A0A087X9S5_POEFO Loading...

Zgc:110045

AlphaFold DB , UniProt , Accession A0A087X9S5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 323 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
1K32.6Very low44.6Very low264 Ų264143.3 Ų143.3100%1.14878%0.782SS**  084.60-92-177.4169.2-174.70106.4
2E35.2Very low47.5Very low177 Ų177135.5 Ų135.583%0.82774%0.742SS**  trans-98.994.9172.9-96.6161.371.800107.3M4E2-M4 PolarHBondContact O-N 3.15Å
3E42.3Very low50.3Low176 Ų176133.2 Ų133.282%0.82274%0.735SS**  trans-8191.8164.1-165.6165.2100.400105.5T5E3-T5 VanDerWaalsContact C-N 3.31Å; E3-T5 PolarHBondContact O-N 2.95Å
4M38.5Very low52.8Low126 Ų126125.1 Ų125.162%0.62169%0.689SS**  trans-67.795.7169.9-91179.2179.400108.3E2 L6E2-M4 PolarHBondContact O-N 3.15Å; M4-L6 PolarHBondContact O-N 3.32Å; M4-L6 VanDerWaalsContact O-N 3.15Å
5T39.9Very low55.2Low123 Ų123121.2 Ų121.276%0.75567%0.671SS**  trans-6594160.536.80000108.8E3E3-T5 VanDerWaalsContact C-N 3.31Å; E3-T5 PolarHBondContact O-N 2.95Å
6L45.5Very low57.3Low162 Ų162113.8 Ų113.885%0.84863%0.63SS**  trans-99.894.6155.4-90.3154.5000107.7M4M4-L6 PolarHBondContact O-N 3.32Å; M4-L6 VanDerWaalsContact O-N 3.15Å
7D47.7Very low59.1Low165 Ų165109.1 Ų109.188%0.88260%0.6SS**  trans-42.5135.3159.8-167.2-94000111.6
8G42.3Very low60.9Low55 Ų55103.1 Ų103.157%0.56757%0.567SS**  trans137.662.6-177.900000112.2L10G8-L10 PolarHBondContact O-N 2.83Å
9G44.8Very low62.3Low78 Ų7897.7 Ų97.780%0.80454%0.538SS*.  trans-63.475.7176.600000112.6N11G9-N11 VanDerWaalsContact C-N 3.3Å; G9-N11 PolarHBondContact O-N 2.8Å
10L55.6Low63.5Low103 Ų10393.2 Ų93.254%0.53951%0.512SS..  trans-72.891.9161.9-70.1172.4000106.8G8 V12 T65 L167G8-L10 PolarHBondContact O-N 2.83Å; L10-V12 HydrophobicContact CB-CG2 3.9Å; L10-V12 HydrophobicContact CD2-CG2 4.33Å; L10-V12 PolarHBondContact O-N 3.26Å; L10-T65 WeakPolarHBondContact O-CB 3.36Å; L10-T65 PolarHBondContact O-OG1 3.44Å; L10-L167 HydrophobicContact CD1-CD1 4.19Å
11N66.5Low64.5Low147 Ų14792.1 Ų92.179%0.78650%0.504SS*.  trans-67.645.8165.252.6-0.7000111.3G9G9-N11 VanDerWaalsContact C-N 3.3Å; G9-N11 PolarHBondContact O-N 2.8Å
12V79.4Confident66.9Low50 Ų5081.1 Ų81.130%0.30347%0.465SS..  trans-86.1133.4177.1-177.10000108.4L10 L14 P64 T65 L167L10-V12 HydrophobicContact CB-CG2 3.9Å; L10-V12 HydrophobicContact CD2-CG2 4.33Å; L10-V12 PolarHBondContact O-N 3.26Å; V12-L14 HydrophobicContact CG1-CG 4.45Å; V12-P64 CarbonylContact O-C 3.17Å; V12-P64 WeakPolarHBondContact O-CA 3.3Å; V12-T65 PolarHBondContact O-N 2.93Å; V12-T65 PolarHBondContact O-OG1 3.29Å; V12-L167 HydrophobicContact CB-CD2 3.77Å; V12-L167 HydrophobicContact CG1-CD2 3.36Å; V12-L167 HydrophobicContact CG2-CD2 4.11Å
13T83.9Confident69.1Low106 Ų10679.7 Ų79.765%0.6546%0.456SS*.EExtended strand (participates in β ladder)trans-82.8121.2173.452.50000109.7G63T13-G63 CarbonylContact C-O 3.54Å; T13-G63 VanDerWaalsContact CA-O 3.29Å; T13-G63 WeakPolarHBondContact CA-O 3.46Å
14L85.6Confident71.1Confident19 Ų1973.3 Ų73.310%0.09943%0.426CS..EExtended strand (participates in β ladder)trans-116.4160.5177.1-71.3161.4000110.2V12 T62 G63 I68 C163 L167V12-L14 HydrophobicContact CG1-CG 4.45Å; L14-T62 WeakPolarHBondContact O-CA 3.44Å; L14-G63 PolarHBondContact N-O 3.17Å; L14-G63 PolarHBondContact O-N 3.06Å; L14-I68 HydrophobicContact CB-CD1 3.49Å; L14-I68 VanDerWaalsContact CB-CD1 3.49Å; L14-I68 WeakPolarHBondContact O-CD1 3.48Å; L14-C163 WeakPolarHBondContact CD1-SG 3.19Å; L14-L167 HydrophobicContact CD1-CD1 4.12Å; L14-L167 HydrophobicContact CD1-CD2 4.08Å; L14-L167 HydrophobicContact CD1-CG 4.02Å; L14-L167 HydrophobicContact CD2-CD2 3.76Å; L14-L167 HydrophobicContact CD2-CG 4.13Å; L14-L167 HydrophobicContact CG-CD2 4.12Å
15T87.8Confident73.3Confident67 Ų6767.4 Ų67.441%0.41140%0.397SS..EExtended strand (participates in β ladder)trans-125.2117.3171.9-63.10000108.8T60 I61 T62T15-T60 HydrophobicContact CG2-CG2 3.55Å; T15-I61 WeakPolarHBondContact CA-O 3.09Å; T15-T62 VanDerWaalsContact CG2-OG1 3.28Å; T15-T62 WeakPolarHBondContact CG2-OG1 3.43Å; T15-T62 VanDerWaalsContact OG1-CG2 3.3Å; T15-T62 WeakPolarHBondContact OG1-CG2 3.45Å; T15-T62 PolarHBondContact OG1-OG1 3.19Å
16L88.7Confident75.5Confident2 Ų263.3 Ų63.31%0.0138%0.38CS..EExtended strand (participates in β ladder)trans-111.4141.2176.7-78.4147.7000109.6T60 I61 I68 F72 L102 F104 M166L16-T60 CarbonylContact O-C 3.39Å; L16-T60 WeakPolarHBondContact O-CA 3.32Å; L16-I61 PolarHBondContact N-O 2.92Å; L16-I61 PolarHBondContact O-N 3.42Å; L16-I68 HydrophobicContact CD1-CB 4.43Å; L16-I68 HydrophobicContact CD1-CD1 4.16Å; L16-I68 HydrophobicContact CD1-CG1 4.48Å; L16-I68 HydrophobicContact CD1-CG2 3.21Å; L16-F72 HydrophobicContact CB-CE2 3.96Å; L16-F72 HydrophobicContact CB-CZ 4.17Å; L16-F72 HydrophobicContact CD1-CE2 3.74Å; L16-F72 HydrophobicContact CD1-CZ 4.37Å; L16-F72 HydrophobicContact CG-CE2 4.37Å; L16-L102 HydrophobicContact CD2-CD2 3.81Å; L16-F104 HydrophobicContact CD2-CE1 3.81Å; L16-F104 HydrophobicContact CD2-CZ 4.25Å; L16-M166 HydrophobicContact CD2-CE 4.47Å; L16-M166 HydrophobicContact CD2-SD 3.8Å
17R89.1Confident77.4Confident35 Ų3557.5 Ų57.513%0.13235%0.352CS..EExtended strand (participates in β ladder)trans-118.3125.8179.9-60-177.772.3-154.6-5.2108.2I58 V59 T60 L102 V103 E143 P177 Y178R17-I58 HydrophobicContact CB-CG2 4.06Å; R17-V59 CarbonylContact C-O 3.57Å; R17-V59 WeakPolarHBondContact CA-O 3.41Å; R17-T60 HydrophobicContact CG-CG2 4.2Å; R17-L102 CarbonylContact O-C 3.27Å; R17-L102 WeakPolarHBondContact O-CA 3.49Å; R17-V103 HydrophobicContact CB-CB 4.21Å; R17-V103 PolarHBondContact O-N 2.94Å; R17-E143 IonicContact CZ-OE1 3Å; R17-E143 IonicContact CZ-OE2 2.64Å; R17-E143 IonicContact NH1-OE1 2.76Å; R17-E143 PolarHBondContact NH1-OE1 2.83Å; R17-E143 IonicContact NH1-OE2 2.7Å; R17-E143 PolarHBondContact NH1-OE2 2.76Å; R17-P177 VanDerWaalsContact NH1-CA 3.26Å; R17-Y178 PolarHBondContact NH2-O 3.06Å
18L90.1Very high79.4Confident0 Ų049.8 Ų49.80%031%0.311CS..EExtended strand (participates in β ladder)trans-111.5130.9176.6-61.273.5000107.8M20 I58 V59 I61 F72 I75 R101L18-M20 HydrophobicContact CB-CE 4.04Å; L18-M20 HydrophobicContact CB-CG 4.47Å; L18-M20 HydrophobicContact CD2-CE 3.42Å; L18-M20 VanDerWaalsContact CD2-CE 3.42Å; L18-M20 HydrophobicContact CG-CE 4.4Å; L18-I58 CarbonylContact O-C 3.54Å; L18-I58 VanDerWaalsContact O-CA 3.25Å; L18-I58 WeakPolarHBondContact O-CA 3.36Å; L18-V59 HydrophobicContact CB-CB 4.33Å; L18-V59 PolarHBondContact N-O 3.35Å; L18-V59 PolarHBondContact O-N 3.38Å; L18-I61 HydrophobicContact CD1-CD1 3.7Å; L18-I61 HydrophobicContact CD1-CG1 4.09Å; L18-F72 HydrophobicContact CD1-CE1 4.02Å; L18-F72 HydrophobicContact CD1-CE2 4Å; L18-F72 HydrophobicContact CD1-CZ 3.36Å; L18-F72 HydrophobicContact CD2-CD1 4.26Å; L18-F72 HydrophobicContact CD2-CE1 3.51Å; L18-F72 HydrophobicContact CD2-CZ 3.78Å; L18-F72 HydrophobicContact CG-CE1 3.86Å; L18-F72 HydrophobicContact CG-CZ 3.7Å; L18-I75 HydrophobicContact CD2-CD1 4.23Å; L18-R101 CarbonylContact C-O 3.48Å; L18-R101 WeakPolarHBondContact CA-O 3.42Å
19L88Confident81.6Confident2 Ų249.3 Ų49.31%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-102.8104.5176.7179.972.3000109E56 I58 R101 V103 L138 Y178L19-E56 HydrophobicContact CD1-CB 4.08Å; L19-I58 HydrophobicContact CD1-CD1 4.5Å; L19-I58 HydrophobicContact CD1-CG1 3.78Å; L19-R101 HydrophobicContact CB-CG 4.49Å; L19-R101 VanDerWaalsContact CG-NH2 3.3Å; L19-R101 PolarHBondContact N-O 3.06Å; L19-R101 WeakPolarHBondContact O-CB 3.43Å; L19-R101 PolarHBondContact O-NE 2.74Å; L19-V103 HydrophobicContact CB-CG2 3.4Å; L19-V103 HydrophobicContact CD2-CG2 4.18Å; L19-V103 HydrophobicContact CG-CG2 4.31Å; L19-L138 HydrophobicContact CD2-CD2 3.89Å; L19-Y178 HydrophobicContact CD1-CD1 4.26Å; L19-Y178 HydrophobicContact CD1-CE1 4.07Å
20M86.9Confident83.5Confident6 Ų646.5 Ų46.53%0.0327%0.266CS..EExtended strand (participates in β ladder)trans-113.5158.5-175.9-65.9178.1169.700110.9L18 I28 E56 R57 V59 I75 F79 L100L18-M20 HydrophobicContact CB-CE 4.04Å; L18-M20 HydrophobicContact CB-CG 4.47Å; L18-M20 HydrophobicContact CD2-CE 3.42Å; L18-M20 VanDerWaalsContact CD2-CE 3.42Å; L18-M20 HydrophobicContact CG-CE 4.4Å; M20-I28 HydrophobicContact SD-CG1 4.44Å; M20-E56 CarbonylContact O-C 3.56Å; M20-E56 WeakPolarHBondContact O-CA 3.37Å; M20-R57 PolarHBondContact N-O 3.28Å; M20-R57 PolarHBondContact O-N 3.28Å; M20-V59 HydrophobicContact SD-CG2 3.91Å; M20-I75 HydrophobicContact CE-CG2 3.76Å; M20-F79 HydrophobicContact CE-CE2 3.42Å; M20-F79 VanDerWaalsContact CE-CE2 3.42Å; M20-F79 HydrophobicContact CE-CZ 3.52Å; M20-F79 HydrophobicContact CG-CZ 4.14Å; M20-F79 HydrophobicContact SD-CE2 3.88Å; M20-F79 HydrophobicContact SD-CZ 3.67Å; M20-L100 HydrophobicContact CE-CD2 4.17Å
21H84.4Confident85Confident72 Ų7250.9 Ų50.933%0.33328%0.281SS..EExtended strand (participates in β ladder)trans-82.3157.9171.1-153-86.7000111.1K23 E24 V25 P55H21-K23 HydrophobicContact CB-CG 4.34Å; H21-K23 PolarHBondContact O-N 3.27Å; H21-K23 VanDerWaalsContact O-N 3.11Å; H21-E24 WeakPolarHBondContact CA-OE2 3.08Å; H21-E24 WeakPolarHBondContact CB-OE2 3.24Å; H21-E24 PolarHBondContact N-OE2 2.98Å; H21-E24 PolarHBondContact O-N 3.09Å; H21-E24 VanDerWaalsContact O-N 3.08Å; H21-V25 WeakPolarHBondContact O-CG1 3.24Å; H21-V25 PolarHBondContact O-N 3.42Å; H21-P55 CarbonylContact C-O 3.55Å; H21-P55 VanDerWaalsContact CA-O 3.32Å; H21-P55 WeakPolarHBondContact CA-O 3.35Å; H21-P55 PolarHBondContact ND1-O 3.14Å
22G82.1Confident85.9Confident32 Ų3254.4 Ų54.433%0.3329%0.289SS..Hα-helixtrans-56.7-27.4-179.200000114.5V25 G26 P55G22-V25 VanDerWaalsContact O-CG1 3.3Å; G22-V25 WeakPolarHBondContact O-CG1 2.96Å; G22-G26 PolarHBondContact O-N 3.39Å; G22-P55 PolarHBondContact N-O 3.44Å
23K82.3Confident86.2Confident148 Ų14852.9 Ų52.964%0.64328%0.284SS*.Hα-helixtrans-72.7-46.3176.571.8-163.9-179.1-163.30111.4H21 G26H21-K23 HydrophobicContact CB-CG 4.34Å; H21-K23 PolarHBondContact O-N 3.27Å; H21-K23 VanDerWaalsContact O-N 3.11Å; K23-G26 PolarHBondContact O-N 3.26Å
24E83.6Confident86.5Confident41 Ų4155 Ų5519%0.19229%0.286CS..Hα-helixtrans-71.7-42.3-176-63.4164.6123.900111H21 G26 S27 I28 F79H21-E24 WeakPolarHBondContact CA-OE2 3.08Å; H21-E24 WeakPolarHBondContact CB-OE2 3.24Å; H21-E24 PolarHBondContact N-OE2 2.98Å; H21-E24 PolarHBondContact O-N 3.09Å; H21-E24 VanDerWaalsContact O-N 3.08Å; E24-G26 PolarHBondContact O-N 3.43Å; E24-S27 PolarHBondContact O-N 3.4Å; E24-I28 WeakPolarHBondContact O-CG1 3.13Å; E24-I28 PolarHBondContact O-N 3.48Å; E24-F79 HydrophobicContact CB-CE1 3.61Å; E24-F79 HydrophobicContact CB-CZ 3.62Å; E24-F79 HydrophobicContact CG-CE1 3.7Å; E24-F79 HydrophobicContact CG-CZ 4.24Å; E24-F79 WeakPolarHBondContact OE1-CE1 3.39Å
25V85.9Confident86.7Confident2 Ų255.6 Ų55.61%0.01229%0.291CS..Hα-helixtrans-63.8-31.3176.670.10000111.8H21 G22 S27 I28 I29 I49 R57 V59H21-V25 WeakPolarHBondContact O-CG1 3.24Å; H21-V25 PolarHBondContact O-N 3.42Å; G22-V25 VanDerWaalsContact O-CG1 3.3Å; G22-V25 WeakPolarHBondContact O-CG1 2.96Å; V25-S27 VanDerWaalsContact C-N 3.34Å; V25-S27 PolarHBondContact O-N 2.96Å; V25-I28 PolarHBondContact O-N 3.39Å; V25-I29 HydrophobicContact CG2-CD1 3.95Å; V25-I29 HydrophobicContact CG2-CG1 4.34Å; V25-I29 WeakPolarHBondContact O-CD1 3.3Å; V25-I29 WeakPolarHBondContact O-CG1 3.2Å; V25-I29 PolarHBondContact O-N 3.15Å; V25-I49 HydrophobicContact CG2-CG2 3.87Å; V25-R57 HydrophobicContact CG1-CB 4.44Å; V25-R57 HydrophobicContact CG1-CG 4.32Å; V25-V59 HydrophobicContact CG2-CG2 4.26Å
26G86.1Confident86.8Confident38 Ų3853.8 Ų53.839%0.39228%0.28SS..Hα-helixtrans-59.4-43.917400000112.2G22 K23 E24 I29 G30G22-G26 PolarHBondContact O-N 3.39Å; K23-G26 PolarHBondContact O-N 3.26Å; E24-G26 PolarHBondContact O-N 3.43Å; G26-I29 PolarHBondContact O-N 2.93Å; G26-G30 PolarHBondContact O-N 3.4Å
27S85.6Confident86.9Confident39 Ų3961 Ų6127%0.27331%0.311SS..Hα-helixtrans-68.6-33.3177.3-57.60000112.8E24 V25 G30 D82E24-S27 PolarHBondContact O-N 3.4Å; V25-S27 VanDerWaalsContact C-N 3.34Å; V25-S27 PolarHBondContact O-N 2.96Å; S27-G30 PolarHBondContact O-N 2.65Å; S27-D82 VanDerWaalsContact CB-OD2 3.27Å; S27-D82 WeakPolarHBondContact CB-OD2 3.36Å; S27-D82 PolarHBondContact OG-OD2 3.39Å
28I87.9Confident87Confident4 Ų465.6 Ų65.62%0.02133%0.332CS..Hα-helixtrans-71.7-36.8174.1-61.7-59.2000112.6M20 E24 V25 T35 V36 M39 I75 K78 F79M20-I28 HydrophobicContact SD-CG1 4.44Å; E24-I28 WeakPolarHBondContact O-CG1 3.13Å; E24-I28 PolarHBondContact O-N 3.48Å; V25-I28 PolarHBondContact O-N 3.39Å; I28-T35 WeakPolarHBondContact O-CB 3.34Å; I28-T35 WeakPolarHBondContact O-CG2 3.3Å; I28-V36 PolarHBondContact O-N 2.84Å; I28-M39 HydrophobicContact CD1-CE 4.39Å; I28-M39 HydrophobicContact CG2-CE 4.48Å; I28-M39 HydrophobicContact CG2-SD 3.87Å; I28-I75 HydrophobicContact CD1-CB 4.49Å; I28-I75 HydrophobicContact CD1-CG2 4.06Å; I28-K78 HydrophobicContact CD1-CB 3.8Å; I28-F79 HydrophobicContact CD1-CD2 3.62Å; I28-F79 HydrophobicContact CD1-CE2 3.54Å; I28-F79 HydrophobicContact CG1-CD2 4.14Å; I28-F79 HydrophobicContact CG1-CE2 3.54Å; I28-F79 HydrophobicContact CG1-CZ 4.38Å
29I88.8Confident87Confident44 Ų4465.9 Ų65.923%0.22633%0.333CS..Hα-helixtrans-65.9-43.9173.3-66.1163000109.6V25 G26 G33 T35 V36 I49V25-I29 HydrophobicContact CG2-CD1 3.95Å; V25-I29 HydrophobicContact CG2-CG1 4.34Å; V25-I29 WeakPolarHBondContact O-CD1 3.3Å; V25-I29 WeakPolarHBondContact O-CG1 3.2Å; V25-I29 PolarHBondContact O-N 3.15Å; G26-I29 PolarHBondContact O-N 2.93Å; I29-G33 CarbonylContact O-C 3.57Å; I29-G33 VanDerWaalsContact O-C 3.27Å; I29-G33 WeakPolarHBondContact O-CA 3.43Å; I29-T35 PolarHBondContact O-N 3.42Å; I29-V36 HydrophobicContact CB-CG1 4.46Å; I29-V36 HydrophobicContact CG2-CG1 4.13Å; I29-V36 PolarHBondContact O-N 3.06Å; I29-V36 VanDerWaalsContact O-N 3.14Å; I29-I49 HydrophobicContact CD1-CD1 4.17Å; I29-I49 HydrophobicContact CG1-CD1 3.68Å
30G85.6Confident87.1Confident19 Ų1972.5 Ų72.520%0.19636%0.358CS..  trans76169.9-176.800000112.9G26 S27 K32 G33G26-G30 PolarHBondContact O-N 3.4Å; S27-G30 PolarHBondContact O-N 2.65Å; G30-K32 PolarHBondContact O-N 3.03Å; G30-G33 PolarHBondContact O-N 3.24Å
31K86.7Confident87.3Confident195 Ų19579.8 Ų79.885%0.84839%0.392SS*.G310 helixtrans-59.9122.4178.2-65.7179.6-176.9175.80109.2G33 E34K31-G33 PolarHBondContact O-N 3.2Å; K31-E34 PolarHBondContact O-N 3.29Å
32K85.3Confident87.6Confident221 Ų22179.9 Ų79.996%0.96139%0.393SS*.G310 helixtrans62.117.5-175.8-54.9-179.6175.9178.50115.8G30 E34G30-K32 PolarHBondContact O-N 3.03Å; K32-E34 VanDerWaalsContact C-N 3.27Å; K32-E34 PolarHBondContact O-N 3.33Å
33G86.2Confident87.9Confident19 Ų1978.7 Ų78.720%0.19638%0.38CS..G310 helixtrans75.313.1-179.700000114.6I29 G30 K31 T35 V36 K37I29-G33 CarbonylContact O-C 3.57Å; I29-G33 VanDerWaalsContact O-C 3.27Å; I29-G33 WeakPolarHBondContact O-CA 3.43Å; G30-G33 PolarHBondContact O-N 3.24Å; K31-G33 PolarHBondContact O-N 3.2Å; G33-T35 PolarHBondContact O-N 3.15Å; G33-V36 VanDerWaalsContact O-CG1 3.23Å; G33-V36 WeakPolarHBondContact O-CG1 3.44Å; G33-K37 WeakPolarHBondContact O-CB 3.35Å; G33-K37 PolarHBondContact O-N 2.97Å; G33-K37 VanDerWaalsContact O-N 3.1Å
34E89.9Confident88.2Confident150 Ų15074.4 Ų74.470%0.70138%0.377SS*.Hα-helixtrans-64.6-40.2-178.2-173178.690.900112.1K31 K32 K37 K38K31-E34 PolarHBondContact O-N 3.29Å; K32-E34 VanDerWaalsContact C-N 3.27Å; K32-E34 PolarHBondContact O-N 3.33Å; E34-K37 PolarHBondContact O-N 3.44Å; E34-K38 WeakPolarHBondContact O-CB 3.35Å; E34-K38 PolarHBondContact O-N 3.44Å
35T89.8Confident88.4Confident31 Ų3172.6 Ų72.619%0.1937%0.369CS..Hα-helixtrans-67.4-47.9-178.7-590000111.2I28 I29 G33 K37 K38 M39 K78I28-T35 WeakPolarHBondContact O-CB 3.34Å; I28-T35 WeakPolarHBondContact O-CG2 3.3Å; I29-T35 PolarHBondContact O-N 3.42Å; G33-T35 PolarHBondContact O-N 3.15Å; T35-K37 VanDerWaalsContact C-N 3.28Å; T35-K37 PolarHBondContact O-N 3.45Å; T35-K38 PolarHBondContact O-N 2.97Å; T35-M39 HydrophobicContact CG2-CG 4.42Å; T35-M39 HydrophobicContact CG2-SD 4.08Å; T35-M39 WeakPolarHBondContact O-CB 3.35Å; T35-M39 VanDerWaalsContact O-CG 3.25Å; T35-M39 WeakPolarHBondContact O-CG 3.41Å; T35-M39 PolarHBondContact O-N 3.01Å; T35-K78 HydrophobicContact CG2-CD 4.06Å; T35-K78 HydrophobicContact CG2-CG 4.28Å
36V90.1Very high88.6Confident30 Ų3080.5 Ų80.518%0.18240%0.399CS..Hα-helixtrans-63.6-35.1176.561.20000112.2I28 I29 G33 M39 R40 I47 I49I28-V36 PolarHBondContact O-N 2.84Å; I29-V36 HydrophobicContact CB-CG1 4.46Å; I29-V36 HydrophobicContact CG2-CG1 4.13Å; I29-V36 PolarHBondContact O-N 3.06Å; I29-V36 VanDerWaalsContact O-N 3.14Å; G33-V36 VanDerWaalsContact O-CG1 3.23Å; G33-V36 WeakPolarHBondContact O-CG1 3.44Å; V36-M39 PolarHBondContact O-N 3.14Å; V36-R40 WeakPolarHBondContact O-CB 3.29Å; V36-R40 PolarHBondContact O-N 3.27Å; V36-I47 HydrophobicContact CG2-CG2 4.38Å; V36-I49 HydrophobicContact CG2-CD1 4.06Å
37K90.5Very high88.9Confident153 Ų15379.6 Ų79.667%0.66539%0.385SS*.Hα-helixtrans-63.1-48.5175.1-172.4179.4178.6-174.70110.8G33 E34 T35 M39 R40 E41G33-K37 WeakPolarHBondContact O-CB 3.35Å; G33-K37 PolarHBondContact O-N 2.97Å; G33-K37 VanDerWaalsContact O-N 3.1Å; E34-K37 PolarHBondContact O-N 3.44Å; T35-K37 VanDerWaalsContact C-N 3.28Å; T35-K37 PolarHBondContact O-N 3.45Å; K37-M39 VanDerWaalsContact C-N 3.34Å; K37-M39 PolarHBondContact O-N 3.33Å; K37-R40 PolarHBondContact O-N 3.17Å; K37-E41 PolarHBondContact O-N 3.41Å
38K90.8Very high89Confident132 Ų13282.1 Ų82.157%0.57440%0.395SS*.Hα-helixtrans-59.9-44.3175.1-176.1-180176-176.30111.5E34 T35 R40 E41 E42E34-K38 WeakPolarHBondContact O-CB 3.35Å; E34-K38 PolarHBondContact O-N 3.44Å; T35-K38 PolarHBondContact O-N 2.97Å; K38-R40 VanDerWaalsContact C-N 3.32Å; K38-R40 PolarHBondContact O-N 2.78Å; K38-E41 PolarHBondContact O-N 3.04Å; K38-E42 WeakPolarHBondContact CE-OE2 3.35Å; K38-E42 IonicContact NZ-OE2 2.63Å; K38-E42 VanDerWaalsContact O-CB 3.29Å; K38-E42 WeakPolarHBondContact O-CB 3.48Å; K38-E42 PolarHBondContact O-N 2.97Å
39M91.1Very high89.1Confident5 Ų583.8 Ų83.83%0.02540%0.404CS..Hα-helixtrans-61.5-40.9178.6-72.3175123.700112.1I28 T35 V36 K37 S43 I47 M74 I75 K78I28-M39 HydrophobicContact CD1-CE 4.39Å; I28-M39 HydrophobicContact CG2-CE 4.48Å; I28-M39 HydrophobicContact CG2-SD 3.87Å; T35-M39 HydrophobicContact CG2-CG 4.42Å; T35-M39 HydrophobicContact CG2-SD 4.08Å; T35-M39 WeakPolarHBondContact O-CB 3.35Å; T35-M39 VanDerWaalsContact O-CG 3.25Å; T35-M39 WeakPolarHBondContact O-CG 3.41Å; T35-M39 PolarHBondContact O-N 3.01Å; V36-M39 PolarHBondContact O-N 3.14Å; K37-M39 VanDerWaalsContact C-N 3.34Å; K37-M39 PolarHBondContact O-N 3.33Å; M39-S43 WeakPolarHBondContact O-CB 3.49Å; M39-S43 PolarHBondContact O-N 3.02Å; M39-S43 PolarHBondContact O-OG 3.11Å; M39-I47 HydrophobicContact CB-CD1 3.88Å; M39-M74 HydrophobicContact CB-CE 4.11Å; M39-M74 VanDerWaalsContact CE-C 3.42Å; M39-M74 HydrophobicContact CE-CB 3.6Å; M39-M74 HydrophobicContact CG-CB 4.37Å; M39-M74 HydrophobicContact CG-CE 4.25Å; M39-M74 HydrophobicContact CG-SD 4.21Å; M39-M74 WeakPolarHBondContact O-CE 3.04Å; M39-I75 VanDerWaalsContact CE-CA 3.48Å; M39-I75 HydrophobicContact CE-CB 4.05Å; M39-I75 HydrophobicContact CE-CG1 3.37Å; M39-I75 VanDerWaalsContact CE-N 3.27Å; M39-I75 HydrophobicContact SD-CG1 4.4Å; M39-K78 HydrophobicContact CE-CG 4.37Å
40R89.6Confident88.7Confident141 Ų14183.4 Ų83.453%0.53241%0.405SS..Hα-helixtrans-65-39.7176.7-175.6175.8178.8-175.5-4.5112.2V36 K37 K38 G44 A45 I47V36-R40 WeakPolarHBondContact O-CB 3.29Å; V36-R40 PolarHBondContact O-N 3.27Å; K37-R40 PolarHBondContact O-N 3.17Å; K38-R40 VanDerWaalsContact C-N 3.32Å; K38-R40 PolarHBondContact O-N 2.78Å; R40-G44 PolarHBondContact O-N 3.06Å; R40-A45 WeakPolarHBondContact CG-O 3.09Å; R40-I47 HydrophobicContact CB-CD1 4.41Å
41E91Very high88Confident159 Ų15991.5 Ų91.574%0.74344%0.438SS*.Hα-helixtrans-71.9-47.4178.9-174.7143.964.200112.1K37 K38 G44K37-E41 PolarHBondContact O-N 3.41Å; K38-E41 PolarHBondContact O-N 3.04Å; E41-G44 PolarHBondContact O-N 3.31Å
42E90.7Very high86.6Confident74 Ų7483.5 Ų83.535%0.34641%0.41SS..Hα-helixtrans-75.1-32-175.6-160.3-177.3120.500112.6K38 R70 M74K38-E42 WeakPolarHBondContact CE-OE2 3.35Å; K38-E42 IonicContact NZ-OE2 2.63Å; K38-E42 VanDerWaalsContact O-CB 3.29Å; K38-E42 WeakPolarHBondContact O-CB 3.48Å; K38-E42 PolarHBondContact O-N 2.97Å; E42-R70 VanDerWaalsContact O-CD 3.29Å; E42-R70 WeakPolarHBondContact O-CD 3.46Å; E42-R70 PolarHBondContact O-NE 2.96Å; E42-R70 IonicContact OE1-NE 3.93Å; E42-R70 IonicContact OE1-NH2 3.89Å; E42-M74 HydrophobicContact CB-CE 4.06Å; E42-M74 HydrophobicContact CB-SD 3.93Å; E42-M74 HydrophobicContact CG-SD 4.19Å
43S89.1Confident85.3Confident8 Ų878.6 Ų78.66%0.05640%0.404CS..Hα-helixtrans-80.9-21.7173.966.90000113.6M39 A45 G67M39-S43 WeakPolarHBondContact O-CB 3.49Å; M39-S43 PolarHBondContact O-N 3.02Å; M39-S43 PolarHBondContact O-OG 3.11Å; S43-A45 PolarHBondContact O-N 2.78Å; S43-A45 PolarHBondContact OG-N 3.49Å; S43-G67 WeakPolarHBondContact CB-O 3.37Å; S43-G67 WeakPolarHBondContact O-CA 3.44Å
44G87.4Confident84.1Confident58 Ų5878.6 Ų78.660%0.59840%0.401SS*.  trans59.89.9-169.300000114.1R40 E41R40-G44 PolarHBondContact O-N 3.06Å; E41-G44 PolarHBondContact O-N 3.31Å
45A89.3Confident83.3Confident2 Ų275.4 Ų75.42%0.01739%0.393CS..SBendtrans-97.2147.4179.100000110.7R40 S43 I47 I61R40-A45 WeakPolarHBondContact CG-O 3.09Å; S43-A45 PolarHBondContact O-N 2.78Å; S43-A45 PolarHBondContact OG-N 3.49Å; A45-I47 PolarHBondContact O-N 3.28Å; A45-I61 HydrophobicContact CB-CG2 3.87Å
46R89.4Confident82.8Confident168 Ų16876.2 Ų76.263%0.63440%0.395SS*.EExtended strand (participates in β ladder)trans-79.4104.4174.4-171.5175.6-175.8-1801.3109.6I61 T62R46-I61 WeakPolarHBondContact O-CA 3.17Å; R46-T62 WeakPolarHBondContact CA-O 3.2Å; R46-T62 WeakPolarHBondContact CB-O 3.39Å; R46-T62 PolarHBondContact N-O 2.88Å; R46-T62 PolarHBondContact O-N 3.06Å
47I91.5Very high82.6Confident19 Ų1978.2 Ų78.210%0.09740%0.399CS..EExtended strand (participates in β ladder)trans-95.2122.3175.1-53.2172.3000108.6V36 M39 R40 A45 I49 V59 I61V36-I47 HydrophobicContact CG2-CG2 4.38Å; M39-I47 HydrophobicContact CB-CD1 3.88Å; R40-I47 HydrophobicContact CB-CD1 4.41Å; A45-I47 PolarHBondContact O-N 3.28Å; I47-I49 HydrophobicContact CG2-CG1 4.47Å; I47-V59 HydrophobicContact CG2-CG1 3.72Å; I47-I61 HydrophobicContact CG1-CG1 4.35Å; I47-I61 HydrophobicContact CG1-CG2 4.31Å; I47-I61 HydrophobicContact CG2-CG1 4.42Å
48N89.2Confident82.4Confident93 Ų9371 Ų7150%0.49737%0.368SS..EExtended strand (participates in β ladder)trans-121.7132.7174.8-170.3-17.4000108.7V59 T60N48-V59 CarbonylContact O-C 3.58Å; N48-V59 WeakPolarHBondContact O-CA 3.12Å; N48-T60 PolarHBondContact N-O 3.47Å; N48-T60 PolarHBondContact O-N 3.38Å
49I89Confident82.4Confident39 Ų3964.9 Ų64.920%0.234%0.341CS..EExtended strand (participates in β ladder)trans-114122.9-178.6-56.8172.5000106.8V25 I29 V36 I47 E51 V59V25-I49 HydrophobicContact CG2-CG2 3.87Å; I29-I49 HydrophobicContact CD1-CD1 4.17Å; I29-I49 HydrophobicContact CG1-CD1 3.68Å; V36-I49 HydrophobicContact CG2-CD1 4.06Å; I47-I49 HydrophobicContact CG2-CG1 4.47Å; I49-E51 PolarHBondContact O-N 2.99Å; I49-V59 HydrophobicContact CG1-CG1 4.27Å; I49-V59 HydrophobicContact CG1-CG2 4.29Å; I49-V59 HydrophobicContact CG2-CG2 4.47Å
50S81.2Confident82.4Confident35 Ų3566.2 Ų66.225%0.24535%0.35CS..  trans-64.1124.617669.20000109.9I58S50-I58 PolarHBondContact N-O 3.36Å; S50-I58 PolarHBondContact OG-N 3.44Å; S50-I58 PolarHBondContact OG-O 3.01Å
51E69.8Low82.5Confident190 Ų19059.5 Ų59.589%0.88832%0.324SS*.  trans-82.8137.5173.7-155.2-178.3106.600110.3I49I49-E51 PolarHBondContact O-N 2.99Å
52G58.8Low82.5Confident26 Ų2654.2 Ų54.227%0.26830%0.303SS..  trans179.9149.9179.400000112.1S54 R57G52-S54 PolarHBondContact O-N 3.22Å; G52-R57 PolarHBondContact O-NH2 3Å
53S58Low82.4Confident119 Ų11951 Ų5183%0.83229%0.29SS*.SBendtrans-80.220.4172.3-169.20000112.5
54S61.2Low82.5Confident18 Ų1853.1 Ų53.113%0.12630%0.303CS..SBendtrans-93147.9177.5-58.50000109.9G52 E56 K181G52-S54 PolarHBondContact O-N 3.22Å; S54-E56 PolarHBondContact O-N 3.46Å; S54-K181 PolarHBondContact OG-O 3.03Å; S54-K181 VanDerWaalsContact OG-O 3.11Å
55P72.4Confident82.3Confident83 Ų8351.1 Ų51.154%0.53928%0.28SS..SBendtrans-64.9-18176.826.2-34.2000112.7H21 G22H21-P55 CarbonylContact C-O 3.55Å; H21-P55 VanDerWaalsContact CA-O 3.32Å; H21-P55 WeakPolarHBondContact CA-O 3.35Å; H21-P55 PolarHBondContact ND1-O 3.14Å; G22-P55 PolarHBondContact N-O 3.44Å
56E79.9Confident82.2Confident49 Ų4958.4 Ų58.423%0.22931%0.313CS..EExtended strand (participates in β ladder)trans-107.8134.8176.3-58.9-175.8125.300111L19 M20 S54 R101L19-E56 HydrophobicContact CD1-CB 4.08Å; M20-E56 CarbonylContact O-C 3.56Å; M20-E56 WeakPolarHBondContact O-CA 3.37Å; S54-E56 PolarHBondContact O-N 3.46Å; E56-R101 IonicContact OE1-CZ 2.76Å; E56-R101 VanDerWaalsContact OE1-CZ 3.31Å; E56-R101 IonicContact OE1-NH1 3.31Å; E56-R101 PolarHBondContact OE1-NH1 2.94Å; E56-R101 IonicContact OE1-NH2 3.41Å; E56-R101 PolarHBondContact OE1-NH2 3.37Å
57R84.5Confident82.2Confident72 Ų7250.7 Ų50.727%0.27229%0.286SS..EExtended strand (participates in β ladder)trans-127.1148.4176.9-61.8-161.6-177.9-171.2-6.1110.7M20 V25 G52M20-R57 PolarHBondContact N-O 3.28Å; M20-R57 PolarHBondContact O-N 3.28Å; V25-R57 HydrophobicContact CG1-CB 4.44Å; V25-R57 HydrophobicContact CG1-CG 4.32Å; G52-R57 PolarHBondContact O-NH2 3Å
58I87.6Confident82Confident2 Ų249.8 Ų49.81%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-107.1118.6178.9-54.1177.5000109.6R17 L18 L19 S50 Y178R17-I58 HydrophobicContact CB-CG2 4.06Å; L18-I58 CarbonylContact O-C 3.54Å; L18-I58 VanDerWaalsContact O-CA 3.25Å; L18-I58 WeakPolarHBondContact O-CA 3.36Å; L19-I58 HydrophobicContact CD1-CD1 4.5Å; L19-I58 HydrophobicContact CD1-CG1 3.78Å; S50-I58 PolarHBondContact N-O 3.36Å; S50-I58 PolarHBondContact OG-N 3.44Å; S50-I58 PolarHBondContact OG-O 3.01Å; I58-Y178 HydrophobicContact CD1-CD1 3.67Å; I58-Y178 HydrophobicContact CD1-CE1 4.48Å; I58-Y178 HydrophobicContact CD1-CG 4.43Å; I58-Y178 WeakPolarHBondContact CD1-O 3.4Å; I58-Y178 HydrophobicContact CG1-CD1 4.49Å
59V90.5Very high81.9Confident2 Ų247.2 Ų47.21%0.01227%0.266CS..EExtended strand (participates in β ladder)trans-93.8112.8170.2-173.70000107.9R17 L18 M20 V25 I47 N48 I49 I61R17-V59 CarbonylContact C-O 3.57Å; R17-V59 WeakPolarHBondContact CA-O 3.41Å; L18-V59 HydrophobicContact CB-CB 4.33Å; L18-V59 PolarHBondContact N-O 3.35Å; L18-V59 PolarHBondContact O-N 3.38Å; M20-V59 HydrophobicContact SD-CG2 3.91Å; V25-V59 HydrophobicContact CG2-CG2 4.26Å; I47-V59 HydrophobicContact CG2-CG1 3.72Å; N48-V59 CarbonylContact O-C 3.58Å; N48-V59 WeakPolarHBondContact O-CA 3.12Å; I49-V59 HydrophobicContact CG1-CG1 4.27Å; I49-V59 HydrophobicContact CG1-CG2 4.29Å; I49-V59 HydrophobicContact CG2-CG2 4.47Å; V59-I61 HydrophobicContact CG1-CD1 4.46Å; V59-I61 HydrophobicContact CG1-CG1 4.05Å
60T90.3Very high81.9Confident33 Ų3351.6 Ų51.620%0.20228%0.28CS..EExtended strand (participates in β ladder)trans-98.5117.4176-54.30000108.9T15 L16 R17 N48T15-T60 HydrophobicContact CG2-CG2 3.55Å; L16-T60 CarbonylContact O-C 3.39Å; L16-T60 WeakPolarHBondContact O-CA 3.32Å; R17-T60 HydrophobicContact CG-CG2 4.2Å; N48-T60 PolarHBondContact N-O 3.47Å; N48-T60 PolarHBondContact O-N 3.38Å
61I92Very high82.3Confident0 Ų049.9 Ų49.90%027%0.268CS..EExtended strand (participates in β ladder)trans-111.6114.4179.3-52.6176.9000107.4T15 L16 L18 A45 R46 I47 V59 I68 A71 F72 I75T15-I61 WeakPolarHBondContact CA-O 3.09Å; L16-I61 PolarHBondContact N-O 2.92Å; L16-I61 PolarHBondContact O-N 3.42Å; L18-I61 HydrophobicContact CD1-CD1 3.7Å; L18-I61 HydrophobicContact CD1-CG1 4.09Å; A45-I61 HydrophobicContact CB-CG2 3.87Å; R46-I61 WeakPolarHBondContact O-CA 3.17Å; I47-I61 HydrophobicContact CG1-CG1 4.35Å; I47-I61 HydrophobicContact CG1-CG2 4.31Å; I47-I61 HydrophobicContact CG2-CG1 4.42Å; V59-I61 HydrophobicContact CG1-CD1 4.46Å; V59-I61 HydrophobicContact CG1-CG1 4.05Å; I61-I68 HydrophobicContact CG2-CG1 4.31Å; I61-A71 HydrophobicContact CD1-CB 4.33Å; I61-A71 HydrophobicContact CG2-CB 4.15Å; I61-F72 HydrophobicContact CD1-CD2 4.44Å; I61-F72 HydrophobicContact CD1-CE2 4.14Å; I61-I75 HydrophobicContact CD1-CD1 3.49Å; I61-I75 VanDerWaalsContact CD1-CD1 3.49Å
62T90.3Very high83.2Confident49 Ų4940.9 Ų40.930%0.30123%0.226SC..EExtended strand (participates in β ladder)trans-117.1124.7178.2-59.50000109.5L14 T15 R46L14-T62 WeakPolarHBondContact O-CA 3.44Å; T15-T62 VanDerWaalsContact CG2-OG1 3.28Å; T15-T62 WeakPolarHBondContact CG2-OG1 3.43Å; T15-T62 VanDerWaalsContact OG1-CG2 3.3Å; T15-T62 WeakPolarHBondContact OG1-CG2 3.45Å; T15-T62 PolarHBondContact OG1-OG1 3.19Å; R46-T62 WeakPolarHBondContact CA-O 3.2Å; R46-T62 WeakPolarHBondContact CB-O 3.39Å; R46-T62 PolarHBondContact N-O 2.88Å; R46-T62 PolarHBondContact O-N 3.06Å
63G90.2Very high84.5Confident7 Ų741.8 Ų41.87%0.07223%0.228CC..EExtended strand (participates in β ladder)trans179.4-18018000000112.3T13 L14 I68T13-G63 CarbonylContact C-O 3.54Å; T13-G63 VanDerWaalsContact CA-O 3.29Å; T13-G63 WeakPolarHBondContact CA-O 3.46Å; L14-G63 PolarHBondContact N-O 3.17Å; L14-G63 PolarHBondContact O-N 3.06Å; G63-I68 VanDerWaalsContact O-CD1 3.27Å; G63-I68 WeakPolarHBondContact O-CD1 3.34Å
64P89.8Confident86Confident51 Ų5137.1 Ų37.133%0.33119%0.193SC..EExtended strand (participates in β ladder)trans-61.4151.6169.928.1-33.3000109.9V12 E66 G67 I68V12-P64 CarbonylContact O-C 3.17Å; V12-P64 WeakPolarHBondContact O-CA 3.3Å; P64-E66 PolarHBondContact O-N 2.86Å; P64-E66 VanDerWaalsContact O-N 3.11Å; P64-G67 PolarHBondContact O-N 3.42Å; P64-I68 PolarHBondContact O-N 3.45Å
65T84.4Confident87.3Confident16 Ų1636.4 Ų36.410%0.09819%0.188CC..Hα-helixtrans-42.7-45.4175.2-53.30000113L10 V12 I68 F69L10-T65 WeakPolarHBondContact O-CB 3.36Å; L10-T65 PolarHBondContact O-OG1 3.44Å; V12-T65 PolarHBondContact O-N 2.93Å; V12-T65 PolarHBondContact O-OG1 3.29Å; T65-I68 PolarHBondContact O-N 3.25Å; T65-F69 HydrophobicContact CG2-CD2 3.97Å; T65-F69 HydrophobicContact CG2-CE1 4.16Å; T65-F69 HydrophobicContact CG2-CE2 3.16Å; T65-F69 HydrophobicContact CG2-CZ 3.25Å; T65-F69 WeakPolarHBondContact O-CD2 3.46Å; T65-F69 WeakPolarHBondContact O-CG 3.49Å; T65-F69 PolarHBondContact O-N 3.01Å
66E85.9Confident88.1Confident156 Ų15632.4 Ų32.473%0.72916%0.162SC*.Hα-helixtrans-63.9-44.2179.2-157.6-174.7119.700112.6P64 I68 F69 R70P64-E66 PolarHBondContact O-N 2.86Å; P64-E66 VanDerWaalsContact O-N 3.11Å; E66-I68 VanDerWaalsContact C-N 3.35Å; E66-I68 PolarHBondContact O-N 3.47Å; E66-F69 PolarHBondContact O-N 3.43Å; E66-R70 PolarHBondContact O-N 2.92Å
67G89.1Confident88.4Confident5 Ų535.5 Ų35.55%0.05218%0.177CC..Hα-helixtrans-67-37.8178.200000112.5S43 P64 R70 A71S43-G67 WeakPolarHBondContact CB-O 3.37Å; S43-G67 WeakPolarHBondContact O-CA 3.44Å; P64-G67 PolarHBondContact O-N 3.42Å; G67-R70 PolarHBondContact O-N 3.46Å; G67-A71 WeakPolarHBondContact O-CB 3.24Å; G67-A71 PolarHBondContact O-N 3.35Å
68I88.6Confident88.6Confident0 Ų035.3 Ų35.30%018%0.178CC..Hα-helixtrans-61-48.6173.1-73.6165.8000111L14 L16 I61 G63 P64 T65 E66 R70 A71 F72L14-I68 HydrophobicContact CB-CD1 3.49Å; L14-I68 VanDerWaalsContact CB-CD1 3.49Å; L14-I68 WeakPolarHBondContact O-CD1 3.48Å; L16-I68 HydrophobicContact CD1-CB 4.43Å; L16-I68 HydrophobicContact CD1-CD1 4.16Å; L16-I68 HydrophobicContact CD1-CG1 4.48Å; L16-I68 HydrophobicContact CD1-CG2 3.21Å; I61-I68 HydrophobicContact CG2-CG1 4.31Å; G63-I68 VanDerWaalsContact O-CD1 3.27Å; G63-I68 WeakPolarHBondContact O-CD1 3.34Å; P64-I68 PolarHBondContact O-N 3.45Å; T65-I68 PolarHBondContact O-N 3.25Å; E66-I68 VanDerWaalsContact C-N 3.35Å; E66-I68 PolarHBondContact O-N 3.47Å; I68-R70 VanDerWaalsContact C-N 3.27Å; I68-R70 PolarHBondContact O-N 3.09Å; I68-A71 PolarHBondContact O-N 3.47Å; I68-F72 HydrophobicContact CG2-CD2 3.77Å; I68-F72 HydrophobicContact CG2-CE2 3.99Å; I68-F72 WeakPolarHBondContact O-CD2 3.18Å; I68-F72 PolarHBondContact O-N 3.11Å
69F86.2Confident88.5Confident40 Ų4035.6 Ų35.618%0.17518%0.179CC..Hα-helixtrans-59.2-42.2179.5-63.7-33.8000111.8T65 E66 F72 S73 R160 C163T65-F69 HydrophobicContact CG2-CD2 3.97Å; T65-F69 HydrophobicContact CG2-CE1 4.16Å; T65-F69 HydrophobicContact CG2-CE2 3.16Å; T65-F69 HydrophobicContact CG2-CZ 3.25Å; T65-F69 WeakPolarHBondContact O-CD2 3.46Å; T65-F69 WeakPolarHBondContact O-CG 3.49Å; T65-F69 PolarHBondContact O-N 3.01Å; E66-F69 PolarHBondContact O-N 3.43Å; F69-F72 PolarHBondContact O-N 3.45Å; F69-S73 WeakPolarHBondContact O-CB 3.34Å; F69-S73 PolarHBondContact O-N 2.71Å; F69-R160 HydrophobicContact CD1-CG 3.95Å; F69-R160 HydrophobicContact CE1-CB 4.2Å; F69-R160 HydrophobicContact CE1-CG 3.59Å; F69-R160 HydrophobicContact CE2-CG 4.13Å; F69-R160 HydrophobicContact CG-CG 4.43Å; F69-R160 HydrophobicContact CZ-CB 4.3Å; F69-R160 HydrophobicContact CZ-CG 3.68Å; F69-C163 HydrophobicContact CE1-CB 3.97Å; F69-C163 HydrophobicContact CZ-CB 4.25Å
70R88.8Confident88.2Confident130 Ų13038 Ų3849%0.49119%0.19SC..Hα-helixtrans-65.8-43.2177.3-162.9159.3-178.9179.5-2112.1E42 E66 G67 I68 S73 M74E42-R70 VanDerWaalsContact O-CD 3.29Å; E42-R70 WeakPolarHBondContact O-CD 3.46Å; E42-R70 PolarHBondContact O-NE 2.96Å; E42-R70 IonicContact OE1-NE 3.93Å; E42-R70 IonicContact OE1-NH2 3.89Å; E66-R70 PolarHBondContact O-N 2.92Å; G67-R70 PolarHBondContact O-N 3.46Å; I68-R70 VanDerWaalsContact C-N 3.27Å; I68-R70 PolarHBondContact O-N 3.09Å; R70-S73 PolarHBondContact O-N 3.26Å; R70-M74 HydrophobicContact CG-CE 4.4Å; R70-M74 WeakPolarHBondContact O-CG 3.38Å; R70-M74 PolarHBondContact O-N 3.17Å
71A90.4Very high87.9Confident0 Ų041.4 Ų41.40%020%0.204CC..Hα-helixtrans-58.2-49.717400000111.6I61 G67 I68 S73 M74 I75I61-A71 HydrophobicContact CD1-CB 4.33Å; I61-A71 HydrophobicContact CG2-CB 4.15Å; G67-A71 WeakPolarHBondContact O-CB 3.24Å; G67-A71 PolarHBondContact O-N 3.35Å; I68-A71 PolarHBondContact O-N 3.47Å; A71-S73 PolarHBondContact O-N 3.32Å; A71-M74 PolarHBondContact O-N 3.01Å; A71-I75 WeakPolarHBondContact O-CD1 3.18Å; A71-I75 WeakPolarHBondContact O-CG1 3.26Å; A71-I75 PolarHBondContact O-N 3.45Å
72F88.3Confident87.5Confident0 Ų044.3 Ų44.30%022%0.219CC..Hα-helixtrans-63.7-38.9179.4-92.3-88.1000113.1L16 L18 I61 I68 F69 I75 A76 L100 L102 V159L16-F72 HydrophobicContact CB-CE2 3.96Å; L16-F72 HydrophobicContact CB-CZ 4.17Å; L16-F72 HydrophobicContact CD1-CE2 3.74Å; L16-F72 HydrophobicContact CD1-CZ 4.37Å; L16-F72 HydrophobicContact CG-CE2 4.37Å; L18-F72 HydrophobicContact CD1-CE1 4.02Å; L18-F72 HydrophobicContact CD1-CE2 4Å; L18-F72 HydrophobicContact CD1-CZ 3.36Å; L18-F72 HydrophobicContact CD2-CD1 4.26Å; L18-F72 HydrophobicContact CD2-CE1 3.51Å; L18-F72 HydrophobicContact CD2-CZ 3.78Å; L18-F72 HydrophobicContact CG-CE1 3.86Å; L18-F72 HydrophobicContact CG-CZ 3.7Å; I61-F72 HydrophobicContact CD1-CD2 4.44Å; I61-F72 HydrophobicContact CD1-CE2 4.14Å; I68-F72 HydrophobicContact CG2-CD2 3.77Å; I68-F72 HydrophobicContact CG2-CE2 3.99Å; I68-F72 WeakPolarHBondContact O-CD2 3.18Å; I68-F72 PolarHBondContact O-N 3.11Å; F69-F72 PolarHBondContact O-N 3.45Å; F72-I75 PolarHBondContact O-N 2.85Å; F72-A76 WeakPolarHBondContact O-CB 3.1Å; F72-A76 PolarHBondContact O-N 3Å; F72-L100 HydrophobicContact CD1-CD1 3.86Å; F72-L100 HydrophobicContact CE1-CD1 4.11Å; F72-L102 HydrophobicContact CE1-CD2 3.75Å; F72-L102 HydrophobicContact CE1-CG 4.4Å; F72-L102 HydrophobicContact CZ-CD2 3.49Å; F72-L102 VanDerWaalsContact CZ-CD2 3.49Å; F72-V159 HydrophobicContact CB-CG1 4.49Å; F72-V159 HydrophobicContact CD1-CG1 4.28Å; F72-V159 HydrophobicContact CD1-CG2 3.73Å; F72-V159 HydrophobicContact CD2-CG1 4.05Å; F72-V159 HydrophobicContact CE1-CG2 3.94Å; F72-V159 HydrophobicContact CE2-CG1 4.31Å; F72-V159 HydrophobicContact CG-CG1 4.02Å; F72-V159 HydrophobicContact CG-CG2 4.24Å
73S86.9Confident87.1Confident45 Ų4543.8 Ų43.832%0.31521%0.214SC..Hα-helixtrans-63.3-43.1176.7-165.10000111.3F69 R70 A71 Q77F69-S73 WeakPolarHBondContact O-CB 3.34Å; F69-S73 PolarHBondContact O-N 2.71Å; R70-S73 PolarHBondContact O-N 3.26Å; A71-S73 PolarHBondContact O-N 3.32Å; S73-Q77 WeakPolarHBondContact O-CG 3.35Å; S73-Q77 PolarHBondContact O-N 3.02Å; S73-Q77 VanDerWaalsContact O-N 3.09Å
74M88.3Confident86.7Confident21 Ų2145.9 Ų45.910%0.10323%0.226CC..Hα-helixtrans-65.1-40.9174.6-71.6-172-72.400112.1M39 E42 R70 A71 Q77 K78M39-M74 HydrophobicContact CB-CE 4.11Å; M39-M74 VanDerWaalsContact CE-C 3.42Å; M39-M74 HydrophobicContact CE-CB 3.6Å; M39-M74 HydrophobicContact CG-CB 4.37Å; M39-M74 HydrophobicContact CG-CE 4.25Å; M39-M74 HydrophobicContact CG-SD 4.21Å; M39-M74 WeakPolarHBondContact O-CE 3.04Å; E42-M74 HydrophobicContact CB-CE 4.06Å; E42-M74 HydrophobicContact CB-SD 3.93Å; E42-M74 HydrophobicContact CG-SD 4.19Å; R70-M74 HydrophobicContact CG-CE 4.4Å; R70-M74 WeakPolarHBondContact O-CG 3.38Å; R70-M74 PolarHBondContact O-N 3.17Å; A71-M74 PolarHBondContact O-N 3.01Å; M74-Q77 PolarHBondContact O-N 3.13Å; M74-K78 WeakPolarHBondContact O-CB 3.49Å; M74-K78 WeakPolarHBondContact O-CG 3.29Å; M74-K78 PolarHBondContact O-N 3.05Å
75I89.9Confident86.3Confident3 Ų346.7 Ų46.72%0.01524%0.236CC..Hα-helixtrans-61.2-51.9176.7-68.8164.3000109.6L18 M20 I28 M39 I61 A71 F72 Q77 K78 F79 L100L18-I75 HydrophobicContact CD2-CD1 4.23Å; M20-I75 HydrophobicContact CE-CG2 3.76Å; I28-I75 HydrophobicContact CD1-CB 4.49Å; I28-I75 HydrophobicContact CD1-CG2 4.06Å; M39-I75 VanDerWaalsContact CE-CA 3.48Å; M39-I75 HydrophobicContact CE-CB 4.05Å; M39-I75 HydrophobicContact CE-CG1 3.37Å; M39-I75 VanDerWaalsContact CE-N 3.27Å; M39-I75 HydrophobicContact SD-CG1 4.4Å; I61-I75 HydrophobicContact CD1-CD1 3.49Å; I61-I75 VanDerWaalsContact CD1-CD1 3.49Å; A71-I75 WeakPolarHBondContact O-CD1 3.18Å; A71-I75 WeakPolarHBondContact O-CG1 3.26Å; A71-I75 PolarHBondContact O-N 3.45Å; F72-I75 PolarHBondContact O-N 2.85Å; I75-Q77 VanDerWaalsContact C-N 3.3Å; I75-Q77 PolarHBondContact O-N 2.77Å; I75-K78 PolarHBondContact O-N 2.71Å; I75-K78 VanDerWaalsContact O-N 3.11Å; I75-F79 HydrophobicContact CG2-CD2 3.68Å; I75-F79 HydrophobicContact CG2-CE2 3.64Å; I75-F79 VanDerWaalsContact O-CD2 3.31Å; I75-F79 WeakPolarHBondContact O-CD2 3.48Å; I75-F79 PolarHBondContact O-N 2.65Å; I75-L100 HydrophobicContact CG2-CD2 4.09Å
76A87.3Confident85.7Confident0 Ų048.9 Ų48.90%026%0.256CS..Hα-helixtrans-59.7-39.9-178.600000112.3F72 E80 P152 I155F72-A76 WeakPolarHBondContact O-CB 3.1Å; F72-A76 PolarHBondContact O-N 3Å; A76-E80 PolarHBondContact O-N 2.79Å; A76-P152 HydrophobicContact CB-CB 3.86Å; A76-I155 HydrophobicContact CB-CG2 4.47Å
77Q87.1Confident85Confident114 Ų11443.4 Ų43.453%0.53323%0.231SC..Hα-helixtrans-64.4-44.9173.8-76.3-171.1-2700112.4S73 M74 I75 F79 E80 E81S73-Q77 WeakPolarHBondContact O-CG 3.35Å; S73-Q77 PolarHBondContact O-N 3.02Å; S73-Q77 VanDerWaalsContact O-N 3.09Å; M74-Q77 PolarHBondContact O-N 3.13Å; I75-Q77 VanDerWaalsContact C-N 3.3Å; I75-Q77 PolarHBondContact O-N 2.77Å; Q77-F79 VanDerWaalsContact C-N 3.32Å; Q77-F79 PolarHBondContact O-N 2.98Å; Q77-E80 PolarHBondContact O-N 2.99Å; Q77-E80 VanDerWaalsContact O-N 3.14Å; Q77-E81 WeakPolarHBondContact O-CG 3.38Å; Q77-E81 PolarHBondContact O-N 2.97Å
78K87.7Confident83.8Confident68 Ų6849.1 Ų49.130%0.29627%0.265SS..Hα-helixtrans-62.7-38.8178.1-83.3-75.1163.8-1310112.7I28 T35 M39 M74 I75 E81 D82I28-K78 HydrophobicContact CD1-CB 3.8Å; T35-K78 HydrophobicContact CG2-CD 4.06Å; T35-K78 HydrophobicContact CG2-CG 4.28Å; M39-K78 HydrophobicContact CE-CG 4.37Å; M74-K78 WeakPolarHBondContact O-CB 3.49Å; M74-K78 WeakPolarHBondContact O-CG 3.29Å; M74-K78 PolarHBondContact O-N 3.05Å; I75-K78 PolarHBondContact O-N 2.71Å; I75-K78 VanDerWaalsContact O-N 3.11Å; K78-E81 IonicContact NZ-OE1 3.86Å; K78-E81 PolarHBondContact NZ-OE1 3.38Å; K78-E81 IonicContact NZ-OE2 3.76Å; K78-E81 PolarHBondContact NZ-OE2 3.44Å; K78-E81 PolarHBondContact O-N 2.89Å; K78-D82 WeakPolarHBondContact O-CB 3.41Å; K78-D82 PolarHBondContact O-N 3.43Å
79F86Confident82.4Confident8 Ų856.4 Ų56.44%0.03530%0.304CS..Hα-helixtrans-63.7-42.9172.3-91.3-103.4000111.9M20 E24 I28 I75 Q77 D82 I83 V98 L100M20-F79 HydrophobicContact CE-CE2 3.42Å; M20-F79 VanDerWaalsContact CE-CE2 3.42Å; M20-F79 HydrophobicContact CE-CZ 3.52Å; M20-F79 HydrophobicContact CG-CZ 4.14Å; M20-F79 HydrophobicContact SD-CE2 3.88Å; M20-F79 HydrophobicContact SD-CZ 3.67Å; E24-F79 HydrophobicContact CB-CE1 3.61Å; E24-F79 HydrophobicContact CB-CZ 3.62Å; E24-F79 HydrophobicContact CG-CE1 3.7Å; E24-F79 HydrophobicContact CG-CZ 4.24Å; E24-F79 WeakPolarHBondContact OE1-CE1 3.39Å; I28-F79 HydrophobicContact CD1-CD2 3.62Å; I28-F79 HydrophobicContact CD1-CE2 3.54Å; I28-F79 HydrophobicContact CG1-CD2 4.14Å; I28-F79 HydrophobicContact CG1-CE2 3.54Å; I28-F79 HydrophobicContact CG1-CZ 4.38Å; I75-F79 HydrophobicContact CG2-CD2 3.68Å; I75-F79 HydrophobicContact CG2-CE2 3.64Å; I75-F79 VanDerWaalsContact O-CD2 3.31Å; I75-F79 WeakPolarHBondContact O-CD2 3.48Å; I75-F79 PolarHBondContact O-N 2.65Å; Q77-F79 VanDerWaalsContact C-N 3.32Å; Q77-F79 PolarHBondContact O-N 2.98Å; F79-D82 PolarHBondContact O-N 2.94Å; F79-I83 WeakPolarHBondContact O-CB 2.92Å; F79-I83 WeakPolarHBondContact O-CG1 3.29Å; F79-I83 PolarHBondContact O-N 2.95Å; F79-V98 HydrophobicContact CB-CG1 3.57Å; F79-V98 HydrophobicContact CB-CG2 4.37Å; F79-V98 HydrophobicContact CD1-CG1 4.48Å; F79-V98 HydrophobicContact CG-CG1 4.23Å; F79-L100 HydrophobicContact CD2-CD2 4.18Å; F79-L100 HydrophobicContact CE1-CD2 4.47Å; F79-L100 HydrophobicContact CE2-CD2 4.15Å; F79-L100 HydrophobicContact CG-CD2 4.39Å; F79-L100 HydrophobicContact CZ-CD2 4.3Å
80E84.5Confident81.1Confident52 Ų5257.7 Ų57.724%0.24332%0.318CS..Hα-helixtrans-62.9-43.4177-167.2177.2109.500111.6A76 Q77 T84 K95 V98 P152A76-E80 PolarHBondContact O-N 2.79Å; Q77-E80 PolarHBondContact O-N 2.99Å; Q77-E80 VanDerWaalsContact O-N 3.14Å; E80-T84 VanDerWaalsContact O-CB 3.26Å; E80-T84 WeakPolarHBondContact O-CB 3.12Å; E80-T84 PolarHBondContact O-N 3.02Å; E80-T84 PolarHBondContact O-OG1 2.72Å; E80-K95 IonicContact OE1-NZ 2.78Å; E80-K95 PolarHBondContact OE1-NZ 3.43Å; E80-V98 HydrophobicContact CB-CG2 3.65Å; E80-V98 HydrophobicContact CG-CG2 4.18Å; E80-P152 WeakPolarHBondContact OE2-CD 3.08Å; E80-P152 WeakPolarHBondContact OE2-CG 3.47Å
81E85.1Confident79.4Confident105 Ų10560 Ų6049%0.49134%0.34SS..Hα-helixtrans-60.5-44.7174.9-75.2-17990.300111.7Q77 K78 T84 A85Q77-E81 WeakPolarHBondContact O-CG 3.38Å; Q77-E81 PolarHBondContact O-N 2.97Å; K78-E81 IonicContact NZ-OE1 3.86Å; K78-E81 PolarHBondContact NZ-OE1 3.38Å; K78-E81 IonicContact NZ-OE2 3.76Å; K78-E81 PolarHBondContact NZ-OE2 3.44Å; K78-E81 PolarHBondContact O-N 2.89Å; E81-T84 PolarHBondContact O-N 2.96Å; E81-A85 WeakPolarHBondContact O-CB 3.44Å; E81-A85 PolarHBondContact O-N 3.44Å
82D83.6Confident77.6Confident61 Ų6164.2 Ų64.233%0.32637%0.366SS..Hα-helixtrans-63.6-47179.3-174.5-101.6000111.9S27 K78 F79 T84 A85 A86S27-D82 VanDerWaalsContact CB-OD2 3.27Å; S27-D82 WeakPolarHBondContact CB-OD2 3.36Å; S27-D82 PolarHBondContact OG-OD2 3.39Å; K78-D82 WeakPolarHBondContact O-CB 3.41Å; K78-D82 PolarHBondContact O-N 3.43Å; F79-D82 PolarHBondContact O-N 2.94Å; D82-T84 VanDerWaalsContact C-N 3.33Å; D82-T84 PolarHBondContact O-N 2.73Å; D82-A85 PolarHBondContact O-N 3.21Å; D82-A86 WeakPolarHBondContact O-CB 3.39Å; D82-A86 PolarHBondContact O-N 2.88Å
83I81.5Confident75.9Confident38 Ų3871.2 Ų71.220%0.19541%0.409CS..Hα-helixtrans-60.5-45175.6-67.7168.1000110.1F79 A86 M87 P96 V98F79-I83 WeakPolarHBondContact O-CB 2.92Å; F79-I83 WeakPolarHBondContact O-CG1 3.29Å; F79-I83 PolarHBondContact O-N 2.95Å; I83-A86 PolarHBondContact O-N 3.06Å; I83-M87 VanDerWaalsContact O-CB 3.29Å; I83-M87 WeakPolarHBondContact O-CB 3.11Å; I83-M87 PolarHBondContact O-N 2.88Å; I83-P96 HydrophobicContact CG2-CB 3.91Å; I83-P96 HydrophobicContact CG2-CG 3.52Å; I83-V98 HydrophobicContact CD1-CG2 4.25Å
84T81.4Confident74.4Confident51 Ų5173 Ų7331%0.31342%0.421SS..Hα-helixtrans-66.9-40.3179.6-560000111.5E80 E81 D82 M87 T88E80-T84 VanDerWaalsContact O-CB 3.26Å; E80-T84 WeakPolarHBondContact O-CB 3.12Å; E80-T84 PolarHBondContact O-N 3.02Å; E80-T84 PolarHBondContact O-OG1 2.72Å; E81-T84 PolarHBondContact O-N 2.96Å; D82-T84 VanDerWaalsContact C-N 3.33Å; D82-T84 PolarHBondContact O-N 2.73Å; T84-M87 PolarHBondContact O-N 3.34Å; T84-T88 PolarHBondContact O-N 3.3Å; T84-T88 PolarHBondContact O-OG1 2.91Å
85A80.8Confident73.3Confident67 Ų6778.5 Ų78.555%0.55445%0.445SS*.Hα-helixtrans-67.4-39.8177.900000112E81 D82 M87E81-A85 WeakPolarHBondContact O-CB 3.44Å; E81-A85 PolarHBondContact O-N 3.44Å; D82-A85 PolarHBondContact O-N 3.21Å; A85-M87 VanDerWaalsContact C-N 3.26Å; A85-M87 PolarHBondContact O-N 2.85Å
86A73.1Confident72.3Confident62 Ų6280.9 Ų80.951%0.51246%0.46SS..Hα-helixtrans-64.1-34.117200000111.7D82 I83 N89D82-A86 WeakPolarHBondContact O-CB 3.39Å; D82-A86 PolarHBondContact O-N 2.88Å; I83-A86 PolarHBondContact O-N 3.06Å; A86-N89 PolarHBondContact O-N 3.31Å
87M70.8Confident71.8Confident41 Ų4184.5 Ų84.520%0.20248%0.484CS..Hα-helixtrans-78.7-29-179.5-159.6163.5-145.300113.8I83 T84 A85 N89 S90 V92 S94 P96I83-M87 VanDerWaalsContact O-CB 3.29Å; I83-M87 WeakPolarHBondContact O-CB 3.11Å; I83-M87 PolarHBondContact O-N 2.88Å; T84-M87 PolarHBondContact O-N 3.34Å; A85-M87 VanDerWaalsContact C-N 3.26Å; A85-M87 PolarHBondContact O-N 2.85Å; M87-N89 PolarHBondContact O-N 2.96Å; M87-S90 CarbonylContact O-C 3.56Å; M87-S90 PolarHBondContact O-N 3.48Å; M87-V92 HydrophobicContact CE-CB 3.65Å; M87-V92 HydrophobicContact CE-CG1 3.53Å; M87-V92 WeakPolarHBondContact CE-O 3.32Å; M87-S94 WeakPolarHBondContact CE-O 3.4Å; M87-P96 HydrophobicContact CE-CG 4.12Å; M87-P96 WeakPolarHBondContact SD-CD 3.38Å; M87-P96 HydrophobicContact SD-CG 4.03Å
88T63.2Low71.7Confident126 Ų12679.1 Ų79.177%0.77346%0.459SS*.Hα-helixtrans-56.6-22.7170.6-70.70000112.7T84T84-T88 PolarHBondContact O-N 3.3Å; T84-T88 PolarHBondContact O-OG1 2.91Å
89N60.6Low71.7Confident153 Ų15378.6 Ų78.682%0.81846%0.461SS*.THydrogen-bonded Turntrans-88.9-1.6176.8-139.18.7000113.7A86 M87A86-N89 PolarHBondContact O-N 3.31Å; M87-N89 PolarHBondContact O-N 2.96Å
90S57.5Low71.9Confident67 Ų6778.3 Ų78.347%0.46946%0.46SS..SBendtrans-139.4112.4-177.5-63.90000108.9M87 V92M87-S90 CarbonylContact O-C 3.56Å; M87-S90 PolarHBondContact O-N 3.48Å; S90-V92 PolarHBondContact O-N 3.43Å
91N52.9Low72.1Confident178 Ų17879.1 Ų79.195%0.95246%0.461SS*.  trans-64.644.6-169.6-15731.4000115.9
92V52.7Low72.3Confident89 Ų8974.1 Ų74.154%0.53944%0.437SS..  trans-107.5128.7-174.5-179.20000108.9M87 S90 S94M87-V92 HydrophobicContact CE-CB 3.65Å; M87-V92 HydrophobicContact CE-CG1 3.53Å; M87-V92 WeakPolarHBondContact CE-O 3.32Å; S90-V92 PolarHBondContact O-N 3.43Å; V92-S94 PolarHBondContact O-N 3.29Å
93T53.7Low72.6Confident147 Ų14771.4 Ų71.490%0.90242%0.423SS*.  trans-90.113.4-165.690000115.2
94S55.3Low72.8Confident83 Ų8369.7 Ų69.758%0.5841%0.414SS*.  trans-120.396.1-170.2-470000111.1M87 V92 P96M87-S94 WeakPolarHBondContact CE-O 3.4Å; V92-S94 PolarHBondContact O-N 3.29Å; S94-P96 WeakPolarHBondContact O-CD 3.49Å
95K64.8Low72.7Confident135 Ų13568.2 Ų68.259%0.58741%0.405SS*.  trans-53.5108177.5-140.4-173-171.4-1640109.6E80E80-K95 IonicContact OE1-NZ 2.78Å; E80-K95 PolarHBondContact OE1-NZ 3.43Å
96P69.3Low72.4Confident53 Ų5366.3 Ų66.334%0.34439%0.392SS..PPolyproline II helixtrans-68.6141.3-177.1-13.827.7000109.2I83 M87 S94I83-P96 HydrophobicContact CG2-CB 3.91Å; I83-P96 HydrophobicContact CG2-CG 3.52Å; M87-P96 HydrophobicContact CE-CG 4.12Å; M87-P96 WeakPolarHBondContact SD-CD 3.38Å; M87-P96 HydrophobicContact SD-CG 4.03Å; S94-P96 WeakPolarHBondContact O-CD 3.49Å
97P76.1Confident72.7Confident76 Ų7665.6 Ų65.649%0.49438%0.384SS..PPolyproline II helixtrans-64.1141.617426.9-32.8000110T99P97-T99 PolarHBondContact O-N 3.1Å
98V85.6Confident73.1Confident1 Ų164.2 Ų64.21%0.00638%0.377CS..EExtended strand (participates in β ladder)trans-66.2134.5172.6174.60000108.2F79 E80 I83 L100 S149 G150 I155F79-V98 HydrophobicContact CB-CG1 3.57Å; F79-V98 HydrophobicContact CB-CG2 4.37Å; F79-V98 HydrophobicContact CD1-CG1 4.48Å; F79-V98 HydrophobicContact CG-CG1 4.23Å; E80-V98 HydrophobicContact CB-CG2 3.65Å; E80-V98 HydrophobicContact CG-CG2 4.18Å; I83-V98 HydrophobicContact CD1-CG2 4.25Å; V98-L100 HydrophobicContact CG1-CD2 4.48Å; V98-S149 CarbonylContact O-C 3.54Å; V98-S149 VanDerWaalsContact O-CA 3.24Å; V98-S149 WeakPolarHBondContact O-CA 3.19Å; V98-G150 PolarHBondContact N-O 3.5Å; V98-G150 PolarHBondContact O-N 2.73Å; V98-I155 HydrophobicContact CB-CD1 3.64Å; V98-I155 HydrophobicContact CG1-CD1 3.6Å; V98-I155 WeakPolarHBondContact O-CD1 3.28Å
99T87.4Confident73.9Confident58 Ų5858.2 Ų58.236%0.35634%0.34SS..EExtended strand (participates in β ladder)trans-116.8118.6178.261.20000111.2P97 I148P97-T99 PolarHBondContact O-N 3.1Å; T99-I148 CarbonylContact C-O 3.59Å; T99-I148 WeakPolarHBondContact CA-O 3.34Å
100L89.3Confident75Confident1 Ų153 Ų531%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-110.2131.9171.9-64.1-170.1000110.3M20 F72 I75 F79 V98 T147 I148 I155M20-L100 HydrophobicContact CE-CD2 4.17Å; F72-L100 HydrophobicContact CD1-CD1 3.86Å; F72-L100 HydrophobicContact CE1-CD1 4.11Å; I75-L100 HydrophobicContact CG2-CD2 4.09Å; F79-L100 HydrophobicContact CD2-CD2 4.18Å; F79-L100 HydrophobicContact CE1-CD2 4.47Å; F79-L100 HydrophobicContact CE2-CD2 4.15Å; F79-L100 HydrophobicContact CG-CD2 4.39Å; F79-L100 HydrophobicContact CZ-CD2 4.3Å; V98-L100 HydrophobicContact CG1-CD2 4.48Å; L100-T147 CarbonylContact O-C 3.53Å; L100-T147 WeakPolarHBondContact O-CA 3.19Å; L100-I148 PolarHBondContact N-O 3.33Å; L100-I148 PolarHBondContact O-N 2.82Å; L100-I155 HydrophobicContact CD1-CG2 3.39Å; L100-I155 HydrophobicContact CG-CD1 4.42Å; L100-I155 HydrophobicContact CG-CG2 4.07Å
101R89.7Confident76.2Confident69 Ų6952 Ų5226%0.2632%0.315SS..EExtended strand (participates in β ladder)trans-110.2108176.6-172.9171.561.2161-0109.2L18 L19 E56 A145 V146L18-R101 CarbonylContact C-O 3.48Å; L18-R101 WeakPolarHBondContact CA-O 3.42Å; L19-R101 HydrophobicContact CB-CG 4.49Å; L19-R101 VanDerWaalsContact CG-NH2 3.3Å; L19-R101 PolarHBondContact N-O 3.06Å; L19-R101 WeakPolarHBondContact O-CB 3.43Å; L19-R101 PolarHBondContact O-NE 2.74Å; E56-R101 IonicContact OE1-CZ 2.76Å; E56-R101 VanDerWaalsContact OE1-CZ 3.31Å; E56-R101 IonicContact OE1-NH1 3.31Å; E56-R101 PolarHBondContact OE1-NH1 2.94Å; E56-R101 IonicContact OE1-NH2 3.41Å; E56-R101 PolarHBondContact OE1-NH2 3.37Å; R101-A145 HydrophobicContact CG-CB 3.97Å; R101-V146 CarbonylContact C-O 3.52Å; R101-V146 WeakPolarHBondContact CA-O 3.31Å
102L90Very high77.8Confident0 Ų043.6 Ų43.60%027%0.27CS..EExtended strand (participates in β ladder)trans-91.5153175.9-67.1116.8000110.5L16 R17 F72 F104 A145 V146 I148L16-L102 HydrophobicContact CD2-CD2 3.81Å; R17-L102 CarbonylContact O-C 3.27Å; R17-L102 WeakPolarHBondContact O-CA 3.49Å; F72-L102 HydrophobicContact CE1-CD2 3.75Å; F72-L102 HydrophobicContact CE1-CG 4.4Å; F72-L102 HydrophobicContact CZ-CD2 3.49Å; F72-L102 VanDerWaalsContact CZ-CD2 3.49Å; L102-F104 HydrophobicContact CB-CD2 4.23Å; L102-F104 HydrophobicContact CB-CE2 3.35Å; L102-F104 HydrophobicContact CB-CZ 3.52Å; L102-F104 HydrophobicContact CD2-CZ 3.87Å; L102-F104 HydrophobicContact CG-CE2 4.37Å; L102-F104 HydrophobicContact CG-CZ 4.17Å; L102-A145 CarbonylContact O-C 3.44Å; L102-A145 WeakPolarHBondContact O-CA 3.42Å; L102-V146 PolarHBondContact N-O 2.91Å; L102-V146 PolarHBondContact O-N 3.48Å; L102-I148 HydrophobicContact CD1-CD1 3.19Å; L102-I148 HydrophobicContact CD1-CG1 3.99Å
103V88.2Confident79.6Confident4 Ų441.6 Ų41.62%0.02426%0.256CS..EExtended strand (participates in β ladder)trans-118.2123.6178.6-178.60000108.5R17 L19 L138 E143R17-V103 HydrophobicContact CB-CB 4.21Å; R17-V103 PolarHBondContact O-N 2.94Å; L19-V103 HydrophobicContact CB-CG2 3.4Å; L19-V103 HydrophobicContact CD2-CG2 4.18Å; L19-V103 HydrophobicContact CG-CG2 4.31Å; V103-L138 HydrophobicContact CG1-CD1 4.1Å; V103-L138 HydrophobicContact CG2-CD1 4.49Å; V103-E143 HydrophobicContact CG1-CB 3.42Å; V103-E143 VanDerWaalsContact CG1-CB 3.42Å; V103-E143 VanDerWaalsContact CG1-CD 3.48Å; V103-E143 HydrophobicContact CG1-CG 4.01Å; V103-E143 WeakPolarHBondContact CG1-OE2 3.38Å
104F85.9Confident81Confident3 Ų335.8 Ų35.81%0.01323%0.225CC..EExtended strand (participates in β ladder)trans-123.8145178.7-59.1-76.2000110.7L16 L102 Q108 C109 E143 R144 V146 I162 M166L16-F104 HydrophobicContact CD2-CE1 3.81Å; L16-F104 HydrophobicContact CD2-CZ 4.25Å; L102-F104 HydrophobicContact CB-CD2 4.23Å; L102-F104 HydrophobicContact CB-CE2 3.35Å; L102-F104 HydrophobicContact CB-CZ 3.52Å; L102-F104 HydrophobicContact CD2-CZ 3.87Å; L102-F104 HydrophobicContact CG-CE2 4.37Å; L102-F104 HydrophobicContact CG-CZ 4.17Å; F104-Q108 HydrophobicContact CB-CB 4.45Å; F104-C109 HydrophobicContact CB-CB 4.49Å; F104-E143 CarbonylContact O-C 3.56Å; F104-E143 VanDerWaalsContact O-CA 3.24Å; F104-E143 WeakPolarHBondContact O-CA 3.4Å; F104-E143 WeakPolarHBondContact O-CB 3.21Å; F104-R144 PolarHBondContact N-O 2.9Å; F104-R144 PolarHBondContact O-N 3.43Å; F104-V146 HydrophobicContact CD2-CB 4.06Å; F104-V146 HydrophobicContact CD2-CG2 3.67Å; F104-V146 HydrophobicContact CE2-CB 3.95Å; F104-V146 HydrophobicContact CE2-CG2 4.03Å; F104-I162 HydrophobicContact CE1-CG2 3.79Å; F104-I162 HydrophobicContact CE2-CG2 4.39Å; F104-I162 HydrophobicContact CZ-CG2 3.51Å; F104-M166 HydrophobicContact CD1-CE 4.03Å; F104-M166 HydrophobicContact CD1-SD 3.82Å; F104-M166 HydrophobicContact CE1-CE 4.1Å; F104-M166 HydrophobicContact CE1-CG 4.4Å; F104-M166 HydrophobicContact CE1-SD 3.4Å; F104-M166 WeakPolarHBondContact CE1-SD 3.32Å
105P80.3Confident82.6Confident19 Ų1941.7 Ų41.712%0.12324%0.24CC..EExtended strand (participates in β ladder)trans-56.3145.2166.7-20.130.7000111.4S107 Q108 C109 T175P105-S107 PolarHBondContact O-N 2.76Å; P105-S107 VanDerWaalsContact O-N 3.15Å; P105-Q108 HydrophobicContact CB-CG 4.32Å; P105-Q108 HydrophobicContact CG-CG 4.18Å; P105-Q108 PolarHBondContact O-N 3.41Å; P105-C109 PolarHBondContact O-N 3.48Å; P105-T175 HydrophobicContact CB-CG2 3.44Å; P105-T175 VanDerWaalsContact CB-CG2 3.44Å; P105-T175 HydrophobicContact CG-CG2 3.63Å
106G74.8Confident83.5Confident27 Ų2739.7 Ų39.728%0.27826%0.258SS..Hα-helixtrans-53.9-36.1-179.700000113.5C109 G110 T142G106-C109 PolarHBondContact O-N 2.88Å; G106-G110 PolarHBondContact O-N 2.76Å; G106-G110 VanDerWaalsContact O-N 3.1Å; G106-T142 PolarHBondContact N-O 3.11Å
107S78.1Confident84.4Confident47 Ų4738 Ų3833%0.32925%0.25SC..Hα-helixtrans-64.8-40.2176.564.90000112.9P105 K172P105-S107 PolarHBondContact O-N 2.76Å; P105-S107 VanDerWaalsContact O-N 3.15Å; S107-K172 PolarHBondContact OG-N 3.37Å; S107-K172 PolarHBondContact OG-O 3.19Å
108Q79.9Confident85Confident12 Ų1238 Ų386%0.05625%0.252CS..Hα-helixtrans-71-37.9175.5-64.6-63.671.600112.1F104 P105 G110 S111 L112 M166 S169 P170 P171F104-Q108 HydrophobicContact CB-CB 4.45Å; P105-Q108 HydrophobicContact CB-CG 4.32Å; P105-Q108 HydrophobicContact CG-CG 4.18Å; P105-Q108 PolarHBondContact O-N 3.41Å; Q108-G110 VanDerWaalsContact C-N 3.3Å; Q108-G110 PolarHBondContact O-N 2.77Å; Q108-S111 PolarHBondContact O-N 2.74Å; Q108-L112 PolarHBondContact O-N 3.35Å; Q108-M166 PolarHBondContact NE2-O 3Å; Q108-S169 PolarHBondContact NE2-O 3.06Å; Q108-S169 PolarHBondContact OE1-O 3.19Å; Q108-P170 PolarHBondContact OE1-O 2.93Å; Q108-P171 VanDerWaalsContact CD-N 3.33Å; Q108-P171 HydrophobicContact CG-CB 3.86Å
109C80.3Confident85.1Confident1 Ų141.1 Ų41.11%0.00727%0.265CS..Hα-helixtrans-63.9-37.5179.2-164.10000111.6F104 P105 G106 S111 L112 I113 R144F104-C109 HydrophobicContact CB-CB 4.49Å; P105-C109 PolarHBondContact O-N 3.48Å; G106-C109 PolarHBondContact O-N 2.88Å; C109-S111 PolarHBondContact O-N 3.49Å; C109-L112 WeakPolarHBondContact O-CB 3.37Å; C109-L112 PolarHBondContact O-N 2.77Å; C109-L112 VanDerWaalsContact O-N 3.17Å; C109-I113 WeakPolarHBondContact O-CD1 3.49Å; C109-I113 WeakPolarHBondContact O-CG1 3.31Å; C109-I113 PolarHBondContact O-N 3.14Å; C109-R144 HydrophobicContact CB-CB 4.35Å; C109-R144 VanDerWaalsContact SG-CD 3.57Å
110G82.8Confident85.3Confident42 Ų4239.1 Ų39.143%0.43325%0.252SS..Hα-helixtrans-57.4-45.6174.100000113.3G106 Q108 I113 G114G106-G110 PolarHBondContact O-N 2.76Å; G106-G110 VanDerWaalsContact O-N 3.1Å; Q108-G110 VanDerWaalsContact C-N 3.3Å; Q108-G110 PolarHBondContact O-N 2.77Å; G110-I113 PolarHBondContact O-N 2.79Å; G110-G114 PolarHBondContact O-N 2.78Å
111S84.1Confident85.3Confident46 Ų4644.2 Ų44.232%0.32228%0.275SS..Hα-helixtrans-67.6-36.1174.5-69.50000112.8Q108 C109 I113 G114 S169Q108-S111 PolarHBondContact O-N 2.74Å; C109-S111 PolarHBondContact O-N 3.49Å; S111-I113 VanDerWaalsContact C-N 3.32Å; S111-I113 PolarHBondContact O-N 2.94Å; S111-G114 PolarHBondContact O-N 3.34Å; S111-S169 WeakPolarHBondContact CB-OG 3.34Å; S111-S169 WeakPolarHBondContact OG-CB 3.36Å; S111-S169 PolarHBondContact OG-OG 2.94Å; S111-S169 VanDerWaalsContact OG-OG 3.06Å
112L86.6Confident85.3Confident2 Ų245.2 Ų45.21%0.0128%0.282CS..Hα-helixtrans-61.4-40.5175.7-157.685.7000112.5Q108 C109 I120 V146 I162 V165Q108-L112 PolarHBondContact O-N 3.35Å; C109-L112 WeakPolarHBondContact O-CB 3.37Å; C109-L112 PolarHBondContact O-N 2.77Å; C109-L112 VanDerWaalsContact O-N 3.17Å; L112-I120 HydrophobicContact CD2-CD1 4.28Å; L112-I120 PolarHBondContact O-N 3.44Å; L112-V146 HydrophobicContact CD2-CG2 4.42Å; L112-I162 HydrophobicContact CD1-CB 4.1Å; L112-I162 HydrophobicContact CD1-CG1 3.98Å; L112-I162 HydrophobicContact CD1-CG2 3.73Å; L112-I162 HydrophobicContact CD2-CG1 4.46Å; L112-V165 HydrophobicContact CD1-CB 4.12Å; L112-V165 HydrophobicContact CD1-CG1 4.11Å
113I88.4Confident85.3Confident48 Ų4845.3 Ų45.325%0.24628%0.283CS..Hα-helixtrans-71.2-44.4177.4-62.6161000110.1C109 G110 S111 G117 S118 K119 I120 V133C109-I113 WeakPolarHBondContact O-CD1 3.49Å; C109-I113 WeakPolarHBondContact O-CG1 3.31Å; C109-I113 PolarHBondContact O-N 3.14Å; G110-I113 PolarHBondContact O-N 2.79Å; S111-I113 VanDerWaalsContact C-N 3.32Å; S111-I113 PolarHBondContact O-N 2.94Å; I113-G117 CarbonylContact O-C 3.33Å; I113-G117 WeakPolarHBondContact O-CA 3.48Å; I113-S118 PolarHBondContact O-N 2.93Å; I113-K119 PolarHBondContact O-N 2.87Å; I113-I120 HydrophobicContact CB-CG2 4.39Å; I113-I120 HydrophobicContact CG2-CG2 4.08Å; I113-I120 PolarHBondContact O-N 3.04Å; I113-I120 VanDerWaalsContact O-N 3.14Å; I113-V133 HydrophobicContact CD1-CG1 4.2Å; I113-V133 HydrophobicContact CG1-CG2 4.38Å
114G84.7Confident85.4Confident24 Ų2450.8 Ų50.825%0.24730%0.303CS..  trans74.5170.8-173.800000112.8G110 S111 G116 G117G110-G114 PolarHBondContact O-N 2.78Å; S111-G114 PolarHBondContact O-N 3.34Å; G114-G116 PolarHBondContact O-N 2.87Å; G114-G116 VanDerWaalsContact O-N 3.13Å; G114-G117 PolarHBondContact O-N 3.45Å
115K87.9Confident85.6Confident207 Ų20757.8 Ų57.890%0.934%0.336SS*.G310 helixtrans-58.2119178.4-65.5177.1-178174.20109.7G117 S118K115-G117 PolarHBondContact O-N 2.99Å; K115-S118 PolarHBondContact O-N 3.48Å
116G84.9Confident86Confident93 Ų9361 Ų6196%0.95936%0.355SS*.G310 helixtrans66.418.2-17900000115.2G114 S118G114-G116 PolarHBondContact O-N 2.87Å; G114-G116 VanDerWaalsContact O-N 3.13Å; G116-S118 VanDerWaalsContact C-N 3.28Å; G116-S118 PolarHBondContact O-N 3.47Å
117G86.6Confident86.7Confident17 Ų1760.4 Ų60.418%0.17535%0.346CS..G310 helixtrans76.412.8-177.400000114.5I113 G114 K115 K119 I120 K121I113-G117 CarbonylContact O-C 3.33Å; I113-G117 WeakPolarHBondContact O-CA 3.48Å; G114-G117 PolarHBondContact O-N 3.45Å; K115-G117 PolarHBondContact O-N 2.99Å; G117-K119 VanDerWaalsContact C-N 3.35Å; G117-K119 PolarHBondContact O-N 3.02Å; G117-I120 VanDerWaalsContact O-CG2 3.3Å; G117-I120 WeakPolarHBondContact O-CG2 3.41Å; G117-K121 WeakPolarHBondContact O-CB 3.49Å; G117-K121 PolarHBondContact O-N 3.32Å
118S89.2Confident87.1Confident77 Ų7761 Ų6154%0.53836%0.36SS..Hα-helixtrans-60.8-42-177.3-1670000112.4I113 K115 G116 K121 E122I113-S118 PolarHBondContact O-N 2.93Å; K115-S118 PolarHBondContact O-N 3.48Å; G116-S118 VanDerWaalsContact C-N 3.28Å; G116-S118 PolarHBondContact O-N 3.47Å; S118-K121 PolarHBondContact O-N 3.2Å; S118-E122 WeakPolarHBondContact O-CB 3.18Å; S118-E122 PolarHBondContact O-N 3.46Å
119K88.8Confident87.6Confident66 Ų6660.4 Ų60.429%0.28736%0.357SS..Hα-helixtrans-72.8-45.4-174.6-163.665.4170.1175.20111.3I113 G117 K121 E122 I123 V165I113-K119 PolarHBondContact O-N 2.87Å; G117-K119 VanDerWaalsContact C-N 3.35Å; G117-K119 PolarHBondContact O-N 3.02Å; K119-K121 VanDerWaalsContact C-N 3.28Å; K119-K121 PolarHBondContact O-N 3.46Å; K119-E122 IonicContact NZ-OE1 3.8Å; K119-E122 IonicContact NZ-OE2 3.98Å; K119-E122 WeakPolarHBondContact O-CB 3.34Å; K119-E122 PolarHBondContact O-N 2.87Å; K119-I123 HydrophobicContact CG-CD1 4.36Å; K119-I123 VanDerWaalsContact O-CG1 3.24Å; K119-I123 WeakPolarHBondContact O-CG1 3.33Å; K119-I123 PolarHBondContact O-N 2.81Å; K119-V165 HydrophobicContact CG-CG2 4.28Å
120I90.2Very high88Confident17 Ų1767 Ų679%0.08739%0.388CS..Hα-helixtrans-65.9-33.5175.3-168.163.3000112.1L112 I113 G117 I123 R124 V131 V133L112-I120 HydrophobicContact CD2-CD1 4.28Å; L112-I120 PolarHBondContact O-N 3.44Å; I113-I120 HydrophobicContact CB-CG2 4.39Å; I113-I120 HydrophobicContact CG2-CG2 4.08Å; I113-I120 PolarHBondContact O-N 3.04Å; I113-I120 VanDerWaalsContact O-N 3.14Å; G117-I120 VanDerWaalsContact O-CG2 3.3Å; G117-I120 WeakPolarHBondContact O-CG2 3.41Å; I120-I123 PolarHBondContact O-N 3.23Å; I120-R124 WeakPolarHBondContact O-CG 3.32Å; I120-R124 PolarHBondContact O-N 2.72Å; I120-V131 HydrophobicContact CD1-CB 4.16Å; I120-V131 HydrophobicContact CD1-CG1 3.65Å; I120-V131 HydrophobicContact CG1-CG1 4.38Å; I120-V133 HydrophobicContact CG1-CG2 4.35Å
121K89.8Confident88.4Confident108 Ų10865.9 Ų65.947%0.4737%0.372SS..Hα-helixtrans-64.5-41.5174.2177.1170.3-179-167.20111.9G117 S118 K119 R124 E125G117-K121 WeakPolarHBondContact O-CB 3.49Å; G117-K121 PolarHBondContact O-N 3.32Å; S118-K121 PolarHBondContact O-N 3.2Å; K119-K121 VanDerWaalsContact C-N 3.28Å; K119-K121 PolarHBondContact O-N 3.46Å; K121-R124 WeakPolarHBondContact O-CG 3.2Å; K121-E125 WeakPolarHBondContact O-CB 3.42Å; K121-E125 PolarHBondContact O-N 3.25Å
122E89.8Confident88.5Confident89 Ų8970.6 Ų70.642%0.41639%0.389SS..Hα-helixtrans-64.9-43.2174.2-175.8-169.614300111.3S118 K119 E125 T126S118-E122 WeakPolarHBondContact O-CB 3.18Å; S118-E122 PolarHBondContact O-N 3.46Å; K119-E122 IonicContact NZ-OE1 3.8Å; K119-E122 IonicContact NZ-OE2 3.98Å; K119-E122 WeakPolarHBondContact O-CB 3.34Å; K119-E122 PolarHBondContact O-N 2.87Å; E122-E125 PolarHBondContact O-N 3.2Å; E122-T126 VanDerWaalsContact O-CB 3.3Å; E122-T126 WeakPolarHBondContact O-CB 3.29Å; E122-T126 PolarHBondContact O-N 3.4Å; E122-T126 PolarHBondContact O-OG1 3.17Å
123I90.6Very high88.6Confident3 Ų372.3 Ų72.32%0.01540%0.4CS..Hα-helixtrans-62.4-47.8179.5-66166.5000111K119 I120 E125 T126 T127 H161 V165K119-I123 HydrophobicContact CG-CD1 4.36Å; K119-I123 VanDerWaalsContact O-CG1 3.24Å; K119-I123 WeakPolarHBondContact O-CG1 3.33Å; K119-I123 PolarHBondContact O-N 2.81Å; I120-I123 PolarHBondContact O-N 3.23Å; I123-E125 VanDerWaalsContact C-N 3.28Å; I123-E125 PolarHBondContact O-N 3.07Å; I123-T126 PolarHBondContact O-N 2.84Å; I123-T127 HydrophobicContact CG2-CG2 4.08Å; I123-T127 VanDerWaalsContact O-CB 3.24Å; I123-T127 WeakPolarHBondContact O-CB 3.27Å; I123-T127 WeakPolarHBondContact O-CG2 3.43Å; I123-T127 PolarHBondContact O-N 2.57Å; I123-T127 PolarHBondContact O-OG1 2.87Å; I123-H161 HydrophobicContact CD1-CB 4.46Å; I123-H161 HydrophobicContact CG1-CB 4.06Å; I123-H161 HydrophobicContact CG2-CB 4.04Å; I123-V165 HydrophobicContact CD1-CG2 4.3Å
124R89.4Confident88.3Confident118 Ų11871.9 Ų71.945%0.44540%0.403SS..Hα-helixtrans-63.9-33.8177.967.9-178.4-172.8-168.64.8112.5I120 K121 G128 A129 V131I120-R124 WeakPolarHBondContact O-CG 3.32Å; I120-R124 PolarHBondContact O-N 2.72Å; K121-R124 WeakPolarHBondContact O-CG 3.2Å; R124-G128 WeakPolarHBondContact O-CA 3.47Å; R124-G128 PolarHBondContact O-N 3.29Å; R124-A129 WeakPolarHBondContact CB-O 3.38Å; R124-V131 HydrophobicContact CB-CG2 4.27Å
125E90.1Very high87.4Confident150 Ų15073.4 Ų73.470%0.70142%0.419SS*.Hα-helixtrans-74.8-42.8-179.7-17116386.700111.3K121 E122 I123K121-E125 WeakPolarHBondContact O-CB 3.42Å; K121-E125 PolarHBondContact O-N 3.25Å; E122-E125 PolarHBondContact O-N 3.2Å; I123-E125 VanDerWaalsContact C-N 3.28Å; I123-E125 PolarHBondContact O-N 3.07Å
126T90.2Very high86.6Confident87 Ų8770 Ų7053%0.53441%0.411SS..Hα-helixtrans-68.7-41.4178.2-55.30000111.9E122 I123E122-T126 VanDerWaalsContact O-CB 3.3Å; E122-T126 WeakPolarHBondContact O-CB 3.29Å; E122-T126 PolarHBondContact O-N 3.4Å; E122-T126 PolarHBondContact O-OG1 3.17Å; I123-T126 PolarHBondContact O-N 2.84Å
127T89.1Confident85.9Confident14 Ų1469.9 Ų69.99%0.08639%0.386CS..Hα-helixtrans-86.1-19.7-174.362.90000112.9I123 A129 A154 Q157 C158I123-T127 HydrophobicContact CG2-CG2 4.08Å; I123-T127 VanDerWaalsContact O-CB 3.24Å; I123-T127 WeakPolarHBondContact O-CB 3.27Å; I123-T127 WeakPolarHBondContact O-CG2 3.43Å; I123-T127 PolarHBondContact O-N 2.57Å; I123-T127 PolarHBondContact O-OG1 2.87Å; T127-A129 PolarHBondContact O-N 2.95Å; T127-A129 PolarHBondContact OG1-N 3.4Å; T127-A154 WeakPolarHBondContact O-CB 3.27Å; T127-Q157 HydrophobicContact CG2-CB 4.16Å; T127-C158 VanDerWaalsContact CG2-CA 3.44Å; T127-C158 HydrophobicContact CG2-CB 3.88Å
128G86.4Confident84.9Confident60 Ų6070.1 Ų70.162%0.61938%0.383SS*.  trans65.67.2-170.600000114R124R124-G128 WeakPolarHBondContact O-CA 3.47Å; R124-G128 PolarHBondContact O-N 3.29Å
129A89.3Confident83.3Confident0 Ų070.7 Ų70.70%039%0.385CS..  trans-84.9145.9176.300000110.9R124 T127 V131 I148 A154 C158R124-A129 WeakPolarHBondContact CB-O 3.38Å; T127-A129 PolarHBondContact O-N 2.95Å; T127-A129 PolarHBondContact OG1-N 3.4Å; A129-V131 HydrophobicContact CB-CG2 4.41Å; A129-V131 PolarHBondContact O-N 3.47Å; A129-I148 HydrophobicContact CB-CG2 3.93Å; A129-A154 HydrophobicContact CB-CB 3.98Å; A129-C158 HydrophobicContact CB-CB 4.28Å
130Q88.8Confident81.8Confident140 Ų14073.1 Ų73.165%0.65440%0.401SS*.EExtended strand (participates in β ladder)trans-80.4106.9169.9-76.3-65.6-47.800108.9I148 S149Q130-I148 CarbonylContact O-C 3.58Å; Q130-I148 WeakPolarHBondContact O-CA 3.39Å; Q130-S149 WeakPolarHBondContact CB-OG 3.44Å; Q130-S149 PolarHBondContact N-O 2.88Å; Q130-S149 PolarHBondContact O-N 2.58Å; Q130-S149 PolarHBondContact O-OG 2.76Å
131V91.1Very high80.5Confident18 Ų1872.9 Ų72.911%0.10940%0.402CS..EExtended strand (participates in β ladder)trans-107.4122178.5-167.70000109.9I120 R124 A129 V146 T147 I148 C158I120-V131 HydrophobicContact CD1-CB 4.16Å; I120-V131 HydrophobicContact CD1-CG1 3.65Å; I120-V131 HydrophobicContact CG1-CG1 4.38Å; R124-V131 HydrophobicContact CB-CG2 4.27Å; A129-V131 HydrophobicContact CB-CG2 4.41Å; A129-V131 PolarHBondContact O-N 3.47Å; V131-V146 HydrophobicContact CG1-CG1 3.57Å; V131-T147 CarbonylContact C-O 3.58Å; V131-T147 WeakPolarHBondContact CA-O 3.32Å; V131-I148 HydrophobicContact CG1-CG1 4.1Å; V131-I148 HydrophobicContact CG2-CG1 4.4Å; V131-I148 HydrophobicContact CG2-CG2 4.34Å; V131-C158 VanDerWaalsContact CG2-SG 3.59Å
132Q87.5Confident79.4Confident145 Ų14569.4 Ų69.468%0.67839%0.389SS*.EExtended strand (participates in β ladder)trans-123.3119.7-179.7-170.815968.900110.2V146 T147Q132-V146 CarbonylContact O-C 3.52Å; Q132-V146 WeakPolarHBondContact O-CA 3.48Å; Q132-T147 PolarHBondContact N-O 3.22Å; Q132-T147 PolarHBondContact O-N 2.76Å
133V87.8Confident79Confident38 Ų3865.4 Ų65.423%0.2337%0.371CS..EExtended strand (participates in β ladder)trans-93.7129.9177.7-178.30000108.2I113 I120 G135 R144 V146I113-V133 HydrophobicContact CD1-CG1 4.2Å; I113-V133 HydrophobicContact CG1-CG2 4.38Å; I120-V133 HydrophobicContact CG1-CG2 4.35Å; V133-G135 PolarHBondContact O-N 3.4Å; V133-R144 HydrophobicContact CG1-CG 4.08Å; V133-V146 HydrophobicContact CB-CG2 4.49Å; V133-V146 HydrophobicContact CG1-CG2 4.19Å; V133-V146 HydrophobicContact CG2-CG1 4.18Å; V133-V146 HydrophobicContact CG2-CG2 4.11Å
134A81.6Confident78.7Confident39 Ų3968 Ų6832%0.32238%0.38SS..  trans-61.9133.6173.700000110.1D136 R144 A145A134-D136 VanDerWaalsContact C-N 3.27Å; A134-D136 PolarHBondContact O-N 2.84Å; A134-R144 HydrophobicContact CB-CG 4.39Å; A134-R144 WeakPolarHBondContact O-CD 3.24Å; A134-R144 WeakPolarHBondContact O-CG 3.46Å; A134-R144 PolarHBondContact O-NH1 2.83Å; A134-A145 HydrophobicContact CB-CB 4.36Å; A134-A145 VanDerWaalsContact CB-O 3.31Å; A134-A145 WeakPolarHBondContact CB-O 3.41Å; A134-A145 PolarHBondContact N-O 3.18Å
135G66.2Low78.5Confident56 Ų5662.8 Ų62.858%0.57736%0.362SS*.SBendtrans-68.2-29.2178.200000112.9V133 R144V133-G135 PolarHBondContact O-N 3.4Å; G135-R144 PolarHBondContact O-NH1 2.77Å; G135-R144 PolarHBondContact O-NH2 3.28Å
136D72.4Confident78.5Confident135 Ų13555.7 Ų55.772%0.72233%0.329SS*.SBendtrans-104.2152-178.5-59-78.2000111.7A134A134-D136 VanDerWaalsContact C-N 3.27Å; A134-D136 PolarHBondContact O-N 2.84Å
137M68.9Low78.5Confident90 Ų9053.7 Ų53.744%0.44332%0.317SS..PPolyproline II helixtrans-76.8147.7169.4-54.6-178.980.100108.4T142M137-T142 WeakPolarHBondContact CE-O 3.41Å
138L65.9Low78.7Confident22 Ų2253 Ų5312%0.11531%0.313CS..PPolyproline II helixtrans-59.3137.5176.1-80126.3000109.8L19 V103 D140 S141 E143 A145 Y178L19-L138 HydrophobicContact CD2-CD2 3.89Å; V103-L138 HydrophobicContact CG1-CD1 4.1Å; V103-L138 HydrophobicContact CG2-CD1 4.49Å; L138-D140 PolarHBondContact O-N 2.93Å; L138-S141 PolarHBondContact O-N 3.44Å; L138-E143 HydrophobicContact CD1-CB 4.35Å; L138-E143 PolarHBondContact N-O 3.15Å; L138-A145 HydrophobicContact CD1-CB 4.17Å; L138-Y178 HydrophobicContact CB-CD2 3.71Å; L138-Y178 HydrophobicContact CB-CE2 4.06Å; L138-Y178 HydrophobicContact CB-CG 4.12Å; L138-Y178 HydrophobicContact CD2-CD1 3.85Å; L138-Y178 HydrophobicContact CD2-CD2 4.08Å; L138-Y178 HydrophobicContact CD2-CE1 3.77Å; L138-Y178 HydrophobicContact CD2-CE2 3.97Å; L138-Y178 HydrophobicContact CD2-CG 4.04Å; L138-Y178 HydrophobicContact CG-CD2 4.44Å; L138-Y178 HydrophobicContact CG-CG 4.47Å
139P56Low78.8Confident90 Ų9051.6 Ų51.658%0.58429%0.293SS*.THydrogen-bonded Turntrans-56.9139.2179.623.1-32.2000110.3S141 Y178P139-S141 PolarHBondContact O-N 3.09Å; P139-Y178 WeakPolarHBondContact O-CD2 3.47Å; P139-Y178 WeakPolarHBondContact O-CE2 3.49Å
140D56.2Low78.9Confident116 Ų11652.2 Ų52.262%0.6230%0.3SS*.THydrogen-bonded Turntrans61.613.8-172.5-62.6-114.6000115.4L138 K181L138-D140 PolarHBondContact O-N 2.93Å; D140-K181 IonicContact OD1-NZ 3.97Å; D140-K181 PolarHBondContact OD1-NZ 3.24Å; D140-K181 IonicContact OD2-NZ 3.57Å
141S63.4Low78.9Confident13 Ų1349.1 Ų49.19%0.09129%0.291CS..  trans-138.5149.2179.9-176.40000114.3L138 P139 E143 I176 Y178L138-S141 PolarHBondContact O-N 3.44Å; P139-S141 PolarHBondContact O-N 3.09Å; S141-E143 PolarHBondContact O-N 3.47Å; S141-E143 WeakPolarHBondContact OG-CB 3.44Å; S141-E143 WeakPolarHBondContact OG-CG 3.25Å; S141-E143 PolarHBondContact OG-N 3Å; S141-I176 PolarHBondContact OG-O 3.5Å; S141-Y178 WeakPolarHBondContact OG-CA 3.24Å; S141-Y178 WeakPolarHBondContact OG-CB 3.48Å; S141-Y178 PolarHBondContact OG-N 2.79Å
142T66.6Low78.6Confident35 Ų3549.2 Ų49.222%0.21529%0.292CS..SBendtrans-83.610.7169.457.70000112.6G106 M137 I176G106-T142 PolarHBondContact N-O 3.11Å; M137-T142 WeakPolarHBondContact CE-O 3.41Å; T142-I176 HydrophobicContact CG2-CB 4.19Å; T142-I176 HydrophobicContact CG2-CD1 4.04Å; T142-I176 HydrophobicContact CG2-CG1 4.18Å; T142-I176 PolarHBondContact N-O 2.79Å; T142-I176 PolarHBondContact OG1-N 2.8Å; T142-I176 PolarHBondContact OG1-O 3.28Å
143E81.4Confident78.6Confident5 Ų549.5 Ų49.52%0.02329%0.293CS..EExtended strand (participates in β ladder)trans-97.8153.3-179.3-60.8-177.7138.300112.2R17 V103 F104 L138 S141 Y178R17-E143 IonicContact CZ-OE1 3Å; R17-E143 IonicContact CZ-OE2 2.64Å; R17-E143 IonicContact NH1-OE1 2.76Å; R17-E143 PolarHBondContact NH1-OE1 2.83Å; R17-E143 IonicContact NH1-OE2 2.7Å; R17-E143 PolarHBondContact NH1-OE2 2.76Å; V103-E143 HydrophobicContact CG1-CB 3.42Å; V103-E143 VanDerWaalsContact CG1-CB 3.42Å; V103-E143 VanDerWaalsContact CG1-CD 3.48Å; V103-E143 HydrophobicContact CG1-CG 4.01Å; V103-E143 WeakPolarHBondContact CG1-OE2 3.38Å; F104-E143 CarbonylContact O-C 3.56Å; F104-E143 VanDerWaalsContact O-CA 3.24Å; F104-E143 WeakPolarHBondContact O-CA 3.4Å; F104-E143 WeakPolarHBondContact O-CB 3.21Å; L138-E143 HydrophobicContact CD1-CB 4.35Å; L138-E143 PolarHBondContact N-O 3.15Å; S141-E143 PolarHBondContact O-N 3.47Å; S141-E143 WeakPolarHBondContact OG-CB 3.44Å; S141-E143 WeakPolarHBondContact OG-CG 3.25Å; S141-E143 PolarHBondContact OG-N 3Å; E143-Y178 VanDerWaalsContact OE2-CB 3.27Å; E143-Y178 WeakPolarHBondContact OE2-CB 3.47Å; E143-Y178 PolarHBondContact OE2-N 3Å
144R84.6Confident78.7Confident58 Ų5848.2 Ų48.222%0.21929%0.286CS..EExtended strand (participates in β ladder)trans-123.8131.8-179.4-171.7169-77.2-121.6-0.6108.5F104 C109 V133 A134 G135F104-R144 PolarHBondContact N-O 2.9Å; F104-R144 PolarHBondContact O-N 3.43Å; C109-R144 HydrophobicContact CB-CB 4.35Å; C109-R144 VanDerWaalsContact SG-CD 3.57Å; V133-R144 HydrophobicContact CG1-CG 4.08Å; A134-R144 HydrophobicContact CB-CG 4.39Å; A134-R144 WeakPolarHBondContact O-CD 3.24Å; A134-R144 WeakPolarHBondContact O-CG 3.46Å; A134-R144 PolarHBondContact O-NH1 2.83Å; G135-R144 PolarHBondContact O-NH1 2.77Å; G135-R144 PolarHBondContact O-NH2 3.28Å
145A85.9Confident79Confident8 Ų846.3 Ų46.37%0.06627%0.271CS..EExtended strand (participates in β ladder)trans-79.2137.5174.800000110.2R101 L102 A134 L138R101-A145 HydrophobicContact CG-CB 3.97Å; L102-A145 CarbonylContact O-C 3.44Å; L102-A145 WeakPolarHBondContact O-CA 3.42Å; A134-A145 HydrophobicContact CB-CB 4.36Å; A134-A145 VanDerWaalsContact CB-O 3.31Å; A134-A145 WeakPolarHBondContact CB-O 3.41Å; A134-A145 PolarHBondContact N-O 3.18Å; L138-A145 HydrophobicContact CD1-CB 4.17Å
146V90Very high80Confident0 Ų044.6 Ų44.60%025%0.249CC..EExtended strand (participates in β ladder)trans-123.8113.7173.1179.80000107.3R101 L102 F104 L112 V131 Q132 V133 I148R101-V146 CarbonylContact C-O 3.52Å; R101-V146 WeakPolarHBondContact CA-O 3.31Å; L102-V146 PolarHBondContact N-O 2.91Å; L102-V146 PolarHBondContact O-N 3.48Å; F104-V146 HydrophobicContact CD2-CB 4.06Å; F104-V146 HydrophobicContact CD2-CG2 3.67Å; F104-V146 HydrophobicContact CE2-CB 3.95Å; F104-V146 HydrophobicContact CE2-CG2 4.03Å; L112-V146 HydrophobicContact CD2-CG2 4.42Å; V131-V146 HydrophobicContact CG1-CG1 3.57Å; Q132-V146 CarbonylContact O-C 3.52Å; Q132-V146 WeakPolarHBondContact O-CA 3.48Å; V133-V146 HydrophobicContact CB-CG2 4.49Å; V133-V146 HydrophobicContact CG1-CG2 4.19Å; V133-V146 HydrophobicContact CG2-CG1 4.18Å; V133-V146 HydrophobicContact CG2-CG2 4.11Å; V146-I148 HydrophobicContact CG1-CG1 4.47Å
147T90.3Very high80.7Confident45 Ų4541.2 Ų41.228%0.27623%0.229SC..EExtended strand (participates in β ladder)trans-91127.8177.5-54.40000109.1L100 V131 Q132L100-T147 CarbonylContact O-C 3.53Å; L100-T147 WeakPolarHBondContact O-CA 3.19Å; V131-T147 CarbonylContact C-O 3.58Å; V131-T147 WeakPolarHBondContact CA-O 3.32Å; Q132-T147 PolarHBondContact N-O 3.22Å; Q132-T147 PolarHBondContact O-N 2.76Å
148I92Very high81.7Confident0 Ų037 Ų370%021%0.208CC..EExtended strand (participates in β ladder)trans-117.2121.6176.2-54.8174000106.7T99 L100 L102 A129 Q130 V131 V146 I155 C158 I162T99-I148 CarbonylContact C-O 3.59Å; T99-I148 WeakPolarHBondContact CA-O 3.34Å; L100-I148 PolarHBondContact N-O 3.33Å; L100-I148 PolarHBondContact O-N 2.82Å; L102-I148 HydrophobicContact CD1-CD1 3.19Å; L102-I148 HydrophobicContact CD1-CG1 3.99Å; A129-I148 HydrophobicContact CB-CG2 3.93Å; Q130-I148 CarbonylContact O-C 3.58Å; Q130-I148 WeakPolarHBondContact O-CA 3.39Å; V131-I148 HydrophobicContact CG1-CG1 4.1Å; V131-I148 HydrophobicContact CG2-CG1 4.4Å; V131-I148 HydrophobicContact CG2-CG2 4.34Å; V146-I148 HydrophobicContact CG1-CG1 4.47Å; I148-I155 HydrophobicContact CG2-CG1 4.13Å; I148-C158 HydrophobicContact CD1-CB 4.41Å; I148-C158 HydrophobicContact CG2-CB 4.17Å; I148-I162 HydrophobicContact CD1-CD1 3.41Å; I148-I162 VanDerWaalsContact CD1-CD1 3.41Å
149S89.8Confident82.7Confident30 Ų3036 Ų3621%0.2120%0.203CC..EExtended strand (participates in β ladder)trans-120.1138.5174.956.30000111.4V98 Q130V98-S149 CarbonylContact O-C 3.54Å; V98-S149 VanDerWaalsContact O-CA 3.24Å; V98-S149 WeakPolarHBondContact O-CA 3.19Å; Q130-S149 WeakPolarHBondContact CB-OG 3.44Å; Q130-S149 PolarHBondContact N-O 2.88Å; Q130-S149 PolarHBondContact O-N 2.58Å; Q130-S149 PolarHBondContact O-OG 2.76Å
150G89.6Confident84.1Confident13 Ų1336.5 Ų36.513%0.13419%0.193CC..EExtended strand (participates in β ladder)trans165-162.7179.200000113.4V98V98-G150 PolarHBondContact N-O 3.5Å; V98-G150 PolarHBondContact O-N 2.73Å
151T89.3Confident85.6Confident76 Ų7634 Ų3447%0.46618%0.178SC..  trans-73.7155.8170.961.70000110.2Q153 A154 I155T151-Q153 PolarHBondContact O-N 2.93Å; T151-Q153 VanDerWaalsContact O-N 3.15Å; T151-A154 PolarHBondContact O-N 3.38Å; T151-A154 WeakPolarHBondContact OG1-CB 3.26Å; T151-A154 PolarHBondContact OG1-N 3.1Å; T151-I155 WeakPolarHBondContact O-CG1 3.44Å; T151-I155 PolarHBondContact O-N 3.36Å
152P85.1Confident86.8Confident20 Ų2033.5 Ų33.513%0.1317%0.174CC..Hα-helixtrans-56.9-32177.121.1-33.8000112.4A76 E80 T156A76-P152 HydrophobicContact CB-CB 3.86Å; E80-P152 WeakPolarHBondContact OE2-CD 3.08Å; E80-P152 WeakPolarHBondContact OE2-CG 3.47Å; P152-T156 WeakPolarHBondContact O-CB 3.43Å; P152-T156 PolarHBondContact O-N 3.39Å; P152-T156 PolarHBondContact O-OG1 2.79Å
153Q86.8Confident87.5Confident151 Ų15132 Ų3271%0.70616%0.164SC*.Hα-helixtrans-65.9-50.2173.4-71.7156.3-24.100111.5T151 I155 T156 Q157T151-Q153 PolarHBondContact O-N 2.93Å; T151-Q153 VanDerWaalsContact O-N 3.15Å; Q153-I155 VanDerWaalsContact C-N 3.32Å; Q153-I155 PolarHBondContact O-N 3.5Å; Q153-T156 PolarHBondContact O-N 2.78Å; Q153-Q157 WeakPolarHBondContact O-CG 3.37Å; Q153-Q157 PolarHBondContact O-N 3.14Å
154A89.9Confident87.6Confident10 Ų1034.7 Ų34.78%0.08318%0.184CC..Hα-helixtrans-60.8-41.3178.600000111.8T127 A129 T151 Q157 C158T127-A154 WeakPolarHBondContact O-CB 3.27Å; A129-A154 HydrophobicContact CB-CB 3.98Å; T151-A154 PolarHBondContact O-N 3.38Å; T151-A154 WeakPolarHBondContact OG1-CB 3.26Å; T151-A154 PolarHBondContact OG1-N 3.1Å; A154-Q157 PolarHBondContact O-N 3.25Å; A154-C158 VanDerWaalsContact O-CB 3.3Å; A154-C158 WeakPolarHBondContact O-CB 3.3Å; A154-C158 PolarHBondContact O-N 2.91Å
155I89.1Confident87.5Confident0 Ų032.3 Ų32.30%018%0.176CC..Hα-helixtrans-63.2-46.4176.2-66.8168000111.1A76 V98 L100 I148 T151 Q153 Q157 C158 V159A76-I155 HydrophobicContact CB-CG2 4.47Å; V98-I155 HydrophobicContact CB-CD1 3.64Å; V98-I155 HydrophobicContact CG1-CD1 3.6Å; V98-I155 WeakPolarHBondContact O-CD1 3.28Å; L100-I155 HydrophobicContact CD1-CG2 3.39Å; L100-I155 HydrophobicContact CG-CD1 4.42Å; L100-I155 HydrophobicContact CG-CG2 4.07Å; I148-I155 HydrophobicContact CG2-CG1 4.13Å; T151-I155 WeakPolarHBondContact O-CG1 3.44Å; T151-I155 PolarHBondContact O-N 3.36Å; Q153-I155 VanDerWaalsContact C-N 3.32Å; Q153-I155 PolarHBondContact O-N 3.5Å; I155-Q157 VanDerWaalsContact C-N 3.32Å; I155-Q157 PolarHBondContact O-N 3.42Å; I155-C158 WeakPolarHBondContact O-CB 3.23Å; I155-C158 PolarHBondContact O-N 3.43Å; I155-C158 VanDerWaalsContact O-N 3.15Å; I155-V159 HydrophobicContact CG2-CG2 4.42Å; I155-V159 WeakPolarHBondContact O-CG2 3.48Å; I155-V159 PolarHBondContact O-N 2.72Å
156T86.3Confident87.3Confident20 Ų2033.1 Ų33.112%0.12318%0.178CC..Hα-helixtrans-61.2-43.3179.5-57.90000111P152 Q153 V159 R160P152-T156 WeakPolarHBondContact O-CB 3.43Å; P152-T156 PolarHBondContact O-N 3.39Å; P152-T156 PolarHBondContact O-OG1 2.79Å; Q153-T156 PolarHBondContact O-N 2.78Å; T156-V159 PolarHBondContact O-N 2.72Å; T156-R160 PolarHBondContact O-N 2.63Å; T156-R160 VanDerWaalsContact O-N 3.11Å
157Q87.8Confident86.7Confident64 Ų6435.5 Ų35.530%0.29919%0.191SC..Hα-helixtrans-63.4-43.3173.8-65.4-63.8-8.800111.3T127 Q153 A154 I155 V159 R160 H161T127-Q157 HydrophobicContact CG2-CB 4.16Å; Q153-Q157 WeakPolarHBondContact O-CG 3.37Å; Q153-Q157 PolarHBondContact O-N 3.14Å; A154-Q157 PolarHBondContact O-N 3.25Å; I155-Q157 VanDerWaalsContact C-N 3.32Å; I155-Q157 PolarHBondContact O-N 3.42Å; Q157-V159 PolarHBondContact O-N 3.46Å; Q157-R160 WeakPolarHBondContact O-CB 3.2Å; Q157-R160 PolarHBondContact O-N 3.28Å; Q157-R160 VanDerWaalsContact O-N 3.14Å; Q157-H161 PolarHBondContact O-CD2 2.9Å; Q157-H161 VanDerWaalsContact O-CD2 3.28Å; Q157-H161 PolarHBondContact O-N 2.77Å; Q157-H161 VanDerWaalsContact O-N 3.09Å
158C89.6Confident86.2Confident0 Ų040.2 Ų40.20%021%0.21CC..Hα-helixtrans-61.1-43.3178-168.30000112.2T127 A129 V131 I148 A154 I155 R160 H161 I162T127-C158 VanDerWaalsContact CG2-CA 3.44Å; T127-C158 HydrophobicContact CG2-CB 3.88Å; A129-C158 HydrophobicContact CB-CB 4.28Å; V131-C158 VanDerWaalsContact CG2-SG 3.59Å; I148-C158 HydrophobicContact CD1-CB 4.41Å; I148-C158 HydrophobicContact CG2-CB 4.17Å; A154-C158 VanDerWaalsContact O-CB 3.3Å; A154-C158 WeakPolarHBondContact O-CB 3.3Å; A154-C158 PolarHBondContact O-N 2.91Å; I155-C158 WeakPolarHBondContact O-CB 3.23Å; I155-C158 PolarHBondContact O-N 3.43Å; I155-C158 VanDerWaalsContact O-N 3.15Å; C158-R160 VanDerWaalsContact C-N 3.3Å; C158-R160 PolarHBondContact O-N 2.64Å; C158-H161 PolarHBondContact O-N 3.35Å; C158-I162 WeakPolarHBondContact O-CB 3.19Å; C158-I162 WeakPolarHBondContact O-CD1 3.42Å; C158-I162 WeakPolarHBondContact O-CG1 3.21Å; C158-I162 PolarHBondContact O-N 3.38Å
159V87.2Confident85.2Confident2 Ų241.8 Ų41.81%0.01222%0.221CC..Hα-helixtrans-63.4-36176.1173.70000111.3F72 I155 T156 Q157 I162 C163F72-V159 HydrophobicContact CB-CG1 4.49Å; F72-V159 HydrophobicContact CD1-CG1 4.28Å; F72-V159 HydrophobicContact CD1-CG2 3.73Å; F72-V159 HydrophobicContact CD2-CG1 4.05Å; F72-V159 HydrophobicContact CE1-CG2 3.94Å; F72-V159 HydrophobicContact CE2-CG1 4.31Å; F72-V159 HydrophobicContact CG-CG1 4.02Å; F72-V159 HydrophobicContact CG-CG2 4.24Å; I155-V159 HydrophobicContact CG2-CG2 4.42Å; I155-V159 WeakPolarHBondContact O-CG2 3.48Å; I155-V159 PolarHBondContact O-N 2.72Å; T156-V159 PolarHBondContact O-N 2.72Å; Q157-V159 PolarHBondContact O-N 3.46Å; V159-I162 PolarHBondContact O-N 3.48Å; V159-C163 WeakPolarHBondContact O-CB 3.36Å; V159-C163 PolarHBondContact O-N 3.18Å
160R85.2Confident84Confident101 Ų10144.3 Ų44.338%0.38124%0.237SC..Hα-helixtrans-59.9-49.6172.5-77.5-163.6175.9122-3.9112.5F69 T156 Q157 C158 I162 C163 S164F69-R160 HydrophobicContact CD1-CG 3.95Å; F69-R160 HydrophobicContact CE1-CB 4.2Å; F69-R160 HydrophobicContact CE1-CG 3.59Å; F69-R160 HydrophobicContact CE2-CG 4.13Å; F69-R160 HydrophobicContact CG-CG 4.43Å; F69-R160 HydrophobicContact CZ-CB 4.3Å; F69-R160 HydrophobicContact CZ-CG 3.68Å; T156-R160 PolarHBondContact O-N 2.63Å; T156-R160 VanDerWaalsContact O-N 3.11Å; Q157-R160 WeakPolarHBondContact O-CB 3.2Å; Q157-R160 PolarHBondContact O-N 3.28Å; Q157-R160 VanDerWaalsContact O-N 3.14Å; C158-R160 VanDerWaalsContact C-N 3.3Å; C158-R160 PolarHBondContact O-N 2.64Å; R160-I162 VanDerWaalsContact C-N 3.34Å; R160-I162 PolarHBondContact O-N 2.94Å; R160-C163 WeakPolarHBondContact O-CB 3.25Å; R160-C163 PolarHBondContact O-N 3.39Å; R160-S164 PolarHBondContact O-N 2.74Å
161H87.6Confident82.7Confident64 Ų6447 Ų4730%0.29625%0.251SS..Hα-helixtrans-63.1-42.6178.3-77.9-79.6000111.9I123 Q157 C158 C163 S164 V165I123-H161 HydrophobicContact CD1-CB 4.46Å; I123-H161 HydrophobicContact CG1-CB 4.06Å; I123-H161 HydrophobicContact CG2-CB 4.04Å; Q157-H161 PolarHBondContact O-CD2 2.9Å; Q157-H161 VanDerWaalsContact O-CD2 3.28Å; Q157-H161 PolarHBondContact O-N 2.77Å; Q157-H161 VanDerWaalsContact O-N 3.09Å; C158-H161 PolarHBondContact O-N 3.35Å; H161-C163 VanDerWaalsContact C-N 3.32Å; H161-C163 PolarHBondContact O-N 2.84Å; H161-S164 WeakPolarHBondContact O-CB 3.44Å; H161-S164 PolarHBondContact O-N 3.01Å; H161-V165 WeakPolarHBondContact O-CG2 3.43Å; H161-V165 PolarHBondContact O-N 3.35Å
162I87.8Confident80.6Confident1 Ų152 Ų521%0.00527%0.267CS..Hα-helixtrans-60.1-44.6176.5-68.3161.7000110.9F104 L112 I148 C158 V159 R160 S164 V165 M166F104-I162 HydrophobicContact CE1-CG2 3.79Å; F104-I162 HydrophobicContact CE2-CG2 4.39Å; F104-I162 HydrophobicContact CZ-CG2 3.51Å; L112-I162 HydrophobicContact CD1-CB 4.1Å; L112-I162 HydrophobicContact CD1-CG1 3.98Å; L112-I162 HydrophobicContact CD1-CG2 3.73Å; L112-I162 HydrophobicContact CD2-CG1 4.46Å; I148-I162 HydrophobicContact CD1-CD1 3.41Å; I148-I162 VanDerWaalsContact CD1-CD1 3.41Å; C158-I162 WeakPolarHBondContact O-CB 3.19Å; C158-I162 WeakPolarHBondContact O-CD1 3.42Å; C158-I162 WeakPolarHBondContact O-CG1 3.21Å; C158-I162 PolarHBondContact O-N 3.38Å; V159-I162 PolarHBondContact O-N 3.48Å; R160-I162 VanDerWaalsContact C-N 3.34Å; R160-I162 PolarHBondContact O-N 2.94Å; I162-S164 VanDerWaalsContact C-N 3.34Å; I162-S164 PolarHBondContact O-N 3.08Å; I162-V165 PolarHBondContact O-N 3.41Å; I162-M166 HydrophobicContact CG2-CG 4.28Å; I162-M166 HydrophobicContact CG2-SD 4.12Å; I162-M166 WeakPolarHBondContact O-CG 3.27Å; I162-M166 PolarHBondContact O-N 2.7Å
163C83.1Confident79Confident3 Ų354.1 Ų54.12%0.0229%0.293CS..Hα-helixtrans-57.7-45.6176.8-179.10000111.5L14 F69 V159 R160 H161 V165 M166 L167L14-C163 WeakPolarHBondContact CD1-SG 3.19Å; F69-C163 HydrophobicContact CE1-CB 3.97Å; F69-C163 HydrophobicContact CZ-CB 4.25Å; V159-C163 WeakPolarHBondContact O-CB 3.36Å; V159-C163 PolarHBondContact O-N 3.18Å; R160-C163 WeakPolarHBondContact O-CB 3.25Å; R160-C163 PolarHBondContact O-N 3.39Å; H161-C163 VanDerWaalsContact C-N 3.32Å; H161-C163 PolarHBondContact O-N 2.84Å; C163-V165 PolarHBondContact O-N 2.92Å; C163-M166 PolarHBondContact O-N 3.03Å; C163-L167 WeakPolarHBondContact O-CG 3.3Å; C163-L167 PolarHBondContact O-N 2.84Å
164S82.4Confident77.2Confident62 Ų6251.2 Ų51.243%0.43429%0.294SS..Hα-helixtrans-57.8-46.9174.4-166.60000111.8R160 H161 I162 M166 L167 E168R160-S164 PolarHBondContact O-N 2.74Å; H161-S164 WeakPolarHBondContact O-CB 3.44Å; H161-S164 PolarHBondContact O-N 3.01Å; I162-S164 VanDerWaalsContact C-N 3.34Å; I162-S164 PolarHBondContact O-N 3.08Å; S164-M166 PolarHBondContact O-N 3.11Å; S164-L167 WeakPolarHBondContact O-CB 3.42Å; S164-L167 PolarHBondContact O-N 2.8Å; S164-E168 WeakPolarHBondContact O-CB 3.14Å; S164-E168 PolarHBondContact O-N 3.14Å
165V83.8Confident75.5Confident9 Ų953.5 Ų53.56%0.05531%0.307CS..Hα-helixtrans-67.2-36.7-179.8178.20000112L112 K119 I123 H161 I162 C163 L167 E168 S169L112-V165 HydrophobicContact CD1-CB 4.12Å; L112-V165 HydrophobicContact CD1-CG1 4.11Å; K119-V165 HydrophobicContact CG-CG2 4.28Å; I123-V165 HydrophobicContact CD1-CG2 4.3Å; H161-V165 WeakPolarHBondContact O-CG2 3.43Å; H161-V165 PolarHBondContact O-N 3.35Å; I162-V165 PolarHBondContact O-N 3.41Å; C163-V165 PolarHBondContact O-N 2.92Å; V165-L167 VanDerWaalsContact C-N 3.28Å; V165-L167 PolarHBondContact O-N 3.49Å; V165-E168 PolarHBondContact O-N 2.97Å; V165-S169 PolarHBondContact O-N 2.83Å
166M80.7Confident73.9Confident24 Ų2454.2 Ų54.212%0.11831%0.311CS..Hα-helixtrans-66-29.6175-74.3-177.27700113.3L16 F104 Q108 I162 C163 S164 S169L16-M166 HydrophobicContact CD2-CE 4.47Å; L16-M166 HydrophobicContact CD2-SD 3.8Å; F104-M166 HydrophobicContact CD1-CE 4.03Å; F104-M166 HydrophobicContact CD1-SD 3.82Å; F104-M166 HydrophobicContact CE1-CE 4.1Å; F104-M166 HydrophobicContact CE1-CG 4.4Å; F104-M166 HydrophobicContact CE1-SD 3.4Å; F104-M166 WeakPolarHBondContact CE1-SD 3.32Å; Q108-M166 PolarHBondContact NE2-O 3Å; I162-M166 HydrophobicContact CG2-CG 4.28Å; I162-M166 HydrophobicContact CG2-SD 4.12Å; I162-M166 WeakPolarHBondContact O-CG 3.27Å; I162-M166 PolarHBondContact O-N 2.7Å; C163-M166 PolarHBondContact O-N 3.03Å; S164-M166 PolarHBondContact O-N 3.11Å; M166-S169 CarbonylContact C-O 3.58Å; M166-S169 CarbonylContact O-C 3.49Å
167L78.3Confident72.5Confident51 Ų5155.8 Ų55.827%0.26732%0.322SS..Hα-helixtrans-75.7-41.7174.4-73.2164.3000111.2L10 V12 L14 C163 S164 V165 S169L10-L167 HydrophobicContact CD1-CD1 4.19Å; V12-L167 HydrophobicContact CB-CD2 3.77Å; V12-L167 HydrophobicContact CG1-CD2 3.36Å; V12-L167 HydrophobicContact CG2-CD2 4.11Å; L14-L167 HydrophobicContact CD1-CD1 4.12Å; L14-L167 HydrophobicContact CD1-CD2 4.08Å; L14-L167 HydrophobicContact CD1-CG 4.02Å; L14-L167 HydrophobicContact CD2-CD2 3.76Å; L14-L167 HydrophobicContact CD2-CG 4.13Å; L14-L167 HydrophobicContact CG-CD2 4.12Å; C163-L167 WeakPolarHBondContact O-CG 3.3Å; C163-L167 PolarHBondContact O-N 2.84Å; S164-L167 WeakPolarHBondContact O-CB 3.42Å; S164-L167 PolarHBondContact O-N 2.8Å; V165-L167 VanDerWaalsContact C-N 3.28Å; V165-L167 PolarHBondContact O-N 3.49Å; L167-S169 VanDerWaalsContact C-N 3.31Å; L167-S169 PolarHBondContact O-N 3.28Å
168E79.5Confident70.6Confident143 Ų14353.8 Ų53.867%0.66831%0.312SS*.Hα-helixtrans-67.1-33.8-179.3-142.317295.300112.2S164 V165S164-E168 WeakPolarHBondContact O-CB 3.14Å; S164-E168 PolarHBondContact O-N 3.14Å; V165-E168 PolarHBondContact O-N 2.97Å
169S71.1Confident68.6Low34 Ų3464 Ų6424%0.23835%0.35CS..SBendtrans-12399.8173.1-670000109.2Q108 S111 V165 M166 L167Q108-S169 PolarHBondContact NE2-O 3.06Å; Q108-S169 PolarHBondContact OE1-O 3.19Å; S111-S169 WeakPolarHBondContact CB-OG 3.34Å; S111-S169 WeakPolarHBondContact OG-CB 3.36Å; S111-S169 PolarHBondContact OG-OG 2.94Å; S111-S169 VanDerWaalsContact OG-OG 3.06Å; V165-S169 PolarHBondContact O-N 2.83Å; M166-S169 CarbonylContact C-O 3.58Å; M166-S169 CarbonylContact O-C 3.49Å; L167-S169 VanDerWaalsContact C-N 3.31Å; L167-S169 PolarHBondContact O-N 3.28Å
170P64.6Low66.8Low83 Ų8365.1 Ų65.154%0.53936%0.357SS..PPolyproline II helixtrans-72.2156170.227.5-32.8000111.2Q108 K172Q108-P170 PolarHBondContact OE1-O 2.93Å; P170-K172 PolarHBondContact O-N 3.04Å; P170-K172 VanDerWaalsContact O-N 3.09Å
171P60.7Low64.7Low68 Ų6867.1 Ų67.144%0.44237%0.369SS..PPolyproline II helixtrans-61.5117.1-176.524.1-31.8000110.5Q108 T175Q108-P171 VanDerWaalsContact CD-N 3.33Å; Q108-P171 HydrophobicContact CG-CB 3.86Å; P171-T175 HydrophobicContact CB-CG2 4.06Å
172K45.7Very low62.6Low182 Ų18267.5 Ų67.579%0.79138%0.375SS*.PPolyproline II helixtrans-82.2118.8173.4-63.4-176.5-179.6-179.50109.2S107 P170S107-K172 PolarHBondContact OG-N 3.37Å; S107-K172 PolarHBondContact OG-O 3.19Å; P170-K172 PolarHBondContact O-N 3.04Å; P170-K172 VanDerWaalsContact O-N 3.09Å
173G51Low60.5Low65 Ų6575.2 Ų75.267%0.6742%0.416SS*.SBendtrans92.8-177.8172.600000115.7T175G173-T175 PolarHBondContact O-N 2.84Å
174A50.2Low58.2Low90 Ų9079.9 Ų79.974%0.74445%0.446SS*.  trans-72.8118.3178.700000110.7
175T53.1Low56.3Low57 Ų5782.3 Ų82.335%0.3547%0.47SS..  trans-94124.6175.357.30000109.3P105 P171 G173 P177P105-T175 HydrophobicContact CB-CG2 3.44Å; P105-T175 VanDerWaalsContact CB-CG2 3.44Å; P105-T175 HydrophobicContact CG-CG2 3.63Å; P171-T175 HydrophobicContact CB-CG2 4.06Å; G173-T175 PolarHBondContact O-N 2.84Å; T175-P177 WeakPolarHBondContact O-CD 3.02Å
176I55.4Low54.2Low16 Ų1684.8 Ų84.88%0.08250%0.498CS..  trans-89.5102.4173.3-58175.7000107.8S141 T142 Y178 V304 Y307S141-I176 PolarHBondContact OG-O 3.5Å; T142-I176 HydrophobicContact CG2-CB 4.19Å; T142-I176 HydrophobicContact CG2-CD1 4.04Å; T142-I176 HydrophobicContact CG2-CG1 4.18Å; T142-I176 PolarHBondContact N-O 2.79Å; T142-I176 PolarHBondContact OG1-N 2.8Å; T142-I176 PolarHBondContact OG1-O 3.28Å; I176-Y178 PolarHBondContact O-N 3.15Å; I176-V304 HydrophobicContact CD1-CB 4.47Å; I176-V304 HydrophobicContact CD1-CG1 4.48Å; I176-V304 HydrophobicContact CD1-CG2 4.07Å; I176-Y307 HydrophobicContact CD1-CD1 3.71Å; I176-Y307 HydrophobicContact CD1-CE1 4.39Å; I176-Y307 HydrophobicContact CD1-CG 3.92Å; I176-Y307 HydrophobicContact CG1-CD1 3.79Å; I176-Y307 HydrophobicContact CG1-CE1 3.96Å; I176-Y307 HydrophobicContact CG1-CG 4.27Å; I176-Y307 HydrophobicContact CG2-CD1 4.05Å; I176-Y307 HydrophobicContact CG2-CD2 3.67Å; I176-Y307 HydrophobicContact CG2-CE1 4.07Å; I176-Y307 HydrophobicContact CG2-CE2 3.69Å; I176-Y307 HydrophobicContact CG2-CG 3.85Å
177P58.1Low52Low53 Ų5387.8 Ų87.834%0.34453%0.526SS..  trans-64.2130.1-179.626-33.3000110.2R17 T175 R179R17-P177 VanDerWaalsContact NH1-CA 3.26Å; T175-P177 WeakPolarHBondContact O-CD 3.02Å; P177-R179 PolarHBondContact O-N 3.37Å
178Y47.5Very low49.9Very low22 Ų2293.4 Ų93.49%0.08655%0.551CS.*  trans-55.5123.4170.8-178.1-116.1000108.5R17 L19 I58 L138 P139 S141 E143 I176 P180R17-Y178 PolarHBondContact NH2-O 3.06Å; L19-Y178 HydrophobicContact CD1-CD1 4.26Å; L19-Y178 HydrophobicContact CD1-CE1 4.07Å; I58-Y178 HydrophobicContact CD1-CD1 3.67Å; I58-Y178 HydrophobicContact CD1-CE1 4.48Å; I58-Y178 HydrophobicContact CD1-CG 4.43Å; I58-Y178 WeakPolarHBondContact CD1-O 3.4Å; I58-Y178 HydrophobicContact CG1-CD1 4.49Å; L138-Y178 HydrophobicContact CB-CD2 3.71Å; L138-Y178 HydrophobicContact CB-CE2 4.06Å; L138-Y178 HydrophobicContact CB-CG 4.12Å; L138-Y178 HydrophobicContact CD2-CD1 3.85Å; L138-Y178 HydrophobicContact CD2-CD2 4.08Å; L138-Y178 HydrophobicContact CD2-CE1 3.77Å; L138-Y178 HydrophobicContact CD2-CE2 3.97Å; L138-Y178 HydrophobicContact CD2-CG 4.04Å; L138-Y178 HydrophobicContact CG-CD2 4.44Å; L138-Y178 HydrophobicContact CG-CG 4.47Å; P139-Y178 WeakPolarHBondContact O-CD2 3.47Å; P139-Y178 WeakPolarHBondContact O-CE2 3.49Å; S141-Y178 WeakPolarHBondContact OG-CA 3.24Å; S141-Y178 WeakPolarHBondContact OG-CB 3.48Å; S141-Y178 PolarHBondContact OG-N 2.79Å; E143-Y178 VanDerWaalsContact OE2-CB 3.27Å; E143-Y178 WeakPolarHBondContact OE2-CB 3.47Å; E143-Y178 PolarHBondContact OE2-N 3Å; I176-Y178 PolarHBondContact O-N 3.15Å; Y178-P180 HydrophobicContact CE1-CB 4Å
179R47.5Very low47.9Very low215 Ų21590.9 Ų90.981%0.81155%0.554SS**  trans-113.8118163.8-87.9-171167.3173.6-3.2106.1P177 K181P177-R179 PolarHBondContact O-N 3.37Å; R179-K181 PolarHBondContact O-N 2.96Å
180P49.2Very low46.2Very low25 Ų2595.3 Ų95.316%0.16258%0.579CS.*  trans-59.9115.917324.3-30.4000107.3Y178 V182Y178-P180 HydrophobicContact CE1-CB 4Å; P180-V182 PolarHBondContact O-N 3.35Å
181K41.8Very low44.9Very low142 Ų14298.7 Ų98.762%0.61759%0.592SS**PPolyproline II helixtrans-65.1128.4169.4-98.6172.4178.8154.80107.1S54 D140 R179 L183S54-K181 PolarHBondContact OG-O 3.03Å; S54-K181 VanDerWaalsContact OG-O 3.11Å; D140-K181 IonicContact OD1-NZ 3.97Å; D140-K181 PolarHBondContact OD1-NZ 3.24Å; D140-K181 IonicContact OD2-NZ 3.57Å; R179-K181 PolarHBondContact O-N 2.96Å; K181-L183 PolarHBondContact O-N 3.05Å
182V42.7Very low43.6Very low72 Ų7299.2 Ų99.244%0.43660%0.602SS.*PPolyproline II helixtrans-69.8117.4149.1-710000105.3P180 P184P180-V182 PolarHBondContact O-N 3.35Å; V182-P184 VanDerWaalsContact O-CD 3.24Å; V182-P184 WeakPolarHBondContact O-CD 3.43Å
183L43.7Very low43.3Very low163 Ų16396.4 Ų96.485%0.85360%0.602SS**PPolyproline II helixtrans-64.4117.1156.6-78.8151.1000104.7K181 A185K181-L183 PolarHBondContact O-N 3.05Å; L183-A185 PolarHBondContact O-N 3.24Å
184P36Very low42.5Very low101 Ų101102.6 Ų102.666%0.65661%0.614SS**  trans-63.1108.4170.215.8-13.4000107V182 G186V182-P184 VanDerWaalsContact O-CD 3.24Å; V182-P184 WeakPolarHBondContact O-CD 3.43Å; P184-G186 PolarHBondContact O-N 3.49Å
185A41.3Very low41.7Very low113 Ų113107 Ų10793%0.93462%0.619SS**THydrogen-bonded Turntrans-60.890.2159.900000106.6L183L183-A185 PolarHBondContact O-N 3.24Å
186G39.3Very low40.7Very low62 Ų62109.5 Ų109.564%0.63964%0.638SS**THydrogen-bonded Turntrans160.3-8.4-175.700000116.7P184 H188P184-G186 PolarHBondContact O-N 3.49Å; G186-H188 PolarHBondContact O-N 3.21Å
187A36.1Very low39.5Very low86 Ų86113.6 Ų113.671%0.71167%0.674SS**  trans-89.291.9167.600000108.9A189A187-A189 PolarHBondContact O-N 2.96Å
188H34.3Very low38.3Very low170 Ų170120.6 Ų120.679%0.78770%0.703SS**  trans-41.5130.2163.3-74.3-104.2000109.1G186 V190G186-H188 PolarHBondContact O-N 3.21Å; H188-V190 PolarHBondContact O-N 3.13Å
189A36Very low37.3Very low89 Ų89124.1 Ų124.174%0.73674%0.736SS**  trans-5887.9160.400000107.8A187 L191A187-A189 PolarHBondContact O-N 2.96Å; A189-L191 PolarHBondContact O-N 3.45Å
190V35.9Very low36.5Very low127 Ų127124 Ų12477%0.7774%0.742SS**  trans-72.485.2153.8171.10000104.6H188 A192H188-V190 PolarHBondContact O-N 3.13Å; V190-A192 PolarHBondContact O-N 2.78Å
191L38.1Very low35.6Very low155 Ų155126.6 Ų126.681%0.81277%0.766SS**  trans-52.396.5152.3-81.5148.5000106.5A189A189-L191 PolarHBondContact O-N 3.45Å
192A33.2Very low35.1Very low79 Ų79127.9 Ų127.965%0.65378%0.778SS**  trans-67.3138.316100000108V190V190-A192 PolarHBondContact O-N 2.78Å
193P37.8Very low34.6Very low123 Ų123130.4 Ų130.480%0.79980%0.796SS**  trans-77.6131.4-162.4-6.424.5000111.1H195P193-H195 PolarHBondContact O-N 2.76Å
194Q34.4Very low33.9Very low195 Ų195126 Ų12691%0.91179%0.79SS**  trans-75.2110.7158.4-74.7-145.2-60.400109.6
195H35Very low33.4Very low183 Ų183129.6 Ų129.685%0.84780%0.798SS**  trans-79.3139.1144.1-79.4154.1000106.8P193P193-H195 PolarHBondContact O-N 2.76Å
196S30.5Very low32.9Very low108 Ų108134.2 Ų134.276%0.75579%0.792SS**  cis-169.5111.40.444.70000105.6
197A31.8Very low32.3Very low102 Ų102134.3 Ų134.384%0.84379%0.787SS**  trans-114.2120.7164.300000107.1A199A197-A199 PolarHBondContact O-N 3.21Å
198Q31.4Very low32Very low201 Ų201139.9 Ų139.994%0.93980%0.796SS**PPolyproline II helixtrans-62.8122.5-172.5-64.5178.1-6500110.7
199A26.4Very low31.6Very low95 Ų95136.2 Ų136.279%0.78580%0.795SS**PPolyproline II helixtrans-91.2127.8167.900000109.1A197A197-A199 PolarHBondContact O-N 3.21Å
200F31.3Very low31.5Very low212 Ų212139.3 Ų139.393%0.9379%0.794SS**PPolyproline II helixtrans-102.9126.9155.7-114.9-92.2000107.7
201A29.6Very low31.4Very low81 Ų81140.2 Ų140.267%0.66979%0.789SS**PPolyproline II helixtrans-77.8158.1-17600000112.8
202I31.9Very low31Very low169 Ų169140 Ų14087%0.86779%0.789SS**  -164.1134.4124.7-77.5130.9000108
203P31.8Very low31.1Very low125 Ų125142.9 Ų142.981%0.81279%0.793SS**  trans-101.4151.9-173.837.5-30.9000113.7
204G28.7Very low31.2Very low71 Ų71142.3 Ų142.373%0.73279%0.787SS**  trans161.2100.3160.100000118.2
205Q26.9Very low31.3Very low175 Ų175142.7 Ų142.782%0.81879%0.786SS**  84.2116.5121.5-132.31449.300122.3
206Y31.3Very low31.5Very low211 Ų211142.2 Ų142.283%0.82779%0.789SS**  trans63.3160.9153.9-82.5-117.7000118.1
207A25.7Very low32Very low63 Ų63145.2 Ų145.252%0.52179%0.79SS.*  cis-175.6149.9-3400000106
208F30.3Very low32.3Very low204 Ų204148.6 Ų148.690%0.89579%0.789SS**  trans66.2138.4159.6-56.4-71.6000123.7
209A25.8Very low32.8Very low93 Ų93147.1 Ų147.177%0.76979%0.786SS**  trans86.1115.2133.600000123.1
210H34.3Very low33.2Very low154 Ų154147.1 Ų147.171%0.71379%0.786SS**  77.3134.4122.8-147.1-127.9000122.5
211Q34.4Very low33.6Very low145 Ų145145.3 Ų145.368%0.67878%0.783SS**  trans31.7131.2150.7-75.6-179-13.400120.5
212D27.9Very low34Very low150 Ų150150 Ų15080%0.80279%0.791SS**  -176.416795.7-131-78.9000113.1
213L36.5Very low34Very low141 Ų141150.2 Ų150.274%0.73879%0.788SS**  trans-86.3172.1-167.8-144.5133.2000112
214T38.6Very low34.2Very low111 Ų111150.9 Ų150.968%0.68178%0.783SS**  trans74.6115.3163.154.10000120.2
215K36.5Very low34.4Very low203 Ų203153.5 Ų153.588%0.88379%0.787SS**  16379.4119.6-86.3173.8-176.1-179.50112.1
216L39.9Very low34.7Very low173 Ų173152.5 Ų152.591%0.90679%0.787SS**  trans-115.767163.7-115.4173000108.8
217H40.8Very low35.1Very low171 Ų171148.1 Ų148.179%0.79278%0.784SS**  trans-162.883.3172.5-131.286.9000113.6
218Q38.2Very low35.2Very low173 Ų173149.9 Ų149.981%0.80879%0.792SS**  trans174.3127.5156.2-124.7103.38100103.7
219L41.3Very low35.3Very low170 Ų170148.6 Ų148.689%0.8979%0.794SS**  cis-147.5122.338.9-65.2100.2000110.2
220A35.7Very low35.5Very low94 Ų94147.7 Ų147.778%0.77779%0.794SS**  trans-98.4142.4151.100000108.1
221M40.5Very low35.5Very low175 Ų175149.2 Ų149.286%0.86280%0.801SS**  trans109.2138.5155-59.5-155.174.700120
222Q36.8Very low35.3Very low179 Ų179147.3 Ų147.384%0.83680%0.804SS**  trans97.4130.1162.8-59-173.492.200115
223H32.6Very low35.4Very low173 Ų173147.4 Ų147.480%0.80180%0.804SS**  cis-167.6161-3.4-164.1-104.2000108.4
224I35.3Very low35.4Very low140 Ų140145.4 Ų145.472%0.71880%0.8SS**  trans-77.7151.7-178.8-67.4151.8000111.2
225P33.4Very low34.9Very low126 Ų126146.2 Ų146.282%0.81881%0.805SS**  -140.9148.395.721.12.9000117.7
226L33.6Very low34.8Very low154 Ų154145.3 Ų145.381%0.80680%0.801SS**  trans-76155.7165.5-158.181.7000110.9
227P39.4Very low34.8Very low119 Ų119142.5 Ų142.577%0.77379%0.793SS**  -146.3178.195.432.4-12.7000111.5
228S27.1Very low34.8Very low99 Ų99137.7 Ų137.769%0.69279%0.79SS**  cis-172.8137.9-25.6179.40000106.4
229L33.8Very low34.8Very low178 Ų178137.3 Ų137.393%0.93279%0.792SS**  trans52127.3151.7-120.968.1000124.1
230G29.2Very low34.6Very low74 Ų74135.8 Ų135.876%0.76379%0.785SS**  trans175.779160.100000116.7
231Q34Very low34.8Very low186 Ų186135.6 Ų135.687%0.86978%0.784SS**  trans28.5127.5145.1-105.1161.1-22.300124.4
232S30Very low35Very low105 Ų105132.6 Ų132.673%0.73478%0.78SS**  trans78125.1134.261.50000123.6
233N30.7Very low35.7Very low152 Ų152127.1 Ų127.181%0.81377%0.765SS**  trans78.9131.1153.8-86.230.9000122.1T235N233-T235 PolarHBondContact O-N 2.76Å
234P36.4Very low36.8Very low99 Ų99124.1 Ų124.164%0.64376%0.761SS**  trans-85.2113.5-178.734-29.6000110.7F236P234-F236 HydrophobicContact CB-CD2 4.35Å; P234-F236 HydrophobicContact CB-CE2 3.78Å; P234-F236 HydrophobicContact CB-CZ 4.43Å
235T28.9Very low38.2Very low127 Ų127122.8 Ų122.878%0.77976%0.76SS**  trans-121.7116.5157.2-470000105N233 P237N233-T235 PolarHBondContact O-N 2.76Å; T235-P237 VanDerWaalsContact O-CD 3.26Å; T235-P237 WeakPolarHBondContact O-CD 3.38Å
236F34.3Very low40.3Very low185 Ų185119.3 Ų119.381%0.81174%0.738SS**  trans-99.3105.5175.8-62.5-91.3000108.3P234P234-F236 HydrophobicContact CB-CD2 4.35Å; P234-F236 HydrophobicContact CB-CE2 3.78Å; P234-F236 HydrophobicContact CB-CZ 4.43Å
237P38.9Very low42.6Very low114 Ų114115.8 Ų115.874%0.7472%0.723SS**  trans-91.1120.5157.7811.4000108.9T235T235-P237 VanDerWaalsContact O-CD 3.26Å; T235-P237 WeakPolarHBondContact O-CD 3.38Å
238G40.4Very low44.6Very low70 Ų70114.1 Ų114.172%0.72271%0.705SS**  trans5096.4150.800000118.3
239L38.7Very low47.3Very low164 Ų164115.2 Ų115.286%0.85970%0.699SS**  trans-90.496.5148.5-89.795.8000108.4A241L239-A241 VanDerWaalsContact C-N 3.32Å; L239-A241 PolarHBondContact O-N 2.88Å; L239-A241 VanDerWaalsContact O-N 3.14Å
240D36.8Very low49.6Very low138 Ų138107.8 Ų107.874%0.73866%0.66SS**  trans-71.894.3154.261.1-64.7000108S242D240-S242 PolarHBondContact O-N 2.94Å
241A40Very low52Low90 Ų90107.1 Ų107.174%0.74465%0.648SS**  trans-65.5102.5170.100000108.6L239 A243L239-A241 VanDerWaalsContact C-N 3.32Å; L239-A241 PolarHBondContact O-N 2.88Å; L239-A241 VanDerWaalsContact O-N 3.14Å; A241-A243 PolarHBondContact O-N 3.35Å
242S45.5Very low54.2Low112 Ų11298.4 Ų98.478%0.78361%0.607SS**  trans-62.976.2162.6-70.60000109.6D240D240-S242 PolarHBondContact O-N 2.94Å
243A50.8Low56.5Low64 Ų6495.8 Ų95.853%0.52959%0.588SS.*  trans-64.3141.5156.400000107.5A241 T245A241-A243 PolarHBondContact O-N 3.35Å; A243-T245 VanDerWaalsContact C-N 3.33Å; A243-T245 PolarHBondContact O-N 2.83Å
244P56.6Low58.5Low110 Ų11090.9 Ų90.971%0.71456%0.562SS**  trans-61.997.2176.725.3-33000109.2S246P244-S246 PolarHBondContact O-N 2.97Å
245T63.3Low60.5Low112 Ų11292.8 Ų92.869%0.68757%0.566SS**  trans-73.2106.8170.7410000107.4A243A243-T245 VanDerWaalsContact C-N 3.33Å; A243-T245 PolarHBondContact O-N 2.83Å
246S77.6Confident62.8Low53 Ų5389.5 Ų89.537%0.37154%0.541SS..EExtended strand (participates in β ladder)trans-83.5153.4170.1-177.30000108.8P244 S296 G297 I302P244-S246 PolarHBondContact O-N 2.97Å; S246-S296 WeakPolarHBondContact O-CA 3.28Å; S246-G297 PolarHBondContact N-O 3.11Å; S246-G297 PolarHBondContact O-N 2.97Å; S246-I302 VanDerWaalsContact C-CD1 3.49Å; S246-I302 VanDerWaalsContact O-CD1 3.22Å; S246-I302 WeakPolarHBondContact O-CD1 3.33Å
247T81.9Confident64.8Low80 Ų8081.2 Ų81.249%0.49151%0.505SS..EExtended strand (participates in β ladder)trans-129.3128.4175.3-61.90000108.5T294 I295 S296T247-T294 HydrophobicContact CG2-CG2 3.4Å; T247-T294 VanDerWaalsContact CG2-CG2 3.4Å; T247-I295 CarbonylContact C-O 3.54Å; T247-I295 WeakPolarHBondContact CA-O 3.22Å; T247-S296 WeakPolarHBondContact CG2-OG 3.29Å; T247-S296 PolarHBondContact OG1-OG 2.87Å
248Q80.8Confident66.6Low85 Ų8578 Ų7840%0.39749%0.493SS..EExtended strand (participates in β ladder)trans-124130.2-178-174.2108.339.900109I295 I302Q248-I295 PolarHBondContact N-O 3.18Å; Q248-I295 PolarHBondContact O-N 3.32Å; Q248-I302 HydrophobicContact CB-CG2 3.56Å; Q248-I302 HydrophobicContact CG-CG2 4.15Å
249E83.8Confident68.3Low122 Ų12277.8 Ų77.857%0.5748%0.479SS*.EExtended strand (participates in β ladder)trans-102.8138.6175.8-62.7-166.3111.700111V293 T294E249-V293 WeakPolarHBondContact CA-O 3.33Å; E249-T294 HydrophobicContact CG-CG2 4.14Å; E249-T294 PolarHBondContact OE1-OG1 2.78Å
250L82.2Confident70.3Confident21 Ų2170 Ų7011%0.1144%0.439CS..EExtended strand (participates in β ladder)trans-131.7128.2-178.5-158.7142.8000109.5I252 V293 Q306 I309L250-I252 HydrophobicContact CD2-CD1 3.66Å; L250-I252 HydrophobicContact CD2-CG1 3.25Å; L250-V293 PolarHBondContact N-O 3.34Å; L250-V293 PolarHBondContact O-N 3.48Å; L250-Q306 HydrophobicContact CD1-CG 3.62Å; L250-I309 HydrophobicContact CD2-CG2 4.43Å
251A79.8Confident72.5Confident61 Ų6165.4 Ų65.450%0.50441%0.414SS..EExtended strand (participates in β ladder)trans-95123.5177.300000109.9M290A251-M290 HydrophobicContact CB-CB 4.37Å; A251-M290 HydrophobicContact CB-SD 4.17Å
252I80.1Confident74.4Confident2 Ų262.3 Ų62.31%0.0139%0.391CS..EExtended strand (participates in β ladder)trans-125.3130-177.1-52.7-178.4000108.9L250 N254 F256 I257 I260 M290 R291 V293 I309 V313L250-I252 HydrophobicContact CD2-CD1 3.66Å; L250-I252 HydrophobicContact CD2-CG1 3.25Å; I252-N254 PolarHBondContact O-N 3.19Å; I252-F256 HydrophobicContact CG2-CB 4.23Å; I252-I257 HydrophobicContact CB-CD1 4.27Å; I252-I257 HydrophobicContact CD1-CD1 4.24Å; I252-I257 HydrophobicContact CG2-CD1 4.45Å; I252-I260 HydrophobicContact CB-CD1 4.49Å; I252-I260 HydrophobicContact CD1-CD1 3.42Å; I252-I260 VanDerWaalsContact CD1-CD1 3.42Å; I252-I260 HydrophobicContact CG1-CD1 4.44Å; I252-I260 HydrophobicContact CG2-CD1 3.6Å; I252-M290 CarbonylContact O-C 3.57Å; I252-R291 PolarHBondContact N-O 3.14Å; I252-R291 PolarHBondContact O-N 3.3Å; I252-V293 HydrophobicContact CD1-CB 4.37Å; I252-V293 HydrophobicContact CD1-CG2 3.63Å; I252-V293 HydrophobicContact CG1-CG2 4.17Å; I252-I309 HydrophobicContact CD1-CG2 3.33Å; I252-V313 HydrophobicContact CG2-CG2 3.87Å
253P79.1Confident75.9Confident51 Ų5168.2 Ų68.233%0.33140%0.396SS..EExtended strand (participates in β ladder)trans-54.4141.4175.3-22.631.7000112.1D255 F256 I257 A289P253-D255 PolarHBondContact O-N 3.45Å; P253-D255 VanDerWaalsContact O-N 3.12Å; P253-F256 HydrophobicContact CB-CD2 3.75Å; P253-F256 HydrophobicContact CB-CE2 4.15Å; P253-F256 HydrophobicContact CG-CD2 3.82Å; P253-F256 HydrophobicContact CG-CE2 4.13Å; P253-F256 PolarHBondContact O-N 2.91Å; P253-I257 PolarHBondContact O-N 3.01Å; P253-A289 CarbonylContact C-O 3.5Å; P253-A289 VanDerWaalsContact CA-O 3.29Å; P253-A289 WeakPolarHBondContact CA-O 3.38Å
254N73.4Confident77.1Confident49 Ų4974.5 Ų74.526%0.26241%0.414SS..Hα-helixtrans-59.4-26.5-178.5-77.5-85.5000112.7I252 F256 I257 S288 A289 M290I252-N254 PolarHBondContact O-N 3.19Å; N254-F256 VanDerWaalsContact C-N 3.29Å; N254-F256 PolarHBondContact O-N 3.49Å; N254-I257 VanDerWaalsContact O-CG2 3.26Å; N254-I257 WeakPolarHBondContact O-CG2 3.49Å; N254-I257 PolarHBondContact O-N 3.39Å; N254-S288 PolarHBondContact ND2-O 2.63Å; N254-A289 PolarHBondContact N-O 3.48Å; N254-A289 PolarHBondContact ND2-O 3.22Å; N254-A289 VanDerWaalsContact ND2-O 3.1Å; N254-M290 PolarHBondContact ND2-N 2.93Å
255D78.1Confident78.2Confident139 Ų13970 Ų7074%0.74339%0.388SS*.Hα-helixtrans-61.6-37.6176.7-140-95.8000112.3P253P253-D255 PolarHBondContact O-N 3.45Å; P253-D255 VanDerWaalsContact O-N 3.12Å
256F76.6Confident79.1Confident58 Ų5868.5 Ų68.525%0.25438%0.382SS..Hα-helixtrans-94.4-11.5-176.3-54.3-62.3000113.8I252 P253 N254 G258 C259 I260 V313 S316I252-F256 HydrophobicContact CG2-CB 4.23Å; P253-F256 HydrophobicContact CB-CD2 3.75Å; P253-F256 HydrophobicContact CB-CE2 4.15Å; P253-F256 HydrophobicContact CG-CD2 3.82Å; P253-F256 HydrophobicContact CG-CE2 4.13Å; P253-F256 PolarHBondContact O-N 2.91Å; N254-F256 VanDerWaalsContact C-N 3.29Å; N254-F256 PolarHBondContact O-N 3.49Å; F256-G258 VanDerWaalsContact C-N 3.26Å; F256-G258 PolarHBondContact O-N 3.29Å; F256-C259 PolarHBondContact O-N 2.97Å; F256-I260 WeakPolarHBondContact O-CG1 3.33Å; F256-I260 PolarHBondContact O-N 2.78Å; F256-V313 HydrophobicContact CB-CG1 4.14Å; F256-V313 HydrophobicContact CB-CG2 4.36Å; F256-V313 HydrophobicContact CD2-CG1 4.23Å; F256-V313 HydrophobicContact CG-CG1 4.15Å; F256-S316 WeakPolarHBondContact CD1-OG 3.29Å
257I77.3Confident79.3Confident10 Ų1068.1 Ų68.15%0.05137%0.374CS..Hα-helixtrans-64.5-33.5-178.5-158.378.1000111.8I252 P253 N254 C259 I260 I261 I281 R291 V293I252-I257 HydrophobicContact CB-CD1 4.27Å; I252-I257 HydrophobicContact CD1-CD1 4.24Å; I252-I257 HydrophobicContact CG2-CD1 4.45Å; P253-I257 PolarHBondContact O-N 3.01Å; N254-I257 VanDerWaalsContact O-CG2 3.26Å; N254-I257 WeakPolarHBondContact O-CG2 3.49Å; N254-I257 PolarHBondContact O-N 3.39Å; I257-C259 VanDerWaalsContact C-N 3.26Å; I257-C259 PolarHBondContact O-N 3.47Å; I257-I260 HydrophobicContact CD1-CD1 4.38Å; I257-I260 PolarHBondContact O-N 3.33Å; I257-I260 VanDerWaalsContact O-N 3.11Å; I257-I261 HydrophobicContact CG1-CD1 3.75Å; I257-I261 HydrophobicContact CG1-CG1 4.23Å; I257-I261 WeakPolarHBondContact O-CG1 3.41Å; I257-I261 PolarHBondContact O-N 3.24Å; I257-I281 HydrophobicContact CD1-CG2 4.15Å; I257-I281 HydrophobicContact CG1-CG2 4.31Å; I257-R291 HydrophobicContact CD1-CB 4.39Å; I257-R291 HydrophobicContact CD1-CG 4.38Å; I257-R291 HydrophobicContact CG1-CG 4.45Å; I257-V293 HydrophobicContact CD1-CG2 3.84Å
258G75.7Confident79.5Confident46 Ų4664.8 Ų64.847%0.47435%0.353SS..Hα-helixtrans-60.4-35.9178.400000112.7F256 I260 G262F256-G258 VanDerWaalsContact C-N 3.26Å; F256-G258 PolarHBondContact O-N 3.29Å; G258-I260 VanDerWaalsContact C-N 3.34Å; G258-G262 WeakPolarHBondContact O-CA 3.33Å; G258-G262 PolarHBondContact O-N 2.93Å
259C77.2Confident79.7Confident66 Ų6665.1 Ų65.145%0.44636%0.357SS..Hα-helixtrans-72.1-28.6177.3-61.30000113F256 I257F256-C259 PolarHBondContact O-N 2.97Å; I257-C259 VanDerWaalsContact C-N 3.26Å; I257-C259 PolarHBondContact O-N 3.47Å
260I79.9Confident79.6Confident1 Ų163.6 Ų63.61%0.00535%0.35CS..Hα-helixtrans-81.2-38.5-179.8-59.6163.8000110.4I252 F256 I257 G258 K267 I268 I271 I309 R312 V313I252-I260 HydrophobicContact CB-CD1 4.49Å; I252-I260 HydrophobicContact CD1-CD1 3.42Å; I252-I260 VanDerWaalsContact CD1-CD1 3.42Å; I252-I260 HydrophobicContact CG1-CD1 4.44Å; I252-I260 HydrophobicContact CG2-CD1 3.6Å; F256-I260 WeakPolarHBondContact O-CG1 3.33Å; F256-I260 PolarHBondContact O-N 2.78Å; I257-I260 HydrophobicContact CD1-CD1 4.38Å; I257-I260 PolarHBondContact O-N 3.33Å; I257-I260 VanDerWaalsContact O-N 3.11Å; G258-I260 VanDerWaalsContact C-N 3.34Å; I260-K267 CarbonylContact O-C 3.59Å; I260-I268 HydrophobicContact CG2-CD1 4.48Å; I260-I268 PolarHBondContact O-N 3.22Å; I260-I268 VanDerWaalsContact O-N 3.14Å; I260-I271 HydrophobicContact CG2-CD1 4.24Å; I260-I309 HydrophobicContact CD1-CG2 4.08Å; I260-I309 HydrophobicContact CG2-CG1 4.19Å; I260-I309 HydrophobicContact CG2-CG2 4.27Å; I260-R312 HydrophobicContact CG1-CB 4.25Å; I260-V313 HydrophobicContact CD1-CG2 3.31Å; I260-V313 HydrophobicContact CG1-CG2 4.02Å
261I82.8Confident79.8Confident42 Ų4262.8 Ų62.822%0.21535%0.346CS..Hα-helixtrans-72.3-45.4175.4-62.6169.7000110.3I257 G265 K267 I268 I281I257-I261 HydrophobicContact CG1-CD1 3.75Å; I257-I261 HydrophobicContact CG1-CG1 4.23Å; I257-I261 WeakPolarHBondContact O-CG1 3.41Å; I257-I261 PolarHBondContact O-N 3.24Å; I261-G265 CarbonylContact O-C 3.58Å; I261-G265 WeakPolarHBondContact O-CA 3.49Å; I261-K267 WeakPolarHBondContact O-CB 3.42Å; I261-K267 PolarHBondContact O-N 3.39Å; I261-K267 VanDerWaalsContact O-N 3.07Å; I261-I268 HydrophobicContact CB-CG2 4.44Å; I261-I268 HydrophobicContact CG2-CG2 4.09Å; I261-I268 PolarHBondContact O-N 3.39Å; I261-I268 VanDerWaalsContact O-N 3.1Å; I261-I281 HydrophobicContact CD1-CD1 3.99Å; I261-I281 HydrophobicContact CG1-CD1 3.59Å
262G79.6Confident80Confident25 Ų2564.6 Ų64.626%0.25834%0.34SS..  trans74.4170.2-173.900000113.1G258 Q264 G265G258-G262 WeakPolarHBondContact O-CA 3.33Å; G258-G262 PolarHBondContact O-N 2.93Å; G262-Q264 PolarHBondContact O-N 3.4Å; G262-G265 PolarHBondContact O-N 3.41Å; G262-G265 VanDerWaalsContact O-N 3.11Å
263R77.6Confident80.2Confident235 Ų23572.1 Ų72.189%0.88738%0.375SS*.G310 helixtrans-57.9127.6174.7-65.7-176.2-171.2172.52.7109G265 S266R263-G265 PolarHBondContact O-N 3.03Å; R263-G265 VanDerWaalsContact O-N 3.14Å; R263-S266 PolarHBondContact O-N 2.83Å; R263-S266 PolarHBondContact O-OG 3.01Å
264Q76Confident80.5Confident196 Ų19673.5 Ų73.592%0.91638%0.382SS*.G310 helixtrans57.719.8-177.3-61.3-71.788.400115.5G262 S266G262-Q264 PolarHBondContact O-N 3.4Å; Q264-S266 PolarHBondContact O-N 2.88Å
265G79.3Confident80.9Confident16 Ų1671.5 Ų71.517%0.16537%0.372CS..G310 helixtrans73.89.2-178.900000114.7I261 G262 R263 K267 I268 N269I261-G265 CarbonylContact O-C 3.58Å; I261-G265 WeakPolarHBondContact O-CA 3.49Å; G262-G265 PolarHBondContact O-N 3.41Å; G262-G265 VanDerWaalsContact O-N 3.11Å; R263-G265 PolarHBondContact O-N 3.03Å; R263-G265 VanDerWaalsContact O-N 3.14Å; G265-K267 PolarHBondContact O-N 3.11Å; G265-I268 WeakPolarHBondContact O-CG2 3.38Å; G265-I268 PolarHBondContact O-N 2.89Å; G265-N269 WeakPolarHBondContact O-CB 3.42Å; G265-N269 PolarHBondContact O-N 2.95Å
266S81.9Confident81.1Confident80 Ų8067.8 Ų67.856%0.55937%0.367SS*.Hα-helixtrans-58.3-35-178.2-57.40000112.4R263 Q264 E270R263-S266 PolarHBondContact O-N 2.83Å; R263-S266 PolarHBondContact O-OG 3.01Å; Q264-S266 PolarHBondContact O-N 2.88Å; S266-E270 PolarHBondContact O-N 2.79Å
267K82.1Confident81.5Confident45 Ų4565.3 Ų65.320%0.19636%0.357CS..Hα-helixtrans-77.9-42.8-175.8-159.472.9-166.9159.30112.3I260 I261 G265 N269 E270 I271 R312I260-K267 CarbonylContact O-C 3.59Å; I261-K267 WeakPolarHBondContact O-CB 3.42Å; I261-K267 PolarHBondContact O-N 3.39Å; I261-K267 VanDerWaalsContact O-N 3.07Å; G265-K267 PolarHBondContact O-N 3.11Å; K267-N269 PolarHBondContact O-N 3.42Å; K267-E270 IonicContact NZ-OE1 2.79Å; K267-E270 PolarHBondContact NZ-OE1 3.41Å; K267-E270 IonicContact NZ-OE2 2.88Å; K267-E270 PolarHBondContact NZ-OE2 3.3Å; K267-E270 WeakPolarHBondContact O-CB 3.47Å; K267-E270 PolarHBondContact O-N 3.21Å; K267-I271 VanDerWaalsContact O-CG1 3.25Å; K267-I271 WeakPolarHBondContact O-CG1 3.24Å; K267-I271 PolarHBondContact O-N 3.1Å; K267-R312 VanDerWaalsContact CE-CZ 3.47Å
268I86Confident81.9Confident10 Ų1071 Ų715%0.05138%0.383CS..Hα-helixtrans-65.1-34.1173.5-175.364.4000111.2I260 I261 G265 I271 R272 I279 I281I260-I268 HydrophobicContact CG2-CD1 4.48Å; I260-I268 PolarHBondContact O-N 3.22Å; I260-I268 VanDerWaalsContact O-N 3.14Å; I261-I268 HydrophobicContact CB-CG2 4.44Å; I261-I268 HydrophobicContact CG2-CG2 4.09Å; I261-I268 PolarHBondContact O-N 3.39Å; I261-I268 VanDerWaalsContact O-N 3.1Å; G265-I268 WeakPolarHBondContact O-CG2 3.38Å; G265-I268 PolarHBondContact O-N 2.89Å; I268-I271 PolarHBondContact O-N 3.14Å; I268-R272 VanDerWaalsContact O-CG 3.29Å; I268-R272 WeakPolarHBondContact O-CG 3.23Å; I268-R272 PolarHBondContact O-N 3.43Å; I268-I279 HydrophobicContact CD1-CB 4.33Å; I268-I279 HydrophobicContact CD1-CD1 4.27Å; I268-I279 HydrophobicContact CD1-CG2 3.81Å; I268-I281 HydrophobicContact CD1-CD1 4.03Å; I268-I281 HydrophobicContact CG1-CD1 3.9Å
269N84.4Confident82.5Confident92 Ų9268.8 Ų68.849%0.49236%0.36SS..Hα-helixtrans-66.1-41.8176.5-157.944.5000111.7G265 K267 R272 Q273G265-N269 WeakPolarHBondContact O-CB 3.42Å; G265-N269 PolarHBondContact O-N 2.95Å; K267-N269 PolarHBondContact O-N 3.42Å; N269-R272 PolarHBondContact O-N 3.18Å; N269-Q273 WeakPolarHBondContact O-CB 3.31Å; N269-Q273 PolarHBondContact O-N 3.07Å
270E83.6Confident82.7Confident91 Ų9172.3 Ų72.343%0.42537%0.368SS..Hα-helixtrans-59.8-44.8171.7-172.3-168.8136.100111.4S266 K267 R272 Q273 V274S266-E270 PolarHBondContact O-N 2.79Å; K267-E270 IonicContact NZ-OE1 2.79Å; K267-E270 PolarHBondContact NZ-OE1 3.41Å; K267-E270 IonicContact NZ-OE2 2.88Å; K267-E270 PolarHBondContact NZ-OE2 3.3Å; K267-E270 WeakPolarHBondContact O-CB 3.47Å; K267-E270 PolarHBondContact O-N 3.21Å; E270-R272 PolarHBondContact O-N 3.04Å; E270-Q273 PolarHBondContact O-N 3Å; E270-V274 HydrophobicContact CG-CG2 4.3Å; E270-V274 WeakPolarHBondContact O-CB 3.39Å; E270-V274 VanDerWaalsContact O-CG2 3.24Å; E270-V274 WeakPolarHBondContact O-CG2 3.4Å; E270-V274 PolarHBondContact O-N 2.96Å
271I85.2Confident82.9Confident3 Ų374 Ų742%0.01538%0.376CS..Hα-helixtrans-63.2-41.9178.8-64.9166.2000111I260 K267 I268 Q273 S275 I279 L308 I309 R312I260-I271 HydrophobicContact CG2-CD1 4.24Å; K267-I271 VanDerWaalsContact O-CG1 3.25Å; K267-I271 WeakPolarHBondContact O-CG1 3.24Å; K267-I271 PolarHBondContact O-N 3.1Å; I268-I271 PolarHBondContact O-N 3.14Å; I271-Q273 VanDerWaalsContact C-N 3.35Å; I271-S275 VanDerWaalsContact O-CB 3.23Å; I271-S275 WeakPolarHBondContact O-CB 3.26Å; I271-S275 PolarHBondContact O-N 3.01Å; I271-S275 PolarHBondContact O-OG 3.42Å; I271-I279 HydrophobicContact CB-CD1 4.46Å; I271-I279 HydrophobicContact CG2-CD1 3.65Å; I271-L308 HydrophobicContact CG1-CB 4.2Å; I271-L308 HydrophobicContact CG2-CB 3.88Å; I271-L308 HydrophobicContact CG2-CD1 4.08Å; I271-I309 HydrophobicContact CD1-CG1 4.49Å; I271-I309 HydrophobicContact CG2-CG1 4.17Å; I271-R312 HydrophobicContact CD1-CG 4.46Å
272R84.4Confident82.7Confident99 Ų9973.7 Ų73.737%0.37438%0.38SS..Hα-helixtrans-60.5-44.3173.6-72.7171.6177.81791.9111.4I268 N269 E270 S275 G276 I279I268-R272 VanDerWaalsContact O-CG 3.29Å; I268-R272 WeakPolarHBondContact O-CG 3.23Å; I268-R272 PolarHBondContact O-N 3.43Å; N269-R272 PolarHBondContact O-N 3.18Å; E270-R272 PolarHBondContact O-N 3.04Å; R272-S275 PolarHBondContact O-OG 3.11Å; R272-G276 WeakPolarHBondContact O-CA 3.41Å; R272-G276 PolarHBondContact O-N 3.43Å; R272-I279 HydrophobicContact CB-CD1 4.46Å; R272-I279 HydrophobicContact CG-CB 3.96Å; R272-I279 HydrophobicContact CG-CD1 3.73Å; R272-I279 HydrophobicContact CG-CG1 4.13Å; R272-I279 PolarHBondContact NE-O 3.34Å; R272-I279 PolarHBondContact NH2-O 3.1Å
273Q84.1Confident82.2Confident160 Ų16077 Ų7775%0.74840%0.399SS*.Hα-helixtrans-69.5-39.2-178.9-172149.227.700113N269 E270 I271N269-Q273 WeakPolarHBondContact O-CB 3.31Å; N269-Q273 PolarHBondContact O-N 3.07Å; E270-Q273 PolarHBondContact O-N 3Å; I271-Q273 VanDerWaalsContact C-N 3.35Å
274V85.1Confident81.2Confident80 Ų8068 Ų6849%0.48538%0.376SS..Hα-helixtrans-74-40.3179.1174.60000111.7E270 L308E270-V274 HydrophobicContact CG-CG2 4.3Å; E270-V274 WeakPolarHBondContact O-CB 3.39Å; E270-V274 VanDerWaalsContact O-CG2 3.24Å; E270-V274 WeakPolarHBondContact O-CG2 3.4Å; E270-V274 PolarHBondContact O-N 2.96Å; V274-L308 HydrophobicContact CB-CD1 4.01Å; V274-L308 HydrophobicContact CG1-CD1 3.75Å
275S83.1Confident80.4Confident8 Ų863.8 Ų63.86%0.05636%0.364CS..Hα-helixtrans-80.2-23.5-179.762.50000113.8I271 R272 A277 S301I271-S275 VanDerWaalsContact O-CB 3.23Å; I271-S275 WeakPolarHBondContact O-CB 3.26Å; I271-S275 PolarHBondContact O-N 3.01Å; I271-S275 PolarHBondContact O-OG 3.42Å; R272-S275 PolarHBondContact O-OG 3.11Å; S275-A277 PolarHBondContact O-N 2.94Å; S275-A277 VanDerWaalsContact O-N 3.15Å; S275-A277 PolarHBondContact OG-N 3.46Å; S275-S301 WeakPolarHBondContact O-CA 3.17Å; S275-S301 VanDerWaalsContact O-CB 3.24Å; S275-S301 WeakPolarHBondContact O-CB 3.39Å; S275-S301 PolarHBondContact O-OG 3.4Å
276G81.6Confident79Confident61 Ų6171.2 Ų71.263%0.62940%0.399SS*.  trans61.314.5-168.900000113.1R272R272-G276 WeakPolarHBondContact O-CA 3.41Å; R272-G276 PolarHBondContact O-N 3.43Å
277A85.6Confident77.9Confident6 Ų671.6 Ų71.65%0.0542%0.416CS..  trans-95147.7179.500000111S275 I279 I295 A305S275-A277 PolarHBondContact O-N 2.94Å; S275-A277 VanDerWaalsContact O-N 3.15Å; S275-A277 PolarHBondContact OG-N 3.46Å; A277-I279 HydrophobicContact CB-CG1 4.35Å; A277-I279 PolarHBondContact O-N 2.8Å; A277-I295 HydrophobicContact CB-CG2 3.8Å; A277-A305 HydrophobicContact CB-CB 3.85Å
278H84.8Confident76.9Confident128 Ų12872.5 Ų72.559%0.59343%0.428SS*.EExtended strand (participates in β ladder)trans-83.4103.7173.1-172.7-87.6000109.8S296H278-S296 WeakPolarHBondContact CB-O 3.22Å; H278-S296 PolarHBondContact N-O 3.34Å; H278-S296 PolarHBondContact O-N 2.93Å
279I87.7Confident76Confident1 Ų175.8 Ų75.81%0.00546%0.457CS..EExtended strand (participates in β ladder)trans-104.8115.8-175.1-55.9160.1000109.7I268 I271 R272 A277 V293 T294 I295 A305 I309I268-I279 HydrophobicContact CD1-CB 4.33Å; I268-I279 HydrophobicContact CD1-CD1 4.27Å; I268-I279 HydrophobicContact CD1-CG2 3.81Å; I271-I279 HydrophobicContact CB-CD1 4.46Å; I271-I279 HydrophobicContact CG2-CD1 3.65Å; R272-I279 HydrophobicContact CB-CD1 4.46Å; R272-I279 HydrophobicContact CG-CB 3.96Å; R272-I279 HydrophobicContact CG-CD1 3.73Å; R272-I279 HydrophobicContact CG-CG1 4.13Å; R272-I279 PolarHBondContact NE-O 3.34Å; R272-I279 PolarHBondContact NH2-O 3.1Å; A277-I279 HydrophobicContact CB-CG1 4.35Å; A277-I279 PolarHBondContact O-N 2.8Å; I279-V293 HydrophobicContact CG2-CG1 3.52Å; I279-T294 CarbonylContact C-O 3.19Å; I279-T294 WeakPolarHBondContact CA-O 3.43Å; I279-I295 HydrophobicContact CG1-CG1 4.39Å; I279-I295 HydrophobicContact CG1-CG2 4.16Å; I279-I295 HydrophobicContact CG2-CG1 4.37Å; I279-A305 HydrophobicContact CD1-CB 3.96Å; I279-A305 HydrophobicContact CG1-CB 4.28Å; I279-I309 HydrophobicContact CD1-CD1 4.48Å; I279-I309 HydrophobicContact CG2-CD1 4.39Å
280K82.7Confident75.4Confident140 Ų14076.7 Ų76.761%0.60946%0.459SS*.EExtended strand (participates in β ladder)trans-109.2128.3176.1-164.5170.8-177.1177.10109.3V293 T294K280-V293 CarbonylContact O-C 3.59Å; K280-V293 WeakPolarHBondContact O-CA 3.25Å; K280-T294 PolarHBondContact N-O 2.82Å; K280-T294 PolarHBondContact O-N 2.97Å
281I83.6Confident75.1Confident35 Ų3574.9 Ų74.918%0.17945%0.449CS..EExtended strand (participates in β ladder)trans-105119.2178-57.7173.1000106.4I257 I261 I268 R291 V293I257-I281 HydrophobicContact CD1-CG2 4.15Å; I257-I281 HydrophobicContact CG1-CG2 4.31Å; I261-I281 HydrophobicContact CD1-CD1 3.99Å; I261-I281 HydrophobicContact CG1-CD1 3.59Å; I268-I281 HydrophobicContact CD1-CD1 4.03Å; I268-I281 HydrophobicContact CG1-CD1 3.9Å; I281-R291 HydrophobicContact CG2-CG 4.18Å; I281-V293 HydrophobicContact CG1-CG1 4.22Å; I281-V293 HydrophobicContact CG1-CG2 4.25Å; I281-V293 HydrophobicContact CG2-CG2 4.4Å
282A77.9Confident74.9Confident36 Ų3679.8 Ų79.830%0.29847%0.472SS..PPolyproline II helixtrans-61.9151.7174.500000109.9R291 Q292A282-R291 PolarHBondContact O-NE 3.11Å; A282-R291 PolarHBondContact O-NH2 3.28Å; A282-R291 VanDerWaalsContact O-NH2 3.08Å; A282-Q292 HydrophobicContact CB-CB 4.17Å; A282-Q292 WeakPolarHBondContact CB-O 3.36Å; A282-Q292 PolarHBondContact N-O 3.11Å
283S68.7Low74.9Confident94 Ų9475.1 Ų75.166%0.65745%0.454SS*.PPolyproline II helixtrans-63.9155.1169.4-161.80000109.6T285S283-T285 PolarHBondContact O-N 2.81Å; S283-T285 VanDerWaalsContact O-N 3.1Å
284A58.4Low75Confident48 Ų4869 Ų6940%0.39743%0.428SS..PPolyproline II helixtrans-61.1117.3169.400000107.7
285T57.4Low75.2Confident107 Ų10765.2 Ų65.266%0.65641%0.405SS*.PPolyproline II helixtrans-80.4127.5171.8-52.30000107.7S283 G287 S288S283-T285 PolarHBondContact O-N 2.81Å; S283-T285 VanDerWaalsContact O-N 3.1Å; T285-G287 PolarHBondContact O-N 2.79Å; T285-S288 PolarHBondContact O-N 2.92Å
286D51.5Low75.3Confident171 Ų17166.3 Ų66.391%0.91441%0.412SS*.THydrogen-bonded Turntrans-44.3111179.1-92.7-98.3000111.5
287G58.2Low75.6Confident88 Ų8863.9 Ų63.991%0.90739%0.388SS*.THydrogen-bonded Turntrans101.2-6.4176.200000117T285T285-G287 PolarHBondContact O-N 2.79Å
288S62Low75.5Confident64 Ų6466 Ų6645%0.44840%0.401SS..  trans-93.4119.2177.9-157.60000112.2N254 T285 M290N254-S288 PolarHBondContact ND2-O 2.63Å; T285-S288 PolarHBondContact O-N 2.92Å; S288-M290 PolarHBondContact O-N 3.31Å; S288-M290 VanDerWaalsContact O-N 3.15Å; S288-M290 PolarHBondContact OG-O 3.27Å
289A66.8Low75.3Confident79 Ų7964.2 Ų64.265%0.65340%0.401SS*.SBendtrans-64.9-12.2172.900000112.8P253 N254P253-A289 CarbonylContact C-O 3.5Å; P253-A289 VanDerWaalsContact CA-O 3.29Å; P253-A289 WeakPolarHBondContact CA-O 3.38Å; N254-A289 PolarHBondContact N-O 3.48Å; N254-A289 PolarHBondContact ND2-O 3.22Å; N254-A289 VanDerWaalsContact ND2-O 3.1Å
290M70.8Confident74.9Confident112 Ų11267.5 Ų67.555%0.55243%0.429SS*.EExtended strand (participates in β ladder)trans-116143.9179.1-60.1-178.9-172.300111.6A251 I252 N254 S288A251-M290 HydrophobicContact CB-CB 4.37Å; A251-M290 HydrophobicContact CB-SD 4.17Å; I252-M290 CarbonylContact O-C 3.57Å; N254-M290 PolarHBondContact ND2-N 2.93Å; S288-M290 PolarHBondContact O-N 3.31Å; S288-M290 VanDerWaalsContact O-N 3.15Å; S288-M290 PolarHBondContact OG-O 3.27Å
291R77.5Confident75.1Confident53 Ų5362 Ų6220%0.241%0.408CS..EExtended strand (participates in β ladder)trans-113.9129.9178.2-166.6154.4178-179.97.3109.4I252 I257 I281 A282I252-R291 PolarHBondContact N-O 3.14Å; I252-R291 PolarHBondContact O-N 3.3Å; I257-R291 HydrophobicContact CD1-CB 4.39Å; I257-R291 HydrophobicContact CD1-CG 4.38Å; I257-R291 HydrophobicContact CG1-CG 4.45Å; I281-R291 HydrophobicContact CG2-CG 4.18Å; A282-R291 PolarHBondContact O-NE 3.11Å; A282-R291 PolarHBondContact O-NH2 3.28Å; A282-R291 VanDerWaalsContact O-NH2 3.08Å
292Q80.6Confident75.2Confident106 Ų10660.6 Ų60.650%0.49540%0.401SS..EExtended strand (participates in β ladder)trans-84.8130.6-178.7-68.2-175-6.100110.8A282A282-Q292 HydrophobicContact CB-CB 4.17Å; A282-Q292 WeakPolarHBondContact CB-O 3.36Å; A282-Q292 PolarHBondContact N-O 3.11Å
293V85.9Confident75.4Confident1 Ų160.6 Ų60.61%0.00640%0.404CS..EExtended strand (participates in β ladder)trans-117113.8174.4-1760000107.7E249 L250 I252 I257 I279 K280 I281 I295 I309E249-V293 WeakPolarHBondContact CA-O 3.33Å; L250-V293 PolarHBondContact N-O 3.34Å; L250-V293 PolarHBondContact O-N 3.48Å; I252-V293 HydrophobicContact CD1-CB 4.37Å; I252-V293 HydrophobicContact CD1-CG2 3.63Å; I252-V293 HydrophobicContact CG1-CG2 4.17Å; I257-V293 HydrophobicContact CD1-CG2 3.84Å; I279-V293 HydrophobicContact CG2-CG1 3.52Å; K280-V293 CarbonylContact O-C 3.59Å; K280-V293 WeakPolarHBondContact O-CA 3.25Å; I281-V293 HydrophobicContact CG1-CG1 4.22Å; I281-V293 HydrophobicContact CG1-CG2 4.25Å; I281-V293 HydrophobicContact CG2-CG2 4.4Å; V293-I295 HydrophobicContact CG1-CG1 4.23Å; V293-I309 HydrophobicContact CG1-CD1 4.26Å
294T85.3Confident76.2Confident32 Ų3257.7 Ų57.720%0.19638%0.383CS..EExtended strand (participates in β ladder)trans-94.7124.3177-46.50000108.7T247 E249 I279 K280T247-T294 HydrophobicContact CG2-CG2 3.4Å; T247-T294 VanDerWaalsContact CG2-CG2 3.4Å; E249-T294 HydrophobicContact CG-CG2 4.14Å; E249-T294 PolarHBondContact OE1-OG1 2.78Å; I279-T294 CarbonylContact C-O 3.19Å; I279-T294 WeakPolarHBondContact CA-O 3.43Å; K280-T294 PolarHBondContact N-O 2.82Å; K280-T294 PolarHBondContact O-N 2.97Å
295I89.8Confident77.5Confident0 Ų055.4 Ų55.40%036%0.364CS..EExtended strand (participates in β ladder)trans-117.1117.7-179.2-51.7171.6000107.8T247 Q248 A277 I279 V293 I302 A305 Q306 I309T247-I295 CarbonylContact C-O 3.54Å; T247-I295 WeakPolarHBondContact CA-O 3.22Å; Q248-I295 PolarHBondContact N-O 3.18Å; Q248-I295 PolarHBondContact O-N 3.32Å; A277-I295 HydrophobicContact CB-CG2 3.8Å; I279-I295 HydrophobicContact CG1-CG1 4.39Å; I279-I295 HydrophobicContact CG1-CG2 4.16Å; I279-I295 HydrophobicContact CG2-CG1 4.37Å; V293-I295 HydrophobicContact CG1-CG1 4.23Å; I295-I302 HydrophobicContact CG2-CB 4.33Å; I295-I302 HydrophobicContact CG2-CG1 4.1Å; I295-I302 HydrophobicContact CG2-CG2 4.23Å; I295-A305 HydrophobicContact CD1-CB 4.22Å; I295-A305 HydrophobicContact CG2-CB 3.69Å; I295-Q306 HydrophobicContact CD1-CB 4.35Å; I295-I309 HydrophobicContact CD1-CD1 3.62Å; I295-I309 HydrophobicContact CG1-CD1 4.26Å
296S85.1Confident78.9Confident30 Ų3052.5 Ų52.521%0.2134%0.343CS..EExtended strand (participates in β ladder)trans-116.7137.3179.1-57.40000110.7S246 T247 H278S246-S296 WeakPolarHBondContact O-CA 3.28Å; T247-S296 WeakPolarHBondContact CG2-OG 3.29Å; T247-S296 PolarHBondContact OG1-OG 2.87Å; H278-S296 WeakPolarHBondContact CB-O 3.22Å; H278-S296 PolarHBondContact N-O 3.34Å; H278-S296 PolarHBondContact O-N 2.93Å
297G87.2Confident80.4Confident11 Ų1149.2 Ų49.211%0.11332%0.318CS..EExtended strand (participates in β ladder)trans162.6-160.9177.200000113.4S246S246-G297 PolarHBondContact N-O 3.11Å; S246-G297 PolarHBondContact O-N 2.97Å
298S84.9Confident81.7Confident49 Ų4946.7 Ų46.734%0.34328%0.284SS..  trans-67.5151.8169.778.30000110.3A300 S301 I302S298-A300 PolarHBondContact O-N 3.49Å; S298-A300 VanDerWaalsContact O-N 3.13Å; S298-S301 WeakPolarHBondContact O-CA 3.41Å; S298-S301 WeakPolarHBondContact O-CB 3.43Å; S298-S301 PolarHBondContact O-N 3.03Å; S298-S301 WeakPolarHBondContact OG-CB 3.48Å; S298-S301 PolarHBondContact OG-N 3.18Å; S298-S301 PolarHBondContact OG-OG 3.22Å; S298-I302 WeakPolarHBondContact O-CG1 3.37Å; S298-I302 PolarHBondContact O-N 3.11Å
299P80.6Confident82.8Confident91 Ų9143.6 Ų43.659%0.59126%0.262SS*.Hα-helixtrans-53.1-35.5176.4-26.934.3000113.3G303P299-G303 PolarHBondContact O-N 2.67Å
300A78.8Confident83.6Confident71 Ų7143.5 Ų43.559%0.58725%0.251SS*.Hα-helixtrans-66.4-46.1174.200000112S298 I302 G303 V304S298-A300 PolarHBondContact O-N 3.49Å; S298-A300 VanDerWaalsContact O-N 3.13Å; A300-I302 PolarHBondContact O-N 3.13Å; A300-G303 PolarHBondContact O-N 2.77Å; A300-V304 WeakPolarHBondContact O-CG2 3.36Å; A300-V304 PolarHBondContact O-N 3.35Å
301S85.5Confident83.9Confident25 Ų2539.8 Ų39.818%0.17524%0.238CC..Hα-helixtrans-61.8-42.8177.2-58.10000111.9S275 S298 V304 A305S275-S301 WeakPolarHBondContact O-CA 3.17Å; S275-S301 VanDerWaalsContact O-CB 3.24Å; S275-S301 WeakPolarHBondContact O-CB 3.39Å; S275-S301 PolarHBondContact O-OG 3.4Å; S298-S301 WeakPolarHBondContact O-CA 3.41Å; S298-S301 WeakPolarHBondContact O-CB 3.43Å; S298-S301 PolarHBondContact O-N 3.03Å; S298-S301 WeakPolarHBondContact OG-CB 3.48Å; S298-S301 PolarHBondContact OG-N 3.18Å; S298-S301 PolarHBondContact OG-OG 3.22Å; S301-V304 PolarHBondContact O-N 2.75Å; S301-A305 WeakPolarHBondContact O-CB 3.34Å; S301-A305 PolarHBondContact O-N 2.86Å
302I87.1Confident83.8Confident4 Ų441.7 Ų41.72%0.02125%0.245CC..Hα-helixtrans-62.9-46.8177.3-64.4168.2000110.4S246 Q248 I295 S298 A300 V304 A305 Q306S246-I302 VanDerWaalsContact C-CD1 3.49Å; S246-I302 VanDerWaalsContact O-CD1 3.22Å; S246-I302 WeakPolarHBondContact O-CD1 3.33Å; Q248-I302 HydrophobicContact CB-CG2 3.56Å; Q248-I302 HydrophobicContact CG-CG2 4.15Å; I295-I302 HydrophobicContact CG2-CB 4.33Å; I295-I302 HydrophobicContact CG2-CG1 4.1Å; I295-I302 HydrophobicContact CG2-CG2 4.23Å; S298-I302 WeakPolarHBondContact O-CG1 3.37Å; S298-I302 PolarHBondContact O-N 3.11Å; A300-I302 PolarHBondContact O-N 3.13Å; I302-V304 VanDerWaalsContact C-N 3.33Å; I302-V304 PolarHBondContact O-N 2.79Å; I302-A305 PolarHBondContact O-N 3.29Å; I302-Q306 VanDerWaalsContact O-CB 3.26Å; I302-Q306 WeakPolarHBondContact O-CB 3.47Å; I302-Q306 PolarHBondContact O-N 2.85Å
303G81.9Confident83.5Confident36 Ų3638 Ų3837%0.37123%0.23SC..Hα-helixtrans-58.9-43.2178.100000112.6P299 A300 Y307P299-G303 PolarHBondContact O-N 2.67Å; A300-G303 PolarHBondContact O-N 2.77Å; G303-Y307 WeakPolarHBondContact O-CB 3.24Å; G303-Y307 PolarHBondContact O-N 2.96Å
304V84.4Confident82.7Confident34 Ų3441 Ų4121%0.20626%0.255CS..Hα-helixtrans-64.7-46.7176176.10000111.2I176 A300 S301 I302 Q306 Y307 L308I176-V304 HydrophobicContact CD1-CB 4.47Å; I176-V304 HydrophobicContact CD1-CG1 4.48Å; I176-V304 HydrophobicContact CD1-CG2 4.07Å; A300-V304 WeakPolarHBondContact O-CG2 3.36Å; A300-V304 PolarHBondContact O-N 3.35Å; S301-V304 PolarHBondContact O-N 2.75Å; I302-V304 VanDerWaalsContact C-N 3.33Å; I302-V304 PolarHBondContact O-N 2.79Å; V304-Q306 PolarHBondContact O-N 2.78Å; V304-Y307 PolarHBondContact O-N 3.3Å; V304-L308 HydrophobicContact CG1-CD1 3.95Å; V304-L308 HydrophobicContact CG1-CG 4.46Å; V304-L308 VanDerWaalsContact O-CG 3.31Å; V304-L308 WeakPolarHBondContact O-CG 3.48Å; V304-L308 PolarHBondContact O-N 2.83Å
305A86.6Confident81.8Confident0 Ų042.7 Ų42.70%027%0.268CS..Hα-helixtrans-59.7-47.7177.800000111.7A277 I279 I295 S301 I302 Y307 L308 I309A277-A305 HydrophobicContact CB-CB 3.85Å; I279-A305 HydrophobicContact CD1-CB 3.96Å; I279-A305 HydrophobicContact CG1-CB 4.28Å; I295-A305 HydrophobicContact CD1-CB 4.22Å; I295-A305 HydrophobicContact CG2-CB 3.69Å; S301-A305 WeakPolarHBondContact O-CB 3.34Å; S301-A305 PolarHBondContact O-N 2.86Å; I302-A305 PolarHBondContact O-N 3.29Å; A305-Y307 PolarHBondContact O-N 3.32Å; A305-L308 PolarHBondContact O-N 3.24Å; A305-I309 WeakPolarHBondContact O-CB 3.39Å; A305-I309 WeakPolarHBondContact O-CD1 3.46Å; A305-I309 WeakPolarHBondContact O-CG1 3.18Å; A305-I309 PolarHBondContact O-N 3.33Å
306Q86.1Confident80.3Confident45 Ų4544.4 Ų44.421%0.2128%0.28CS..Hα-helixtrans-61.7-43.1179.6-1781706.200111.8L250 I295 I302 V304 I309 N310L250-Q306 HydrophobicContact CD1-CG 3.62Å; I295-Q306 HydrophobicContact CD1-CB 4.35Å; I302-Q306 VanDerWaalsContact O-CB 3.26Å; I302-Q306 WeakPolarHBondContact O-CB 3.47Å; I302-Q306 PolarHBondContact O-N 2.85Å; V304-Q306 PolarHBondContact O-N 2.78Å; Q306-I309 PolarHBondContact O-N 3.47Å; Q306-N310 WeakPolarHBondContact O-CB 3.45Å; Q306-N310 PolarHBondContact O-N 3.05Å
307Y83.1Confident78.7Confident102 Ų10245.8 Ų45.840%0.429%0.293SS..Hα-helixtrans-60.7-48.8175.1174.2-97.7000111.7I176 G303 V304 A305 I309 N310 A311I176-Y307 HydrophobicContact CD1-CD1 3.71Å; I176-Y307 HydrophobicContact CD1-CE1 4.39Å; I176-Y307 HydrophobicContact CD1-CG 3.92Å; I176-Y307 HydrophobicContact CG1-CD1 3.79Å; I176-Y307 HydrophobicContact CG1-CE1 3.96Å; I176-Y307 HydrophobicContact CG1-CG 4.27Å; I176-Y307 HydrophobicContact CG2-CD1 4.05Å; I176-Y307 HydrophobicContact CG2-CD2 3.67Å; I176-Y307 HydrophobicContact CG2-CE1 4.07Å; I176-Y307 HydrophobicContact CG2-CE2 3.69Å; I176-Y307 HydrophobicContact CG2-CG 3.85Å; G303-Y307 WeakPolarHBondContact O-CB 3.24Å; G303-Y307 PolarHBondContact O-N 2.96Å; V304-Y307 PolarHBondContact O-N 3.3Å; A305-Y307 PolarHBondContact O-N 3.32Å; Y307-I309 VanDerWaalsContact C-N 3.32Å; Y307-I309 PolarHBondContact O-N 3.31Å; Y307-N310 PolarHBondContact O-N 3.4Å; Y307-A311 HydrophobicContact CE1-CB 4.49Å; Y307-A311 WeakPolarHBondContact O-CB 3.46Å; Y307-A311 PolarHBondContact O-N 3.08Å
308L85.1Confident76.6Confident35 Ų3549.9 Ų49.918%0.18332%0.316CS..Hα-helixtrans-61.7-41.9-179.7-71.3171.1000111.6I271 V274 V304 A305 R312I271-L308 HydrophobicContact CG1-CB 4.2Å; I271-L308 HydrophobicContact CG2-CB 3.88Å; I271-L308 HydrophobicContact CG2-CD1 4.08Å; V274-L308 HydrophobicContact CB-CD1 4.01Å; V274-L308 HydrophobicContact CG1-CD1 3.75Å; V304-L308 HydrophobicContact CG1-CD1 3.95Å; V304-L308 HydrophobicContact CG1-CG 4.46Å; V304-L308 VanDerWaalsContact O-CG 3.31Å; V304-L308 WeakPolarHBondContact O-CG 3.48Å; V304-L308 PolarHBondContact O-N 2.83Å; A305-L308 PolarHBondContact O-N 3.24Å; L308-R312 WeakPolarHBondContact O-CG 3.47Å; L308-R312 PolarHBondContact O-N 2.88Å; L308-R312 VanDerWaalsContact O-N 3.11Å
309I86.1Confident74.6Confident0 Ų053.9 Ų53.90%034%0.341CS..Hα-helixtrans-62.4-51.8176.6-69.9164.6000110.3L250 I252 I260 I271 I279 V293 I295 A305 Q306 Y307 A311 R312 V313L250-I309 HydrophobicContact CD2-CG2 4.43Å; I252-I309 HydrophobicContact CD1-CG2 3.33Å; I260-I309 HydrophobicContact CD1-CG2 4.08Å; I260-I309 HydrophobicContact CG2-CG1 4.19Å; I260-I309 HydrophobicContact CG2-CG2 4.27Å; I271-I309 HydrophobicContact CD1-CG1 4.49Å; I271-I309 HydrophobicContact CG2-CG1 4.17Å; I279-I309 HydrophobicContact CD1-CD1 4.48Å; I279-I309 HydrophobicContact CG2-CD1 4.39Å; V293-I309 HydrophobicContact CG1-CD1 4.26Å; I295-I309 HydrophobicContact CD1-CD1 3.62Å; I295-I309 HydrophobicContact CG1-CD1 4.26Å; A305-I309 WeakPolarHBondContact O-CB 3.39Å; A305-I309 WeakPolarHBondContact O-CD1 3.46Å; A305-I309 WeakPolarHBondContact O-CG1 3.18Å; A305-I309 PolarHBondContact O-N 3.33Å; Q306-I309 PolarHBondContact O-N 3.47Å; Y307-I309 VanDerWaalsContact C-N 3.32Å; Y307-I309 PolarHBondContact O-N 3.31Å; I309-A311 PolarHBondContact O-N 2.7Å; I309-R312 PolarHBondContact O-N 2.87Å; I309-R312 VanDerWaalsContact O-N 3.1Å; I309-V313 WeakPolarHBondContact O-CG2 3.17Å; I309-V313 PolarHBondContact O-N 2.95Å
310N82.5Confident72.7Confident76 Ų7655.8 Ų55.841%0.40635%0.351SS..Hα-helixtrans-63.5-38.7178.9-82.7-9.7000112.8Q306 Y307 R312 V313 A314Q306-N310 WeakPolarHBondContact O-CB 3.45Å; Q306-N310 PolarHBondContact O-N 3.05Å; Y307-N310 PolarHBondContact O-N 3.4Å; N310-R312 PolarHBondContact O-N 2.71Å; N310-V313 PolarHBondContact O-N 2.97Å; N310-A314 VanDerWaalsContact O-CB 3.28Å; N310-A314 WeakPolarHBondContact O-CB 3.38Å; N310-A314 PolarHBondContact O-N 3.33Å
311A78.5Confident70.7Confident35 Ų3558.9 Ų58.929%0.28936%0.357SS..Hα-helixtrans-61.9-33.2175.500000111.5Y307 I309 S315Y307-A311 HydrophobicContact CE1-CB 4.49Å; Y307-A311 WeakPolarHBondContact O-CB 3.46Å; Y307-A311 PolarHBondContact O-N 3.08Å; I309-A311 PolarHBondContact O-N 2.7Å; A311-S315 WeakPolarHBondContact O-CB 3.38Å; A311-S315 PolarHBondContact O-N 3.12Å; A311-S315 PolarHBondContact O-OG 2.82Å
312R74.1Confident68.4Low92 Ų9266.7 Ų66.735%0.34740%0.396SS..Hα-helixtrans-74.9-43.2175.7-66.7-37.2179.6159.7-6.9113I260 K267 I271 L308 I309 N310 A314 S315 S316I260-R312 HydrophobicContact CG1-CB 4.25Å; K267-R312 VanDerWaalsContact CE-CZ 3.47Å; I271-R312 HydrophobicContact CD1-CG 4.46Å; L308-R312 WeakPolarHBondContact O-CG 3.47Å; L308-R312 PolarHBondContact O-N 2.88Å; L308-R312 VanDerWaalsContact O-N 3.11Å; I309-R312 PolarHBondContact O-N 2.87Å; I309-R312 VanDerWaalsContact O-N 3.1Å; N310-R312 PolarHBondContact O-N 2.71Å; R312-A314 VanDerWaalsContact C-N 3.27Å; R312-A314 PolarHBondContact O-N 2.73Å; R312-S315 WeakPolarHBondContact CA-OG 3.26Å; R312-S315 PolarHBondContact O-N 3.29Å; R312-S315 PolarHBondContact O-OG 3.45Å; R312-S316 PolarHBondContact O-N 3.1Å; R312-S316 VanDerWaalsContact O-N 3.11Å; R312-S316 PolarHBondContact O-OG 3.1Å; R312-S316 VanDerWaalsContact O-OG 3.13Å
313V76.1Confident65.8Low29 Ų2976.2 Ų76.218%0.17645%0.447CS..Hα-helixtrans-57-44.2171.4178.50000110.8I252 F256 I260 I309 N310 S316 A317I252-V313 HydrophobicContact CG2-CG2 3.87Å; F256-V313 HydrophobicContact CB-CG1 4.14Å; F256-V313 HydrophobicContact CB-CG2 4.36Å; F256-V313 HydrophobicContact CD2-CG1 4.23Å; F256-V313 HydrophobicContact CG-CG1 4.15Å; I260-V313 HydrophobicContact CD1-CG2 3.31Å; I260-V313 HydrophobicContact CG1-CG2 4.02Å; I309-V313 WeakPolarHBondContact O-CG2 3.17Å; I309-V313 PolarHBondContact O-N 2.95Å; N310-V313 PolarHBondContact O-N 2.97Å; V313-S316 PolarHBondContact O-N 3.47Å; V313-S316 PolarHBondContact O-OG 3.26Å; V313-A317 PolarHBondContact O-N 3.15Å; V313-A317 VanDerWaalsContact O-N 3.11Å
314A69.1Low65Low64 Ų6478.2 Ų78.253%0.52945%0.451SS..Hα-helixtrans-67.8-35.1178.100000112.8N310 R312 S316 A317N310-A314 VanDerWaalsContact O-CB 3.28Å; N310-A314 WeakPolarHBondContact O-CB 3.38Å; N310-A314 PolarHBondContact O-N 3.33Å; R312-A314 VanDerWaalsContact C-N 3.27Å; R312-A314 PolarHBondContact O-N 2.73Å; A314-S316 VanDerWaalsContact C-N 3.31Å; A314-S316 PolarHBondContact O-N 2.94Å; A314-A317 CarbonylContact O-C 3.56Å; A314-A317 PolarHBondContact O-N 3.42Å
315S64.9Low64Low68 Ų6880.5 Ų80.548%0.47646%0.464SS..Hα-helixtrans-70.6-25.4176.566.10000113.8A311 R312A311-S315 WeakPolarHBondContact O-CB 3.38Å; A311-S315 PolarHBondContact O-N 3.12Å; A311-S315 PolarHBondContact O-OG 2.82Å; R312-S315 WeakPolarHBondContact CA-OG 3.26Å; R312-S315 PolarHBondContact O-N 3.29Å; R312-S315 PolarHBondContact O-OG 3.45Å
316S58Low62.7Low36 Ų3685 Ų8525%0.25249%0.489SS..Hα-helixtrans-83.1-19.1170.6450000113.1F256 R312 V313 A314 T318F256-S316 WeakPolarHBondContact CD1-OG 3.29Å; R312-S316 PolarHBondContact O-N 3.1Å; R312-S316 VanDerWaalsContact O-N 3.11Å; R312-S316 PolarHBondContact O-OG 3.1Å; R312-S316 VanDerWaalsContact O-OG 3.13Å; V313-S316 PolarHBondContact O-N 3.47Å; V313-S316 PolarHBondContact O-OG 3.26Å; A314-S316 VanDerWaalsContact C-N 3.31Å; A314-S316 PolarHBondContact O-N 2.94Å; S316-T318 VanDerWaalsContact C-N 3.28Å; S316-T318 PolarHBondContact O-N 3.05Å
317A53Low61.3Low59 Ų5987.4 Ų87.449%0.48851%0.506SS..  trans-86.563.1172.700000110.7V313 A314V313-A317 PolarHBondContact O-N 3.15Å; V313-A317 VanDerWaalsContact O-N 3.11Å; A314-A317 CarbonylContact O-C 3.56Å; A314-A317 PolarHBondContact O-N 3.42Å
318T42.4Very low60Low96 Ų9686.4 Ų86.459%0.58951%0.513SS*.  trans-72.3139.9158.946.50000108.8S316 V320S316-T318 VanDerWaalsContact C-N 3.28Å; S316-T318 PolarHBondContact O-N 3.05Å; T318-V320 PolarHBondContact O-N 3.03Å
319P43.7Very low58.3Low134 Ų13489.9 Ų89.987%0.8753%0.534SS*.  trans-68.3101.8-178.528.4-32.3000109.3
320V40Very low56.3Low130 Ų13096.3 Ų96.379%0.78857%0.573SS**  trans-97.3122164-89.60000107.9T318T318-V320 PolarHBondContact O-N 3.03Å
321D36.4Very low54.3Low136 Ų13697.8 Ų97.873%0.72759%0.585SS**  trans70.787.1168.4-106.5-112000119
322L36.5Very low52.3Low189 Ų189103.1 Ų103.199%0.9961%0.61SS**  trans-111.381.4135.5-137.790000106.8
323N33.4Very low50.3Low204 Ų204104.1 Ų104.1100%1.09163%0.634SS**  trans-113.50152.4-166.298.4000108.1

Retrieved 323 of 323 residues in 622.7 ms (Link to these results)

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