.8Å; M40-V187 HydrophobicContact SD-CG2 4.01Å
41L90.5Very high91.1Very high113 Ų11350.9 Ų50.959%0.59225%0.253SS*.Hα-helixtrans-63-43.5177.1-175.564.6000111.4P37 L38 V39 V44 D45P37-L41 PolarHBondContact O-N 2.91Å; P37-L41 VanDerWaalsContact O-N 3.1Å; L38-L41 PolarHBondContact O-N 3.44Å; V39-L41 VanDerWaalsContact C-N 3.32Å; V39-L41 PolarHBondContact O-N 2.88Å; L41-V44 PolarHBondContact O-N 2.94Å; L41-D45 PolarHBondContact O-N 3.04Å
42S93Very high91.2Very high40 Ų4055.9 Ų55.928%0.2827%0.265SS..Hα-helixtrans-63.9-39.7178-68.60000112.6L38 V39 D45 H46 C78L38-S42 WeakPolarHBondContact O-CB 3.27Å; L38-S42 PolarHBondContact O-N 2.97Å; L38-S42 PolarHBondContact O-OG 3.46Å; L38-S42 VanDerWaalsContact O-OG 3.08Å; V39-S42 PolarHBondContact O-N 3.29Å; S42-D45 PolarHBondContact O-N 2.99Å; S42-H46 VanDerWaalsContact O-CB 3.28Å; S42-H46 WeakPolarHBondContact O-CB 3.47Å; S42-H46 PolarHBondContact O-N 3.21Å; S42-C78 WeakPolarHBondContact CB-SG 3.27Å
43V92.4Very high91Very high3 Ų355.3 Ų55.32%0.01828%0.281CS..Hα-helixtrans-64.6-41.4175.4176.80000111.2V39 M40 H46 F47 Y120 V149V39-V43 HydrophobicContact CG1-CG2 4.43Å; V39-V43 VanDerWaalsContact O-CG2 3.29Å; V39-V43 WeakPolarHBondContact O-CG2 3.48Å; V39-V43 PolarHBondContact O-N 3.49Å; M40-V43 PolarHBondContact O-N 3.3Å; V43-H46 PolarHBondContact O-N 2.91Å; V43-F47 WeakPolarHBondContact O-CB 3.42Å; V43-F47 PolarHBondContact O-N 3.02Å; V43-Y120 HydrophobicContact CB-CD2 4.32Å; V43-Y120 HydrophobicContact CB-CE2 4.11Å; V43-Y120 HydrophobicContact CG1-CD2 3.78Å; V43-Y120 HydrophobicContact CG1-CE2 3.73Å; V43-Y120 HydrophobicContact CG2-CD1 4.25Å; V43-Y120 HydrophobicContact CG2-CD2 3.55Å; V43-Y120 HydrophobicContact CG2-CE1 4.17Å; V43-Y120 HydrophobicContact CG2-CE2 3.51Å; V43-Y120 HydrophobicContact CG2-CG 3.93Å; V43-V149 HydrophobicContact CB-CG1 4.45Å; V43-V149 HydrophobicContact CG1-CB 3.94Å; V43-V149 HydrophobicContact CG1-CG1 4.12Å; V43-V149 HydrophobicContact CG1-CG2 4.32Å; V43-V149 HydrophobicContact CG2-CG2 4.34Å
44V90.1Very high90.3Very high51 Ų5159.9 Ų59.931%0.30931%0.309SS..Hα-helixtrans-67.5-40.8177.2173.30000111.5M40 L41 F47 N48M40-V44 WeakPolarHBondContact O-CG2 3.31Å; M40-V44 PolarHBondContact O-N 3.46Å; M40-V44 VanDerWaalsContact O-N 3.11Å; L41-V44 PolarHBondContact O-N 2.94Å; V44-F47 PolarHBondContact O-N 3.42Å; V44-N48 WeakPolarHBondContact O-CB 3.37Å; V44-N48 PolarHBondContact O-N 3.25Å; V44-N48 PolarHBondContact O-ND2 3.05Å; V44-N48 VanDerWaalsContact O-ND2 3.12Å
45D92.1Very high89.7Confident72 Ų7266.1 Ų66.139%0.38534%0.338SS..Hα-helixtrans-62.1-45.4173.3-174.657.8000111.2L41 S42 F47 N48 R49L41-D45 PolarHBondContact O-N 3.04Å; S42-D45 PolarHBondContact O-N 2.99Å; D45-F47 PolarHBondContact O-N 3.47Å; D45-N48 PolarHBondContact O-N 2.85Å; D45-R49 WeakPolarHBondContact O-CG 3.4Å; D45-R49 PolarHBondContact O-N 3.3Å; D45-R49 IonicContact OD1-NE 3.49Å; D45-R49 IonicContact OD1-NH2 3.65Å; D45-R49 IonicContact OD2-CZ 2.88Å; D45-R49 VanDerWaalsContact OD2-CZ 3.24Å; D45-R49 IonicContact OD2-NE 3.92Å; D45-R49 PolarHBondContact OD2-NE 2.86Å; D45-R49 IonicContact OD2-NH2 2.74Å; D45-R49 PolarHBondContact OD2-NH2 3.47Å
46H92.2Very high88.6Confident31 Ų3167.4 Ų67.414%0.14435%0.348CS..Hα-helixtrans-59.7-47.7177.3-175.2-159.9000111.6S42 V43 N48 R49 V50 V59 G80 Y120S42-H46 VanDerWaalsContact O-CB 3.28Å; S42-H46 WeakPolarHBondContact O-CB 3.47Å; S42-H46 PolarHBondContact O-N 3.21Å; V43-H46 PolarHBondContact O-N 2.91Å; H46-N48 VanDerWaalsContact C-N 3.33Å; H46-N48 PolarHBondContact O-N 3.35Å; H46-R49 PolarHBondContact O-N 3.28Å; H46-V50 WeakPolarHBondContact O-CG2 3.49Å; H46-V50 PolarHBondContact O-N 3.28Å; H46-V59 WeakPolarHBondContact CE1-CG1 3.45Å; H46-V59 WeakPolarHBondContact ND1-CG1 3.4Å; H46-V59 VanDerWaalsContact NE2-CG1 3.34Å; H46-V59 WeakPolarHBondContact NE2-CG1 3.2Å; H46-G80 WeakPolarHBondContact CE1-CA 3.39Å; H46-G80 VanDerWaalsContact ND1-CA 3.28Å; H46-G80 WeakPolarHBondContact ND1-CA 3.43Å; H46-Y120 AromaticContact ND1-CZ 3.98Å; H46-Y120 PolarHBondContact ND1-OH 3.33Å
47F90.6Very high87.9Confident34 Ų3470.6 Ų70.615%0.14937%0.369CS..Hα-helixtrans-55.8-47.5174.6179.9-98.3000111.7V43 V44 D45 R49 V50 Y51 V59 A151V43-F47 WeakPolarHBondContact O-CB 3.42Å; V43-F47 PolarHBondContact O-N 3.02Å; V44-F47 PolarHBondContact O-N 3.42Å; D45-F47 PolarHBondContact O-N 3.47Å; F47-R49 VanDerWaalsContact C-N 3.34Å; F47-R49 PolarHBondContact O-N 2.93Å; F47-V50 PolarHBondContact O-N 3.48Å; F47-Y51 HydrophobicContact CZ-CD2 4.17Å; F47-Y51 WeakPolarHBondContact O-CB 3.42Å; F47-Y51 PolarHBondContact O-N 2.92Å; F47-V59 HydrophobicContact CD2-CG2 4.1Å; F47-A151 HydrophobicContact CD1-CB 3.8Å; F47-A151 HydrophobicContact CD2-CB 4.2Å; F47-A151 HydrophobicContact CE1-CB 4.02Å; F47-A151 HydrophobicContact CE2-CB 4.4Å; F47-A151 HydrophobicContact CG-CB 3.89Å; F47-A151 HydrophobicContact CZ-CB 4.32Å
48N90.2Very high87.6Confident74 Ų7470 Ų7040%0.39636%0.364SS..Hα-helixtrans-65.2-33.8179.9-76.4-37000113.5V44 D45 H46 K52V44-N48 WeakPolarHBondContact O-CB 3.37Å; V44-N48 PolarHBondContact O-N 3.25Å; V44-N48 PolarHBondContact O-ND2 3.05Å; V44-N48 VanDerWaalsContact O-ND2 3.12Å; D45-N48 PolarHBondContact O-N 2.85Å; H46-N48 VanDerWaalsContact C-N 3.33Å; H46-N48 PolarHBondContact O-N 3.35Å; N48-K52 WeakPolarHBondContact O-CD 3.48Å; N48-K52 VanDerWaalsContact O-CG 3.24Å; N48-K52 WeakPolarHBondContact O-CG 3.36Å; N48-K52 PolarHBondContact O-N 3.21Å
49R90.3Very high87.5Confident167 Ų16766.7 Ų66.763%0.6335%0.347SS*.Hα-helixtrans-68.3-48.6176.3-72.1177.7-169.7-122.74.3111.5D45 H46 F47 K52 A53D45-R49 WeakPolarHBondContact O-CG 3.4Å; D45-R49 PolarHBondContact O-N 3.3Å; D45-R49 IonicContact OD1-NE 3.49Å; D45-R49 IonicContact OD1-NH2 3.65Å; D45-R49 IonicContact OD2-CZ 2.88Å; D45-R49 VanDerWaalsContact OD2-CZ 3.24Å; D45-R49 IonicContact OD2-NE 3.92Å; D45-R49 PolarHBondContact OD2-NE 2.86Å; D45-R49 IonicContact OD2-NH2 2.74Å; D45-R49 PolarHBondContact OD2-NH2 3.47Å; H46-R49 PolarHBondContact O-N 3.28Å; F47-R49 VanDerWaalsContact C-N 3.34Å; F47-R49 PolarHBondContact O-N 2.93Å; R49-K52 PolarHBondContact O-N 3.19Å; R49-A53 PolarHBondContact O-N 3.47Å
50V88.1Confident87.6Confident34 Ų3466.5 Ų66.521%0.20635%0.346CS..Hα-helixtrans-69.7-42.1-178.4178.10000110.8H46 F47 K52 A53 T54 A56 V59H46-V50 WeakPolarHBondContact O-CG2 3.49Å; H46-V50 PolarHBondContact O-N 3.28Å; F47-V50 PolarHBondContact O-N 3.48Å; V50-K52 VanDerWaalsContact C-N 3.26Å; V50-K52 PolarHBondContact O-N 3.25Å; V50-A53 PolarHBondContact O-N 3.45Å; V50-T54 PolarHBondContact O-N 2.95Å; V50-A56 HydrophobicContact CG1-CB 4.07Å; V50-V59 HydrophobicContact CB-CG2 3.78Å; V50-V59 HydrophobicContact CG1-CG2 3.9Å; V50-V59 HydrophobicContact CG2-CG1 4.33Å; V50-V59 HydrophobicContact CG2-CG2 4.11Å
51Y85.6Confident87.7Confident115 Ų11564.8 Ų64.845%0.45134%0.337SS..Hα-helixtrans-59.8-36.6179.1-173.6-99.6000112.3F47 A53 Q55F47-Y51 HydrophobicContact CZ-CD2 4.17Å; F47-Y51 WeakPolarHBondContact O-CB 3.42Å; F47-Y51 PolarHBondContact O-N 2.92Å; Y51-A53 VanDerWaalsContact C-N 3.34Å; Y51-Q55 VanDerWaalsContact O-CA 3.3Å; Y51-Q55 WeakPolarHBondContact O-CA 3.22Å; Y51-Q55 PolarHBondContact O-N 2.98Å; Y51-Q55 VanDerWaalsContact O-N 3.09Å
52K87.4Confident88Confident178 Ų17859.4 Ų59.477%0.77431%0.31SS*.Hα-helixtrans-68.8-30.3174.7-74.9173.9-176.5177.20113.4N48 R49 V50N48-K52 WeakPolarHBondContact O-CD 3.48Å; N48-K52 VanDerWaalsContact O-CG 3.24Å; N48-K52 WeakPolarHBondContact O-CG 3.36Å; N48-K52 PolarHBondContact O-N 3.21Å; R49-K52 PolarHBondContact O-N 3.19Å; V50-K52 VanDerWaalsContact C-N 3.26Å; V50-K52 PolarHBondContact O-N 3.25Å
53A85.6Confident88.1Confident83 Ų8357.6 Ų57.669%0.68630%0.297SS*.Hα-helixtrans-87.1-48.2-17600000112.5R49 V50 Y51R49-A53 PolarHBondContact O-N 3.47Å; V50-A53 PolarHBondContact O-N 3.45Å; Y51-A53 VanDerWaalsContact C-N 3.34Å
54T80Confident88.2Confident96 Ų9657.4 Ų57.459%0.58930%0.296SS*.Hα-helixtrans-120.6-10.1-167-450000112.6V50 A56V50-T54 PolarHBondContact O-N 2.95Å; T54-A56 HydrophobicContact CG2-CB 4.39Å; T54-A56 PolarHBondContact O-N 3.34Å; T54-A56 VanDerWaalsContact O-N 3.09Å
55Q79.3Confident88.4Confident148 Ų14855 Ų5569%0.69228%0.281SS*.  trans55.317.6-168.8-58.9-171.4-35.400114.2Y51 T57Y51-Q55 VanDerWaalsContact O-CA 3.3Å; Y51-Q55 WeakPolarHBondContact O-CA 3.22Å; Y51-Q55 PolarHBondContact O-N 2.98Å; Y51-Q55 VanDerWaalsContact O-N 3.09Å; Q55-T57 PolarHBondContact O-N 3.39Å
56A72.7Confident88.4Confident29 Ų2953.7 Ų53.724%0.2428%0.276CS..  trans-59.7135.1177.900000110.1V50 T54 R58V50-A56 HydrophobicContact CG1-CB 4.07Å; T54-A56 HydrophobicContact CG2-CB 4.39Å; T54-A56 PolarHBondContact O-N 3.34Å; T54-A56 VanDerWaalsContact O-N 3.09Å; A56-R58 VanDerWaalsContact C-N 3.3Å
57T77.1Confident88.3Confident80 Ų8056.6 Ų56.649%0.49130%0.295SS..SBendtrans-77.2-23.2-177.459.10000112.1Q55Q55-T57 PolarHBondContact O-N 3.39Å
58R87.1Confident88.1Confident7 Ų758.4 Ų58.43%0.02631%0.305CS..  trans-130.6139.3-173.1-173.6-178.4178.3-170.44111.4A56 F83 E85 H121 S122 D130A56-R58 VanDerWaalsContact C-N 3.3Å; R58-F83 HydrophobicContact CG-CE1 4.42Å; R58-E85 WeakPolarHBondContact CD-OE2 3.49Å; R58-E85 IonicContact NH1-OE2 2.91Å; R58-E85 PolarHBondContact NH1-OE2 3.43Å; R58-H121 HydrophobicContact CG-CB 4.42Å; R58-H121 PolarHBondContact NH2-CD2 2.89Å; R58-H121 VanDerWaalsContact NH2-CG 3.27Å; R58-S122 WeakPolarHBondContact CA-OG 3.37Å; R58-D130 IonicContact CZ-OD1 2.59Å; R58-D130 IonicContact NH1-OD1 3.24Å; R58-D130 PolarHBondContact NH1-OD1 3.42Å; R58-D130 IonicContact NH2-OD1 2.77Å; R58-D130 PolarHBondContact NH2-OD1 3.03Å; R58-D130 IonicContact NH2-OD2 3.04Å
59V90.8Very high87.8Confident5 Ų561.6 Ų61.63%0.0333%0.33CS..  trans-130.2135.3178.7178.70000108.3H46 F47 V50 H121 S122H46-V59 WeakPolarHBondContact CE1-CG1 3.45Å; H46-V59 WeakPolarHBondContact ND1-CG1 3.4Å; H46-V59 VanDerWaalsContact NE2-CG1 3.34Å; H46-V59 WeakPolarHBondContact NE2-CG1 3.2Å; F47-V59 HydrophobicContact CD2-CG2 4.1Å; V50-V59 HydrophobicContact CB-CG2 3.78Å; V50-V59 HydrophobicContact CG1-CG2 3.9Å; V50-V59 HydrophobicContact CG2-CG1 4.33Å; V50-V59 HydrophobicContact CG2-CG2 4.11Å; V59-H121 CarbonylContact O-C 3.49Å; V59-H121 WeakPolarHBondContact O-CA 3.5Å; V59-H121 WeakPolarHBondContact O-CB 3.5Å; V59-S122 PolarHBondContact N-OG 2.81Å; V59-S122 PolarHBondContact O-N 3.41Å
60V93.2Very high87.5Confident0 Ų058.4 Ų58.40%033%0.325CS..EExtended strand (participates in β ladder)trans-115.6145.4180175.90000109.4L81 F83 W119 Y120 H121V60-L81 PolarHBondContact O-N 2.9Å; V60-F83 HydrophobicContact CB-CB 3.91Å; V60-F83 HydrophobicContact CB-CD1 4.07Å; V60-F83 HydrophobicContact CB-CD2 4.11Å; V60-F83 HydrophobicContact CB-CG 3.75Å; V60-F83 HydrophobicContact CG2-CB 4.33Å; V60-F83 HydrophobicContact CG2-CD1 3.52Å; V60-F83 HydrophobicContact CG2-CD2 3.92Å; V60-F83 HydrophobicContact CG2-CE1 3.66Å; V60-F83 HydrophobicContact CG2-CE2 4.03Å; V60-F83 HydrophobicContact CG2-CG 3.64Å; V60-F83 HydrophobicContact CG2-CZ 3.9Å; V60-W119 HydrophobicContact CG1-CE3 3.96Å; V60-W119 HydrophobicContact CG1-CZ3 4.37Å; V60-Y120 WeakPolarHBondContact CA-O 3.37Å; V60-H121 HydrophobicContact CG2-CB 3.99Å
61G94.1Very high87.4Confident0 Ų062 Ų620%034%0.335CS..EExtended strand (participates in β ladder)trans-157.5176.6172.100000113.1F79 W119 Y120G61-F79 CarbonylContact C-O 3.51Å; G61-F79 VanDerWaalsContact CA-O 3.25Å; G61-F79 WeakPolarHBondContact CA-O 3.41Å; G61-W119 CarbonylContact O-C 3.56Å; G61-W119 VanDerWaalsContact O-CA 3.26Å; G61-W119 WeakPolarHBondContact O-CA 3.3Å; G61-W119 VanDerWaalsContact O-CB 3.27Å; G61-W119 WeakPolarHBondContact O-CB 3.38Å; G61-Y120 VanDerWaalsContact C-CD1 3.47Å; G61-Y120 PolarHBondContact N-O 2.97Å; G61-Y120 WeakPolarHBondContact O-CD1 3.36Å; G61-Y120 PolarHBondContact O-N 3.01Å
62V95.2Very high87.6Confident1 Ų157.2 Ų57.21%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-100.1141.6-174.6-179.60000110.1L64 C78 F79 L81 L100 I116V62-L64 HydrophobicContact CG1-CD2 4.44Å; V62-C78 VanDerWaalsContact O-CA 3.24Å; V62-C78 WeakPolarHBondContact O-CA 3.39Å; V62-C78 VanDerWaalsContact O-CB 3.32Å; V62-C78 WeakPolarHBondContact O-CB 3.35Å; V62-F79 HydrophobicContact CB-CD1 4.26Å; V62-F79 HydrophobicContact CB-CE1 3.73Å; V62-F79 HydrophobicContact CB-CE2 4.09Å; V62-F79 HydrophobicContact CB-CZ 3.63Å; V62-F79 HydrophobicContact CG1-CE1 3.89Å; V62-F79 HydrophobicContact CG1-CZ 3.99Å; V62-F79 HydrophobicContact CG2-CE1 4.44Å; V62-F79 HydrophobicContact CG2-CE2 4.05Å; V62-F79 HydrophobicContact CG2-CZ 3.84Å; V62-F79 PolarHBondContact N-O 3.3Å; V62-F79 PolarHBondContact O-N 3.38Å; V62-F79 VanDerWaalsContact O-N 3.09Å; V62-L81 HydrophobicContact CG2-CD1 3.6Å; V62-L81 HydrophobicContact CG2-CD2 3.91Å; V62-L81 HydrophobicContact CG2-CG 3.78Å; V62-L100 HydrophobicContact CG2-CD1 3.51Å; V62-L100 HydrophobicContact CG2-CG 4.25Å; V62-I116 HydrophobicContact CG1-CB 4.43Å; V62-I116 HydrophobicContact CG1-CG1 4.45Å; V62-I116 HydrophobicContact CG1-CG2 3.25Å
63L95.4Very high87.9Confident1 Ų148.9 Ų48.91%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-100.5129.7174.3-62.8174.3000110.4V39 V75 C78 V117 G118 W119 Y120 I147V39-L63 HydrophobicContact CG1-CD2 3.93Å; L63-V75 HydrophobicContact CB-CG1 4.09Å; L63-V75 HydrophobicContact CD2-CG1 3.84Å; L63-V75 HydrophobicContact CG-CG1 4.38Å; L63-C78 HydrophobicContact CD2-CB 3.87Å; L63-V117 HydrophobicContact CB-CG2 3.87Å; L63-V117 WeakPolarHBondContact O-CG2 3.48Å; L63-V117 PolarHBondContact O-N 2.83Å; L63-G118 PolarHBondContact N-O 3.47Å; L63-W119 WeakPolarHBondContact CD1-O 3.27Å; L63-Y120 HydrophobicContact CD2-CD1 3.52Å; L63-Y120 HydrophobicContact CD2-CE1 4.43Å; L63-Y120 HydrophobicContact CD2-CG 4.15Å; L63-Y120 HydrophobicContact CG-CD1 4Å; L63-I147 HydrophobicContact CD1-CB 3.89Å; L63-I147 HydrophobicContact CD1-CD1 3.46Å; L63-I147 VanDerWaalsContact CD1-CD1 3.46Å; L63-I147 HydrophobicContact CD1-CG1 3.54Å
64L94.6Very high88.3Confident0 Ų046 Ų460%026%0.255CS..EExtended strand (participates in β ladder)trans-110.9140.9176.2-62.1178.9000109.7V62 S76 N77 F79 Y104 F107 E114 S115 I116V62-L64 HydrophobicContact CG1-CD2 4.44Å; L64-S76 PolarHBondContact O-N 3.44Å; L64-N77 WeakPolarHBondContact CA-O 3.42Å; L64-N77 HydrophobicContact CB-CB 4.23Å; L64-N77 PolarHBondContact N-O 2.9Å; L64-N77 PolarHBondContact O-N 2.96Å; L64-N77 VanDerWaalsContact O-N 3.09Å; L64-F79 HydrophobicContact CD1-CD1 3.86Å; L64-F79 HydrophobicContact CD1-CE1 3.95Å; L64-F79 HydrophobicContact CD2-CE1 4.1Å; L64-F79 HydrophobicContact CG-CD1 4.17Å; L64-F79 HydrophobicContact CG-CE1 4.05Å; L64-Y104 HydrophobicContact CD2-CD2 4.11Å; L64-Y104 HydrophobicContact CD2-CE2 4.33Å; L64-F107 HydrophobicContact CD1-CB 3.87Å; L64-F107 HydrophobicContact CD1-CD1 3.94Å; L64-F107 HydrophobicContact CD1-CD2 3.91Å; L64-F107 HydrophobicContact CD1-CE1 4.49Å; L64-F107 HydrophobicContact CD1-CE2 4.46Å; L64-F107 HydrophobicContact CD1-CG 3.63Å; L64-E114 HydrophobicContact CB-CB 4.48Å; L64-S115 WeakPolarHBondContact CA-O 3.41Å; L64-I116 HydrophobicContact CD2-CB 4.45Å; L64-I116 HydrophobicContact CD2-CG1 3.98Å
65G93.9Very high89Confident0 Ų041.5 Ų41.50%023%0.227CC..EExtended strand (participates in β ladder)trans179.2-164.3-175.700000113.3N74 S115G65-N74 CarbonylContact C-O 3.57Å; G65-N74 WeakPolarHBondContact CA-O 3.49Å; G65-S115 PolarHBondContact N-O 3.33Å; G65-S115 PolarHBondContact O-N 3.08Å; G65-S115 VanDerWaalsContact O-O 3.08Å; G65-S115 PolarHBondContact O-OG 3.44Å
66T92.1Very high89.6Confident45 Ų4535.7 Ų35.728%0.27620%0.203SC..EExtended strand (participates in β ladder)trans-126140.1177.554.60000109.7N74 R113T66-N74 PolarHBondContact N-O 2.96Å; T66-N74 PolarHBondContact O-N 3.46Å; T66-R113 WeakPolarHBondContact CG2-O 3.48Å
67V90.6Very high90.6Very high91 Ų9136 Ų3655%0.55220%0.201SC*.EExtended strand (participates in β ladder)trans-95.3114.8171-174.10000107.3V73 V117V67-V73 HydrophobicContact CG2-CG2 4.43Å; V67-V117 HydrophobicContact CG2-CG1 4.04Å
68M87.7Confident91.5Very high72 Ų7232.5 Ų32.536%0.35518%0.179SC..  trans-77.6154.1178.5-67.1-171.1-178.900110.9N70 R71 V72 N74M68-N70 WeakPolarHBondContact CB-OD1 3.49Å; M68-N70 PolarHBondContact O-N 3.38Å; M68-R71 PolarHBondContact O-N 3.35Å; M68-R71 VanDerWaalsContact O-N 3.1Å; M68-V72 HydrophobicContact CB-CB 4.41Å; M68-V72 WeakPolarHBondContact CB-O 3.5Å; M68-V72 PolarHBondContact N-O 3Å; M68-N74 HydrophobicContact CE-CB 4.13Å
69P82.7Confident91.8Very high142 Ų14233 Ų3392%0.92218%0.182SC*.THydrogen-bonded Turntrans-58.9-22.7-179.6-25.434.4000114.8R71P69-R71 PolarHBondContact O-N 3.02Å
70N84.5Confident92Very high99 Ų9933.7 Ų33.753%0.52919%0.19SC..THydrogen-bonded Turntrans-83.519177.963.8-8.5000113.6M68 V72M68-N70 WeakPolarHBondContact CB-OD1 3.49Å; M68-N70 PolarHBondContact O-N 3.38Å; N70-V72 VanDerWaalsContact CG-CG2 3.5Å; N70-V72 WeakPolarHBondContact ND2-CG2 3.35Å; N70-V72 PolarHBondContact O-N 2.93Å; N70-V72 VanDerWaalsContact OD1-CB 3.27Å; N70-V72 WeakPolarHBondContact OD1-CB 3.45Å; N70-V72 WeakPolarHBondContact OD1-CG2 3.42Å; N70-V72 PolarHBondContact OD1-N 3.18Å
71R85.8Confident91.9Very high111 Ų11133.9 Ų33.942%0.41919%0.191SC..SBendtrans60.725.2-177-54.5-175.2-174.3-169.13.4113.6D27 F28 P29 V30 S31 M68 P69D27-R71 IonicContact OD1-NH1 3.65Å; D27-R71 IonicContact OD1-NH2 2.66Å; F28-R71 WeakPolarHBondContact O-CD 3.31Å; F28-R71 PolarHBondContact O-NH1 3.4Å; P29-R71 WeakPolarHBondContact O-CB 3.35Å; V30-R71 WeakPolarHBondContact CA-O 3.31Å; S31-R71 PolarHBondContact N-O 2.94Å; M68-R71 PolarHBondContact O-N 3.35Å; M68-R71 VanDerWaalsContact O-N 3.1Å; P69-R71 PolarHBondContact O-N 3.02Å
72V90.7Very high91.8Very high14 Ų1437.1 Ų37.19%0.08521%0.212CC..EExtended strand (participates in β ladder)trans-98.1126.3173.6-179.80000108.9R32 I34 M68 N70R32-V72 HydrophobicContact CB-CG1 4.45Å; R32-V72 HydrophobicContact CB-CG2 4.26Å; R32-V72 WeakPolarHBondContact O-CA 3.33Å; I34-V72 HydrophobicContact CD1-CG1 3.49Å; I34-V72 VanDerWaalsContact CD1-CG1 3.49Å; I34-V72 HydrophobicContact CG1-CG1 3.84Å; M68-V72 HydrophobicContact CB-CB 4.41Å; M68-V72 WeakPolarHBondContact CB-O 3.5Å; M68-V72 PolarHBondContact N-O 3Å; N70-V72 VanDerWaalsContact CG-CG2 3.5Å; N70-V72 WeakPolarHBondContact ND2-CG2 3.35Å; N70-V72 PolarHBondContact O-N 2.93Å; N70-V72 VanDerWaalsContact OD1-CB 3.27Å; N70-V72 WeakPolarHBondContact OD1-CB 3.45Å; N70-V72 WeakPolarHBondContact OD1-CG2 3.42Å; N70-V72 PolarHBondContact OD1-N 3.18Å
73V92.9Very high91.5Very high3 Ų338.1 Ų38.12%0.01822%0.216CC..EExtended strand (participates in β ladder)trans-92.8116.1175.8176.40000108V30 R32 I34 V67 V75 V117 V145V30-V73 HydrophobicContact CB-CG2 4.44Å; V30-V73 HydrophobicContact CG1-CB 4.4Å; V30-V73 HydrophobicContact CG1-CG2 3.72Å; V30-V73 HydrophobicContact CG2-CG2 3.83Å; R32-V73 PolarHBondContact O-N 3.43Å; I34-V73 PolarHBondContact N-O 3.5Å; V67-V73 HydrophobicContact CG2-CG2 4.43Å; V73-V75 HydrophobicContact CG1-CG2 4.13Å; V73-V117 HydrophobicContact CG1-CB 3.73Å; V73-V117 HydrophobicContact CG1-CG1 4.08Å; V73-V117 HydrophobicContact CG1-CG2 3.98Å; V73-V145 HydrophobicContact CG2-CG2 4.15Å
74N93.8Very high91Very high22 Ų2244.6 Ų44.612%0.11825%0.247CC..EExtended strand (participates in β ladder)trans-99.3114.8173.1-172.213.7000110H36 G65 T66 M68H36-N74 PolarHBondContact CD2-OD1 3.5Å; H36-N74 VanDerWaalsContact CD2-OD1 3.25Å; H36-N74 PolarHBondContact NE2-ND2 2.88Å; H36-N74 PolarHBondContact NE2-OD1 3.07Å; G65-N74 CarbonylContact C-O 3.57Å; G65-N74 WeakPolarHBondContact CA-O 3.49Å; T66-N74 PolarHBondContact N-O 2.96Å; T66-N74 PolarHBondContact O-N 3.46Å; M68-N74 HydrophobicContact CE-CB 4.13Å
75V94.7Very high90.5Very high1 Ų147.1 Ų47.11%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-95.8108.6179.9-171.50000109V33 I34 V35 H36 V39 L63 V73 V117 I147V33-V75 HydrophobicContact CG1-CG2 4.12Å; I34-V75 PolarHBondContact O-N 3.43Å; V35-V75 HydrophobicContact CG2-CB 4.48Å; V35-V75 HydrophobicContact CG2-CG2 4.39Å; H36-V75 WeakPolarHBondContact CB-O 3.35Å; H36-V75 PolarHBondContact CD2-O 3.44Å; H36-V75 VanDerWaalsContact CD2-O 3.32Å; H36-V75 PolarHBondContact N-O 3.29Å; V39-V75 HydrophobicContact CG1-CG1 4.24Å; V39-V75 HydrophobicContact CG2-CG1 3.85Å; L63-V75 HydrophobicContact CB-CG1 4.09Å; L63-V75 HydrophobicContact CD2-CG1 3.84Å; L63-V75 HydrophobicContact CG-CG1 4.38Å; V73-V75 HydrophobicContact CG1-CG2 4.13Å; V75-V117 HydrophobicContact CG2-CG2 4.19Å; V75-I147 HydrophobicContact CG2-CD1 3.97Å
76S92.4Very high89.8Confident26 Ų2652 Ų5218%0.18228%0.281CS..EExtended strand (participates in β ladder)trans-96.6-38.7-176.6-52.80000112L64L64-S76 PolarHBondContact O-N 3.44Å
77N94Very high88.7Confident36 Ų3656.9 Ų56.919%0.19331%0.305CS..EExtended strand (participates in β ladder)trans-142.3166.2-173.3-157.3-0.7000111.7L64L64-N77 WeakPolarHBondContact CA-O 3.42Å; L64-N77 HydrophobicContact CB-CB 4.23Å; L64-N77 PolarHBondContact N-O 2.9Å; L64-N77 PolarHBondContact O-N 2.96Å; L64-N77 VanDerWaalsContact O-N 3.09Å
78C94.5Very high87.4Confident7 Ų755.9 Ų55.95%0.04730%0.3CS..EExtended strand (participates in β ladder)trans-153.7156.7175.669.80000111V39 S42 V62 L63 Y120V39-C78 HydrophobicContact CG1-CB 4Å; S42-C78 WeakPolarHBondContact CB-SG 3.27Å; V62-C78 VanDerWaalsContact O-CA 3.24Å; V62-C78 WeakPolarHBondContact O-CA 3.39Å; V62-C78 VanDerWaalsContact O-CB 3.32Å; V62-C78 WeakPolarHBondContact O-CB 3.35Å; L63-C78 HydrophobicContact CD2-CB 3.87Å; C78-Y120 HydrophobicContact CB-CD1 4.2Å; C78-Y120 HydrophobicContact CB-CE1 3.78Å
79F94.8Very high86Confident17 Ų1758.1 Ų58.18%0.07532%0.323CS..EExtended strand (participates in β ladder)trans-138.4154.1170.464.3-87.8000110.9G61 V62 L64 L81 Y99 M103 F107 Y120G61-F79 CarbonylContact C-O 3.51Å; G61-F79 VanDerWaalsContact CA-O 3.25Å; G61-F79 WeakPolarHBondContact CA-O 3.41Å; V62-F79 HydrophobicContact CB-CD1 4.26Å; V62-F79 HydrophobicContact CB-CE1 3.73Å; V62-F79 HydrophobicContact CB-CE2 4.09Å; V62-F79 HydrophobicContact CB-CZ 3.63Å; V62-F79 HydrophobicContact CG1-CE1 3.89Å; V62-F79 HydrophobicContact CG1-CZ 3.99Å; V62-F79 HydrophobicContact CG2-CE1 4.44Å; V62-F79 HydrophobicContact CG2-CE2 4.05Å; V62-F79 HydrophobicContact CG2-CZ 3.84Å; V62-F79 PolarHBondContact N-O 3.3Å; V62-F79 PolarHBondContact O-N 3.38Å; V62-F79 VanDerWaalsContact O-N 3.09Å; L64-F79 HydrophobicContact CD1-CD1 3.86Å; L64-F79 HydrophobicContact CD1-CE1 3.95Å; L64-F79 HydrophobicContact CD2-CE1 4.1Å; L64-F79 HydrophobicContact CG-CD1 4.17Å; L64-F79 HydrophobicContact CG-CE1 4.05Å; F79-L81 HydrophobicContact CD2-CD2 4.32Å; F79-L81 HydrophobicContact CE2-CD2 3.71Å; F79-Y99 HydrophobicContact CD2-CE1 4.47Å; F79-M103 HydrophobicContact CD2-CB 4.18Å; F79-M103 HydrophobicContact CD2-CG 4.5Å; F79-M103 HydrophobicContact CE2-CB 3.75Å; F79-M103 HydrophobicContact CE2-CG 4.38Å; F79-M103 HydrophobicContact CZ-CB 4.07Å; F79-F107 HydrophobicContact CB-CE2 3.84Å; F79-F107 HydrophobicContact CB-CZ 4.16Å; F79-F107 AromaticContact CD1-CD2 3.83Å; F79-F107 HydrophobicContact CD1-CD2 3.83Å; F79-F107 AromaticContact CD1-CE2 3.56Å; F79-F107 HydrophobicContact CD1-CE2 3.56Å; F79-F107 HydrophobicContact CD1-CZ 4.37Å; F79-F107 HydrophobicContact CE1-CD2 4.1Å; F79-F107 HydrophobicContact CE1-CE2 4.25Å; F79-F107 HydrophobicContact CG-CD2 4.43Å; F79-F107 AromaticContact CG-CE2 3.78Å; F79-F107 HydrophobicContact CG-CE2 3.78Å; F79-Y120 PolarHBondContact O-OH 3.03Å
80G93.6Very high84.9Confident20 Ų2057 Ų5721%0.20631%0.309CS..EExtended strand (participates in β ladder)trans-78.2142.2178.900000112.7H46 Y99H46-G80 WeakPolarHBondContact CE1-CA 3.39Å; H46-G80 VanDerWaalsContact ND1-CA 3.28Å; H46-G80 WeakPolarHBondContact ND1-CA 3.43Å; G80-Y99 WeakPolarHBondContact O-CE1 3.38Å
81L92.5Very high84.4Confident3 Ų353.3 Ų53.32%0.01629%0.294CS..  trans-102.1144.2166.7-64.9177.5000109.6V60 V62 F79 F83 I95 Y99 L100V60-L81 PolarHBondContact O-N 2.9Å; V62-L81 HydrophobicContact CG2-CD1 3.6Å; V62-L81 HydrophobicContact CG2-CD2 3.91Å; V62-L81 HydrophobicContact CG2-CG 3.78Å; F79-L81 HydrophobicContact CD2-CD2 4.32Å; F79-L81 HydrophobicContact CE2-CD2 3.71Å; L81-F83 PolarHBondContact O-N 3.08Å; L81-I95 HydrophobicContact CD1-CG2 3.82Å; L81-Y99 HydrophobicContact CD2-CD1 3.94Å; L81-Y99 HydrophobicContact CD2-CE1 4.45Å; L81-L100 HydrophobicContact CD1-CD1 3.96Å; L81-L100 HydrophobicContact CD2-CB 3.91Å; L81-L100 HydrophobicContact CD2-CD1 4.24Å; L81-L100 HydrophobicContact CD2-CG 4.43Å
82P90.6Very high84.3Confident68 Ų6850.7 Ų50.744%0.44229%0.29SS..  trans-58.1110.2160.4-19.932.7000108.7D96 Y99P82-D96 HydrophobicContact CB-CB 4.43Å; P82-D96 HydrophobicContact CG-CB 4.46Å; P82-Y99 VanDerWaalsContact CD-CD1 3.46Å; P82-Y99 HydrophobicContact CG-CD1 4.22Å; P82-Y99 HydrophobicContact CG-CG 4.27Å
83F89.5Confident84.2Confident22 Ų2252 Ų5210%0.09629%0.293CS..EExtended strand (participates in β ladder)trans-129.3125.7-179.1177.2-106.8000108.7R58 V60 L81 E85 W93 F94 I95 V133R58-F83 HydrophobicContact CG-CE1 4.42Å; V60-F83 HydrophobicContact CB-CB 3.91Å; V60-F83 HydrophobicContact CB-CD1 4.07Å; V60-F83 HydrophobicContact CB-CD2 4.11Å; V60-F83 HydrophobicContact CB-CG 3.75Å; V60-F83 HydrophobicContact CG2-CB 4.33Å; V60-F83 HydrophobicContact CG2-CD1 3.52Å; V60-F83 HydrophobicContact CG2-CD2 3.92Å; V60-F83 HydrophobicContact CG2-CE1 3.66Å; V60-F83 HydrophobicContact CG2-CE2 4.03Å; V60-F83 HydrophobicContact CG2-CG 3.64Å; V60-F83 HydrophobicContact CG2-CZ 3.9Å; L81-F83 PolarHBondContact O-N 3.08Å; F83-E85 HydrophobicContact CE1-CB 3.67Å; F83-E85 WeakPolarHBondContact CE1-OE2 3.26Å; F83-E85 HydrophobicContact CZ-CB 3.81Å; F83-E85 HydrophobicContact CZ-CG 4.39Å; F83-W93 HydrophobicContact CE2-CB 3.97Å; F83-W93 HydrophobicContact CE2-CE3 4.34Å; F83-W93 HydrophobicContact CZ-CB 4.19Å; F83-F94 WeakPolarHBondContact CA-O 3.4Å; F83-F94 WeakPolarHBondContact CD2-O 3.45Å; F83-I95 HydrophobicContact CD2-CD1 4.2Å; F83-I95 HydrophobicContact CD2-CG1 3.58Å; F83-I95 HydrophobicContact CE2-CD1 4.35Å; F83-I95 HydrophobicContact CE2-CG1 4.06Å; F83-V133 HydrophobicContact CE2-CG2 4.45Å
84E86Confident84Confident138 Ų13858.3 Ų58.365%0.64532%0.321SS*.EExtended strand (participates in β ladder)trans-123.7128.9174.4-65.8-174.1171.200108.5W93 F94E84-W93 CarbonylContact O-C 3.56Å; E84-W93 WeakPolarHBondContact O-CA 3.26Å; E84-F94 PolarHBondContact N-O 3.46Å; E84-F94 PolarHBondContact O-N 2.98Å
85E83.3Confident83.9Confident53 Ų5358.4 Ų58.425%0.24832%0.321CS..EExtended strand (participates in β ladder)trans-125.9125.8176.2-175168.1-162.100107.1R58 F83 N129R58-E85 WeakPolarHBondContact CD-OE2 3.49Å; R58-E85 IonicContact NH1-OE2 2.91Å; R58-E85 PolarHBondContact NH1-OE2 3.43Å; F83-E85 HydrophobicContact CE1-CB 3.67Å; F83-E85 WeakPolarHBondContact CE1-OE2 3.26Å; F83-E85 HydrophobicContact CZ-CB 3.81Å; F83-E85 HydrophobicContact CZ-CG 4.39Å; E85-N129 PolarHBondContact OE1-ND2 3.32Å
86E78.7Confident83.7Confident101 Ų10161.7 Ų61.747%0.47234%0.339SS..  trans-80.9125.7174.8-159.7-174161.200109.1T88 V92E86-T88 PolarHBondContact O-N 3.29Å; E86-T88 VanDerWaalsContact O-N 3.14Å; E86-T88 WeakPolarHBondContact OE1-CB 3.46Å; E86-T88 PolarHBondContact OE1-OG1 3.47Å; E86-V92 PolarHBondContact N-O 3.49Å
87D69.7Low83.7Confident148 Ų14862.9 Ų62.979%0.79134%0.343SS*.  trans-65.2-14.4176.2-70.1-35.7000112.5
88T63.1Low83.6Confident71 Ų7166.6 Ų66.644%0.43636%0.363SS..SBendtrans-68.5144.6178.3-48.10000110.5E86 N90 G91E86-T88 PolarHBondContact O-N 3.29Å; E86-T88 VanDerWaalsContact O-N 3.14Å; E86-T88 WeakPolarHBondContact OE1-CB 3.46Å; E86-T88 PolarHBondContact OE1-OG1 3.47Å; T88-N90 PolarHBondContact O-N 3.17Å; T88-G91 PolarHBondContact O-N 2.92Å
89S57.7Low83.6Confident119 Ų11970.3 Ų70.383%0.83238%0.377SS*.THydrogen-bonded Turntrans-48-8.9-17458.60000117.9G91S89-G91 VanDerWaalsContact C-N 3.29Å
90N60.7Low83.5Confident119 Ų11969.6 Ų69.664%0.63637%0.373SS*.THydrogen-bonded Turntrans-79.6-11.3180-67-7.3000113T88 V92T88-N90 PolarHBondContact O-N 3.17Å; N90-V92 HydrophobicContact CB-CG2 3.85Å; N90-V92 PolarHBondContact O-N 3.42Å; N90-V92 VanDerWaalsContact O-N 3.13Å
91G73.9Confident83.4Confident21 Ų2173.8 Ų73.822%0.21639%0.387CS..  trans58.129.6175.100000113T88 S89 W93T88-G91 PolarHBondContact O-N 2.92Å; S89-G91 VanDerWaalsContact C-N 3.29Å; G91-W93 PolarHBondContact O-N 3.19Å
92V83.2Confident83.5Confident55 Ų5578.3 Ų78.333%0.33341%0.412SS..  trans-77123.5-179.4-174.70000107.9E86 N90 F94E86-V92 PolarHBondContact N-O 3.49Å; N90-V92 HydrophobicContact CB-CG2 3.85Å; N90-V92 PolarHBondContact O-N 3.42Å; N90-V92 VanDerWaalsContact O-N 3.13Å; V92-F94 HydrophobicContact CG1-CD2 4.19Å; V92-F94 HydrophobicContact CG1-CE2 3.42Å; V92-F94 VanDerWaalsContact CG1-CE2 3.42Å; V92-F94 HydrophobicContact CG1-CZ 3.65Å
93W88.6Confident83.6Confident41 Ų4176.8 Ų76.816%0.15540%0.399CS..EExtended strand (participates in β ladder)trans-126.9147.1177.961.2-93.1000109.6F83 E84 G91 I95 E132 V133 T136F83-W93 HydrophobicContact CE2-CB 3.97Å; F83-W93 HydrophobicContact CE2-CE3 4.34Å; F83-W93 HydrophobicContact CZ-CB 4.19Å; E84-W93 CarbonylContact O-C 3.56Å; E84-W93 WeakPolarHBondContact O-CA 3.26Å; G91-W93 PolarHBondContact O-N 3.19Å; W93-I95 HydrophobicContact CE3-CD1 3.88Å; W93-I95 HydrophobicContact CE3-CG1 3.82Å; W93-I95 HydrophobicContact CH2-CD1 4.45Å; W93-I95 HydrophobicContact CZ3-CB 4.07Å; W93-I95 HydrophobicContact CZ3-CD1 3.52Å; W93-I95 HydrophobicContact CZ3-CG1 3.7Å; W93-E132 HydrophobicContact CZ2-CB 3.86Å; W93-E132 PolarHBondContact NE1-OE2 2.94Å; W93-V133 HydrophobicContact CD2-CG2 3.83Å; W93-V133 HydrophobicContact CE3-CG2 3.95Å; W93-V133 HydrophobicContact CG-CG2 4.39Å; W93-V133 HydrophobicContact CH2-CG2 4.29Å; W93-V133 HydrophobicContact CZ2-CG2 4.18Å; W93-V133 HydrophobicContact CZ3-CG2 4.19Å; W93-T136 HydrophobicContact CH2-CG2 4.17Å; W93-T136 WeakPolarHBondContact CH2-OG1 3.41Å
94F89.1Confident83.8Confident137 Ų13778.5 Ų78.560%0.60141%0.405SS*.EExtended strand (participates in β ladder)trans-127.4132178.6-67.3-79.5000110.3F83 E84 V92F83-F94 WeakPolarHBondContact CA-O 3.4Å; F83-F94 WeakPolarHBondContact CD2-O 3.45Å; E84-F94 PolarHBondContact N-O 3.46Å; E84-F94 PolarHBondContact O-N 2.98Å; V92-F94 HydrophobicContact CG1-CD2 4.19Å; V92-F94 HydrophobicContact CG1-CE2 3.42Å; V92-F94 VanDerWaalsContact CG1-CE2 3.42Å; V92-F94 HydrophobicContact CG1-CZ 3.65Å
95I90.5Very high84.1Confident24 Ų2474 Ų7412%0.12339%0.392CS..EExtended strand (participates in β ladder)trans-125129171.3-67.5173.1000108L81 F83 W93 L97 V133L81-I95 HydrophobicContact CD1-CG2 3.82Å; F83-I95 HydrophobicContact CD2-CD1 4.2Å; F83-I95 HydrophobicContact CD2-CG1 3.58Å; F83-I95 HydrophobicContact CE2-CD1 4.35Å; F83-I95 HydrophobicContact CE2-CG1 4.06Å; W93-I95 HydrophobicContact CE3-CD1 3.88Å; W93-I95 HydrophobicContact CE3-CG1 3.82Å; W93-I95 HydrophobicContact CH2-CD1 4.45Å; W93-I95 HydrophobicContact CZ3-CB 4.07Å; W93-I95 HydrophobicContact CZ3-CD1 3.52Å; W93-I95 HydrophobicContact CZ3-CG1 3.7Å; I95-L97 HydrophobicContact CG2-CD2 4.01Å; I95-L97 PolarHBondContact O-N 3.33Å; I95-V133 HydrophobicContact CD1-CB 4.47Å; I95-V133 HydrophobicContact CD1-CG1 3.69Å; I95-V133 HydrophobicContact CD1-CG2 4.2Å
96D92.1Very high84.7Confident70 Ų7076.5 Ų76.537%0.37441%0.405SS..  trans-77.6100.9171.8-170.9-17.9000110.8P82 D98 Y99 L100P82-D96 HydrophobicContact CB-CB 4.43Å; P82-D96 HydrophobicContact CG-CB 4.46Å; D96-D98 PolarHBondContact OD1-N 2.95Å; D96-Y99 VanDerWaalsContact CG-CB 3.46Å; D96-Y99 PolarHBondContact OD1-N 2.92Å; D96-L100 PolarHBondContact O-N 3.23Å
97L91.1Very high85.3Confident51 Ų5174.4 Ų74.427%0.26739%0.394SS..Hα-helixtrans-75.4-28.6178-61.8-178.1000112.7I95 Y99 L100 E101 T136 F140I95-L97 HydrophobicContact CG2-CD2 4.01Å; I95-L97 PolarHBondContact O-N 3.33Å; L97-Y99 VanDerWaalsContact C-N 3.34Å; L97-L100 WeakPolarHBondContact O-CB 3.2Å; L97-L100 PolarHBondContact O-N 3.43Å; L97-E101 PolarHBondContact O-N 2.9Å; L97-T136 HydrophobicContact CD1-CG2 4.26Å; L97-T136 HydrophobicContact CD2-CG2 4.24Å; L97-F140 HydrophobicContact CD2-CE2 3.93Å; L97-F140 HydrophobicContact CD2-CZ 4.41Å
98D92.7Very high86.3Confident113 Ų11374.4 Ų74.460%0.60438%0.384SS*.Hα-helixtrans-69.5-38.9178-67.4-19.2000109.8D96 L100 E101 N102D96-D98 PolarHBondContact OD1-N 2.95Å; D98-L100 VanDerWaalsContact C-N 3.32Å; D98-E101 PolarHBondContact O-N 2.92Å; D98-N102 WeakPolarHBondContact O-CB 3.19Å; D98-N102 VanDerWaalsContact O-CG 3.32Å; D98-N102 PolarHBondContact O-N 2.85Å; D98-N102 VanDerWaalsContact O-N 3.08Å; D98-N102 PolarHBondContact O-ND2 3.29Å
99Y93.7Very high87.8Confident86 Ų8679.6 Ų79.634%0.33740%0.4SS..Hα-helixtrans-60.8-42.8171.7-175.7-97.3000111.6F79 G80 L81 P82 D96 L97 N102 M103F79-Y99 HydrophobicContact CD2-CE1 4.47Å; G80-Y99 WeakPolarHBondContact O-CE1 3.38Å; L81-Y99 HydrophobicContact CD2-CD1 3.94Å; L81-Y99 HydrophobicContact CD2-CE1 4.45Å; P82-Y99 VanDerWaalsContact CD-CD1 3.46Å; P82-Y99 HydrophobicContact CG-CD1 4.22Å; P82-Y99 HydrophobicContact CG-CG 4.27Å; D96-Y99 VanDerWaalsContact CG-CB 3.46Å; D96-Y99 PolarHBondContact OD1-N 2.92Å; L97-Y99 VanDerWaalsContact C-N 3.34Å; Y99-N102 PolarHBondContact O-N 3.03Å; Y99-M103 HydrophobicContact CD1-CG 3.93Å; Y99-M103 HydrophobicContact CD2-CG 4.21Å; Y99-M103 HydrophobicContact CE1-CG 3.47Å; Y99-M103 VanDerWaalsContact CE1-CG 3.47Å; Y99-M103 HydrophobicContact CE1-SD 4.49Å; Y99-M103 HydrophobicContact CE2-CE 4.42Å; Y99-M103 HydrophobicContact CE2-CG 3.78Å; Y99-M103 HydrophobicContact CE2-SD 4.19Å; Y99-M103 HydrophobicContact CG-CG 4.28Å; Y99-M103 VanDerWaalsContact O-CB 3.31Å; Y99-M103 WeakPolarHBondContact O-CB 3.45Å; Y99-M103 WeakPolarHBondContact O-CG 3.47Å; Y99-M103 PolarHBondContact O-N 2.95Å
100L92.5Very high89.5Confident2 Ų280.2 Ų80.21%0.0140%0.398CS..Hα-helixtrans-58.9-49.5177.7178.8145.5000111.9V62 L81 D96 L97 D98 Y104 I116 L137 F140V62-L100 HydrophobicContact CG2-CD1 3.51Å; V62-L100 HydrophobicContact CG2-CG 4.25Å; L81-L100 HydrophobicContact CD1-CD1 3.96Å; L81-L100 HydrophobicContact CD2-CB 3.91Å; L81-L100 HydrophobicContact CD2-CD1 4.24Å; L81-L100 HydrophobicContact CD2-CG 4.43Å; D96-L100 PolarHBondContact O-N 3.23Å; L97-L100 WeakPolarHBondContact O-CB 3.2Å; L97-L100 PolarHBondContact O-N 3.43Å; D98-L100 VanDerWaalsContact C-N 3.32Å; L100-Y104 WeakPolarHBondContact O-CB 3.33Å; L100-Y104 PolarHBondContact O-N 2.86Å; L100-I116 HydrophobicContact CD2-CD1 4.38Å; L100-L137 HydrophobicContact CD1-CD2 3.88Å; L100-F140 HydrophobicContact CD2-CD1 4.01Å; L100-F140 HydrophobicContact CD2-CD2 4.3Å; L100-F140 HydrophobicContact CD2-CE1 3.92Å; L100-F140 HydrophobicContact CD2-CE2 4.23Å; L100-F140 HydrophobicContact CD2-CG 4.19Å; L100-F140 HydrophobicContact CD2-CZ 4.03Å
101E92.4Very high90.9Very high107 Ų10777 Ų7750%0.538%0.381SS..Hα-helixtrans-64.2-44.5-180-71.9-171.8179.300112.2L97 D98 Y104 A105 F140L97-E101 PolarHBondContact O-N 2.9Å; D98-E101 PolarHBondContact O-N 2.92Å; E101-Y104 PolarHBondContact O-N 2.86Å; E101-A105 WeakPolarHBondContact O-CB 3.32Å; E101-A105 PolarHBondContact O-N 2.84Å; E101-F140 HydrophobicContact CG-CE1 3.85Å; E101-F140 HydrophobicContact CG-CZ 4.38Å; E101-F140 WeakPolarHBondContact OE1-CE1 3.42Å
102N94.3Very high91.7Very high99 Ų9980.1 Ų80.153%0.52941%0.405SS..Hα-helixtrans-63.9-46.5179.8-76.3-49.9000111.8D98 Y99 A105 M106D98-N102 WeakPolarHBondContact O-CB 3.19Å; D98-N102 VanDerWaalsContact O-CG 3.32Å; D98-N102 PolarHBondContact O-N 2.85Å; D98-N102 VanDerWaalsContact O-N 3.08Å; D98-N102 PolarHBondContact O-ND2 3.29Å; Y99-N102 PolarHBondContact O-N 3.03Å; N102-A105 PolarHBondContact O-N 3.03Å; N102-M106 WeakPolarHBondContact O-CG 3.31Å; N102-M106 PolarHBondContact O-N 3.44Å; N102-M106 VanDerWaalsContact O-N 3.12Å
103M93.1Very high92Very high36 Ų3687.5 Ų87.518%0.17743%0.427CS..Hα-helixtrans-65.2-43.4176.8-74.8-63.19900111.7F79 Y99 A105 M106 F107F79-M103 HydrophobicContact CD2-CB 4.18Å; F79-M103 HydrophobicContact CD2-CG 4.5Å; F79-M103 HydrophobicContact CE2-CB 3.75Å; F79-M103 HydrophobicContact CE2-CG 4.38Å; F79-M103 HydrophobicContact CZ-CB 4.07Å; Y99-M103 HydrophobicContact CD1-CG 3.93Å; Y99-M103 HydrophobicContact CD2-CG 4.21Å; Y99-M103 HydrophobicContact CE1-CG 3.47Å; Y99-M103 VanDerWaalsContact CE1-CG 3.47Å; Y99-M103 HydrophobicContact CE1-SD 4.49Å; Y99-M103 HydrophobicContact CE2-CE 4.42Å; Y99-M103 HydrophobicContact CE2-CG 3.78Å; Y99-M103 HydrophobicContact CE2-SD 4.19Å; Y99-M103 HydrophobicContact CG-CG 4.28Å; Y99-M103 VanDerWaalsContact O-CB 3.31Å; Y99-M103 WeakPolarHBondContact O-CB 3.45Å; Y99-M103 WeakPolarHBondContact O-CG 3.47Å; Y99-M103 PolarHBondContact O-N 2.95Å; M103-A105 VanDerWaalsContact C-N 3.29Å; M103-A105 PolarHBondContact O-N 3.49Å; M103-M106 HydrophobicContact CE-CE 3.62Å; M103-M106 HydrophobicContact CE-CG 4.39Å; M103-M106 HydrophobicContact CE-SD 3.41Å; M103-M106 WeakPolarHBondContact CE-SD 3.37Å; M103-M106 WeakPolarHBondContact O-CB 3.44Å; M103-M106 PolarHBondContact O-N 3.42Å; M103-F107 VanDerWaalsContact O-CD2 3.32Å; M103-F107 WeakPolarHBondContact O-CD2 3.45Å; M103-F107 PolarHBondContact O-N 3.08Å
104Y93.2Very high92Very high57 Ų5786.8 Ų86.822%0.22443%0.425CS..Hα-helixtrans-59.7-42.2176.6179-119.8000111.7L64 L100 E101 M106 F107 R108 I116L64-Y104 HydrophobicContact CD2-CD2 4.11Å; L64-Y104 HydrophobicContact CD2-CE2 4.33Å; L100-Y104 WeakPolarHBondContact O-CB 3.33Å; L100-Y104 PolarHBondContact O-N 2.86Å; E101-Y104 PolarHBondContact O-N 2.86Å; Y104-M106 VanDerWaalsContact C-N 3.27Å; Y104-M106 PolarHBondContact O-N 3.46Å; Y104-F107 PolarHBondContact O-N 2.94Å; Y104-R108 WeakPolarHBondContact O-CB 3.4Å; Y104-R108 PolarHBondContact O-N 3.07Å; Y104-I116 HydrophobicContact CD1-CD1 4.1Å; Y104-I116 HydrophobicContact CD1-CG1 4.46Å; Y104-I116 HydrophobicContact CD2-CD1 3.73Å; Y104-I116 HydrophobicContact CD2-CG1 3.42Å; Y104-I116 VanDerWaalsContact CD2-CG1 3.42Å; Y104-I116 HydrophobicContact CE1-CD1 4.43Å; Y104-I116 HydrophobicContact CE1-CG1 4.45Å; Y104-I116 HydrophobicContact CE2-CD1 4.12Å; Y104-I116 HydrophobicContact CE2-CG1 3.44Å; Y104-I116 VanDerWaalsContact CE2-CG1 3.44Å; Y104-I116 HydrophobicContact CG-CD1 3.74Å; Y104-I116 HydrophobicContact CG-CG1 3.98Å
105A93.5Very high92.2Very high45 Ų4582.4 Ų82.437%0.37241%0.411SS..Hα-helixtrans-62-33.2174.600000112.9E101 N102 M103 K109E101-A105 WeakPolarHBondContact O-CB 3.32Å; E101-A105 PolarHBondContact O-N 2.84Å; N102-A105 PolarHBondContact O-N 3.03Å; M103-A105 VanDerWaalsContact C-N 3.29Å; M103-A105 PolarHBondContact O-N 3.49Å; A105-K109 VanDerWaalsContact O-CG 3.31Å; A105-K109 WeakPolarHBondContact O-CG 3.15Å; A105-K109 PolarHBondContact O-N 3.28Å
106M94Very high92.3Very high105 Ų10582.3 Ų82.352%0.51741%0.411SS..Hα-helixtrans-71.4-47.2174-67-171.3-163.500112.1N102 M103 Y104 R108 K109 V110N102-M106 WeakPolarHBondContact O-CG 3.31Å; N102-M106 PolarHBondContact O-N 3.44Å; N102-M106 VanDerWaalsContact O-N 3.12Å; M103-M106 HydrophobicContact CE-CE 3.62Å; M103-M106 HydrophobicContact CE-CG 4.39Å; M103-M106 HydrophobicContact CE-SD 3.41Å; M103-M106 WeakPolarHBondContact CE-SD 3.37Å; M103-M106 WeakPolarHBondContact O-CB 3.44Å; M103-M106 PolarHBondContact O-N 3.42Å; Y104-M106 VanDerWaalsContact C-N 3.27Å; Y104-M106 PolarHBondContact O-N 3.46Å; M106-R108 VanDerWaalsContact C-N 3.3Å; M106-R108 PolarHBondContact O-N 3.12Å; M106-K109 WeakPolarHBondContact O-CB 3.42Å; M106-K109 PolarHBondContact O-N 2.72Å; M106-K109 VanDerWaalsContact O-N 3.08Å; M106-V110 PolarHBondContact O-N 2.8Å
107F92.2Very high92.4Very high56 Ų5679.1 Ų79.125%0.24639%0.394CS..Hα-helixtrans-60.6-40.9177.3-83-71000111.8L64 F79 M103 Y104 K109 V110 N111L64-F107 HydrophobicContact CD1-CB 3.87Å; L64-F107 HydrophobicContact CD1-CD1 3.94Å; L64-F107 HydrophobicContact CD1-CD2 3.91Å; L64-F107 HydrophobicContact CD1-CE1 4.49Å; L64-F107 HydrophobicContact CD1-CE2 4.46Å; L64-F107 HydrophobicContact CD1-CG 3.63Å; F79-F107 HydrophobicContact CB-CE2 3.84Å; F79-F107 HydrophobicContact CB-CZ 4.16Å; F79-F107 AromaticContact CD1-CD2 3.83Å; F79-F107 HydrophobicContact CD1-CD2 3.83Å; F79-F107 AromaticContact CD1-CE2 3.56Å; F79-F107 HydrophobicContact CD1-CE2 3.56Å; F79-F107 HydrophobicContact CD1-CZ 4.37Å; F79-F107 HydrophobicContact CE1-CD2 4.1Å; F79-F107 HydrophobicContact CE1-CE2 4.25Å; F79-F107 HydrophobicContact CG-CD2 4.43Å; F79-F107 AromaticContact CG-CE2 3.78Å; F79-F107 HydrophobicContact CG-CE2 3.78Å; M103-F107 VanDerWaalsContact O-CD2 3.32Å; M103-F107 WeakPolarHBondContact O-CD2 3.45Å; M103-F107 PolarHBondContact O-N 3.08Å; Y104-F107 PolarHBondContact O-N 2.94Å; F107-K109 VanDerWaalsContact C-N 3.25Å; F107-K109 PolarHBondContact O-N 2.91Å; F107-V110 PolarHBondContact O-N 3.46Å; F107-N111 PolarHBondContact O-N 2.94Å
108R91.6Very high92.5Very high149 Ų14976.8 Ų76.856%0.56238%0.382SS*.Hα-helixtrans-63.4-28.7176.1-167.5176.5178.9-170.61.1113.3Y104 M106 N111 A112Y104-R108 WeakPolarHBondContact O-CB 3.4Å; Y104-R108 PolarHBondContact O-N 3.07Å; M106-R108 VanDerWaalsContact C-N 3.3Å; M106-R108 PolarHBondContact O-N 3.12Å; R108-N111 CarbonylContact O-C 3.54Å; R108-A112 PolarHBondContact O-N 3.34Å
109K93.6Very high92.6Very high179 Ų17971.5 Ų71.578%0.77835%0.354SS*.Hα-helixtrans-71.3-32.4172.9-73.6170.7-174.2177.40112.4A105 M106 F107A105-K109 VanDerWaalsContact O-CG 3.31Å; A105-K109 WeakPolarHBondContact O-CG 3.15Å; A105-K109 PolarHBondContact O-N 3.28Å; M106-K109 WeakPolarHBondContact O-CB 3.42Å; M106-K109 PolarHBondContact O-N 2.72Å; M106-K109 VanDerWaalsContact O-N 3.08Å; F107-K109 VanDerWaalsContact C-N 3.25Å; F107-K109 PolarHBondContact O-N 2.91Å
110V93.4Very high92.7Very high132 Ų13267.5 Ų67.580%0.834%0.338SS*.Hα-helixtrans-79.8-48.2178.3178.60000110.5M106 F107M106-V110 PolarHBondContact O-N 2.8Å; F107-V110 PolarHBondContact O-N 3.46Å
111N90.3Very high92.7Very high53 Ų5367.4 Ų67.428%0.28334%0.338SS..  trans-134.6104.8179.6-168.9-1.9000110.6F107 R108 R113 E114F107-N111 PolarHBondContact O-N 2.94Å; R108-N111 CarbonylContact O-C 3.54Å; N111-R113 PolarHBondContact O-N 3.33Å; N111-R113 WeakPolarHBondContact OD1-CB 3.33Å; N111-R113 PolarHBondContact OD1-N 2.89Å; N111-R113 VanDerWaalsContact OD1-N 3.14Å; N111-E114 HydrophobicContact CB-CG 4.48Å; N111-E114 PolarHBondContact ND2-OE1 3.28Å; N111-E114 PolarHBondContact O-N 2.86Å
112A90.3Very high92.5Very high85 Ų8562.3 Ų62.370%0.70231%0.314SS*.THydrogen-bonded Turntrans-73.3-11.3179.700000113.8R108R108-A112 PolarHBondContact O-N 3.34Å
113R89.8Confident91.7Very high211 Ų21158 Ų5880%0.79629%0.292SS*.THydrogen-bonded Turntrans-81.5-24.7178.7-64.1-177.6175.8-178.7-0.9112.6T66 N111T66-R113 WeakPolarHBondContact CG2-O 3.48Å; N111-R113 PolarHBondContact O-N 3.33Å; N111-R113 WeakPolarHBondContact OD1-CB 3.33Å; N111-R113 PolarHBondContact OD1-N 2.89Å; N111-R113 VanDerWaalsContact OD1-N 3.14Å
114E89.6Confident90.9Very high25 Ų2559.8 Ų59.812%0.11731%0.307CS..  trans-80.2124.8-178.6-78.3171.4-149.800111L64 N111L64-E114 HydrophobicContact CB-CB 4.48Å; N111-E114 HydrophobicContact CB-CG 4.48Å; N111-E114 PolarHBondContact ND2-OE1 3.28Å; N111-E114 PolarHBondContact O-N 2.86Å
115S91.9Very high90.5Very high45 Ų4562.1 Ų62.132%0.31532%0.323SS..EExtended strand (participates in β ladder)trans-112.7161.2169.655.70000110.1L64 G65 V117L64-S115 WeakPolarHBondContact CA-O 3.41Å; G65-S115 PolarHBondContact N-O 3.33Å; G65-S115 PolarHBondContact O-N 3.08Å; G65-S115 VanDerWaalsContact O-O 3.08Å; G65-S115 PolarHBondContact O-OG 3.44Å; S115-V117 PolarHBondContact O-N 3.19Å
116I93.5Very high90.1Very high22 Ų2263.1 Ų63.111%0.11332%0.322CS..EExtended strand (participates in β ladder)trans-71.3122.5171.7-44.3-178.8000108.6V62 L64 L100 Y104 I141V62-I116 HydrophobicContact CG1-CB 4.43Å; V62-I116 HydrophobicContact CG1-CG1 4.45Å; V62-I116 HydrophobicContact CG1-CG2 3.25Å; L64-I116 HydrophobicContact CD2-CB 4.45Å; L64-I116 HydrophobicContact CD2-CG1 3.98Å; L100-I116 HydrophobicContact CD2-CD1 4.38Å; Y104-I116 HydrophobicContact CD1-CD1 4.1Å; Y104-I116 HydrophobicContact CD1-CG1 4.46Å; Y104-I116 HydrophobicContact CD2-CD1 3.73Å; Y104-I116 HydrophobicContact CD2-CG1 3.42Å; Y104-I116 VanDerWaalsContact CD2-CG1 3.42Å; Y104-I116 HydrophobicContact CE1-CD1 4.43Å; Y104-I116 HydrophobicContact CE1-CG1 4.45Å; Y104-I116 HydrophobicContact CE2-CD1 4.12Å; Y104-I116 HydrophobicContact CE2-CG1 3.44Å; Y104-I116 VanDerWaalsContact CE2-CG1 3.44Å; Y104-I116 HydrophobicContact CG-CD1 3.74Å; Y104-I116 HydrophobicContact CG-CG1 3.98Å; I116-I141 HydrophobicContact CB-CD1 3.84Å; I116-I141 HydrophobicContact CB-CG1 4.06Å; I116-I141 HydrophobicContact CG2-CD1 3.31Å; I116-I141 HydrophobicContact CG2-CG1 4.04Å
117V92.9Very high89.8Confident4 Ų461.9 Ų61.92%0.02431%0.312CS..EExtended strand (participates in β ladder)trans-107.1-18.5-178.1-65.80000112.8L63 V67 V73 V75 S115 V145L63-V117 HydrophobicContact CB-CG2 3.87Å; L63-V117 WeakPolarHBondContact O-CG2 3.48Å; L63-V117 PolarHBondContact O-N 2.83Å; V67-V117 HydrophobicContact CG2-CG1 4.04Å; V73-V117 HydrophobicContact CG1-CB 3.73Å; V73-V117 HydrophobicContact CG1-CG1 4.08Å; V73-V117 HydrophobicContact CG1-CG2 3.98Å; V75-V117 HydrophobicContact CG2-CG2 4.19Å; S115-V117 PolarHBondContact O-N 3.19Å; V117-V145 PolarHBondContact O-N 3.42Å
118G94Very high89.4Confident2 Ų267.9 Ų67.92%0.02134%0.338CS..EExtended strand (participates in β ladder)trans167.8-154.2-178.200000112L63 V145L63-G118 PolarHBondContact N-O 3.47Å; G118-V145 CarbonylContact C-O 3.53Å; G118-V145 VanDerWaalsContact CA-O 3.25Å; G118-V145 WeakPolarHBondContact CA-O 3.49Å
119W95.1Very high89.3Confident1 Ų161.9 Ų61.90%0.00432%0.317CS..EExtended strand (participates in β ladder)trans-144.7160.4-178.462.8-74.8000110.6V60 G61 L63 H121 D130 V133 N134 L137 V145 L146 I147V60-W119 HydrophobicContact CG1-CE3 3.96Å; V60-W119 HydrophobicContact CG1-CZ3 4.37Å; G61-W119 CarbonylContact O-C 3.56Å; G61-W119 VanDerWaalsContact O-CA 3.26Å; G61-W119 WeakPolarHBondContact O-CA 3.3Å; G61-W119 VanDerWaalsContact O-CB 3.27Å; G61-W119 WeakPolarHBondContact O-CB 3.38Å; L63-W119 WeakPolarHBondContact CD1-O 3.27Å; W119-H121 HydrophobicContact CZ3-CB 4.2Å; W119-H121 AromaticContact CZ3-CD2 3.71Å; W119-D130 HydrophobicContact CH2-CB 3.95Å; W119-D130 HydrophobicContact CZ2-CB 4.43Å; W119-V133 HydrophobicContact CD2-CG1 4.34Å; W119-V133 HydrophobicContact CE3-CG1 4.1Å; W119-V133 HydrophobicContact CH2-CB 4.14Å; W119-V133 HydrophobicContact CH2-CG1 3.8Å; W119-V133 HydrophobicContact CZ2-CB 4.43Å; W119-V133 HydrophobicContact CZ2-CG1 4.08Å; W119-V133 HydrophobicContact CZ3-CG1 3.81Å; W119-N134 HydrophobicContact CZ2-CB 4.07Å; W119-N134 PolarHBondContact NE1-OD1 3.48Å; W119-L137 HydrophobicContact CB-CD1 3.55Å; W119-L137 VanDerWaalsContact CD1-CD1 3.45Å; W119-L137 HydrophobicContact CD2-CD1 3.82Å; W119-L137 HydrophobicContact CG-CD1 3.32Å; W119-V145 PolarHBondContact N-O 3.5Å; W119-L146 HydrophobicContact CD2-CD1 3.9Å; W119-L146 HydrophobicContact CE3-CD1 3.86Å; W119-L146 HydrophobicContact CH2-CD1 3.72Å; W119-L146 HydrophobicContact CH2-CD2 4.21Å; W119-L146 HydrophobicContact CZ2-CB 4.28Å; W119-L146 HydrophobicContact CZ2-CD1 3.72Å; W119-L146 HydrophobicContact CZ2-CD2 3.99Å; W119-L146 HydrophobicContact CZ2-CG 4.2Å; W119-L146 HydrophobicContact CZ3-CD1 3.78Å; W119-L146 WeakPolarHBondContact O-CA 2.98Å; W119-I147 PolarHBondContact O-N 3.44Å
120Y95.1Very high89.2Confident2 Ų253.3 Ų53.31%0.00828%0.28CS..EExtended strand (participates in β ladder)trans-124.2157.317569.8-88.4000110V43 H46 V60 G61 L63 C78 F79 I147V43-Y120 HydrophobicContact CB-CD2 4.32Å; V43-Y120 HydrophobicContact CB-CE2 4.11Å; V43-Y120 HydrophobicContact CG1-CD2 3.78Å; V43-Y120 HydrophobicContact CG1-CE2 3.73Å; V43-Y120 HydrophobicContact CG2-CD1 4.25Å; V43-Y120 HydrophobicContact CG2-CD2 3.55Å; V43-Y120 HydrophobicContact CG2-CE1 4.17Å; V43-Y120 HydrophobicContact CG2-CE2 3.51Å; V43-Y120 HydrophobicContact CG2-CG 3.93Å; H46-Y120 AromaticContact ND1-CZ 3.98Å; H46-Y120 PolarHBondContact ND1-OH 3.33Å; V60-Y120 WeakPolarHBondContact CA-O 3.37Å; G61-Y120 VanDerWaalsContact C-CD1 3.47Å; G61-Y120 PolarHBondContact N-O 2.97Å; G61-Y120 WeakPolarHBondContact O-CD1 3.36Å; G61-Y120 PolarHBondContact O-N 3.01Å; L63-Y120 HydrophobicContact CD2-CD1 3.52Å; L63-Y120 HydrophobicContact CD2-CE1 4.43Å; L63-Y120 HydrophobicContact CD2-CG 4.15Å; L63-Y120 HydrophobicContact CG-CD1 4Å; C78-Y120 HydrophobicContact CB-CD1 4.2Å; C78-Y120 HydrophobicContact CB-CE1 3.78Å; F79-Y120 PolarHBondContact O-OH 3.03Å; Y120-I147 WeakPolarHBondContact CA-O 3.28Å; Y120-I147 VanDerWaalsContact CB-O 3.29Å; Y120-I147 WeakPolarHBondContact CB-O 3.39Å
121H92.6Very high89Confident0 Ų048.9 Ų48.90%025%0.253CS..EExtended strand (participates in β ladder)trans-133.3153.7157.268.790.7000110.9R58 V59 V60 W119 G123 N125 D130 L146 I147 V148 V149R58-H121 HydrophobicContact CG-CB 4.42Å; R58-H121 PolarHBondContact NH2-CD2 2.89Å; R58-H121 VanDerWaalsContact NH2-CG 3.27Å; V59-H121 CarbonylContact O-C 3.49Å; V59-H121 WeakPolarHBondContact O-CA 3.5Å; V59-H121 WeakPolarHBondContact O-CB 3.5Å; V60-H121 HydrophobicContact CG2-CB 3.99Å; W119-H121 HydrophobicContact CZ3-CB 4.2Å; W119-H121 AromaticContact CZ3-CD2 3.71Å; H121-G123 PolarHBondContact O-N 3.26Å; H121-N125 PolarHBondContact CE1-O 3.49Å; H121-D130 IonicContact NE2-OD2 3.63Å; H121-D130 PolarHBondContact NE2-OD2 3.25Å; H121-L146 WeakPolarHBondContact CD2-CD1 3.35Å; H121-I147 PolarHBondContact N-O 2.88Å; H121-I147 VanDerWaalsContact N-O 3.15Å; H121-V148 VanDerWaalsContact NE2-CG2 3.32Å; H121-V148 WeakPolarHBondContact NE2-CG2 3.38Å; H121-V149 PolarHBondContact O-N 3.29Å
122S88Confident88.9Confident0 Ų050.7 Ų50.70%026%0.26CS..EExtended strand (participates in β ladder)trans-67.6124.5165.3640000107.7R58 V59 V149R58-S122 WeakPolarHBondContact CA-OG 3.37Å; V59-S122 PolarHBondContact N-OG 2.81Å; V59-S122 PolarHBondContact O-N 3.41Å; S122-V149 WeakPolarHBondContact CA-O 3.43Å
123G77.9Confident88.9Confident8 Ų846.6 Ų46.68%0.08223%0.226CC..  trans-61.9-165.4176.700000113H121 V149H121-G123 PolarHBondContact O-N 3.26Å; G123-V149 PolarHBondContact N-O 2.95Å
124P77.2Confident89Confident74 Ų7436.6 Ų36.648%0.48119%0.188SC..SBendcis-96.4-29.239.530.3-34.6000116
125N83.2Confident89Confident106 Ų10639.2 Ų39.257%0.56720%0.201SC*.SBendtrans-127.2170-174-64.4-27.9000110.6H121 Y127H121-N125 PolarHBondContact CE1-O 3.49Å; N125-Y127 VanDerWaalsContact O-CD2 3.32Å; N125-Y127 WeakPolarHBondContact O-CD2 3.37Å; N125-Y127 VanDerWaalsContact O-CE2 3.22Å; N125-Y127 WeakPolarHBondContact O-CE2 3.39Å
126L86.9Confident88.9Confident67 Ų6738.3 Ų38.335%0.35119%0.193SC..  trans-70.7141.7169.2-67.3171.2000110.2D130 L146 V148 Y163 F180L126-D130 WeakPolarHBondContact CA-OD2 3.43Å; L126-L146 HydrophobicContact CD2-CD2 3.6Å; L126-V148 HydrophobicContact CD2-CG2 3.83Å; L126-Y163 HydrophobicContact CD1-CD1 4.2Å; L126-Y163 HydrophobicContact CD1-CE1 3.92Å; L126-Y163 HydrophobicContact CD1-CE2 4.29Å; L126-Y163 HydrophobicContact CD2-CD2 4.06Å; L126-Y163 HydrophobicContact CD2-CE2 4.06Å; L126-Y163 HydrophobicContact CG-CE2 4.32Å; L126-F180 HydrophobicContact CD1-CB 4.17Å
127Y85.9Confident88.7Confident79 Ų7937.6 Ų37.631%0.3119%0.19SC..  trans-109.3156.9176.1-61.3-93.7000110.5N125 N129 D130N125-Y127 VanDerWaalsContact O-CD2 3.32Å; N125-Y127 WeakPolarHBondContact O-CD2 3.37Å; N125-Y127 VanDerWaalsContact O-CE2 3.22Å; N125-Y127 WeakPolarHBondContact O-CE2 3.39Å; Y127-N129 PolarHBondContact O-N 2.9Å; Y127-D130 PolarHBondContact N-OD2 3.48Å; Y127-D130 VanDerWaalsContact O-CB 3.26Å; Y127-D130 WeakPolarHBondContact O-CB 3.32Å; Y127-D130 PolarHBondContact O-N 3.03Å
128K85.4Confident88.6Confident182 Ų18240.8 Ų40.879%0.79120%0.203SC*.THydrogen-bonded Turntrans-61-35.6177.6-172.5-176.3174.3-167.10112.1D130K128-D130 PolarHBondContact O-N 2.8Å
129N88.7Confident88.3Confident22 Ų2248.3 Ų48.312%0.11824%0.235CC..THydrogen-bonded Turntrans-67.6-14.8-178.4-62.9-10.4000112.7E85 Y127 V131 E132 V133E85-N129 PolarHBondContact OE1-ND2 3.32Å; Y127-N129 PolarHBondContact O-N 2.9Å; N129-V131 PolarHBondContact O-N 3.24Å; N129-E132 PolarHBondContact O-N 3.02Å; N129-E132 VanDerWaalsContact O-N 3.1Å; N129-V133 WeakPolarHBondContact O-CG2 3.49Å; N129-V133 PolarHBondContact O-N 3.47Å
130D90.8Very high87.7Confident0 Ų051.8 Ų51.80%025%0.251CS..Hα-helixtrans-63.8-30.6-177.1-61.1-5000112.2R58 W119 H121 L126 Y127 K128 N134 F180R58-D130 IonicContact CZ-OD1 2.59Å; R58-D130 IonicContact NH1-OD1 3.24Å; R58-D130 PolarHBondContact NH1-OD1 3.42Å; R58-D130 IonicContact NH2-OD1 2.77Å; R58-D130 PolarHBondContact NH2-OD1 3.03Å; R58-D130 IonicContact NH2-OD2 3.04Å; W119-D130 HydrophobicContact CH2-CB 3.95Å; W119-D130 HydrophobicContact CZ2-CB 4.43Å; H121-D130 IonicContact NE2-OD2 3.63Å; H121-D130 PolarHBondContact NE2-OD2 3.25Å; L126-D130 WeakPolarHBondContact CA-OD2 3.43Å; Y127-D130 PolarHBondContact N-OD2 3.48Å; Y127-D130 VanDerWaalsContact O-CB 3.26Å; Y127-D130 WeakPolarHBondContact O-CB 3.32Å; Y127-D130 PolarHBondContact O-N 3.03Å; K128-D130 PolarHBondContact O-N 2.8Å; D130-N134 VanDerWaalsContact O-CB 3.23Å; D130-N134 WeakPolarHBondContact O-CB 3.5Å; D130-N134 PolarHBondContact O-N 3.39Å; D130-F180 HydrophobicContact CB-CE2 3.79Å; D130-F180 HydrophobicContact CB-CZ 4.27Å
131V89.1Confident87.2Confident38 Ų3852.7 Ų52.723%0.2326%0.256CS..Hα-helixtrans-65-46175.8-178.50000110.1N129 N134 E135 K178 F180N129-V131 PolarHBondContact O-N 3.24Å; V131-N134 PolarHBondContact O-N 3.37Å; V131-E135 WeakPolarHBondContact O-CG 3.43Å; V131-E135 PolarHBondContact O-N 3.1Å; V131-K178 HydrophobicContact CG1-CB 3.88Å; V131-K178 HydrophobicContact CG1-CD 4.24Å; V131-F180 HydrophobicContact CG2-CE2 3.88Å
132E88.9Confident86.7Confident91 Ų9160 Ų6043%0.42530%0.295SS..Hα-helixtrans-69.2-40.4-179.4-58.8-178.2-17700112.1W93 N129 N134 E135 T136W93-E132 HydrophobicContact CZ2-CB 3.86Å; W93-E132 PolarHBondContact NE1-OE2 2.94Å; N129-E132 PolarHBondContact O-N 3.02Å; N129-E132 VanDerWaalsContact O-N 3.1Å; E132-N134 VanDerWaalsContact C-N 3.32Å; E132-N134 PolarHBondContact O-N 2.76Å; E132-E135 PolarHBondContact O-N 3.44Å; E132-T136 PolarHBondContact O-N 2.86Å; E132-T136 VanDerWaalsContact O-N 3.08Å; E132-T136 PolarHBondContact O-OG1 3.41Å; E132-T136 VanDerWaalsContact O-OG1 3.07Å
133V90.2Very high86.6Confident0 Ų063.2 Ų63.20%031%0.314CS..Hα-helixtrans-60.5-44.4173.4171.70000110.2F83 W93 I95 W119 N129 E135 T136 L137F83-V133 HydrophobicContact CE2-CG2 4.45Å; W93-V133 HydrophobicContact CD2-CG2 3.83Å; W93-V133 HydrophobicContact CE3-CG2 3.95Å; W93-V133 HydrophobicContact CG-CG2 4.39Å; W93-V133 HydrophobicContact CH2-CG2 4.29Å; W93-V133 HydrophobicContact CZ2-CG2 4.18Å; W93-V133 HydrophobicContact CZ3-CG2 4.19Å; I95-V133 HydrophobicContact CD1-CB 4.47Å; I95-V133 HydrophobicContact CD1-CG1 3.69Å; I95-V133 HydrophobicContact CD1-CG2 4.2Å; W119-V133 HydrophobicContact CD2-CG1 4.34Å; W119-V133 HydrophobicContact CE3-CG1 4.1Å; W119-V133 HydrophobicContact CH2-CB 4.14Å; W119-V133 HydrophobicContact CH2-CG1 3.8Å; W119-V133 HydrophobicContact CZ2-CB 4.43Å; W119-V133 HydrophobicContact CZ2-CG1 4.08Å; W119-V133 HydrophobicContact CZ3-CG1 3.81Å; N129-V133 WeakPolarHBondContact O-CG2 3.49Å; N129-V133 PolarHBondContact O-N 3.47Å; V133-E135 PolarHBondContact O-N 3.47Å; V133-T136 PolarHBondContact O-N 3.34Å; V133-L137 HydrophobicContact CG1-CD1 4.08Å; V133-L137 WeakPolarHBondContact O-CG 3.34Å; V133-L137 PolarHBondContact O-N 3.5Å; V133-L137 VanDerWaalsContact O-N 3.08Å
134N92Very high87.3Confident0 Ų063 Ų630%031%0.311CS..Hα-helixtrans-63.9-41.7178.7-16056.5000112.2W119 D130 V131 E132 T136 L137 K138 P144 E165 F180W119-N134 HydrophobicContact CZ2-CB 4.07Å; W119-N134 PolarHBondContact NE1-OD1 3.48Å; D130-N134 VanDerWaalsContact O-CB 3.23Å; D130-N134 WeakPolarHBondContact O-CB 3.5Å; D130-N134 PolarHBondContact O-N 3.39Å; V131-N134 PolarHBondContact O-N 3.37Å; E132-N134 VanDerWaalsContact C-N 3.32Å; E132-N134 PolarHBondContact O-N 2.76Å; N134-T136 VanDerWaalsContact C-N 3.26Å; N134-T136 PolarHBondContact O-N 3.07Å; N134-L137 PolarHBondContact O-N 3.28Å; N134-K138 WeakPolarHBondContact O-CG 3.24Å; N134-K138 PolarHBondContact O-N 2.94Å; N134-P144 WeakPolarHBondContact OD1-CG 3.31Å; N134-E165 PolarHBondContact ND2-OE2 3.49Å; N134-F180 HydrophobicContact CB-CE1 4.44Å; N134-F180 HydrophobicContact CB-CZ 4.01Å
135E89.8Confident88Confident81 Ų8159.6 Ų59.638%0.37929%0.289SS..Hα-helixtrans-60.7-35.5174.9-75.5-174.8172.500112.9V131 E132 V133 K138 K178V131-E135 WeakPolarHBondContact O-CG 3.43Å; V131-E135 PolarHBondContact O-N 3.1Å; E132-E135 PolarHBondContact O-N 3.44Å; V133-E135 PolarHBondContact O-N 3.47Å; E135-K138 WeakPolarHBondContact O-CB 3.38Å; E135-K138 PolarHBondContact O-N 3.13Å; E135-K178 VanDerWaalsContact OE1-CD 3.32Å; E135-K178 WeakPolarHBondContact OE1-CD 3.43Å; E135-K178 WeakPolarHBondContact OE1-CE 3.21Å; E135-K178 IonicContact OE1-NZ 3.33Å; E135-K178 PolarHBondContact OE1-NZ 2.91Å
136T90.3Very high88.6Confident26 Ų2654.6 Ų54.616%0.1626%0.262CS..Hα-helixtrans-70.7-39178.3-61.10000111.2W93 L97 E132 V133 N134 K139W93-T136 HydrophobicContact CH2-CG2 4.17Å; W93-T136 WeakPolarHBondContact CH2-OG1 3.41Å; L97-T136 HydrophobicContact CD1-CG2 4.26Å; L97-T136 HydrophobicContact CD2-CG2 4.24Å; E132-T136 PolarHBondContact O-N 2.86Å; E132-T136 VanDerWaalsContact O-N 3.08Å; E132-T136 PolarHBondContact O-OG1 3.41Å; E132-T136 VanDerWaalsContact O-OG1 3.07Å; V133-T136 PolarHBondContact O-N 3.34Å; N134-T136 VanDerWaalsContact C-N 3.26Å; N134-T136 PolarHBondContact O-N 3.07Å; T136-K139 WeakPolarHBondContact O-CB 3.33Å; T136-K139 WeakPolarHBondContact O-CG 3.32Å; T136-K139 PolarHBondContact O-N 2.95Å
137L89.2Confident88.9Confident7 Ų751.5 Ų51.54%0.03725%0.246CC..Hα-helixtrans-75-23.8176.4-67.8171.5000113.1L100 W119 V133 N134 K139 F140 I141L100-L137 HydrophobicContact CD1-CD2 3.88Å; W119-L137 HydrophobicContact CB-CD1 3.55Å; W119-L137 VanDerWaalsContact CD1-CD1 3.45Å; W119-L137 HydrophobicContact CD2-CD1 3.82Å; W119-L137 HydrophobicContact CG-CD1 3.32Å; V133-L137 HydrophobicContact CG1-CD1 4.08Å; V133-L137 WeakPolarHBondContact O-CG 3.34Å; V133-L137 PolarHBondContact O-N 3.5Å; V133-L137 VanDerWaalsContact O-N 3.08Å; N134-L137 PolarHBondContact O-N 3.28Å; L137-K139 PolarHBondContact O-N 3.45Å; L137-K139 VanDerWaalsContact O-N 3.09Å; L137-F140 PolarHBondContact O-N 3.16Å; L137-I141 PolarHBondContact O-N 3.18Å
138K89.4Confident89.2Confident70 Ų7047.9 Ų47.930%0.30423%0.232SC..THydrogen-bonded Turntrans-57.7-21.1171.6-84.8-179.9167.91790113.6N134 E135 F140 I141 P144 E165N134-K138 WeakPolarHBondContact O-CG 3.24Å; N134-K138 PolarHBondContact O-N 2.94Å; E135-K138 WeakPolarHBondContact O-CB 3.38Å; E135-K138 PolarHBondContact O-N 3.13Å; K138-F140 PolarHBondContact O-N 3.05Å; K138-I141 CarbonylContact C-O 3.5Å; K138-I141 VanDerWaalsContact CA-O 3.26Å; K138-I141 WeakPolarHBondContact CA-O 3.17Å; K138-P144 HydrophobicContact CG-CG 3.7Å; K138-E165 WeakPolarHBondContact CE-OE2 3.27Å; K138-E165 IonicContact NZ-OE1 3.74Å; K138-E165 PolarHBondContact NZ-OE1 3.09Å; K138-E165 IonicContact NZ-OE2 2.78Å; K138-E165 PolarHBondContact NZ-OE2 3.08Å
139K87.5Confident89.5Confident160 Ų16039.5 Ų39.570%0.69620%0.196SC*.THydrogen-bonded Turntrans-63.6-24.9173-63177.3-175.2170.70113T136 L137T136-K139 WeakPolarHBondContact O-CB 3.33Å; T136-K139 WeakPolarHBondContact O-CG 3.32Å; T136-K139 PolarHBondContact O-N 2.95Å; L137-K139 PolarHBondContact O-N 3.45Å; L137-K139 VanDerWaalsContact O-N 3.09Å
140F83.9Confident89.3Confident74 Ų7441.8 Ų41.833%0.32520%0.203SC..THydrogen-bonded Turntrans-103.4-22.6-179-61-84.1000113L97 L100 E101 L137 K138L97-F140 HydrophobicContact CD2-CE2 3.93Å; L97-F140 HydrophobicContact CD2-CZ 4.41Å; L100-F140 HydrophobicContact CD2-CD1 4.01Å; L100-F140 HydrophobicContact CD2-CD2 4.3Å; L100-F140 HydrophobicContact CD2-CE1 3.92Å; L100-F140 HydrophobicContact CD2-CE2 4.23Å; L100-F140 HydrophobicContact CD2-CG 4.19Å; L100-F140 HydrophobicContact CD2-CZ 4.03Å; E101-F140 HydrophobicContact CG-CE1 3.85Å; E101-F140 HydrophobicContact CG-CZ 4.38Å; E101-F140 WeakPolarHBondContact OE1-CE1 3.42Å; L137-F140 PolarHBondContact O-N 3.16Å; K138-F140 PolarHBondContact O-N 3.05Å
141I84.9Confident88.6Confident22 Ų2243.1 Ų43.111%0.11322%0.215CC..  trans-141.3129.8-171.8-46.3168.6000109.1I116 L137 K138 T143 P144I116-I141 HydrophobicContact CB-CD1 3.84Å; I116-I141 HydrophobicContact CB-CG1 4.06Å; I116-I141 HydrophobicContact CG2-CD1 3.31Å; I116-I141 HydrophobicContact CG2-CG1 4.04Å; L137-I141 PolarHBondContact O-N 3.18Å; K138-I141 CarbonylContact C-O 3.5Å; K138-I141 VanDerWaalsContact CA-O 3.26Å; K138-I141 WeakPolarHBondContact CA-O 3.17Å; I141-T143 PolarHBondContact O-N 3.23Å; I141-P144 HydrophobicContact CD1-CB 4.34Å
142D81.9Confident87.9Confident153 Ų15349.5 Ų49.582%0.81824%0.239SC*.SBendtrans-62.4-42.9179.8-61.8-34.1000112.4
143T86.4Confident87.1Confident68 Ų6851.5 Ų51.542%0.41726%0.26SS..SBendtrans-13379.4-177.158.60000111.5P29 I141 V145P29-T143 HydrophobicContact CB-CG2 4.08Å; P29-T143 HydrophobicContact CG-CG2 4.03Å; I141-T143 PolarHBondContact O-N 3.23Å; T143-V145 PolarHBondContact O-N 3.14Å
144P91.3Very high86.4Confident3 Ų355.7 Ų55.72%0.01928%0.281CS..PPolyproline II helixtrans-68.1130.1178.327-33.7000111.4N134 K138 I141N134-P144 WeakPolarHBondContact OD1-CG 3.31Å; K138-P144 HydrophobicContact CG-CG 3.7Å; I141-P144 HydrophobicContact CD1-CB 4.34Å
145V93.1Very high85.3Confident3 Ų364 Ų642%0.01832%0.319CS..EExtended strand (participates in β ladder)trans-87129.8168.5177.80000109.3V30 V33 V73 V117 G118 W119 T143 I147V30-V145 HydrophobicContact CG1-CG2 4.48Å; V30-V145 HydrophobicContact CG2-CG2 4.12Å; V33-V145 HydrophobicContact CG1-CG1 4.42Å; V33-V145 HydrophobicContact CG2-CG1 3.83Å; V73-V145 HydrophobicContact CG2-CG2 4.15Å; V117-V145 PolarHBondContact O-N 3.42Å; G118-V145 CarbonylContact C-O 3.53Å; G118-V145 VanDerWaalsContact CA-O 3.25Å; G118-V145 WeakPolarHBondContact CA-O 3.49Å; W119-V145 PolarHBondContact N-O 3.5Å; T143-V145 PolarHBondContact O-N 3.14Å; V145-I147 HydrophobicContact CG1-CG1 4.1Å
146L94.4Very high84.6Confident0 Ų060.9 Ų60.90%031%0.306CS..EExtended strand (participates in β ladder)trans-93.6124.8172.1164.657.7000109.6W119 H121 L126 V148 A162 Y163 F180W119-L146 HydrophobicContact CD2-CD1 3.9Å; W119-L146 HydrophobicContact CE3-CD1 3.86Å; W119-L146 HydrophobicContact CH2-CD1 3.72Å; W119-L146 HydrophobicContact CH2-CD2 4.21Å; W119-L146 HydrophobicContact CZ2-CB 4.28Å; W119-L146 HydrophobicContact CZ2-CD1 3.72Å; W119-L146 HydrophobicContact CZ2-CD2 3.99Å; W119-L146 HydrophobicContact CZ2-CG 4.2Å; W119-L146 HydrophobicContact CZ3-CD1 3.78Å; W119-L146 WeakPolarHBondContact O-CA 2.98Å; H121-L146 WeakPolarHBondContact CD2-CD1 3.35Å; L126-L146 HydrophobicContact CD2-CD2 3.6Å; L146-V148 HydrophobicContact CD1-CG2 4.34Å; L146-V148 HydrophobicContact CD2-CG2 4.49Å; L146-V148 HydrophobicContact CG-CG2 4.3Å; L146-A162 CarbonylContact O-C 3.58Å; L146-A162 WeakPolarHBondContact O-CA 3.24Å; L146-Y163 HydrophobicContact CD2-CD2 4.44Å; L146-Y163 HydrophobicContact CG-CD2 4.38Å; L146-Y163 PolarHBondContact N-O 3.03Å; L146-Y163 PolarHBondContact O-N 3.39Å; L146-F180 HydrophobicContact CB-CE1 4.3Å; L146-F180 HydrophobicContact CD2-CD1 4.14Å; L146-F180 HydrophobicContact CD2-CE1 3.93Å; L146-F180 HydrophobicContact CD2-CE2 4.31Å; L146-F180 HydrophobicContact CD2-CG 4.43Å; L146-F180 HydrophobicContact CD2-CZ 4.02Å
147I94Very high83.8Confident2 Ų262.6 Ų62.61%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-112.9120.8171.5-57.4-173.8000110.3V33 V35 L63 V75 W119 Y120 H121 V145 V149 L160 A162V33-I147 HydrophobicContact CG1-CD1 3.84Å; V35-I147 HydrophobicContact CG2-CD1 3.67Å; L63-I147 HydrophobicContact CD1-CB 3.89Å; L63-I147 HydrophobicContact CD1-CD1 3.46Å; L63-I147 VanDerWaalsContact CD1-CD1 3.46Å; L63-I147 HydrophobicContact CD1-CG1 3.54Å; V75-I147 HydrophobicContact CG2-CD1 3.97Å; W119-I147 PolarHBondContact O-N 3.44Å; Y120-I147 WeakPolarHBondContact CA-O 3.28Å; Y120-I147 VanDerWaalsContact CB-O 3.29Å; Y120-I147 WeakPolarHBondContact CB-O 3.39Å; H121-I147 PolarHBondContact N-O 2.88Å; H121-I147 VanDerWaalsContact N-O 3.15Å; V145-I147 HydrophobicContact CG1-CG1 4.1Å; I147-V149 HydrophobicContact CG2-CG2 3.87Å; I147-L160 HydrophobicContact CG2-CD1 3.53Å; I147-A162 HydrophobicContact CG1-CB 4.47Å
148V93Very high83.4Confident3 Ų365 Ų652%0.01835%0.346CS..EExtended strand (participates in β ladder)trans-95.5113.5171.8-172.50000108.3H121 L126 L146 T161 Y163H121-V148 VanDerWaalsContact NE2-CG2 3.32Å; H121-V148 WeakPolarHBondContact NE2-CG2 3.38Å; L126-V148 HydrophobicContact CD2-CG2 3.83Å; L146-V148 HydrophobicContact CD1-CG2 4.34Å; L146-V148 HydrophobicContact CD2-CG2 4.49Å; L146-V148 HydrophobicContact CG-CG2 4.3Å; V148-T161 PolarHBondContact N-O 3.39Å; V148-T161 PolarHBondContact O-N 3.46Å; V148-Y163 HydrophobicContact CB-CE2 4.22Å; V148-Y163 HydrophobicContact CG2-CD2 3.81Å; V148-Y163 HydrophobicContact CG2-CE2 3.59Å
149V90.8Very high83.1Confident6 Ų664.3 Ų64.34%0.03635%0.349CS..EExtended strand (participates in β ladder)trans-102.6122.3175.1-175.60000108.5V43 H121 S122 G123 I147 A151V43-V149 HydrophobicContact CB-CG1 4.45Å; V43-V149 HydrophobicContact CG1-CB 3.94Å; V43-V149 HydrophobicContact CG1-CG1 4.12Å; V43-V149 HydrophobicContact CG1-CG2 4.32Å; V43-V149 HydrophobicContact CG2-CG2 4.34Å; H121-V149 PolarHBondContact O-N 3.29Å; S122-V149 WeakPolarHBondContact CA-O 3.43Å; G123-V149 PolarHBondContact N-O 2.95Å; I147-V149 HydrophobicContact CG2-CG2 3.87Å; V149-A151 PolarHBondContact O-N 3.35Å
150R85Confident83.2Confident71 Ų7156.8 Ų56.827%0.26832%0.316SS..  trans-79.3115175.2-67.9-178.4174.6156.2-1.8109.3K152 M154 P159R150-K152 VanDerWaalsContact C-N 3.27Å; R150-K152 PolarHBondContact O-N 3.18Å; R150-M154 WeakPolarHBondContact CD-SD 3.25Å; R150-M154 PolarHBondContact NH1-SD 3.37Å; R150-P159 PolarHBondContact N-O 2.84Å
151A74.7Confident83.5Confident28 Ų2854.6 Ų54.623%0.23131%0.309CS..SBendtrans-71-22.5179.400000113.2F47 V149F47-A151 HydrophobicContact CD1-CB 3.8Å; F47-A151 HydrophobicContact CD2-CB 4.2Å; F47-A151 HydrophobicContact CE1-CB 4.02Å; F47-A151 HydrophobicContact CE2-CB 4.4Å; F47-A151 HydrophobicContact CG-CB 3.89Å; F47-A151 HydrophobicContact CZ-CB 4.32Å; V149-A151 PolarHBondContact O-N 3.35Å
152K75.9Confident83.9Confident171 Ų17153.5 Ų53.574%0.74330%0.304SS*.SBendtrans-91.7131.1175.5-66.6-178.4-178.3175.80109.7R150 M154R150-K152 VanDerWaalsContact C-N 3.27Å; R150-K152 PolarHBondContact O-N 3.18Å; K152-M154 PolarHBondContact O-N 3.38Å
153P72.4Confident84.4Confident133 Ų13348.2 Ų48.286%0.86427%0.273SS*.PPolyproline II helixtrans-65.2132.5178.527.6-33.5000109.9
154M74.4Confident84.7Confident89 Ų8945.3 Ų45.344%0.43825%0.254SS..PPolyproline II helixtrans-100.2148.4170.3-68.8-17766.300109.7R150 K152 V156R150-M154 WeakPolarHBondContact CD-SD 3.25Å; R150-M154 PolarHBondContact NH1-SD 3.37Å; K152-M154 PolarHBondContact O-N 3.38Å; M154-V156 VanDerWaalsContact C-N 3.28Å; M154-V156 PolarHBondContact O-N 3.24Å
155E68.2Low84.5Confident173 Ų17346.3 Ų46.381%0.80826%0.259SS*.SBendtrans-66.8-32.1176.9-67.4-166.6-177.300112.4K224E155-K224 IonicContact OE2-NZ 3.73Å
156V75.6Confident84.1Confident16 Ų1648 Ų4810%0.09727%0.267CS..SBendtrans-144.5141.2-173.6-170.70000110.4M154 V221 K224 L228M154-V156 VanDerWaalsContact C-N 3.28Å; M154-V156 PolarHBondContact O-N 3.24Å; V156-V221 HydrophobicContact CG1-CG1 4.06Å; V156-K224 HydrophobicContact CG2-CB 3.81Å; V156-K224 HydrophobicContact CG2-CD 4.15Å; V156-L228 HydrophobicContact CB-CD1 4.01Å; V156-L228 HydrophobicContact CG2-CD1 4.46Å
157G75Confident83.6Confident63 Ų6353.5 Ų53.565%0.64929%0.293SS*.SBendtrans108.3167.917800000113.3
158S79.2Confident82.6Confident57 Ų5757.8 Ų57.840%0.39931%0.312SS..  trans-72.7131.2170.5176.10000108.9L160S158-L160 PolarHBondContact O-N 2.94Å; S158-L160 VanDerWaalsContact O-N 3.17Å; S158-L160 PolarHBondContact OG-N 3.3Å; S158-L160 PolarHBondContact OG-O 2.86Å
159P84.1Confident81.8Confident56 Ų5663 Ų6336%0.36434%0.344SS..SBendtrans-70.1-6.4173.231.5-35.9000112.7M40 R150M40-P159 HydrophobicContact SD-CG 4.19Å; R150-P159 PolarHBondContact N-O 2.84Å
160L89.5Confident80.7Confident1 Ų165.1 Ų65.11%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-115.5127.9-172.6130.477000108.8V35 I147 S158 S185 V187V35-L160 HydrophobicContact CB-CD2 3.97Å; V35-L160 HydrophobicContact CG2-CD1 3.87Å; V35-L160 HydrophobicContact CG2-CD2 3.83Å; I147-L160 HydrophobicContact CG2-CD1 3.53Å; S158-L160 PolarHBondContact O-N 2.94Å; S158-L160 VanDerWaalsContact O-N 3.17Å; S158-L160 PolarHBondContact OG-N 3.3Å; S158-L160 PolarHBondContact OG-O 2.86Å; L160-S185 PolarHBondContact O-OG 2.89Å; L160-V187 HydrophobicContact CD2-CG2 3.62Å
161T90.5Very high79.9Confident28 Ų2869.8 Ų69.817%0.17238%0.379CS..EExtended strand (participates in β ladder)trans-126.4131.2167.250.20000108.7V148 Y163 L182V148-T161 PolarHBondContact N-O 3.39Å; V148-T161 PolarHBondContact O-N 3.46Å; T161-Y163 WeakPolarHBondContact OG1-CE2 3.39Å; T161-L182 HydrophobicContact CG2-CD1 4.4Å
162A93.1Very high79.6Confident0 Ų075.4 Ų75.40%041%0.405CS..EExtended strand (participates in β ladder)trans-108.1135.7-179.300000109.5V33 L146 I147 L182 R183V33-A162 HydrophobicContact CB-CB 4.01Å; V33-A162 HydrophobicContact CG1-CB 4.37Å; V33-A162 HydrophobicContact CG2-CB 3.85Å; L146-A162 CarbonylContact O-C 3.58Å; L146-A162 WeakPolarHBondContact O-CA 3.24Å; I147-A162 HydrophobicContact CG1-CB 4.47Å; A162-L182 WeakPolarHBondContact O-CA 3.35Å; A162-L182 WeakPolarHBondContact O-CD1 3.29Å; A162-R183 PolarHBondContact O-N 2.92Å
163Y93Very high79.1Confident42 Ų4270.5 Ų70.517%0.16540%0.403CS..EExtended strand (participates in β ladder)trans-126.8150.7-179.3-60.8-84.5000110.7L126 L146 V148 T161 F180 A181 L182L126-Y163 HydrophobicContact CD1-CD1 4.2Å; L126-Y163 HydrophobicContact CD1-CE1 3.92Å; L126-Y163 HydrophobicContact CD1-CE2 4.29Å; L126-Y163 HydrophobicContact CD2-CD2 4.06Å; L126-Y163 HydrophobicContact CD2-CE2 4.06Å; L126-Y163 HydrophobicContact CG-CE2 4.32Å; L146-Y163 HydrophobicContact CD2-CD2 4.44Å; L146-Y163 HydrophobicContact CG-CD2 4.38Å; L146-Y163 PolarHBondContact N-O 3.03Å; L146-Y163 PolarHBondContact O-N 3.39Å; V148-Y163 HydrophobicContact CB-CE2 4.22Å; V148-Y163 HydrophobicContact CG2-CD2 3.81Å; V148-Y163 HydrophobicContact CG2-CE2 3.59Å; T161-Y163 WeakPolarHBondContact OG1-CE2 3.39Å; Y163-F180 HydrophobicContact CD1-CB 4.06Å; Y163-F180 HydrophobicContact CG-CB 4.25Å; Y163-A181 CarbonylContact C-O 3.6Å; Y163-A181 VanDerWaalsContact CA-O 3.24Å; Y163-A181 WeakPolarHBondContact CA-O 3.29Å; Y163-L182 HydrophobicContact CD1-CD1 4.39Å; Y163-L182 HydrophobicContact CE1-CB 4.35Å; Y163-L182 HydrophobicContact CE1-CD1 3.9Å
164I90.8Very high79.2Confident7 Ų766.6 Ų66.64%0.03638%0.379CS..EExtended strand (participates in β ladder)trans-126.4143.7167.4-158.3162.8000109.1P29 V30 M166 F180 A181 R183P29-I164 HydrophobicContact CG-CD1 3.72Å; V30-I164 HydrophobicContact CB-CD1 3.97Å; V30-I164 HydrophobicContact CG2-CD1 3.84Å; I164-M166 HydrophobicContact CG2-CG 4.14Å; I164-M166 PolarHBondContact O-N 2.93Å; I164-F180 WeakPolarHBondContact O-CA 3.34Å; I164-A181 HydrophobicContact CG2-CB 4.32Å; I164-A181 PolarHBondContact N-O 3.29Å; I164-A181 PolarHBondContact O-N 3.47Å; I164-R183 HydrophobicContact CB-CG 4.26Å; I164-R183 HydrophobicContact CG2-CG 3.94Å
165E88.5Confident79.2Confident24 Ų2467.9 Ų67.911%0.11239%0.392CS..EExtended strand (participates in β ladder)trans-71130.6174.8-169.9-171.4141.700109.6N134 K138 K178 T179 F180N134-E165 PolarHBondContact ND2-OE2 3.49Å; K138-E165 WeakPolarHBondContact CE-OE2 3.27Å; K138-E165 IonicContact NZ-OE1 3.74Å; K138-E165 PolarHBondContact NZ-OE1 3.09Å; K138-E165 IonicContact NZ-OE2 2.78Å; K138-E165 PolarHBondContact NZ-OE2 3.08Å; E165-K178 HydrophobicContact CG-CB 4.19Å; E165-K178 HydrophobicContact CG-CG 4.49Å; E165-K178 WeakPolarHBondContact OE1-CD 3.34Å; E165-K178 VanDerWaalsContact OE1-CE 3.3Å; E165-K178 WeakPolarHBondContact OE1-CE 3.48Å; E165-K178 VanDerWaalsContact OE1-CG 3.28Å; E165-K178 WeakPolarHBondContact OE1-CG 3.46Å; E165-K178 IonicContact OE1-NZ 4Å; E165-T179 CarbonylContact C-O 3.49Å; E165-T179 WeakPolarHBondContact CA-O 3.26Å; E165-F180 HydrophobicContact CB-CD1 4.38Å; E165-F180 HydrophobicContact CB-CE1 4.11Å
166M84.6Confident79.7Confident37 Ų3763.3 Ų63.318%0.18238%0.376CS..EExtended strand (participates in β ladder)trans-125.3143172.1-59.1-167.1-32.900109F28 I164 K178 T179 A181 R183F28-M166 HydrophobicContact CD1-SD 3.84Å; F28-M166 HydrophobicContact CE1-CE 4.38Å; F28-M166 HydrophobicContact CE1-CG 4.22Å; F28-M166 HydrophobicContact CE1-SD 3.1Å; F28-M166 WeakPolarHBondContact CE1-SD 3.03Å; F28-M166 HydrophobicContact CZ-CE 4.42Å; F28-M166 HydrophobicContact CZ-SD 3.57Å; F28-M166 VanDerWaalsContact CZ-SD 3.57Å; I164-M166 HydrophobicContact CG2-CG 4.14Å; I164-M166 PolarHBondContact O-N 2.93Å; M166-K178 WeakPolarHBondContact O-CA 3.43Å; M166-T179 PolarHBondContact N-O 3.3Å; M166-T179 PolarHBondContact O-N 3.13Å; M166-T179 VanDerWaalsContact O-O 3.14Å; M166-T179 PolarHBondContact O-OG1 3.24Å; M166-A181 HydrophobicContact CE-CB 3.27Å; M166-A181 HydrophobicContact CG-CB 3.67Å; M166-A181 HydrophobicContact SD-CB 3.23Å; M166-A181 WeakPolarHBondContact SD-CB 3.37Å; M166-R183 PolarHBondContact SD-NH2 3.43Å
167E82.6Confident79.9Confident117 Ų11768.1 Ų68.155%0.54740%0.395SS..EExtended strand (participates in β ladder)trans-92.1105.7169.8-67.7-172.6172.400108K178E167-K178 HydrophobicContact CG-CG 4Å; E167-K178 VanDerWaalsContact OE1-CE 3.26Å; E167-K178 WeakPolarHBondContact OE1-CE 3.47Å
168E74.9Confident80.3Confident91 Ų9168.3 Ų68.343%0.42538%0.378SS..EExtended strand (participates in β ladder)trans-88.8122.6174.1-77.6179.8179.100109.5Q170 K177E168-Q170 PolarHBondContact O-N 3.27Å; E168-K177 PolarHBondContact N-O 2.93Å; E168-K177 PolarHBondContact O-N 2.94Å
169V75Confident80.6Confident113 Ų11367.4 Ų67.469%0.68537%0.371SS*.  trans-78.1111.1167.3-173.60000106.5T176V169-T176 HydrophobicContact CG2-CG2 4.01Å
170Q68.4Low80.8Confident51 Ų5166.5 Ų66.524%0.23836%0.361CS..  trans-64.6137.9172.6-91.9154.498.300109.6E168 D172 G173 S174 K177E168-Q170 PolarHBondContact O-N 3.27Å; Q170-D172 PolarHBondContact O-N 3.03Å; Q170-D172 VanDerWaalsContact O-N 3.12Å; Q170-G173 PolarHBondContact O-N 3.49Å; Q170-G173 VanDerWaalsContact O-N 3.1Å; Q170-S174 VanDerWaalsContact CD-OG 3.26Å; Q170-S174 PolarHBondContact NE2-OG 2.98Å; Q170-S174 PolarHBondContact OE1-OG 3.15Å; Q170-K177 VanDerWaalsContact NE2-CE 3.34Å; Q170-K177 VanDerWaalsContact NE2-CG 3.28Å
171E67.3Low80.7Confident169 Ų16967.1 Ų67.179%0.7937%0.366SS*.THydrogen-bonded Turntrans-58.4-25.3177.7-64.7-176.7156.900112.6G173E171-G173 PolarHBondContact O-N 2.95Å; E171-G173 VanDerWaalsContact O-N 3.13Å
172D67.8Low80.6Confident145 Ų14571 Ų7178%0.77539%0.385SS*.THydrogen-bonded Turntrans-70.7-1.3178.4-62.4-22.8000114.3Q170 S174Q170-D172 PolarHBondContact O-N 3.03Å; Q170-D172 VanDerWaalsContact O-N 3.12Å; D172-S174 PolarHBondContact O-N 3.37Å
173G67.1Low80.5Confident69 Ų6972.1 Ų72.171%0.71139%0.389SS*.  trans70.310.8-17800000114.3Q170 E171Q170-G173 PolarHBondContact O-N 3.49Å; Q170-G173 VanDerWaalsContact O-N 3.1Å; E171-G173 PolarHBondContact O-N 2.95Å; E171-G173 VanDerWaalsContact O-N 3.13Å
174S73.1Confident80.4Confident50 Ų5074.1 Ų74.135%0.3541%0.408SS..PPolyproline II helixtrans-70.5165.5172.870.90000111.3Q170 D172 T176Q170-S174 VanDerWaalsContact CD-OG 3.26Å; Q170-S174 PolarHBondContact NE2-OG 2.98Å; Q170-S174 PolarHBondContact OE1-OG 3.15Å; D172-S174 PolarHBondContact O-N 3.37Å; S174-T176 PolarHBondContact O-N 2.85Å
175T75.3Confident80.4Confident117 Ų11775.5 Ų75.572%0.71842%0.418SS*.PPolyproline II helixtrans-51.3140.7179.350.60000111.5K177T175-K177 PolarHBondContact O-N 3.38Å
176T77.7Confident80.5Confident77 Ų7778.5 Ų78.547%0.47243%0.431SS..PPolyproline II helixtrans-51.4127.6174.8460000110.1V169 S174V169-T176 HydrophobicContact CG2-CG2 4.01Å; S174-T176 PolarHBondContact O-N 2.85Å
177K80.6Confident80.8Confident116 Ų11679.3 Ų79.350%0.50444%0.438SS..EExtended strand (participates in β ladder)trans-101.3132.5173.2-79.9-178.2-168.5152.40108.2E168 Q170 T175 T179E168-K177 PolarHBondContact N-O 2.93Å; E168-K177 PolarHBondContact O-N 2.94Å; Q170-K177 VanDerWaalsContact NE2-CE 3.34Å; Q170-K177 VanDerWaalsContact NE2-CG 3.28Å; T175-K177 PolarHBondContact O-N 3.38Å; K177-T179 HydrophobicContact CB-CG2 4.42Å; K177-T179 PolarHBondContact O-N 3.03Å
178K83.9Confident81.2Confident67 Ų6776.9 Ų76.929%0.29143%0.426SS..EExtended strand (participates in β ladder)trans-77.5114.9170.3-70.9169.4169.1-165.60108V131 E135 E165 M166 E167V131-K178 HydrophobicContact CG1-CB 3.88Å; V131-K178 HydrophobicContact CG1-CD 4.24Å; E135-K178 VanDerWaalsContact OE1-CD 3.32Å; E135-K178 WeakPolarHBondContact OE1-CD 3.43Å; E135-K178 WeakPolarHBondContact OE1-CE 3.21Å; E135-K178 IonicContact OE1-NZ 3.33Å; E135-K178 PolarHBondContact OE1-NZ 2.91Å; E165-K178 HydrophobicContact CG-CB 4.19Å; E165-K178 HydrophobicContact CG-CG 4.49Å; E165-K178 WeakPolarHBondContact OE1-CD 3.34Å; E165-K178 VanDerWaalsContact OE1-CE 3.3Å; E165-K178 WeakPolarHBondContact OE1-CE 3.48Å; E165-K178 VanDerWaalsContact OE1-CG 3.28Å; E165-K178 WeakPolarHBondContact OE1-CG 3.46Å; E165-K178 IonicContact OE1-NZ 4Å; M166-K178 WeakPolarHBondContact O-CA 3.43Å; E167-K178 HydrophobicContact CG-CG 4Å; E167-K178 VanDerWaalsContact OE1-CE 3.26Å; E167-K178 WeakPolarHBondContact OE1-CE 3.47Å
179T84.4Confident81.8Confident39 Ų3975 Ų7524%0.23942%0.423CS..EExtended strand (participates in β ladder)trans-118.5160.7178.661.80000109.4E165 M166 K177E165-T179 CarbonylContact C-O 3.49Å; E165-T179 WeakPolarHBondContact CA-O 3.26Å; M166-T179 PolarHBondContact N-O 3.3Å; M166-T179 PolarHBondContact O-N 3.13Å; M166-T179 VanDerWaalsContact O-O 3.14Å; M166-T179 PolarHBondContact O-OG1 3.24Å; K177-T179 HydrophobicContact CB-CG2 4.42Å; K177-T179 PolarHBondContact O-N 3.03Å
180F89Confident82.5Confident37 Ų3775.2 Ų75.216%0.16242%0.417CS..EExtended strand (participates in β ladder)trans-102.8125.4175.3-77.7-68.8000109.5L126 D130 V131 N134 L146 Y163 I164 E165L126-F180 HydrophobicContact CD1-CB 4.17Å; D130-F180 HydrophobicContact CB-CE2 3.79Å; D130-F180 HydrophobicContact CB-CZ 4.27Å; V131-F180 HydrophobicContact CG2-CE2 3.88Å; N134-F180 HydrophobicContact CB-CE1 4.44Å; N134-F180 HydrophobicContact CB-CZ 4.01Å; L146-F180 HydrophobicContact CB-CE1 4.3Å; L146-F180 HydrophobicContact CD2-CD1 4.14Å; L146-F180 HydrophobicContact CD2-CE1 3.93Å; L146-F180 HydrophobicContact CD2-CE2 4.31Å; L146-F180 HydrophobicContact CD2-CG 4.43Å; L146-F180 HydrophobicContact CD2-CZ 4.02Å; Y163-F180 HydrophobicContact CD1-CB 4.06Å; Y163-F180 HydrophobicContact CG-CB 4.25Å; I164-F180 WeakPolarHBondContact O-CA 3.34Å; E165-F180 HydrophobicContact CB-CD1 4.38Å; E165-F180 HydrophobicContact CB-CE1 4.11Å
181A87.3Confident83.5Confident14 Ų1480.2 Ų80.212%0.11644%0.44CS..EExtended strand (participates in β ladder)trans-103.6134.1177.900000110.7Y163 I164 M166Y163-A181 CarbonylContact C-O 3.6Å; Y163-A181 VanDerWaalsContact CA-O 3.24Å; Y163-A181 WeakPolarHBondContact CA-O 3.29Å; I164-A181 HydrophobicContact CG2-CB 4.32Å; I164-A181 PolarHBondContact N-O 3.29Å; I164-A181 PolarHBondContact O-N 3.47Å; M166-A181 HydrophobicContact CE-CB 3.27Å; M166-A181 HydrophobicContact CG-CB 3.67Å; M166-A181 HydrophobicContact SD-CB 3.23Å; M166-A181 WeakPolarHBondContact SD-CB 3.37Å
182L88.7Confident84.6Confident110 Ų11075.6 Ų75.658%0.57643%0.431SS*.EExtended strand (participates in β ladder)trans-66.4135.8177.8-17371.9000110.4T161 A162 Y163T161-L182 HydrophobicContact CG2-CD1 4.4Å; A162-L182 WeakPolarHBondContact O-CA 3.35Å; A162-L182 WeakPolarHBondContact O-CD1 3.29Å; Y163-L182 HydrophobicContact CD1-CD1 4.39Å; Y163-L182 HydrophobicContact CE1-CB 4.35Å; Y163-L182 HydrophobicContact CE1-CD1 3.9Å
183R90.6Very high85.7Confident22 Ų2270.3 Ų70.38%0.08340%0.402CS..EExtended strand (participates in β ladder)trans-117.1144.1171.6-66.1-67.5156.8-160.2-5.9111.1D26 F28 A162 I164 M166 S185D26-R183 IonicContact OD2-NH1 2.73Å; D26-R183 PolarHBondContact OD2-NH1 2.95Å; F28-R183 VanDerWaalsContact CG-CZ 3.4Å; A162-R183 PolarHBondContact O-N 2.92Å; I164-R183 HydrophobicContact CB-CG 4.26Å; I164-R183 HydrophobicContact CG2-CG 3.94Å; M166-R183 PolarHBondContact SD-NH2 3.43Å; R183-S185 PolarHBondContact O-N 2.73Å; R183-S185 VanDerWaalsContact O-N 3.14Å
184P91Very high86.7Confident84 Ų8472.6 Ų72.655%0.54539%0.394SS..  trans-56.2121.2175.7-24.133.4000111.1R32 V33R32-P184 HydrophobicContact CG-CB 4.47Å; R32-P184 WeakPolarHBondContact CG-O 3.17Å; V33-P184 PolarHBondContact N-O 3.47Å
185S90.7Very high87.5Confident37 Ų3775.3 Ų75.326%0.25940%0.403SS..EExtended strand (participates in β ladder)trans-110.814317760.10000110.7V33 L160 R183V33-S185 CarbonylContact O-C 3.57Å; V33-S185 WeakPolarHBondContact O-CA 3.4Å; L160-S185 PolarHBondContact O-OG 2.89Å; R183-S185 PolarHBondContact O-N 2.73Å; R183-S185 VanDerWaalsContact O-N 3.14Å
186K90.6Very high88.2Confident87 Ų8771.3 Ų71.338%0.37839%0.386SS..EExtended strand (participates in β ladder)trans-136.5141.7171.2-175.9173168.5-156.60109.9V33 I34 V35 E188V33-K186 PolarHBondContact O-N 3.29Å; I34-K186 CarbonylContact C-O 3.58Å; I34-K186 WeakPolarHBondContact CA-O 3.26Å; V35-K186 PolarHBondContact N-O 2.92Å; K186-E188 HydrophobicContact CD-CG 3.93Å; K186-E188 VanDerWaalsContact CD-OE1 3.31Å; K186-E188 WeakPolarHBondContact CD-OE1 3.5Å; K186-E188 WeakPolarHBondContact CE-OE1 3.48Å; K186-E188 HydrophobicContact CG-CG 3.91Å; K186-E188 IonicContact NZ-OE1 3.86Å; K186-E188 PolarHBondContact NZ-OE1 2.97Å
187V91.4Very high88.8Confident54 Ų5470 Ų7033%0.32738%0.377SS..EExtended strand (participates in β ladder)trans-88.1121.4167.8-177.30000108V35 P37 M40 L160V35-V187 VanDerWaalsContact O-CA 3.29Å; V35-V187 WeakPolarHBondContact O-CA 3.21Å; P37-V187 HydrophobicContact CG-CG1 3.9Å; M40-V187 HydrophobicContact CE-CB 4.31Å; M40-V187 HydrophobicContact CE-CG1 3.5Å; M40-V187 VanDerWaalsContact CE-CG1 3.5Å; M40-V187 HydrophobicContact CE-CG2 3.8Å; M40-V187 HydrophobicContact SD-CG2 4.01Å; L160-V187 HydrophobicContact CD2-CG2 3.62Å
188E90.4Very high89.1Confident65 Ų6568.3 Ų68.330%0.30437%0.371SS..  trans-129.4141.9172.6-60.1-170.6161.800109I34 V35 H36 P37 K186I34-E188 HydrophobicContact CG2-CB 3.62Å; I34-E188 HydrophobicContact CG2-CG 3.82Å; V35-E188 PolarHBondContact O-N 3.38Å; H36-E188 WeakPolarHBondContact CA-O 3.35Å; P37-E188 VanDerWaalsContact CD-O 3.29Å; P37-E188 WeakPolarHBondContact CD-O 3.5Å; K186-E188 HydrophobicContact CD-CG 3.93Å; K186-E188 VanDerWaalsContact CD-OE1 3.31Å; K186-E188 WeakPolarHBondContact CD-OE1 3.5Å; K186-E188 WeakPolarHBondContact CE-OE1 3.48Å; K186-E188 HydrophobicContact CG-CG 3.91Å; K186-E188 IonicContact NZ-OE1 3.86Å; K186-E188 PolarHBondContact NZ-OE1 2.97Å
189S88.3Confident89.3Confident51 Ų5170.3 Ų70.336%0.35738%0.381SS..  trans-103.9144.1179.3-48.90000109.8P37P37-S189 VanDerWaalsContact CG-OG 3.26Å; P37-S189 WeakPolarHBondContact CG-OG 3.3Å
190E89.1Confident89.5Confident119 Ų11974.4 Ų74.456%0.55640%0.401SS*.  trans-71.8155.7161.2-170.7169.5-17900110.2A192 E193 E194E190-A192 PolarHBondContact O-N 2.98Å; E190-A192 VanDerWaalsContact O-N 3.16Å; E190-E193 HydrophobicContact CB-CG 4.47Å; E190-E193 CarbonylContact O-C 3.53Å; E190-E193 WeakPolarHBondContact O-CA 3.39Å; E190-E193 WeakPolarHBondContact O-CB 3.32Å; E190-E193 PolarHBondContact O-N 3.25Å; E190-E194 PolarHBondContact O-N 3.33Å
191E89.9Confident89.4Confident155 Ų15576.2 Ų76.272%0.72441%0.412SS*.Hα-helixtrans-52.9-40.7-178-174.3179.2-179.600112.5E194 I195E191-E194 PolarHBondContact O-N 3.47Å; E191-I195 WeakPolarHBondContact O-CG1 3.42Å; E191-I195 PolarHBondContact O-N 3.04Å
192A90.4Very high89.2Confident73 Ų7382.4 Ų82.460%0.60343%0.432SS*.Hα-helixtrans-66.2-39.7176.100000112.6E190 G196E190-A192 PolarHBondContact O-N 2.98Å; E190-A192 VanDerWaalsContact O-N 3.16Å; A192-G196 PolarHBondContact O-N 3.3Å
193E90.1Very high88.8Confident34 Ų3484.9 Ų84.916%0.15945%0.446CS..Hα-helixtrans-70.2-36.9175.8-71.1-171.4-151.400111.6H36 P37 L38 E190 I195 G196 V197H36-E193 IonicContact CE1-OE1 2.96Å; H36-E193 IonicContact CG-OE1 3.85Å; H36-E193 IonicContact ND1-OE1 2.67Å; H36-E193 PolarHBondContact ND1-OE1 2.97Å; H36-E193 IonicContact ND1-OE2 2.7Å; P37-E193 VanDerWaalsContact CD-OE2 3.3Å; P37-E193 WeakPolarHBondContact CD-OE2 3.45Å; L38-E193 PolarHBondContact N-OE2 2.94Å; E190-E193 HydrophobicContact CB-CG 4.47Å; E190-E193 CarbonylContact O-C 3.53Å; E190-E193 WeakPolarHBondContact O-CA 3.39Å; E190-E193 WeakPolarHBondContact O-CB 3.32Å; E190-E193 PolarHBondContact O-N 3.25Å; E193-I195 VanDerWaalsContact C-N 3.35Å; E193-I195 PolarHBondContact O-N 3.36Å; E193-G196 WeakPolarHBondContact O-CA 3.48Å; E193-G196 PolarHBondContact O-N 3.42Å; E193-G196 VanDerWaalsContact O-N 3.11Å; E193-V197 VanDerWaalsContact O-CG2 3.32Å; E193-V197 WeakPolarHBondContact O-CG2 3.31Å; E193-V197 PolarHBondContact O-N 2.94Å
194E88Confident88.1Confident117 Ų11789.3 Ų89.355%0.54748%0.475SS..Hα-helixtrans-59.3-46.5178.8-173.4173.2-172.200110.9E190 E191 G196 V197 E198E190-E194 PolarHBondContact O-N 3.33Å; E191-E194 PolarHBondContact O-N 3.47Å; E194-G196 VanDerWaalsContact C-N 3.29Å; E194-G196 PolarHBondContact O-N 3.33Å; E194-V197 PolarHBondContact O-N 2.89Å; E194-E198 WeakPolarHBondContact O-CB 3.4Å; E194-E198 PolarHBondContact O-N 3.36Å
195I90.6Very high86.9Confident106 Ų10691.5 Ų91.554%0.54448%0.476SS..Hα-helixtrans-60.2-41.9175.5-63.4166.1000110.9E191 E193 H199E191-I195 WeakPolarHBondContact O-CG1 3.42Å; E191-I195 PolarHBondContact O-N 3.04Å; E193-I195 VanDerWaalsContact C-N 3.35Å; E193-I195 PolarHBondContact O-N 3.36Å; I195-H199 WeakPolarHBondContact O-CB 3.45Å; I195-H199 PolarHBondContact O-N 2.88Å
196G89.6Confident85.6Confident34 Ų3496.1 Ų96.135%0.35150%0.498SS..Hα-helixtrans-62.7-48.9177.400000112.5A192 E193 E194 H199 L200A192-G196 PolarHBondContact O-N 3.3Å; E193-G196 WeakPolarHBondContact O-CA 3.48Å; E193-G196 PolarHBondContact O-N 3.42Å; E193-G196 VanDerWaalsContact O-N 3.11Å; E194-G196 VanDerWaalsContact C-N 3.29Å; E194-G196 PolarHBondContact O-N 3.33Å; G196-H199 WeakPolarHBondContact O-CB 3.46Å; G196-H199 PolarHBondContact O-N 2.97Å; G196-L200 WeakPolarHBondContact O-CG 3.41Å; G196-L200 PolarHBondContact O-N 3.38Å
197V89.3Confident84.2Confident48 Ų4898.1 Ų98.129%0.29150%0.503SS..Hα-helixtrans-64.3-43.4177.8173.50000110.8P37 E193 E194 H199 L200 L201P37-V197 HydrophobicContact CB-CG2 4.09Å; P37-V197 HydrophobicContact CG-CG2 4.37Å; E193-V197 VanDerWaalsContact O-CG2 3.32Å; E193-V197 WeakPolarHBondContact O-CG2 3.31Å; E193-V197 PolarHBondContact O-N 2.94Å; E194-V197 PolarHBondContact O-N 2.89Å; V197-H199 PolarHBondContact O-N 3.49Å; V197-L200 PolarHBondContact O-N 3.13Å; V197-L201 HydrophobicContact CG1-CD1 3.65Å; V197-L201 HydrophobicContact CG1-CG 4.22Å; V197-L201 WeakPolarHBondContact O-CB 3.32Å; V197-L201 VanDerWaalsContact O-CG 3.3Å; V197-L201 WeakPolarHBondContact O-CG 3.45Å; V197-L201 PolarHBondContact O-N 2.68Å
198E87.1Confident82.6Confident82 Ų82102.3 Ų102.338%0.38353%0.529SS..Hα-helixtrans-63.7-32.5178.7-158.8-150140.500112.2E194 R202 R207E194-E198 WeakPolarHBondContact O-CB 3.4Å; E194-E198 PolarHBondContact O-N 3.36Å; E198-R202 WeakPolarHBondContact O-CG 3.44Å; E198-R207 PolarHBondContact O-NH2 3.13Å; E198-R207 VanDerWaalsContact O-NH2 3.13Å; E198-R207 IonicContact OE1-CZ 3.68Å; E198-R207 IonicContact OE1-NH1 2.62Å; E198-R207 PolarHBondContact OE1-NH1 3.26Å; E198-R207 IonicContact OE1-NH2 3.43Å; E198-R207 PolarHBondContact OE1-NH2 3.22Å
199H89.7Confident81.3Confident108 Ų108102 Ų10250%0.553%0.533SS..Hα-helixtrans-70.1-46.4173.4-17279.6000111.9I195 G196 V197 L201 R202I195-H199 WeakPolarHBondContact O-CB 3.45Å; I195-H199 PolarHBondContact O-N 2.88Å; G196-H199 WeakPolarHBondContact O-CB 3.46Å; G196-H199 PolarHBondContact O-N 2.97Å; V197-H199 PolarHBondContact O-N 3.49Å; H199-L201 VanDerWaalsContact C-N 3.26Å; H199-L201 PolarHBondContact O-N 2.99Å; H199-R202 VanDerWaalsContact ND1-CZ 3.34Å; H199-R202 WeakPolarHBondContact O-CG 3.1Å; H199-R202 PolarHBondContact O-N 3.43Å
200L88Confident80.6Confident126 Ų126101.7 Ų101.766%0.6654%0.538SS*.Hα-helixtrans-64.1-31.3177.9-68.2172.4000112.6G196 V197 R202G196-L200 WeakPolarHBondContact O-CG 3.41Å; G196-L200 PolarHBondContact O-N 3.38Å; V197-L200 PolarHBondContact O-N 3.13Å; L200-R202 VanDerWaalsContact C-N 3.35Å; L200-R202 PolarHBondContact O-N 3.31Å
201L87.2Confident80.4Confident75 Ų75102 Ų10239%0.39355%0.549SS..G310 helixtrans-87.67.2-178.9-67.5177.7000114.4V197 H199 D203 V204 K205V197-L201 HydrophobicContact CG1-CD1 3.65Å; V197-L201 HydrophobicContact CG1-CG 4.22Å; V197-L201 WeakPolarHBondContact O-CB 3.32Å; V197-L201 VanDerWaalsContact O-CG 3.3Å; V197-L201 WeakPolarHBondContact O-CG 3.45Å; V197-L201 PolarHBondContact O-N 2.68Å; H199-L201 VanDerWaalsContact C-N 3.26Å; H199-L201 PolarHBondContact O-N 2.99Å; L201-D203 PolarHBondContact O-N 2.66Å; L201-V204 HydrophobicContact CD2-CB 4.45Å; L201-V204 PolarHBondContact O-N 2.67Å; L201-K205 HydrophobicContact CB-CB 4.48Å; L201-K205 WeakPolarHBondContact O-CB 3.23Å; L201-K205 PolarHBondContact O-N 2.7Å
202R83Confident80.1Confident144 Ų144100.9 Ų100.954%0.54355%0.547SS..G310 helixtrans-58.6-32.6-180-76177.8179.2-168.21.8113.5E198 H199 L200E198-R202 WeakPolarHBondContact O-CG 3.44Å; H199-R202 VanDerWaalsContact ND1-CZ 3.34Å; H199-R202 WeakPolarHBondContact O-CG 3.1Å; H199-R202 PolarHBondContact O-N 3.43Å; L200-R202 VanDerWaalsContact C-N 3.35Å; L200-R202 PolarHBondContact O-N 3.31Å
203D80Confident79.9Confident162 Ų16299.5 Ų99.587%0.86654%0.535SS*.G310 helixtrans-85.4-17.4-177.7-63.6-17000113.1L201L201-D203 PolarHBondContact O-N 2.66Å
204V76.1Confident79.7Confident114 Ų114102.2 Ų102.269%0.69155%0.548SS*.THydrogen-bonded Turntrans-106.5-36.7-174.7-178.40000111.9L201 D206L201-V204 HydrophobicContact CD2-CB 4.45Å; L201-V204 PolarHBondContact O-N 2.67Å; V204-D206 PolarHBondContact O-N 3.13Å
205K65.8Low79.7Confident131 Ų13199.3 Ų99.357%0.5754%0.541SS*.  trans-83.2108.2-176.8-169.3172.3-177177.80109.1L201 R207L201-K205 HydrophobicContact CB-CB 4.48Å; L201-K205 WeakPolarHBondContact O-CB 3.23Å; L201-K205 PolarHBondContact O-N 2.7Å; K205-R207 HydrophobicContact CG-CG 4.35Å; K205-R207 PolarHBondContact O-N 3.46Å
206D62.6Low79.7Confident134 Ų13498.3 Ų98.372%0.71754%0.539SS*.  trans-61.682.5160.8-80.3-28.7000109V204 V208 S209V204-D206 PolarHBondContact O-N 3.13Å; D206-V208 PolarHBondContact O-N 3.39Å; D206-S209 PolarHBondContact O-N 3.45Å; D206-S209 VanDerWaalsContact O-N 3.08Å; D206-S209 PolarHBondContact O-OG 2.71Å
207R61.4Low79.6Confident129 Ų129100 Ų10049%0.48754%0.543SS..THydrogen-bonded Turntrans-58.4-7.8177.5-70.8-175-173.4-147.7-1.2112.9E198 K205E198-R207 PolarHBondContact O-NH2 3.13Å; E198-R207 VanDerWaalsContact O-NH2 3.13Å; E198-R207 IonicContact OE1-CZ 3.68Å; E198-R207 IonicContact OE1-NH1 2.62Å; E198-R207 PolarHBondContact OE1-NH1 3.26Å; E198-R207 IonicContact OE1-NH2 3.43Å; E198-R207 PolarHBondContact OE1-NH2 3.22Å; K205-R207 HydrophobicContact CG-CG 4.35Å; K205-R207 PolarHBondContact O-N 3.46Å
208V58.9Low79.6Confident142 Ų142102.1 Ų102.186%0.86155%0.553SS**THydrogen-bonded Turntrans-103.311.6-177.6-160.30000112.2D206 G210D206-V208 PolarHBondContact O-N 3.39Å; V208-G210 PolarHBondContact O-N 3.06Å; V208-G210 VanDerWaalsContact O-N 3.09Å
209S62.9Low79.8Confident57 Ų57107.5 Ų107.540%0.39957%0.57SS.*  trans-69.4110.5170.7-71.30000109.8D206D206-S209 PolarHBondContact O-N 3.45Å; D206-S209 VanDerWaalsContact O-N 3.08Å; D206-S209 PolarHBondContact O-OG 2.71Å
210G73.2Confident79.9Confident45 Ų45107.8 Ų107.846%0.46457%0.573SS.*  trans-56.8158.7172.300000111.6V208 L212 A213 Q214V208-G210 PolarHBondContact O-N 3.06Å; V208-G210 VanDerWaalsContact O-N 3.09Å; G210-L212 PolarHBondContact O-N 2.87Å; G210-A213 PolarHBondContact O-N 3.17Å; G210-Q214 PolarHBondContact O-N 3.28Å
211T83.6Confident79.9Confident126 Ų126104.9 Ų104.977%0.77356%0.56SS**Hα-helixtrans-52.3-33.8-178.554.20000113.4S215T211-S215 WeakPolarHBondContact O-CB 3.3Å; T211-S215 PolarHBondContact O-N 3.18Å; T211-S215 VanDerWaalsContact O-N 3.07Å; T211-S215 PolarHBondContact O-OG 3.48Å
212L85.3Confident80.1Confident131 Ų131103.5 Ų103.569%0.68656%0.564SS**Hα-helixtrans-66.9-47175.6-179.961.8000112.3G210 Q214 S215 V216G210-L212 PolarHBondContact O-N 2.87Å; L212-Q214 VanDerWaalsContact C-N 3.34Å; L212-Q214 PolarHBondContact O-N 3.18Å; L212-S215 PolarHBondContact O-N 3.23Å; L212-S215 VanDerWaalsContact O-N 3.16Å; L212-V216 HydrophobicContact CD1-CG2 4.24Å; L212-V216 WeakPolarHBondContact O-CG2 3.37Å; L212-V216 PolarHBondContact O-N 3.27Å
213A85.6Confident80.6Confident44 Ų44101.8 Ų101.836%0.36457%0.565SS.*Hα-helixtrans-60.9-45.8-179.700000110.5G210 S215 V216 T217G210-A213 PolarHBondContact O-N 3.17Å; A213-S215 VanDerWaalsContact C-N 3.32Å; A213-S215 PolarHBondContact O-N 2.95Å; A213-V216 PolarHBondContact O-N 2.96Å; A213-T217 PolarHBondContact O-N 3.46Å; A213-T217 PolarHBondContact O-OG1 2.94Å
214Q85.9Confident81.2Confident91 Ų9198.4 Ų98.443%0.42554%0.542SS..Hα-helixtrans-59.9-42.1175.2-170.863.246.400112.2G210 L212 V216 T217 N218G210-Q214 PolarHBondContact O-N 3.28Å; L212-Q214 VanDerWaalsContact C-N 3.34Å; L212-Q214 PolarHBondContact O-N 3.18Å; Q214-V216 PolarHBondContact O-N 3.27Å; Q214-T217 PolarHBondContact O-N 3.33Å; Q214-N218 PolarHBondContact NE2-OD1 3.32Å; Q214-N218 WeakPolarHBondContact O-CB 3.32Å; Q214-N218 PolarHBondContact O-N 2.85Å; Q214-N218 PolarHBondContact O-ND2 2.92Å; Q214-N218 PolarHBondContact O-OD1 2.93Å
215S87.8Confident81.9Confident56 Ų5693.7 Ų93.739%0.39252%0.517SS..Hα-helixtrans-64.8-40.2179.5-60.70000112.2T211 L212 A213 R219T211-S215 WeakPolarHBondContact O-CB 3.3Å; T211-S215 PolarHBondContact O-N 3.18Å; T211-S215 VanDerWaalsContact O-N 3.07Å; T211-S215 PolarHBondContact O-OG 3.48Å; L212-S215 PolarHBondContact O-N 3.23Å; L212-S215 VanDerWaalsContact O-N 3.16Å; A213-S215 VanDerWaalsContact C-N 3.32Å; A213-S215 PolarHBondContact O-N 2.95Å; S215-R219 WeakPolarHBondContact O-CG 3.49Å; S215-R219 PolarHBondContact O-N 3.44Å; S215-R219 VanDerWaalsContact O-N 3.13Å
216V90.6Very high83.1Confident85 Ų8592.4 Ų92.452%0.51552%0.515SS..Hα-helixtrans-66.3-46.1176173.50000110.5L212 A213 Q214 N218 R219 M220L212-V216 HydrophobicContact CD1-CG2 4.24Å; L212-V216 WeakPolarHBondContact O-CG2 3.37Å; L212-V216 PolarHBondContact O-N 3.27Å; A213-V216 PolarHBondContact O-N 2.96Å; Q214-V216 PolarHBondContact O-N 3.27Å; V216-N218 PolarHBondContact O-N 2.79Å; V216-R219 PolarHBondContact O-N 3.02Å; V216-M220 PolarHBondContact O-N 2.84Å
217T88.1Confident84.6Confident71 Ų7189.5 Ų89.544%0.43650%0.502SS..Hα-helixtrans-60.1-44.7176.5-58.70000111.5A213 Q214 R219 M220 V221A213-T217 PolarHBondContact O-N 3.46Å; A213-T217 PolarHBondContact O-OG1 2.94Å; Q214-T217 PolarHBondContact O-N 3.33Å; T217-R219 VanDerWaalsContact C-N 3.32Å; T217-R219 PolarHBondContact O-N 3.32Å; T217-M220 PolarHBondContact O-N 3.25Å; T217-M220 VanDerWaalsContact O-N 3.15Å; T217-V221 HydrophobicContact CG2-CG2 4.2Å; T217-V221 WeakPolarHBondContact O-CG2 3.43Å; T217-V221 PolarHBondContact O-N 2.8Å
218N88.5Confident86Confident92 Ų9286.7 Ų86.749%0.49250%0.496SS..Hα-helixtrans-59.5-41.9177.4-71.4-6.8000112Q214 V216 G222Q214-N218 PolarHBondContact NE2-OD1 3.32Å; Q214-N218 WeakPolarHBondContact O-CB 3.32Å; Q214-N218 PolarHBondContact O-N 2.85Å; Q214-N218 PolarHBondContact O-ND2 2.92Å; Q214-N218 PolarHBondContact O-OD1 2.93Å; V216-N218 PolarHBondContact O-N 2.79Å; N218-G222 PolarHBondContact O-N 3.36Å
219R90.9Very high87.4Confident195 Ų19584.8 Ų84.874%0.73648%0.48SS*.Hα-helixtrans-64.5-43.3174.8-71.1176.1-176.6-163.8-0.1111.8S215 V216 T217 G222 L223S215-R219 WeakPolarHBondContact O-CG 3.49Å; S215-R219 PolarHBondContact O-N 3.44Å; S215-R219 VanDerWaalsContact O-N 3.13Å; V216-R219 PolarHBondContact O-N 3.02Å; T217-R219 VanDerWaalsContact C-N 3.32Å; T217-R219 PolarHBondContact O-N 3.32Å; R219-G222 PolarHBondContact O-N 3.06Å; R219-L223 WeakPolarHBondContact O-CG 3.45Å; R219-L223 PolarHBondContact O-N 2.89Å
220M91.6Very high88.9Confident114 Ų11486.4 Ų86.456%0.56248%0.484SS*.Hα-helixtrans-63.9-45.2178.9-176.6176.118000112.1V216 T217 L223 K224V216-M220 PolarHBondContact O-N 2.84Å; T217-M220 PolarHBondContact O-N 3.25Å; T217-M220 VanDerWaalsContact O-N 3.15Å; M220-L223 PolarHBondContact O-N 2.92Å; M220-K224 WeakPolarHBondContact O-CG 3.24Å; M220-K224 PolarHBondContact O-N 3.27Å
221V89.8Confident89.9Confident65 Ų6589.7 Ų89.739%0.39449%0.487SS..Hα-helixtrans-64.2-41.9176.3174.50000110.7V156 T217 L223 K224 G225V156-V221 HydrophobicContact CG1-CG1 4.06Å; T217-V221 HydrophobicContact CG2-CG2 4.2Å; T217-V221 WeakPolarHBondContact O-CG2 3.43Å; T217-V221 PolarHBondContact O-N 2.8Å; V221-L223 PolarHBondContact O-N 3.16Å; V221-K224 PolarHBondContact O-N 3.26Å; V221-G225 PolarHBondContact O-N 3.4Å
222G91.2Very high90.2Very high46 Ų4688.9 Ų88.947%0.47448%0.475SS..Hα-helixtrans-58.9-45.2174.400000112.9N218 R219 G225 M226N218-G222 PolarHBondContact O-N 3.36Å; R219-G222 PolarHBondContact O-N 3.06Å; G222-G225 PolarHBondContact O-N 3.27Å; G222-M226 PolarHBondContact O-N 3.18Å
223L93.8Very high90.5Very high108 Ų10886 Ų8657%0.56546%0.459SS*.Hα-helixtrans-63.8-44.1176-73.9173.2000112.4R219 M220 V221 G225 M226 V227R219-L223 WeakPolarHBondContact O-CG 3.45Å; R219-L223 PolarHBondContact O-N 2.89Å; M220-L223 PolarHBondContact O-N 2.92Å; V221-L223 PolarHBondContact O-N 3.16Å; L223-G225 VanDerWaalsContact C-N 3.29Å; L223-G225 PolarHBondContact O-N 3.33Å; L223-M226 PolarHBondContact O-N 2.91Å; L223-V227 WeakPolarHBondContact O-CG2 3.35Å; L223-V227 PolarHBondContact O-N 2.78Å
224K92.3Very high90.9Very high90 Ų9087.1 Ų87.139%0.39146%0.462SS..Hα-helixtrans-59.5-41.9174.9-74.8-174.1169.2-165.40111.8E155 V156 M220 V221 M226 V227 L228E155-K224 IonicContact OE2-NZ 3.73Å; V156-K224 HydrophobicContact CG2-CB 3.81Å; V156-K224 HydrophobicContact CG2-CD 4.15Å; M220-K224 WeakPolarHBondContact O-CG 3.24Å; M220-K224 PolarHBondContact O-N 3.27Å; V221-K224 PolarHBondContact O-N 3.26Å; K224-M226 VanDerWaalsContact C-N 3.34Å; K224-V227 PolarHBondContact O-N 3.44Å; K224-L228 PolarHBondContact O-N 3.38Å; K224-L228 VanDerWaalsContact O-N 3.13Å
225G89.9Confident91.3Very high16 Ų1685.2 Ų85.217%0.16546%0.462CS..Hα-helixtrans-62.9-41.8177.200000112.1V221 G222 L223 V227 L228 L229V221-G225 PolarHBondContact O-N 3.4Å; G222-G225 PolarHBondContact O-N 3.27Å; L223-G225 VanDerWaalsContact C-N 3.29Å; L223-G225 PolarHBondContact O-N 3.33Å; G225-V227 VanDerWaalsContact C-N 3.35Å; G225-V227 PolarHBondContact O-N 3.02Å; G225-L228 PolarHBondContact O-N 2.92Å; G225-L229 WeakPolarHBondContact O-CG 3.41Å; G225-L229 PolarHBondContact O-N 3.14Å
226M91.6Very high91.5Very high104 Ų10484.8 Ų84.851%0.51245%0.452SS..Hα-helixtrans-61.9-41.4175.7-167.5-176.585.500112.1G222 L223 K224 L229 L230G222-M226 PolarHBondContact O-N 3.18Å; L223-M226 PolarHBondContact O-N 2.91Å; K224-M226 VanDerWaalsContact C-N 3.34Å; M226-L229 PolarHBondContact O-N 3Å; M226-L230 HydrophobicContact CE-CD1 4.25Å; M226-L230 HydrophobicContact CG-CD1 4.35Å; M226-L230 WeakPolarHBondContact O-CG 3.5Å; M226-L230 PolarHBondContact O-N 2.81Å
227V93.2Very high91.6Very high73 Ų7384.2 Ų84.244%0.44245%0.445SS..Hα-helixtrans-61-46.9176.5172.20000111.1L223 K224 G225 L229 L230 E231L223-V227 WeakPolarHBondContact O-CG2 3.35Å; L223-V227 PolarHBondContact O-N 2.78Å; K224-V227 PolarHBondContact O-N 3.44Å; G225-V227 VanDerWaalsContact C-N 3.35Å; G225-V227 PolarHBondContact O-N 3.02Å; V227-L229 VanDerWaalsContact C-N 3.35Å; V227-L229 PolarHBondContact O-N 3.33Å; V227-L230 PolarHBondContact O-N 3.41Å; V227-E231 HydrophobicContact CG1-CG 4.47Å; V227-E231 WeakPolarHBondContact O-CG 3.34Å; V227-E231 PolarHBondContact O-N 3.33Å
228L90.7Very high91.9Very high69 Ų6987.9 Ų87.936%0.36146%0.455SS..Hα-helixtrans-61.2-42.2178.3-68.9172.9000112.2V156 K224 G225 L230 E231 E232V156-L228 HydrophobicContact CB-CD1 4.01Å; V156-L228 HydrophobicContact CG2-CD1 4.46Å; K224-L228 PolarHBondContact O-N 3.38Å; K224-L228 VanDerWaalsContact O-N 3.13Å; G225-L228 PolarHBondContact O-N 2.92Å; L228-L230 PolarHBondContact O-N 2.93Å; L228-E231 PolarHBondContact O-N 3.3Å; L228-E232 WeakPolarHBondContact O-CG 3.25Å; L228-E232 PolarHBondContact O-N 3.2Å
229L90Very high92.1Very high103 Ų10386 Ų8654%0.53945%0.447SS..Hα-helixtrans-63.6-40.9176.3-70.5171.1000112G225 M226 V227 E232 I233G225-L229 WeakPolarHBondContact O-CG 3.41Å; G225-L229 PolarHBondContact O-N 3.14Å; M226-L229 PolarHBondContact O-N 3Å; V227-L229 VanDerWaalsContact C-N 3.35Å; V227-L229 PolarHBondContact O-N 3.33Å; L229-E232 PolarHBondContact O-N 2.8Å; L229-I233 VanDerWaalsContact O-CG1 3.28Å; L229-I233 WeakPolarHBondContact O-CG1 3.34Å; L229-I233 PolarHBondContact O-N 3.5Å
230L93.1Very high92.2Very high90 Ų9078 Ų7847%0.47142%0.42SS..Hα-helixtrans-65.1-40.2175-71.5173000111.4M226 V227 L228 I233 T234M226-L230 HydrophobicContact CE-CD1 4.25Å; M226-L230 HydrophobicContact CG-CD1 4.35Å; M226-L230 WeakPolarHBondContact O-CG 3.5Å; M226-L230 PolarHBondContact O-N 2.81Å; V227-L230 PolarHBondContact O-N 3.41Å; L228-L230 PolarHBondContact O-N 2.93Å; L230-I233 PolarHBondContact O-N 3.37Å; L230-T234 VanDerWaalsContact O-CG2 3.24Å; L230-T234 WeakPolarHBondContact O-CG2 3.39Å; L230-T234 PolarHBondContact O-N 3.22Å; L230-T234 PolarHBondContact O-OG1 3.02Å
231E94.3Very high92.3Very high114 Ų11476.7 Ų76.753%0.53343%0.427SS..Hα-helixtrans-60.7-45174.1-74.4178.9173.100111.4V227 L228 T234 A235V227-E231 HydrophobicContact CG1-CG 4.47Å; V227-E231 WeakPolarHBondContact O-CG 3.34Å; V227-E231 PolarHBondContact O-N 3.33Å; L228-E231 PolarHBondContact O-N 3.3Å; E231-T234 PolarHBondContact O-N 3.42Å; E231-T234 PolarHBondContact O-OG1 3.32Å; E231-A235 WeakPolarHBondContact O-CB 3.1Å; E231-A235 PolarHBondContact O-N 2.89Å
232E90.3Very high92.4Very high110 Ų11077 Ų7751%0.51443%0.432SS..Hα-helixtrans-60.2-45.3175.2-73.9178.7-178.400112.2L228 L229 T234 A235 Y236L228-E232 WeakPolarHBondContact O-CG 3.25Å; L228-E232 PolarHBondContact O-N 3.2Å; L229-E232 PolarHBondContact O-N 2.8Å; E232-T234 PolarHBondContact O-N 2.99Å; E232-A235 PolarHBondContact O-N 3.17Å; E232-Y236 PolarHBondContact O-N 3.42Å
233I92.4Very high92.3Very high69 Ų6977.8 Ų77.835%0.35444%0.44SS..Hα-helixtrans-61.5-45.2175.9-67.6165.4000110.4L229 L230 A235 Y236 L237 V255L229-I233 VanDerWaalsContact O-CG1 3.28Å; L229-I233 WeakPolarHBondContact O-CG1 3.34Å; L229-I233 PolarHBondContact O-N 3.5Å; L230-I233 PolarHBondContact O-N 3.37Å; I233-A235 VanDerWaalsContact C-N 3.31Å; I233-A235 PolarHBondContact O-N 3.13Å; I233-Y236 PolarHBondContact O-N 2.87Å; I233-L237 HydrophobicContact CG2-CD1 4.06Å; I233-L237 HydrophobicContact CG2-CG 4.44Å; I233-L237 WeakPolarHBondContact O-CG 3.49Å; I233-L237 PolarHBondContact O-N 3.43Å; I233-V255 HydrophobicContact CG2-CG2 4.17Å
234T93.9Very high92.1Very high69 Ų6980 Ų8042%0.42345%0.448SS..Hα-helixtrans-66.1-34.7178.564.70000112.4L230 E231 E232 K238L230-T234 VanDerWaalsContact O-CG2 3.24Å; L230-T234 WeakPolarHBondContact O-CG2 3.39Å; L230-T234 PolarHBondContact O-N 3.22Å; L230-T234 PolarHBondContact O-OG1 3.02Å; E231-T234 PolarHBondContact O-N 3.42Å; E231-T234 PolarHBondContact O-OG1 3.32Å; E232-T234 PolarHBondContact O-N 2.99Å; T234-K238 WeakPolarHBondContact O-CB 3.4Å; T234-K238 VanDerWaalsContact O-CG 3.24Å; T234-K238 WeakPolarHBondContact O-CG 3.39Å; T234-K238 PolarHBondContact O-N 3.45Å
235A93.6Very high91.7Very high51 Ų5180 Ų8042%0.42145%0.452SS..Hα-helixtrans-65.3-45.4175.400000110.8E231 E232 I233 K238 T239E231-A235 WeakPolarHBondContact O-CB 3.1Å; E231-A235 PolarHBondContact O-N 2.89Å; E232-A235 PolarHBondContact O-N 3.17Å; I233-A235 VanDerWaalsContact C-N 3.31Å; I233-A235 PolarHBondContact O-N 3.13Å; A235-K238 PolarHBondContact O-N 2.98Å; A235-T239 WeakPolarHBondContact O-CG2 3.42Å; A235-T239 PolarHBondContact O-N 3.26Å; A235-T239 PolarHBondContact O-OG1 3.04Å
236Y91.8Very high91.4Very high47 Ų4784.4 Ų84.418%0.18448%0.477CS..Hα-helixtrans-59.6-48.5174.4173.6-103.6000112.4E232 I233 K238 T239 V240 L245 N248 V251E232-Y236 PolarHBondContact O-N 3.42Å; I233-Y236 PolarHBondContact O-N 2.87Å; Y236-K238 VanDerWaalsContact C-N 3.27Å; Y236-K238 PolarHBondContact O-N 3.24Å; Y236-T239 PolarHBondContact O-N 3.32Å; Y236-T239 PolarHBondContact O-OG1 2.97Å; Y236-V240 HydrophobicContact CD1-CG2 4.41Å; Y236-V240 HydrophobicContact CD2-CG2 4.17Å; Y236-V240 HydrophobicContact CE1-CG2 3.97Å; Y236-V240 HydrophobicContact CE2-CG2 3.7Å; Y236-V240 VanDerWaalsContact O-CG2 3.32Å; Y236-V240 WeakPolarHBondContact O-CG2 3.29Å; Y236-V240 PolarHBondContact O-N 3.11Å; Y236-L245 HydrophobicContact CD2-CD2 4.33Å; Y236-L245 HydrophobicContact CE2-CD2 3.88Å; Y236-N248 WeakPolarHBondContact OH-CB 3.29Å; Y236-N248 PolarHBondContact OH-N 2.82Å; Y236-N248 VanDerWaalsContact OH-N 3.13Å; Y236-V251 HydrophobicContact CD1-CG1 4.14Å; Y236-V251 HydrophobicContact CE1-CB 4.25Å; Y236-V251 HydrophobicContact CE1-CG1 3.68Å
237L92.6Very high91.1Very high73 Ų7383.4 Ų83.438%0.38248%0.477SS..Hα-helixtrans-64.2-33.8179.7-68.7176.5000112.2I233 A241 V255I233-L237 HydrophobicContact CG2-CD1 4.06Å; I233-L237 HydrophobicContact CG2-CG 4.44Å; I233-L237 WeakPolarHBondContact O-CG 3.49Å; I233-L237 PolarHBondContact O-N 3.43Å; L237-A241 VanDerWaalsContact O-CB 3.25Å; L237-A241 WeakPolarHBondContact O-CB 3.13Å; L237-A241 PolarHBondContact O-N 3.31Å; L237-V255 HydrophobicContact CD1-CG1 4.45Å
238K94.7Very high90.8Very high148 Ų14883.2 Ų83.264%0.64347%0.473SS*.Hα-helixtrans-67.3-42.1174.5-77.8171.6-179172.90112.6T234 A235 Y236 A241 S242T234-K238 WeakPolarHBondContact O-CB 3.4Å; T234-K238 VanDerWaalsContact O-CG 3.24Å; T234-K238 WeakPolarHBondContact O-CG 3.39Å; T234-K238 PolarHBondContact O-N 3.45Å; A235-K238 PolarHBondContact O-N 2.98Å; Y236-K238 VanDerWaalsContact C-N 3.27Å; Y236-K238 PolarHBondContact O-N 3.24Å; K238-A241 PolarHBondContact O-N 3.1Å; K238-S242 PolarHBondContact O-N 2.87Å
239T93.4Very high90.6Very high51 Ų5183.9 Ų83.931%0.31348%0.477SS..Hα-helixtrans-70.9-32178.753.80000112.5A235 Y236 S242 G243 E244A235-T239 WeakPolarHBondContact O-CG2 3.42Å; A235-T239 PolarHBondContact O-N 3.26Å; A235-T239 PolarHBondContact O-OG1 3.04Å; Y236-T239 PolarHBondContact O-N 3.32Å; Y236-T239 PolarHBondContact O-OG1 2.97Å; T239-S242 PolarHBondContact O-OG 2.98Å; T239-G243 PolarHBondContact O-N 3Å; T239-E244 PolarHBondContact O-N 3.29Å
240V92.8Very high90.4Very high27 Ų2782.2 Ų82.216%0.16447%0.474CS..Hα-helixtrans-69.5-40.8170.8174.30000110.8Y236 S242 G243 V247Y236-V240 HydrophobicContact CD1-CG2 4.41Å; Y236-V240 HydrophobicContact CD2-CG2 4.17Å; Y236-V240 HydrophobicContact CE1-CG2 3.97Å; Y236-V240 HydrophobicContact CE2-CG2 3.7Å; Y236-V240 VanDerWaalsContact O-CG2 3.32Å; Y236-V240 WeakPolarHBondContact O-CG2 3.29Å; Y236-V240 PolarHBondContact O-N 3.11Å; V240-S242 VanDerWaalsContact C-N 3.34Å; V240-S242 PolarHBondContact O-N 3.22Å; V240-G243 PolarHBondContact O-N 2.83Å; V240-G243 VanDerWaalsContact O-N 3.11Å; V240-V247 HydrophobicContact CG1-CB 4.3Å; V240-V247 HydrophobicContact CG1-CG2 3.54Å
241A92.1Very high90.1Very high88 Ų8880.6 Ų80.673%0.72747%0.468SS*.Hα-helixtrans-67.2-30.1177.200000113.6L237 K238 G243L237-A241 VanDerWaalsContact O-CB 3.25Å; L237-A241 WeakPolarHBondContact O-CB 3.13Å; L237-A241 PolarHBondContact O-N 3.31Å; K238-A241 PolarHBondContact O-N 3.1Å; A241-G243 VanDerWaalsContact C-N 3.25Å
242S93.9Very high89.9Confident71 Ų7177.1 Ų77.150%0.49746%0.456SS..THydrogen-bonded Turntrans-76-11.7172.765.70000113.6K238 T239 V240K238-S242 PolarHBondContact O-N 2.87Å; T239-S242 PolarHBondContact O-OG 2.98Å; V240-S242 VanDerWaalsContact C-N 3.34Å; V240-S242 PolarHBondContact O-N 3.22Å
243G88.8Confident89.9Confident62 Ų6277.8 Ų77.864%0.63946%0.457SS*.THydrogen-bonded Turntrans79.912.9179.900000114.7T239 V240 A241T239-G243 PolarHBondContact O-N 3Å; V240-G243 PolarHBondContact O-N 2.83Å; V240-G243 VanDerWaalsContact O-N 3.11Å; A241-G243 VanDerWaalsContact C-N 3.25Å
244E89.3Confident89.9Confident155 Ų15580 Ų8072%0.72447%0.466SS*.SBendtrans-74.6-31.1178.2-72.1175.2-160.200112.6T239T239-E244 PolarHBondContact O-N 3.29Å
245L83.5Confident89.8Confident90 Ų9078.4 Ų78.447%0.47146%0.456SS..SBendtrans-121139-177.1-145.483.4000110.9Y236Y236-L245 HydrophobicContact CD2-CD2 4.33Å; Y236-L245 HydrophobicContact CE2-CD2 3.88Å
246P84.3Confident89.8Confident109 Ų10981.3 Ų81.371%0.70846%0.461SS*.  trans-60.8142.1169.724.5-35.2000111.7N248P246-N248 PolarHBondContact O-N 3.23Å
247V85.1Confident89.9Confident83 Ų8385.2 Ų85.250%0.50348%0.48SS..  trans-65.3127.3176.3-176.10000109V240V240-V247 HydrophobicContact CG1-CB 4.3Å; V240-V247 HydrophobicContact CG1-CG2 3.54Å
248N85.3Confident89.9Confident69 Ų6986.3 Ų86.337%0.36949%0.49SS..  trans-94.9105.7166.3-175.2-30.7000108.2Y236 P246 S250 V251 C252Y236-N248 WeakPolarHBondContact OH-CB 3.29Å; Y236-N248 PolarHBondContact OH-N 2.82Å; Y236-N248 VanDerWaalsContact OH-N 3.13Å; P246-N248 PolarHBondContact O-N 3.23Å; N248-S250 VanDerWaalsContact C-N 3.25Å; N248-S250 PolarHBondContact O-N 3.41Å; N248-S250 VanDerWaalsContact OD1-CB 3.31Å; N248-S250 WeakPolarHBondContact OD1-CB 3.44Å; N248-S250 PolarHBondContact OD1-N 2.91Å; N248-V251 HydrophobicContact CB-CB 4.31Å; N248-V251 HydrophobicContact CB-CG2 4.02Å; N248-V251 PolarHBondContact O-N 3.03Å; N248-V251 VanDerWaalsContact O-N 3.13Å; N248-V251 PolarHBondContact OD1-N 3.15Å; N248-C252 PolarHBondContact O-N 3.04Å
249N86.6Confident89.7Confident82 Ų8284.9 Ų84.944%0.43949%0.487SS..Hα-helixtrans-57.3-39.6-176.7-67.2-21.4000111.9V251 C252 F253N249-V251 VanDerWaalsContact C-N 3.34Å; N249-V251 PolarHBondContact O-N 3.34Å; N249-C252 PolarHBondContact O-N 3.25Å; N249-F253 HydrophobicContact CB-CD2 4.35Å; N249-F253 HydrophobicContact CB-CE2 3.93Å; N249-F253 WeakPolarHBondContact O-CD2 3.35Å; N249-F253 WeakPolarHBondContact O-CG 3.43Å; N249-F253 PolarHBondContact O-N 3.11Å
250S86.2Confident89.6Confident68 Ų6888.3 Ų88.348%0.47650%0.503SS..Hα-helixtrans-57.2-47.4177.7-53.70000111.1N248 C252 F253 H254N248-S250 VanDerWaalsContact C-N 3.25Å; N248-S250 PolarHBondContact O-N 3.41Å; N248-S250 VanDerWaalsContact OD1-CB 3.31Å; N248-S250 WeakPolarHBondContact OD1-CB 3.44Å; N248-S250 PolarHBondContact OD1-N 2.91Å; S250-C252 VanDerWaalsContact C-N 3.35Å; S250-C252 PolarHBondContact O-N 3.32Å; S250-F253 PolarHBondContact O-N 3.1Å; S250-H254 PolarHBondContact O-N 3.49Å; S250-H254 VanDerWaalsContact O-N 3.13Å; S250-H254 PolarHBondContact O-ND1 3.36Å
251V87Confident89.6Confident56 Ų5690.7 Ų90.734%0.33953%0.526SS..Hα-helixtrans-63.3-42.7178.9178.70000111Y236 N248 N249 F253 H254 V255Y236-V251 HydrophobicContact CD1-CG1 4.14Å; Y236-V251 HydrophobicContact CE1-CB 4.25Å; Y236-V251 HydrophobicContact CE1-CG1 3.68Å; N248-V251 HydrophobicContact CB-CB 4.31Å; N248-V251 HydrophobicContact CB-CG2 4.02Å; N248-V251 PolarHBondContact O-N 3.03Å; N248-V251 VanDerWaalsContact O-N 3.13Å; N248-V251 PolarHBondContact OD1-N 3.15Å; N249-V251 VanDerWaalsContact C-N 3.34Å; N249-V251 PolarHBondContact O-N 3.34Å; V251-F253 VanDerWaalsContact C-N 3.34Å; V251-F253 PolarHBondContact O-N 3.12Å; V251-H254 PolarHBondContact O-N 2.95Å; V251-V255 HydrophobicContact CG1-CG2 4.38Å; V251-V255 WeakPolarHBondContact O-CG2 3.22Å; V251-V255 PolarHBondContact O-N 3.49Å
252C89.7Confident89.4Confident41 Ų4191.6 Ų91.628%0.27752%0.518SS..Hα-helixtrans-61.3-40.9177.3-69.40000112.5N248 N249 S250 V255 Q256N248-C252 PolarHBondContact O-N 3.04Å; N249-C252 PolarHBondContact O-N 3.25Å; S250-C252 VanDerWaalsContact C-N 3.35Å; S250-C252 PolarHBondContact O-N 3.32Å; C252-V255 PolarHBondContact O-N 2.81Å; C252-Q256 WeakPolarHBondContact O-CB 3.32Å; C252-Q256 PolarHBondContact O-N 2.74Å
253F91.9Very high88.9Confident124 Ų12492.4 Ų92.454%0.54452%0.522SS..Hα-helixtrans-62.2-45.3175.9-70.8-55.6000112.1N249 S250 V251 V255 Q256 E257N249-F253 HydrophobicContact CB-CD2 4.35Å; N249-F253 HydrophobicContact CB-CE2 3.93Å; N249-F253 WeakPolarHBondContact O-CD2 3.35Å; N249-F253 WeakPolarHBondContact O-CG 3.43Å; N249-F253 PolarHBondContact O-N 3.11Å; S250-F253 PolarHBondContact O-N 3.1Å; V251-F253 VanDerWaalsContact C-N 3.34Å; V251-F253 PolarHBondContact O-N 3.12Å; F253-V255 PolarHBondContact O-N 3.39Å; F253-Q256 WeakPolarHBondContact O-CB 3.32Å; F253-Q256 PolarHBondContact O-N 3.01Å; F253-E257 WeakPolarHBondContact O-CB 3.44Å; F253-E257 PolarHBondContact O-N 3.16Å
254H91.3Very high88.6Confident117 Ų11794.5 Ų94.554%0.54252%0.518SS..Hα-helixtrans-63.8-40.9177.2-69.787.9000111.8S250 V251 Q256 E257 V258S250-H254 PolarHBondContact O-N 3.49Å; S250-H254 VanDerWaalsContact O-N 3.13Å; S250-H254 PolarHBondContact O-ND1 3.36Å; V251-H254 PolarHBondContact O-N 2.95Å; H254-Q256 VanDerWaalsContact C-N 3.32Å; H254-Q256 PolarHBondContact O-N 2.84Å; H254-E257 PolarHBondContact O-N 3.13Å; H254-V258 VanDerWaalsContact O-CG2 3.32Å; H254-V258 WeakPolarHBondContact O-CG2 3.26Å; H254-V258 PolarHBondContact O-N 2.94Å
255V92.2Very high88Confident34 Ų3492.1 Ų92.121%0.20651%0.51CS..Hα-helixtrans-63.1-41.3175.7172.60000110.9I233 L237 V251 C252 F253 V258 M259I233-V255 HydrophobicContact CG2-CG2 4.17Å; L237-V255 HydrophobicContact CD1-CG1 4.45Å; V251-V255 HydrophobicContact CG1-CG2 4.38Å; V251-V255 WeakPolarHBondContact O-CG2 3.22Å; V251-V255 PolarHBondContact O-N 3.49Å; C252-V255 PolarHBondContact O-N 2.81Å; F253-V255 PolarHBondContact O-N 3.39Å; V255-V258 PolarHBondContact O-N 3.43Å; V255-M259 WeakPolarHBondContact O-CG 3.47Å; V255-M259 PolarHBondContact O-N 2.9Å
256Q92.5Very high87.8Confident113 Ų11394.9 Ų94.953%0.52853%0.525SS..Hα-helixtrans-63.6-41.6175.8-178.6177.8-1600111.8C252 F253 H254 M259 N260C252-Q256 WeakPolarHBondContact O-CB 3.32Å; C252-Q256 PolarHBondContact O-N 2.74Å; F253-Q256 WeakPolarHBondContact O-CB 3.32Å; F253-Q256 PolarHBondContact O-N 3.01Å; H254-Q256 VanDerWaalsContact C-N 3.32Å; H254-Q256 PolarHBondContact O-N 2.84Å; Q256-M259 PolarHBondContact O-N 2.85Å; Q256-N260 WeakPolarHBondContact O-CB 3.48Å; Q256-N260 VanDerWaalsContact O-CG 3.27Å; Q256-N260 PolarHBondContact O-N 3.1Å; Q256-N260 PolarHBondContact O-ND2 2.89Å
257E94.6Very high87.7Confident128 Ų12890.7 Ų90.760%0.59850%0.5SS*.Hα-helixtrans-60.7-44.9175.1-172.6176.4-172.300111.5F253 H254 M259 N260 A261F253-E257 WeakPolarHBondContact O-CB 3.44Å; F253-E257 PolarHBondContact O-N 3.16Å; H254-E257 PolarHBondContact O-N 3.13Å; E257-M259 VanDerWaalsContact C-N 3.31Å; E257-M259 PolarHBondContact O-N 3.23Å; E257-N260 PolarHBondContact O-N 3.06Å; E257-A261 VanDerWaalsContact O-CB 3.3Å; E257-A261 WeakPolarHBondContact O-CB 3.26Å; E257-A261 PolarHBondContact O-N 2.9Å
258V91.8Very high87.6Confident96 Ų9691.4 Ų91.458%0.58250%0.504SS*.Hα-helixtrans-58.6-43.1175.2170.50000111.3H254 V255 A261 L262H254-V258 VanDerWaalsContact O-CG2 3.32Å; H254-V258 WeakPolarHBondContact O-CG2 3.26Å; H254-V258 PolarHBondContact O-N 2.94Å; V255-V258 PolarHBondContact O-N 3.43Å; V258-A261 PolarHBondContact O-N 3.22Å; V258-L262 PolarHBondContact O-N 3.46Å
259M90.5Very high87.5Confident119 Ų11995.9 Ų95.959%0.58652%0.517SS*.Hα-helixtrans-66.8-37.7177.9-70.5-59.9-60.300112.5V255 Q256 E257 A261 L262V255-M259 WeakPolarHBondContact O-CG 3.47Å; V255-M259 PolarHBondContact O-N 2.9Å; Q256-M259 PolarHBondContact O-N 2.85Å; E257-M259 VanDerWaalsContact C-N 3.31Å; E257-M259 PolarHBondContact O-N 3.23Å; M259-A261 VanDerWaalsContact C-N 3.33Å; M259-L262 HydrophobicContact CE-CD1 3.84Å; M259-L262 WeakPolarHBondContact O-CB 2.99Å; M259-L262 PolarHBondContact O-N 3.21Å; M259-L262 HydrophobicContact SD-CD1 3.93Å
260N92Very high87.4Confident122 Ų12296.7 Ų96.765%0.65251%0.514SS*.Hα-helixtrans-72.3-27.5176.5-71-19000112.7Q256 E257 L262Q256-N260 WeakPolarHBondContact O-CB 3.48Å; Q256-N260 VanDerWaalsContact O-CG 3.27Å; Q256-N260 PolarHBondContact O-N 3.1Å; Q256-N260 PolarHBondContact O-ND2 2.89Å; E257-N260 PolarHBondContact O-N 3.06Å; N260-L262 VanDerWaalsContact C-N 3.27Å; N260-L262 PolarHBondContact O-N 3.05Å
261A92.2Very high87.5Confident78 Ų7898.3 Ų98.365%0.64552%0.517SS*.THydrogen-bonded Turntrans-80.6-3.5178.200000113.5E257 V258 M259E257-A261 VanDerWaalsContact O-CB 3.3Å; E257-A261 WeakPolarHBondContact O-CB 3.26Å; E257-A261 PolarHBondContact O-N 2.9Å; V258-A261 PolarHBondContact O-N 3.22Å; M259-A261 VanDerWaalsContact C-N 3.33Å
262L88Confident87.6Confident107 Ų107102.2 Ų102.256%0.5653%0.532SS*.  trans-63.6125.1176.8-73.7170.6000110.2V258 M259 N260V258-L262 PolarHBondContact O-N 3.46Å; M259-L262 HydrophobicContact CE-CD1 3.84Å; M259-L262 WeakPolarHBondContact O-CB 2.99Å; M259-L262 PolarHBondContact O-N 3.21Å; M259-L262 HydrophobicContact SD-CD1 3.93Å; N260-L262 VanDerWaalsContact C-N 3.27Å; N260-L262 PolarHBondContact O-N 3.05Å
263P84.9Confident87.6Confident88 Ų88102 Ų10257%0.57154%0.537SS*.  trans-71.9136.8-178.828.6-33.6000111L265P263-L265 PolarHBondContact O-N 2.95Å
264D81.8Confident87.5Confident105 Ų105101.4 Ų101.456%0.56153%0.534SS*.  trans-76.4111.5168.7-172.81.1000109.7D266D264-D266 VanDerWaalsContact C-N 3.33Å; D264-D266 PolarHBondContact OD1-N 3.09Å
265L76.5Confident87.5Confident105 Ų10598.8 Ų98.855%0.5553%0.526SS..THydrogen-bonded Turntrans-77.1-18.4-175-68.1170.9000113.2P263 A267 W270P263-L265 PolarHBondContact O-N 2.95Å; L265-A267 VanDerWaalsContact C-N 3.29Å; L265-A267 PolarHBondContact O-N 3.29Å; L265-W270 HydrophobicContact CD2-CH2 4.16Å; L265-W270 HydrophobicContact CD2-CZ2 4.07Å; L265-W270 HydrophobicContact CD2-CZ3 4.41Å
266D79.5Confident87.6Confident148 Ų148100.4 Ų100.479%0.79154%0.539SS*.THydrogen-bonded Turntrans-84.9-6.2-175.5-72.2-24.4000112.8D264 T268D264-D266 VanDerWaalsContact C-N 3.33Å; D264-D266 PolarHBondContact OD1-N 3.09Å; D266-T268 PolarHBondContact O-N 3.49Å
267A81.7Confident87.7Confident21 Ų21101.2 Ų101.217%0.17454%0.543CS..  trans-67.1124-178.800000111.5L265 Y269 W270 L271L265-A267 VanDerWaalsContact C-N 3.29Å; L265-A267 PolarHBondContact O-N 3.29Å; A267-Y269 HydrophobicContact CB-CD1 3.5Å; A267-Y269 HydrophobicContact CB-CE1 3.18Å; A267-Y269 PolarHBondContact O-N 3.28Å; A267-W270 WeakPolarHBondContact O-CB 3.3Å; A267-W270 PolarHBondContact O-N 2.83Å; A267-L271 PolarHBondContact O-N 2.93Å
268T82.6Confident87.8Confident98 Ų9898.9 Ų98.960%0.60154%0.535SS*.Hα-helixtrans-56.9-31.5-173.7-47.30000113.4D266 W270 L271 Q272D266-T268 PolarHBondContact O-N 3.49Å; T268-W270 VanDerWaalsContact C-N 3.31Å; T268-W270 PolarHBondContact O-N 2.91Å; T268-L271 PolarHBondContact O-N 3.15Å; T268-Q272 WeakPolarHBondContact O-CG 3.28Å; T268-Q272 PolarHBondContact O-N 3.2Å; T268-Q272 VanDerWaalsContact O-N 3.12Å
269Y83.8Confident88Confident164 Ų16498.8 Ų98.864%0.64353%0.531SS*.Hα-helixtrans-63.3-38.5176.975.6-97000111.7A267 Q272 G273A267-Y269 HydrophobicContact CB-CD1 3.5Å; A267-Y269 HydrophobicContact CB-CE1 3.18Å; A267-Y269 PolarHBondContact O-N 3.28Å; Y269-Q272 PolarHBondContact O-N 3.42Å; Y269-G273 PolarHBondContact O-N 2.79Å
270W84.4Confident88.2Confident98 Ų9896 Ų9637%0.37152%0.521SS..Hα-helixtrans-68.2-43.2-178.7-171.491.2000110L265 A267 T268 Q272 G273 F274L265-W270 HydrophobicContact CD2-CH2 4.16Å; L265-W270 HydrophobicContact CD2-CZ2 4.07Å; L265-W270 HydrophobicContact CD2-CZ3 4.41Å; A267-W270 WeakPolarHBondContact O-CB 3.3Å; A267-W270 PolarHBondContact O-N 2.83Å; T268-W270 VanDerWaalsContact C-N 3.31Å; T268-W270 PolarHBondContact O-N 2.91Å; W270-Q272 PolarHBondContact O-N 2.96Å; W270-G273 PolarHBondContact O-N 2.92Å; W270-F274 HydrophobicContact CD2-CB 4.49Å; W270-F274 HydrophobicContact CE3-CB 4.17Å; W270-F274 HydrophobicContact CH2-CB 4.24Å; W270-F274 AromaticContact CH2-CD2 3.69Å; W270-F274 HydrophobicContact CH2-CD2 3.69Å; W270-F274 HydrophobicContact CH2-CE2 4.17Å; W270-F274 AromaticContact CH2-CG 3.9Å; W270-F274 HydrophobicContact CH2-CG 3.9Å; W270-F274 HydrophobicContact CZ2-CD2 4.02Å; W270-F274 HydrophobicContact CZ2-CG 4.47Å; W270-F274 HydrophobicContact CZ3-CB 4.04Å; W270-F274 HydrophobicContact CZ3-CD1 4.42Å; W270-F274 HydrophobicContact CZ3-CD2 4.26Å; W270-F274 AromaticContact CZ3-CG 3.98Å; W270-F274 HydrophobicContact CZ3-CG 3.98Å; W270-F274 WeakPolarHBondContact O-CB 3.41Å; W270-F274 PolarHBondContact O-N 3.43Å
271L87.7Confident88.4Confident103 Ų10396.7 Ų96.754%0.53952%0.521SS..Hα-helixtrans-62.5-41.9177.2-174.863.7000112.6A267 T268 T275A267-L271 PolarHBondContact O-N 2.93Å; T268-L271 PolarHBondContact O-N 3.15Å; L271-T275 VanDerWaalsContact O-CB 3.31Å; L271-T275 WeakPolarHBondContact O-CB 3.32Å; L271-T275 PolarHBondContact O-N 3.21Å; L271-T275 PolarHBondContact O-OG1 3.46Å
272Q89.3Confident88.6Confident138 Ų13896.2 Ų96.265%0.64551%0.508SS*.Hα-helixtrans-64.5-46.4176-72.2-178.8-1.700111.9T268 Y269 W270 T275 S276T268-Q272 WeakPolarHBondContact O-CG 3.28Å; T268-Q272 PolarHBondContact O-N 3.2Å; T268-Q272 VanDerWaalsContact O-N 3.12Å; Y269-Q272 PolarHBondContact O-N 3.42Å; W270-Q272 PolarHBondContact O-N 2.96Å; Q272-T275 PolarHBondContact O-N 3.38Å; Q272-S276 WeakPolarHBondContact O-CB 3.07Å; Q272-S276 PolarHBondContact O-N 3.36Å
273G90.7Very high89Confident37 Ų3797 Ų9738%0.38151%0.51SS..Hα-helixtrans-61.8-48176.400000112.1Y269 W270 T275 S276 E277Y269-G273 PolarHBondContact O-N 2.79Å; W270-G273 PolarHBondContact O-N 2.92Å; G273-T275 VanDerWaalsContact C-N 3.32Å; G273-T275 PolarHBondContact O-N 3.08Å; G273-S276 WeakPolarHBondContact O-CB 3.17Å; G273-S276 PolarHBondContact O-N 3.24Å; G273-E277 PolarHBondContact O-N 3.34Å
274F90.2Very high89.5Confident110 Ų11097.4 Ų97.448%0.48251%0.507SS..Hα-helixtrans-59.1-42.1177.4-177.8-98000112.2W270 E277 N278W270-F274 HydrophobicContact CD2-CB 4.49Å; W270-F274 HydrophobicContact CE3-CB 4.17Å; W270-F274 HydrophobicContact CH2-CB 4.24Å; W270-F274 AromaticContact CH2-CD2 3.69Å; W270-F274 HydrophobicContact CH2-CD2 3.69Å; W270-F274 HydrophobicContact CH2-CE2 4.17Å; W270-F274 AromaticContact CH2-CG 3.9Å; W270-F274 HydrophobicContact CH2-CG 3.9Å; W270-F274 HydrophobicContact CZ2-CD2 4.02Å; W270-F274 HydrophobicContact CZ2-CG 4.47Å; W270-F274 HydrophobicContact CZ3-CB 4.04Å; W270-F274 HydrophobicContact CZ3-CD1 4.42Å; W270-F274 HydrophobicContact CZ3-CD2 4.26Å; W270-F274 AromaticContact CZ3-CG 3.98Å; W270-F274 HydrophobicContact CZ3-CG 3.98Å; W270-F274 WeakPolarHBondContact O-CB 3.41Å; W270-F274 PolarHBondContact O-N 3.43Å; F274-E277 PolarHBondContact O-N 3.19Å; F274-N278 WeakPolarHBondContact O-CB 3.24Å; F274-N278 PolarHBondContact O-N 3.38Å
275T91.5Very high90.1Very high63 Ų6397.5 Ų97.539%0.38751%0.507SS..Hα-helixtrans-65.8-41.5177.2-57.10000111.4L271 Q272 G273 N278 N279L271-T275 VanDerWaalsContact O-CB 3.31Å; L271-T275 WeakPolarHBondContact O-CB 3.32Å; L271-T275 PolarHBondContact O-N 3.21Å; L271-T275 PolarHBondContact O-OG1 3.46Å; Q272-T275 PolarHBondContact O-N 3.38Å; G273-T275 VanDerWaalsContact C-N 3.32Å; G273-T275 PolarHBondContact O-N 3.08Å; T275-N278 PolarHBondContact O-N 3.31Å; T275-N279 WeakPolarHBondContact O-CB 3.32Å; T275-N279 PolarHBondContact O-N 3.11Å; T275-N279 PolarHBondContact O-ND2 3.48Å
276S93.6Very high91.1Very high68 Ų6898.5 Ų98.548%0.47651%0.507SS..Hα-helixtrans-62.8-46.2176.6-174.50000112.2Q272 G273 N279 T280Q272-S276 WeakPolarHBondContact O-CB 3.07Å; Q272-S276 PolarHBondContact O-N 3.36Å; G273-S276 WeakPolarHBondContact O-CB 3.17Å; G273-S276 PolarHBondContact O-N 3.24Å; S276-N279 PolarHBondContact O-N 2.91Å; S276-T280 PolarHBondContact O-N 3.38Å; S276-T280 VanDerWaalsContact O-N 3.07Å; S276-T280 PolarHBondContact O-OG1 2.91Å
277E94.4Very high92Very high130 Ų13097.3 Ų97.361%0.60750%0.5SS*.Hα-helixtrans-65-44.4176.8-75.1-58.2135.100111.8G273 F274 N279 T280 M281G273-E277 PolarHBondContact O-N 3.34Å; F274-E277 PolarHBondContact O-N 3.19Å; E277-N279 VanDerWaalsContact C-N 3.34Å; E277-N279 PolarHBondContact O-N 2.9Å; E277-T280 WeakPolarHBondContact O-CB 3.42Å; E277-T280 PolarHBondContact O-N 2.82Å; E277-T280 VanDerWaalsContact O-N 3.17Å; E277-M281 PolarHBondContact O-N 2.62Å
278N95.6Very high92.6Very high79 Ų7998.9 Ų98.942%0.42251%0.51SS..Hα-helixtrans-62.1-40.9177.4-174.351.7000112.1F274 T275 T280 M281 L282F274-N278 WeakPolarHBondContact O-CB 3.24Å; F274-N278 PolarHBondContact O-N 3.38Å; T275-N278 PolarHBondContact O-N 3.31Å; N278-T280 VanDerWaalsContact C-N 3.33Å; N278-T280 PolarHBondContact O-N 3.42Å; N278-M281 PolarHBondContact O-N 2.73Å; N278-L282 VanDerWaalsContact O-CB 3.31Å; N278-L282 WeakPolarHBondContact O-CB 3.49Å; N278-L282 PolarHBondContact O-N 2.65Å
279N96Very high93.3Very high93 Ų9397 Ų9750%0.49750%0.501SS..Hα-helixtrans-61.4-42174.6-75.3-17.6000111.7T275 S276 E277 L282 M283T275-N279 WeakPolarHBondContact O-CB 3.32Å; T275-N279 PolarHBondContact O-N 3.11Å; T275-N279 PolarHBondContact O-ND2 3.48Å; S276-N279 PolarHBondContact O-N 2.91Å; E277-N279 VanDerWaalsContact C-N 3.34Å; E277-N279 PolarHBondContact O-N 2.9Å; N279-L282 PolarHBondContact O-N 3.3Å; N279-M283 PolarHBondContact O-N 3.14Å
280T96.5Very high93.9Very high61 Ų6193 Ų9337%0.37449%0.494SS..Hα-helixtrans-64.3-45.5177.2-58.30000111.5S276 E277 N278 L282 M283 N284S276-T280 PolarHBondContact O-N 3.38Å; S276-T280 VanDerWaalsContact O-N 3.07Å; S276-T280 PolarHBondContact O-OG1 2.91Å; E277-T280 WeakPolarHBondContact O-CB 3.42Å; E277-T280 PolarHBondContact O-N 2.82Å; E277-T280 VanDerWaalsContact O-N 3.17Å; N278-T280 VanDerWaalsContact C-N 3.33Å; N278-T280 PolarHBondContact O-N 3.42Å; T280-L282 VanDerWaalsContact C-N 3.33Å; T280-L282 PolarHBondContact O-N 2.78Å; T280-M283 PolarHBondContact O-N 3.33Å; T280-N284 PolarHBondContact O-N 3Å; T280-N284 VanDerWaalsContact O-N 3.08Å
281M95.9Very high94.5Very high136 Ų13690.8 Ų90.867%0.6750%0.496SS*.Hα-helixtrans-61.5-41.4175.7178.2172.3153.300111.9E277 N278 N284 L285E277-M281 PolarHBondContact O-N 2.62Å; N278-M281 PolarHBondContact O-N 2.73Å; M281-N284 PolarHBondContact O-N 2.99Å; M281-L285 PolarHBondContact O-N 2.74Å
282L96.2Very high94.9Very high69 Ų6994.6 Ų94.636%0.36150%0.504SS..Hα-helixtrans-65.7-39.8177.5-17860.2000111.8N278 N279 T280 N284 L285 F286N278-L282 VanDerWaalsContact O-CB 3.31Å; N278-L282 WeakPolarHBondContact O-CB 3.49Å; N278-L282 PolarHBondContact O-N 2.65Å; N279-L282 PolarHBondContact O-N 3.3Å; T280-L282 VanDerWaalsContact C-N 3.33Å; T280-L282 PolarHBondContact O-N 2.78Å; L282-N284 VanDerWaalsContact C-N 3.33Å; L282-N284 PolarHBondContact O-N 3.32Å; L282-L285 HydrophobicContact CD1-CD2 4.33Å; L282-L285 WeakPolarHBondContact O-CB 3.23Å; L282-L285 PolarHBondContact O-N 2.97Å; L282-F286 HydrophobicContact CD1-CD2 3.96Å; L282-F286 HydrophobicContact CD1-CE2 3.54Å; L282-F286 HydrophobicContact CD1-CZ 4.15Å; L282-F286 HydrophobicContact CD2-CE2 3.87Å; L282-F286 HydrophobicContact CG-CD2 3.77Å; L282-F286 HydrophobicContact CG-CE2 3.45Å; L282-F286 VanDerWaalsContact CG-CE2 3.45Å; L282-F286 HydrophobicContact CG-CZ 4.45Å; L282-F286 WeakPolarHBondContact O-CD2 3.26Å; L282-F286 PolarHBondContact O-N 2.86Å
283M96Very high95.3Very high124 Ų12490.7 Ų90.761%0.61150%0.495SS*.Hα-helixtrans-60.5-42.6174.4-171.7164.770.200111.6N279 T280 L285 F286 L287N279-M283 PolarHBondContact O-N 3.14Å; T280-M283 PolarHBondContact O-N 3.33Å; M283-L285 VanDerWaalsContact C-N 3.35Å; M283-L285 PolarHBondContact O-N 2.87Å; M283-F286 PolarHBondContact O-N 3.09Å; M283-L287 PolarHBondContact O-N 2.82Å
284N95.4Very high95.6Very high95 Ų9593.3 Ų93.351%0.50850%0.503SS..Hα-helixtrans-63.5-39.6174.6-71.9-23.6000112.3T280 M281 L282 L287 S288T280-N284 PolarHBondContact O-N 3Å; T280-N284 VanDerWaalsContact O-N 3.08Å; M281-N284 PolarHBondContact O-N 2.99Å; L282-N284 VanDerWaalsContact C-N 3.33Å; L282-N284 PolarHBondContact O-N 3.32Å; N284-L287 PolarHBondContact O-N 2.8Å; N284-S288 WeakPolarHBondContact O-CB 3.45Å; N284-S288 PolarHBondContact O-N 2.77Å
285L95.4Very high95.9Very high108 Ų10893.2 Ų93.257%0.56551%0.507SS*.Hα-helixtrans-62.9-42.5175.1-177.365.2000111.6M281 L282 M283 S288 S289M281-L285 PolarHBondContact O-N 2.74Å; L282-L285 HydrophobicContact CD1-CD2 4.33Å; L282-L285 WeakPolarHBondContact O-CB 3.23Å; L282-L285 PolarHBondContact O-N 2.97Å; M283-L285 VanDerWaalsContact C-N 3.35Å; M283-L285 PolarHBondContact O-N 2.87Å; L285-S288 PolarHBondContact O-N 3.24Å; L285-S289 WeakPolarHBondContact O-CB 3.27Å; L285-S289 PolarHBondContact O-N 3.41Å; L285-S289 PolarHBondContact O-OG 3.48Å
286F97Very high96.2Very high125 Ų12592 Ų9255%0.54851%0.507SS..Hα-helixtrans-65-42.2176.1-81-60000113L282 M283 S289 T290L282-F286 HydrophobicContact CD1-CD2 3.96Å; L282-F286 HydrophobicContact CD1-CE2 3.54Å; L282-F286 HydrophobicContact CD1-CZ 4.15Å; L282-F286 HydrophobicContact CD2-CE2 3.87Å; L282-F286 HydrophobicContact CG-CD2 3.77Å; L282-F286 HydrophobicContact CG-CE2 3.45Å; L282-F286 VanDerWaalsContact CG-CE2 3.45Å; L282-F286 HydrophobicContact CG-CZ 4.45Å; L282-F286 WeakPolarHBondContact O-CD2 3.26Å; L282-F286 PolarHBondContact O-N 2.86Å; M283-F286 PolarHBondContact O-N 3.09Å; F286-S289 WeakPolarHBondContact CA-OG 3.26Å; F286-S289 PolarHBondContact O-N 2.94Å; F286-S289 PolarHBondContact O-OG 3.41Å; F286-T290 WeakPolarHBondContact O-CB 3.43Å; F286-T290 PolarHBondContact O-N 3.2Å; F286-T290 PolarHBondContact O-OG1 3.24Å
287L97Very high96.3Very high123 Ų12393.7 Ų93.764%0.64451%0.51SS*.Hα-helixtrans-62.1-45.7175.4-178.960.6000111M283 N284 T290 A291M283-L287 PolarHBondContact O-N 2.82Å; N284-L287 PolarHBondContact O-N 2.8Å; L287-T290 PolarHBondContact O-N 3.19Å; L287-A291 WeakPolarHBondContact O-CB 3.38Å; L287-A291 PolarHBondContact O-N 2.59Å
288S95.7Very high96.4Very high55 Ų5592.4 Ų92.439%0.38550%0.504SS..Hα-helixtrans-63.4-42.8178.3-176.10000112.5N284 L285 A291 R292N284-S288 WeakPolarHBondContact O-CB 3.45Å; N284-S288 PolarHBondContact O-N 2.77Å; L285-S288 PolarHBondContact O-N 3.24Å; S288-A291 PolarHBondContact O-N 2.87Å; S288-R292 WeakPolarHBondContact O-CB 3.28Å; S288-R292 WeakPolarHBondContact O-CG 3.5Å; S288-R292 PolarHBondContact O-N 3.22Å
289S96.4Very high96.5Very high57 Ų5792.6 Ų92.640%0.39951%0.505SS..Hα-helixtrans-68.2-36.7177.667.50000112.3L285 F286 R292 A293L285-S289 WeakPolarHBondContact O-CB 3.27Å; L285-S289 PolarHBondContact O-N 3.41Å; L285-S289 PolarHBondContact O-OG 3.48Å; F286-S289 WeakPolarHBondContact CA-OG 3.26Å; F286-S289 PolarHBondContact O-N 2.94Å; F286-S289 PolarHBondContact O-OG 3.41Å; S289-R292 PolarHBondContact O-N 3.43Å; S289-A293 WeakPolarHBondContact O-CB 3.37Å; S289-A293 PolarHBondContact O-N 2.87Å
290T96.8Very high96.5Very high82 Ų8293.3 Ų93.350%0.50351%0.508SS..Hα-helixtrans-66.4-45.7174.8-54.80000111.1F286 L287 R292 A293 V294F286-T290 WeakPolarHBondContact O-CB 3.43Å; F286-T290 PolarHBondContact O-N 3.2Å; F286-T290 PolarHBondContact O-OG1 3.24Å; L287-T290 PolarHBondContact O-N 3.19Å; T290-R292 VanDerWaalsContact C-N 3.34Å; T290-R292 PolarHBondContact O-N 2.89Å; T290-A293 WeakPolarHBondContact O-CB 3.44Å; T290-A293 PolarHBondContact O-N 3.49Å; T290-A293 VanDerWaalsContact O-N 3.15Å; T290-V294 WeakPolarHBondContact O-CG2 3.13Å; T290-V294 PolarHBondContact O-N 3.4Å
291A96.9Very high96.4Very high50 Ų5095.2 Ų95.241%0.41352%0.515SS..Hα-helixtrans-59.9-43.8175.200000111.7L287 S288 A293 V294 L295L287-A291 WeakPolarHBondContact O-CB 3.38Å; L287-A291 PolarHBondContact O-N 2.59Å; S288-A291 PolarHBondContact O-N 2.87Å; A291-A293 VanDerWaalsContact C-N 3.33Å; A291-A293 PolarHBondContact O-N 2.95Å; A291-V294 PolarHBondContact O-N 3.49Å; A291-L295 WeakPolarHBondContact O-CG 3.41Å; A291-L295 PolarHBondContact O-N 3Å
292R96.2Very high96.4Very high184 Ų18493.7 Ų93.769%0.69451%0.507SS*.Hα-helixtrans-61.6-38.1173.6-76.5-174.9-173.8173.33.2112.8S288 S289 T290 L295 G296S288-R292 WeakPolarHBondContact O-CB 3.28Å; S288-R292 WeakPolarHBondContact O-CG 3.5Å; S288-R292 PolarHBondContact O-N 3.22Å; S289-R292 PolarHBondContact O-N 3.43Å; T290-R292 VanDerWaalsContact C-N 3.34Å; T290-R292 PolarHBondContact O-N 2.89Å; R292-L295 PolarHBondContact O-N 2.85Å; R292-G296 PolarHBondContact O-N 2.88Å
293A97Very high96.4Very high56 Ų5695.2 Ų95.246%0.46352%0.515SS..Hα-helixtrans-65.7-41.6176.500000111.8S289 T290 A291 G296 L297S289-A293 WeakPolarHBondContact O-CB 3.37Å; S289-A293 PolarHBondContact O-N 2.87Å; T290-A293 WeakPolarHBondContact O-CB 3.44Å; T290-A293 PolarHBondContact O-N 3.49Å; T290-A293 VanDerWaalsContact O-N 3.15Å; A291-A293 VanDerWaalsContact C-N 3.33Å; A291-A293 PolarHBondContact O-N 2.95Å; A293-G296 PolarHBondContact O-N 2.74Å; A293-L297 VanDerWaalsContact O-CG 3.31Å; A293-L297 WeakPolarHBondContact O-CG 3.4Å; A293-L297 PolarHBondContact O-N 3.32Å
294V97Very high96.3Very high92 Ų9295.2 Ų95.256%0.55851%0.511SS*.Hα-helixtrans-64.1-44.6175.5174.20000111.3T290 A291 L297 H298T290-V294 WeakPolarHBondContact O-CG2 3.13Å; T290-V294 PolarHBondContact O-N 3.4Å; A291-V294 PolarHBondContact O-N 3.49Å; V294-L297 PolarHBondContact O-N 2.89Å; V294-H298 PolarHBondContact O-N 2.89Å
295L97Very high96.3Very high107 Ų10795.5 Ų95.556%0.5651%0.512SS*.Hα-helixtrans-62.2-46.1175-69.9172.8000111.5A291 R292 L297 H298 D299A291-L295 WeakPolarHBondContact O-CG 3.41Å; A291-L295 PolarHBondContact O-N 3Å; R292-L295 PolarHBondContact O-N 2.85Å; L295-L297 VanDerWaalsContact C-N 3.27Å; L295-L297 PolarHBondContact O-N 3.41Å; L295-H298 WeakPolarHBondContact O-CA 3.13Å; L295-H298 WeakPolarHBondContact O-CB 3.32Å; L295-H298 PolarHBondContact O-N 3.39Å; L295-D299 PolarHBondContact O-N 3.25Å
296G97.3Very high96.2Very high38 Ų3893.2 Ų93.239%0.39251%0.509SS..Hα-helixtrans-62.1-32.4176.800000113.4R292 A293 L300R292-G296 PolarHBondContact O-N 2.88Å; A293-G296 PolarHBondContact O-N 2.74Å; G296-L300 WeakPolarHBondContact O-CB 3.48Å; G296-L300 PolarHBondContact O-N 3.39Å
297L96.4Very high96.1Very high104 Ų10492.6 Ų92.655%0.54551%0.511SS..Hα-helixtrans-69.5-40.1171.4-74.8171.9000112.1A293 V294 L295 L300 I301A293-L297 VanDerWaalsContact O-CG 3.31Å; A293-L297 WeakPolarHBondContact O-CG 3.4Å; A293-L297 PolarHBondContact O-N 3.32Å; V294-L297 PolarHBondContact O-N 2.89Å; L295-L297 VanDerWaalsContact C-N 3.27Å; L295-L297 PolarHBondContact O-N 3.41Å; L297-L300 PolarHBondContact O-N 3.12Å; L297-I301 VanDerWaalsContact O-CG1 3.29Å; L297-I301 WeakPolarHBondContact O-CG1 3.46Å; L297-I301 PolarHBondContact O-N 3.48Å
298H96.5Very high95.9Very high102 Ų10293.3 Ų93.347%0.47251%0.505SS..Hα-helixtrans-61-49.7175.1-171.169.4000110.9V294 L295 L300 I301 E302V294-H298 PolarHBondContact O-N 2.89Å; L295-H298 WeakPolarHBondContact O-CA 3.13Å; L295-H298 WeakPolarHBondContact O-CB 3.32Å; L295-H298 PolarHBondContact O-N 3.39Å; H298-L300 VanDerWaalsContact C-N 3.27Å; H298-L300 PolarHBondContact O-N 2.82Å; H298-I301 WeakPolarHBondContact O-CB 3.47Å; H298-I301 PolarHBondContact O-N 3.29Å; H298-E302 IonicContact CD2-OE1 3.95Å; H298-E302 IonicContact CE1-OE1 3.99Å; H298-E302 IonicContact NE2-OE1 3.29Å; H298-E302 PolarHBondContact NE2-OE1 3.04Å; H298-E302 PolarHBondContact O-N 3.09Å
299D96.8Very high95.7Very high84 Ų8494.5 Ų94.545%0.44951%0.51SS..Hα-helixtrans-58.6-38.9176.1-64.5-13.4000111.5L295 E302 N303L295-D299 PolarHBondContact O-N 3.25Å; D299-E302 PolarHBondContact O-N 3.45Å; D299-N303 WeakPolarHBondContact O-CB 3.32Å; D299-N303 PolarHBondContact O-N 3.28Å; D299-N303 PolarHBondContact O-ND2 3.3Å
300L96.2Very high95.5Very high107 Ų10794.2 Ų94.256%0.5651%0.511SS*.Hα-helixtrans-64.9-40.4176-177.766.7000112.2G296 L297 H298 K304G296-L300 WeakPolarHBondContact O-CB 3.48Å; G296-L300 PolarHBondContact O-N 3.39Å; L297-L300 PolarHBondContact O-N 3.12Å; H298-L300 VanDerWaalsContact C-N 3.27Å; H298-L300 PolarHBondContact O-N 2.82Å; L300-K304 VanDerWaalsContact O-CB 3.27Å; L300-K304 WeakPolarHBondContact O-CB 3.43Å; L300-K304 PolarHBondContact O-N 2.94Å
301I95.6Very high95.2Very high101 Ų10195.7 Ų95.752%0.51851%0.512SS..Hα-helixtrans-65.1-46.8176.8-69164.8000109.9L297 H298 K304 L305L297-I301 VanDerWaalsContact O-CG1 3.29Å; L297-I301 WeakPolarHBondContact O-CG1 3.46Å; L297-I301 PolarHBondContact O-N 3.48Å; H298-I301 WeakPolarHBondContact O-CB 3.47Å; H298-I301 PolarHBondContact O-N 3.29Å; I301-K304 PolarHBondContact O-N 3.42Å; I301-L305 HydrophobicContact CG2-CD1 3.89Å; I301-L305 HydrophobicContact CG2-CG 4.48Å; I301-L305 WeakPolarHBondContact O-CB 3.03Å; I301-L305 WeakPolarHBondContact O-CG 3.28Å; I301-L305 PolarHBondContact O-N 3.24Å
302E95.9Very high94.8Very high105 Ų105101.2 Ų101.249%0.49152%0.522SS..Hα-helixtrans-60.4-48.2176.9-69.2-164.3152.600111.5H298 D299 K304 L305 A306H298-E302 IonicContact CD2-OE1 3.95Å; H298-E302 IonicContact CE1-OE1 3.99Å; H298-E302 IonicContact NE2-OE1 3.29Å; H298-E302 PolarHBondContact NE2-OE1 3.04Å; H298-E302 PolarHBondContact O-N 3.09Å; D299-E302 PolarHBondContact O-N 3.45Å; E302-K304 VanDerWaalsContact C-N 3.31Å; E302-K304 PolarHBondContact O-N 2.86Å; E302-L305 PolarHBondContact O-N 3.08Å; E302-A306 WeakPolarHBondContact O-CB 3.46Å; E302-A306 PolarHBondContact O-N 3.21Å
303N95.3Very high94.5Very high100 Ų10095.9 Ų95.954%0.53551%0.507SS..Hα-helixtrans-58.5-41.7176.3-77.5-37000112D299 A306 L307D299-N303 WeakPolarHBondContact O-CB 3.32Å; D299-N303 PolarHBondContact O-N 3.28Å; D299-N303 PolarHBondContact O-ND2 3.3Å; N303-A306 PolarHBondContact O-N 3.08Å; N303-L307 WeakPolarHBondContact O-CB 3.48Å; N303-L307 VanDerWaalsContact O-CG 3.27Å; N303-L307 WeakPolarHBondContact O-CG 3.25Å; N303-L307 PolarHBondContact O-N 3.49Å
304K95.4Very high94.1Very high124 Ų12498.6 Ų98.654%0.53951%0.512SS..Hα-helixtrans-70-36.2178.5-170.3172.7-173.9173.30112.8L300 I301 E302 R308L300-K304 VanDerWaalsContact O-CB 3.27Å; L300-K304 WeakPolarHBondContact O-CB 3.43Å; L300-K304 PolarHBondContact O-N 2.94Å; I301-K304 PolarHBondContact O-N 3.42Å; E302-K304 VanDerWaalsContact C-N 3.31Å; E302-K304 PolarHBondContact O-N 2.86Å; K304-R308 WeakPolarHBondContact O-CG 3.34Å; K304-R308 PolarHBondContact O-N 2.88Å; K304-R308 VanDerWaalsContact O-N 3.08Å
305L94.5Very high93.6Very high101 Ų10198.2 Ų98.253%0.52951%0.507SS..Hα-helixtrans-66.5-46173.8-75167.3000110.8I301 E302 L307 R308 V309I301-L305 HydrophobicContact CG2-CD1 3.89Å; I301-L305 HydrophobicContact CG2-CG 4.48Å; I301-L305 WeakPolarHBondContact O-CB 3.03Å; I301-L305 WeakPolarHBondContact O-CG 3.28Å; I301-L305 PolarHBondContact O-N 3.24Å; E302-L305 PolarHBondContact O-N 3.08Å; L305-L307 PolarHBondContact O-N 2.92Å; L305-R308 PolarHBondContact O-N 3.36Å; L305-V309 WeakPolarHBondContact O-CG2 2.89Å; L305-V309 PolarHBondContact O-N 3.04Å
306A94.3Very high93.1Very high60 Ų60100.5 Ų100.550%0.49651%0.508SS..Hα-helixtrans-58.7-45.4175.700000111.8E302 N303 R308 V309 A310E302-A306 WeakPolarHBondContact O-CB 3.46Å; E302-A306 PolarHBondContact O-N 3.21Å; N303-A306 PolarHBondContact O-N 3.08Å; A306-R308 PolarHBondContact O-N 3.49Å; A306-V309 PolarHBondContact O-N 2.92Å; A306-A310 WeakPolarHBondContact O-CB 3.41Å; A306-A310 PolarHBondContact O-N 3.36Å
307L93.8Very high92.5Very high112 Ų112104.2 Ų104.259%0.58652%0.515SS*.Hα-helixtrans-60.1-44.4175.2-75.9169.9000112.5N303 L305 V309 A310 E311N303-L307 WeakPolarHBondContact O-CB 3.48Å; N303-L307 VanDerWaalsContact O-CG 3.27Å; N303-L307 WeakPolarHBondContact O-CG 3.25Å; N303-L307 PolarHBondContact O-N 3.49Å; L305-L307 PolarHBondContact O-N 2.92Å; L307-V309 VanDerWaalsContact C-N 3.33Å; L307-V309 PolarHBondContact O-N 3.1Å; L307-A310 PolarHBondContact O-N 3.06Å; L307-E311 WeakPolarHBondContact O-CG 3.45Å; L307-E311 PolarHBondContact O-N 3.07Å
308R92.5Very high91.8Very high139 Ų139104.5 Ų104.553%0.52552%0.515SS..Hα-helixtrans-64-36177.4-80.4-179.3170.5-179.1-2.1113.2K304 L305 A306 R312K304-R308 WeakPolarHBondContact O-CG 3.34Å; K304-R308 PolarHBondContact O-N 2.88Å; K304-R308 VanDerWaalsContact O-N 3.08Å; L305-R308 PolarHBondContact O-N 3.36Å; A306-R308 PolarHBondContact O-N 3.49Å; R308-R312 VanDerWaalsContact O-CG 3.31Å; R308-R312 WeakPolarHBondContact O-CG 3.49Å; R308-R312 PolarHBondContact O-N 3.21Å
309V92.2Very high91.2Very high80 Ų80108.4 Ų108.449%0.48553%0.526SS..Hα-helixtrans-68.4-45175173.70000109.8L305 A306 L307 E311 R312 D313L305-V309 WeakPolarHBondContact O-CG2 2.89Å; L305-V309 PolarHBondContact O-N 3.04Å; A306-V309 PolarHBondContact O-N 2.92Å; L307-V309 VanDerWaalsContact C-N 3.33Å; L307-V309 PolarHBondContact O-N 3.1Å; V309-E311 PolarHBondContact O-N 2.98Å; V309-R312 PolarHBondContact O-N 3.4Å; V309-D313 PolarHBondContact O-N 3.03Å
310A91.7Very high90.5Very high50 Ų50113 Ų11341%0.41354%0.536SS..Hα-helixtrans-59.8-44176.400000112.6A306 L307 R312 D313 M314A306-A310 WeakPolarHBondContact O-CB 3.41Å; A306-A310 PolarHBondContact O-N 3.36Å; L307-A310 PolarHBondContact O-N 3.06Å; A310-R312 PolarHBondContact O-N 2.71Å; A310-D313 PolarHBondContact O-N 2.99Å; A310-M314 WeakPolarHBondContact O-CG 3.11Å; A310-M314 PolarHBondContact O-N 3.38Å
311E90.5Very high89.7Confident113 Ų113113 Ų11353%0.52853%0.534SS..Hα-helixtrans-58.6-46.4174.4-76.4175.4171.700111.8L307 V309 D313 M314 D315L307-E311 WeakPolarHBondContact O-CG 3.45Å; L307-E311 PolarHBondContact O-N 3.07Å; V309-E311 PolarHBondContact O-N 2.98Å; E311-D313 VanDerWaalsContact C-N 3.32Å; E311-D313 PolarHBondContact O-N 3.27Å; E311-M314 PolarHBondContact O-N 3.49Å; E311-D315 WeakPolarHBondContact O-CB 3.3Å; E311-D315 PolarHBondContact O-N 3.41Å
312R89.6Confident89Confident166 Ų166110.6 Ų110.663%0.62653%0.529SS*.Hα-helixtrans-63.9-38.1178.5-75.3173.7174.5-179.1-1112.5R308 V309 A310 R316R308-R312 VanDerWaalsContact O-CG 3.31Å; R308-R312 WeakPolarHBondContact O-CG 3.49Å; R308-R312 PolarHBondContact O-N 3.21Å; V309-R312 PolarHBondContact O-N 3.4Å; A310-R312 PolarHBondContact O-N 2.71Å; R312-R316 WeakPolarHBondContact O-CB 3.46Å; R312-R316 WeakPolarHBondContact O-CD 3.43Å; R312-R316 WeakPolarHBondContact O-CG 3.39Å; R312-R316 PolarHBondContact O-N 3.09Å
313D89.9Confident88.2Confident72 Ų72110.9 Ų110.939%0.38553%0.533SS..Hα-helixtrans-72.7-37.1178.3-73.9-22.2000111.7V309 A310 E311 R316 Q317V309-D313 PolarHBondContact O-N 3.03Å; A310-D313 PolarHBondContact O-N 2.99Å; E311-D313 VanDerWaalsContact C-N 3.32Å; E311-D313 PolarHBondContact O-N 3.27Å; D313-R316 PolarHBondContact O-N 3.09Å; D313-R316 IonicContact OD1-NH1 3.68Å; D313-Q317 WeakPolarHBondContact O-CB 3.46Å; D313-Q317 VanDerWaalsContact O-CG 3.31Å; D313-Q317 WeakPolarHBondContact O-CG 3.45Å; D313-Q317 PolarHBondContact O-N 2.86Å
314M86.9Confident87.4Confident114 Ų114113.5 Ų113.556%0.56254%0.54SS*.Hα-helixtrans-63.4-44.1170.2-72.5-150.7-63.800112A310 E311 R316 Q317 M318A310-M314 WeakPolarHBondContact O-CG 3.11Å; A310-M314 PolarHBondContact O-N 3.38Å; E311-M314 PolarHBondContact O-N 3.49Å; M314-R316 VanDerWaalsContact C-N 3.3Å; M314-R316 PolarHBondContact O-N 3.33Å; M314-Q317 PolarHBondContact O-N 3.34Å; M314-M318 WeakPolarHBondContact O-CB 3.4Å; M314-M318 WeakPolarHBondContact O-CG 3.24Å; M314-M318 PolarHBondContact O-N 3.34Å
315D87.8Confident86.5Confident84 Ų84116.7 Ų116.745%0.44955%0.548SS..Hα-helixtrans-61.2-40175.4-82.9-13.8000111.9E311 M318 R319E311-D315 WeakPolarHBondContact O-CB 3.3Å; E311-D315 PolarHBondContact O-N 3.41Å; D315-M318 WeakPolarHBondContact OD1-CE 3.41Å; D315-R319 WeakPolarHBondContact O-CB 3.4Å; D315-R319 VanDerWaalsContact O-CG 3.26Å; D315-R319 WeakPolarHBondContact O-CG 3.34Å; D315-R319 PolarHBondContact O-N 3.39Å
316R85.8Confident85.6Confident155 Ų155119 Ų11959%0.58555%0.554SS**Hα-helixtrans-66.2-40.7174.8-76.4168.4173.7-175.7-3.1111.7R312 D313 M314 R320R312-R316 WeakPolarHBondContact O-CB 3.46Å; R312-R316 WeakPolarHBondContact O-CD 3.43Å; R312-R316 WeakPolarHBondContact O-CG 3.39Å; R312-R316 PolarHBondContact O-N 3.09Å; D313-R316 PolarHBondContact O-N 3.09Å; D313-R316 IonicContact OD1-NH1 3.68Å; M314-R316 VanDerWaalsContact C-N 3.3Å; M314-R316 PolarHBondContact O-N 3.33Å; R316-R320 WeakPolarHBondContact O-CB 3.31Å; R316-R320 VanDerWaalsContact O-CG 3.27Å; R316-R320 WeakPolarHBondContact O-CG 3.38Å; R316-R320 PolarHBondContact O-N 3.08Å
317Q84.7Confident84.5Confident116 Ų116120.5 Ų120.554%0.54255%0.554SS.*Hα-helixtrans-64.9-49.2175.5-75.7177.43.500111.1D313 M314 R319 R320 E321D313-Q317 WeakPolarHBondContact O-CB 3.46Å; D313-Q317 VanDerWaalsContact O-CG 3.31Å; D313-Q317 WeakPolarHBondContact O-CG 3.45Å; D313-Q317 PolarHBondContact O-N 2.86Å; M314-Q317 PolarHBondContact O-N 3.34Å; Q317-R319 VanDerWaalsContact C-N 3.31Å; Q317-R319 PolarHBondContact O-N 3.04Å; Q317-R320 WeakPolarHBondContact O-CB 3.48Å; Q317-R320 PolarHBondContact O-N 3.43Å; Q317-R320 VanDerWaalsContact O-N 3.08Å; Q317-E321 WeakPolarHBondContact O-CG 3.19Å; Q317-E321 PolarHBondContact O-N 3.12Å
318M82.7Confident83.4Confident110 Ų110118.3 Ų118.354%0.54255%0.552SS.*Hα-helixtrans-57.9-41.7175.7-76.1-166-75.800112.1M314 D315 E321 A322M314-M318 WeakPolarHBondContact O-CB 3.4Å; M314-M318 WeakPolarHBondContact O-CG 3.24Å; M314-M318 PolarHBondContact O-N 3.34Å; D315-M318 WeakPolarHBondContact OD1-CE 3.41Å; M318-E321 PolarHBondContact O-N 3.49Å; M318-A322 VanDerWaalsContact O-CB 3.26Å; M318-A322 WeakPolarHBondContact O-CB 3.47Å; M318-A322 PolarHBondContact O-N 3.37Å
319R83.2Confident82.1Confident184 Ų184115.8 Ų115.869%0.69456%0.561SS**Hα-helixtrans-65-40.9174.9-76.2177.5-178.3-164.32.3112.4D315 Q317 A322 L323D315-R319 WeakPolarHBondContact O-CB 3.4Å; D315-R319 VanDerWaalsContact O-CG 3.26Å; D315-R319 WeakPolarHBondContact O-CG 3.34Å; D315-R319 PolarHBondContact O-N 3.39Å; Q317-R319 VanDerWaalsContact C-N 3.31Å; Q317-R319 PolarHBondContact O-N 3.04Å; R319-A322 PolarHBondContact O-N 2.91Å; R319-L323 PolarHBondContact O-N 3.32Å
320R81.8Confident80.6Confident179 Ų179120.3 Ų120.368%0.67557%0.574SS**Hα-helixtrans-64.5-41.4175.6-77.4173.9174.3-179.4-0.6111.5R316 Q317 L323 K324R316-R320 WeakPolarHBondContact O-CB 3.31Å; R316-R320 VanDerWaalsContact O-CG 3.27Å; R316-R320 WeakPolarHBondContact O-CG 3.38Å; R316-R320 PolarHBondContact O-N 3.08Å; Q317-R320 WeakPolarHBondContact O-CB 3.48Å; Q317-R320 PolarHBondContact O-N 3.43Å; Q317-R320 VanDerWaalsContact O-N 3.08Å; R320-L323 PolarHBondContact O-N 2.88Å; R320-K324 WeakPolarHBondContact O-CG 3.31Å; R320-K324 PolarHBondContact O-N 2.9Å
321E79.9Confident78.8Confident109 Ų109121.8 Ų121.851%0.50958%0.582SS.*Hα-helixtrans-67.7-40.3175.6-71.7-175.9175.600112.3Q317 M318 K324 R325Q317-E321 WeakPolarHBondContact O-CG 3.19Å; Q317-E321 PolarHBondContact O-N 3.12Å; M318-E321 PolarHBondContact O-N 3.49Å; E321-K324 PolarHBondContact O-N 2.86Å; E321-R325 WeakPolarHBondContact O-CG 3.35Å; E321-R325 PolarHBondContact O-N 3.05Å
322A80.8Confident77Confident50 Ų50122 Ų12241%0.41359%0.593SS.*Hα-helixtrans-64.1-39175.300000112.2M318 R319 R325 K326M318-A322 VanDerWaalsContact O-CB 3.26Å; M318-A322 WeakPolarHBondContact O-CB 3.47Å; M318-A322 PolarHBondContact O-N 3.37Å; R319-A322 PolarHBondContact O-N 2.91Å; A322-R325 PolarHBondContact O-N 3.24Å; A322-K326 PolarHBondContact O-N 3.37Å
323L78.8Confident75.1Confident110 Ų110123.5 Ų123.558%0.57660%0.604SS**Hα-helixtrans-63.5-49.6172.3-111.794.1000111.1R319 R320 R325 K326 D327R319-L323 PolarHBondContact O-N 3.32Å; R320-L323 PolarHBondContact O-N 2.88Å; L323-R325 VanDerWaalsContact C-N 3.27Å; L323-R325 PolarHBondContact O-N 2.91Å; L323-K326 PolarHBondContact O-N 3.23Å; L323-D327 PolarHBondContact O-N 3.22Å
324K78.8Confident73Confident155 Ų155129.9 Ų129.967%0.67463%0.628SS**Hα-helixtrans-56.1-39.9176.9-74.2178.1-179.6-175.60112.3R320 E321 A328R320-K324 WeakPolarHBondContact O-CG 3.31Å; R320-K324 PolarHBondContact O-N 2.9Å; E321-K324 PolarHBondContact O-N 2.86Å; K324-A328 WeakPolarHBondContact O-CB 3.33Å; K324-A328 PolarHBondContact O-N 3.13Å
325R75.8Confident71.1Confident191 Ų191133.7 Ų133.772%0.72164%0.642SS**Hα-helixtrans-66.7-39.8175.1-75.3-178.8177.5-174.61.6112.6E321 A322 L323 A329E321-R325 WeakPolarHBondContact O-CG 3.35Å; E321-R325 PolarHBondContact O-N 3.05Å; A322-R325 PolarHBondContact O-N 3.24Å; L323-R325 VanDerWaalsContact C-N 3.27Å; L323-R325 PolarHBondContact O-N 2.91Å; R325-A329 WeakPolarHBondContact O-CB 3.38Å; R325-A329 PolarHBondContact O-N 3.08Å
326K75.2Confident68.8Low150 Ų150140.9 Ų140.965%0.65268%0.68SS**Hα-helixtrans-66.9-40.4175.9-80.1-175.7175.1-178.90112.2A322 L323 A329 K330A322-K326 PolarHBondContact O-N 3.37Å; L323-K326 PolarHBondContact O-N 3.23Å; K326-A329 PolarHBondContact O-N 2.9Å; K326-K330 PolarHBondContact O-N 3.42Å
327D72.9Confident68Low91 Ų91140.2 Ų140.249%0.48769%0.685SS.*Hα-helixtrans-70.1-38.1178.6-64.8-25.5000111.5L323 A329 K330 S331L323-D327 PolarHBondContact O-N 3.22Å; D327-A329 PolarHBondContact O-N 3.06Å; D327-K330 PolarHBondContact O-N 2.69Å; D327-S331 PolarHBondContact O-N 3.17Å; D327-S331 PolarHBondContact O-OG 3.14Å
328A70.9Confident67.1Low67 Ų67141.5 Ų141.555%0.55469%0.693SS**Hα-helixtrans-63.2-38.117100000112.6K324 S331K324-A328 WeakPolarHBondContact O-CB 3.33Å; K324-A328 PolarHBondContact O-N 3.13Å; A328-S331 PolarHBondContact O-N 3.45Å
329A64.8Low66.2Low86 Ų86143.2 Ų143.271%0.71170%0.701SS**Hα-helixtrans-73.7-28.6178.700000113.5R325 K326 D327 S331R325-A329 WeakPolarHBondContact O-CB 3.38Å; R325-A329 PolarHBondContact O-N 3.08Å; K326-A329 PolarHBondContact O-N 2.9Å; D327-A329 PolarHBondContact O-N 3.06Å; A329-S331 VanDerWaalsContact C-N 3.31Å
330K61.2Low65.2Low174 Ų174140.8 Ų140.876%0.75770%0.701SS**Hα-helixtrans-81.5-7.8175.1-78.4-174.8176.3-176.60113.9K326 D327 P332K326-K330 PolarHBondContact O-N 3.42Å; D327-K330 PolarHBondContact O-N 2.69Å; K330-P332 WeakPolarHBondContact O-CD 3.19Å
331S51.9Low64.2Low82 Ų82138.4 Ų138.457%0.57370%0.703SS**SBendtrans-83102.1175.5-58.20000108.6D327 A328 A329 K333D327-S331 PolarHBondContact O-N 3.17Å; D327-S331 PolarHBondContact O-OG 3.14Å; A328-S331 PolarHBondContact O-N 3.45Å; A329-S331 VanDerWaalsContact C-N 3.31Å; S331-K333 PolarHBondContact O-N 2.83Å
332P52.7Low63.1Low118 Ų118140.4 Ų140.477%0.76672%0.716SS**  trans-72130.7179.6-3.522.4000108.1K330 K334K330-P332 WeakPolarHBondContact O-CD 3.19Å; P332-K334 PolarHBondContact O-N 2.7Å
333K49.7Very low61.9Low197 Ų197146.9 Ų146.986%0.85774%0.737SS**  trans-44.9112.7169-72.5176.2174.2177.90109.2S331 K335S331-K333 PolarHBondContact O-N 2.83Å; K333-K335 VanDerWaalsContact C-N 3.33Å; K333-K335 PolarHBondContact O-N 3.04Å
334K46.2Very low60.6Low206 Ų206149.7 Ų149.790%0.89675%0.75SS**  trans-58.6102159-90.4-175.5170.9-175.60106.8P332P332-K334 PolarHBondContact O-N 2.7Å
335K47Very low59.1Low193 Ų193149.3 Ų149.384%0.83976%0.756SS**  trans-92.2105.3154.6-88.9-173.2172-174.40105.5K333K333-K335 VanDerWaalsContact C-N 3.33Å; K333-K335 PolarHBondContact O-N 3.04Å
336D40.6Very low57.5Low236 Ų236145.5 Ų145.5100%1.26276%0.759SS**  trans-132.80144-81.1-39.1000106.1

Retrieved 336 of 336 residues in 59.3 ms (Link to these results)