A0A077Z2X4_TRITR Loading...

Protein rogdi protein

AlphaFold DB , UniProt , Accession A0A077Z2X4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 275 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
1M35.3Very low37.2Very low245 Ų245148.8 Ų148.8100%1.20784%0.836SS**  0108.10-84.7174.317500106.5
2E33.6Very low36.8Very low188 Ų188142.4 Ų142.488%0.87983%0.828SS**  trans-63.4143.3-174.6-62.4-177.3138.500111.3S4E2-S4 PolarHBondContact O-N 3.4Å
3P35.2Very low37.1Very low126 Ų126141.2 Ų141.282%0.81881%0.814SS**  trans-76.5109.9172.830.8-28.1000108.3S5P3-S5 PolarHBondContact O-N 2.96Å; P3-S5 VanDerWaalsContact O-N 3.17Å
4S37.7Very low37.5Very low111 Ų111138.7 Ų138.778%0.77681%0.809SS**  trans-54.1117.5169.942.30000110.5E2 L6E2-S4 PolarHBondContact O-N 3.4Å; S4-L6 PolarHBondContact O-N 3.01Å
5S37.4Very low38Very low117 Ų117136.4 Ų136.482%0.81880%0.804SS**  trans-52.4109174.351.20000112.1P3 G7P3-S5 PolarHBondContact O-N 2.96Å; P3-S5 VanDerWaalsContact O-N 3.17Å; S5-G7 VanDerWaalsContact C-N 3.32Å; S5-G7 PolarHBondContact O-N 2.95Å
6L39.5Very low38.7Very low157 Ų157137 Ų13782%0.82280%0.799SS**  trans-75.484.7165.7-81.7158.8000109S4 L8S4-L6 PolarHBondContact O-N 3.01Å; L6-L8 PolarHBondContact O-N 3.48Å
7G36.6Very low39.5Very low76 Ų76131.4 Ų131.478%0.78477%0.772SS**  trans-70.7111.1167.800000110.4S5S5-G7 VanDerWaalsContact C-N 3.32Å; S5-G7 PolarHBondContact O-N 2.95Å
8L42Very low40.6Very low111 Ų111126.5 Ų126.558%0.58175%0.754SS**  trans-86.3143.2165.3-82.4159.6000109.1L6 E10L6-L8 PolarHBondContact O-N 3.48Å; L8-E10 PolarHBondContact O-N 3.21Å
9P37.6Very low41.7Very low115 Ų115124.9 Ų124.975%0.74774%0.741SS**  trans-72.5112.9173.128.5-29.6000109.8K11P9-K11 PolarHBondContact O-N 3.02Å
10E34.3Very low43.1Very low197 Ų197125.3 Ų125.392%0.92174%0.74SS**  trans-68.991.7165.4-70.7-175.7158.200109.4L8L8-E10 PolarHBondContact O-N 3.21Å
11K40.1Very low44.5Very low194 Ų194122.8 Ų122.884%0.84372%0.723SS**  trans-130.5107.7156.7-83.5-169.4176.6-179.50108.9P9 I13P9-K11 PolarHBondContact O-N 3.02Å; K11-I13 PolarHBondContact O-N 2.72Å
12G32.5Very low46.3Very low72 Ų72111.5 Ų111.574%0.74267%0.668SS**  trans-63.1124-17800000112.6
13I40.8Very low48.5Very low126 Ų126104.9 Ų104.965%0.64664%0.643SS**  trans-108.173.2156.2-55173.6000105.3K11K11-I13 PolarHBondContact O-N 2.72Å
14S42.4Very low50.8Low107 Ų107102.9 Ų102.975%0.74862%0.621SS**  trans-111.322-175.867.20000113.8
15S44.5Very low53.1Low104 Ų10497.9 Ų97.973%0.72759%0.586SS**SBendtrans-120.416.4-170.282.40000117.3
16M50Low55.5Low146 Ų14694.7 Ų94.772%0.71956%0.556SS**SBendtrans-13614.7-176.4-71-163.9168.200116.5K267M16-K267 PolarHBondContact O-NZ 3.13Å
17A52.8Low57.8Low41 Ų4193.8 Ų93.834%0.33955%0.545SS..  trans-108.2115.9170.200000110.5C22A17-C22 WeakPolarHBondContact CB-SG 3.34Å
18G57.7Low60.4Low44 Ų4492.2 Ų92.245%0.45452%0.517SS..  trans-59.4148.6165.500000109.4D20 D21 C22G18-D20 PolarHBondContact O-N 3.1Å; G18-D21 PolarHBondContact O-N 3.49Å; G18-C22 PolarHBondContact O-N 2.93Å
19N61.6Low62.9Low96 Ų9686.9 Ų86.951%0.51349%0.49SS..Hα-helixtrans-51-33.7-175.9-68.80.1000112.9D21 C22 S23 N145N19-D21 PolarHBondContact O-N 2.62Å; N19-C22 PolarHBondContact O-N 3.13Å; N19-S23 WeakPolarHBondContact O-CB 3.48Å; N19-S23 PolarHBondContact O-N 3.1Å; N19-S23 PolarHBondContact O-OG 2.74Å; N19-S23 VanDerWaalsContact O-OG 3.13Å; N19-N145 VanDerWaalsContact CG-OD1 3.31Å; N19-N145 PolarHBondContact OD1-ND2 2.94Å; N19-N145 PolarHBondContact OD1-OD1 3.22Å
20D70Confident65.5Low133 Ų13383.6 Ų83.671%0.71147%0.465SS*.Hα-helixtrans-65.4-36179.2-65.4-9.3000112.7G18 S23 F24G18-D20 PolarHBondContact O-N 3.1Å; D20-S23 PolarHBondContact O-OG 3.02Å; D20-F24 VanDerWaalsContact O-CB 3.27Å; D20-F24 WeakPolarHBondContact O-CB 3.47Å; D20-F24 PolarHBondContact O-N 3.43Å
21D72.2Confident68.4Low72 Ų7277.4 Ų77.439%0.38544%0.438SS..Hα-helixtrans-75.4-38.8-179.5-66.6-43.9000111.8G18 N19 L25 K267G18-D21 PolarHBondContact O-N 3.49Å; N19-D21 PolarHBondContact O-N 2.62Å; D21-L25 VanDerWaalsContact O-CB 3.25Å; D21-L25 WeakPolarHBondContact O-CB 3.32Å; D21-L25 PolarHBondContact O-N 3.17Å; D21-K267 WeakPolarHBondContact OD2-CE 3.32Å; D21-K267 IonicContact OD2-NZ 2.74Å; D21-K267 PolarHBondContact OD2-NZ 3.42Å
22C74.4Confident71Confident9 Ų968.5 Ų68.56%0.06140%0.399CS..Hα-helixtrans-67-42.8176.6-77.40000111.5A17 G18 N19 L25 R26 D144A17-C22 WeakPolarHBondContact CB-SG 3.34Å; G18-C22 PolarHBondContact O-N 2.93Å; N19-C22 PolarHBondContact O-N 3.13Å; C22-L25 PolarHBondContact O-N 3.48Å; C22-R26 WeakPolarHBondContact O-CB 3.1Å; C22-R26 PolarHBondContact O-N 2.95Å; C22-D144 WeakPolarHBondContact CB-O 3.42Å
23S79.1Confident74.1Confident49 Ų4965.1 Ų65.134%0.34336%0.364SS..Hα-helixtrans-64.7-41.2176.564.60000111.6N19 D20 R26 K27N19-S23 WeakPolarHBondContact O-CB 3.48Å; N19-S23 PolarHBondContact O-N 3.1Å; N19-S23 PolarHBondContact O-OG 2.74Å; N19-S23 VanDerWaalsContact O-OG 3.13Å; D20-S23 PolarHBondContact O-OG 3.02Å; S23-R26 PolarHBondContact O-N 3.48Å; S23-K27 WeakPolarHBondContact O-CB 3.16Å; S23-K27 PolarHBondContact O-N 2.85Å
24F83Confident76.8Confident83 Ų8366.6 Ų66.636%0.36436%0.361SS..Hα-helixtrans-60.4-50.3172.3178.1-97.7000111.9D20 R26 K27 E28 L263D20-F24 VanDerWaalsContact O-CB 3.27Å; D20-F24 WeakPolarHBondContact O-CB 3.47Å; D20-F24 PolarHBondContact O-N 3.43Å; F24-R26 VanDerWaalsContact C-N 3.33Å; F24-R26 PolarHBondContact O-N 2.92Å; F24-K27 PolarHBondContact O-N 2.94Å; F24-E28 HydrophobicContact CD1-CG 4.21Å; F24-E28 HydrophobicContact CD2-CG 4.43Å; F24-E28 HydrophobicContact CE1-CG 3.76Å; F24-E28 HydrophobicContact CE2-CG 4Å; F24-E28 HydrophobicContact CZ-CG 3.65Å; F24-E28 WeakPolarHBondContact O-CG 3.42Å; F24-E28 PolarHBondContact O-N 3.28Å; F24-L263 HydrophobicContact CD1-CD1 4.13Å; F24-L263 HydrophobicContact CE1-CD1 3.81Å; F24-L263 HydrophobicContact CE1-CD2 4.43Å
25L86.9Confident79.4Confident7 Ų767.2 Ų67.24%0.03735%0.351CS..Hα-helixtrans-60-43.2179.4-179.762000111.4D21 C22 E28 S29 L147 V149 L152 V260 F264D21-L25 VanDerWaalsContact O-CB 3.25Å; D21-L25 WeakPolarHBondContact O-CB 3.32Å; D21-L25 PolarHBondContact O-N 3.17Å; C22-L25 PolarHBondContact O-N 3.48Å; L25-E28 PolarHBondContact O-N 3.42Å; L25-S29 VanDerWaalsContact O-CB 3.3Å; L25-S29 WeakPolarHBondContact O-CB 3.47Å; L25-S29 PolarHBondContact O-N 3.5Å; L25-S29 PolarHBondContact O-OG 3.39Å; L25-L147 HydrophobicContact CB-CD2 4.41Å; L25-L147 HydrophobicContact CD2-CD2 3.99Å; L25-L147 HydrophobicContact CG-CD2 4.04Å; L25-V149 HydrophobicContact CD2-CG2 3.93Å; L25-L152 HydrophobicContact CD1-CD2 3.98Å; L25-L152 HydrophobicContact CD2-CD2 4.07Å; L25-L152 HydrophobicContact CG-CD2 3.93Å; L25-V260 HydrophobicContact CD1-CG1 4.27Å; L25-V260 HydrophobicContact CD1-CG2 3.75Å; L25-F264 HydrophobicContact CD2-CE2 4.13Å; L25-F264 HydrophobicContact CD2-CZ 3.91Å
26R87.3Confident82Confident49 Ų4962.3 Ų62.319%0.18532%0.316CS..Hα-helixtrans-58.9-49.3176.1-175.9-173.8-171.41393.9111.1C22 S23 F24 E28 S29 L30 L139 Q140 C142 D144 L147C22-R26 WeakPolarHBondContact O-CB 3.1Å; C22-R26 PolarHBondContact O-N 2.95Å; S23-R26 PolarHBondContact O-N 3.48Å; F24-R26 VanDerWaalsContact C-N 3.33Å; F24-R26 PolarHBondContact O-N 2.92Å; R26-E28 PolarHBondContact O-N 3.47Å; R26-S29 PolarHBondContact O-N 2.86Å; R26-L30 HydrophobicContact CG-CD1 4.27Å; R26-L30 WeakPolarHBondContact O-CG 3.41Å; R26-L30 PolarHBondContact O-N 3Å; R26-L139 HydrophobicContact CG-CD2 4.26Å; R26-L139 PolarHBondContact NE-O 3.28Å; R26-L139 PolarHBondContact NH2-O 3.47Å; R26-Q140 PolarHBondContact NH2-O 3.22Å; R26-C142 VanDerWaalsContact CZ-O 3.26Å; R26-C142 PolarHBondContact NH1-O 3.32Å; R26-C142 PolarHBondContact NH2-O 3.39Å; R26-D144 WeakPolarHBondContact CD-OD1 3.42Å; R26-D144 IonicContact CZ-OD1 3.56Å; R26-D144 IonicContact NE-OD1 3.86Å; R26-D144 IonicContact NH1-OD1 2.69Å; R26-D144 PolarHBondContact NH1-OD1 3.47Å; R26-L147 HydrophobicContact CB-CD2 4.26Å
27K88.9Confident84.2Confident138 Ų13858.3 Ų58.360%0.630%0.296SS*.Hα-helixtrans-59.3-47.7179.4-177.3178.4178.6179.90111.4S23 F24 S29 L30 I31S23-K27 WeakPolarHBondContact O-CB 3.16Å; S23-K27 PolarHBondContact O-N 2.85Å; F24-K27 PolarHBondContact O-N 2.94Å; K27-S29 VanDerWaalsContact C-N 3.34Å; K27-S29 PolarHBondContact O-N 3.37Å; K27-L30 PolarHBondContact O-N 2.95Å; K27-I31 HydrophobicContact CG-CD1 4.13Å; K27-I31 WeakPolarHBondContact O-CG1 3.27Å; K27-I31 PolarHBondContact O-N 3.13Å
28E90.9Very high86.4Confident43 Ų4362 Ų6220%0.20131%0.309CS..Hα-helixtrans-62.1-41.8177.5-73.6-66.216600112.3F24 L25 R26 I31 Y32 F256 K259F24-E28 HydrophobicContact CD1-CG 4.21Å; F24-E28 HydrophobicContact CD2-CG 4.43Å; F24-E28 HydrophobicContact CE1-CG 3.76Å; F24-E28 HydrophobicContact CE2-CG 4Å; F24-E28 HydrophobicContact CZ-CG 3.65Å; F24-E28 WeakPolarHBondContact O-CG 3.42Å; F24-E28 PolarHBondContact O-N 3.28Å; L25-E28 PolarHBondContact O-N 3.42Å; R26-E28 PolarHBondContact O-N 3.47Å; E28-I31 PolarHBondContact O-N 3.28Å; E28-Y32 WeakPolarHBondContact O-CB 3.47Å; E28-Y32 PolarHBondContact O-N 3.19Å; E28-F256 HydrophobicContact CB-CE2 4.48Å; E28-K259 IonicContact OE1-NZ 3.71Å; E28-K259 PolarHBondContact OE1-NZ 3.43Å; E28-K259 WeakPolarHBondContact OE2-CE 3.41Å; E28-K259 IonicContact OE2-NZ 2.69Å; E28-K259 PolarHBondContact OE2-NZ 3.01Å
29S93.2Very high88.3Confident0 Ų061.8 Ų61.80%030%0.297CS..Hα-helixtrans-62.4-43.7177-54.60000111.8L25 R26 K27 Y32 L33 L152 F256L25-S29 VanDerWaalsContact O-CB 3.3Å; L25-S29 WeakPolarHBondContact O-CB 3.47Å; L25-S29 PolarHBondContact O-N 3.5Å; L25-S29 PolarHBondContact O-OG 3.39Å; R26-S29 PolarHBondContact O-N 2.86Å; K27-S29 VanDerWaalsContact C-N 3.34Å; K27-S29 PolarHBondContact O-N 3.37Å; S29-Y32 PolarHBondContact O-N 3.06Å; S29-L33 WeakPolarHBondContact O-CB 3.36Å; S29-L33 VanDerWaalsContact O-CG 3.28Å; S29-L33 WeakPolarHBondContact O-CG 3.47Å; S29-L33 PolarHBondContact O-N 3.5Å; S29-L152 WeakPolarHBondContact OG-CD2 3.49Å; S29-F256 WeakPolarHBondContact OG-CZ 3.46Å
30L93Very high90Very high45 Ų4557.2 Ų57.224%0.23627%0.273CS..Hα-helixtrans-63.7-41.2176.7-73.2171.5000112R26 K27 R34 M136 L139R26-L30 HydrophobicContact CG-CD1 4.27Å; R26-L30 WeakPolarHBondContact O-CG 3.41Å; R26-L30 PolarHBondContact O-N 3Å; K27-L30 PolarHBondContact O-N 2.95Å; L30-R34 WeakPolarHBondContact O-CB 3.37Å; L30-R34 VanDerWaalsContact O-CG 3.32Å; L30-R34 WeakPolarHBondContact O-CG 3.36Å; L30-R34 PolarHBondContact O-N 3.47Å; L30-M136 HydrophobicContact CD2-CE 4.15Å; L30-M136 HydrophobicContact CD2-SD 3.97Å; L30-L139 HydrophobicContact CD2-CB 3.98Å; L30-L139 HydrophobicContact CD2-CD1 3.84Å; L30-L139 HydrophobicContact CG-CD1 4.04Å
31I94.3Very high91.2Very high67 Ų6753.7 Ų53.734%0.34425%0.252SS..Hα-helixtrans-63.3-47176.1-67.8165.5000110.2K27 E28 K35K27-I31 HydrophobicContact CG-CD1 4.13Å; K27-I31 WeakPolarHBondContact O-CG1 3.27Å; K27-I31 PolarHBondContact O-N 3.13Å; E28-I31 PolarHBondContact O-N 3.28Å; I31-K35 HydrophobicContact CG2-CD 4.16Å; I31-K35 WeakPolarHBondContact O-CB 3.28Å; I31-K35 WeakPolarHBondContact O-CG 3.32Å; I31-K35 PolarHBondContact O-N 3.03Å
32Y96.4Very high92.2Very high7 Ų751.8 Ų51.83%0.02725%0.249CC..Hα-helixtrans-57.6-54176.8156.8-112.3000111.7E28 S29 R34 K35 L36 T156 L252 T253 F256E28-Y32 WeakPolarHBondContact O-CB 3.47Å; E28-Y32 PolarHBondContact O-N 3.19Å; S29-Y32 PolarHBondContact O-N 3.06Å; Y32-R34 VanDerWaalsContact C-N 3.35Å; Y32-R34 PolarHBondContact O-N 2.93Å; Y32-K35 PolarHBondContact O-N 3.33Å; Y32-L36 HydrophobicContact CE2-CB 4.29Å; Y32-L36 HydrophobicContact CE2-CD2 4.14Å; Y32-L36 WeakPolarHBondContact O-CB 3.35Å; Y32-L36 PolarHBondContact O-N 2.92Å; Y32-L36 WeakPolarHBondContact OH-CD2 3.16Å; Y32-T156 HydrophobicContact CE1-CG2 4.28Å; Y32-L252 HydrophobicContact CD2-CD1 4.36Å; Y32-L252 HydrophobicContact CD2-CD2 4.3Å; Y32-L252 HydrophobicContact CD2-CG 3.9Å; Y32-L252 HydrophobicContact CE2-CD2 4.49Å; Y32-L252 HydrophobicContact CE2-CG 4.08Å; Y32-T253 VanDerWaalsContact OH-CG2 3.27Å; Y32-T253 WeakPolarHBondContact OH-CG2 3.16Å; Y32-T253 PolarHBondContact OH-OG1 2.92Å; Y32-F256 HydrophobicContact CD1-CB 4.3Å; Y32-F256 AromaticContact CD1-CD1 3.5Å; Y32-F256 HydrophobicContact CD1-CD1 3.5Å; Y32-F256 VanDerWaalsContact CD1-CD1 3.5Å; Y32-F256 HydrophobicContact CD1-CD2 4.02Å; Y32-F256 AromaticContact CD1-CE1 3.73Å; Y32-F256 HydrophobicContact CD1-CE1 3.73Å; Y32-F256 HydrophobicContact CD1-CE2 4.22Å; Y32-F256 AromaticContact CD1-CG 3.66Å; Y32-F256 HydrophobicContact CD1-CG 3.66Å; Y32-F256 HydrophobicContact CD1-CZ 4.09Å; Y32-F256 HydrophobicContact CD2-CB 3.69Å; Y32-F256 HydrophobicContact CD2-CD1 4.4Å; Y32-F256 HydrophobicContact CD2-CD2 4.44Å; Y32-F256 AromaticContact CD2-CG 3.93Å; Y32-F256 HydrophobicContact CD2-CG 3.93Å; Y32-F256 AromaticContact CE1-CD1 3.67Å; Y32-F256 HydrophobicContact CE1-CD1 3.67Å; Y32-F256 HydrophobicContact CE1-CE1 4.04Å; Y32-F256 HydrophobicContact CE1-CG 4.15Å; Y32-F256 HydrophobicContact CE2-CB 4.03Å; Y32-F256 HydrophobicContact CE2-CG 4.41Å; Y32-F256 HydrophobicContact CG-CB 3.84Å; Y32-F256 AromaticContact CG-CD1 3.89Å; Y32-F256 HydrophobicContact CG-CD1 3.89Å; Y32-F256 AromaticContact CG-CD2 3.75Å; Y32-F256 HydrophobicContact CG-CD2 3.75Å; Y32-F256 HydrophobicContact CG-CE1 4.42Å; Y32-F256 HydrophobicContact CG-CE2 4.28Å; Y32-F256 AromaticContact CG-CG 3.53Å; Y32-F256 HydrophobicContact CG-CG 3.53Å
33L96.8Very high93.1Very high1 Ų151.3 Ų51.31%0.00525%0.247CC..Hα-helixtrans-63.9-38.9-176.4-69.3170.2000111.9S29 L36 E37 L132 M136 L139 I159S29-L33 WeakPolarHBondContact O-CB 3.36Å; S29-L33 VanDerWaalsContact O-CG 3.28Å; S29-L33 WeakPolarHBondContact O-CG 3.47Å; S29-L33 PolarHBondContact O-N 3.5Å; L33-L36 PolarHBondContact O-N 3.26Å; L33-E37 WeakPolarHBondContact O-CB 3.25Å; L33-E37 PolarHBondContact O-N 3.34Å; L33-L132 HydrophobicContact CD2-CG 4.07Å; L33-M136 HydrophobicContact CB-CG 4.05Å; L33-M136 HydrophobicContact CB-SD 3.48Å; L33-M136 WeakPolarHBondContact CB-SD 3.38Å; L33-M136 HydrophobicContact CD1-CG 4.03Å; L33-M136 HydrophobicContact CD1-SD 3.74Å; L33-M136 HydrophobicContact CG-SD 4.28Å; L33-L139 HydrophobicContact CD1-CD1 3.43Å; L33-L139 VanDerWaalsContact CD1-CD1 3.43Å; L33-I159 HydrophobicContact CD2-CD1 4.08Å
34R96.8Very high93.8Very high157 Ų15749 Ų4959%0.59223%0.23SC*.Hα-helixtrans-65.3-42.8174.8-75.9-178.7176.7178.60.5112.6L30 Y32 L36 E37 L38 M136L30-R34 WeakPolarHBondContact O-CB 3.37Å; L30-R34 VanDerWaalsContact O-CG 3.32Å; L30-R34 WeakPolarHBondContact O-CG 3.36Å; L30-R34 PolarHBondContact O-N 3.47Å; Y32-R34 VanDerWaalsContact C-N 3.35Å; Y32-R34 PolarHBondContact O-N 2.93Å; R34-L36 VanDerWaalsContact C-N 3.33Å; R34-E37 PolarHBondContact O-N 3.23Å; R34-L38 WeakPolarHBondContact O-CG 3.49Å; R34-L38 PolarHBondContact O-N 2.95Å; R34-L38 VanDerWaalsContact O-N 3.16Å; R34-M136 HydrophobicContact CG-CE 4.13Å
35K97.9Very high94.2Very high121 Ų12147.5 Ų47.553%0.52623%0.233SC..Hα-helixtrans-62.1-44.3175.4-76.3179.9177.3-175.40110.9I31 Y32 E37 L38 I39 L252I31-K35 HydrophobicContact CG2-CD 4.16Å; I31-K35 WeakPolarHBondContact O-CB 3.28Å; I31-K35 WeakPolarHBondContact O-CG 3.32Å; I31-K35 PolarHBondContact O-N 3.03Å; Y32-K35 PolarHBondContact O-N 3.33Å; K35-E37 VanDerWaalsContact C-N 3.32Å; K35-E37 PolarHBondContact O-N 3.18Å; K35-L38 PolarHBondContact O-N 3.29Å; K35-I39 WeakPolarHBondContact O-CG1 3.03Å; K35-I39 PolarHBondContact O-N 2.96Å; K35-L252 HydrophobicContact CB-CD2 3.76Å
36L98.4Very high94.3Very high0 Ų051.6 Ų51.60%025%0.251CS..Hα-helixtrans-63.2-41177.5-17765.3000111.3Y32 L33 R34 L38 I39 L40 L132 I159 L163 A249 L252Y32-L36 HydrophobicContact CE2-CB 4.29Å; Y32-L36 HydrophobicContact CE2-CD2 4.14Å; Y32-L36 WeakPolarHBondContact O-CB 3.35Å; Y32-L36 PolarHBondContact O-N 2.92Å; Y32-L36 WeakPolarHBondContact OH-CD2 3.16Å; L33-L36 PolarHBondContact O-N 3.26Å; R34-L36 VanDerWaalsContact C-N 3.33Å; L36-L38 VanDerWaalsContact C-N 3.33Å; L36-L38 PolarHBondContact O-N 3.03Å; L36-I39 PolarHBondContact O-N 3.47Å; L36-I39 VanDerWaalsContact O-N 3.15Å; L36-L40 HydrophobicContact CD1-CD1 4.32Å; L36-L40 HydrophobicContact CD1-CD2 4.4Å; L36-L40 HydrophobicContact CD1-CG 4.15Å; L36-L40 HydrophobicContact CD2-CD1 4.46Å; L36-L40 HydrophobicContact CG-CD1 4.06Å; L36-L40 HydrophobicContact CG-CG 4.22Å; L36-L40 WeakPolarHBondContact O-CG 3.49Å; L36-L40 PolarHBondContact O-N 3.06Å; L36-L132 HydrophobicContact CB-CD1 3.98Å; L36-L132 HydrophobicContact CD2-CD1 3.87Å; L36-L132 HydrophobicContact CG-CD1 3.8Å; L36-I159 HydrophobicContact CD2-CD1 4.26Å; L36-I159 HydrophobicContact CD2-CG2 3.51Å; L36-L163 HydrophobicContact CD1-CD1 4.32Å; L36-A249 HydrophobicContact CD1-CB 3.65Å; L36-L252 HydrophobicContact CB-CD2 4.03Å; L36-L252 HydrophobicContact CD1-CD2 4.46Å
37E97.6Very high94.5Very high63 Ų6349.3 Ų49.329%0.29424%0.242SC..Hα-helixtrans-57.2-47.2177.6-175.4172.3-154.800111L33 R34 K35 I39 L40 Q41 L132L33-E37 WeakPolarHBondContact O-CB 3.25Å; L33-E37 PolarHBondContact O-N 3.34Å; R34-E37 PolarHBondContact O-N 3.23Å; K35-E37 VanDerWaalsContact C-N 3.32Å; K35-E37 PolarHBondContact O-N 3.18Å; E37-I39 VanDerWaalsContact C-N 3.32Å; E37-I39 PolarHBondContact O-N 3.26Å; E37-L40 PolarHBondContact O-N 3.44Å; E37-Q41 HydrophobicContact CG-CG 4.34Å; E37-Q41 WeakPolarHBondContact O-CB 3.43Å; E37-Q41 WeakPolarHBondContact O-CG 3.28Å; E37-Q41 PolarHBondContact O-N 3.44Å; E37-L132 HydrophobicContact CB-CD1 3.86Å; E37-L132 HydrophobicContact CB-CD2 4Å; E37-L132 HydrophobicContact CG-CD2 4.33Å
38L97.2Very high94.3Very high118 Ų11843.2 Ų43.262%0.61822%0.217SC*.Hα-helixtrans-59.7-41.1176.8-67.2172.6000112.5R34 K35 L36 G42R34-L38 WeakPolarHBondContact O-CG 3.49Å; R34-L38 PolarHBondContact O-N 2.95Å; R34-L38 VanDerWaalsContact O-N 3.16Å; K35-L38 PolarHBondContact O-N 3.29Å; L36-L38 VanDerWaalsContact C-N 3.33Å; L36-L38 PolarHBondContact O-N 3.03Å; L38-G42 PolarHBondContact O-N 3.27Å; L38-G42 VanDerWaalsContact O-N 3.1Å
39I98Very high93.7Very high40 Ų4043 Ų4321%0.20522%0.218CC..Hα-helixtrans-64.7-47.2177.6-64.2169.8000110.6K35 L36 E37 G42 C43 I245 A249 L252K35-I39 WeakPolarHBondContact O-CG1 3.03Å; K35-I39 PolarHBondContact O-N 2.96Å; L36-I39 PolarHBondContact O-N 3.47Å; L36-I39 VanDerWaalsContact O-N 3.15Å; E37-I39 VanDerWaalsContact C-N 3.32Å; E37-I39 PolarHBondContact O-N 3.26Å; I39-G42 PolarHBondContact O-N 3.41Å; I39-C43 PolarHBondContact O-N 2.88Å; I39-I245 HydrophobicContact CG2-CG2 3.7Å; I39-I245 WeakPolarHBondContact O-CG2 3.47Å; I39-A249 HydrophobicContact CG2-CB 3.89Å; I39-L252 HydrophobicContact CD1-CD2 3.72Å
40L97Very high92.9Very high0 Ų052.2 Ų52.20%025%0.253CS..Hα-helixtrans-70.5-32.4-178.3-61-175.5000112.6L36 E37 G42 C43 C44 V125 A128 M129 L132 L163 A249L36-L40 HydrophobicContact CD1-CD1 4.32Å; L36-L40 HydrophobicContact CD1-CD2 4.4Å; L36-L40 HydrophobicContact CD1-CG 4.15Å; L36-L40 HydrophobicContact CD2-CD1 4.46Å; L36-L40 HydrophobicContact CG-CD1 4.06Å; L36-L40 HydrophobicContact CG-CG 4.22Å; L36-L40 WeakPolarHBondContact O-CG 3.49Å; L36-L40 PolarHBondContact O-N 3.06Å; E37-L40 PolarHBondContact O-N 3.44Å; L40-G42 VanDerWaalsContact C-N 3.34Å; L40-C43 WeakPolarHBondContact O-CB 3.48Å; L40-C43 PolarHBondContact O-N 3.29Å; L40-C44 PolarHBondContact O-N 3.05Å; L40-C44 PolarHBondContact O-SG 3.12Å; L40-V125 HydrophobicContact CD2-CG1 4.4Å; L40-A128 HydrophobicContact CD1-CB 4.11Å; L40-M129 HydrophobicContact CB-CG 3.84Å; L40-M129 HydrophobicContact CB-SD 4.27Å; L40-M129 HydrophobicContact CD1-CG 3.84Å; L40-M129 HydrophobicContact CG-CG 4.5Å; L40-L132 HydrophobicContact CD1-CD1 4.27Å; L40-L163 HydrophobicContact CD2-CD2 3.63Å; L40-A249 HydrophobicContact CD2-CB 3.98Å
41Q95.1Very high92.3Very high58 Ų5851 Ų5127%0.27125%0.247SC..Hα-helixtrans-60.1-45.2169.1-74.9179.1-2.300111.1E37 C43 C44 A45 F53E37-Q41 HydrophobicContact CG-CG 4.34Å; E37-Q41 WeakPolarHBondContact O-CB 3.43Å; E37-Q41 WeakPolarHBondContact O-CG 3.28Å; E37-Q41 PolarHBondContact O-N 3.44Å; Q41-C43 VanDerWaalsContact C-N 3.3Å; Q41-C43 PolarHBondContact O-N 3.44Å; Q41-C44 PolarHBondContact O-N 2.64Å; Q41-A45 PolarHBondContact O-N 3.49Å; Q41-F53 HydrophobicContact CB-CE1 4.45Å; Q41-F53 HydrophobicContact CG-CD1 4.15Å; Q41-F53 HydrophobicContact CG-CE1 3.61Å; Q41-F53 HydrophobicContact CG-CE2 3.99Å; Q41-F53 HydrophobicContact CG-CZ 3.49Å; Q41-F53 VanDerWaalsContact CG-CZ 3.49Å
42G93.6Very high91.5Very high32 Ų3254.6 Ų54.633%0.3326%0.256SS..Hα-helixtrans-60.5-37.2173.800000113.1L38 I39 L40 K46L38-G42 PolarHBondContact O-N 3.27Å; L38-G42 VanDerWaalsContact O-N 3.1Å; I39-G42 PolarHBondContact O-N 3.41Å; L40-G42 VanDerWaalsContact C-N 3.34Å; G42-K46 PolarHBondContact O-N 3.42Å
43C94.8Very high90.8Very high0 Ų057.3 Ų57.30%027%0.268CS..Hα-helixtrans-63.1-50.6172.4-166.10000111.2I39 L40 Q41 A45 K46 L47 V125 I245I39-C43 PolarHBondContact O-N 2.88Å; L40-C43 WeakPolarHBondContact O-CB 3.48Å; L40-C43 PolarHBondContact O-N 3.29Å; Q41-C43 VanDerWaalsContact C-N 3.3Å; Q41-C43 PolarHBondContact O-N 3.44Å; C43-A45 VanDerWaalsContact C-N 3.28Å; C43-A45 PolarHBondContact O-N 2.85Å; C43-K46 PolarHBondContact O-N 2.95Å; C43-L47 PolarHBondContact O-N 2.84Å; C43-L47 VanDerWaalsContact O-N 3.1Å; C43-V125 HydrophobicContact CB-CG1 4.25Å; C43-I245 HydrophobicContact CB-CG2 3.6Å
44C93.2Very high89.9Confident0 Ų058.3 Ų58.30%027%0.273CS..Hα-helixtrans-61.9-34.6-178.4-66.80000113.1L40 Q41 K46 L47 N51 F53 M129L40-C44 PolarHBondContact O-N 3.05Å; L40-C44 PolarHBondContact O-SG 3.12Å; Q41-C44 PolarHBondContact O-N 2.64Å; C44-K46 PolarHBondContact O-N 3.32Å; C44-L47 PolarHBondContact O-N 2.88Å; C44-N51 PolarHBondContact O-ND2 2.94Å; C44-F53 HydrophobicContact CB-CB 3.83Å; C44-F53 HydrophobicContact CB-CD2 3.45Å; C44-F53 VanDerWaalsContact CB-CD2 3.45Å; C44-F53 HydrophobicContact CB-CE2 4.38Å; C44-F53 HydrophobicContact CB-CG 4.05Å; C44-M129 VanDerWaalsContact SG-SD 3.69Å
45A90.6Very high88.7Confident51 Ų5157.5 Ų57.542%0.42128%0.276SS..Hα-helixtrans-65.1-27.2174.900000112.9Q41 C43Q41-A45 PolarHBondContact O-N 3.49Å; C43-A45 VanDerWaalsContact C-N 3.28Å; C43-A45 PolarHBondContact O-N 2.85Å
46K90.3Very high87.2Confident94 Ų9455.7 Ų55.741%0.40928%0.279SS..Hα-helixtrans-91.3-14.9176.7-68.4-164.3178.1-166.50113.9G42 C43 C44 D241 L242 I245G42-K46 PolarHBondContact O-N 3.42Å; C43-K46 PolarHBondContact O-N 2.95Å; C44-K46 PolarHBondContact O-N 3.32Å; K46-D241 HydrophobicContact CD-CB 4.05Å; K46-D241 IonicContact NZ-OD1 2.65Å; K46-D241 IonicContact NZ-OD2 2.64Å; K46-D241 PolarHBondContact NZ-OD2 3.24Å; K46-L242 HydrophobicContact CB-CD2 3.91Å; K46-I245 HydrophobicContact CD-CD1 3.79Å
47L90.7Very high85.4Confident0 Ų056.1 Ų56.10%028%0.283CS..  trans-66.9136.9177.9-76.4173.6000110.5C43 C44 T49 N54 L121 G122 L242C43-L47 PolarHBondContact O-N 2.84Å; C43-L47 VanDerWaalsContact O-N 3.1Å; C44-L47 PolarHBondContact O-N 2.88Å; L47-T49 PolarHBondContact O-N 2.88Å; L47-N54 PolarHBondContact O-ND2 2.9Å; L47-L121 HydrophobicContact CD2-CD2 3.67Å; L47-G122 VanDerWaalsContact CD1-CA 3.48Å; L47-L242 HydrophobicContact CD2-CD1 4.33Å; L47-L242 HydrophobicContact CD2-CD2 4.2Å
48P84.5Confident83.2Confident11 Ų1158.8 Ų58.87%0.07131%0.308CS..SBendtrans-79.74.5179.632-35.6000114.9L60 D84 V118 W238P48-L60 HydrophobicContact CB-CD1 3.3Å; P48-D84 HydrophobicContact CG-CB 4.1Å; P48-V118 HydrophobicContact CG-CG1 3.42Å; P48-V118 VanDerWaalsContact CG-CG1 3.42Å; P48-W238 HydrophobicContact CG-CH2 4.09Å; P48-W238 HydrophobicContact CG-CZ3 4.26Å
49T78Confident81.4Confident38 Ų3856.8 Ų56.823%0.23331%0.309CS..SBendtrans-95.2136.1175.751.60000109.9L47 N51 Q119L47-T49 PolarHBondContact O-N 2.88Å; T49-N51 PolarHBondContact O-N 3.33Å; T49-N51 VanDerWaalsContact O-N 3.15Å; T49-N51 PolarHBondContact O-ND2 3.47Å; T49-Q119 HydrophobicContact CG2-CG 4.33Å
50R76.2Confident80.3Confident194 Ų19458.1 Ų58.173%0.73232%0.316SS*.  trans-58.5122.9175.8-174.5178.8176.9-175.60.2109.3N54 A57R50-N54 WeakPolarHBondContact CA-O 3.4Å; R50-A57 HydrophobicContact CB-CB 4.08Å
51N80Confident79.7Confident19 Ų1964.9 Ų64.910%0.10235%0.351CS..BIsolated β-bridgetrans-147.3173.8177.168.873.8000109.5C44 T49 F53 N54 E55C44-N51 PolarHBondContact O-ND2 2.94Å; T49-N51 PolarHBondContact O-N 3.33Å; T49-N51 VanDerWaalsContact O-N 3.15Å; T49-N51 PolarHBondContact O-ND2 3.47Å; N51-F53 PolarHBondContact O-N 2.62Å; N51-F53 WeakPolarHBondContact OD1-CA 3.3Å; N51-F53 WeakPolarHBondContact OD1-CB 3.43Å; N51-F53 PolarHBondContact OD1-N 2.88Å; N51-N54 PolarHBondContact N-O 2.86Å; N51-N54 CarbonylContact O-C 3.15Å; N51-N54 PolarHBondContact O-N 3.36Å; N51-N54 PolarHBondContact OD1-N 3.28Å; N51-N54 VanDerWaalsContact OD1-N 3.17Å; N51-E55 PolarHBondContact O-N 3.35Å
52R79Confident79.4Confident143 Ų14366.3 Ų66.354%0.5437%0.366SS..THydrogen-bonded Turntrans-59.7-14.9-177.272.5-176.4-176.8174.85.6114.8
53F80.6Confident79.4Confident63 Ų6368.8 Ų68.828%0.27637%0.369SS..THydrogen-bonded Turntrans-110.9-5.7177.9-54-67.5000113.4Q41 C44 N51 M129Q41-F53 HydrophobicContact CB-CE1 4.45Å; Q41-F53 HydrophobicContact CG-CD1 4.15Å; Q41-F53 HydrophobicContact CG-CE1 3.61Å; Q41-F53 HydrophobicContact CG-CE2 3.99Å; Q41-F53 HydrophobicContact CG-CZ 3.49Å; Q41-F53 VanDerWaalsContact CG-CZ 3.49Å; C44-F53 HydrophobicContact CB-CB 3.83Å; C44-F53 HydrophobicContact CB-CD2 3.45Å; C44-F53 VanDerWaalsContact CB-CD2 3.45Å; C44-F53 HydrophobicContact CB-CE2 4.38Å; C44-F53 HydrophobicContact CB-CG 4.05Å; N51-F53 PolarHBondContact O-N 2.62Å; N51-F53 WeakPolarHBondContact OD1-CA 3.3Å; N51-F53 WeakPolarHBondContact OD1-CB 3.43Å; N51-F53 PolarHBondContact OD1-N 2.88Å; F53-M129 HydrophobicContact CD2-CE 4.42Å; F53-M129 HydrophobicContact CD2-SD 4.37Å; F53-M129 HydrophobicContact CE2-CE 3.68Å; F53-M129 HydrophobicContact CE2-SD 3.55Å; F53-M129 VanDerWaalsContact CE2-SD 3.55Å; F53-M129 HydrophobicContact CZ-SD 4.38Å
54N78.1Confident79.4Confident22 Ų2274.8 Ų74.812%0.11840%0.395CS..BIsolated β-bridgetrans-139.675.1172.9-170.33000109L47 R50 N51 S56 A57L47-N54 PolarHBondContact O-ND2 2.9Å; R50-N54 WeakPolarHBondContact CA-O 3.4Å; N51-N54 PolarHBondContact N-O 2.86Å; N51-N54 CarbonylContact O-C 3.15Å; N51-N54 PolarHBondContact O-N 3.36Å; N51-N54 PolarHBondContact OD1-N 3.28Å; N51-N54 VanDerWaalsContact OD1-N 3.17Å; N54-S56 VanDerWaalsContact C-N 3.26Å; N54-A57 PolarHBondContact OD1-N 3.48Å; N54-A57 VanDerWaalsContact OD1-N 3.16Å
55E71.3Confident79.6Confident140 Ų14075.8 Ų75.865%0.65440%0.399SS*.THydrogen-bonded Turntrans-68.7-31178.6-63.2-170.7168.800111.7N51 A57N51-E55 PolarHBondContact O-N 3.35Å; E55-A57 VanDerWaalsContact C-N 3.31Å; E55-A57 PolarHBondContact O-N 3.49Å
56S66.4Low79.9Confident84 Ų8478.6 Ų78.659%0.58741%0.407SS*.THydrogen-bonded Turntrans-89.720.4-177.7-54.60000113.5N54 S58 A59N54-S56 VanDerWaalsContact C-N 3.26Å; S56-S58 PolarHBondContact O-N 3.42Å; S56-A59 VanDerWaalsContact O-CB 3.31Å; S56-A59 WeakPolarHBondContact O-CB 3.32Å; S56-A59 PolarHBondContact O-N 2.95Å
57A61.5Low80.2Confident9 Ų974.4 Ų74.47%0.07439%0.389CS..G310 helixtrans-53.2-24.3-178.700000113.7R50 N54 E55 A59 L60R50-A57 HydrophobicContact CB-CB 4.08Å; N54-A57 PolarHBondContact OD1-N 3.48Å; N54-A57 VanDerWaalsContact OD1-N 3.16Å; E55-A57 VanDerWaalsContact C-N 3.31Å; E55-A57 PolarHBondContact O-N 3.49Å; A57-A59 PolarHBondContact O-N 3.23Å; A57-L60 WeakPolarHBondContact O-CG 3.38Å
58S51.1Low80.5Confident119 Ų11977.7 Ų77.783%0.83241%0.409SS*.G310 helixtrans-69.8-7.1173.2-55.90000115.1S56S56-S58 PolarHBondContact O-N 3.42Å
59A59.4Low81Confident76 Ų7678 Ų7863%0.62841%0.41SS*.G310 helixtrans-101.511.3-178.600000113.6S56 A57 L61S56-A59 VanDerWaalsContact O-CB 3.31Å; S56-A59 WeakPolarHBondContact O-CB 3.32Å; S56-A59 PolarHBondContact O-N 2.95Å; A57-A59 PolarHBondContact O-N 3.23Å; A59-L61 PolarHBondContact O-N 3.4Å
60L76Confident81.7Confident67 Ų6781.5 Ų81.535%0.35144%0.443SS..PPolyproline II helixtrans-62.9128.5178.2-70.2176000111.1P48 A57P48-L60 HydrophobicContact CB-CD1 3.3Å; A57-L60 WeakPolarHBondContact O-CG 3.38Å
61L83.6Confident82.5Confident143 Ų14376.2 Ų76.275%0.74943%0.433SS*.PPolyproline II helixtrans-68.4138176.8-67.3174.7000109.7A59 E63A59-L61 PolarHBondContact O-N 3.4Å; L61-E63 PolarHBondContact O-N 3.4Å
62P89.3Confident83.2Confident88 Ų8877.1 Ų77.157%0.57145%0.446SS*.PPolyproline II helixtrans-61.5128.4172.5-19.430000111.6T80 L81 V82P62-T80 HydrophobicContact CB-CG2 3.67Å; P62-L81 WeakPolarHBondContact CA-O 3.39Å; P62-V82 HydrophobicContact CB-CG2 3.84Å; P62-V82 HydrophobicContact CG-CG2 3.89Å
63E92.9Very high83.8Confident84 Ų8477.1 Ų77.139%0.39345%0.453SS..EExtended strand (participates in β ladder)trans-111.7127.3176.5-70.8-176.4-111.800110.6L61 F65 T80 L81L61-E63 PolarHBondContact O-N 3.4Å; E63-F65 HydrophobicContact CB-CE2 3.6Å; E63-F65 HydrophobicContact CB-CZ 3.84Å; E63-T80 CarbonylContact O-C 3.49Å; E63-T80 VanDerWaalsContact O-CA 3.28Å; E63-T80 WeakPolarHBondContact O-CA 3.3Å; E63-L81 PolarHBondContact N-O 3.07Å; E63-L81 PolarHBondContact O-N 3.26Å
64K95.1Very high84.6Confident125 Ų12575.4 Ų75.454%0.54345%0.446SS..EExtended strand (participates in β ladder)trans-101.4124.8-177.9-172.6178.5-177.7176.80111.3S78 F79K64-S78 WeakPolarHBondContact CE-OG 3.12Å; K64-F79 CarbonylContact C-O 3.51Å; K64-F79 WeakPolarHBondContact CA-O 3.32Å
65F96.3Very high85.5Confident21 Ų2174.4 Ų74.49%0.09244%0.441CS..EExtended strand (participates in β ladder)trans-115.3124.8178-59.3-83.3000109.9E63 S78 F79 L81 V236E63-F65 HydrophobicContact CB-CE2 3.6Å; E63-F65 HydrophobicContact CB-CZ 3.84Å; F65-S78 CarbonylContact O-C 3.44Å; F65-S78 VanDerWaalsContact O-CA 3.26Å; F65-S78 WeakPolarHBondContact O-CA 3.36Å; F65-F79 PolarHBondContact N-O 3.19Å; F65-F79 PolarHBondContact O-N 3.49Å; F65-L81 HydrophobicContact CD2-CD1 3.95Å; F65-L81 HydrophobicContact CD2-CG 3.93Å; F65-L81 HydrophobicContact CE2-CB 4.15Å; F65-L81 HydrophobicContact CE2-CD1 3.67Å; F65-L81 HydrophobicContact CE2-CG 3.87Å; F65-V236 HydrophobicContact CD1-CG2 4.03Å; F65-V236 HydrophobicContact CE1-CB 4.19Å; F65-V236 HydrophobicContact CE1-CG1 4.08Å; F65-V236 HydrophobicContact CE1-CG2 3.8Å; F65-V236 HydrophobicContact CE2-CG1 4.49Å; F65-V236 HydrophobicContact CG-CG2 4.49Å; F65-V236 HydrophobicContact CZ-CB 4.36Å; F65-V236 HydrophobicContact CZ-CG1 3.77Å; F65-V236 HydrophobicContact CZ-CG2 4.07Å
66N96.7Very high86.7Confident111 Ų11174.1 Ų74.159%0.59444%0.437SS*.EExtended strand (participates in β ladder)trans-106133.7175.5-57.9-52.1000108.9S78N66-S78 WeakPolarHBondContact OD1-CB 3.36Å; N66-S78 PolarHBondContact OD1-OG 2.91Å
67M96.7Very high88.1Confident5 Ų570.3 Ų70.33%0.02541%0.411CS..EExtended strand (participates in β ladder)trans-137.1144.3-174.1-54157.174.500109.3C77 F79 L210 F212 C232 C234M67-C77 PolarHBondContact N-O 3.46Å; M67-C77 PolarHBondContact O-N 3.41Å; M67-F79 HydrophobicContact SD-CD2 3.49Å; M67-F79 WeakPolarHBondContact SD-CD2 3.43Å; M67-F79 HydrophobicContact SD-CE2 3.69Å; M67-L210 WeakPolarHBondContact CE-O 3.48Å; M67-L210 HydrophobicContact SD-CD2 4.28Å; M67-F212 HydrophobicContact CE-CB 4.06Å; M67-C232 HydrophobicContact CB-CB 4.04Å; M67-C232 VanDerWaalsContact CE-O 3.29Å; M67-C232 WeakPolarHBondContact CE-O 3.23Å; M67-C234 HydrophobicContact CG-CB 3.65Å; M67-C234 WeakPolarHBondContact CG-SG 3.49Å; M67-C234 HydrophobicContact SD-CB 4.48Å; M67-C234 VanDerWaalsContact SD-SG 3.64Å
68T97Very high89.8Confident69 Ų6970.3 Ų70.342%0.42341%0.41SS..EExtended strand (participates in β ladder)trans-136.8155.8173.456.60000109.8L75 K76 C232T68-L75 CarbonylContact C-O 3.53Å; T68-L75 VanDerWaalsContact CA-O 3.23Å; T68-L75 WeakPolarHBondContact CA-O 3.44Å; T68-K76 HydrophobicContact CG2-CB 4.17Å; T68-K76 HydrophobicContact CG2-CD 4.46Å; T68-K76 HydrophobicContact CG2-CG 3.97Å; T68-C232 WeakPolarHBondContact O-CB 3.32Å
69D95.6Very high91.8Very high17 Ų1764.6 Ų64.69%0.09137%0.37CS..  trans-63.3173.1166.764.8-19.2000111.4T71 G72 E73 N74 L75 E231D69-T71 PolarHBondContact O-N 3.03Å; D69-T71 VanDerWaalsContact O-N 3.17Å; D69-T71 PolarHBondContact OD2-OG1 3.34Å; D69-G72 PolarHBondContact O-N 3.05Å; D69-G72 VanDerWaalsContact OD1-CA 3.23Å; D69-G72 WeakPolarHBondContact OD1-CA 3.23Å; D69-G72 PolarHBondContact OD1-N 3.43Å; D69-E73 PolarHBondContact OD1-N 3.1Å; D69-N74 PolarHBondContact OD1-N 3.25Å; D69-N74 WeakPolarHBondContact OD2-CB 3.33Å; D69-N74 PolarHBondContact OD2-N 3.3Å; D69-N74 PolarHBondContact OD2-ND2 2.88Å; D69-L75 HydrophobicContact CB-CB 4.06Å; D69-L75 PolarHBondContact N-O 3.22Å; D69-L75 PolarHBondContact OD1-N 3.26Å; D69-L75 PolarHBondContact OD2-N 2.87Å; D69-E231 WeakPolarHBondContact CA-O 3.45Å; D69-E231 WeakPolarHBondContact CB-O 3.22Å
70A93.4Very high93.5Very high113 Ų11362.2 Ų62.293%0.93435%0.348SS*.SBendtrans-58.1-29.3-178.100000113.5
71T93Very high94.2Very high83 Ų8359.1 Ų59.151%0.50933%0.332SS..SBendtrans-89.4-23.2177.168.80000112.8D69 E73 N74D69-T71 PolarHBondContact O-N 3.03Å; D69-T71 VanDerWaalsContact O-N 3.17Å; D69-T71 PolarHBondContact OD2-OG1 3.34Å; T71-E73 PolarHBondContact O-N 3.1Å; T71-E73 PolarHBondContact OG1-N 3.2Å; T71-N74 PolarHBondContact OG1-ND2 3.12Å; T71-N74 VanDerWaalsContact OG1-ND2 3.12Å
72G93.1Very high94.5Very high38 Ų3854.7 Ų54.739%0.39231%0.31SS..SBendtrans76.72.4-17200000114.3D69D69-G72 PolarHBondContact O-N 3.05Å; D69-G72 VanDerWaalsContact OD1-CA 3.23Å; D69-G72 WeakPolarHBondContact OD1-CA 3.23Å; D69-G72 PolarHBondContact OD1-N 3.43Å
73E93.3Very high94.4Very high143 Ų14350.9 Ų50.967%0.66829%0.287SS*.SBendtrans-108-34.1-168.7-63.6-177.2162.400113.1D69 T71 F102D69-E73 PolarHBondContact OD1-N 3.1Å; T71-E73 PolarHBondContact O-N 3.1Å; T71-E73 PolarHBondContact OG1-N 3.2Å; E73-F102 WeakPolarHBondContact O-CE1 3.36Å
74N95.7Very high94.3Very high27 Ų2747.8 Ų47.814%0.14427%0.273CS..SBendtrans-99.5-25.6-172.1-45.9-81.6000113.2D69 T71 V93 R94 Y230D69-N74 PolarHBondContact OD1-N 3.25Å; D69-N74 WeakPolarHBondContact OD2-CB 3.33Å; D69-N74 PolarHBondContact OD2-N 3.3Å; D69-N74 PolarHBondContact OD2-ND2 2.88Å; T71-N74 PolarHBondContact OG1-ND2 3.12Å; T71-N74 VanDerWaalsContact OG1-ND2 3.12Å; N74-V93 CarbonylContact O-C 3.57Å; N74-V93 VanDerWaalsContact O-CA 3.28Å; N74-V93 WeakPolarHBondContact O-CA 3.49Å; N74-R94 HydrophobicContact CB-CB 4.06Å; N74-R94 PolarHBondContact O-N 2.95Å; N74-R94 VanDerWaalsContact OD1-CD 3.23Å; N74-R94 WeakPolarHBondContact OD1-CD 3.38Å; N74-R94 PolarHBondContact OD1-NH1 3.08Å; N74-R94 VanDerWaalsContact OD1-NH1 3.11Å; N74-Y230 HydrophobicContact CB-CD1 3.51Å; N74-Y230 HydrophobicContact CB-CE1 3.41Å; N74-Y230 VanDerWaalsContact CB-CE1 3.41Å
75L96.9Very high94Very high1 Ų142.9 Ų42.91%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-141.6125.5178.8177.463.7000110.7T68 D69 T92 V93 F212 V214 C232T68-L75 CarbonylContact C-O 3.53Å; T68-L75 VanDerWaalsContact CA-O 3.23Å; T68-L75 WeakPolarHBondContact CA-O 3.44Å; D69-L75 HydrophobicContact CB-CB 4.06Å; D69-L75 PolarHBondContact N-O 3.22Å; D69-L75 PolarHBondContact OD1-N 3.26Å; D69-L75 PolarHBondContact OD2-N 2.87Å; L75-T92 WeakPolarHBondContact CA-O 3.3Å; L75-V93 HydrophobicContact CD1-CB 3.87Å; L75-V93 HydrophobicContact CD1-CG2 4.02Å; L75-F212 HydrophobicContact CD1-CD1 4.29Å; L75-F212 HydrophobicContact CD1-CE1 4.02Å; L75-F212 HydrophobicContact CD2-CD1 4.22Å; L75-V214 HydrophobicContact CD1-CG2 3.96Å; L75-V214 HydrophobicContact CD2-CG2 4.39Å; L75-C232 HydrophobicContact CD2-CB 4.08Å; L75-C232 VanDerWaalsContact CD2-SG 3.58Å
76K97.3Very high93.8Very high133 Ų13341.9 Ų41.958%0.57825%0.249SC*.EExtended strand (participates in β ladder)trans-135.3130.3171179.1173.4-176.8177.40109T68 T92T68-K76 HydrophobicContact CG2-CB 4.17Å; T68-K76 HydrophobicContact CG2-CD 4.46Å; T68-K76 HydrophobicContact CG2-CG 3.97Å; K76-T92 PolarHBondContact N-O 2.99Å; K76-T92 PolarHBondContact O-N 3.24Å
77C96.4Very high93.4Very high4 Ų438 Ų383%0.02723%0.232CC..EExtended strand (participates in β ladder)trans-142.2158.7174.757.40000112.9M67 F79 E90 I91 F212 C232M67-C77 PolarHBondContact N-O 3.46Å; M67-C77 PolarHBondContact O-N 3.41Å; C77-F79 HydrophobicContact CB-CE2 4Å; C77-F79 HydrophobicContact CB-CZ 4.36Å; C77-F79 WeakPolarHBondContact SG-CE2 3.37Å; C77-E90 CarbonylContact C-O 3.37Å; C77-E90 WeakPolarHBondContact CA-O 3.49Å; C77-E90 WeakPolarHBondContact CB-O 3.42Å; C77-I91 HydrophobicContact CB-CB 4.48Å; C77-I91 HydrophobicContact CB-CG1 3.81Å; C77-F212 HydrophobicContact CB-CD1 4.27Å; C77-F212 HydrophobicContact CB-CE1 4.29Å; C77-C232 PolarHBondContact SG-SG 2.88Å
78S96.2Very high93.2Very high9 Ų942.3 Ų42.36%0.06325%0.251CS..EExtended strand (participates in β ladder)trans-132.2124.9172.7-167.90000108.9K64 F65 N66 A89 E90K64-S78 WeakPolarHBondContact CE-OG 3.12Å; F65-S78 CarbonylContact O-C 3.44Å; F65-S78 VanDerWaalsContact O-CA 3.26Å; F65-S78 WeakPolarHBondContact O-CA 3.36Å; N66-S78 WeakPolarHBondContact OD1-CB 3.36Å; N66-S78 PolarHBondContact OD1-OG 2.91Å; S78-A89 CarbonylContact O-C 3.59Å; S78-A89 WeakPolarHBondContact O-CA 3.42Å; S78-E90 PolarHBondContact N-O 3.03Å; S78-E90 PolarHBondContact O-N 2.94Å
79F94.8Very high93.1Very high0 Ų039 Ų390%023%0.23CC..EExtended strand (participates in β ladder)trans-113.3134.6175.9-65.7-78.1000109.6K64 F65 M67 C77 V86 K88 A89 I91 W113 L203 L210 F212K64-F79 CarbonylContact C-O 3.51Å; K64-F79 WeakPolarHBondContact CA-O 3.32Å; F65-F79 PolarHBondContact N-O 3.19Å; F65-F79 PolarHBondContact O-N 3.49Å; M67-F79 HydrophobicContact SD-CD2 3.49Å; M67-F79 WeakPolarHBondContact SD-CD2 3.43Å; M67-F79 HydrophobicContact SD-CE2 3.69Å; C77-F79 HydrophobicContact CB-CE2 4Å; C77-F79 HydrophobicContact CB-CZ 4.36Å; C77-F79 WeakPolarHBondContact SG-CE2 3.37Å; F79-V86 HydrophobicContact CD1-CG1 3.78Å; F79-K88 CarbonylContact C-O 3.38Å; F79-A89 HydrophobicContact CD1-CB 3.58Å; F79-A89 HydrophobicContact CE1-CB 3.69Å; F79-I91 HydrophobicContact CE1-CD1 4.42Å; F79-I91 HydrophobicContact CZ-CD1 4.43Å; F79-W113 HydrophobicContact CE1-CH2 4.26Å; F79-W113 AromaticContact CE1-CZ3 3.9Å; F79-W113 HydrophobicContact CE1-CZ3 3.9Å; F79-L203 HydrophobicContact CD1-CD2 4.32Å; F79-L203 HydrophobicContact CD2-CD1 4.42Å; F79-L203 HydrophobicContact CE1-CD1 4.1Å; F79-L203 HydrophobicContact CE1-CD2 4.08Å; F79-L203 HydrophobicContact CE2-CD1 3.89Å; F79-L203 HydrophobicContact CZ-CD1 3.73Å; F79-L210 HydrophobicContact CB-CD2 4.26Å; F79-L210 HydrophobicContact CD2-CD2 4.1Å; F79-L210 HydrophobicContact CG-CD2 4.27Å; F79-F212 HydrophobicContact CE2-CB 3.9Å; F79-F212 HydrophobicContact CE2-CD1 4.16Å; F79-F212 HydrophobicContact CE2-CD2 4.36Å; F79-F212 AromaticContact CE2-CG 3.9Å; F79-F212 HydrophobicContact CE2-CG 3.9Å; F79-F212 HydrophobicContact CZ-CB 4.1Å; F79-F212 AromaticContact CZ-CD1 3.96Å; F79-F212 HydrophobicContact CZ-CD1 3.96Å; F79-F212 AromaticContact CZ-CD2 3.69Å; F79-F212 HydrophobicContact CZ-CD2 3.69Å; F79-F212 HydrophobicContact CZ-CE1 4.23Å; F79-F212 AromaticContact CZ-CE2 4Å; F79-F212 HydrophobicContact CZ-CE2 4Å; F79-F212 AromaticContact CZ-CG 3.65Å; F79-F212 HydrophobicContact CZ-CG 3.65Å; F79-F212 HydrophobicContact CZ-CZ 4.22Å
80T93.6Very high93.1Very high25 Ų2541.8 Ų41.815%0.15324%0.243CC..EExtended strand (participates in β ladder)trans-107.9111.7168.4-56.40000108.3P62 E63 A87 K88P62-T80 HydrophobicContact CB-CG2 3.67Å; E63-T80 CarbonylContact O-C 3.49Å; E63-T80 VanDerWaalsContact O-CA 3.28Å; E63-T80 WeakPolarHBondContact O-CA 3.3Å; T80-A87 PolarHBondContact O-N 3.44Å; T80-K88 PolarHBondContact N-O 2.94Å; T80-K88 PolarHBondContact O-N 3.44Å
81L91.8Very high93.2Very high2 Ų236.5 Ų36.51%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-92.2134.8177.6-57.3-174.8000109.7P62 E63 F65 N85 V86 L115 L210 F239P62-L81 WeakPolarHBondContact CA-O 3.39Å; E63-L81 PolarHBondContact N-O 3.07Å; E63-L81 PolarHBondContact O-N 3.26Å; F65-L81 HydrophobicContact CD2-CD1 3.95Å; F65-L81 HydrophobicContact CD2-CG 3.93Å; F65-L81 HydrophobicContact CE2-CB 4.15Å; F65-L81 HydrophobicContact CE2-CD1 3.67Å; F65-L81 HydrophobicContact CE2-CG 3.87Å; L81-N85 WeakPolarHBondContact CA-O 3.47Å; L81-V86 HydrophobicContact CD2-CB 4.39Å; L81-V86 HydrophobicContact CD2-CG2 3.75Å; L81-L115 HydrophobicContact CD1-CD1 4.35Å; L81-L115 HydrophobicContact CD2-CD1 4.22Å; L81-L210 HydrophobicContact CD1-CD2 4.4Å; L81-F239 HydrophobicContact CD1-CZ 4.39Å
82V89.2Confident93.4Very high50 Ų5034.7 Ų34.730%0.30319%0.188SC..EExtended strand (participates in β ladder)trans-121.194.4164.81790000105.7P62 D84 N85 A87P62-V82 HydrophobicContact CB-CG2 3.84Å; P62-V82 HydrophobicContact CG-CG2 3.89Å; V82-D84 PolarHBondContact O-N 3.47Å; V82-N85 PolarHBondContact N-O 3.25Å; V82-N85 PolarHBondContact O-N 3.32Å; V82-N85 VanDerWaalsContact O-N 3.12Å; V82-A87 HydrophobicContact CB-CB 4.25Å; V82-A87 HydrophobicContact CG2-CB 3.63Å
83G88.2Confident93.6Very high8 Ų832.9 Ų32.98%0.08217%0.169CC..THydrogen-bonded Turntrans64.9-121-172.900000113.3N85 W238G83-N85 VanDerWaalsContact C-N 3.33Å; G83-W238 WeakPolarHBondContact O-CZ2 3.5Å
84D89.7Confident93.7Very high19 Ų1931.4 Ų31.410%0.10216%0.157CC..THydrogen-bonded Turntrans-870.8176.169.8-29.1000113.4P48 V82 K114 L115 V118 Q119P48-D84 HydrophobicContact CG-CB 4.1Å; V82-D84 PolarHBondContact O-N 3.47Å; D84-K114 CarbonylContact O-C 3.53Å; D84-K114 WeakPolarHBondContact O-CA 3.36Å; D84-L115 WeakPolarHBondContact O-CB 3.47Å; D84-L115 PolarHBondContact O-N 2.98Å; D84-V118 HydrophobicContact CB-CB 3.84Å; D84-V118 HydrophobicContact CB-CG1 3.91Å; D84-V118 HydrophobicContact CB-CG2 4.41Å; D84-Q119 WeakPolarHBondContact OD2-CG 3.26Å; D84-Q119 PolarHBondContact OD2-NE2 3.16Å
85N89.3Confident93.6Very high22 Ų2230.4 Ų30.412%0.11815%0.152CC..EExtended strand (participates in β ladder)trans-107132.8-175.7-172.351.7000112L81 V82 G83 A87 Q112 W113L81-N85 WeakPolarHBondContact CA-O 3.47Å; V82-N85 PolarHBondContact N-O 3.25Å; V82-N85 PolarHBondContact O-N 3.32Å; V82-N85 VanDerWaalsContact O-N 3.12Å; G83-N85 VanDerWaalsContact C-N 3.33Å; N85-A87 PolarHBondContact O-N 3.06Å; N85-A87 VanDerWaalsContact O-N 3.17Å; N85-Q112 VanDerWaalsContact OD1-CA 3.32Å; N85-Q112 WeakPolarHBondContact OD1-CA 3.38Å; N85-Q112 VanDerWaalsContact OD1-CB 3.28Å; N85-Q112 WeakPolarHBondContact OD1-CB 3.42Å; N85-W113 PolarHBondContact OD1-N 3.17Å; N85-W113 PolarHBondContact OD1-O 3.23Å
86V91.1Very high93.3Very high1 Ų132.3 Ų32.31%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-7798.2165-1790000107.5F79 L81 A89 W113 L115 L203F79-V86 HydrophobicContact CD1-CG1 3.78Å; L81-V86 HydrophobicContact CD2-CB 4.39Å; L81-V86 HydrophobicContact CD2-CG2 3.75Å; V86-A89 HydrophobicContact CG1-CB 4.13Å; V86-W113 HydrophobicContact CB-CB 4.03Å; V86-W113 HydrophobicContact CB-CD2 4.32Å; V86-W113 HydrophobicContact CB-CE3 4.28Å; V86-W113 HydrophobicContact CB-CG 4.19Å; V86-W113 WeakPolarHBondContact CB-O 3.48Å; V86-W113 HydrophobicContact CG1-CE3 4.07Å; V86-W113 HydrophobicContact CG2-CB 4.47Å; V86-W113 HydrophobicContact CG2-CD2 4.16Å; V86-W113 HydrophobicContact CG2-CE3 4.37Å; V86-W113 HydrophobicContact CG2-CG 4.15Å; V86-W113 PolarHBondContact N-O 2.99Å; V86-L115 HydrophobicContact CG2-CD2 4.47Å; V86-L203 HydrophobicContact CG2-CD2 3.52Å
87A89.4Confident92.9Very high29 Ų2931.2 Ų31.224%0.2416%0.159CC..EExtended strand (participates in β ladder)trans-77.6-30.1-177.900000112.8T80 V82 N85T80-A87 PolarHBondContact O-N 3.44Å; V82-A87 HydrophobicContact CB-CB 4.25Å; V82-A87 HydrophobicContact CG2-CB 3.63Å; N85-A87 PolarHBondContact O-N 3.06Å; N85-A87 VanDerWaalsContact O-N 3.17Å
88K91.8Very high92.7Very high95 Ų9533.4 Ų33.441%0.41317%0.171SC..EExtended strand (participates in β ladder)trans-147143.7174.1-171.9178.4175.4-169.90109.4F79 T80 E90F79-K88 CarbonylContact C-O 3.38Å; T80-K88 PolarHBondContact N-O 2.94Å; T80-K88 PolarHBondContact O-N 3.44Å; K88-E90 WeakPolarHBondContact CE-OE1 3.45Å; K88-E90 IonicContact NZ-OE1 3.41Å; K88-E90 PolarHBondContact NZ-OE1 2.95Å
89A94.4Very high92.5Very high0 Ų039 Ų390%021%0.207CC..EExtended strand (participates in β ladder)trans-137.5143.5165.800000110.7S78 F79 V86 I91 V106 V107S78-A89 CarbonylContact O-C 3.59Å; S78-A89 WeakPolarHBondContact O-CA 3.42Å; F79-A89 HydrophobicContact CD1-CB 3.58Å; F79-A89 HydrophobicContact CE1-CB 3.69Å; V86-A89 HydrophobicContact CG1-CB 4.13Å; A89-I91 HydrophobicContact CB-CD1 4.29Å; A89-V106 CarbonylContact O-C 3.54Å; A89-V106 VanDerWaalsContact O-CA 3.23Å; A89-V106 WeakPolarHBondContact O-CA 3.45Å; A89-V107 HydrophobicContact CB-CB 3.89Å; A89-V107 HydrophobicContact CB-CG2 3.66Å; A89-V107 PolarHBondContact O-N 3.23Å
90E95.5Very high92.4Very high75 Ų7541.8 Ų41.835%0.3523%0.227SC..EExtended strand (participates in β ladder)trans-125.1122.6171.1-64.6173.4-179.700107C77 S78 K88 V106C77-E90 CarbonylContact C-O 3.37Å; C77-E90 WeakPolarHBondContact CA-O 3.49Å; C77-E90 WeakPolarHBondContact CB-O 3.42Å; S78-E90 PolarHBondContact N-O 3.03Å; S78-E90 PolarHBondContact O-N 2.94Å; K88-E90 WeakPolarHBondContact CE-OE1 3.45Å; K88-E90 IonicContact NZ-OE1 3.41Å; K88-E90 PolarHBondContact NZ-OE1 2.95Å; E90-V106 HydrophobicContact CG-CG1 4.19Å
91I96Very high92.5Very high3 Ų346 Ų462%0.01524%0.244CC..EExtended strand (participates in β ladder)trans-130133.7-171.8-67.2156.6000109.3C77 F79 A89 R104 A105 F191 F201 F212C77-I91 HydrophobicContact CB-CB 4.48Å; C77-I91 HydrophobicContact CB-CG1 3.81Å; F79-I91 HydrophobicContact CE1-CD1 4.42Å; F79-I91 HydrophobicContact CZ-CD1 4.43Å; A89-I91 HydrophobicContact CB-CD1 4.29Å; I91-R104 CarbonylContact O-C 3.52Å; I91-R104 VanDerWaalsContact O-CA 3.27Å; I91-R104 WeakPolarHBondContact O-CA 3.41Å; I91-A105 PolarHBondContact N-O 2.88Å; I91-A105 PolarHBondContact O-N 3.4Å; I91-F191 HydrophobicContact CD1-CD1 4.32Å; I91-F191 HydrophobicContact CD1-CE1 3.46Å; I91-F191 VanDerWaalsContact CD1-CE1 3.46Å; I91-F191 HydrophobicContact CD1-CZ 4.25Å; I91-F201 HydrophobicContact CG2-CE1 4.27Å; I91-F212 HydrophobicContact CD1-CE1 4.08Å; I91-F212 HydrophobicContact CD1-CE2 4.33Å; I91-F212 HydrophobicContact CD1-CZ 3.56Å; I91-F212 HydrophobicContact CG1-CE1 4.01Å; I91-F212 HydrophobicContact CG1-CZ 4.02Å; I91-F212 HydrophobicContact CG2-CE1 3.98Å; I91-F212 HydrophobicContact CG2-CZ 4.2Å
92T97.2Very high92.7Very high44 Ų4448.8 Ų48.827%0.2726%0.256SS..EExtended strand (participates in β ladder)trans-130117.9170.9-63.10000107.9L75 K76 F102 Y103 R104L75-T92 WeakPolarHBondContact CA-O 3.3Å; K76-T92 PolarHBondContact N-O 2.99Å; K76-T92 PolarHBondContact O-N 3.24Å; T92-F102 HydrophobicContact CG2-CB 4.39Å; T92-F102 HydrophobicContact CG2-CD1 3.8Å; T92-F102 HydrophobicContact CG2-CE1 4.48Å; T92-F102 HydrophobicContact CG2-CG 4.32Å; T92-Y103 WeakPolarHBondContact CA-O 3.18Å; T92-R104 HydrophobicContact CG2-CG 4.01Å
93V96.9Very high93Very high0 Ų046.8 Ų46.80%024%0.243CC..EExtended strand (participates in β ladder)trans-133.6142.6179.964.90000110.7N74 L75 H95 F102 Y103 L199 F201 V214 Y230N74-V93 CarbonylContact O-C 3.57Å; N74-V93 VanDerWaalsContact O-CA 3.28Å; N74-V93 WeakPolarHBondContact O-CA 3.49Å; L75-V93 HydrophobicContact CD1-CB 3.87Å; L75-V93 HydrophobicContact CD1-CG2 4.02Å; V93-H95 PolarHBondContact O-N 3.28Å; V93-F102 CarbonylContact O-C 3.54Å; V93-F102 VanDerWaalsContact O-CA 3.29Å; V93-F102 WeakPolarHBondContact O-CA 3.36Å; V93-Y103 HydrophobicContact CG1-CD1 3.95Å; V93-Y103 HydrophobicContact CG1-CG 4.45Å; V93-Y103 PolarHBondContact N-O 2.93Å; V93-Y103 PolarHBondContact O-N 3.41Å; V93-L199 HydrophobicContact CG1-CD1 4.01Å; V93-F201 HydrophobicContact CG1-CE1 4.5Å; V93-V214 HydrophobicContact CG1-CG1 4.24Å; V93-V214 HydrophobicContact CG2-CB 4.01Å; V93-V214 HydrophobicContact CG2-CG1 3.98Å; V93-V214 HydrophobicContact CG2-CG2 4.21Å; V93-Y230 HydrophobicContact CG2-CD2 3.61Å; V93-Y230 HydrophobicContact CG2-CE2 4.12Å; V93-Y230 HydrophobicContact CG2-CG 3.96Å
94R95.7Very high93.5Very high113 Ų11353.5 Ų53.543%0.42627%0.266SS..EExtended strand (participates in β ladder)trans-62.2134.9176-174.8175.1-178.6176-0.1110.5N74 H101 F102 Y230N74-R94 HydrophobicContact CB-CB 4.06Å; N74-R94 PolarHBondContact O-N 2.95Å; N74-R94 VanDerWaalsContact OD1-CD 3.23Å; N74-R94 WeakPolarHBondContact OD1-CD 3.38Å; N74-R94 PolarHBondContact OD1-NH1 3.08Å; N74-R94 VanDerWaalsContact OD1-NH1 3.11Å; R94-H101 CarbonylContact C-O 3.57Å; R94-H101 WeakPolarHBondContact CA-O 3.41Å; R94-F102 HydrophobicContact CB-CD1 4.4Å; R94-F102 HydrophobicContact CB-CE1 4.15Å; R94-Y230 HydrophobicContact CB-CE1 4.19Å
95H94.5Very high93.7Very high5 Ų552.9 Ų52.92%0.02326%0.264CS..  trans-138.4108.1177.6-169-62.8000109.6V93 K97 L98 H101 D198V93-H95 PolarHBondContact O-N 3.28Å; H95-K97 VanDerWaalsContact C-N 3.27Å; H95-K97 PolarHBondContact ND1-N 2.96Å; H95-K97 PolarHBondContact O-N 3.38Å; H95-K97 VanDerWaalsContact O-N 3.15Å; H95-L98 HydrophobicContact CB-CB 4.25Å; H95-L98 HydrophobicContact CB-CD1 3.8Å; H95-L98 HydrophobicContact CB-CG 4.01Å; H95-L98 PolarHBondContact ND1-N 2.91Å; H95-L98 PolarHBondContact O-N 2.65Å; H95-H101 PolarHBondContact N-O 3.49Å; H95-H101 CarbonylContact O-C 3.37Å; H95-H101 WeakPolarHBondContact O-CA 3.34Å; H95-D198 IonicContact CE1-OD2 3.49Å; H95-D198 IonicContact NE2-OD1 3.48Å; H95-D198 PolarHBondContact NE2-OD1 3.49Å; H95-D198 IonicContact NE2-OD2 3.3Å; H95-D198 PolarHBondContact NE2-OD2 3.07Å
96P89.7Confident94Very high41 Ų4155 Ų5527%0.26628%0.277SS..THydrogen-bonded Turntrans-56.2-36.8-171.4-28.235.4000114.7Y216P96-Y216 HydrophobicContact CG-CD1 4.38Å; P96-Y216 HydrophobicContact CG-CE1 3.86Å
97K89.4Confident93.9Very high110 Ų11055.2 Ų55.248%0.47828%0.279SS..THydrogen-bonded Turntrans-90.4-7.9-173.4-60177.1176.4169.20115.8H95 Y216 D225H95-K97 VanDerWaalsContact C-N 3.27Å; H95-K97 PolarHBondContact ND1-N 2.96Å; H95-K97 PolarHBondContact O-N 3.38Å; H95-K97 VanDerWaalsContact O-N 3.15Å; K97-Y216 VanDerWaalsContact CE-OH 3.29Å; K97-Y216 WeakPolarHBondContact CE-OH 3.49Å; K97-D225 WeakPolarHBondContact CE-OD2 3.42Å; K97-D225 IonicContact NZ-OD2 2.85Å; K97-D225 PolarHBondContact NZ-OD2 2.92Å
98L91.4Very high93.5Very high50 Ų5056.8 Ų56.826%0.26228%0.281SS..SBendtrans-81.3143.9177.9-73.7179.2000109.6H95 S100 H101 Y103H95-L98 HydrophobicContact CB-CB 4.25Å; H95-L98 HydrophobicContact CB-CD1 3.8Å; H95-L98 HydrophobicContact CB-CG 4.01Å; H95-L98 PolarHBondContact ND1-N 2.91Å; H95-L98 PolarHBondContact O-N 2.65Å; L98-S100 PolarHBondContact O-N 2.85Å; L98-S100 VanDerWaalsContact O-N 3.16Å; L98-H101 WeakPolarHBondContact O-CA 3.47Å; L98-H101 PolarHBondContact O-N 3.31Å; L98-Y103 HydrophobicContact CD1-CD2 4.3Å
99P91.9Very high92.7Very high126 Ų12657.2 Ų57.282%0.81829%0.294SS*.THydrogen-bonded Turntrans-57.2-32.1178.6-26.334.2000113.9H101P99-H101 VanDerWaalsContact C-N 3.28Å
100S93.8Very high91.7Very high60 Ų6063 Ų6342%0.4232%0.324SS..THydrogen-bonded Turntrans-78.6-8.5175.752.40000113.8L98 F102L98-S100 PolarHBondContact O-N 2.85Å; L98-S100 VanDerWaalsContact O-N 3.16Å; S100-F102 VanDerWaalsContact O-CD2 3.32Å; S100-F102 WeakPolarHBondContact O-CD2 3.38Å; S100-F102 PolarHBondContact O-N 3.34Å; S100-F102 PolarHBondContact OG-N 2.84Å; S100-F102 PolarHBondContact OG-O 3.15Å
101H94.9Very high90.6Very high113 Ų11361.2 Ų61.252%0.52332%0.317SS..SBendtrans56.37.4-163.7-57.2-62.2000115.6R94 H95 L98 P99R94-H101 CarbonylContact C-O 3.57Å; R94-H101 WeakPolarHBondContact CA-O 3.41Å; H95-H101 PolarHBondContact N-O 3.49Å; H95-H101 CarbonylContact O-C 3.37Å; H95-H101 WeakPolarHBondContact O-CA 3.34Å; L98-H101 WeakPolarHBondContact O-CA 3.47Å; L98-H101 PolarHBondContact O-N 3.31Å; P99-H101 VanDerWaalsContact C-N 3.28Å
102F96.8Very high89.5Confident60 Ų6065.8 Ų65.826%0.26334%0.338SS..EExtended strand (participates in β ladder)trans-139.3129.9-176.8-72.8-81.8000110.9E73 T92 V93 R94 S100E73-F102 WeakPolarHBondContact O-CE1 3.36Å; T92-F102 HydrophobicContact CG2-CB 4.39Å; T92-F102 HydrophobicContact CG2-CD1 3.8Å; T92-F102 HydrophobicContact CG2-CE1 4.48Å; T92-F102 HydrophobicContact CG2-CG 4.32Å; V93-F102 CarbonylContact O-C 3.54Å; V93-F102 VanDerWaalsContact O-CA 3.29Å; V93-F102 WeakPolarHBondContact O-CA 3.36Å; R94-F102 HydrophobicContact CB-CD1 4.4Å; R94-F102 HydrophobicContact CB-CE1 4.15Å; S100-F102 VanDerWaalsContact O-CD2 3.32Å; S100-F102 WeakPolarHBondContact O-CD2 3.38Å; S100-F102 PolarHBondContact O-N 3.34Å; S100-F102 PolarHBondContact OG-N 2.84Å; S100-F102 PolarHBondContact OG-O 3.15Å
103Y96.4Very high89Confident8 Ų863.9 Ų63.93%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-85.1128.2162.5175.6-105.3000109T92 V93 L98 A105 P193 L194 P195 P196 L199 F201T92-Y103 WeakPolarHBondContact CA-O 3.18Å; V93-Y103 HydrophobicContact CG1-CD1 3.95Å; V93-Y103 HydrophobicContact CG1-CG 4.45Å; V93-Y103 PolarHBondContact N-O 2.93Å; V93-Y103 PolarHBondContact O-N 3.41Å; L98-Y103 HydrophobicContact CD1-CD2 4.3Å; Y103-A105 HydrophobicContact CD1-CB 4.5Å; Y103-A105 HydrophobicContact CE1-CB 3.57Å; Y103-A105 HydrophobicContact CE2-CB 4.4Å; Y103-A105 WeakPolarHBondContact OH-CB 3.37Å; Y103-P193 HydrophobicContact CE2-CG 4.01Å; Y103-P193 PolarHBondContact OH-O 3.37Å; Y103-L194 VanDerWaalsContact OH-C 3.29Å; Y103-L194 PolarHBondContact OH-O 3.43Å; Y103-P195 WeakPolarHBondContact OH-CA 3.48Å; Y103-P195 VanDerWaalsContact OH-N 3.17Å; Y103-P196 HydrophobicContact CD2-CG 4.03Å; Y103-P196 VanDerWaalsContact CE2-CD 3.42Å; Y103-P196 HydrophobicContact CE2-CG 4.35Å; Y103-L199 HydrophobicContact CD1-CD1 3.84Å; Y103-L199 HydrophobicContact CG-CD1 3.94Å; Y103-F201 AromaticContact CD1-CZ 3.9Å; Y103-F201 HydrophobicContact CD1-CZ 3.9Å; Y103-F201 HydrophobicContact CE1-CE1 4.35Å; Y103-F201 HydrophobicContact CE1-CE2 4.43Å; Y103-F201 AromaticContact CE1-CZ 3.63Å; Y103-F201 HydrophobicContact CE1-CZ 3.63Å
104R97Very high88.5Confident150 Ų15067.8 Ų67.857%0.56634%0.343SS*.EExtended strand (participates in β ladder)trans-126.1127.9178-62.4-175.7-176125.72.6108.9I91 T92 P193I91-R104 CarbonylContact O-C 3.52Å; I91-R104 VanDerWaalsContact O-CA 3.27Å; I91-R104 WeakPolarHBondContact O-CA 3.41Å; T92-R104 HydrophobicContact CG2-CG 4.01Å; R104-P193 VanDerWaalsContact O-CD 3.29Å; R104-P193 WeakPolarHBondContact O-CD 3.36Å
105A95.4Very high88.2Confident6 Ų662.6 Ų62.65%0.0532%0.324CS..EExtended strand (participates in β ladder)trans-146156.3-18000000112.6I91 Y103 F191 V192I91-A105 PolarHBondContact N-O 2.88Å; I91-A105 PolarHBondContact O-N 3.4Å; Y103-A105 HydrophobicContact CD1-CB 4.5Å; Y103-A105 HydrophobicContact CE1-CB 3.57Å; Y103-A105 HydrophobicContact CE2-CB 4.4Å; Y103-A105 WeakPolarHBondContact OH-CB 3.37Å; A105-F191 HydrophobicContact CB-CB 4.29Å; A105-F191 HydrophobicContact CB-CD1 3.98Å; A105-V192 VanDerWaalsContact CA-O 3.32Å; A105-V192 WeakPolarHBondContact CA-O 3.32Å
106V94.2Very high88Confident66 Ų6666.8 Ų66.840%0.434%0.343SS..EExtended strand (participates in β ladder)trans-117.4149.9170-60.90000110A89 E90 F191 V192A89-V106 CarbonylContact O-C 3.54Å; A89-V106 VanDerWaalsContact O-CA 3.23Å; A89-V106 WeakPolarHBondContact O-CA 3.45Å; E90-V106 HydrophobicContact CG-CG1 4.19Å; V106-F191 CarbonylContact O-C 3.54Å; V106-F191 WeakPolarHBondContact O-CA 3.3Å; V106-V192 HydrophobicContact CG2-CB 4.21Å; V106-V192 PolarHBondContact N-O 2.89Å; V106-V192 PolarHBondContact O-N 2.98Å
107V89.7Confident88.2Confident6 Ų665.8 Ų65.84%0.03634%0.335CS..EExtended strand (participates in β ladder)trans-88129.1172.5164.30000110.1A89 W113 C190 F191A89-V107 HydrophobicContact CB-CB 3.89Å; A89-V107 HydrophobicContact CB-CG2 3.66Å; A89-V107 PolarHBondContact O-N 3.23Å; V107-W113 HydrophobicContact CG2-CE3 4.24Å; V107-W113 HydrophobicContact CG2-CZ3 4.31Å; V107-C190 CarbonylContact C-O 3.57Å; V107-C190 VanDerWaalsContact CA-O 3.3Å; V107-C190 WeakPolarHBondContact CA-O 3.5Å; V107-C190 HydrophobicContact CG1-CB 4.01Å; V107-C190 HydrophobicContact CG2-CB 4.35Å; V107-F191 HydrophobicContact CG2-CD1 4.33Å; V107-F191 HydrophobicContact CG2-CE1 4.38Å
108Q81.8Confident88.3Confident61 Ų6160.6 Ų60.629%0.28531%0.312SS..  trans-63.3130.9175.6-69.2-178.786.800110.4D110 I111 K189 C190 V192Q108-D110 PolarHBondContact O-N 3.03Å; Q108-I111 PolarHBondContact O-N 3.17Å; Q108-K189 PolarHBondContact NE2-O 3.09Å; Q108-C190 PolarHBondContact N-O 3.03Å; Q108-V192 HydrophobicContact CG-CB 4.42Å; Q108-V192 HydrophobicContact CG-CG2 3.36Å
109P73.6Confident88.3Confident105 Ų10560.1 Ų60.168%0.68231%0.309SS*.THydrogen-bonded Turntrans-66.4-23.7-176.727.7-35.1000113.3I111P109-I111 VanDerWaalsContact C-N 3.33Å
110D74.6Confident88.4Confident120 Ų12056.5 Ų56.564%0.64228%0.283SS*.THydrogen-bonded Turntrans-78.1-13.9-17633.9-58000113.4Q108Q108-D110 PolarHBondContact O-N 3.03Å
111I72.1Confident88.5Confident39 Ų3953.7 Ų53.720%0.226%0.263CS..SBendtrans-112.6107.4175.3-49.7175.9000110Q108 P109 W113 K189 C190Q108-I111 PolarHBondContact O-N 3.17Å; P109-I111 VanDerWaalsContact C-N 3.33Å; I111-W113 PolarHBondContact O-N 3.15Å; I111-K189 HydrophobicContact CD1-CB 4.42Å; I111-C190 HydrophobicContact CB-CB 4.47Å; I111-C190 WeakPolarHBondContact CG2-SG 3.39Å
112Q73.6Confident88.5Confident99 Ų9948.3 Ų48.346%0.46324%0.239SC..  trans-67.3116.2178.6-67.4-175.1-2.500111.8N85 K114N85-Q112 VanDerWaalsContact OD1-CA 3.32Å; N85-Q112 WeakPolarHBondContact OD1-CA 3.38Å; N85-Q112 VanDerWaalsContact OD1-CB 3.28Å; N85-Q112 WeakPolarHBondContact OD1-CB 3.42Å; Q112-K114 HydrophobicContact CB-CG 4.34Å
113W85.1Confident88.4Confident3 Ų349.5 Ų49.51%0.01125%0.247CC..EExtended strand (participates in β ladder)trans-96.197.8167.5176.36.8000109.1F79 N85 V86 V107 I111 L187 F191 L203 F212F79-W113 HydrophobicContact CE1-CH2 4.26Å; F79-W113 AromaticContact CE1-CZ3 3.9Å; F79-W113 HydrophobicContact CE1-CZ3 3.9Å; N85-W113 PolarHBondContact OD1-N 3.17Å; N85-W113 PolarHBondContact OD1-O 3.23Å; V86-W113 HydrophobicContact CB-CB 4.03Å; V86-W113 HydrophobicContact CB-CD2 4.32Å; V86-W113 HydrophobicContact CB-CE3 4.28Å; V86-W113 HydrophobicContact CB-CG 4.19Å; V86-W113 WeakPolarHBondContact CB-O 3.48Å; V86-W113 HydrophobicContact CG1-CE3 4.07Å; V86-W113 HydrophobicContact CG2-CB 4.47Å; V86-W113 HydrophobicContact CG2-CD2 4.16Å; V86-W113 HydrophobicContact CG2-CE3 4.37Å; V86-W113 HydrophobicContact CG2-CG 4.15Å; V86-W113 PolarHBondContact N-O 2.99Å; V107-W113 HydrophobicContact CG2-CE3 4.24Å; V107-W113 HydrophobicContact CG2-CZ3 4.31Å; I111-W113 PolarHBondContact O-N 3.15Å; W113-L187 HydrophobicContact CB-CD2 3.97Å; W113-L187 HydrophobicContact CD2-CD2 3.88Å; W113-L187 HydrophobicContact CG-CD2 3.46Å; W113-L187 VanDerWaalsContact CG-CD2 3.46Å; W113-L187 HydrophobicContact CZ2-CD1 4.09Å; W113-F191 HydrophobicContact CH2-CZ 4.29Å; W113-F191 HydrophobicContact CZ3-CZ 4.16Å; W113-L203 HydrophobicContact CD2-CD2 4.14Å; W113-L203 HydrophobicContact CE3-CD2 4.41Å; W113-L203 HydrophobicContact CH2-CB 3.75Å; W113-L203 HydrophobicContact CH2-CD2 3.99Å; W113-L203 HydrophobicContact CH2-CG 4.45Å; W113-L203 HydrophobicContact CZ2-CB 3.16Å; W113-L203 HydrophobicContact CZ2-CD2 3.69Å; W113-L203 HydrophobicContact CZ2-CG 4.06Å; W113-L203 HydrophobicContact CZ3-CD2 4.32Å; W113-F212 HydrophobicContact CH2-CE2 4.05Å
114K86.8Confident88.4Confident83 Ų8353 Ų5336%0.36126%0.261SS..EExtended strand (participates in β ladder)trans-88.7140-176.4-59.2-160.4-179.9-169.80112.7D84 Q112 Q116 Q119D84-K114 CarbonylContact O-C 3.53Å; D84-K114 WeakPolarHBondContact O-CA 3.36Å; Q112-K114 HydrophobicContact CB-CG 4.34Å; K114-Q116 PolarHBondContact O-N 2.84Å; K114-Q119 VanDerWaalsContact CD-NE2 3.27Å
115L90.2Very high88.4Confident4 Ų445.8 Ų45.82%0.02123%0.234CC..  trans-83.788.8170.9-61.1177.5000109.1L81 D84 V86 Q117 V118 L203 I205 L210 F239L81-L115 HydrophobicContact CD1-CD1 4.35Å; L81-L115 HydrophobicContact CD2-CD1 4.22Å; D84-L115 WeakPolarHBondContact O-CB 3.47Å; D84-L115 PolarHBondContact O-N 2.98Å; V86-L115 HydrophobicContact CG2-CD2 4.47Å; L115-Q117 PolarHBondContact O-N 2.86Å; L115-Q117 VanDerWaalsContact O-N 3.09Å; L115-V118 HydrophobicContact CB-CG2 3.83Å; L115-V118 HydrophobicContact CD1-CG2 4.38Å; L115-V118 WeakPolarHBondContact O-CB 3.46Å; L115-V118 PolarHBondContact O-N 3.39Å; L115-L203 HydrophobicContact CD2-CD2 3.84Å; L115-L203 HydrophobicContact CD2-CG 4.16Å; L115-I205 HydrophobicContact CD1-CD1 4.41Å; L115-L210 HydrophobicContact CD1-CD1 4.26Å; L115-L210 HydrophobicContact CD2-CD1 4.23Å; L115-F239 HydrophobicContact CD1-CZ 4.14Å
116Q89.5Confident88.4Confident92 Ų9248.7 Ų48.743%0.4325%0.248SC..Hα-helixtrans-53.2-34.7-176.8-170.358.649.600112.9K114 V118 Q119 D120K114-Q116 PolarHBondContact O-N 2.84Å; Q116-V118 PolarHBondContact O-N 3.4Å; Q116-Q119 WeakPolarHBondContact O-CB 3.32Å; Q116-Q119 PolarHBondContact O-N 3.37Å; Q116-D120 PolarHBondContact NE2-OD1 3.41Å; Q116-D120 VanDerWaalsContact O-CG 3.28Å; Q116-D120 PolarHBondContact O-N 3.21Å
117Q93.4Very high88.5Confident21 Ų2148.4 Ų48.410%0.09824%0.244CC..Hα-helixtrans-56.1-36176.9-70.2171.2-86.800113.1L115 L121 V169 F170 I205L115-Q117 PolarHBondContact O-N 2.86Å; L115-Q117 VanDerWaalsContact O-N 3.09Å; Q117-L121 WeakPolarHBondContact O-CB 3.29Å; Q117-L121 PolarHBondContact O-N 3.19Å; Q117-V169 VanDerWaalsContact CA-CG1 3.44Å; Q117-V169 HydrophobicContact CB-CG1 3.61Å; Q117-V169 HydrophobicContact CG-CG1 3.91Å; Q117-V169 PolarHBondContact NE2-O 3.37Å; Q117-V169 WeakPolarHBondContact O-CG1 3.44Å; Q117-F170 WeakPolarHBondContact O-CE1 3.26Å; Q117-I205 HydrophobicContact CB-CD1 4.19Å; Q117-I205 PolarHBondContact NE2-O 2.85Å
118V93.1Very high88.9Confident0 Ų048.1 Ų48.10%024%0.242CC..Hα-helixtrans-68.7-40.8177.8-175.20000111.1P48 D84 L115 Q116 G122 F170 I205 W238 F239P48-V118 HydrophobicContact CG-CG1 3.42Å; P48-V118 VanDerWaalsContact CG-CG1 3.42Å; D84-V118 HydrophobicContact CB-CB 3.84Å; D84-V118 HydrophobicContact CB-CG1 3.91Å; D84-V118 HydrophobicContact CB-CG2 4.41Å; L115-V118 HydrophobicContact CB-CG2 3.83Å; L115-V118 HydrophobicContact CD1-CG2 4.38Å; L115-V118 WeakPolarHBondContact O-CB 3.46Å; L115-V118 PolarHBondContact O-N 3.39Å; Q116-V118 PolarHBondContact O-N 3.4Å; V118-G122 PolarHBondContact O-N 3.19Å; V118-G122 VanDerWaalsContact O-N 3.13Å; V118-F170 HydrophobicContact CG2-CE1 4.37Å; V118-F170 HydrophobicContact CG2-CZ 4.03Å; V118-I205 HydrophobicContact CG2-CD1 3.53Å; V118-W238 HydrophobicContact CG1-CH2 4.01Å; V118-W238 HydrophobicContact CG1-CZ3 4.01Å; V118-W238 HydrophobicContact CG2-CH2 4.02Å; V118-W238 HydrophobicContact CG2-CZ3 4.41Å; V118-F239 HydrophobicContact CG2-CE1 4.23Å
119Q91.4Very high89.6Confident40 Ų4045.9 Ų45.919%0.18723%0.232CC..Hα-helixtrans-67.3-44.1175.7-65.2-176.96.600111.6T49 D84 K114 Q116 G122 N123T49-Q119 HydrophobicContact CG2-CG 4.33Å; D84-Q119 WeakPolarHBondContact OD2-CG 3.26Å; D84-Q119 PolarHBondContact OD2-NE2 3.16Å; K114-Q119 VanDerWaalsContact CD-NE2 3.27Å; Q116-Q119 WeakPolarHBondContact O-CB 3.32Å; Q116-Q119 PolarHBondContact O-N 3.37Å; Q119-G122 CarbonylContact O-C 3.56Å; Q119-G122 WeakPolarHBondContact O-CA 3.12Å; Q119-G122 PolarHBondContact O-N 3.29Å; Q119-G122 VanDerWaalsContact O-N 3.14Å; Q119-N123 PolarHBondContact O-N 3.42Å; Q119-N123 PolarHBondContact O-ND2 3.12Å
120D93.7Very high90.7Very high51 Ų5146.2 Ų46.227%0.27323%0.225SC..Hα-helixtrans-62.2-44.9-179.9-68.7-8.8000111Q116 G122 N123 Y124 V169Q116-D120 PolarHBondContact NE2-OD1 3.41Å; Q116-D120 VanDerWaalsContact O-CG 3.28Å; Q116-D120 PolarHBondContact O-N 3.21Å; D120-G122 VanDerWaalsContact C-N 3.3Å; D120-G122 PolarHBondContact O-N 3.13Å; D120-N123 PolarHBondContact O-N 2.69Å; D120-Y124 HydrophobicContact CB-CE2 4.41Å; D120-Y124 WeakPolarHBondContact O-CD2 3.35Å; D120-Y124 PolarHBondContact O-N 3.47Å; D120-V169 HydrophobicContact CB-CG1 3.9Å; D120-V169 HydrophobicContact CB-CG2 4.11Å
121L95.5Very high91.8Very high0 Ų041.6 Ų41.60%020%0.2CC..Hα-helixtrans-55.9-47.8172.2-177.8152.3000110.7L47 Q117 N123 Y124 V125 A166 F170 L242L47-L121 HydrophobicContact CD2-CD2 3.67Å; Q117-L121 WeakPolarHBondContact O-CB 3.29Å; Q117-L121 PolarHBondContact O-N 3.19Å; L121-N123 VanDerWaalsContact C-N 3.35Å; L121-N123 PolarHBondContact O-N 3.39Å; L121-Y124 PolarHBondContact O-N 2.95Å; L121-V125 HydrophobicContact CD2-CG2 4.05Å; L121-V125 WeakPolarHBondContact O-CG2 3.27Å; L121-V125 PolarHBondContact O-N 3.06Å; L121-A166 WeakPolarHBondContact CD1-O 3.1Å; L121-A166 HydrophobicContact CG-CB 4.25Å; L121-F170 HydrophobicContact CB-CD1 3.99Å; L121-F170 HydrophobicContact CB-CE1 3.68Å; L121-F170 HydrophobicContact CD1-CB 4.48Å; L121-F170 HydrophobicContact CD1-CD1 3.35Å; L121-F170 HydrophobicContact CD1-CD2 4.2Å; L121-F170 HydrophobicContact CD1-CE1 3.44Å; L121-F170 VanDerWaalsContact CD1-CE1 3.44Å; L121-F170 HydrophobicContact CD1-CE2 4.26Å; L121-F170 HydrophobicContact CD1-CG 3.76Å; L121-F170 HydrophobicContact CD1-CZ 3.9Å; L121-F170 HydrophobicContact CG-CD1 4.29Å; L121-F170 HydrophobicContact CG-CE1 4.14Å; L121-L242 HydrophobicContact CD1-CB 4.46Å
122G94.2Very high92.9Very high1 Ų140 Ų401%0.0119%0.191CC..Hα-helixtrans-58.7-44.7177.700000113L47 V118 Q119 D120 Y124 V125 L126L47-G122 VanDerWaalsContact CD1-CA 3.48Å; V118-G122 PolarHBondContact O-N 3.19Å; V118-G122 VanDerWaalsContact O-N 3.13Å; Q119-G122 CarbonylContact O-C 3.56Å; Q119-G122 WeakPolarHBondContact O-CA 3.12Å; Q119-G122 PolarHBondContact O-N 3.29Å; Q119-G122 VanDerWaalsContact O-N 3.14Å; D120-G122 VanDerWaalsContact C-N 3.3Å; D120-G122 PolarHBondContact O-N 3.13Å; G122-Y124 PolarHBondContact O-N 3.28Å; G122-V125 PolarHBondContact O-N 2.86Å; G122-L126 WeakPolarHBondContact O-CG 3.44Å; G122-L126 PolarHBondContact O-N 3.42Å
123N94.6Very high94Very high84 Ų8442 Ų4245%0.44920%0.195SC..Hα-helixtrans-61.1-45.2177.8-68.7-26000111.6Q119 D120 L121 V125 L126 L127Q119-N123 PolarHBondContact O-N 3.42Å; Q119-N123 PolarHBondContact O-ND2 3.12Å; D120-N123 PolarHBondContact O-N 2.69Å; L121-N123 VanDerWaalsContact C-N 3.35Å; L121-N123 PolarHBondContact O-N 3.39Å; N123-V125 PolarHBondContact O-N 2.86Å; N123-L126 PolarHBondContact O-N 2.89Å; N123-L127 WeakPolarHBondContact O-CG 3.33Å; N123-L127 PolarHBondContact O-N 3.49Å
124Y97.5Very high94.4Very high81 Ų8145.6 Ų45.632%0.31821%0.21SC..Hα-helixtrans-64.4-38176.9-72.2-55.1000112.9D120 L121 G122 L127 A128 Y162 A165 V169D120-Y124 HydrophobicContact CB-CE2 4.41Å; D120-Y124 WeakPolarHBondContact O-CD2 3.35Å; D120-Y124 PolarHBondContact O-N 3.47Å; L121-Y124 PolarHBondContact O-N 2.95Å; G122-Y124 PolarHBondContact O-N 3.28Å; Y124-L127 HydrophobicContact CD1-CD1 4.28Å; Y124-L127 PolarHBondContact O-N 3.37Å; Y124-A128 PolarHBondContact O-N 3Å; Y124-Y162 HydrophobicContact CD1-CD1 4.07Å; Y124-A165 HydrophobicContact CD1-CB 3.67Å; Y124-A165 HydrophobicContact CD2-CB 3.93Å; Y124-A165 HydrophobicContact CE1-CB 3.65Å; Y124-A165 HydrophobicContact CE2-CB 3.93Å; Y124-A165 HydrophobicContact CG-CB 3.82Å; Y124-V169 HydrophobicContact CD2-CG2 4.02Å; Y124-V169 HydrophobicContact CE2-CG2 3.65Å
125V96.8Very high94.8Very high0 Ų041.7 Ų41.70%019%0.194CC..Hα-helixtrans-63.4-42.2173.81710000111L40 C43 L121 G122 N123 A128 M129 A166 V246L40-V125 HydrophobicContact CD2-CG1 4.4Å; C43-V125 HydrophobicContact CB-CG1 4.25Å; L121-V125 HydrophobicContact CD2-CG2 4.05Å; L121-V125 WeakPolarHBondContact O-CG2 3.27Å; L121-V125 PolarHBondContact O-N 3.06Å; G122-V125 PolarHBondContact O-N 2.86Å; N123-V125 PolarHBondContact O-N 2.86Å; V125-A128 WeakPolarHBondContact O-CB 3.47Å; V125-A128 PolarHBondContact O-N 2.98Å; V125-M129 WeakPolarHBondContact O-CG 3.43Å; V125-M129 PolarHBondContact O-N 3.16Å; V125-A166 HydrophobicContact CG2-CB 4.19Å; V125-V246 HydrophobicContact CG2-CG2 4.26Å
126L95.1Very high94.9Very high66 Ų6642.6 Ų42.635%0.34620%0.198SC..Hα-helixtrans-63.9-40.7176.5-67.9177.5000112.1G122 N123 M129 E130G122-L126 WeakPolarHBondContact O-CG 3.44Å; G122-L126 PolarHBondContact O-N 3.42Å; N123-L126 PolarHBondContact O-N 2.89Å; L126-M129 HydrophobicContact CD2-CE 3.51Å; L126-M129 WeakPolarHBondContact O-CB 3.43Å; L126-M129 PolarHBondContact O-N 3.33Å; L126-E130 PolarHBondContact O-N 3.27Å
127L96.9Very high95Very high60 Ų6041.3 Ų41.331%0.31419%0.194SC..Hα-helixtrans-63-41.3173.8-70.4169.4000112N123 Y124 M129 E130 M131 Y162N123-L127 WeakPolarHBondContact O-CG 3.33Å; N123-L127 PolarHBondContact O-N 3.49Å; Y124-L127 HydrophobicContact CD1-CD1 4.28Å; Y124-L127 PolarHBondContact O-N 3.37Å; L127-M129 VanDerWaalsContact C-N 3.32Å; L127-M129 PolarHBondContact O-N 3.34Å; L127-E130 PolarHBondContact O-N 2.95Å; L127-M131 PolarHBondContact O-N 3.47Å; L127-Y162 HydrophobicContact CB-CD1 3.93Å; L127-Y162 HydrophobicContact CB-CD2 3.94Å; L127-Y162 HydrophobicContact CB-CE1 3.95Å; L127-Y162 HydrophobicContact CB-CE2 3.95Å; L127-Y162 HydrophobicContact CB-CG 3.93Å; L127-Y162 HydrophobicContact CD1-CD1 4.06Å; L127-Y162 HydrophobicContact CD1-CE1 3.73Å; L127-Y162 HydrophobicContact CG-CE1 4.38Å
128A98.1Very high94.7Very high0 Ų041 Ų410%019%0.194CC..Hα-helixtrans-61.4-4017400000111.9L40 Y124 V125 M131 L132 L163L40-A128 HydrophobicContact CD1-CB 4.11Å; Y124-A128 PolarHBondContact O-N 3Å; V125-A128 WeakPolarHBondContact O-CB 3.47Å; V125-A128 PolarHBondContact O-N 2.98Å; A128-M131 PolarHBondContact O-N 2.79Å; A128-L132 WeakPolarHBondContact O-CB 3.39Å; A128-L132 PolarHBondContact O-N 2.94Å; A128-L163 HydrophobicContact CB-CD2 4.02Å; A128-L163 HydrophobicContact CB-CG 4.28Å
129M96.4Very high94.5Very high15 Ų1541.1 Ų41.17%0.07420%0.195CC..Hα-helixtrans-67.7-35.1174.7-68.7-162.7-37.400113.5L40 C44 F53 V125 L126 L127 M131 L132 R133L40-M129 HydrophobicContact CB-CG 3.84Å; L40-M129 HydrophobicContact CB-SD 4.27Å; L40-M129 HydrophobicContact CD1-CG 3.84Å; L40-M129 HydrophobicContact CG-CG 4.5Å; C44-M129 VanDerWaalsContact SG-SD 3.69Å; F53-M129 HydrophobicContact CD2-CE 4.42Å; F53-M129 HydrophobicContact CD2-SD 4.37Å; F53-M129 HydrophobicContact CE2-CE 3.68Å; F53-M129 HydrophobicContact CE2-SD 3.55Å; F53-M129 VanDerWaalsContact CE2-SD 3.55Å; F53-M129 HydrophobicContact CZ-SD 4.38Å; V125-M129 WeakPolarHBondContact O-CG 3.43Å; V125-M129 PolarHBondContact O-N 3.16Å; L126-M129 HydrophobicContact CD2-CE 3.51Å; L126-M129 WeakPolarHBondContact O-CB 3.43Å; L126-M129 PolarHBondContact O-N 3.33Å; L127-M129 VanDerWaalsContact C-N 3.32Å; L127-M129 PolarHBondContact O-N 3.34Å; M129-M131 VanDerWaalsContact C-N 3.35Å; M129-L132 WeakPolarHBondContact O-CB 3.5Å; M129-L132 PolarHBondContact O-N 2.93Å; M129-R133 PolarHBondContact O-N 3.48Å
130E96.2Very high94.3Very high112 Ų11244.8 Ų44.852%0.52321%0.211SC..Hα-helixtrans-63.1-45175.1-176.5171.3-161.600110.8L126 L127 L132 R133 F134L126-E130 PolarHBondContact O-N 3.27Å; L127-E130 PolarHBondContact O-N 2.95Å; E130-L132 VanDerWaalsContact C-N 3.34Å; E130-L132 PolarHBondContact O-N 2.99Å; E130-R133 WeakPolarHBondContact O-CB 3.49Å; E130-R133 PolarHBondContact O-N 3.31Å; E130-F134 PolarHBondContact O-N 3.47Å
131M97Very high93.7Very high23 Ų2348.6 Ų48.611%0.11323%0.232CC..Hα-helixtrans-62.4-39.5173.5-69.9-50.2-57.200112.6L127 A128 M129 F134 G135 W154 V155 I159 Y162L127-M131 PolarHBondContact O-N 3.47Å; A128-M131 PolarHBondContact O-N 2.79Å; M129-M131 VanDerWaalsContact C-N 3.35Å; M131-F134 HydrophobicContact CE-CD1 4.29Å; M131-F134 PolarHBondContact O-N 3.36Å; M131-G135 PolarHBondContact O-N 3.47Å; M131-W154 HydrophobicContact CE-CE3 4.04Å; M131-W154 HydrophobicContact CE-CH2 3.56Å; M131-W154 HydrophobicContact CE-CZ2 4.45Å; M131-W154 HydrophobicContact CE-CZ3 3.32Å; M131-W154 HydrophobicContact SD-CH2 4.44Å; M131-V155 HydrophobicContact CE-CG1 4.46Å; M131-V155 HydrophobicContact CE-CG2 4.23Å; M131-V155 WeakPolarHBondContact O-CG1 3.38Å; M131-I159 HydrophobicContact CB-CD1 4.38Å; M131-I159 HydrophobicContact CB-CG1 3.57Å; M131-Y162 HydrophobicContact CG-CD2 4.02Å; M131-Y162 HydrophobicContact CG-CE2 3.63Å
132L96.9Very high92.8Very high5 Ų550 Ų503%0.02624%0.241CC..Hα-helixtrans-58.8-48.7173.5-174.8161.1000111L33 L36 E37 L40 A128 M129 E130 F134 G135 M136 I159L33-L132 HydrophobicContact CD2-CG 4.07Å; L36-L132 HydrophobicContact CB-CD1 3.98Å; L36-L132 HydrophobicContact CD2-CD1 3.87Å; L36-L132 HydrophobicContact CG-CD1 3.8Å; E37-L132 HydrophobicContact CB-CD1 3.86Å; E37-L132 HydrophobicContact CB-CD2 4Å; E37-L132 HydrophobicContact CG-CD2 4.33Å; L40-L132 HydrophobicContact CD1-CD1 4.27Å; A128-L132 WeakPolarHBondContact O-CB 3.39Å; A128-L132 PolarHBondContact O-N 2.94Å; M129-L132 WeakPolarHBondContact O-CB 3.5Å; M129-L132 PolarHBondContact O-N 2.93Å; E130-L132 VanDerWaalsContact C-N 3.34Å; E130-L132 PolarHBondContact O-N 2.99Å; L132-F134 VanDerWaalsContact C-N 3.31Å; L132-F134 PolarHBondContact O-N 3.44Å; L132-G135 WeakPolarHBondContact O-CA 3.41Å; L132-G135 PolarHBondContact O-N 3.28Å; L132-G135 VanDerWaalsContact O-N 3.12Å; L132-M136 HydrophobicContact CD2-CG 3.9Å; L132-M136 WeakPolarHBondContact O-CG 3.36Å; L132-M136 PolarHBondContact O-N 3.31Å; L132-I159 HydrophobicContact CB-CD1 4.19Å
133R95.2Very high91.8Very high142 Ų14256.9 Ų56.954%0.53627%0.271SS..Hα-helixtrans-59.9-43177.7-171.8-176.672.2106.6-1.6111.2M129 E130 G135 M136 L137M129-R133 PolarHBondContact O-N 3.48Å; E130-R133 WeakPolarHBondContact O-CB 3.49Å; E130-R133 PolarHBondContact O-N 3.31Å; R133-G135 VanDerWaalsContact C-N 3.34Å; R133-G135 PolarHBondContact O-N 2.99Å; R133-M136 PolarHBondContact O-N 2.97Å; R133-L137 HydrophobicContact CG-CD1 4.34Å; R133-L137 WeakPolarHBondContact O-CG 3.05Å; R133-L137 PolarHBondContact O-N 3.24Å
134F94.3Very high90.4Very high77 Ų7756.4 Ų56.434%0.33827%0.268SS..Hα-helixtrans-61.3-41174.6176.6-95.7000112.4E130 M131 L132 L137 T138 W154 V155E130-F134 PolarHBondContact O-N 3.47Å; M131-F134 HydrophobicContact CE-CD1 4.29Å; M131-F134 PolarHBondContact O-N 3.36Å; L132-F134 VanDerWaalsContact C-N 3.31Å; L132-F134 PolarHBondContact O-N 3.44Å; F134-L137 PolarHBondContact O-N 3.23Å; F134-T138 WeakPolarHBondContact O-CB 3.39Å; F134-T138 PolarHBondContact O-N 2.83Å; F134-T138 PolarHBondContact O-OG1 2.96Å; F134-W154 HydrophobicContact CD1-CZ3 4.35Å; F134-W154 HydrophobicContact CE1-CE3 4.44Å; F134-W154 AromaticContact CE1-CZ3 3.86Å; F134-W154 HydrophobicContact CE1-CZ3 3.86Å; F134-V155 HydrophobicContact CD1-CG2 3.52Å; F134-V155 HydrophobicContact CE1-CG2 3.65Å
135G94Very high88.7Confident2 Ų257 Ų572%0.02128%0.277CS..Hα-helixtrans-61.1-46.5173.400000112.8M131 L132 R133 L137 T138 L139M131-G135 PolarHBondContact O-N 3.47Å; L132-G135 WeakPolarHBondContact O-CA 3.41Å; L132-G135 PolarHBondContact O-N 3.28Å; L132-G135 VanDerWaalsContact O-N 3.12Å; R133-G135 VanDerWaalsContact C-N 3.34Å; R133-G135 PolarHBondContact O-N 2.99Å; G135-L137 PolarHBondContact O-N 2.95Å; G135-T138 WeakPolarHBondContact O-CB 3.49Å; G135-T138 PolarHBondContact O-N 3.43Å; G135-L139 WeakPolarHBondContact O-CG 3.31Å; G135-L139 PolarHBondContact O-N 3.2Å
136M93.3Very high87.5Confident22 Ų2262.5 Ų62.511%0.10830%0.303CS..Hα-helixtrans-60.6-45.6176.8-73.4-66.6-73.600112L30 L33 R34 L132 R133 L139 Q140L30-M136 HydrophobicContact CD2-CE 4.15Å; L30-M136 HydrophobicContact CD2-SD 3.97Å; L33-M136 HydrophobicContact CB-CG 4.05Å; L33-M136 HydrophobicContact CB-SD 3.48Å; L33-M136 WeakPolarHBondContact CB-SD 3.38Å; L33-M136 HydrophobicContact CD1-CG 4.03Å; L33-M136 HydrophobicContact CD1-SD 3.74Å; L33-M136 HydrophobicContact CG-SD 4.28Å; R34-M136 HydrophobicContact CG-CE 4.13Å; L132-M136 HydrophobicContact CD2-CG 3.9Å; L132-M136 WeakPolarHBondContact O-CG 3.36Å; L132-M136 PolarHBondContact O-N 3.31Å; R133-M136 PolarHBondContact O-N 2.97Å; M136-L139 PolarHBondContact O-N 2.91Å; M136-Q140 WeakPolarHBondContact O-CG 3.42Å; M136-Q140 PolarHBondContact O-N 2.93Å
137L91.3Very high86.5Confident65 Ų6560 Ų6034%0.3429%0.29SS..Hα-helixtrans-63.8-40.5176.4-72.2170.7000111.9R133 F134 G135 L139 Q140 N141R133-L137 HydrophobicContact CG-CD1 4.34Å; R133-L137 WeakPolarHBondContact O-CG 3.05Å; R133-L137 PolarHBondContact O-N 3.24Å; F134-L137 PolarHBondContact O-N 3.23Å; G135-L137 PolarHBondContact O-N 2.95Å; L137-L139 VanDerWaalsContact C-N 3.33Å; L137-L139 PolarHBondContact O-N 3.24Å; L137-Q140 PolarHBondContact O-N 2.87Å; L137-N141 WeakPolarHBondContact O-CB 3.3Å; L137-N141 PolarHBondContact O-N 3.1Å; L137-N141 PolarHBondContact O-ND2 2.91Å
138T87.9Confident85.8Confident16 Ų1659.4 Ų59.410%0.09829%0.29CS..Hα-helixtrans-59.1-46.8174.7-620000110.4F134 G135 Q140 N141 C142 K151F134-T138 WeakPolarHBondContact O-CB 3.39Å; F134-T138 PolarHBondContact O-N 2.83Å; F134-T138 PolarHBondContact O-OG1 2.96Å; G135-T138 WeakPolarHBondContact O-CB 3.49Å; G135-T138 PolarHBondContact O-N 3.43Å; T138-Q140 VanDerWaalsContact C-N 3.32Å; T138-Q140 PolarHBondContact O-N 3.17Å; T138-N141 PolarHBondContact O-N 3.02Å; T138-C142 WeakPolarHBondContact O-CB 3.42Å; T138-C142 PolarHBondContact O-N 2.75Å; T138-C142 VanDerWaalsContact O-N 3.13Å; T138-C142 PolarHBondContact O-SG 2.99Å; T138-K151 HydrophobicContact CG2-CD 3.8Å; T138-K151 HydrophobicContact CG2-CG 4.34Å; T138-K151 WeakPolarHBondContact OG1-CE 3.49Å
139L89.1Confident85Confident2 Ų260.4 Ų60.41%0.0130%0.297CS..Hα-helixtrans-68.6-26.2177.1-68171.5000113.5R26 L30 L33 G135 M136 L137 L147R26-L139 HydrophobicContact CG-CD2 4.26Å; R26-L139 PolarHBondContact NE-O 3.28Å; R26-L139 PolarHBondContact NH2-O 3.47Å; L30-L139 HydrophobicContact CD2-CB 3.98Å; L30-L139 HydrophobicContact CD2-CD1 3.84Å; L30-L139 HydrophobicContact CG-CD1 4.04Å; L33-L139 HydrophobicContact CD1-CD1 3.43Å; L33-L139 VanDerWaalsContact CD1-CD1 3.43Å; G135-L139 WeakPolarHBondContact O-CG 3.31Å; G135-L139 PolarHBondContact O-N 3.2Å; M136-L139 PolarHBondContact O-N 2.91Å; L137-L139 VanDerWaalsContact C-N 3.33Å; L137-L139 PolarHBondContact O-N 3.24Å; L139-L147 HydrophobicContact CD2-CD1 3.62Å; L139-L147 HydrophobicContact CD2-CD2 4.15Å
140Q85.3Confident84.4Confident116 Ų11663.7 Ų63.754%0.54231%0.312SS..Hα-helixtrans-76.5-39.2177-76.9172.2-11.200111.8R26 M136 L137 T138R26-Q140 PolarHBondContact NH2-O 3.22Å; M136-Q140 WeakPolarHBondContact O-CG 3.42Å; M136-Q140 PolarHBondContact O-N 2.93Å; L137-Q140 PolarHBondContact O-N 2.87Å; T138-Q140 VanDerWaalsContact C-N 3.32Å; T138-Q140 PolarHBondContact O-N 3.17Å
141N82.5Confident84Confident132 Ų13262 Ų6271%0.70630%0.302SS*.Hα-helixtrans-86.8-19.9-173.7-66.3-19.1000114L137 T138L137-N141 WeakPolarHBondContact O-CB 3.3Å; L137-N141 PolarHBondContact O-N 3.1Å; L137-N141 PolarHBondContact O-ND2 2.91Å; T138-N141 PolarHBondContact O-N 3.02Å
142C76.5Confident83.6Confident28 Ų2861.1 Ų61.119%0.18930%0.298CS..SBendtrans-72.7138.1175.1-74.10000111.3R26 T138R26-C142 VanDerWaalsContact CZ-O 3.26Å; R26-C142 PolarHBondContact NH1-O 3.32Å; R26-C142 PolarHBondContact NH2-O 3.39Å; T138-C142 WeakPolarHBondContact O-CB 3.42Å; T138-C142 PolarHBondContact O-N 2.75Å; T138-C142 VanDerWaalsContact O-N 3.13Å; T138-C142 PolarHBondContact O-SG 2.99Å
143K72.1Confident83.2Confident146 Ų14663.6 Ų63.664%0.63531%0.309SS*.  trans-71.3156157.9-65.3177.7-175.9169.70109N145 E146K143-N145 PolarHBondContact O-N 3.31Å; K143-N145 VanDerWaalsContact O-N 3.1Å; K143-E146 HydrophobicContact CB-CG 4.33Å; K143-E146 PolarHBondContact O-N 3.22Å
144D65.3Low83Confident74 Ų7461.4 Ų61.440%0.39630%0.301SS..G310 helixtrans-55.6-34.7-173.9-70.4-28.4000112.9C22 R26 E146C22-D144 WeakPolarHBondContact CB-O 3.42Å; R26-D144 WeakPolarHBondContact CD-OD1 3.42Å; R26-D144 IonicContact CZ-OD1 3.56Å; R26-D144 IonicContact NE-OD1 3.86Å; R26-D144 IonicContact NH1-OD1 2.69Å; R26-D144 PolarHBondContact NH1-OD1 3.47Å; D144-E146 VanDerWaalsContact C-N 3.31Å; D144-E146 PolarHBondContact O-N 3.1Å
145N63.3Low83.1Confident93 Ų9357.8 Ų57.850%0.49729%0.285SS..G310 helixtrans-83.9-2.2-178.7-62.44.1000114.3N19 K143N19-N145 VanDerWaalsContact CG-OD1 3.31Å; N19-N145 PolarHBondContact OD1-ND2 2.94Å; N19-N145 PolarHBondContact OD1-OD1 3.22Å; K143-N145 PolarHBondContact O-N 3.31Å; K143-N145 VanDerWaalsContact O-N 3.1Å
146E71.1Confident83.1Confident116 Ų11657.8 Ų57.854%0.54229%0.285SS..G310 helixtrans-112.66-174.1-66.5173.2-176.200112.7K143 D144 S148K143-E146 HydrophobicContact CB-CG 4.33Å; K143-E146 PolarHBondContact O-N 3.22Å; D144-E146 VanDerWaalsContact C-N 3.31Å; D144-E146 PolarHBondContact O-N 3.1Å; E146-S148 PolarHBondContact O-N 3Å
147L74.6Confident83.2Confident15 Ų1560.5 Ų60.58%0.07930%0.296CS..  trans-66.1103.8178.5-179.259.5000110.2L25 R26 L139 V149L25-L147 HydrophobicContact CB-CD2 4.41Å; L25-L147 HydrophobicContact CD2-CD2 3.99Å; L25-L147 HydrophobicContact CG-CD2 4.04Å; R26-L147 HydrophobicContact CB-CD2 4.26Å; L139-L147 HydrophobicContact CD2-CD1 3.62Å; L139-L147 HydrophobicContact CD2-CD2 4.15Å; L147-V149 PolarHBondContact O-N 3.41Å; L147-V149 VanDerWaalsContact O-N 3.1Å
148S80.6Confident83.5Confident46 Ų4658.4 Ų58.432%0.32229%0.287SS..  trans-69.1109.6168.61710000109.5E146 E150 K151 L152E146-S148 PolarHBondContact O-N 3Å; S148-E150 PolarHBondContact O-N 2.93Å; S148-E150 PolarHBondContact OG-N 3.2Å; S148-E150 PolarHBondContact OG-OE2 3.1Å; S148-K151 PolarHBondContact O-N 2.86Å; S148-K151 PolarHBondContact OG-N 3.28Å; S148-K151 VanDerWaalsContact OG-N 3.13Å; S148-L152 PolarHBondContact O-N 3.46Å
149V82.2Confident84Confident22 Ų2257.6 Ų57.613%0.13328%0.282CS..Hα-helixtrans-59.8-40.2173.9175.30000110.2L25 L147 K151 L152 F153 F264L25-V149 HydrophobicContact CD2-CG2 3.93Å; L147-V149 PolarHBondContact O-N 3.41Å; L147-V149 VanDerWaalsContact O-N 3.1Å; V149-K151 VanDerWaalsContact C-N 3.31Å; V149-K151 PolarHBondContact O-N 3.36Å; V149-L152 PolarHBondContact O-N 2.87Å; V149-F153 VanDerWaalsContact O-CB 3.28Å; V149-F153 WeakPolarHBondContact O-CB 3.48Å; V149-F153 PolarHBondContact O-N 2.8Å; V149-F264 HydrophobicContact CB-CE1 4.03Å; V149-F264 HydrophobicContact CB-CE2 4.32Å; V149-F264 HydrophobicContact CB-CZ 3.73Å; V149-F264 HydrophobicContact CG1-CD1 4.16Å; V149-F264 HydrophobicContact CG1-CD2 3.87Å; V149-F264 HydrophobicContact CG1-CE1 3.55Å; V149-F264 HydrophobicContact CG1-CE2 3.24Å; V149-F264 HydrophobicContact CG1-CG 4.34Å; V149-F264 HydrophobicContact CG1-CZ 3.1Å; V149-F264 HydrophobicContact CG2-CE1 3.57Å; V149-F264 HydrophobicContact CG2-CE2 4.18Å; V149-F264 HydrophobicContact CG2-CZ 3.22Å
150E83.7Confident84.4Confident84 Ų8460 Ų6039%0.39329%0.291SS..Hα-helixtrans-59.9-44.8179.1-59.772.1-155.500110.3S148 F153 W154S148-E150 PolarHBondContact O-N 2.93Å; S148-E150 PolarHBondContact OG-N 3.2Å; S148-E150 PolarHBondContact OG-OE2 3.1Å; E150-F153 PolarHBondContact O-N 3.16Å; E150-W154 WeakPolarHBondContact O-CB 3.35Å; E150-W154 PolarHBondContact O-N 2.84Å
151K87.3Confident85Confident75 Ų7558.4 Ų58.433%0.32629%0.286SS..Hα-helixtrans-65.2-45.9177.1-172.8172.6179.5-179.40111.6T138 S148 V149 F153 W154 V155T138-K151 HydrophobicContact CG2-CD 3.8Å; T138-K151 HydrophobicContact CG2-CG 4.34Å; T138-K151 WeakPolarHBondContact OG1-CE 3.49Å; S148-K151 PolarHBondContact O-N 2.86Å; S148-K151 PolarHBondContact OG-N 3.28Å; S148-K151 VanDerWaalsContact OG-N 3.13Å; V149-K151 VanDerWaalsContact C-N 3.31Å; V149-K151 PolarHBondContact O-N 3.36Å; K151-F153 VanDerWaalsContact C-N 3.32Å; K151-F153 PolarHBondContact O-N 3.4Å; K151-W154 PolarHBondContact O-N 3.31Å; K151-V155 WeakPolarHBondContact O-CG2 3.43Å; K151-V155 PolarHBondContact O-N 2.97Å
152L88.6Confident85.8Confident6 Ų655.6 Ų55.63%0.03127%0.266CS..Hα-helixtrans-58.4-46.1176175.464.7000111.1L25 S29 S148 V149 W154 V155 T156 F256L25-L152 HydrophobicContact CD1-CD2 3.98Å; L25-L152 HydrophobicContact CD2-CD2 4.07Å; L25-L152 HydrophobicContact CG-CD2 3.93Å; S29-L152 WeakPolarHBondContact OG-CD2 3.49Å; S148-L152 PolarHBondContact O-N 3.46Å; V149-L152 PolarHBondContact O-N 2.87Å; L152-W154 VanDerWaalsContact C-N 3.34Å; L152-W154 PolarHBondContact O-N 3.35Å; L152-V155 PolarHBondContact O-N 3.41Å; L152-T156 PolarHBondContact O-N 3.13Å; L152-T156 PolarHBondContact O-OG1 2.98Å; L152-F256 HydrophobicContact CD1-CE1 4.49Å; L152-F256 HydrophobicContact CD2-CZ 4.21Å
153F89.3Confident86.9Confident56 Ų5654.2 Ų54.225%0.24626%0.257CS..Hα-helixtrans-65.1-38.5179.6-163.6-117.7000112.2V149 E150 K151 T156 K157 I257V149-F153 VanDerWaalsContact O-CB 3.28Å; V149-F153 WeakPolarHBondContact O-CB 3.48Å; V149-F153 PolarHBondContact O-N 2.8Å; E150-F153 PolarHBondContact O-N 3.16Å; K151-F153 VanDerWaalsContact C-N 3.32Å; K151-F153 PolarHBondContact O-N 3.4Å; F153-T156 PolarHBondContact O-N 3.18Å; F153-K157 HydrophobicContact CD1-CD 3.89Å; F153-K157 HydrophobicContact CE1-CD 3.81Å; F153-K157 HydrophobicContact CZ-CD 4.41Å; F153-K157 WeakPolarHBondContact O-CB 3.3Å; F153-K157 WeakPolarHBondContact O-CG 3.35Å; F153-K157 PolarHBondContact O-N 2.82Å; F153-I257 HydrophobicContact CE2-CG2 3.98Å; F153-I257 HydrophobicContact CZ-CG2 4.42Å
154W91.8Very high88.1Confident96 Ų9650.1 Ų50.136%0.36424%0.239SC..Hα-helixtrans-60.7-49.6172.7178.482.9000111.1M131 F134 E150 K151 L152 T156 K157 S158M131-W154 HydrophobicContact CE-CE3 4.04Å; M131-W154 HydrophobicContact CE-CH2 3.56Å; M131-W154 HydrophobicContact CE-CZ2 4.45Å; M131-W154 HydrophobicContact CE-CZ3 3.32Å; M131-W154 HydrophobicContact SD-CH2 4.44Å; F134-W154 HydrophobicContact CD1-CZ3 4.35Å; F134-W154 HydrophobicContact CE1-CE3 4.44Å; F134-W154 AromaticContact CE1-CZ3 3.86Å; F134-W154 HydrophobicContact CE1-CZ3 3.86Å; E150-W154 WeakPolarHBondContact O-CB 3.35Å; E150-W154 PolarHBondContact O-N 2.84Å; K151-W154 PolarHBondContact O-N 3.31Å; L152-W154 VanDerWaalsContact C-N 3.34Å; L152-W154 PolarHBondContact O-N 3.35Å; W154-T156 PolarHBondContact O-N 2.87Å; W154-K157 PolarHBondContact O-N 3.07Å; W154-S158 PolarHBondContact O-N 3.22Å; W154-S158 PolarHBondContact O-OG 3.26Å; W154-S158 VanDerWaalsContact O-OG 3.08Å
155V94.7Very high89.6Confident2 Ų247.8 Ų47.81%0.01223%0.23CC..Hα-helixtrans-56.7-49.6176.6172.40000111.4M131 F134 K151 L152 K157 S158 I159M131-V155 HydrophobicContact CE-CG1 4.46Å; M131-V155 HydrophobicContact CE-CG2 4.23Å; M131-V155 WeakPolarHBondContact O-CG1 3.38Å; F134-V155 HydrophobicContact CD1-CG2 3.52Å; F134-V155 HydrophobicContact CE1-CG2 3.65Å; K151-V155 WeakPolarHBondContact O-CG2 3.43Å; K151-V155 PolarHBondContact O-N 2.97Å; L152-V155 PolarHBondContact O-N 3.41Å; V155-K157 VanDerWaalsContact C-N 3.33Å; V155-K157 PolarHBondContact O-N 2.99Å; V155-S158 PolarHBondContact O-N 3.45Å; V155-I159 HydrophobicContact CG1-CD1 3.86Å; V155-I159 HydrophobicContact CG1-CG1 4.45Å; V155-I159 VanDerWaalsContact O-CG1 3.3Å; V155-I159 WeakPolarHBondContact O-CG1 3.35Å; V155-I159 PolarHBondContact O-N 3.14Å
156T95.3Very high91.3Very high1 Ų143.4 Ų43.41%0.00621%0.207CC..Hα-helixtrans-61.7-40.7179.9-58.20000112.1Y32 L152 F153 W154 R160 T253 F256 I257Y32-T156 HydrophobicContact CE1-CG2 4.28Å; L152-T156 PolarHBondContact O-N 3.13Å; L152-T156 PolarHBondContact O-OG1 2.98Å; F153-T156 PolarHBondContact O-N 3.18Å; W154-T156 PolarHBondContact O-N 2.87Å; T156-R160 WeakPolarHBondContact O-CB 3.41Å; T156-R160 PolarHBondContact O-N 2.94Å; T156-T253 HydrophobicContact CG2-CG2 3.83Å; T156-F256 HydrophobicContact CG2-CD1 3.69Å; T156-F256 HydrophobicContact CG2-CE1 4.17Å; T156-F256 WeakPolarHBondContact OG1-CE1 3.32Å; T156-I257 HydrophobicContact CG2-CD1 3.89Å; T156-I257 HydrophobicContact CG2-CG1 3.41Å; T156-I257 VanDerWaalsContact CG2-CG1 3.41Å
157K95.2Very high92.5Very high79 Ų7940.7 Ų40.734%0.34319%0.191SC..Hα-helixtrans-65.5-45175.3-80.3-179.8163.4-179.10111.9F153 W154 V155 I159 R160 D161F153-K157 HydrophobicContact CD1-CD 3.89Å; F153-K157 HydrophobicContact CE1-CD 3.81Å; F153-K157 HydrophobicContact CZ-CD 4.41Å; F153-K157 WeakPolarHBondContact O-CB 3.3Å; F153-K157 WeakPolarHBondContact O-CG 3.35Å; F153-K157 PolarHBondContact O-N 2.82Å; W154-K157 PolarHBondContact O-N 3.07Å; V155-K157 VanDerWaalsContact C-N 3.33Å; V155-K157 PolarHBondContact O-N 2.99Å; K157-I159 VanDerWaalsContact C-N 3.33Å; K157-I159 PolarHBondContact O-N 3.32Å; K157-R160 WeakPolarHBondContact O-CB 3.42Å; K157-R160 PolarHBondContact O-N 2.95Å; K157-R160 VanDerWaalsContact O-N 3.13Å; K157-D161 WeakPolarHBondContact O-CB 3.47Å; K157-D161 PolarHBondContact O-N 2.83Å
158S97.3Very high93.6Very high21 Ų2142.3 Ų42.315%0.14720%0.2CC..Hα-helixtrans-59.4-44.3176.4-60.60000111.9W154 V155 R160 D161 Y162W154-S158 PolarHBondContact O-N 3.22Å; W154-S158 PolarHBondContact O-OG 3.26Å; W154-S158 VanDerWaalsContact O-OG 3.08Å; V155-S158 PolarHBondContact O-N 3.45Å; S158-R160 PolarHBondContact O-N 3.48Å; S158-D161 PolarHBondContact O-N 3.34Å; S158-Y162 WeakPolarHBondContact O-CD2 3.24Å; S158-Y162 PolarHBondContact O-N 2.74Å
159I98.4Very high94.3Very high0 Ų041.4 Ų41.40%019%0.193CC..Hα-helixtrans-55.4-52.3172.8-71.7169.5000110.1L33 L36 M131 L132 V155 K157 D161 Y162 L163L33-I159 HydrophobicContact CD2-CD1 4.08Å; L36-I159 HydrophobicContact CD2-CD1 4.26Å; L36-I159 HydrophobicContact CD2-CG2 3.51Å; M131-I159 HydrophobicContact CB-CD1 4.38Å; M131-I159 HydrophobicContact CB-CG1 3.57Å; L132-I159 HydrophobicContact CB-CD1 4.19Å; V155-I159 HydrophobicContact CG1-CD1 3.86Å; V155-I159 HydrophobicContact CG1-CG1 4.45Å; V155-I159 VanDerWaalsContact O-CG1 3.3Å; V155-I159 WeakPolarHBondContact O-CG1 3.35Å; V155-I159 PolarHBondContact O-N 3.14Å; K157-I159 VanDerWaalsContact C-N 3.33Å; K157-I159 PolarHBondContact O-N 3.32Å; I159-D161 VanDerWaalsContact C-N 3.31Å; I159-D161 PolarHBondContact O-N 2.96Å; I159-Y162 PolarHBondContact O-N 3.21Å; I159-L163 HydrophobicContact CG2-CD1 3.84Å; I159-L163 HydrophobicContact CG2-CG 4.35Å; I159-L163 VanDerWaalsContact O-CG 3.29Å; I159-L163 WeakPolarHBondContact O-CG 3.21Å; I159-L163 PolarHBondContact O-N 2.95Å
160R97.9Very high94.8Very high51 Ų5140.4 Ų40.419%0.19219%0.187CC..Hα-helixtrans-57.4-45.1-179.2-171.3-166.361.9-172.5-4.6112T156 K157 S158 Y162 L163 F164 T253 I257T156-R160 WeakPolarHBondContact O-CB 3.41Å; T156-R160 PolarHBondContact O-N 2.94Å; K157-R160 WeakPolarHBondContact O-CB 3.42Å; K157-R160 PolarHBondContact O-N 2.95Å; K157-R160 VanDerWaalsContact O-N 3.13Å; S158-R160 PolarHBondContact O-N 3.48Å; R160-Y162 VanDerWaalsContact C-N 3.34Å; R160-Y162 PolarHBondContact O-N 3.47Å; R160-L163 PolarHBondContact O-N 3.49Å; R160-F164 HydrophobicContact CG-CD2 3.73Å; R160-F164 HydrophobicContact CG-CE2 3.49Å; R160-F164 VanDerWaalsContact CG-CE2 3.49Å; R160-F164 VanDerWaalsContact O-CD2 3.3Å; R160-F164 WeakPolarHBondContact O-CD2 3.5Å; R160-F164 PolarHBondContact O-N 3.46Å; R160-T253 HydrophobicContact CB-CG2 3.64Å; R160-T253 HydrophobicContact CG-CG2 4.11Å; R160-I257 HydrophobicContact CB-CD1 4.49Å
161D98.3Very high95.3Very high83 Ų8338.3 Ų38.344%0.44418%0.179SC..Hα-helixtrans-66.7-38-176.5-60.9-13.1000110.4K157 S158 I159 F164 A165K157-D161 WeakPolarHBondContact O-CB 3.47Å; K157-D161 PolarHBondContact O-N 2.83Å; S158-D161 PolarHBondContact O-N 3.34Å; I159-D161 VanDerWaalsContact C-N 3.31Å; I159-D161 PolarHBondContact O-N 2.96Å; D161-F164 PolarHBondContact O-N 3.02Å; D161-A165 WeakPolarHBondContact O-CB 3.24Å; D161-A165 PolarHBondContact O-N 2.88Å
162Y98.6Very high95.4Very high73 Ų7341.3 Ų41.329%0.28619%0.19SC..Hα-helixtrans-65.6-39.7170.2-69.8-48.7000113.2Y124 L127 M131 S158 I159 R160 A165 A166Y124-Y162 HydrophobicContact CD1-CD1 4.07Å; L127-Y162 HydrophobicContact CB-CD1 3.93Å; L127-Y162 HydrophobicContact CB-CD2 3.94Å; L127-Y162 HydrophobicContact CB-CE1 3.95Å; L127-Y162 HydrophobicContact CB-CE2 3.95Å; L127-Y162 HydrophobicContact CB-CG 3.93Å; L127-Y162 HydrophobicContact CD1-CD1 4.06Å; L127-Y162 HydrophobicContact CD1-CE1 3.73Å; L127-Y162 HydrophobicContact CG-CE1 4.38Å; M131-Y162 HydrophobicContact CG-CD2 4.02Å; M131-Y162 HydrophobicContact CG-CE2 3.63Å; S158-Y162 WeakPolarHBondContact O-CD2 3.24Å; S158-Y162 PolarHBondContact O-N 2.74Å; I159-Y162 PolarHBondContact O-N 3.21Å; R160-Y162 VanDerWaalsContact C-N 3.34Å; R160-Y162 PolarHBondContact O-N 3.47Å; Y162-A165 PolarHBondContact O-N 3.32Å; Y162-A166 WeakPolarHBondContact O-CB 3.35Å; Y162-A166 PolarHBondContact O-N 3.47Å
163L98.6Very high95.3Very high0 Ų043.6 Ų43.60%021%0.209CC..Hα-helixtrans-66.5-38176.8-65172.1000112.1L36 L40 A128 I159 R160 A166 R167 V246 A249 I250L36-L163 HydrophobicContact CD1-CD1 4.32Å; L40-L163 HydrophobicContact CD2-CD2 3.63Å; A128-L163 HydrophobicContact CB-CD2 4.02Å; A128-L163 HydrophobicContact CB-CG 4.28Å; I159-L163 HydrophobicContact CG2-CD1 3.84Å; I159-L163 HydrophobicContact CG2-CG 4.35Å; I159-L163 VanDerWaalsContact O-CG 3.29Å; I159-L163 WeakPolarHBondContact O-CG 3.21Å; I159-L163 PolarHBondContact O-N 2.95Å; R160-L163 PolarHBondContact O-N 3.49Å; L163-A166 WeakPolarHBondContact O-CB 3.23Å; L163-A166 PolarHBondContact O-N 3.33Å; L163-R167 PolarHBondContact O-N 2.99Å; L163-V246 VanDerWaalsContact O-CG1 3.3Å; L163-V246 WeakPolarHBondContact O-CG1 3.14Å; L163-A249 HydrophobicContact CD1-CB 3.79Å; L163-A249 HydrophobicContact CD2-CB 4.03Å; L163-I250 HydrophobicContact CB-CD1 4.32Å; L163-I250 HydrophobicContact CB-CG1 3.57Å; L163-I250 HydrophobicContact CD1-CG1 4.47Å
164F98.2Very high95Very high59 Ų5944 Ų4426%0.25922%0.218SC..Hα-helixtrans-62.2-47.6171.3-82.5-58.1000111.3R160 D161 A166 R167 D168 I250R160-F164 HydrophobicContact CG-CD2 3.73Å; R160-F164 HydrophobicContact CG-CE2 3.49Å; R160-F164 VanDerWaalsContact CG-CE2 3.49Å; R160-F164 VanDerWaalsContact O-CD2 3.3Å; R160-F164 WeakPolarHBondContact O-CD2 3.5Å; R160-F164 PolarHBondContact O-N 3.46Å; D161-F164 PolarHBondContact O-N 3.02Å; F164-A166 VanDerWaalsContact C-N 3.3Å; F164-A166 PolarHBondContact O-N 3.32Å; F164-R167 VanDerWaalsContact CD1-NH2 3.34Å; F164-R167 PolarHBondContact O-N 3.31Å; F164-D168 VanDerWaalsContact O-CB 3.23Å; F164-D168 WeakPolarHBondContact O-CB 3.42Å; F164-D168 PolarHBondContact O-N 3.48Å; F164-I250 HydrophobicContact CD1-CD1 3.89Å; F164-I250 HydrophobicContact CD1-CG2 4.42Å; F164-I250 HydrophobicContact CE1-CD1 4.15Å; F164-I250 HydrophobicContact CE1-CG2 3.73Å; F164-I250 HydrophobicContact CE2-CG2 4.29Å; F164-I250 HydrophobicContact CG-CD1 4.47Å; F164-I250 HydrophobicContact CZ-CG2 3.65Å
165A97.8Very high94.2Very high26 Ų2649 Ų4922%0.21524%0.242CC..Hα-helixtrans-57.3-43.7175.600000111.9Y124 D161 Y162 R167 D168 V169Y124-A165 HydrophobicContact CD1-CB 3.67Å; Y124-A165 HydrophobicContact CD2-CB 3.93Å; Y124-A165 HydrophobicContact CE1-CB 3.65Å; Y124-A165 HydrophobicContact CE2-CB 3.93Å; Y124-A165 HydrophobicContact CG-CB 3.82Å; D161-A165 WeakPolarHBondContact O-CB 3.24Å; D161-A165 PolarHBondContact O-N 2.88Å; Y162-A165 PolarHBondContact O-N 3.32Å; A165-R167 PolarHBondContact O-N 2.69Å; A165-D168 PolarHBondContact O-N 3.32Å; A165-V169 VanDerWaalsContact O-CG2 3.24Å; A165-V169 WeakPolarHBondContact O-CG2 3.36Å; A165-V169 PolarHBondContact O-N 3.15Å; A165-V169 VanDerWaalsContact O-N 3.15Å
166A97.5Very high93Very high0 Ų055.5 Ų55.50%027%0.27CS..Hα-helixtrans-58-48175.600000112.4L121 V125 Y162 L163 F164 V246L121-A166 WeakPolarHBondContact CD1-O 3.1Å; L121-A166 HydrophobicContact CG-CB 4.25Å; V125-A166 HydrophobicContact CG2-CB 4.19Å; Y162-A166 WeakPolarHBondContact O-CB 3.35Å; Y162-A166 PolarHBondContact O-N 3.47Å; L163-A166 WeakPolarHBondContact O-CB 3.23Å; L163-A166 PolarHBondContact O-N 3.33Å; F164-A166 VanDerWaalsContact C-N 3.3Å; F164-A166 PolarHBondContact O-N 3.32Å; A166-V246 HydrophobicContact CB-CG1 4.09Å
167R97.6Very high91.3Very high59 Ų5957.1 Ų57.122%0.22329%0.287CS..Hα-helixtrans-64.6-46.2178.1-177.1-16165.6-177.60.1111.4L163 F164 A165 V169 F170 V171 V246 I250L163-R167 PolarHBondContact O-N 2.99Å; F164-R167 VanDerWaalsContact CD1-NH2 3.34Å; F164-R167 PolarHBondContact O-N 3.31Å; A165-R167 PolarHBondContact O-N 2.69Å; R167-V169 VanDerWaalsContact C-N 3.26Å; R167-V169 PolarHBondContact O-N 3.33Å; R167-F170 PolarHBondContact O-N 3.47Å; R167-V171 HydrophobicContact CG-CG2 3.84Å; R167-V171 WeakPolarHBondContact O-CG2 3.45Å; R167-V171 PolarHBondContact O-N 3.14Å; R167-V246 HydrophobicContact CB-CG1 3.88Å; R167-I250 HydrophobicContact CB-CD1 3.98Å; R167-I250 HydrophobicContact CG-CD1 4.45Å
168D96.6Very high88.7Confident50 Ų5058.7 Ų58.727%0.26731%0.305SS..Hα-helixtrans-65.4-32.1-171.5-72.70.8000111.8F164 A165 F170 V171 Y172F164-D168 VanDerWaalsContact O-CB 3.23Å; F164-D168 WeakPolarHBondContact O-CB 3.42Å; F164-D168 PolarHBondContact O-N 3.48Å; A165-D168 PolarHBondContact O-N 3.32Å; D168-F170 PolarHBondContact O-N 3.29Å; D168-V171 PolarHBondContact O-N 3.3Å; D168-Y172 HydrophobicContact CB-CD2 3.77Å; D168-Y172 HydrophobicContact CB-CE2 3.89Å; D168-Y172 WeakPolarHBondContact O-CD2 3.28Å; D168-Y172 PolarHBondContact O-N 3.2Å
169V94.6Very high86.5Confident27 Ų2766 Ų6616%0.16433%0.334CS..Hα-helixtrans-57.6-34.1171.6168.90000112.6Q117 D120 Y124 A165 R167Q117-V169 VanDerWaalsContact CA-CG1 3.44Å; Q117-V169 HydrophobicContact CB-CG1 3.61Å; Q117-V169 HydrophobicContact CG-CG1 3.91Å; Q117-V169 PolarHBondContact NE2-O 3.37Å; Q117-V169 WeakPolarHBondContact O-CG1 3.44Å; D120-V169 HydrophobicContact CB-CG1 3.9Å; D120-V169 HydrophobicContact CB-CG2 4.11Å; Y124-V169 HydrophobicContact CD2-CG2 4.02Å; Y124-V169 HydrophobicContact CE2-CG2 3.65Å; A165-V169 VanDerWaalsContact O-CG2 3.24Å; A165-V169 WeakPolarHBondContact O-CG2 3.36Å; A165-V169 PolarHBondContact O-N 3.15Å; A165-V169 VanDerWaalsContact O-N 3.15Å; R167-V169 VanDerWaalsContact C-N 3.26Å; R167-V169 PolarHBondContact O-N 3.33Å
170F94.1Very high84.7Confident0 Ų067.5 Ų67.50%035%0.345CS..Hα-helixtrans-89.2-37.2177.5-93.148000112.4Q117 V118 L121 R167 D168 I205 S206 S207 F239 L242 I243Q117-F170 WeakPolarHBondContact O-CE1 3.26Å; V118-F170 HydrophobicContact CG2-CE1 4.37Å; V118-F170 HydrophobicContact CG2-CZ 4.03Å; L121-F170 HydrophobicContact CB-CD1 3.99Å; L121-F170 HydrophobicContact CB-CE1 3.68Å; L121-F170 HydrophobicContact CD1-CB 4.48Å; L121-F170 HydrophobicContact CD1-CD1 3.35Å; L121-F170 HydrophobicContact CD1-CD2 4.2Å; L121-F170 HydrophobicContact CD1-CE1 3.44Å; L121-F170 VanDerWaalsContact CD1-CE1 3.44Å; L121-F170 HydrophobicContact CD1-CE2 4.26Å; L121-F170 HydrophobicContact CD1-CG 3.76Å; L121-F170 HydrophobicContact CD1-CZ 3.9Å; L121-F170 HydrophobicContact CG-CD1 4.29Å; L121-F170 HydrophobicContact CG-CE1 4.14Å; R167-F170 PolarHBondContact O-N 3.47Å; D168-F170 PolarHBondContact O-N 3.29Å; F170-I205 HydrophobicContact CB-CG2 4.43Å; F170-I205 HydrophobicContact CD2-CG2 3.9Å; F170-I205 HydrophobicContact CE1-CD1 4.16Å; F170-I205 HydrophobicContact CE2-CD1 4.25Å; F170-I205 HydrophobicContact CE2-CG2 4.31Å; F170-I205 HydrophobicContact CG-CG2 4.07Å; F170-I205 HydrophobicContact CZ-CD1 3.93Å; F170-S206 CarbonylContact O-C 3.59Å; F170-S206 WeakPolarHBondContact O-CA 3.28Å; F170-S207 PolarHBondContact O-N 3.38Å; F170-F239 HydrophobicContact CD2-CB 4.16Å; F170-F239 HydrophobicContact CD2-CG 4.45Å; F170-F239 HydrophobicContact CE2-CB 3.85Å; F170-F239 AromaticContact CE2-CD1 3.65Å; F170-F239 HydrophobicContact CE2-CD1 3.65Å; F170-F239 HydrophobicContact CE2-CE1 4.4Å; F170-F239 AromaticContact CE2-CG 3.85Å; F170-F239 HydrophobicContact CE2-CG 3.85Å; F170-F239 HydrophobicContact CZ-CD1 4.17Å; F170-L242 HydrophobicContact CE2-CB 4.45Å; F170-L242 HydrophobicContact CE2-CD1 4.15Å; F170-L242 HydrophobicContact CZ-CD1 4.03Å; F170-I243 HydrophobicContact CB-CD1 4.08Å; F170-I243 HydrophobicContact CB-CG1 3.91Å; F170-I243 HydrophobicContact CD2-CD1 4.01Å; F170-I243 HydrophobicContact CD2-CG1 3.86Å; F170-I243 HydrophobicContact CG-CG1 4.29Å
171V92.7Very high82.9Confident40 Ų4072 Ų7224%0.24237%0.368CS..Hα-helixtrans-71.9-47.9-173.7172.20000111.3R167 D168 S206 S207R167-V171 HydrophobicContact CG-CG2 3.84Å; R167-V171 WeakPolarHBondContact O-CG2 3.45Å; R167-V171 PolarHBondContact O-N 3.14Å; D168-V171 PolarHBondContact O-N 3.3Å; V171-S206 PolarHBondContact O-OG 2.83Å; V171-S207 PolarHBondContact O-N 3.32Å
172Y90.9Very high81Confident139 Ų13973 Ų7355%0.54538%0.377SS..SBendtrans-92139.1-172.9-58.1-61.2000111.9D168D168-Y172 HydrophobicContact CB-CD2 3.77Å; D168-Y172 HydrophobicContact CB-CE2 3.89Å; D168-Y172 WeakPolarHBondContact O-CD2 3.28Å; D168-Y172 PolarHBondContact O-N 3.2Å
173A85.7Confident79.3Confident53 Ų5373.6 Ų73.644%0.43838%0.383SS..PPolyproline II helixtrans-60.5140.3170.100000109.9K175 Y204A173-K175 PolarHBondContact O-N 3.25Å; A173-Y204 HydrophobicContact CB-CD2 4.13Å; A173-Y204 HydrophobicContact CB-CE2 3.78Å
174P82.4Confident77.9Confident65 Ų6575.4 Ų75.442%0.42239%0.392SS..PPolyproline II helixtrans-63.2130.3-177.625-32.6000110.3Y204P174-Y204 HydrophobicContact CG-CD2 4.43Å; P174-Y204 HydrophobicContact CG-CG 4.09Å
175K75.7Confident76.7Confident200 Ų20078.8 Ų78.887%0.8741%0.409SS*.PPolyproline II helixtrans-71.6130.2167.2-64.3-178.8-178.41780107.6A173 G177A173-K175 PolarHBondContact O-N 3.25Å; K175-G177 PolarHBondContact O-N 2.95Å
176K68.9Low75.7Confident140 Ų14084.9 Ų84.961%0.60943%0.426SS*.  trans-60.8104.3174.6-70.1-169.3176.7-172.50109.1
177G60.2Low74.8Confident34 Ų3485.5 Ų85.535%0.35143%0.429SS..  trans-88.7173.6174.800000112.1K175 F179 S180K175-G177 PolarHBondContact O-N 2.95Å; G177-F179 PolarHBondContact O-N 2.75Å; G177-F179 VanDerWaalsContact O-N 3.14Å; G177-S180 VanDerWaalsContact O-CB 3.3Å; G177-S180 WeakPolarHBondContact O-CB 3.32Å; G177-S180 PolarHBondContact O-N 3.37Å; G177-S180 PolarHBondContact O-OG 3.2Å
178P40.8Very low74Confident113 Ų11386.3 Ų86.373%0.73443%0.434SS*.THydrogen-bonded Turntrans-60-27.1-177.223.6-33.4000113.7S180P178-S180 VanDerWaalsContact C-N 3.28Å; P178-S180 PolarHBondContact O-N 3.09Å
179F51.3Low73.5Confident173 Ų17390.3 Ų90.376%0.75945%0.45SS*.THydrogen-bonded Turntrans-79.7-4.8177.8-58-71.3000114.1G177 Q181 T182 H183G177-F179 PolarHBondContact O-N 2.75Å; G177-F179 VanDerWaalsContact O-N 3.14Å; F179-Q181 VanDerWaalsContact C-N 3.26Å; F179-Q181 PolarHBondContact O-N 3.01Å; F179-T182 PolarHBondContact O-N 3Å; F179-H183 PolarHBondContact O-N 3.26Å
180S61.4Low73.1Confident32 Ų3289 Ų8922%0.22444%0.442CS..Hα-helixtrans-61.1-38.2-17874.60000111.3G177 P178 T182 H183 D184G177-S180 VanDerWaalsContact O-CB 3.3Å; G177-S180 WeakPolarHBondContact O-CB 3.32Å; G177-S180 PolarHBondContact O-N 3.37Å; G177-S180 PolarHBondContact O-OG 3.2Å; P178-S180 VanDerWaalsContact C-N 3.28Å; P178-S180 PolarHBondContact O-N 3.09Å; S180-T182 PolarHBondContact O-N 3.02Å; S180-H183 PolarHBondContact O-N 2.71Å; S180-D184 WeakPolarHBondContact O-CB 3.47Å; S180-D184 PolarHBondContact O-N 2.86Å
181Q59.7Low73Confident147 Ų14789.2 Ų89.269%0.68744%0.443SS*.Hα-helixtrans-62-46.3-177.1-63.9-177.15.600112.9F179 H183 D184 E185F179-Q181 VanDerWaalsContact C-N 3.26Å; F179-Q181 PolarHBondContact O-N 3.01Å; Q181-H183 VanDerWaalsContact C-N 3.34Å; Q181-H183 PolarHBondContact O-N 3.29Å; Q181-D184 WeakPolarHBondContact O-CB 3.45Å; Q181-D184 PolarHBondContact O-N 2.77Å; Q181-E185 PolarHBondContact O-N 2.83Å; Q181-E185 VanDerWaalsContact O-N 3.07Å
182T58.8Low73Confident102 Ų10290.5 Ų90.563%0.62645%0.45SS*.Hα-helixtrans-66.4-38.7179.1-49.90000111.7F179 S180 R186F179-T182 PolarHBondContact O-N 3Å; S180-T182 PolarHBondContact O-N 3.02Å; T182-R186 PolarHBondContact O-N 3.37Å
183H61.6Low73.1Confident87 Ų8787.5 Ų87.540%0.40345%0.448SS..Hα-helixtrans-63.4-44.7174.7-175.6-100000110.9F179 S180 Q181 E185 R186 L187F179-H183 PolarHBondContact O-N 3.26Å; S180-H183 PolarHBondContact O-N 2.71Å; Q181-H183 VanDerWaalsContact C-N 3.34Å; Q181-H183 PolarHBondContact O-N 3.29Å; H183-E185 VanDerWaalsContact C-N 3.33Å; H183-E185 PolarHBondContact O-N 2.87Å; H183-R186 PolarHBondContact O-N 3.25Å; H183-L187 WeakPolarHBondContact CE1-CD1 3.35Å; H183-L187 WeakPolarHBondContact ND1-CD1 3.5Å; H183-L187 WeakPolarHBondContact O-CG 3.49Å; H183-L187 PolarHBondContact O-N 3.28Å
184D70.1Confident73.4Confident38 Ų3890.5 Ų90.520%0.20346%0.456CS..Hα-helixtrans-58.9-42178.9-65-19.7000111.7S180 Q181 L187 K188S180-D184 WeakPolarHBondContact O-CB 3.47Å; S180-D184 PolarHBondContact O-N 2.86Å; Q181-D184 WeakPolarHBondContact O-CB 3.45Å; Q181-D184 PolarHBondContact O-N 2.77Å; D184-L187 PolarHBondContact O-N 3.42Å; D184-K188 VanDerWaalsContact O-CG 3.32Å; D184-K188 WeakPolarHBondContact O-CG 3.34Å; D184-K188 PolarHBondContact O-N 3.34Å
185E72.8Confident73.9Confident130 Ų13088.4 Ų88.461%0.60744%0.442SS*.Hα-helixtrans-64.5-40.9177.1-74-170.8171.200113.3Q181 H183 K188Q181-E185 PolarHBondContact O-N 2.83Å; Q181-E185 VanDerWaalsContact O-N 3.07Å; H183-E185 VanDerWaalsContact C-N 3.33Å; H183-E185 PolarHBondContact O-N 2.87Å; E185-K188 PolarHBondContact O-N 3.33Å
186R75.7Confident74.7Confident154 Ų15480.4 Ų80.458%0.58141%0.411SS*.Hα-helixtrans-66.4-42.7176.8-177.3178171.7176-2.3110.7T182 H183 K188 K189T182-R186 PolarHBondContact O-N 3.37Å; H183-R186 PolarHBondContact O-N 3.25Å; R186-K188 VanDerWaalsContact C-N 3.35Å; R186-K188 PolarHBondContact O-N 2.85Å; R186-K189 WeakPolarHBondContact O-CB 3.39Å; R186-K189 PolarHBondContact O-N 3.1Å
187L78.9Confident75.7Confident12 Ų1278.3 Ų78.36%0.06342%0.42CS..Hα-helixtrans-62.1-40.5177.6-71.4-173.5000112.5W113 H183 D184 K189 C190 F191W113-L187 HydrophobicContact CB-CD2 3.97Å; W113-L187 HydrophobicContact CD2-CD2 3.88Å; W113-L187 HydrophobicContact CG-CD2 3.46Å; W113-L187 VanDerWaalsContact CG-CD2 3.46Å; W113-L187 HydrophobicContact CZ2-CD1 4.09Å; H183-L187 WeakPolarHBondContact CE1-CD1 3.35Å; H183-L187 WeakPolarHBondContact ND1-CD1 3.5Å; H183-L187 WeakPolarHBondContact O-CG 3.49Å; H183-L187 PolarHBondContact O-N 3.28Å; D184-L187 PolarHBondContact O-N 3.42Å; L187-K189 PolarHBondContact O-N 3.46Å; L187-C190 WeakPolarHBondContact O-CB 3.23Å; L187-C190 PolarHBondContact O-N 2.81Å; L187-C190 PolarHBondContact O-SG 3.17Å; L187-F191 WeakPolarHBondContact O-CD2 3.4Å; L187-F191 VanDerWaalsContact O-CE2 3.29Å; L187-F191 WeakPolarHBondContact O-CE2 3.38Å
188K82.2Confident77.2Confident76 Ų7678.2 Ų78.233%0.3341%0.412SS..Hα-helixtrans-56.2-34177.1-76.4178.3-178.4-172.10112.5D184 E185 R186 C190 F191 L194 P195D184-K188 VanDerWaalsContact O-CG 3.32Å; D184-K188 WeakPolarHBondContact O-CG 3.34Å; D184-K188 PolarHBondContact O-N 3.34Å; E185-K188 PolarHBondContact O-N 3.33Å; R186-K188 VanDerWaalsContact C-N 3.35Å; R186-K188 PolarHBondContact O-N 2.85Å; K188-C190 PolarHBondContact O-N 3.12Å; K188-F191 PolarHBondContact O-N 3.32Å; K188-L194 WeakPolarHBondContact O-CD2 3.44Å; K188-P195 HydrophobicContact CB-CG 3.95Å; K188-P195 HydrophobicContact CD-CG 4.47Å; K188-P195 HydrophobicContact CG-CG 3.82Å; K188-P195 WeakPolarHBondContact O-CD 3.48Å
189K84.6Confident79.6Confident134 Ų13472.9 Ų72.958%0.58338%0.377SS*.THydrogen-bonded Turntrans-71.1-17.8177.9-63.7176.6-177.4177.40113.4Q108 I111 R186 L187 F191Q108-K189 PolarHBondContact NE2-O 3.09Å; I111-K189 HydrophobicContact CD1-CB 4.42Å; R186-K189 WeakPolarHBondContact O-CB 3.39Å; R186-K189 PolarHBondContact O-N 3.1Å; L187-K189 PolarHBondContact O-N 3.46Å; K189-F191 VanDerWaalsContact C-N 3.28Å; K189-F191 PolarHBondContact O-N 3.33Å
190C87.2Confident81.5Confident1 Ų167.2 Ų67.21%0.00735%0.354CS..THydrogen-bonded Turntrans-69.6-25.5177.6-56.80000112.6V107 Q108 I111 L187 K188V107-C190 CarbonylContact C-O 3.57Å; V107-C190 VanDerWaalsContact CA-O 3.3Å; V107-C190 WeakPolarHBondContact CA-O 3.5Å; V107-C190 HydrophobicContact CG1-CB 4.01Å; V107-C190 HydrophobicContact CG2-CB 4.35Å; Q108-C190 PolarHBondContact N-O 3.03Å; I111-C190 HydrophobicContact CB-CB 4.47Å; I111-C190 WeakPolarHBondContact CG2-SG 3.39Å; L187-C190 WeakPolarHBondContact O-CB 3.23Å; L187-C190 PolarHBondContact O-N 2.81Å; L187-C190 PolarHBondContact O-SG 3.17Å; K188-C190 PolarHBondContact O-N 3.12Å
191F91.2Very high82.8Confident3 Ų366.3 Ų66.31%0.01335%0.346CS..EExtended strand (participates in β ladder)trans-84.9140.8-172.8-63.3-100.5000112.5I91 A105 V106 V107 W113 L187 K188 K189 P193 F201I91-F191 HydrophobicContact CD1-CD1 4.32Å; I91-F191 HydrophobicContact CD1-CE1 3.46Å; I91-F191 VanDerWaalsContact CD1-CE1 3.46Å; I91-F191 HydrophobicContact CD1-CZ 4.25Å; A105-F191 HydrophobicContact CB-CB 4.29Å; A105-F191 HydrophobicContact CB-CD1 3.98Å; V106-F191 CarbonylContact O-C 3.54Å; V106-F191 WeakPolarHBondContact O-CA 3.3Å; V107-F191 HydrophobicContact CG2-CD1 4.33Å; V107-F191 HydrophobicContact CG2-CE1 4.38Å; W113-F191 HydrophobicContact CH2-CZ 4.29Å; W113-F191 HydrophobicContact CZ3-CZ 4.16Å; L187-F191 WeakPolarHBondContact O-CD2 3.4Å; L187-F191 VanDerWaalsContact O-CE2 3.29Å; L187-F191 WeakPolarHBondContact O-CE2 3.38Å; K188-F191 PolarHBondContact O-N 3.32Å; K189-F191 VanDerWaalsContact C-N 3.28Å; K189-F191 PolarHBondContact O-N 3.33Å; F191-P193 CarbonylContact C-O 3.52Å; F191-P193 WeakPolarHBondContact CB-O 3.38Å; F191-P193 CarbonylContact O-C 3.51Å; F191-F201 HydrophobicContact CE1-CD1 4.23Å; F191-F201 HydrophobicContact CE1-CE1 4.4Å; F191-F201 HydrophobicContact CE1-CG 4.31Å; F191-F201 HydrophobicContact CZ-CB 4.06Å; F191-F201 HydrophobicContact CZ-CD1 4.2Å; F191-F201 HydrophobicContact CZ-CD2 4.24Å; F191-F201 AromaticContact CZ-CG 3.88Å; F191-F201 HydrophobicContact CZ-CG 3.88Å
192V92.5Very high84.3Confident67 Ų6761.2 Ų61.241%0.40632%0.323SS..EExtended strand (participates in β ladder)trans-126.5118.1169.6173.30000109.1A105 V106 Q108A105-V192 VanDerWaalsContact CA-O 3.32Å; A105-V192 WeakPolarHBondContact CA-O 3.32Å; V106-V192 HydrophobicContact CG2-CB 4.21Å; V106-V192 PolarHBondContact N-O 2.89Å; V106-V192 PolarHBondContact O-N 2.98Å; Q108-V192 HydrophobicContact CG-CB 4.42Å; Q108-V192 HydrophobicContact CG-CG2 3.36Å
193P93.9Very high85.8Confident76 Ų7657 Ų5749%0.49430%0.297SS..SBendcis-61.9169.2-9.430.1-36.2000112.2Y103 R104 F191Y103-P193 HydrophobicContact CE2-CG 4.01Å; Y103-P193 PolarHBondContact OH-O 3.37Å; R104-P193 VanDerWaalsContact O-CD 3.29Å; R104-P193 WeakPolarHBondContact O-CD 3.36Å; F191-P193 CarbonylContact C-O 3.52Å; F191-P193 WeakPolarHBondContact CB-O 3.38Å; F191-P193 CarbonylContact O-C 3.51Å
194L92.3Very high87.3Confident117 Ų11754.5 Ų54.561%0.61328%0.284SS*.PPolyproline II helixtrans-63.8147.4172.8-71.3171.3000110.6Y103 K188Y103-L194 VanDerWaalsContact OH-C 3.29Å; Y103-L194 PolarHBondContact OH-O 3.43Å; K188-L194 WeakPolarHBondContact O-CD2 3.44Å
195P92.3Very high88.5Confident20 Ų2052.7 Ų52.713%0.1327%0.274CS..PPolyproline II helixtrans-70.8141.9-178.527.3-31.4000112Y103 K188 F201Y103-P195 WeakPolarHBondContact OH-CA 3.48Å; Y103-P195 VanDerWaalsContact OH-N 3.17Å; K188-P195 HydrophobicContact CB-CG 3.95Å; K188-P195 HydrophobicContact CD-CG 4.47Å; K188-P195 HydrophobicContact CG-CG 3.82Å; K188-P195 WeakPolarHBondContact O-CD 3.48Å; P195-F201 HydrophobicContact CB-CD2 4.13Å; P195-F201 HydrophobicContact CB-CE2 3.37Å; P195-F201 HydrophobicContact CB-CZ 4.19Å; P195-F201 HydrophobicContact CG-CE2 4.24Å
196P92.3Very high89.6Confident32 Ų3247.9 Ų47.921%0.20826%0.255CS..PPolyproline II helixtrans-49.8146.3164.1-28.135.1000112Y103 D198 L199Y103-P196 HydrophobicContact CD2-CG 4.03Å; Y103-P196 VanDerWaalsContact CE2-CD 3.42Å; Y103-P196 HydrophobicContact CE2-CG 4.35Å; P196-D198 WeakPolarHBondContact CB-OD1 3.18Å; P196-D198 PolarHBondContact O-N 3.46Å; P196-L199 HydrophobicContact CB-CG 4.32Å; P196-L199 HydrophobicContact CG-CD1 4.34Å; P196-L199 PolarHBondContact O-N 3.29Å
197A89.8Confident90.5Very high97 Ų9743.3 Ų43.380%0.80225%0.247SC*.THydrogen-bonded Turntrans-65.7-24.7-175.200000113.5L199A197-L199 VanDerWaalsContact C-N 3.3Å
198D91.6Very high91.2Very high32 Ų3244 Ų4417%0.17125%0.253CS..THydrogen-bonded Turntrans-82.4-0.7175.151.7-9.1000113.4H95 P196 Y216 S217H95-D198 IonicContact CE1-OD2 3.49Å; H95-D198 IonicContact NE2-OD1 3.48Å; H95-D198 PolarHBondContact NE2-OD1 3.49Å; H95-D198 IonicContact NE2-OD2 3.3Å; H95-D198 PolarHBondContact NE2-OD2 3.07Å; P196-D198 WeakPolarHBondContact CB-OD1 3.18Å; P196-D198 PolarHBondContact O-N 3.46Å; D198-Y216 HydrophobicContact CB-CD2 4.34Å; D198-Y216 HydrophobicContact CB-CE2 4.31Å; D198-Y216 CarbonylContact O-C 3.48Å; D198-Y216 WeakPolarHBondContact O-CA 3.05Å; D198-Y216 VanDerWaalsContact OD2-CE2 3.29Å; D198-Y216 WeakPolarHBondContact OD2-CE2 3.17Å; D198-S217 WeakPolarHBondContact CB-O 3.38Å; D198-S217 PolarHBondContact O-N 3.45Å
199L92.1Very high91.9Very high0 Ų044.4 Ų44.40%026%0.255CS..EExtended strand (participates in β ladder)trans-104.3131170.7-65.8-169.3000112.3V93 Y103 P196 A197 F201 V214 I215 Y216V93-L199 HydrophobicContact CG1-CD1 4.01Å; Y103-L199 HydrophobicContact CD1-CD1 3.84Å; Y103-L199 HydrophobicContact CG-CD1 3.94Å; P196-L199 HydrophobicContact CB-CG 4.32Å; P196-L199 HydrophobicContact CG-CD1 4.34Å; P196-L199 PolarHBondContact O-N 3.29Å; A197-L199 VanDerWaalsContact C-N 3.3Å; L199-F201 HydrophobicContact CB-CD2 4.47Å; L199-F201 HydrophobicContact CB-CE2 3.57Å; L199-F201 HydrophobicContact CB-CZ 3.9Å; L199-F201 HydrophobicContact CD1-CE2 4.17Å; L199-F201 HydrophobicContact CD1-CZ 3.66Å; L199-F201 HydrophobicContact CG-CZ 4.45Å; L199-V214 HydrophobicContact CD2-CG1 4.13Å; L199-I215 WeakPolarHBondContact CA-O 3.29Å; L199-Y216 HydrophobicContact CD2-CD2 3.98Å; L199-Y216 HydrophobicContact CD2-CG 4.44Å
200I89.7Confident92.4Very high54 Ų5438 Ų3828%0.27723%0.227SC..EExtended strand (participates in β ladder)trans-119.7129.4171.7-58.4170.4000108.3V214 I215I200-V214 CarbonylContact O-C 3.14Å; I200-V214 VanDerWaalsContact O-CA 3.3Å; I200-V214 WeakPolarHBondContact O-CA 3.3Å; I200-I215 HydrophobicContact CB-CB 4.29Å; I200-I215 PolarHBondContact N-O 3.15Å; I200-I215 PolarHBondContact O-N 2.99Å
201F90.6Very high92.8Very high13 Ų1339 Ų396%0.05723%0.232CC..EExtended strand (participates in β ladder)trans-112.9134.9-178.2-61.3-90.1000109.4I91 V93 Y103 F191 P195 L199 F212 N213 V214I91-F201 HydrophobicContact CG2-CE1 4.27Å; V93-F201 HydrophobicContact CG1-CE1 4.5Å; Y103-F201 AromaticContact CD1-CZ 3.9Å; Y103-F201 HydrophobicContact CD1-CZ 3.9Å; Y103-F201 HydrophobicContact CE1-CE1 4.35Å; Y103-F201 HydrophobicContact CE1-CE2 4.43Å; Y103-F201 AromaticContact CE1-CZ 3.63Å; Y103-F201 HydrophobicContact CE1-CZ 3.63Å; F191-F201 HydrophobicContact CE1-CD1 4.23Å; F191-F201 HydrophobicContact CE1-CE1 4.4Å; F191-F201 HydrophobicContact CE1-CG 4.31Å; F191-F201 HydrophobicContact CZ-CB 4.06Å; F191-F201 HydrophobicContact CZ-CD1 4.2Å; F191-F201 HydrophobicContact CZ-CD2 4.24Å; F191-F201 AromaticContact CZ-CG 3.88Å; F191-F201 HydrophobicContact CZ-CG 3.88Å; P195-F201 HydrophobicContact CB-CD2 4.13Å; P195-F201 HydrophobicContact CB-CE2 3.37Å; P195-F201 HydrophobicContact CB-CZ 4.19Å; P195-F201 HydrophobicContact CG-CE2 4.24Å; L199-F201 HydrophobicContact CB-CD2 4.47Å; L199-F201 HydrophobicContact CB-CE2 3.57Å; L199-F201 HydrophobicContact CB-CZ 3.9Å; L199-F201 HydrophobicContact CD1-CE2 4.17Å; L199-F201 HydrophobicContact CD1-CZ 3.66Å; L199-F201 HydrophobicContact CG-CZ 4.45Å; F201-F212 HydrophobicContact CB-CE2 4.2Å; F201-F212 HydrophobicContact CD1-CE2 4.11Å; F201-F212 AromaticContact CD1-CZ 3.59Å; F201-F212 HydrophobicContact CD1-CZ 3.59Å; F201-F212 HydrophobicContact CE1-CZ 4.33Å; F201-N213 WeakPolarHBondContact CA-O 3.21Å; F201-V214 HydrophobicContact CD1-CB 4.37Å; F201-V214 HydrophobicContact CD1-CG1 3.96Å; F201-V214 HydrophobicContact CD1-CG2 3.67Å; F201-V214 HydrophobicContact CE1-CB 4.41Å; F201-V214 HydrophobicContact CE1-CG1 3.7Å; F201-V214 HydrophobicContact CE1-CG2 3.81Å; F201-V214 HydrophobicContact CZ-CG1 4.13Å
202N89.7Confident93Very high41 Ų4139 Ų3922%0.21923%0.232CC..EExtended strand (participates in β ladder)trans-142.6135.3172.1157.870.5000111.5Y204 F212 N213N202-Y204 WeakPolarHBondContact ND2-CD1 3.37Å; N202-Y204 WeakPolarHBondContact ND2-CE1 3.36Å; N202-F212 WeakPolarHBondContact O-CA 3.37Å; N202-F212 WeakPolarHBondContact O-CD2 3.2Å; N202-N213 WeakPolarHBondContact CA-OD1 3.3Å; N202-N213 WeakPolarHBondContact CB-OD1 3.47Å; N202-N213 PolarHBondContact N-O 2.9Å; N202-N213 PolarHBondContact N-OD1 3.32Å; N202-N213 PolarHBondContact ND2-ND2 3.37Å; N202-N213 PolarHBondContact ND2-OD1 2.98Å; N202-N213 PolarHBondContact O-N 3.2Å; N202-N213 PolarHBondContact O-OD1 3.5Å
203L91.7Very high93Very high14 Ų1436.7 Ų36.77%0.07322%0.217CC..EExtended strand (participates in β ladder)trans-126.3124.5-176.5-176.773.9000107.7F79 V86 W113 L115 L210 N211 F212F79-L203 HydrophobicContact CD1-CD2 4.32Å; F79-L203 HydrophobicContact CD2-CD1 4.42Å; F79-L203 HydrophobicContact CE1-CD1 4.1Å; F79-L203 HydrophobicContact CE1-CD2 4.08Å; F79-L203 HydrophobicContact CE2-CD1 3.89Å; F79-L203 HydrophobicContact CZ-CD1 3.73Å; V86-L203 HydrophobicContact CG2-CD2 3.52Å; W113-L203 HydrophobicContact CD2-CD2 4.14Å; W113-L203 HydrophobicContact CE3-CD2 4.41Å; W113-L203 HydrophobicContact CH2-CB 3.75Å; W113-L203 HydrophobicContact CH2-CD2 3.99Å; W113-L203 HydrophobicContact CH2-CG 4.45Å; W113-L203 HydrophobicContact CZ2-CB 3.16Å; W113-L203 HydrophobicContact CZ2-CD2 3.69Å; W113-L203 HydrophobicContact CZ2-CG 4.06Å; W113-L203 HydrophobicContact CZ3-CD2 4.32Å; L115-L203 HydrophobicContact CD2-CD2 3.84Å; L115-L203 HydrophobicContact CD2-CG 4.16Å; L203-L210 HydrophobicContact CD1-CD1 3.71Å; L203-L210 HydrophobicContact CD1-CD2 4.1Å; L203-L210 HydrophobicContact CD1-CG 3.76Å; L203-L210 HydrophobicContact CD2-CD1 4.34Å; L203-L210 HydrophobicContact CG-CD1 3.89Å; L203-L210 HydrophobicContact CG-CG 4.48Å; L203-N211 WeakPolarHBondContact CA-O 3.49Å; L203-F212 HydrophobicContact CB-CD2 4.19Å; L203-F212 HydrophobicContact CD1-CB 3.86Å; L203-F212 HydrophobicContact CD1-CD2 3.99Å; L203-F212 HydrophobicContact CD1-CG 4.31Å
204Y93.2Very high93Very high33 Ų3333 Ų3313%0.12919%0.194CC..EExtended strand (participates in β ladder)trans-151.9162.8-175.162.9-82.9000111.5A173 P174 N202 N211A173-Y204 HydrophobicContact CB-CD2 4.13Å; A173-Y204 HydrophobicContact CB-CE2 3.78Å; P174-Y204 HydrophobicContact CG-CD2 4.43Å; P174-Y204 HydrophobicContact CG-CG 4.09Å; N202-Y204 WeakPolarHBondContact ND2-CD1 3.37Å; N202-Y204 WeakPolarHBondContact ND2-CE1 3.36Å; Y204-N211 HydrophobicContact CD1-CB 4.13Å; Y204-N211 HydrophobicContact CD2-CB 3.98Å; Y204-N211 HydrophobicContact CE1-CB 3.74Å; Y204-N211 HydrophobicContact CE2-CB 3.55Å; Y204-N211 HydrophobicContact CG-CB 4.25Å; Y204-N211 VanDerWaalsContact CZ-CB 3.42Å; Y204-N211 PolarHBondContact N-O 3.39Å; Y204-N211 PolarHBondContact O-N 2.94Å
205I95.1Very high93Very high0 Ų029.1 Ų29.10%017%0.173CC..EExtended strand (participates in β ladder)trans-94.7135.9173.2-55.7176.9000108.1L115 Q117 V118 F170 S207 K209 F239L115-I205 HydrophobicContact CD1-CD1 4.41Å; Q117-I205 HydrophobicContact CB-CD1 4.19Å; Q117-I205 PolarHBondContact NE2-O 2.85Å; V118-I205 HydrophobicContact CG2-CD1 3.53Å; F170-I205 HydrophobicContact CB-CG2 4.43Å; F170-I205 HydrophobicContact CD2-CG2 3.9Å; F170-I205 HydrophobicContact CE1-CD1 4.16Å; F170-I205 HydrophobicContact CE2-CD1 4.25Å; F170-I205 HydrophobicContact CE2-CG2 4.31Å; F170-I205 HydrophobicContact CG-CG2 4.07Å; F170-I205 HydrophobicContact CZ-CD1 3.93Å; I205-S207 WeakPolarHBondContact CG2-O 3.38Å; I205-K209 WeakPolarHBondContact CA-O 3.28Å; I205-F239 HydrophobicContact CB-CE2 4.49Å; I205-F239 HydrophobicContact CD1-CD1 4.25Å; I205-F239 HydrophobicContact CD1-CD2 4.3Å; I205-F239 HydrophobicContact CD1-CE1 3.63Å; I205-F239 HydrophobicContact CD1-CE2 3.77Å; I205-F239 HydrophobicContact CD1-CZ 3.41Å; I205-F239 VanDerWaalsContact CD1-CZ 3.41Å; I205-F239 HydrophobicContact CG1-CD2 4.33Å; I205-F239 HydrophobicContact CG1-CE1 4.46Å; I205-F239 HydrophobicContact CG1-CE2 3.7Å; I205-F239 HydrophobicContact CG1-CZ 3.79Å; I205-F239 HydrophobicContact CG2-CD2 3.89Å; I205-F239 HydrophobicContact CG2-CE2 4.12Å; I205-F239 HydrophobicContact CG2-CG 4.44Å
206S94.9Very high92.9Very high30 Ų3028.1 Ų28.121%0.2117%0.167CC..EExtended strand (participates in β ladder)trans-144.4124.4165.2179.80000108.6F170 V171 K209 N211F170-S206 CarbonylContact O-C 3.59Å; F170-S206 WeakPolarHBondContact O-CA 3.28Å; V171-S206 PolarHBondContact O-OG 2.83Å; S206-K209 PolarHBondContact N-O 2.96Å; S206-K209 WeakPolarHBondContact O-CB 3.32Å; S206-K209 PolarHBondContact O-N 3.23Å; S206-K209 VanDerWaalsContact O-N 3.15Å; S206-N211 WeakPolarHBondContact CB-ND2 3.43Å; S206-N211 PolarHBondContact N-ND2 3.04Å; S206-N211 VanDerWaalsContact N-ND2 3.16Å
207S94.3Very high92.8Very high58 Ų5829.3 Ų29.341%0.40618%0.176SC..THydrogen-bonded Turntrans53.4-136-163.6-53.60000110.9F170 V171 I205 K209 I243F170-S207 PolarHBondContact O-N 3.38Å; V171-S207 PolarHBondContact O-N 3.32Å; I205-S207 WeakPolarHBondContact CG2-O 3.38Å; S207-K209 VanDerWaalsContact C-N 3.25Å; S207-K209 PolarHBondContact O-N 3.18Å; S207-I243 WeakPolarHBondContact O-CD1 3.2Å
208S94.3Very high92.7Very high27 Ų2725 Ų2519%0.18914%0.139CC..THydrogen-bonded Turntrans-88.618.8176.155.50000113.7H235 V236S208-H235 WeakPolarHBondContact CB-NE2 3.19Å; S208-H235 PolarHBondContact OG-CD2 2.94Å; S208-H235 PolarHBondContact OG-NE2 3.16Å; S208-H235 VanDerWaalsContact OG-NE2 3.15Å; S208-V236 PolarHBondContact O-N 3.04Å
209K96.3Very high92.2Very high84 Ų8428.3 Ų28.337%0.36517%0.171SC..EExtended strand (participates in β ladder)trans-110.7138.1-175.7-64.3173163.6-148.20111.9I205 S206 S207 N211 D233 C234I205-K209 WeakPolarHBondContact CA-O 3.28Å; S206-K209 PolarHBondContact N-O 2.96Å; S206-K209 WeakPolarHBondContact O-CB 3.32Å; S206-K209 PolarHBondContact O-N 3.23Å; S206-K209 VanDerWaalsContact O-N 3.15Å; S207-K209 VanDerWaalsContact C-N 3.25Å; S207-K209 PolarHBondContact O-N 3.18Å; K209-N211 PolarHBondContact O-ND2 2.78Å; K209-N211 VanDerWaalsContact O-ND2 3.1Å; K209-D233 HydrophobicContact CB-CB 4.46Å; K209-D233 HydrophobicContact CD-CB 4.33Å; K209-D233 WeakPolarHBondContact CD-OD1 3.19Å; K209-D233 WeakPolarHBondContact CE-OD1 3.45Å; K209-D233 IonicContact NZ-OD1 3.6Å; K209-D233 PolarHBondContact NZ-OD1 3.4Å; K209-D233 IonicContact NZ-OD2 2.7Å; K209-D233 PolarHBondContact NZ-OD2 2.93Å; K209-C234 CarbonylContact C-O 3.55Å; K209-C234 WeakPolarHBondContact CA-O 3.33Å
210L95.7Very high91.7Very high0 Ų036.2 Ų36.20%021%0.208CC..EExtended strand (participates in β ladder)trans-81.2124.9157.8-173.266.3000107.2M67 F79 L81 L115 L203 D233 C234 V236 F239M67-L210 WeakPolarHBondContact CE-O 3.48Å; M67-L210 HydrophobicContact SD-CD2 4.28Å; F79-L210 HydrophobicContact CB-CD2 4.26Å; F79-L210 HydrophobicContact CD2-CD2 4.1Å; F79-L210 HydrophobicContact CG-CD2 4.27Å; L81-L210 HydrophobicContact CD1-CD2 4.4Å; L115-L210 HydrophobicContact CD1-CD1 4.26Å; L115-L210 HydrophobicContact CD2-CD1 4.23Å; L203-L210 HydrophobicContact CD1-CD1 3.71Å; L203-L210 HydrophobicContact CD1-CD2 4.1Å; L203-L210 HydrophobicContact CD1-CG 3.76Å; L203-L210 HydrophobicContact CD2-CD1 4.34Å; L203-L210 HydrophobicContact CG-CD1 3.89Å; L203-L210 HydrophobicContact CG-CG 4.48Å; L210-D233 CarbonylContact O-C 3.58Å; L210-D233 VanDerWaalsContact O-CA 3.22Å; L210-D233 WeakPolarHBondContact O-CA 3.35Å; L210-C234 PolarHBondContact N-O 3.48Å; L210-C234 PolarHBondContact O-N 3.44Å; L210-V236 HydrophobicContact CB-CG2 3.9Å; L210-F239 HydrophobicContact CB-CE2 4.19Å; L210-F239 HydrophobicContact CD1-CE2 4.48Å
211N95.2Very high90.9Very high22 Ų2238.7 Ų38.712%0.11823%0.228CC..EExtended strand (participates in β ladder)trans-115.8132.4-178.5-59.7-94.8000108.4L203 Y204 S206 K209L203-N211 WeakPolarHBondContact CA-O 3.49Å; Y204-N211 HydrophobicContact CD1-CB 4.13Å; Y204-N211 HydrophobicContact CD2-CB 3.98Å; Y204-N211 HydrophobicContact CE1-CB 3.74Å; Y204-N211 HydrophobicContact CE2-CB 3.55Å; Y204-N211 HydrophobicContact CG-CB 4.25Å; Y204-N211 VanDerWaalsContact CZ-CB 3.42Å; Y204-N211 PolarHBondContact N-O 3.39Å; Y204-N211 PolarHBondContact O-N 2.94Å; S206-N211 WeakPolarHBondContact CB-ND2 3.43Å; S206-N211 PolarHBondContact N-ND2 3.04Å; S206-N211 VanDerWaalsContact N-ND2 3.16Å; K209-N211 PolarHBondContact O-ND2 2.78Å; K209-N211 VanDerWaalsContact O-ND2 3.1Å
212F94.8Very high90.2Very high1 Ų141 Ų410%0.00425%0.245CC..EExtended strand (participates in β ladder)trans-126.7125.4176.6-178.9-121.5000109.8M67 L75 C77 F79 I91 W113 F201 N202 L203 V214 E231 C232M67-F212 HydrophobicContact CE-CB 4.06Å; L75-F212 HydrophobicContact CD1-CD1 4.29Å; L75-F212 HydrophobicContact CD1-CE1 4.02Å; L75-F212 HydrophobicContact CD2-CD1 4.22Å; C77-F212 HydrophobicContact CB-CD1 4.27Å; C77-F212 HydrophobicContact CB-CE1 4.29Å; F79-F212 HydrophobicContact CE2-CB 3.9Å; F79-F212 HydrophobicContact CE2-CD1 4.16Å; F79-F212 HydrophobicContact CE2-CD2 4.36Å; F79-F212 AromaticContact CE2-CG 3.9Å; F79-F212 HydrophobicContact CE2-CG 3.9Å; F79-F212 HydrophobicContact CZ-CB 4.1Å; F79-F212 AromaticContact CZ-CD1 3.96Å; F79-F212 HydrophobicContact CZ-CD1 3.96Å; F79-F212 AromaticContact CZ-CD2 3.69Å; F79-F212 HydrophobicContact CZ-CD2 3.69Å; F79-F212 HydrophobicContact CZ-CE1 4.23Å; F79-F212 AromaticContact CZ-CE2 4Å; F79-F212 HydrophobicContact CZ-CE2 4Å; F79-F212 AromaticContact CZ-CG 3.65Å; F79-F212 HydrophobicContact CZ-CG 3.65Å; F79-F212 HydrophobicContact CZ-CZ 4.22Å; I91-F212 HydrophobicContact CD1-CE1 4.08Å; I91-F212 HydrophobicContact CD1-CE2 4.33Å; I91-F212 HydrophobicContact CD1-CZ 3.56Å; I91-F212 HydrophobicContact CG1-CE1 4.01Å; I91-F212 HydrophobicContact CG1-CZ 4.02Å; I91-F212 HydrophobicContact CG2-CE1 3.98Å; I91-F212 HydrophobicContact CG2-CZ 4.2Å; W113-F212 HydrophobicContact CH2-CE2 4.05Å; F201-F212 HydrophobicContact CB-CE2 4.2Å; F201-F212 HydrophobicContact CD1-CE2 4.11Å; F201-F212 AromaticContact CD1-CZ 3.59Å; F201-F212 HydrophobicContact CD1-CZ 3.59Å; F201-F212 HydrophobicContact CE1-CZ 4.33Å; N202-F212 WeakPolarHBondContact O-CA 3.37Å; N202-F212 WeakPolarHBondContact O-CD2 3.2Å; L203-F212 HydrophobicContact CB-CD2 4.19Å; L203-F212 HydrophobicContact CD1-CB 3.86Å; L203-F212 HydrophobicContact CD1-CD2 3.99Å; L203-F212 HydrophobicContact CD1-CG 4.31Å; F212-V214 HydrophobicContact CD1-CG2 4.34Å; F212-V214 HydrophobicContact CE1-CG2 3.64Å; F212-V214 HydrophobicContact CZ-CG2 3.81Å; F212-E231 WeakPolarHBondContact O-CA 3.37Å; F212-C232 PolarHBondContact N-O 2.99Å; F212-C232 PolarHBondContact O-N 3.38Å
213N93.2Very high89.2Confident19 Ų1948.6 Ų48.610%0.10228%0.28CS..EExtended strand (participates in β ladder)trans-124.3144.7176.564.45.3000112.2F201 N202 Y230 E231F201-N213 WeakPolarHBondContact CA-O 3.21Å; N202-N213 WeakPolarHBondContact CA-OD1 3.3Å; N202-N213 WeakPolarHBondContact CB-OD1 3.47Å; N202-N213 PolarHBondContact N-O 2.9Å; N202-N213 PolarHBondContact N-OD1 3.32Å; N202-N213 PolarHBondContact ND2-ND2 3.37Å; N202-N213 PolarHBondContact ND2-OD1 2.98Å; N202-N213 PolarHBondContact O-N 3.2Å; N202-N213 PolarHBondContact O-OD1 3.5Å; N213-Y230 CarbonylContact C-O 3.54Å; N213-Y230 VanDerWaalsContact CA-O 3.25Å; N213-Y230 WeakPolarHBondContact CA-O 3.44Å; N213-E231 HydrophobicContact CB-CG 4.01Å
214V93.3Very high88.1Confident0 Ų057 Ų570%032%0.316CS..EExtended strand (participates in β ladder)trans-125.9119.8174.5-169.50000108.3L75 V93 L199 I200 F201 F212 Y230L75-V214 HydrophobicContact CD1-CG2 3.96Å; L75-V214 HydrophobicContact CD2-CG2 4.39Å; V93-V214 HydrophobicContact CG1-CG1 4.24Å; V93-V214 HydrophobicContact CG2-CB 4.01Å; V93-V214 HydrophobicContact CG2-CG1 3.98Å; V93-V214 HydrophobicContact CG2-CG2 4.21Å; L199-V214 HydrophobicContact CD2-CG1 4.13Å; I200-V214 CarbonylContact O-C 3.14Å; I200-V214 VanDerWaalsContact O-CA 3.3Å; I200-V214 WeakPolarHBondContact O-CA 3.3Å; F201-V214 HydrophobicContact CD1-CB 4.37Å; F201-V214 HydrophobicContact CD1-CG1 3.96Å; F201-V214 HydrophobicContact CD1-CG2 3.67Å; F201-V214 HydrophobicContact CE1-CB 4.41Å; F201-V214 HydrophobicContact CE1-CG1 3.7Å; F201-V214 HydrophobicContact CE1-CG2 3.81Å; F201-V214 HydrophobicContact CZ-CG1 4.13Å; F212-V214 HydrophobicContact CD1-CG2 4.34Å; F212-V214 HydrophobicContact CE1-CG2 3.64Å; F212-V214 HydrophobicContact CZ-CG2 3.81Å; V214-Y230 HydrophobicContact CB-CD2 4.49Å; V214-Y230 PolarHBondContact N-O 3.33Å; V214-Y230 PolarHBondContact O-N 2.98Å
215I92.4Very high87.2Confident34 Ų3457 Ų5717%0.17432%0.318CS..EExtended strand (participates in β ladder)trans-103.3120177-55.6170000107.7L199 I200 L227 Q228 V229L199-I215 WeakPolarHBondContact CA-O 3.29Å; I200-I215 HydrophobicContact CB-CB 4.29Å; I200-I215 PolarHBondContact N-O 3.15Å; I200-I215 PolarHBondContact O-N 2.99Å; I215-L227 HydrophobicContact CG2-CD1 4.32Å; I215-L227 HydrophobicContact CG2-CG 4.28Å; I215-Q228 WeakPolarHBondContact CA-O 3.22Å; I215-V229 HydrophobicContact CG1-CG1 4.37Å; I215-V229 HydrophobicContact CG1-CG2 4.46Å
216Y91.9Very high86.7Confident0 Ų059.8 Ų59.80%034%0.337CS..EExtended strand (participates in β ladder)trans-92.3119.4166.7169.8-105.7000109.2P96 K97 D198 L199 P218 D225 L227 Q228P96-Y216 HydrophobicContact CG-CD1 4.38Å; P96-Y216 HydrophobicContact CG-CE1 3.86Å; K97-Y216 VanDerWaalsContact CE-OH 3.29Å; K97-Y216 WeakPolarHBondContact CE-OH 3.49Å; D198-Y216 HydrophobicContact CB-CD2 4.34Å; D198-Y216 HydrophobicContact CB-CE2 4.31Å; D198-Y216 CarbonylContact O-C 3.48Å; D198-Y216 WeakPolarHBondContact O-CA 3.05Å; D198-Y216 VanDerWaalsContact OD2-CE2 3.29Å; D198-Y216 WeakPolarHBondContact OD2-CE2 3.17Å; L199-Y216 HydrophobicContact CD2-CD2 3.98Å; L199-Y216 HydrophobicContact CD2-CG 4.44Å; Y216-P218 HydrophobicContact CE1-CB 4.23Å; Y216-P218 HydrophobicContact CE1-CG 3.96Å; Y216-D225 PolarHBondContact OH-OD1 3.24Å; Y216-L227 WeakPolarHBondContact O-CA 3.38Å; Y216-Q228 HydrophobicContact CD1-CB 4.29Å; Y216-Q228 HydrophobicContact CD1-CG 4.35Å; Y216-Q228 PolarHBondContact N-O 2.79Å; Y216-Q228 PolarHBondContact O-N 2.96Å
217S90Very high86.4Confident56 Ų5663.4 Ų63.439%0.39235%0.354SS..  trans-128.395.5-178.8-171.90000110.2D198D198-S217 WeakPolarHBondContact CB-O 3.38Å; D198-S217 PolarHBondContact O-N 3.45Å
218P86.2Confident86.2Confident6 Ų663 Ų634%0.03935%0.346CS..  trans-69.8143.3179.626.2-30.3000111.2Y216 Q220 D225Y216-P218 HydrophobicContact CE1-CB 4.23Å; Y216-P218 HydrophobicContact CE1-CG 3.96Å; P218-Q220 VanDerWaalsContact C-N 3.25Å; P218-Q220 PolarHBondContact O-N 2.8Å; P218-D225 HydrophobicContact CB-CB 4.19Å; P218-D225 HydrophobicContact CG-CB 4.02Å; P218-D225 WeakPolarHBondContact CG-O 3.41Å
219A81.7Confident86.2Confident102 Ų10265 Ų6584%0.84336%0.357SS*.SBendtrans-60-30.8-178.200000114.4
220Q80.9Confident86.1Confident166 Ų16661.9 Ų61.978%0.77634%0.343SS*.SBendtrans-127.4102.1171.8-70.7-173.52.300108.1P218 S222P218-Q220 VanDerWaalsContact C-N 3.25Å; P218-Q220 PolarHBondContact O-N 2.8Å; Q220-S222 PolarHBondContact O-N 3.43Å
221P73.9Confident86Confident106 Ų10667.3 Ų67.369%0.68837%0.368SS*.  trans-63.5131.8177.4-1830.3000109.9D225P221-D225 VanDerWaalsContact CA-O 3.29Å; P221-D225 WeakPolarHBondContact CA-O 3.14Å
222S74.9Confident86.1Confident61 Ų6166.6 Ų66.643%0.42737%0.365SS..  trans-127.1169.9168.871.10000109.1Q220 K224 D225 S226Q220-S222 PolarHBondContact O-N 3.43Å; S222-K224 PolarHBondContact O-N 2.77Å; S222-K224 PolarHBondContact OG-N 3.45Å; S222-D225 PolarHBondContact N-O 2.82Å; S222-D225 CarbonylContact O-C 3.16Å; S222-D225 PolarHBondContact O-N 3.37Å; S222-D225 VanDerWaalsContact O-N 3.08Å; S222-D225 PolarHBondContact OG-N 3.24Å; S222-D225 VanDerWaalsContact OG-N 3.15Å; S222-S226 PolarHBondContact O-N 3.08Å
223E68.4Low86.2Confident202 Ų20269.8 Ų69.894%0.94438%0.382SS*.SBendtrans-54.7-28174.8-74-174.9165.400112.9
224K68.6Low86.3Confident191 Ų19169.7 Ų69.783%0.8338%0.383SS*.SBendtrans-91.4-25178.1-67.7-174.3179.5-179.80114S222S222-K224 PolarHBondContact O-N 2.77Å; S222-K224 PolarHBondContact OG-N 3.45Å
225D76.1Confident86.4Confident32 Ų3274.5 Ų74.517%0.17141%0.405CS..SBendtrans-119.972.3179.9-92.4-37.4000108.2K97 Y216 P218 P221 S222K97-D225 WeakPolarHBondContact CE-OD2 3.42Å; K97-D225 IonicContact NZ-OD2 2.85Å; K97-D225 PolarHBondContact NZ-OD2 2.92Å; Y216-D225 PolarHBondContact OH-OD1 3.24Å; P218-D225 HydrophobicContact CB-CB 4.19Å; P218-D225 HydrophobicContact CG-CB 4.02Å; P218-D225 WeakPolarHBondContact CG-O 3.41Å; P221-D225 VanDerWaalsContact CA-O 3.29Å; P221-D225 WeakPolarHBondContact CA-O 3.14Å; S222-D225 PolarHBondContact N-O 2.82Å; S222-D225 CarbonylContact O-C 3.16Å; S222-D225 PolarHBondContact O-N 3.37Å; S222-D225 VanDerWaalsContact O-N 3.08Å; S222-D225 PolarHBondContact OG-N 3.24Å; S222-D225 VanDerWaalsContact OG-N 3.15Å
226S83Confident86.5Confident58 Ų5872.9 Ų72.941%0.40640%0.397SS..  trans-91.7166.4173.661.90000111.1S222 Q228S222-S226 PolarHBondContact O-N 3.08Å; S226-Q228 PolarHBondContact O-N 3.49Å
227L89Confident86.6Confident107 Ų10776.3 Ų76.356%0.5642%0.419SS*.  trans-59.7127.7171.7-179.3148.3000109.5I215 Y216 V229I215-L227 HydrophobicContact CG2-CD1 4.32Å; I215-L227 HydrophobicContact CG2-CG 4.28Å; Y216-L227 WeakPolarHBondContact O-CA 3.38Å; L227-V229 HydrophobicContact CD2-CG2 3.6Å
228Q90.9Very high86.7Confident49 Ų4975.2 Ų75.223%0.22941%0.406CS..EExtended strand (participates in β ladder)trans-120.4136.8176.8-66.4170.2-14.700109.2I215 Y216 S226 Y230I215-Q228 WeakPolarHBondContact CA-O 3.22Å; Y216-Q228 HydrophobicContact CD1-CB 4.29Å; Y216-Q228 HydrophobicContact CD1-CG 4.35Å; Y216-Q228 PolarHBondContact N-O 2.79Å; Y216-Q228 PolarHBondContact O-N 2.96Å; S226-Q228 PolarHBondContact O-N 3.49Å; Q228-Y230 HydrophobicContact CB-CE2 3.95Å; Q228-Y230 PolarHBondContact OE1-OH 3.45Å
229V92.9Very high87.1Confident70 Ų7074.9 Ų74.942%0.42440%0.404SS..EExtended strand (participates in β ladder)trans-118.4121.2175.1-171.30000107.8I215 L227 E231I215-V229 HydrophobicContact CG1-CG1 4.37Å; I215-V229 HydrophobicContact CG1-CG2 4.46Å; L227-V229 HydrophobicContact CD2-CG2 3.6Å; V229-E231 HydrophobicContact CG1-CG 3.73Å
230Y94.6Very high87.7Confident17 Ų1771.5 Ų71.57%0.06738%0.376CS..EExtended strand (participates in β ladder)trans-107.3128.4174.3-55.5-75.8000108.5N74 V93 R94 N213 V214 Q228N74-Y230 HydrophobicContact CB-CD1 3.51Å; N74-Y230 HydrophobicContact CB-CE1 3.41Å; N74-Y230 VanDerWaalsContact CB-CE1 3.41Å; V93-Y230 HydrophobicContact CG2-CD2 3.61Å; V93-Y230 HydrophobicContact CG2-CE2 4.12Å; V93-Y230 HydrophobicContact CG2-CG 3.96Å; R94-Y230 HydrophobicContact CB-CE1 4.19Å; N213-Y230 CarbonylContact C-O 3.54Å; N213-Y230 VanDerWaalsContact CA-O 3.25Å; N213-Y230 WeakPolarHBondContact CA-O 3.44Å; V214-Y230 HydrophobicContact CB-CD2 4.49Å; V214-Y230 PolarHBondContact N-O 3.33Å; V214-Y230 PolarHBondContact O-N 2.98Å; Q228-Y230 HydrophobicContact CB-CE2 3.95Å; Q228-Y230 PolarHBondContact OE1-OH 3.45Å
231E95.1Very high88.3Confident114 Ų11466.9 Ų66.953%0.53336%0.356SS..EExtended strand (participates in β ladder)trans-133.8138.8-175.8-54.1-170.4145.400110.2D69 F212 N213 V229D69-E231 WeakPolarHBondContact CA-O 3.45Å; D69-E231 WeakPolarHBondContact CB-O 3.22Å; F212-E231 WeakPolarHBondContact O-CA 3.37Å; N213-E231 HydrophobicContact CB-CG 4.01Å; V229-E231 HydrophobicContact CG1-CG 3.73Å
232C96.5Very high89.4Confident7 Ų761.8 Ų61.85%0.04732%0.324CS..EExtended strand (participates in β ladder)trans-141.7153.7168.463.20000110.1M67 T68 L75 C77 F212M67-C232 HydrophobicContact CB-CB 4.04Å; M67-C232 VanDerWaalsContact CE-O 3.29Å; M67-C232 WeakPolarHBondContact CE-O 3.23Å; T68-C232 WeakPolarHBondContact O-CB 3.32Å; L75-C232 HydrophobicContact CD2-CB 4.08Å; L75-C232 VanDerWaalsContact CD2-SG 3.58Å; C77-C232 PolarHBondContact SG-SG 2.88Å; F212-C232 PolarHBondContact N-O 2.99Å; F212-C232 PolarHBondContact O-N 3.38Å
233D96.2Very high90.4Very high68 Ų6860.2 Ų60.236%0.36431%0.31SS..EExtended strand (participates in β ladder)trans-140.1159.2178.575.985.8000111.5K209 L210K209-D233 HydrophobicContact CB-CB 4.46Å; K209-D233 HydrophobicContact CD-CB 4.33Å; K209-D233 WeakPolarHBondContact CD-OD1 3.19Å; K209-D233 WeakPolarHBondContact CE-OD1 3.45Å; K209-D233 IonicContact NZ-OD1 3.6Å; K209-D233 PolarHBondContact NZ-OD1 3.4Å; K209-D233 IonicContact NZ-OD2 2.7Å; K209-D233 PolarHBondContact NZ-OD2 2.93Å; L210-D233 CarbonylContact O-C 3.58Å; L210-D233 VanDerWaalsContact O-CA 3.22Å; L210-D233 WeakPolarHBondContact O-CA 3.35Å
234C96.4Very high91.8Very high18 Ų1858.5 Ų58.512%0.12230%0.296CS..EExtended strand (participates in β ladder)trans-145.8148.7166.762.40000111.4M67 K209 L210M67-C234 HydrophobicContact CG-CB 3.65Å; M67-C234 WeakPolarHBondContact CG-SG 3.49Å; M67-C234 HydrophobicContact SD-CB 4.48Å; M67-C234 VanDerWaalsContact SD-SG 3.64Å; K209-C234 CarbonylContact C-O 3.55Å; K209-C234 WeakPolarHBondContact CA-O 3.33Å; L210-C234 PolarHBondContact N-O 3.48Å; L210-C234 PolarHBondContact O-N 3.44Å
235H95.7Very high93.1Very high101 Ų10150.5 Ų50.547%0.46826%0.262SS..EExtended strand (participates in β ladder)trans-70.7132.3171.5-174-94.2000111.4S208S208-H235 WeakPolarHBondContact CB-NE2 3.19Å; S208-H235 PolarHBondContact OG-CD2 2.94Å; S208-H235 PolarHBondContact OG-NE2 3.16Å; S208-H235 VanDerWaalsContact OG-NE2 3.15Å
236V94.3Very high94.2Very high0 Ų049 Ų490%025%0.254CS..  trans-115.6110.3174.3178.10000108.2F65 S208 L210 W238 F239 A240F65-V236 HydrophobicContact CD1-CG2 4.03Å; F65-V236 HydrophobicContact CE1-CB 4.19Å; F65-V236 HydrophobicContact CE1-CG1 4.08Å; F65-V236 HydrophobicContact CE1-CG2 3.8Å; F65-V236 HydrophobicContact CE2-CG1 4.49Å; F65-V236 HydrophobicContact CG-CG2 4.49Å; F65-V236 HydrophobicContact CZ-CB 4.36Å; F65-V236 HydrophobicContact CZ-CG1 3.77Å; F65-V236 HydrophobicContact CZ-CG2 4.07Å; S208-V236 PolarHBondContact O-N 3.04Å; L210-V236 HydrophobicContact CB-CG2 3.9Å; V236-W238 VanDerWaalsContact C-N 3.34Å; V236-W238 VanDerWaalsContact CG1-CD1 3.49Å; V236-W238 HydrophobicContact CG1-CD2 4.2Å; V236-W238 HydrophobicContact CG1-CG 4.05Å; V236-W238 VanDerWaalsContact CG1-NE1 3.26Å; V236-W238 PolarHBondContact O-N 2.75Å; V236-F239 HydrophobicContact CB-CB 4.3Å; V236-F239 HydrophobicContact CB-CD1 4.36Å; V236-F239 HydrophobicContact CB-CD2 3.4Å; V236-F239 HydrophobicContact CB-CE2 3.64Å; V236-F239 HydrophobicContact CB-CG 3.76Å; V236-F239 HydrophobicContact CB-CZ 4.24Å; V236-F239 HydrophobicContact CG1-CD1 3.95Å; V236-F239 HydrophobicContact CG1-CD2 3.88Å; V236-F239 HydrophobicContact CG1-CE1 4.08Å; V236-F239 HydrophobicContact CG1-CE2 3.96Å; V236-F239 HydrophobicContact CG1-CG 3.83Å; V236-F239 HydrophobicContact CG1-CZ 4.05Å; V236-F239 HydrophobicContact CG2-CD2 3.85Å; V236-F239 HydrophobicContact CG2-CE2 3.59Å; V236-F239 HydrophobicContact CG2-CZ 4.25Å; V236-F239 WeakPolarHBondContact O-CB 3.07Å; V236-F239 PolarHBondContact O-N 2.78Å; V236-A240 PolarHBondContact O-N 3Å
237P92.7Very high94.9Very high71 Ų7148.3 Ų48.346%0.46125%0.247SC..Hα-helixtrans-54.9-42.9-171-29.436000114.9F239 A240 D241P237-F239 VanDerWaalsContact C-N 3.26Å; P237-F239 PolarHBondContact O-N 2.77Å; P237-A240 WeakPolarHBondContact O-CB 2.82Å; P237-A240 PolarHBondContact O-N 3.1Å; P237-A240 VanDerWaalsContact O-N 3.08Å; P237-D241 PolarHBondContact O-N 2.91Å; P237-D241 VanDerWaalsContact O-N 3.09Å
238W92.3Very high95.3Very high33 Ų3344.9 Ų44.913%0.12523%0.233CC..Hα-helixtrans-71.7-20-178.565.9-99000113.1P48 G83 V118 V236 L242P48-W238 HydrophobicContact CG-CH2 4.09Å; P48-W238 HydrophobicContact CG-CZ3 4.26Å; G83-W238 WeakPolarHBondContact O-CZ2 3.5Å; V118-W238 HydrophobicContact CG1-CH2 4.01Å; V118-W238 HydrophobicContact CG1-CZ3 4.01Å; V118-W238 HydrophobicContact CG2-CH2 4.02Å; V118-W238 HydrophobicContact CG2-CZ3 4.41Å; V236-W238 VanDerWaalsContact C-N 3.34Å; V236-W238 VanDerWaalsContact CG1-CD1 3.49Å; V236-W238 HydrophobicContact CG1-CD2 4.2Å; V236-W238 HydrophobicContact CG1-CG 4.05Å; V236-W238 VanDerWaalsContact CG1-NE1 3.26Å; V236-W238 PolarHBondContact O-N 2.75Å; W238-L242 HydrophobicContact CE3-CD1 3.64Å; W238-L242 HydrophobicContact CE3-CG 4.45Å; W238-L242 HydrophobicContact CZ3-CD1 3.68Å; W238-L242 WeakPolarHBondContact O-CG 3.41Å; W238-L242 PolarHBondContact O-N 2.92Å; W238-L242 VanDerWaalsContact O-N 3.1Å
239F94.9Very high95.7Very high0 Ų042.6 Ų42.60%022%0.222CC..Hα-helixtrans-66.2-43.5167.6-64.5-15.5000111.1L81 L115 V118 F170 I205 L210 V236 P237 D241 L242 I243L81-F239 HydrophobicContact CD1-CZ 4.39Å; L115-F239 HydrophobicContact CD1-CZ 4.14Å; V118-F239 HydrophobicContact CG2-CE1 4.23Å; F170-F239 HydrophobicContact CD2-CB 4.16Å; F170-F239 HydrophobicContact CD2-CG 4.45Å; F170-F239 HydrophobicContact CE2-CB 3.85Å; F170-F239 AromaticContact CE2-CD1 3.65Å; F170-F239 HydrophobicContact CE2-CD1 3.65Å; F170-F239 HydrophobicContact CE2-CE1 4.4Å; F170-F239 AromaticContact CE2-CG 3.85Å; F170-F239 HydrophobicContact CE2-CG 3.85Å; F170-F239 HydrophobicContact CZ-CD1 4.17Å; I205-F239 HydrophobicContact CB-CE2 4.49Å; I205-F239 HydrophobicContact CD1-CD1 4.25Å; I205-F239 HydrophobicContact CD1-CD2 4.3Å; I205-F239 HydrophobicContact CD1-CE1 3.63Å; I205-F239 HydrophobicContact CD1-CE2 3.77Å; I205-F239 HydrophobicContact CD1-CZ 3.41Å; I205-F239 VanDerWaalsContact CD1-CZ 3.41Å; I205-F239 HydrophobicContact CG1-CD2 4.33Å; I205-F239 HydrophobicContact CG1-CE1 4.46Å; I205-F239 HydrophobicContact CG1-CE2 3.7Å; I205-F239 HydrophobicContact CG1-CZ 3.79Å; I205-F239 HydrophobicContact CG2-CD2 3.89Å; I205-F239 HydrophobicContact CG2-CE2 4.12Å; I205-F239 HydrophobicContact CG2-CG 4.44Å; L210-F239 HydrophobicContact CB-CE2 4.19Å; L210-F239 HydrophobicContact CD1-CE2 4.48Å; V236-F239 HydrophobicContact CB-CB 4.3Å; V236-F239 HydrophobicContact CB-CD1 4.36Å; V236-F239 HydrophobicContact CB-CD2 3.4Å; V236-F239 HydrophobicContact CB-CE2 3.64Å; V236-F239 HydrophobicContact CB-CG 3.76Å; V236-F239 HydrophobicContact CB-CZ 4.24Å; V236-F239 HydrophobicContact CG1-CD1 3.95Å; V236-F239 HydrophobicContact CG1-CD2 3.88Å; V236-F239 HydrophobicContact CG1-CE1 4.08Å; V236-F239 HydrophobicContact CG1-CE2 3.96Å; V236-F239 HydrophobicContact CG1-CG 3.83Å; V236-F239 HydrophobicContact CG1-CZ 4.05Å; V236-F239 HydrophobicContact CG2-CD2 3.85Å; V236-F239 HydrophobicContact CG2-CE2 3.59Å; V236-F239 HydrophobicContact CG2-CZ 4.25Å; V236-F239 WeakPolarHBondContact O-CB 3.07Å; V236-F239 PolarHBondContact O-N 2.78Å; P237-F239 VanDerWaalsContact C-N 3.26Å; P237-F239 PolarHBondContact O-N 2.77Å; F239-D241 VanDerWaalsContact C-N 3.31Å; F239-D241 PolarHBondContact O-N 3.15Å; F239-L242 PolarHBondContact O-N 2.92Å; F239-I243 WeakPolarHBondContact O-CG1 3.44Å; F239-I243 PolarHBondContact O-N 2.85Å
240A94.6Very high96Very high31 Ų3139.8 Ų39.826%0.25620%0.204SC..Hα-helixtrans-61.3-41.7176.300000111.5V236 P237 I243 Y244V236-A240 PolarHBondContact O-N 3Å; P237-A240 WeakPolarHBondContact O-CB 2.82Å; P237-A240 PolarHBondContact O-N 3.1Å; P237-A240 VanDerWaalsContact O-N 3.08Å; A240-I243 PolarHBondContact O-N 2.93Å; A240-Y244 WeakPolarHBondContact O-CB 3.3Å; A240-Y244 PolarHBondContact O-N 3.15Å
241D94.4Very high96.1Very high68 Ų6845 Ų4536%0.36423%0.229SC..Hα-helixtrans-59.1-47175.8-77.4-12.5000112.4K46 P237 F239 Y244 I245K46-D241 HydrophobicContact CD-CB 4.05Å; K46-D241 IonicContact NZ-OD1 2.65Å; K46-D241 IonicContact NZ-OD2 2.64Å; K46-D241 PolarHBondContact NZ-OD2 3.24Å; P237-D241 PolarHBondContact O-N 2.91Å; P237-D241 VanDerWaalsContact O-N 3.09Å; F239-D241 VanDerWaalsContact C-N 3.31Å; F239-D241 PolarHBondContact O-N 3.15Å; D241-Y244 PolarHBondContact O-N 3.07Å; D241-I245 VanDerWaalsContact O-CG1 3.24Å; D241-I245 WeakPolarHBondContact O-CG1 3.33Å; D241-I245 PolarHBondContact O-N 2.77Å
242L95.6Very high96.3Very high0 Ų041.2 Ų41.20%021%0.212CC..Hα-helixtrans-62.6-45.9178.2-70.9175.1000111.3K46 L47 L121 F170 W238 F239 Y244 I245 V246K46-L242 HydrophobicContact CB-CD2 3.91Å; L47-L242 HydrophobicContact CD2-CD1 4.33Å; L47-L242 HydrophobicContact CD2-CD2 4.2Å; L121-L242 HydrophobicContact CD1-CB 4.46Å; F170-L242 HydrophobicContact CE2-CB 4.45Å; F170-L242 HydrophobicContact CE2-CD1 4.15Å; F170-L242 HydrophobicContact CZ-CD1 4.03Å; W238-L242 HydrophobicContact CE3-CD1 3.64Å; W238-L242 HydrophobicContact CE3-CG 4.45Å; W238-L242 HydrophobicContact CZ3-CD1 3.68Å; W238-L242 WeakPolarHBondContact O-CG 3.41Å; W238-L242 PolarHBondContact O-N 2.92Å; W238-L242 VanDerWaalsContact O-N 3.1Å; F239-L242 PolarHBondContact O-N 2.92Å; L242-Y244 VanDerWaalsContact C-N 3.31Å; L242-Y244 PolarHBondContact O-N 2.69Å; L242-I245 PolarHBondContact O-N 2.87Å; L242-V246 WeakPolarHBondContact O-CG2 3.48Å; L242-V246 PolarHBondContact O-N 2.92Å
243I96.3Very high96.3Very high27 Ų2740.9 Ų40.914%0.13821%0.21CC..Hα-helixtrans-59.5-44176.6-68.5163.2000110.8F170 S207 F239 A240 T247F170-I243 HydrophobicContact CB-CD1 4.08Å; F170-I243 HydrophobicContact CB-CG1 3.91Å; F170-I243 HydrophobicContact CD2-CD1 4.01Å; F170-I243 HydrophobicContact CD2-CG1 3.86Å; F170-I243 HydrophobicContact CG-CG1 4.29Å; S207-I243 WeakPolarHBondContact O-CD1 3.2Å; F239-I243 WeakPolarHBondContact O-CG1 3.44Å; F239-I243 PolarHBondContact O-N 2.85Å; A240-I243 PolarHBondContact O-N 2.93Å; I243-T247 VanDerWaalsContact O-CB 3.23Å; I243-T247 WeakPolarHBondContact O-CB 3.26Å; I243-T247 PolarHBondContact O-N 3.34Å; I243-T247 PolarHBondContact O-OG1 2.95Å
244Y96.9Very high96.3Very high167 Ų16740.7 Ų40.766%0.65521%0.207SC*.Hα-helixtrans-60.7-48.7178.5173.8-97.1000111.6A240 D241 L242 V246 T247 S248A240-Y244 WeakPolarHBondContact O-CB 3.3Å; A240-Y244 PolarHBondContact O-N 3.15Å; D241-Y244 PolarHBondContact O-N 3.07Å; L242-Y244 VanDerWaalsContact C-N 3.31Å; L242-Y244 PolarHBondContact O-N 2.69Å; Y244-V246 PolarHBondContact O-N 3.45Å; Y244-T247 PolarHBondContact O-N 2.86Å; Y244-S248 WeakPolarHBondContact O-CB 3.13Å; Y244-S248 PolarHBondContact O-N 3.41Å
245I97.3Very high96.3Very high23 Ų2345 Ų4512%0.11823%0.229CC..Hα-helixtrans-61.5-47.6-179.8-66.4165.4000110.8I39 C43 K46 D241 L242 T247 S248 A249I39-I245 HydrophobicContact CG2-CG2 3.7Å; I39-I245 WeakPolarHBondContact O-CG2 3.47Å; C43-I245 HydrophobicContact CB-CG2 3.6Å; K46-I245 HydrophobicContact CD-CD1 3.79Å; D241-I245 VanDerWaalsContact O-CG1 3.24Å; D241-I245 WeakPolarHBondContact O-CG1 3.33Å; D241-I245 PolarHBondContact O-N 2.77Å; L242-I245 PolarHBondContact O-N 2.87Å; I245-T247 VanDerWaalsContact C-N 3.34Å; I245-T247 PolarHBondContact O-N 2.74Å; I245-S248 WeakPolarHBondContact O-CB 3.25Å; I245-S248 PolarHBondContact O-N 3.02Å; I245-A249 PolarHBondContact O-N 3.25Å
246V98Very high96.3Very high1 Ų140.8 Ų40.81%0.00621%0.209CC..Hα-helixtrans-63.9-40.5178.3176.20000110.9V125 L163 A166 R167 L242 Y244 S248 A249 I250V125-V246 HydrophobicContact CG2-CG2 4.26Å; L163-V246 VanDerWaalsContact O-CG1 3.3Å; L163-V246 WeakPolarHBondContact O-CG1 3.14Å; A166-V246 HydrophobicContact CB-CG1 4.09Å; R167-V246 HydrophobicContact CB-CG1 3.88Å; L242-V246 WeakPolarHBondContact O-CG2 3.48Å; L242-V246 PolarHBondContact O-N 2.92Å; Y244-V246 PolarHBondContact O-N 3.45Å; V246-S248 PolarHBondContact O-N 2.84Å; V246-A249 WeakPolarHBondContact O-CB 3.29Å; V246-A249 PolarHBondContact O-N 2.83Å; V246-I250 HydrophobicContact CG1-CD1 4.15Å; V246-I250 WeakPolarHBondContact O-CG1 3.17Å; V246-I250 PolarHBondContact O-N 2.86Å
247T98.1Very high96.2Very high42 Ų4241.3 Ų41.326%0.25821%0.212SC..Hα-helixtrans-63.8-41177.3-59.40000111.7I243 Y244 I245 A249 I250 Q251I243-T247 VanDerWaalsContact O-CB 3.23Å; I243-T247 WeakPolarHBondContact O-CB 3.26Å; I243-T247 PolarHBondContact O-N 3.34Å; I243-T247 PolarHBondContact O-OG1 2.95Å; Y244-T247 PolarHBondContact O-N 2.86Å; I245-T247 VanDerWaalsContact C-N 3.34Å; I245-T247 PolarHBondContact O-N 2.74Å; T247-A249 VanDerWaalsContact C-N 3.33Å; T247-A249 PolarHBondContact O-N 2.7Å; T247-I250 PolarHBondContact O-N 2.95Å; T247-Q251 WeakPolarHBondContact O-CG 3.27Å; T247-Q251 PolarHBondContact O-N 2.88Å
248S98.2Very high96.2Very high36 Ų3642.5 Ų42.525%0.25221%0.211SC..Hα-helixtrans-61.1-42.2173.9-173.40000111.7Y244 I245 V246 I250 Q251 L252Y244-S248 WeakPolarHBondContact O-CB 3.13Å; Y244-S248 PolarHBondContact O-N 3.41Å; I245-S248 WeakPolarHBondContact O-CB 3.25Å; I245-S248 PolarHBondContact O-N 3.02Å; V246-S248 PolarHBondContact O-N 2.84Å; S248-I250 PolarHBondContact O-N 2.79Å; S248-Q251 PolarHBondContact O-N 3.49Å; S248-L252 WeakPolarHBondContact O-CB 3.43Å; S248-L252 PolarHBondContact O-N 3.3Å
249A98.6Very high96Very high0 Ų044.8 Ų44.80%022%0.222CC..Hα-helixtrans-62.2-40.517500000112.8L36 I39 L40 L163 I245 V246 T247 T253L36-A249 HydrophobicContact CD1-CB 3.65Å; I39-A249 HydrophobicContact CG2-CB 3.89Å; L40-A249 HydrophobicContact CD2-CB 3.98Å; L163-A249 HydrophobicContact CD1-CB 3.79Å; L163-A249 HydrophobicContact CD2-CB 4.03Å; I245-A249 PolarHBondContact O-N 3.25Å; V246-A249 WeakPolarHBondContact O-CB 3.29Å; V246-A249 PolarHBondContact O-N 2.83Å; T247-A249 VanDerWaalsContact C-N 3.33Å; T247-A249 PolarHBondContact O-N 2.7Å; A249-T253 WeakPolarHBondContact O-CB 3.1Å; A249-T253 PolarHBondContact O-N 2.82Å; A249-T253 PolarHBondContact O-OG1 2.8Å
250I98.5Very high95.6Very high12 Ų1245 Ų456%0.06222%0.223CC..Hα-helixtrans-62.3-48.9174.6-67.9166.6000110.1L163 F164 R167 V246 T247 S248 L252 T253 Q254L163-I250 HydrophobicContact CB-CD1 4.32Å; L163-I250 HydrophobicContact CB-CG1 3.57Å; L163-I250 HydrophobicContact CD1-CG1 4.47Å; F164-I250 HydrophobicContact CD1-CD1 3.89Å; F164-I250 HydrophobicContact CD1-CG2 4.42Å; F164-I250 HydrophobicContact CE1-CD1 4.15Å; F164-I250 HydrophobicContact CE1-CG2 3.73Å; F164-I250 HydrophobicContact CE2-CG2 4.29Å; F164-I250 HydrophobicContact CG-CD1 4.47Å; F164-I250 HydrophobicContact CZ-CG2 3.65Å; R167-I250 HydrophobicContact CB-CD1 3.98Å; R167-I250 HydrophobicContact CG-CD1 4.45Å; V246-I250 HydrophobicContact CG1-CD1 4.15Å; V246-I250 WeakPolarHBondContact O-CG1 3.17Å; V246-I250 PolarHBondContact O-N 2.86Å; T247-I250 PolarHBondContact O-N 2.95Å; S248-I250 PolarHBondContact O-N 2.79Å; I250-L252 PolarHBondContact O-N 2.82Å; I250-T253 PolarHBondContact O-N 3.06Å; I250-Q254 WeakPolarHBondContact O-CB 3.29Å; I250-Q254 PolarHBondContact O-N 2.87Å
251Q98.1Very high95.2Very high126 Ų12645.3 Ų45.359%0.58922%0.223SC*.Hα-helixtrans-59.5-45.5179.8-73173-8.500111.8T247 S248 T253 Q254 L255T247-Q251 WeakPolarHBondContact O-CG 3.27Å; T247-Q251 PolarHBondContact O-N 2.88Å; S248-Q251 PolarHBondContact O-N 3.49Å; Q251-T253 VanDerWaalsContact C-N 3.31Å; Q251-T253 PolarHBondContact O-N 2.85Å; Q251-Q254 PolarHBondContact O-N 2.72Å; Q251-L255 WeakPolarHBondContact O-CB 3.29Å; Q251-L255 PolarHBondContact O-N 3.42Å
252L98.2Very high94.7Very high34 Ų3445 Ų4518%0.17822%0.224CC..Hα-helixtrans-59.7-43.1175.8177.763.5000111.7Y32 K35 L36 I39 S248 I250 F256Y32-L252 HydrophobicContact CD2-CD1 4.36Å; Y32-L252 HydrophobicContact CD2-CD2 4.3Å; Y32-L252 HydrophobicContact CD2-CG 3.9Å; Y32-L252 HydrophobicContact CE2-CD2 4.49Å; Y32-L252 HydrophobicContact CE2-CG 4.08Å; K35-L252 HydrophobicContact CB-CD2 3.76Å; L36-L252 HydrophobicContact CB-CD2 4.03Å; L36-L252 HydrophobicContact CD1-CD2 4.46Å; I39-L252 HydrophobicContact CD1-CD2 3.72Å; S248-L252 WeakPolarHBondContact O-CB 3.43Å; S248-L252 PolarHBondContact O-N 3.3Å; I250-L252 PolarHBondContact O-N 2.82Å; L252-F256 PolarHBondContact O-N 2.87Å; L252-F256 VanDerWaalsContact O-N 3.1Å
253T98Very high93.9Very high0 Ų047.6 Ų47.60%024%0.237CC..Hα-helixtrans-66.7-42.1179-610000111.9Y32 T156 R160 A249 I250 Q251 F256 I257Y32-T253 VanDerWaalsContact OH-CG2 3.27Å; Y32-T253 WeakPolarHBondContact OH-CG2 3.16Å; Y32-T253 PolarHBondContact OH-OG1 2.92Å; T156-T253 HydrophobicContact CG2-CG2 3.83Å; R160-T253 HydrophobicContact CB-CG2 3.64Å; R160-T253 HydrophobicContact CG-CG2 4.11Å; A249-T253 WeakPolarHBondContact O-CB 3.1Å; A249-T253 PolarHBondContact O-N 2.82Å; A249-T253 PolarHBondContact O-OG1 2.8Å; I250-T253 PolarHBondContact O-N 3.06Å; Q251-T253 VanDerWaalsContact C-N 3.31Å; Q251-T253 PolarHBondContact O-N 2.85Å; T253-F256 PolarHBondContact O-N 2.87Å; T253-I257 HydrophobicContact CG2-CD1 4.19Å; T253-I257 WeakPolarHBondContact O-CG1 3.29Å; T253-I257 PolarHBondContact O-N 2.94Å
254Q96.2Very high92.9Very high64 Ų6449.5 Ų49.530%0.29925%0.245SC..Hα-helixtrans-63.8-45.1176.8-177.46029.800111.6I250 Q251 F256 I257 E258I250-Q254 WeakPolarHBondContact O-CB 3.29Å; I250-Q254 PolarHBondContact O-N 2.87Å; Q251-Q254 PolarHBondContact O-N 2.72Å; Q254-F256 VanDerWaalsContact C-N 3.28Å; Q254-F256 PolarHBondContact O-N 3.5Å; Q254-I257 WeakPolarHBondContact O-CB 3.38Å; Q254-I257 PolarHBondContact O-N 3.06Å; Q254-I257 VanDerWaalsContact O-N 3.16Å; Q254-E258 WeakPolarHBondContact CG-OE1 3.4Å; Q254-E258 PolarHBondContact NE2-OE1 3.5Å; Q254-E258 WeakPolarHBondContact O-CG 2.99Å; Q254-E258 PolarHBondContact O-N 3.17Å
255L95.5Very high91.6Very high110 Ų11046.9 Ų46.958%0.57624%0.242SC*.Hα-helixtrans-58.6-41.1176-179.565.4000111.8Q251 E258 K259Q251-L255 WeakPolarHBondContact O-CB 3.29Å; Q251-L255 PolarHBondContact O-N 3.42Å; L255-E258 PolarHBondContact O-N 3.23Å; L255-K259 WeakPolarHBondContact O-CB 3.42Å; L255-K259 PolarHBondContact O-N 3.33Å
256F95.3Very high90.1Very high12 Ų1253.4 Ų53.45%0.05327%0.265CS..Hα-helixtrans-65.1-45.6175.8179.9-105.4000111.8E28 S29 Y32 L152 T156 L252 T253 Q254 E258 K259 V260E28-F256 HydrophobicContact CB-CE2 4.48Å; S29-F256 WeakPolarHBondContact OG-CZ 3.46Å; Y32-F256 HydrophobicContact CD1-CB 4.3Å; Y32-F256 AromaticContact CD1-CD1 3.5Å; Y32-F256 HydrophobicContact CD1-CD1 3.5Å; Y32-F256 VanDerWaalsContact CD1-CD1 3.5Å; Y32-F256 HydrophobicContact CD1-CD2 4.02Å; Y32-F256 AromaticContact CD1-CE1 3.73Å; Y32-F256 HydrophobicContact CD1-CE1 3.73Å; Y32-F256 HydrophobicContact CD1-CE2 4.22Å; Y32-F256 AromaticContact CD1-CG 3.66Å; Y32-F256 HydrophobicContact CD1-CG 3.66Å; Y32-F256 HydrophobicContact CD1-CZ 4.09Å; Y32-F256 HydrophobicContact CD2-CB 3.69Å; Y32-F256 HydrophobicContact CD2-CD1 4.4Å; Y32-F256 HydrophobicContact CD2-CD2 4.44Å; Y32-F256 AromaticContact CD2-CG 3.93Å; Y32-F256 HydrophobicContact CD2-CG 3.93Å; Y32-F256 AromaticContact CE1-CD1 3.67Å; Y32-F256 HydrophobicContact CE1-CD1 3.67Å; Y32-F256 HydrophobicContact CE1-CE1 4.04Å; Y32-F256 HydrophobicContact CE1-CG 4.15Å; Y32-F256 HydrophobicContact CE2-CB 4.03Å; Y32-F256 HydrophobicContact CE2-CG 4.41Å; Y32-F256 HydrophobicContact CG-CB 3.84Å; Y32-F256 AromaticContact CG-CD1 3.89Å; Y32-F256 HydrophobicContact CG-CD1 3.89Å; Y32-F256 AromaticContact CG-CD2 3.75Å; Y32-F256 HydrophobicContact CG-CD2 3.75Å; Y32-F256 HydrophobicContact CG-CE1 4.42Å; Y32-F256 HydrophobicContact CG-CE2 4.28Å; Y32-F256 AromaticContact CG-CG 3.53Å; Y32-F256 HydrophobicContact CG-CG 3.53Å; L152-F256 HydrophobicContact CD1-CE1 4.49Å; L152-F256 HydrophobicContact CD2-CZ 4.21Å; T156-F256 HydrophobicContact CG2-CD1 3.69Å; T156-F256 HydrophobicContact CG2-CE1 4.17Å; T156-F256 WeakPolarHBondContact OG1-CE1 3.32Å; L252-F256 PolarHBondContact O-N 2.87Å; L252-F256 VanDerWaalsContact O-N 3.1Å; T253-F256 PolarHBondContact O-N 2.87Å; Q254-F256 VanDerWaalsContact C-N 3.28Å; Q254-F256 PolarHBondContact O-N 3.5Å; F256-E258 VanDerWaalsContact C-N 3.31Å; F256-E258 PolarHBondContact O-N 2.84Å; F256-K259 PolarHBondContact O-N 3.29Å; F256-V260 HydrophobicContact CD1-CG2 4.2Å; F256-V260 HydrophobicContact CD2-CG2 4.14Å; F256-V260 HydrophobicContact CE1-CG2 3.77Å; F256-V260 HydrophobicContact CE2-CG2 3.7Å; F256-V260 HydrophobicContact CG-CG2 4.37Å; F256-V260 HydrophobicContact CZ-CG2 3.5Å; F256-V260 VanDerWaalsContact CZ-CG2 3.5Å; F256-V260 WeakPolarHBondContact O-CB 3.44Å; F256-V260 VanDerWaalsContact O-CG2 3.26Å; F256-V260 WeakPolarHBondContact O-CG2 3.23Å; F256-V260 PolarHBondContact O-N 3.31Å
257I92.8Very high88.3Confident11 Ų1156.1 Ų56.16%0.05628%0.277CS..Hα-helixtrans-55.9-45.3175.3-72.2171.3000111.3F153 T156 R160 T253 Q254 S261F153-I257 HydrophobicContact CE2-CG2 3.98Å; F153-I257 HydrophobicContact CZ-CG2 4.42Å; T156-I257 HydrophobicContact CG2-CD1 3.89Å; T156-I257 HydrophobicContact CG2-CG1 3.41Å; T156-I257 VanDerWaalsContact CG2-CG1 3.41Å; R160-I257 HydrophobicContact CB-CD1 4.49Å; T253-I257 HydrophobicContact CG2-CD1 4.19Å; T253-I257 WeakPolarHBondContact O-CG1 3.29Å; T253-I257 PolarHBondContact O-N 2.94Å; Q254-I257 WeakPolarHBondContact O-CB 3.38Å; Q254-I257 PolarHBondContact O-N 3.06Å; Q254-I257 VanDerWaalsContact O-N 3.16Å; I257-S261 VanDerWaalsContact O-CB 3.26Å; I257-S261 WeakPolarHBondContact O-CB 3.29Å; I257-S261 PolarHBondContact O-N 2.61Å; I257-S261 PolarHBondContact O-OG 3.16Å
258E91.9Very high86.2Confident96 Ų9662 Ų6245%0.44930%0.298SS..Hα-helixtrans-65.5-43.9179.7-73.4169.6-169.900112Q254 L255 F256 S261 T262Q254-E258 WeakPolarHBondContact CG-OE1 3.4Å; Q254-E258 PolarHBondContact NE2-OE1 3.5Å; Q254-E258 WeakPolarHBondContact O-CG 2.99Å; Q254-E258 PolarHBondContact O-N 3.17Å; L255-E258 PolarHBondContact O-N 3.23Å; F256-E258 VanDerWaalsContact C-N 3.31Å; F256-E258 PolarHBondContact O-N 2.84Å; E258-S261 PolarHBondContact O-N 3.32Å; E258-T262 WeakPolarHBondContact O-CB 3.28Å; E258-T262 PolarHBondContact O-N 2.84Å; E258-T262 PolarHBondContact O-OG1 3.48Å
259K89.5Confident84.1Confident81 Ų8165.1 Ų65.135%0.35232%0.316SS..Hα-helixtrans-59.6-48.7176.3-175.2172-178.5172.90111.3E28 L255 F256 T262 L263E28-K259 IonicContact OE1-NZ 3.71Å; E28-K259 PolarHBondContact OE1-NZ 3.43Å; E28-K259 WeakPolarHBondContact OE2-CE 3.41Å; E28-K259 IonicContact OE2-NZ 2.69Å; E28-K259 PolarHBondContact OE2-NZ 3.01Å; L255-K259 WeakPolarHBondContact O-CB 3.42Å; L255-K259 PolarHBondContact O-N 3.33Å; F256-K259 PolarHBondContact O-N 3.29Å; K259-T262 PolarHBondContact O-N 3.05Å; K259-L263 WeakPolarHBondContact O-CG 3.29Å; K259-L263 PolarHBondContact O-N 2.82Å
260V85.7Confident81.6Confident4 Ų472.1 Ų72.12%0.02435%0.353CS..Hα-helixtrans-62-50.4177.3174.30000110.3L25 F256 T262 L263 F264L25-V260 HydrophobicContact CD1-CG1 4.27Å; L25-V260 HydrophobicContact CD1-CG2 3.75Å; F256-V260 HydrophobicContact CD1-CG2 4.2Å; F256-V260 HydrophobicContact CD2-CG2 4.14Å; F256-V260 HydrophobicContact CE1-CG2 3.77Å; F256-V260 HydrophobicContact CE2-CG2 3.7Å; F256-V260 HydrophobicContact CG-CG2 4.37Å; F256-V260 HydrophobicContact CZ-CG2 3.5Å; F256-V260 VanDerWaalsContact CZ-CG2 3.5Å; F256-V260 WeakPolarHBondContact O-CB 3.44Å; F256-V260 VanDerWaalsContact O-CG2 3.26Å; F256-V260 WeakPolarHBondContact O-CG2 3.23Å; F256-V260 PolarHBondContact O-N 3.31Å; V260-T262 VanDerWaalsContact C-N 3.27Å; V260-T262 PolarHBondContact O-N 3.15Å; V260-L263 WeakPolarHBondContact O-CB 3.38Å; V260-L263 PolarHBondContact O-N 3.11Å; V260-F264 HydrophobicContact CG1-CD2 3.77Å; V260-F264 HydrophobicContact CG1-CE2 3.6Å; V260-F264 WeakPolarHBondContact O-CD2 2.94Å; V260-F264 PolarHBondContact O-N 3.12Å
261S85.8Confident78.7Confident37 Ų3775.1 Ų75.126%0.25938%0.375SS..Hα-helixtrans-58-39.3-179-58.90000112.5I257 E258 L263 F264 L265I257-S261 VanDerWaalsContact O-CB 3.26Å; I257-S261 WeakPolarHBondContact O-CB 3.29Å; I257-S261 PolarHBondContact O-N 2.61Å; I257-S261 PolarHBondContact O-OG 3.16Å; E258-S261 PolarHBondContact O-N 3.32Å; S261-L263 VanDerWaalsContact C-N 3.35Å; S261-L263 PolarHBondContact O-N 3Å; S261-F264 PolarHBondContact O-N 3.22Å; S261-L265 WeakPolarHBondContact O-CB 3.43Å; S261-L265 WeakPolarHBondContact O-CG 3.38Å; S261-L265 PolarHBondContact O-N 3.23Å
262T84.6Confident75.6Confident63 Ų6373.6 Ų73.639%0.38738%0.376SS..Hα-helixtrans-63.6-39.2177.6-57.30000112.1E258 K259 V260 F264 R266E258-T262 WeakPolarHBondContact O-CB 3.28Å; E258-T262 PolarHBondContact O-N 2.84Å; E258-T262 PolarHBondContact O-OG1 3.48Å; K259-T262 PolarHBondContact O-N 3.05Å; V260-T262 VanDerWaalsContact C-N 3.27Å; V260-T262 PolarHBondContact O-N 3.15Å; T262-F264 VanDerWaalsContact C-N 3.35Å; T262-R266 VanDerWaalsContact O-CG 3.32Å; T262-R266 WeakPolarHBondContact O-CG 3.13Å; T262-R266 PolarHBondContact O-N 2.8Å; T262-R266 VanDerWaalsContact O-N 3.12Å
263L79.1Confident72.5Confident53 Ų5378 Ų7828%0.27741%0.408SS..Hα-helixtrans-64.5-39.6176-64.5165.8000111.5F24 K259 V260 S261F24-L263 HydrophobicContact CD1-CD1 4.13Å; F24-L263 HydrophobicContact CE1-CD1 3.81Å; F24-L263 HydrophobicContact CE1-CD2 4.43Å; K259-L263 WeakPolarHBondContact O-CG 3.29Å; K259-L263 PolarHBondContact O-N 2.82Å; V260-L263 WeakPolarHBondContact O-CB 3.38Å; V260-L263 PolarHBondContact O-N 3.11Å; S261-L263 VanDerWaalsContact C-N 3.35Å; S261-L263 PolarHBondContact O-N 3Å
264F75.4Confident69.5Low67 Ų6784.2 Ų84.229%0.29445%0.452SS..Hα-helixtrans-74.7-37.5178.6-74.1-71.9000113.7L25 V149 V260 S261 T262 K267 K268L25-F264 HydrophobicContact CD2-CE2 4.13Å; L25-F264 HydrophobicContact CD2-CZ 3.91Å; V149-F264 HydrophobicContact CB-CE1 4.03Å; V149-F264 HydrophobicContact CB-CE2 4.32Å; V149-F264 HydrophobicContact CB-CZ 3.73Å; V149-F264 HydrophobicContact CG1-CD1 4.16Å; V149-F264 HydrophobicContact CG1-CD2 3.87Å; V149-F264 HydrophobicContact CG1-CE1 3.55Å; V149-F264 HydrophobicContact CG1-CE2 3.24Å; V149-F264 HydrophobicContact CG1-CG 4.34Å; V149-F264 HydrophobicContact CG1-CZ 3.1Å; V149-F264 HydrophobicContact CG2-CE1 3.57Å; V149-F264 HydrophobicContact CG2-CE2 4.18Å; V149-F264 HydrophobicContact CG2-CZ 3.22Å; V260-F264 HydrophobicContact CG1-CD2 3.77Å; V260-F264 HydrophobicContact CG1-CE2 3.6Å; V260-F264 WeakPolarHBondContact O-CD2 2.94Å; V260-F264 PolarHBondContact O-N 3.12Å; S261-F264 PolarHBondContact O-N 3.22Å; T262-F264 VanDerWaalsContact C-N 3.35Å; F264-K267 PolarHBondContact O-N 3.17Å; F264-K268 PolarHBondContact O-N 3.47Å
265L69.6Low66.4Low113 Ų11396.4 Ų96.459%0.59250%0.495SS*.Hα-helixtrans-65.5-42.8176.7-76.5170.2000111.7S261 K267 K268 T269S261-L265 WeakPolarHBondContact O-CB 3.43Å; S261-L265 WeakPolarHBondContact O-CG 3.38Å; S261-L265 PolarHBondContact O-N 3.23Å; L265-K267 PolarHBondContact O-N 3.42Å; L265-K268 PolarHBondContact O-N 3.04Å; L265-K268 VanDerWaalsContact O-N 3.1Å; L265-T269 PolarHBondContact O-N 3.06Å; L265-T269 VanDerWaalsContact O-N 3.1Å; L265-T269 PolarHBondContact O-OG1 3.08Å
266R64.8Low65Low160 Ų16095.8 Ų95.860%0.60449%0.491SS*.Hα-helixtrans-55.9-35.3176.5-77.3179.3-178.7-175.61.1112.3T262 T269 L270T262-R266 VanDerWaalsContact O-CG 3.32Å; T262-R266 WeakPolarHBondContact O-CG 3.13Å; T262-R266 PolarHBondContact O-N 2.8Å; T262-R266 VanDerWaalsContact O-N 3.12Å; R266-T269 WeakPolarHBondContact CA-OG1 3.39Å; R266-T269 PolarHBondContact O-OG1 3.18Å; R266-L270 WeakPolarHBondContact O-CB 3.36Å; R266-L270 WeakPolarHBondContact O-CD1 3.2Å; R266-L270 VanDerWaalsContact O-CG 3.3Å; R266-L270 WeakPolarHBondContact O-CG 3.23Å; R266-L270 PolarHBondContact O-N 2.87Å; R266-L270 VanDerWaalsContact O-N 3.12Å
267K59.5Low63.4Low58 Ų58100.2 Ų100.225%0.25251%0.514SS..Hα-helixtrans-71.4-39.5177.2-70.7-173.4173.3-166.20113.5M16 D21 F264 L265 T269 L270 S271M16-K267 PolarHBondContact O-NZ 3.13Å; D21-K267 WeakPolarHBondContact OD2-CE 3.32Å; D21-K267 IonicContact OD2-NZ 2.74Å; D21-K267 PolarHBondContact OD2-NZ 3.42Å; F264-K267 PolarHBondContact O-N 3.17Å; L265-K267 PolarHBondContact O-N 3.42Å; K267-T269 VanDerWaalsContact C-N 3.29Å; K267-T269 PolarHBondContact O-N 3.41Å; K267-L270 PolarHBondContact O-N 3.43Å; K267-S271 PolarHBondContact O-N 3.15Å
268K55.9Low61.7Low164 Ų164105.1 Ų105.171%0.71354%0.539SS*.Hα-helixtrans-65.4-33175.1-75.6-172.2175.7-177.40112.5F264 L265F264-K268 PolarHBondContact O-N 3.47Å; L265-K268 PolarHBondContact O-N 3.04Å; L265-K268 VanDerWaalsContact O-N 3.1Å
269T53.7Low60Low103 Ų103105.6 Ų105.663%0.63255%0.545SS*.Hα-helixtrans-78.9-20.3175.949.30000113.7L265 R266 K267 P272L265-T269 PolarHBondContact O-N 3.06Å; L265-T269 VanDerWaalsContact O-N 3.1Å; L265-T269 PolarHBondContact O-OG1 3.08Å; R266-T269 WeakPolarHBondContact CA-OG1 3.39Å; R266-T269 PolarHBondContact O-OG1 3.18Å; K267-T269 VanDerWaalsContact C-N 3.29Å; K267-T269 PolarHBondContact O-N 3.41Å; T269-P272 VanDerWaalsContact O-CD 3.23Å; T269-P272 WeakPolarHBondContact O-CD 3.23Å
270L45.8Very low58.1Low147 Ų147107.2 Ų107.277%0.7756%0.557SS**Hα-helixtrans-90.5-4.3174.9-74.1161.7000113.1R266 K267R266-L270 WeakPolarHBondContact O-CB 3.36Å; R266-L270 WeakPolarHBondContact O-CD1 3.2Å; R266-L270 VanDerWaalsContact O-CG 3.3Å; R266-L270 WeakPolarHBondContact O-CG 3.23Å; R266-L270 PolarHBondContact O-N 2.87Å; R266-L270 VanDerWaalsContact O-N 3.12Å; K267-L270 PolarHBondContact O-N 3.43Å
271S37.7Very low56.3Low75 Ų75114.1 Ų114.152%0.52459%0.592SS.*  trans-106.642.6174.883.70000117.1K267K267-S271 PolarHBondContact O-N 3.15Å
272P32.2Very low54.2Low93 Ų93119.6 Ų119.660%0.60462%0.616SS**  trans-100.8135160.932.8-23.3000111T269T269-P272 VanDerWaalsContact O-CD 3.23Å; T269-P272 WeakPolarHBondContact O-CD 3.23Å
273C33.1Very low51.8Low126 Ų126123.9 Ų123.985%0.85163%0.634SS**  trans86.978.3176.9-60.90000117.4
274S34.9Very low49.5Very low131 Ų131129.8 Ų129.892%0.91666%0.664SS**  trans-128.388.9140.8-46.20000107.2
275R32Very low47.2Very low321 Ų321135.5 Ų135.5100%1.21170%0.697SS**  trans-92.40153.6-86-171-172.7-176.92.9107.2

Retrieved 275 of 275 residues in 577.6 ms (Link to these results)