A0A3Q0KJD5_SCHMA Loading...

Putative smile protein

AlphaFold DB , UniProt , Accession A0A3Q0KJD5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 132 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
1M83Confident94.9Very high175 Ų17569 Ų6986%0.86234%0.338SS*.  0-54.30-157172.275.900112.5K3 E4 V5M1-K3 PolarHBondContact O-N 2.74Å; M1-E4 WeakPolarHBondContact CA-OE2 3.3Å; M1-E4 PolarHBondContact N-OE2 3.4Å; M1-E4 PolarHBondContact O-N 3.22Å; M1-E4 VanDerWaalsContact O-OE2 3.11Å; M1-V5 PolarHBondContact O-N 3.44Å; M1-V5 VanDerWaalsContact O-N 3.13Å
2W93.2Very high95.2Very high167 Ų16766.5 Ų66.563%0.63333%0.332SS*.Hα-helixtrans-63.6-36.8-177.571.3-99.7000113.8E4 V5 L6W2-E4 VanDerWaalsContact C-N 3.32Å; W2-E4 PolarHBondContact O-N 3.46Å; W2-V5 PolarHBondContact O-N 2.91Å; W2-L6 HydrophobicContact CZ3-CD1 4.44Å; W2-L6 VanDerWaalsContact O-CB 3.3Å; W2-L6 WeakPolarHBondContact O-CB 3.48Å; W2-L6 PolarHBondContact O-N 3.38Å
3K94.4Very high95.4Very high14 Ų1469.3 Ų69.36%0.06136%0.355CS..Hα-helixtrans-62.5-40.6177.1-69.6-167.6-175.7-175.30111.2M1 L6 L7 F103 K112 E113 F116M1-K3 PolarHBondContact O-N 2.74Å; K3-L6 PolarHBondContact O-N 3.13Å; K3-L7 WeakPolarHBondContact O-CB 3.33Å; K3-L7 WeakPolarHBondContact O-CG 3.49Å; K3-L7 PolarHBondContact O-N 3.39Å; K3-F103 HydrophobicContact CB-CZ 4.44Å; K3-K112 HydrophobicContact CD-CG 4.28Å; K3-E113 IonicContact NZ-OE1 2.74Å; K3-E113 PolarHBondContact NZ-OE1 3.11Å; K3-F116 HydrophobicContact CB-CD2 3.8Å; K3-F116 HydrophobicContact CB-CE2 4.16Å; K3-F116 HydrophobicContact CD-CB 4.02Å; K3-F116 HydrophobicContact CD-CD2 4.03Å; K3-F116 HydrophobicContact CD-CG 3.97Å; K3-F116 HydrophobicContact CG-CD2 4.08Å; K3-F116 HydrophobicContact CG-CE2 4.42Å; K3-F116 HydrophobicContact CG-CG 4.48Å
4E94.5Very high95.5Very high27 Ų2768.1 Ų68.113%0.12635%0.349CS..Hα-helixtrans-64.1-47.3176.6-63.690.6151.100112M1 W2 L6 L7 C8 F100 F103 K104M1-E4 WeakPolarHBondContact CA-OE2 3.3Å; M1-E4 PolarHBondContact N-OE2 3.4Å; M1-E4 PolarHBondContact O-N 3.22Å; M1-E4 VanDerWaalsContact O-OE2 3.11Å; W2-E4 VanDerWaalsContact C-N 3.32Å; W2-E4 PolarHBondContact O-N 3.46Å; E4-L6 VanDerWaalsContact C-N 3.31Å; E4-L6 PolarHBondContact O-N 3.26Å; E4-L7 PolarHBondContact O-N 3Å; E4-C8 PolarHBondContact O-N 3.18Å; E4-C8 PolarHBondContact O-SG 2.67Å; E4-C8 VanDerWaalsContact O-SG 3.39Å; E4-F100 HydrophobicContact CB-CD2 4.04Å; E4-F100 HydrophobicContact CB-CE2 3.91Å; E4-F100 HydrophobicContact CG-CD2 4.16Å; E4-F100 HydrophobicContact CG-CE2 3.8Å; E4-F103 HydrophobicContact CG-CD1 3.87Å; E4-F103 HydrophobicContact CG-CE1 3.67Å; E4-K104 IonicContact OE1-NZ 3.31Å; E4-K104 PolarHBondContact OE1-NZ 3.44Å
5V95.9Very high95.7Very high81 Ų8164.7 Ų64.749%0.49133%0.33SS..Hα-helixtrans-60.5-44.3176.5173.60000110.6M1 W2 L7 C8 L9M1-V5 PolarHBondContact O-N 3.44Å; M1-V5 VanDerWaalsContact O-N 3.13Å; W2-V5 PolarHBondContact O-N 2.91Å; V5-L7 VanDerWaalsContact C-N 3.32Å; V5-L7 PolarHBondContact O-N 2.94Å; V5-C8 PolarHBondContact O-N 3.32Å; V5-L9 HydrophobicContact CG1-CD1 3.89Å; V5-L9 HydrophobicContact CG1-CG 4.34Å; V5-L9 WeakPolarHBondContact O-CB 3.2Å; V5-L9 WeakPolarHBondContact O-CG 2.96Å; V5-L9 PolarHBondContact O-N 3.45Å
6L97Very high95.8Very high75 Ų7569.4 Ų69.439%0.39335%0.348SS..Hα-helixtrans-65-36.5179.4-171.7143.3000112W2 K3 E4 F10 F116 I120W2-L6 HydrophobicContact CZ3-CD1 4.44Å; W2-L6 VanDerWaalsContact O-CB 3.3Å; W2-L6 WeakPolarHBondContact O-CB 3.48Å; W2-L6 PolarHBondContact O-N 3.38Å; K3-L6 PolarHBondContact O-N 3.13Å; E4-L6 VanDerWaalsContact C-N 3.31Å; E4-L6 PolarHBondContact O-N 3.26Å; L6-F10 WeakPolarHBondContact O-CB 3.46Å; L6-F10 PolarHBondContact O-N 3.08Å; L6-F116 HydrophobicContact CD2-CE2 3.77Å; L6-F116 HydrophobicContact CD2-CZ 3.52Å; L6-I120 HydrophobicContact CD2-CD1 4.47Å
7L97.3Very high95.8Very high0 Ų071.9 Ų71.90%036%0.363CS..Hα-helixtrans-62.7-48.9173.2-79.6168.7000111.8K3 E4 V5 L9 F10 S11 V99 F103 F116 I120K3-L7 WeakPolarHBondContact O-CB 3.33Å; K3-L7 WeakPolarHBondContact O-CG 3.49Å; K3-L7 PolarHBondContact O-N 3.39Å; E4-L7 PolarHBondContact O-N 3Å; V5-L7 VanDerWaalsContact C-N 3.32Å; V5-L7 PolarHBondContact O-N 2.94Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L9 PolarHBondContact O-N 3.45Å; L7-F10 PolarHBondContact O-N 2.78Å; L7-S11 WeakPolarHBondContact O-CB 3.34Å; L7-S11 PolarHBondContact O-N 3.05Å; L7-S11 PolarHBondContact O-OG 3.28Å; L7-S11 VanDerWaalsContact O-OG 3.08Å; L7-V99 HydrophobicContact CB-CG1 4.31Å; L7-V99 HydrophobicContact CD2-CG1 4.29Å; L7-F103 HydrophobicContact CD1-CB 3.7Å; L7-F103 HydrophobicContact CD1-CD1 3.88Å; L7-F103 HydrophobicContact CD1-CD2 3.83Å; L7-F103 HydrophobicContact CD1-CE1 4.48Å; L7-F103 HydrophobicContact CD1-CE2 4.45Å; L7-F103 HydrophobicContact CD1-CG 3.51Å; L7-F116 HydrophobicContact CD1-CD2 4.02Å; L7-F116 HydrophobicContact CD1-CE2 4.43Å; L7-F116 HydrophobicContact CD2-CD2 4.19Å; L7-F116 HydrophobicContact CD2-CE2 4.07Å; L7-F116 HydrophobicContact CG-CD2 3.92Å; L7-F116 HydrophobicContact CG-CE2 3.83Å; L7-I120 HydrophobicContact CD2-CD1 3.58Å; L7-I120 HydrophobicContact CD2-CG1 3.74Å
8C96.5Very high95.9Very high40 Ų4068.5 Ų68.527%0.2735%0.346SS..Hα-helixtrans-63.3-39.8179.2-63.60000112.2E4 V5 S11 S12E4-C8 PolarHBondContact O-N 3.18Å; E4-C8 PolarHBondContact O-SG 2.67Å; E4-C8 VanDerWaalsContact O-SG 3.39Å; V5-C8 PolarHBondContact O-N 3.32Å; C8-S11 PolarHBondContact O-OG 2.91Å; C8-S11 VanDerWaalsContact O-OG 3.08Å; C8-S12 WeakPolarHBondContact O-CB 3.16Å; C8-S12 PolarHBondContact O-N 3.27Å; C8-S12 VanDerWaalsContact O-N 3.09Å; C8-S12 PolarHBondContact O-OG 2.85Å
9L97.4Very high96Very high108 Ų10867.6 Ų67.657%0.56534%0.343SS*.Hα-helixtrans-64.9-46.6175-72.9173.9000110.8V5 L7 S12 V13V5-L9 HydrophobicContact CG1-CD1 3.89Å; V5-L9 HydrophobicContact CG1-CG 4.34Å; V5-L9 WeakPolarHBondContact O-CB 3.2Å; V5-L9 WeakPolarHBondContact O-CG 2.96Å; V5-L9 PolarHBondContact O-N 3.45Å; L7-L9 VanDerWaalsContact C-N 3.33Å; L7-L9 PolarHBondContact O-N 3.45Å; L9-S12 PolarHBondContact O-N 3.08Å; L9-V13 WeakPolarHBondContact O-CB 3.39Å; L9-V13 WeakPolarHBondContact O-CG2 3.33Å; L9-V13 PolarHBondContact O-N 3.13Å
10F98Very high96Very high72 Ų7268.1 Ų68.132%0.31637%0.365SS..Hα-helixtrans-60.7-51179.2-179.3-95000111.5L6 L7 S12 V13 I14 I120 S123 A124L6-F10 WeakPolarHBondContact O-CB 3.46Å; L6-F10 PolarHBondContact O-N 3.08Å; L7-F10 PolarHBondContact O-N 2.78Å; F10-S12 PolarHBondContact O-N 2.86Å; F10-V13 PolarHBondContact O-N 2.73Å; F10-I14 HydrophobicContact CD1-CG2 4.4Å; F10-I14 HydrophobicContact CD2-CG2 4.42Å; F10-I14 HydrophobicContact CE1-CD1 4.24Å; F10-I14 HydrophobicContact CE1-CG2 4.02Å; F10-I14 HydrophobicContact CE2-CG2 4.04Å; F10-I14 HydrophobicContact CZ-CG2 3.82Å; F10-I14 WeakPolarHBondContact O-CG1 3.34Å; F10-I14 WeakPolarHBondContact O-CG2 3.5Å; F10-I14 PolarHBondContact O-N 3.09Å; F10-I14 VanDerWaalsContact O-N 3.12Å; F10-I120 HydrophobicContact CB-CD1 4.19Å; F10-I120 HydrophobicContact CD1-CD1 3.65Å; F10-I120 HydrophobicContact CD1-CG2 4.5Å; F10-I120 HydrophobicContact CD2-CD1 4.41Å; F10-I120 HydrophobicContact CE1-CD1 4.1Å; F10-I120 HydrophobicContact CE1-CG2 3.92Å; F10-I120 HydrophobicContact CG-CD1 3.81Å; F10-I120 HydrophobicContact CZ-CG2 4.11Å; F10-S123 WeakPolarHBondContact CD1-OG 3.28Å; F10-S123 WeakPolarHBondContact CE1-OG 3.41Å; F10-A124 HydrophobicContact CE1-CB 4.09Å; F10-A124 HydrophobicContact CZ-CB 4.4Å
11S97.1Very high96.1Very high0 Ų068 Ų680%037%0.368CS..Hα-helixtrans-61.3-32.2178.559.80000112.9L7 C8 I14 S96L7-S11 WeakPolarHBondContact O-CB 3.34Å; L7-S11 PolarHBondContact O-N 3.05Å; L7-S11 PolarHBondContact O-OG 3.28Å; L7-S11 VanDerWaalsContact O-OG 3.08Å; C8-S11 PolarHBondContact O-OG 2.91Å; C8-S11 VanDerWaalsContact O-OG 3.08Å; S11-I14 WeakPolarHBondContact O-CG1 3.48Å; S11-S96 WeakPolarHBondContact OG-CA 3.31Å; S11-S96 WeakPolarHBondContact OG-CB 3.45Å; S11-S96 PolarHBondContact OG-OG 2.91Å
12S97.5Very high96.7Very high39 Ų3961.5 Ų61.527%0.27335%0.347SS..Hα-helixtrans-73.9-42.5175.6-590000112.6C8 L9 F10 F16 S96C8-S12 WeakPolarHBondContact O-CB 3.16Å; C8-S12 PolarHBondContact O-N 3.27Å; C8-S12 VanDerWaalsContact O-N 3.09Å; C8-S12 PolarHBondContact O-OG 2.85Å; L9-S12 PolarHBondContact O-N 3.08Å; F10-S12 PolarHBondContact O-N 2.86Å; S12-F16 PolarHBondContact O-N 2.92Å; S12-S96 PolarHBondContact OG-OG 3.29Å; S12-S96 VanDerWaalsContact OG-OG 3.07Å
13V97.7Very high96.9Very high103 Ų10355.2 Ų55.262%0.62432%0.324SS*.Hα-helixtrans-67.7-40.7-175.8167.20000111.8L9 F10 Y15 F16L9-V13 WeakPolarHBondContact O-CB 3.39Å; L9-V13 WeakPolarHBondContact O-CG2 3.33Å; L9-V13 PolarHBondContact O-N 3.13Å; F10-V13 PolarHBondContact O-N 2.73Å; V13-Y15 PolarHBondContact O-N 3.01Å; V13-F16 WeakPolarHBondContact O-CB 3.4Å; V13-F16 PolarHBondContact O-N 2.84Å
14I97.4Very high96.9Very high53 Ų5358.7 Ų58.727%0.27235%0.346SS..Hα-helixtrans-65.7-24.6-177.160.6173.6000113.6F10 S11 N17 S123 A124F10-I14 HydrophobicContact CD1-CG2 4.4Å; F10-I14 HydrophobicContact CD2-CG2 4.42Å; F10-I14 HydrophobicContact CE1-CD1 4.24Å; F10-I14 HydrophobicContact CE1-CG2 4.02Å; F10-I14 HydrophobicContact CE2-CG2 4.04Å; F10-I14 HydrophobicContact CZ-CG2 3.82Å; F10-I14 WeakPolarHBondContact O-CG1 3.34Å; F10-I14 WeakPolarHBondContact O-CG2 3.5Å; F10-I14 PolarHBondContact O-N 3.09Å; F10-I14 VanDerWaalsContact O-N 3.12Å; S11-I14 WeakPolarHBondContact O-CG1 3.48Å; I14-N17 PolarHBondContact O-OD1 3.31Å; I14-S123 VanDerWaalsContact CD1-O 3.22Å; I14-S123 WeakPolarHBondContact CD1-O 3.21Å; I14-A124 HydrophobicContact CD1-CB 3.96Å
15Y97.9Very high96.9Very high17 Ų1766.4 Ų66.47%0.06738%0.38CS..THydrogen-bonded Turntrans-107.62.7177.2-70.2-70.2000112.7V13 N17 S18 I92 H95 V132V13-Y15 PolarHBondContact O-N 3.01Å; Y15-N17 PolarHBondContact O-N 3.07Å; Y15-S18 WeakPolarHBondContact O-CB 3.33Å; Y15-S18 PolarHBondContact O-N 3.28Å; Y15-S18 PolarHBondContact O-OG 2.72Å; Y15-I92 WeakPolarHBondContact O-CD1 3.27Å; Y15-H95 AromaticContact CD2-CD2 3.79Å; Y15-H95 AromaticContact CE2-CD2 3.64Å; Y15-H95 AromaticContact CE2-NE2 3.54Å; Y15-V132 HydrophobicContact CD1-CB 3.84Å; Y15-V132 HydrophobicContact CD1-CG1 3.88Å; Y15-V132 HydrophobicContact CD2-CB 4.07Å; Y15-V132 HydrophobicContact CD2-CG1 3.63Å; Y15-V132 HydrophobicContact CD2-CG2 4.38Å; Y15-V132 HydrophobicContact CE1-CB 4.04Å; Y15-V132 HydrophobicContact CE1-CG1 4.5Å; Y15-V132 HydrophobicContact CE2-CB 4.26Å; Y15-V132 HydrophobicContact CE2-CG1 4.28Å; Y15-V132 HydrophobicContact CE2-CG2 4.22Å; Y15-V132 HydrophobicContact CG-CB 3.88Å; Y15-V132 HydrophobicContact CG-CG1 3.42Å; Y15-V132 VanDerWaalsContact CG-CG1 3.42Å
16F97.5Very high97Very high139 Ų13967.3 Ų67.361%0.6138%0.382SS*.G310 helixtrans-56.9-29.6-177.8-176.4-96.5000112.9S12 V13 S18 L19S12-F16 PolarHBondContact O-N 2.92Å; V13-F16 WeakPolarHBondContact O-CB 3.4Å; V13-F16 PolarHBondContact O-N 2.84Å; F16-S18 PolarHBondContact O-N 2.91Å; F16-L19 HydrophobicContact CD2-CD1 3.82Å; F16-L19 HydrophobicContact CE2-CD1 3.71Å; F16-L19 HydrophobicContact CG-CD1 4.5Å; F16-L19 HydrophobicContact CZ-CD1 4.31Å; F16-L19 WeakPolarHBondContact O-CB 3.36Å; F16-L19 WeakPolarHBondContact O-CG 3.31Å; F16-L19 PolarHBondContact O-N 3.2Å
17N97Very high96.9Very high113 Ų11366 Ų6660%0.60438%0.375SS*.G310 helixtrans-64.4-24.1176.366.3-57.7000113.5I14 Y15 L19 G20I14-N17 PolarHBondContact O-OD1 3.31Å; Y15-N17 PolarHBondContact O-N 3.07Å; N17-L19 PolarHBondContact O-N 3.31Å; N17-G20 PolarHBondContact O-N 2.97Å
18S96.8Very high96.9Very high10 Ų1067.3 Ų67.37%0.0738%0.383CS..G310 helixtrans-66.9-20.7179.472.90000112.7Y15 F16 G20 C21 H88Y15-S18 WeakPolarHBondContact O-CB 3.33Å; Y15-S18 PolarHBondContact O-N 3.28Å; Y15-S18 PolarHBondContact O-OG 2.72Å; F16-S18 PolarHBondContact O-N 2.91Å; S18-G20 PolarHBondContact O-N 2.86Å; S18-G20 VanDerWaalsContact O-N 3.14Å; S18-C21 VanDerWaalsContact O-CB 3.3Å; S18-C21 WeakPolarHBondContact O-CB 3.45Å; S18-C21 PolarHBondContact O-N 3.12Å; S18-H88 PolarHBondContact O-CD2 3.35Å
19L97.3Very high96.9Very high52 Ų5268.2 Ų68.227%0.27239%0.39SS..G310 helixtrans-60.5-24.6175.2-62.4-179.2000113.6F16 N17 S85 H88 A89 I92F16-L19 HydrophobicContact CD2-CD1 3.82Å; F16-L19 HydrophobicContact CE2-CD1 3.71Å; F16-L19 HydrophobicContact CG-CD1 4.5Å; F16-L19 HydrophobicContact CZ-CD1 4.31Å; F16-L19 WeakPolarHBondContact O-CB 3.36Å; F16-L19 WeakPolarHBondContact O-CG 3.31Å; F16-L19 PolarHBondContact O-N 3.2Å; N17-L19 PolarHBondContact O-N 3.31Å; L19-S85 WeakPolarHBondContact O-CB 3.44Å; L19-H88 HydrophobicContact CD2-CB 4Å; L19-A89 HydrophobicContact CD2-CB 3.72Å; L19-I92 HydrophobicContact CD2-CD1 3.86Å; L19-I92 HydrophobicContact CG-CD1 3.97Å
20G97Very high96.9Very high76 Ų7663.2 Ų63.278%0.78436%0.364SS*.G310 helixtrans-90.5-2.5175.400000114.3N17 S18N17-G20 PolarHBondContact O-N 2.97Å; S18-G20 PolarHBondContact O-N 2.86Å; S18-G20 VanDerWaalsContact O-N 3.14Å
21C96.7Very high96.9Very high66 Ų6660 Ų6045%0.44635%0.35SS..  trans-85.7159.2179.9-64.50000111.7S18 P84S18-C21 VanDerWaalsContact O-CB 3.3Å; S18-C21 WeakPolarHBondContact O-CB 3.45Å; S18-C21 PolarHBondContact O-N 3.12Å; C21-P84 WeakPolarHBondContact O-CB 3.37Å
22G96.7Very high96.9Very high40 Ų4065.4 Ų65.441%0.41237%0.371SS..  trans-100.4174.8171.300000112.1V24G22-V24 PolarHBondContact O-N 3.38Å
23F97.1Very high96.9Very high34 Ų3467.4 Ų67.415%0.14938%0.378CS..  trans-63.2131.8170.3-61.1-51.1000111.1D27 V28 I31 R32 L82 P84 Y87F23-D27 HydrophobicContact CB-CB 3.81Å; F23-D27 HydrophobicContact CD1-CB 3.86Å; F23-D27 HydrophobicContact CG-CB 4.21Å; F23-V28 HydrophobicContact CB-CG2 4.23Å; F23-I31 HydrophobicContact CD1-CD1 4.24Å; F23-I31 HydrophobicContact CE1-CB 4.41Å; F23-I31 HydrophobicContact CE1-CD1 3.87Å; F23-I31 HydrophobicContact CE1-CG2 3.95Å; F23-I31 HydrophobicContact CE2-CG2 4.28Å; F23-I31 HydrophobicContact CZ-CG2 3.71Å; F23-R32 HydrophobicContact CD2-CB 4.45Å; F23-L82 HydrophobicContact CE2-CB 4.39Å; F23-L82 VanDerWaalsContact CE2-O 3.28Å; F23-L82 WeakPolarHBondContact CE2-O 3.23Å; F23-P84 HydrophobicContact CD1-CB 4.08Å; F23-P84 HydrophobicContact CD1-CG 4.31Å; F23-P84 HydrophobicContact CD2-CG 3.86Å; F23-P84 HydrophobicContact CE1-CB 3.95Å; F23-P84 HydrophobicContact CE1-CG 4.26Å; F23-P84 HydrophobicContact CE2-CB 4.38Å; F23-P84 HydrophobicContact CE2-CG 3.81Å; F23-P84 HydrophobicContact CG-CB 4.36Å; F23-P84 HydrophobicContact CG-CG 4.11Å; F23-P84 HydrophobicContact CZ-CB 4.1Å; F23-P84 HydrophobicContact CZ-CG 4.01Å; F23-Y87 AromaticContact CE1-CD2 3.77Å; F23-Y87 HydrophobicContact CE1-CD2 3.77Å; F23-Y87 HydrophobicContact CE1-CE2 4.33Å; F23-Y87 AromaticContact CE1-CG 3.97Å; F23-Y87 HydrophobicContact CE1-CG 3.97Å; F23-Y87 AromaticContact CZ-CD2 3.58Å; F23-Y87 HydrophobicContact CZ-CD2 3.58Å; F23-Y87 AromaticContact CZ-CE2 3.78Å; F23-Y87 HydrophobicContact CZ-CE2 3.78Å; F23-Y87 HydrophobicContact CZ-CG 4.24Å
24V95Very high96.9Very high87 Ų8762.6 Ų62.653%0.52735%0.349SS..  trans-134.3156.2179.4-65.50000110.6G22 D26 D27G22-V24 PolarHBondContact O-N 3.38Å; V24-D26 PolarHBondContact O-N 3.15Å; V24-D26 VanDerWaalsContact O-N 3.16Å; V24-D27 PolarHBondContact N-OD2 2.84Å; V24-D27 VanDerWaalsContact O-CB 3.29Å; V24-D27 WeakPolarHBondContact O-CB 3.35Å; V24-D27 PolarHBondContact O-N 3.48Å
25F94.8Very high96.9Very high190 Ų19065.2 Ų65.283%0.83336%0.36SS*.THydrogen-bonded Turntrans47.2-120.8178-73.6-93.3000112.8D27 V28F25-D27 VanDerWaalsContact C-N 3.25Å; F25-D27 PolarHBondContact O-N 3.5Å; F25-V28 WeakPolarHBondContact O-CB 3.29Å; F25-V28 PolarHBondContact O-N 2.88Å
26D96Very high96.9Very high100 Ų10064.6 Ų64.654%0.53536%0.358SS..Hα-helixtrans-68.6-21.8-173.4-74.4-3.8000112.8V24 V28 S29 A30 W52V24-D26 PolarHBondContact O-N 3.15Å; V24-D26 VanDerWaalsContact O-N 3.16Å; D26-V28 PolarHBondContact O-N 2.95Å; D26-S29 PolarHBondContact O-N 3.29Å; D26-A30 WeakPolarHBondContact O-CB 3.34Å; D26-A30 PolarHBondContact O-N 3Å; D26-W52 HydrophobicContact CB-CH2 3.79Å; D26-W52 HydrophobicContact CB-CZ3 3.93Å
27D96.2Very high96.9Very high46 Ų4658 Ų5825%0.24633%0.329CS..Hα-helixtrans-58.7-36175.4-63-23.9000111.2F23 V24 F25 I31 R32F23-D27 HydrophobicContact CB-CB 3.81Å; F23-D27 HydrophobicContact CD1-CB 3.86Å; F23-D27 HydrophobicContact CG-CB 4.21Å; V24-D27 PolarHBondContact N-OD2 2.84Å; V24-D27 VanDerWaalsContact O-CB 3.29Å; V24-D27 WeakPolarHBondContact O-CB 3.35Å; V24-D27 PolarHBondContact O-N 3.48Å; F25-D27 VanDerWaalsContact C-N 3.25Å; F25-D27 PolarHBondContact O-N 3.5Å; D27-I31 HydrophobicContact CB-CD1 4.38Å; D27-I31 WeakPolarHBondContact O-CA 3.45Å; D27-I31 VanDerWaalsContact O-CB 3.23Å; D27-I31 WeakPolarHBondContact O-CB 3.22Å; D27-I31 PolarHBondContact O-N 3.05Å; D27-R32 PolarHBondContact O-N 3.35Å
28V96.9Very high96.9Very high28 Ų2854.5 Ų54.517%0.1731%0.307CS..Iπ-helixtrans-61.3-51.9-179.71720000110.1F23 F25 D26 R32 D33F23-V28 HydrophobicContact CB-CG2 4.23Å; F25-V28 WeakPolarHBondContact O-CB 3.29Å; F25-V28 PolarHBondContact O-N 2.88Å; D26-V28 PolarHBondContact O-N 2.95Å; V28-R32 CarbonylContact O-C 3.58Å; V28-R32 WeakPolarHBondContact O-CA 3.39Å; V28-R32 VanDerWaalsContact O-CB 3.31Å; V28-R32 WeakPolarHBondContact O-CB 3.45Å; V28-R32 PolarHBondContact O-N 3.33Å; V28-R32 VanDerWaalsContact O-N 3.08Å; V28-D33 WeakPolarHBondContact CG1-OD2 3.38Å; V28-D33 PolarHBondContact O-N 3.31Å
29S96.8Very high96.8Very high59 Ų5958.3 Ų58.341%0.41333%0.332SS..Iπ-helixtrans-71.5-40.6-179.9-59.70000112D26 N34D26-S29 PolarHBondContact O-N 3.29Å; S29-N34 WeakPolarHBondContact O-CB 3.4Å; S29-N34 PolarHBondContact O-N 3.16Å
30A97.5Very high96.8Very high3 Ų360.9 Ų60.93%0.02536%0.355CS..Iπ-helixtrans-77-28-174.200000114D26 N34 F51 W52 F73D26-A30 WeakPolarHBondContact O-CB 3.34Å; D26-A30 PolarHBondContact O-N 3Å; A30-N34 WeakPolarHBondContact O-CB 3.46Å; A30-N34 PolarHBondContact O-ND2 3.24Å; A30-F51 HydrophobicContact CB-CD1 4.39Å; A30-F51 HydrophobicContact CB-CE1 3.59Å; A30-F51 HydrophobicContact CB-CZ 3.7Å; A30-W52 HydrophobicContact CB-CE3 4Å; A30-W52 HydrophobicContact CB-CZ3 3.86Å; A30-F73 HydrophobicContact CB-CE2 4.3Å
31I97.9Very high96.8Very high5 Ų558.5 Ų58.53%0.02633%0.325CS..Iπ-helixtrans-119.2-58.4-173.2-57.3170.7000111.1F23 D27 L37 R38 F73 L82 Y87F23-I31 HydrophobicContact CD1-CD1 4.24Å; F23-I31 HydrophobicContact CE1-CB 4.41Å; F23-I31 HydrophobicContact CE1-CD1 3.87Å; F23-I31 HydrophobicContact CE1-CG2 3.95Å; F23-I31 HydrophobicContact CE2-CG2 4.28Å; F23-I31 HydrophobicContact CZ-CG2 3.71Å; D27-I31 HydrophobicContact CB-CD1 4.38Å; D27-I31 WeakPolarHBondContact O-CA 3.45Å; D27-I31 VanDerWaalsContact O-CB 3.23Å; D27-I31 WeakPolarHBondContact O-CB 3.22Å; D27-I31 PolarHBondContact O-N 3.05Å; I31-L37 HydrophobicContact CB-CD2 4.08Å; I31-L37 HydrophobicContact CG1-CD2 4.5Å; I31-L37 HydrophobicContact CG2-CD2 3.61Å; I31-L37 WeakPolarHBondContact O-CD2 3.2Å; I31-R38 PolarHBondContact O-NH1 3.05Å; I31-F73 HydrophobicContact CG1-CD2 4.09Å; I31-F73 HydrophobicContact CG1-CE2 4.23Å; I31-F73 HydrophobicContact CG1-CG 4.31Å; I31-L82 HydrophobicContact CG2-CD2 4.4Å; I31-Y87 HydrophobicContact CD1-CD1 3.73Å; I31-Y87 HydrophobicContact CD1-CE1 4.05Å; I31-Y87 HydrophobicContact CD1-CG 4.25Å; I31-Y87 HydrophobicContact CG1-CD1 4.46Å; I31-Y87 HydrophobicContact CG1-CE1 4.3Å; I31-Y87 HydrophobicContact CG2-CD1 4.21Å; I31-Y87 HydrophobicContact CG2-CE1 3.59Å; I31-Y87 HydrophobicContact CG2-CE2 3.97Å; I31-Y87 VanDerWaalsContact CG2-CZ 3.46Å
32R96.9Very high96.8Very high113 Ų11358.2 Ų58.243%0.42632%0.324SS..Iπ-helixtrans-68.8-45.4-173.1-168.3-167.170.4-161.9-0.6111.6F23 D27 V28 R38 L82F23-R32 HydrophobicContact CD2-CB 4.45Å; D27-R32 PolarHBondContact O-N 3.35Å; V28-R32 CarbonylContact O-C 3.58Å; V28-R32 WeakPolarHBondContact O-CA 3.39Å; V28-R32 VanDerWaalsContact O-CB 3.31Å; V28-R32 WeakPolarHBondContact O-CB 3.45Å; V28-R32 PolarHBondContact O-N 3.33Å; V28-R32 VanDerWaalsContact O-N 3.08Å; R32-R38 PolarHBondContact O-NH2 3.29Å; R32-L82 HydrophobicContact CG-CD1 4.23Å
33D97.4Very high96.7Very high81 Ų8161 Ų6143%0.43333%0.328SS..SBendtrans-96.5-17.4-171.7-60-18.3000112.3V28 Q35V28-D33 WeakPolarHBondContact CG1-OD2 3.38Å; V28-D33 PolarHBondContact O-N 3.31Å; D33-Q35 PolarHBondContact O-N 3.18Å; D33-Q35 PolarHBondContact O-NE2 3.26Å
34N97.9Very high96.7Very high2 Ų263 Ų631%0.01134%0.344CS..  trans-69.8117178.9-171-11.4000112.8S29 A30 D36 L37 F51 G53S29-N34 WeakPolarHBondContact O-CB 3.4Å; S29-N34 PolarHBondContact O-N 3.16Å; A30-N34 WeakPolarHBondContact O-CB 3.46Å; A30-N34 PolarHBondContact O-ND2 3.24Å; N34-D36 VanDerWaalsContact C-N 3.28Å; N34-D36 PolarHBondContact O-N 3.19Å; N34-D36 VanDerWaalsContact OD1-CB 3.24Å; N34-D36 WeakPolarHBondContact OD1-CB 3.45Å; N34-D36 PolarHBondContact OD1-N 3.43Å; N34-L37 HydrophobicContact CB-CD1 4.1Å; N34-L37 PolarHBondContact O-N 3.5Å; N34-F51 PolarHBondContact ND2-O 3.16Å; N34-G53 VanDerWaalsContact OD1-CA 3.31Å; N34-G53 WeakPolarHBondContact OD1-CA 3.39Å
35Q97.3Very high96.8Very high109 Ų10961.9 Ų61.951%0.50933%0.333SS..G310 helixtrans-73.2-16.7178.9-62.1-56-5600113.6D33 L37 R38 T41D33-Q35 PolarHBondContact O-N 3.18Å; D33-Q35 PolarHBondContact O-NE2 3.26Å; Q35-L37 PolarHBondContact O-N 3.07Å; Q35-L37 VanDerWaalsContact O-N 3.15Å; Q35-R38 WeakPolarHBondContact O-CB 3.42Å; Q35-R38 PolarHBondContact O-N 2.86Å; Q35-T41 WeakPolarHBondContact O-CB 3.43Å; Q35-T41 PolarHBondContact O-OG1 3.4Å
36D97.9Very high96.9Very high4 Ų452.9 Ų52.92%0.02129%0.293CS..G310 helixtrans-65.7-16176.6-73-8.2000112.6N34 R38 L46 N49 G53 V70 R74N34-D36 VanDerWaalsContact C-N 3.28Å; N34-D36 PolarHBondContact O-N 3.19Å; N34-D36 VanDerWaalsContact OD1-CB 3.24Å; N34-D36 WeakPolarHBondContact OD1-CB 3.45Å; N34-D36 PolarHBondContact OD1-N 3.43Å; D36-R38 VanDerWaalsContact C-N 3.34Å; D36-L46 HydrophobicContact CB-CD1 3.92Å; D36-L46 HydrophobicContact CB-CG 4.11Å; D36-N49 PolarHBondContact OD1-ND2 3.05Å; D36-N49 VanDerWaalsContact OD2-CB 3.3Å; D36-N49 WeakPolarHBondContact OD2-CB 3.48Å; D36-N49 PolarHBondContact OD2-ND2 3.19Å; D36-N49 VanDerWaalsContact OD2-ND2 3.11Å; D36-G53 WeakPolarHBondContact OD2-CA 3.3Å; D36-V70 HydrophobicContact CB-CG1 3.7Å; D36-R74 PolarHBondContact O-NH1 3.29Å
37L97.9Very high97Very high0 Ų052.2 Ų52.20%029%0.286CS..G310 helixtrans-81.2-13.9172.6-81.266.6000112.8I31 N34 Q35 V70 F73 R74 F77 Y87I31-L37 HydrophobicContact CB-CD2 4.08Å; I31-L37 HydrophobicContact CG1-CD2 4.5Å; I31-L37 HydrophobicContact CG2-CD2 3.61Å; I31-L37 WeakPolarHBondContact O-CD2 3.2Å; N34-L37 HydrophobicContact CB-CD1 4.1Å; N34-L37 PolarHBondContact O-N 3.5Å; Q35-L37 PolarHBondContact O-N 3.07Å; Q35-L37 VanDerWaalsContact O-N 3.15Å; L37-V70 HydrophobicContact CD1-CG1 4.11Å; L37-F73 HydrophobicContact CD1-CB 3.93Å; L37-F73 HydrophobicContact CD2-CB 3.76Å; L37-F73 HydrophobicContact CG-CB 3.85Å; L37-R74 VanDerWaalsContact C-CD 3.46Å; L37-R74 WeakPolarHBondContact O-CD 3.36Å; L37-R74 PolarHBondContact O-NE 2.83Å; L37-F77 HydrophobicContact CB-CB 4.28Å; L37-F77 HydrophobicContact CB-CD2 4.15Å; L37-F77 HydrophobicContact CB-CG 4.27Å; L37-F77 HydrophobicContact CD2-CD2 4.5Å; L37-F77 WeakPolarHBondContact O-CD1 3.44Å; L37-F77 WeakPolarHBondContact O-CG 3.47Å; L37-Y87 HydrophobicContact CD2-CE1 4.49Å
38R97.6Very high97.1Very high39 Ų3955.4 Ų55.415%0.14730%0.298CS..SBendtrans-87.5132.8-171.3-58.1-55.9-176.7-90.1-8.2113.2I31 R32 Q35 D36 S40 T41 R74I31-R38 PolarHBondContact O-NH1 3.05Å; R32-R38 PolarHBondContact O-NH2 3.29Å; Q35-R38 WeakPolarHBondContact O-CB 3.42Å; Q35-R38 PolarHBondContact O-N 2.86Å; D36-R38 VanDerWaalsContact C-N 3.34Å; R38-S40 PolarHBondContact O-N 3.27Å; R38-T41 PolarHBondContact O-N 3Å; R38-R74 PolarHBondContact O-NH1 2.99Å; R38-R74 PolarHBondContact O-NH2 2.78Å
39P94.9Very high97.1Very high90 Ų9054.7 Ų54.758%0.58429%0.292SS*.THydrogen-bonded Turntrans-43.5-32.1179.2-33.537.4000116.1T41 R74 F77P39-T41 VanDerWaalsContact C-N 3.3Å; P39-T41 PolarHBondContact O-N 3.45Å; P39-R74 VanDerWaalsContact C-NH2 3.34Å; P39-R74 PolarHBondContact O-NH2 2.92Å; P39-F77 HydrophobicContact CG-CE1 4.45Å
40S96Very high97.2Very high107 Ų10752 Ų5275%0.74827%0.273SS*.THydrogen-bonded Turntrans-63.5-28.3176.450.70000114.7R38R38-S40 PolarHBondContact O-N 3.27Å
41T96.6Very high97.2Very high25 Ų2552.7 Ų52.715%0.15328%0.276CS..SBendtrans-84.1127.1179.5-52.50000109.7Q35 R38 P39 E45 L46 R74Q35-T41 WeakPolarHBondContact O-CB 3.43Å; Q35-T41 PolarHBondContact O-OG1 3.4Å; R38-T41 PolarHBondContact O-N 3Å; P39-T41 VanDerWaalsContact C-N 3.3Å; P39-T41 PolarHBondContact O-N 3.45Å; T41-E45 HydrophobicContact CG2-CB 3.81Å; T41-E45 HydrophobicContact CG2-CG 4.26Å; T41-L46 HydrophobicContact CG2-CD1 4.45Å; T41-R74 PolarHBondContact O-NH1 3.49Å; T41-R74 PolarHBondContact O-NH2 3.44Å
42S96.6Very high97.2Very high61 Ų6155.2 Ų55.243%0.42729%0.285SS..  trans-63.9144.9177.6174.70000111.2T44 E45S42-T44 PolarHBondContact O-N 3.44Å; S42-T44 VanDerWaalsContact O-N 3.12Å; S42-T44 PolarHBondContact OG-N 3.18Å; S42-T44 PolarHBondContact OG-OG1 3.03Å; S42-E45 WeakPolarHBondContact O-CB 3.44Å; S42-E45 PolarHBondContact O-N 3.29Å
43L96.5Very high97.2Very high97 Ų9750.8 Ų50.851%0.50828%0.275SS..THydrogen-bonded Turntrans-58.2-26.1174-70.4178.3000112.9E45 L46 F47 L71 R74L43-E45 VanDerWaalsContact C-N 3.26Å; L43-E45 PolarHBondContact O-N 3.47Å; L43-L46 HydrophobicContact CD2-CD2 4.24Å; L43-L46 PolarHBondContact O-N 2.91Å; L43-F47 VanDerWaalsContact O-CD2 3.31Å; L43-F47 WeakPolarHBondContact O-CD2 3.34Å; L43-L71 HydrophobicContact CD2-CD1 3.99Å; L43-R74 HydrophobicContact CD2-CG 4.25Å
44T96.8Very high97.2Very high78 Ų7848.3 Ų48.348%0.47926%0.263SS..THydrogen-bonded Turntrans-66.5-26.9176.255.30000113.1S42 F47S42-T44 PolarHBondContact O-N 3.44Å; S42-T44 VanDerWaalsContact O-N 3.12Å; S42-T44 PolarHBondContact OG-N 3.18Å; S42-T44 PolarHBondContact OG-OG1 3.03Å; T44-F47 PolarHBondContact O-N 3.47Å
45E96.8Very high97.2Very high62 Ų6250 Ų5029%0.2927%0.274SS..G310 helixtrans-72.8-30179.9-62-51.4116.600111.9T41 S42 L43 F47 K48 N49T41-E45 HydrophobicContact CG2-CB 3.81Å; T41-E45 HydrophobicContact CG2-CG 4.26Å; S42-E45 WeakPolarHBondContact O-CB 3.44Å; S42-E45 PolarHBondContact O-N 3.29Å; L43-E45 VanDerWaalsContact C-N 3.26Å; L43-E45 PolarHBondContact O-N 3.47Å; E45-F47 PolarHBondContact O-N 2.84Å; E45-K48 PolarHBondContact O-N 3.32Å; E45-K48 IonicContact OE1-NZ 2.75Å; E45-K48 PolarHBondContact OE1-NZ 3.4Å; E45-N49 PolarHBondContact O-N 2.8Å; E45-N49 PolarHBondContact O-ND2 3.19Å
46L97.1Very high97.1Very high1 Ų147.6 Ų47.61%0.00526%0.264CS..G310 helixtrans-58.9-23.5174.7-78.761.8000112.6D36 T41 L43 P67 V70 L71 R74D36-L46 HydrophobicContact CB-CD1 3.92Å; D36-L46 HydrophobicContact CB-CG 4.11Å; T41-L46 HydrophobicContact CG2-CD1 4.45Å; L43-L46 HydrophobicContact CD2-CD2 4.24Å; L43-L46 PolarHBondContact O-N 2.91Å; L46-P67 VanDerWaalsContact O-CB 3.31Å; L46-P67 WeakPolarHBondContact O-CB 3.26Å; L46-V70 HydrophobicContact CD2-CG1 4.19Å; L46-V70 HydrophobicContact CG-CG1 3.96Å; L46-L71 HydrophobicContact CD2-CB 4.33Å; L46-L71 HydrophobicContact CD2-CD1 4.08Å; L46-R74 HydrophobicContact CD2-CB 4.09Å; L46-R74 HydrophobicContact CD2-CG 4.33Å
47F97.8Very high97Very high87 Ų8754.1 Ų54.138%0.38230%0.298SS..G310 helixtrans-94.9-0.4177.1-64-88.9000113.5L43 T44 E45 P67 F68L43-F47 VanDerWaalsContact O-CD2 3.31Å; L43-F47 WeakPolarHBondContact O-CD2 3.34Å; T44-F47 PolarHBondContact O-N 3.47Å; E45-F47 PolarHBondContact O-N 2.84Å; F47-P67 HydrophobicContact CD1-CB 3.69Å; F47-P67 HydrophobicContact CD1-CG 4.07Å; F47-P67 HydrophobicContact CE1-CB 3.93Å; F47-P67 HydrophobicContact CE1-CG 4.25Å; F47-P67 HydrophobicContact CG-CB 4.26Å; F47-F68 AromaticContact CE1-CE1 3.99Å; F47-F68 HydrophobicContact CE1-CE1 3.99Å; F47-F68 HydrophobicContact CE1-CZ 4.26Å; F47-F68 HydrophobicContact CZ-CE1 4.25Å
48K97.9Very high96.9Very high113 Ų11357 Ų5749%0.49131%0.312SS..THydrogen-bonded Turntrans-113.8-20.8178-62.6176.8-169.8166.30112.9E45 M56E45-K48 PolarHBondContact O-N 3.32Å; E45-K48 IonicContact OE1-NZ 2.75Å; E45-K48 PolarHBondContact OE1-NZ 3.4Å; K48-M56 WeakPolarHBondContact O-CB 3.3Å; K48-M56 PolarHBondContact O-N 3.06Å; K48-M56 VanDerWaalsContact O-N 3.1Å
49N98.2Very high96.8Very high12 Ų1264.6 Ų64.66%0.06435%0.349CS..BIsolated β-bridgetrans-92.9161.7179.7-62.9-18.2000111.4D36 E45 T54 P55D36-N49 PolarHBondContact OD1-ND2 3.05Å; D36-N49 VanDerWaalsContact OD2-CB 3.3Å; D36-N49 WeakPolarHBondContact OD2-CB 3.48Å; D36-N49 PolarHBondContact OD2-ND2 3.19Å; D36-N49 VanDerWaalsContact OD2-ND2 3.11Å; E45-N49 PolarHBondContact O-N 2.8Å; E45-N49 PolarHBondContact O-ND2 3.19Å; N49-T54 CarbonylContact C-O 3.54Å; N49-T54 WeakPolarHBondContact CA-O 3.1Å; N49-P55 WeakPolarHBondContact OD1-CA 3.29Å
50D97.9Very high96.8Very high2 Ų268.9 Ų68.91%0.01135%0.353CS..  trans-77.1179.1165.270.417.8000111.7W52 G53 T54 M56 S61 H62D50-W52 PolarHBondContact O-N 2.91Å; D50-W52 PolarHBondContact OD1-N 3.09Å; D50-G53 PolarHBondContact O-N 2.9Å; D50-G53 VanDerWaalsContact O-N 3.08Å; D50-G53 PolarHBondContact OD1-N 2.96Å; D50-T54 PolarHBondContact N-O 3Å; D50-T54 WeakPolarHBondContact OD1-CB 3.46Å; D50-T54 PolarHBondContact OD1-N 3.14Å; D50-M56 HydrophobicContact CB-CE 3.88Å; D50-S61 WeakPolarHBondContact OD2-CA 3.3Å; D50-S61 WeakPolarHBondContact OD2-CB 3.44Å; D50-S61 PolarHBondContact OD2-OG 3.24Å; D50-H62 PolarHBondContact OD2-N 3.14Å
51F98Very high96.8Very high18 Ų1864.1 Ų64.18%0.07932%0.32CS..THydrogen-bonded Turntrans-55.7-24.8-178.3178.2-113000114.2A30 N34 S64 R66 T69 V70 F73A30-F51 HydrophobicContact CB-CD1 4.39Å; A30-F51 HydrophobicContact CB-CE1 3.59Å; A30-F51 HydrophobicContact CB-CZ 3.7Å; N34-F51 PolarHBondContact ND2-O 3.16Å; F51-S64 VanDerWaalsContact CB-O 3.3Å; F51-S64 WeakPolarHBondContact CB-O 3.36Å; F51-S64 PolarHBondContact N-O 3.27Å; F51-R66 HydrophobicContact CB-CB 4.26Å; F51-R66 HydrophobicContact CB-CG 4.41Å; F51-R66 HydrophobicContact CD2-CB 3.86Å; F51-R66 HydrophobicContact CD2-CG 4.38Å; F51-R66 HydrophobicContact CG-CB 4.44Å; F51-T69 HydrophobicContact CE2-CG2 3.81Å; F51-V70 HydrophobicContact CD2-CG2 4.03Å; F51-F73 AromaticContact CE2-CE2 3.6Å; F51-F73 HydrophobicContact CE2-CE2 3.6Å; F51-F73 HydrophobicContact CE2-CZ 4.23Å; F51-F73 AromaticContact CZ-CE2 3.79Å; F51-F73 HydrophobicContact CZ-CE2 3.79Å; F51-F73 HydrophobicContact CZ-CZ 4.29Å
52W97.5Very high96.7Very high58 Ų5869.7 Ų69.722%0.2234%0.344CS..THydrogen-bonded Turntrans-96.20.9-175.5-45.5108.8000112.9D26 A30 D50 H62 S64D26-W52 HydrophobicContact CB-CH2 3.79Å; D26-W52 HydrophobicContact CB-CZ3 3.93Å; A30-W52 HydrophobicContact CB-CE3 4Å; A30-W52 HydrophobicContact CB-CZ3 3.86Å; D50-W52 PolarHBondContact O-N 2.91Å; D50-W52 PolarHBondContact OD1-N 3.09Å; W52-H62 AromaticContact CD1-CD2 3.81Å; W52-H62 AromaticContact NE1-CD2 3.89Å; W52-H62 AromaticContact NE1-CG 3.79Å; W52-S64 PolarHBondContact NE1-OG 2.93Å
53G97.1Very high96.6Very high21 Ų2171.5 Ų71.522%0.21635%0.345CS..SBendtrans8418.1-177.100000114.2N34 D36 D50N34-G53 VanDerWaalsContact OD1-CA 3.31Å; N34-G53 WeakPolarHBondContact OD1-CA 3.39Å; D36-G53 WeakPolarHBondContact OD2-CA 3.3Å; D50-G53 PolarHBondContact O-N 2.9Å; D50-G53 VanDerWaalsContact O-N 3.08Å; D50-G53 PolarHBondContact OD1-N 2.96Å
54T96.9Very high96.6Very high28 Ų2868.1 Ų68.117%0.17233%0.329CS..  trans-95.8131.1176.5-56.30000110.2N49 D50 M56 E58 R60N49-T54 CarbonylContact C-O 3.54Å; N49-T54 WeakPolarHBondContact CA-O 3.1Å; D50-T54 PolarHBondContact N-O 3Å; D50-T54 WeakPolarHBondContact OD1-CB 3.46Å; D50-T54 PolarHBondContact OD1-N 3.14Å; T54-M56 PolarHBondContact O-N 3.1Å; T54-E58 HydrophobicContact CG2-CB 4.33Å; T54-E58 WeakPolarHBondContact CG2-OE2 3.26Å; T54-R60 HydrophobicContact CG2-CG 3.83Å
55P97.4Very high96.7Very high39 Ų3970.7 Ų70.725%0.25333%0.331SS..BIsolated β-bridgetrans-54131.9176.3-2835.4000113.3N49 N57 E58 S61N49-P55 WeakPolarHBondContact OD1-CA 3.29Å; P55-N57 VanDerWaalsContact CB-OD1 3.27Å; P55-N57 WeakPolarHBondContact CB-OD1 3.47Å; P55-N57 PolarHBondContact O-N 3.11Å; P55-E58 HydrophobicContact CB-CG 4.1Å; P55-E58 HydrophobicContact CG-CG 4.49Å; P55-E58 PolarHBondContact O-N 3.43Å; P55-S61 WeakPolarHBondContact O-CB 3.4Å
56M96.3Very high96.7Very high58 Ų5873.8 Ų73.829%0.28634%0.34SS..THydrogen-bonded Turntrans-62.3-16.6-174-169.362.760.200114K48 D50 T54 K63 Y65K48-M56 WeakPolarHBondContact O-CB 3.3Å; K48-M56 PolarHBondContact O-N 3.06Å; K48-M56 VanDerWaalsContact O-N 3.1Å; D50-M56 HydrophobicContact CB-CE 3.88Å; T54-M56 PolarHBondContact O-N 3.1Å; M56-K63 HydrophobicContact CG-CD 4.49Å; M56-K63 PolarHBondContact O-NZ 3.49Å; M56-K63 VanDerWaalsContact SD-CA 3.52Å; M56-K63 HydrophobicContact SD-CB 3.86Å; M56-K63 HydrophobicContact SD-CD 3.59Å; M56-K63 VanDerWaalsContact SD-CD 3.59Å; M56-K63 HydrophobicContact SD-CG 4.31Å; M56-Y65 HydrophobicContact CE-CD2 4.08Å
57N95.8Very high96.7Very high140 Ų14074.1 Ų74.175%0.74934%0.342SS*.THydrogen-bonded Turntrans-86.9-15.3177.261.8-14.2000113.5P55P55-N57 VanDerWaalsContact CB-OD1 3.27Å; P55-N57 WeakPolarHBondContact CB-OD1 3.47Å; P55-N57 PolarHBondContact O-N 3.11Å
58E95.4Very high96.7Very high60 Ų6076.9 Ų76.928%0.2835%0.354SS..SBendtrans-78.7143.6-179.3-68179.8177.900111.7T54 P55 R60 S61 K63T54-E58 HydrophobicContact CG2-CB 4.33Å; T54-E58 WeakPolarHBondContact CG2-OE2 3.26Å; P55-E58 HydrophobicContact CB-CG 4.1Å; P55-E58 HydrophobicContact CG-CG 4.49Å; P55-E58 PolarHBondContact O-N 3.43Å; E58-R60 VanDerWaalsContact C-N 3.26Å; E58-R60 HydrophobicContact CB-CG 4.23Å; E58-R60 PolarHBondContact O-N 3.14Å; E58-R60 IonicContact OE1-NH2 2.75Å; E58-R60 PolarHBondContact OE1-NH2 3.35Å; E58-R60 IonicContact OE2-CZ 3.12Å; E58-R60 IonicContact OE2-NE 2.67Å; E58-R60 PolarHBondContact OE2-NE 3.01Å; E58-R60 IonicContact OE2-NH2 2.91Å; E58-R60 PolarHBondContact OE2-NH2 2.99Å; E58-S61 WeakPolarHBondContact O-CB 3.41Å; E58-S61 PolarHBondContact O-N 3.22Å; E58-S61 VanDerWaalsContact O-N 3.12Å; E58-K63 PolarHBondContact O-NZ 2.95Å
59E95.6Very high96.7Very high199 Ų19974.3 Ų74.393%0.9335%0.348SS*.THydrogen-bonded Turntrans-61.8-33.4-179.9-66.7-175.4171.100113.1S61E59-S61 PolarHBondContact O-N 3.37Å
60R94.4Very high96.7Very high180 Ų18073.8 Ų73.868%0.67935%0.345SS*.THydrogen-bonded Turntrans-73.5-9.6178.367178.6175.9-168.8-6.4113.9T54 E58T54-R60 HydrophobicContact CG2-CG 3.83Å; E58-R60 VanDerWaalsContact C-N 3.26Å; E58-R60 HydrophobicContact CB-CG 4.23Å; E58-R60 PolarHBondContact O-N 3.14Å; E58-R60 IonicContact OE1-NH2 2.75Å; E58-R60 PolarHBondContact OE1-NH2 3.35Å; E58-R60 IonicContact OE2-CZ 3.12Å; E58-R60 IonicContact OE2-NE 2.67Å; E58-R60 PolarHBondContact OE2-NE 3.01Å; E58-R60 IonicContact OE2-NH2 2.91Å; E58-R60 PolarHBondContact OE2-NH2 2.99Å
61S95.3Very high96.7Very high8 Ų876.2 Ų76.26%0.05636%0.358CS..  trans-68.9134.2176.81720000110.5D50 P55 E58 E59 K63D50-S61 WeakPolarHBondContact OD2-CA 3.3Å; D50-S61 WeakPolarHBondContact OD2-CB 3.44Å; D50-S61 PolarHBondContact OD2-OG 3.24Å; P55-S61 WeakPolarHBondContact O-CB 3.4Å; E58-S61 WeakPolarHBondContact O-CB 3.41Å; E58-S61 PolarHBondContact O-N 3.22Å; E58-S61 VanDerWaalsContact O-N 3.12Å; E59-S61 PolarHBondContact O-N 3.37Å; S61-K63 PolarHBondContact O-N 3.2Å; S61-K63 PolarHBondContact OG-N 3.26Å; S61-K63 VanDerWaalsContact OG-N 3.11Å
62H94.9Very high96.6Very high142 Ų14278.6 Ų78.666%0.65737%0.374SS*.  trans-73.7-4.6175-74-95.8000112.9D50 W52 S64D50-H62 PolarHBondContact OD2-N 3.14Å; W52-H62 AromaticContact CD1-CD2 3.81Å; W52-H62 AromaticContact NE1-CD2 3.89Å; W52-H62 AromaticContact NE1-CG 3.79Å; H62-S64 PolarHBondContact O-N 3.23Å; H62-S64 VanDerWaalsContact O-N 3.1Å
63K95.6Very high96.6Very high99 Ų9977.2 Ų77.243%0.4337%0.37SS..  trans58.219.6-177.7-42.9-58.6178.2-1740114.4M56 E58 S61 Y65M56-K63 HydrophobicContact CG-CD 4.49Å; M56-K63 PolarHBondContact O-NZ 3.49Å; M56-K63 VanDerWaalsContact SD-CA 3.52Å; M56-K63 HydrophobicContact SD-CB 3.86Å; M56-K63 HydrophobicContact SD-CD 3.59Å; M56-K63 VanDerWaalsContact SD-CD 3.59Å; M56-K63 HydrophobicContact SD-CG 4.31Å; E58-K63 PolarHBondContact O-NZ 2.95Å; S61-K63 PolarHBondContact O-N 3.2Å; S61-K63 PolarHBondContact OG-N 3.26Å; S61-K63 VanDerWaalsContact OG-N 3.11Å; K63-Y65 PolarHBondContact O-N 2.93Å
64S96.5Very high96.7Very high25 Ų2577 Ų7718%0.17536%0.362CS..  trans-7880.7178.746.10000111F51 W52 H62 R66F51-S64 VanDerWaalsContact CB-O 3.3Å; F51-S64 WeakPolarHBondContact CB-O 3.36Å; F51-S64 PolarHBondContact N-O 3.27Å; W52-S64 PolarHBondContact NE1-OG 2.93Å; H62-S64 PolarHBondContact O-N 3.23Å; H62-S64 VanDerWaalsContact O-N 3.1Å; S64-R66 PolarHBondContact O-N 2.79Å
65Y97.3Very high96.7Very high132 Ų13278.9 Ų78.952%0.51837%0.374SS..  trans-73.9108.8-177.3-174.4-114.3000113M56 K63 P67M56-Y65 HydrophobicContact CE-CD2 4.08Å; K63-Y65 PolarHBondContact O-N 2.93Å; Y65-P67 HydrophobicContact CD1-CG 4.46Å; Y65-P67 HydrophobicContact CE1-CG 3.81Å; Y65-P67 HydrophobicContact CE2-CB 4.24Å; Y65-P67 HydrophobicContact CE2-CG 3.9Å
66R97.6Very high96.7Very high128 Ų12877.5 Ų77.548%0.48336%0.364SS..  trans-143.955.2-177.9-59-179.7-172.7168.8-0.2112.5F51 S64 F68 T69 V70F51-R66 HydrophobicContact CB-CB 4.26Å; F51-R66 HydrophobicContact CB-CG 4.41Å; F51-R66 HydrophobicContact CD2-CB 3.86Å; F51-R66 HydrophobicContact CD2-CG 4.38Å; F51-R66 HydrophobicContact CG-CB 4.44Å; S64-R66 PolarHBondContact O-N 2.79Å; R66-F68 VanDerWaalsContact C-N 3.31Å; R66-F68 PolarHBondContact O-N 2.89Å; R66-T69 PolarHBondContact O-N 2.87Å; R66-T69 VanDerWaalsContact O-N 3.15Å; R66-V70 PolarHBondContact O-N 3.11Å
67P97.8Very high96.8Very high8 Ų875.8 Ų75.85%0.05236%0.355CS..Hα-helixtrans-61.8-36.6-168.929-39.8000113L46 F47 Y65 V70 L71L46-P67 VanDerWaalsContact O-CB 3.31Å; L46-P67 WeakPolarHBondContact O-CB 3.26Å; F47-P67 HydrophobicContact CD1-CB 3.69Å; F47-P67 HydrophobicContact CD1-CG 4.07Å; F47-P67 HydrophobicContact CE1-CB 3.93Å; F47-P67 HydrophobicContact CE1-CG 4.25Å; F47-P67 HydrophobicContact CG-CB 4.26Å; Y65-P67 HydrophobicContact CD1-CG 4.46Å; Y65-P67 HydrophobicContact CE1-CG 3.81Å; Y65-P67 HydrophobicContact CE2-CB 4.24Å; Y65-P67 HydrophobicContact CE2-CG 3.9Å; P67-V70 PolarHBondContact O-N 3.1Å; P67-L71 WeakPolarHBondContact O-CB 3.34Å; P67-L71 PolarHBondContact O-N 3.16Å
68F97.8Very high96.9Very high144 Ų14474.3 Ų74.363%0.63235%0.346SS*.Hα-helixtrans-70.9-32.3-179.4-64.2-59000112.7F47 R66 L71 T72F47-F68 AromaticContact CE1-CE1 3.99Å; F47-F68 HydrophobicContact CE1-CE1 3.99Å; F47-F68 HydrophobicContact CE1-CZ 4.26Å; F47-F68 HydrophobicContact CZ-CE1 4.25Å; R66-F68 VanDerWaalsContact C-N 3.31Å; R66-F68 PolarHBondContact O-N 2.89Å; F68-L71 HydrophobicContact CD1-CD2 4.42Å; F68-L71 WeakPolarHBondContact O-CB 3.33Å; F68-L71 PolarHBondContact O-N 2.9Å; F68-T72 WeakPolarHBondContact O-CG2 3.34Å; F68-T72 PolarHBondContact O-N 3.15Å
69T97Very high97Very high59 Ų5978.6 Ų78.636%0.36237%0.365SS..Hα-helixtrans-66.5-46171.9-46.80000110.4F51 R66 L71 T72 F73F51-T69 HydrophobicContact CE2-CG2 3.81Å; R66-T69 PolarHBondContact O-N 2.87Å; R66-T69 VanDerWaalsContact O-N 3.15Å; T69-L71 PolarHBondContact O-N 3.35Å; T69-T72 PolarHBondContact O-N 3.16Å; T69-T72 VanDerWaalsContact O-N 3.13Å; T69-T72 PolarHBondContact O-OG1 3.44Å; T69-F73 HydrophobicContact CG2-CE1 4.16Å; T69-F73 HydrophobicContact CG2-CE2 4.01Å; T69-F73 HydrophobicContact CG2-CZ 3.7Å; T69-F73 WeakPolarHBondContact O-CG 3.18Å; T69-F73 PolarHBondContact O-N 3.42Å; T69-F73 VanDerWaalsContact O-N 3.13Å
70V98.1Very high97.1Very high2 Ų273 Ų731%0.01234%0.338CS..Hα-helixtrans-62.4-35.1176-177.30000110.8D36 L37 L46 F51 R66 P67 F73 R74D36-V70 HydrophobicContact CB-CG1 3.7Å; L37-V70 HydrophobicContact CD1-CG1 4.11Å; L46-V70 HydrophobicContact CD2-CG1 4.19Å; L46-V70 HydrophobicContact CG-CG1 3.96Å; F51-V70 HydrophobicContact CD2-CG2 4.03Å; R66-V70 PolarHBondContact O-N 3.11Å; P67-V70 PolarHBondContact O-N 3.1Å; V70-F73 WeakPolarHBondContact O-CB 3.47Å; V70-F73 PolarHBondContact O-N 2.87Å; V70-R74 WeakPolarHBondContact O-CB 3.31Å; V70-R74 PolarHBondContact O-N 2.96Å
71L97.6Very high97.2Very high52 Ų5270.9 Ų70.927%0.27234%0.336SS..Hα-helixtrans-63.5-40.9174.6-175.764000112.3L43 L46 P67 F68 T69 F73 R74 V75L43-L71 HydrophobicContact CD2-CD1 3.99Å; L46-L71 HydrophobicContact CD2-CB 4.33Å; L46-L71 HydrophobicContact CD2-CD1 4.08Å; P67-L71 WeakPolarHBondContact O-CB 3.34Å; P67-L71 PolarHBondContact O-N 3.16Å; F68-L71 HydrophobicContact CD1-CD2 4.42Å; F68-L71 WeakPolarHBondContact O-CB 3.33Å; F68-L71 PolarHBondContact O-N 2.9Å; T69-L71 PolarHBondContact O-N 3.35Å; L71-F73 VanDerWaalsContact C-N 3.29Å; L71-F73 PolarHBondContact O-N 3.18Å; L71-R74 PolarHBondContact O-N 3.43Å; L71-V75 WeakPolarHBondContact O-CG2 3.36Å; L71-V75 PolarHBondContact O-N 2.81Å
72T96.7Very high97.3Very high69 Ų6973.8 Ų73.842%0.42335%0.351SS..Hα-helixtrans-64.2-38.2174.766.90000111.1F68 T69 V75 N76F68-T72 WeakPolarHBondContact O-CG2 3.34Å; F68-T72 PolarHBondContact O-N 3.15Å; T69-T72 PolarHBondContact O-N 3.16Å; T69-T72 VanDerWaalsContact O-N 3.13Å; T69-T72 PolarHBondContact O-OG1 3.44Å; T72-V75 PolarHBondContact O-N 3.14Å; T72-N76 WeakPolarHBondContact O-CB 3.45Å; T72-N76 PolarHBondContact O-N 2.94Å
73F98Very high97.5Very high28 Ų2869.4 Ų69.412%0.12334%0.336CS..Hα-helixtrans-65.7-39.1174.6-58.3-21.4000112.7A30 I31 L37 F51 T69 V70 L71 N76 F77 Y87A30-F73 HydrophobicContact CB-CE2 4.3Å; I31-F73 HydrophobicContact CG1-CD2 4.09Å; I31-F73 HydrophobicContact CG1-CE2 4.23Å; I31-F73 HydrophobicContact CG1-CG 4.31Å; L37-F73 HydrophobicContact CD1-CB 3.93Å; L37-F73 HydrophobicContact CD2-CB 3.76Å; L37-F73 HydrophobicContact CG-CB 3.85Å; F51-F73 AromaticContact CE2-CE2 3.6Å; F51-F73 HydrophobicContact CE2-CE2 3.6Å; F51-F73 HydrophobicContact CE2-CZ 4.23Å; F51-F73 AromaticContact CZ-CE2 3.79Å; F51-F73 HydrophobicContact CZ-CE2 3.79Å; F51-F73 HydrophobicContact CZ-CZ 4.29Å; T69-F73 HydrophobicContact CG2-CE1 4.16Å; T69-F73 HydrophobicContact CG2-CE2 4.01Å; T69-F73 HydrophobicContact CG2-CZ 3.7Å; T69-F73 WeakPolarHBondContact O-CG 3.18Å; T69-F73 PolarHBondContact O-N 3.42Å; T69-F73 VanDerWaalsContact O-N 3.13Å; V70-F73 WeakPolarHBondContact O-CB 3.47Å; V70-F73 PolarHBondContact O-N 2.87Å; L71-F73 VanDerWaalsContact C-N 3.29Å; L71-F73 PolarHBondContact O-N 3.18Å; F73-N76 PolarHBondContact O-N 3.23Å; F73-F77 WeakPolarHBondContact O-CB 3.47Å; F73-F77 PolarHBondContact O-N 3Å; F73-Y87 HydrophobicContact CB-CE1 4.25Å; F73-Y87 HydrophobicContact CD1-CD1 4.44Å; F73-Y87 HydrophobicContact CD1-CE1 4.46Å; F73-Y87 PolarHBondContact O-OH 3.29Å
74R98Very high97.6Very high18 Ų1866.2 Ų66.27%0.06833%0.325CS..Hα-helixtrans-62.8-44.2174.8175.854.9169.5-106-2.4111.3D36 L37 R38 P39 T41 L43 L46 V70 L71 N76 F77 L78D36-R74 PolarHBondContact O-NH1 3.29Å; L37-R74 VanDerWaalsContact C-CD 3.46Å; L37-R74 WeakPolarHBondContact O-CD 3.36Å; L37-R74 PolarHBondContact O-NE 2.83Å; R38-R74 PolarHBondContact O-NH1 2.99Å; R38-R74 PolarHBondContact O-NH2 2.78Å; P39-R74 VanDerWaalsContact C-NH2 3.34Å; P39-R74 PolarHBondContact O-NH2 2.92Å; T41-R74 PolarHBondContact O-NH1 3.49Å; T41-R74 PolarHBondContact O-NH2 3.44Å; L43-R74 HydrophobicContact CD2-CG 4.25Å; L46-R74 HydrophobicContact CD2-CB 4.09Å; L46-R74 HydrophobicContact CD2-CG 4.33Å; V70-R74 WeakPolarHBondContact O-CB 3.31Å; V70-R74 PolarHBondContact O-N 2.96Å; L71-R74 PolarHBondContact O-N 3.43Å; R74-N76 VanDerWaalsContact C-N 3.33Å; R74-F77 PolarHBondContact O-N 3.33Å; R74-L78 WeakPolarHBondContact O-CG 3.43Å; R74-L78 PolarHBondContact O-N 3.23Å
75V97.8Very high97.6Very high67 Ų6767.2 Ų67.241%0.40633%0.332SS..Hα-helixtrans-63.3-42.7174.9172.50000110.4L71 T72 F77 L78 F79L71-V75 WeakPolarHBondContact O-CG2 3.36Å; L71-V75 PolarHBondContact O-N 2.81Å; T72-V75 PolarHBondContact O-N 3.14Å; V75-F77 VanDerWaalsContact C-N 3.33Å; V75-F77 PolarHBondContact O-N 2.87Å; V75-L78 WeakPolarHBondContact O-CB 3.19Å; V75-L78 PolarHBondContact O-N 3.2Å; V75-L78 VanDerWaalsContact O-N 3.14Å; V75-F79 HydrophobicContact CG1-CD2 4.31Å; V75-F79 HydrophobicContact CG1-CE2 3.81Å; V75-F79 WeakPolarHBondContact O-CD2 3.4Å
76N98Very high97.6Very high9 Ų961 Ų615%0.04831%0.308CS..Hα-helixtrans-64-39.5178.7-153.3-16.4000112.5T72 F73 R74 L78 F79 H80 G86 Y87 T90T72-N76 WeakPolarHBondContact O-CB 3.45Å; T72-N76 PolarHBondContact O-N 2.94Å; F73-N76 PolarHBondContact O-N 3.23Å; R74-N76 VanDerWaalsContact C-N 3.33Å; N76-L78 PolarHBondContact O-N 3.37Å; N76-F79 PolarHBondContact O-N 3.47Å; N76-H80 PolarHBondContact O-N 3.2Å; N76-H80 PolarHBondContact OD1-ND1 2.82Å; N76-G86 PolarHBondContact ND2-O 3.16Å; N76-G86 VanDerWaalsContact ND2-O 3.12Å; N76-G86 PolarHBondContact OD1-O 3.29Å; N76-Y87 HydrophobicContact CB-CD1 4.1Å; N76-Y87 HydrophobicContact CB-CE1 3.73Å; N76-Y87 VanDerWaalsContact ND2-CA 3.3Å; N76-Y87 WeakPolarHBondContact ND2-CA 3.47Å; N76-T90 WeakPolarHBondContact ND2-CB 3.43Å; N76-T90 PolarHBondContact ND2-OG1 2.9Å
77F98.3Very high97.7Very high23 Ų2355.1 Ų55.110%0.10129%0.286CS..Hα-helixtrans-58-34174.5-170.6-83.9000112.2L37 P39 F73 R74 V75 F79 E81 L82 Y87L37-F77 HydrophobicContact CB-CB 4.28Å; L37-F77 HydrophobicContact CB-CD2 4.15Å; L37-F77 HydrophobicContact CB-CG 4.27Å; L37-F77 HydrophobicContact CD2-CD2 4.5Å; L37-F77 WeakPolarHBondContact O-CD1 3.44Å; L37-F77 WeakPolarHBondContact O-CG 3.47Å; P39-F77 HydrophobicContact CG-CE1 4.45Å; F73-F77 WeakPolarHBondContact O-CB 3.47Å; F73-F77 PolarHBondContact O-N 3Å; R74-F77 PolarHBondContact O-N 3.33Å; V75-F77 VanDerWaalsContact C-N 3.33Å; V75-F77 PolarHBondContact O-N 2.87Å; F77-F79 PolarHBondContact O-N 2.94Å; F77-E81 VanDerWaalsContact CD2-O 3.27Å; F77-E81 WeakPolarHBondContact CD2-O 3.28Å; F77-E81 HydrophobicContact CE2-CB 4.39Å; F77-E81 HydrophobicContact CZ-CB 4.34Å; F77-E81 WeakPolarHBondContact O-CA 3.3Å; F77-E81 PolarHBondContact O-N 2.9Å; F77-L82 HydrophobicContact CD2-CD2 4.01Å; F77-L82 HydrophobicContact CD2-CG 4.46Å; F77-L82 HydrophobicContact CE2-CD2 3.7Å; F77-L82 HydrophobicContact CE2-CG 3.78Å; F77-Y87 WeakPolarHBondContact CA-OH 3.41Å; F77-Y87 WeakPolarHBondContact CB-OH 3.5Å; F77-Y87 PolarHBondContact N-OH 3.46Å
78L97.2Very high97.7Very high108 Ų10855.7 Ų55.757%0.56529%0.288SS*.Hα-helixtrans-63.5-27.6176.9-63.1173.7000113.1R74 V75 N76R74-L78 WeakPolarHBondContact O-CG 3.43Å; R74-L78 PolarHBondContact O-N 3.23Å; V75-L78 WeakPolarHBondContact O-CB 3.19Å; V75-L78 PolarHBondContact O-N 3.2Å; V75-L78 VanDerWaalsContact O-N 3.14Å; N76-L78 PolarHBondContact O-N 3.37Å
79F97.4Very high97.7Very high151 Ų15150.7 Ų50.766%0.66227%0.273SS*.Hα-helixtrans-101.4-33.3-177-63.5-71000113.2V75 N76 F77V75-F79 HydrophobicContact CG1-CD2 4.31Å; V75-F79 HydrophobicContact CG1-CE2 3.81Å; V75-F79 WeakPolarHBondContact O-CD2 3.4Å; N76-F79 PolarHBondContact O-N 3.47Å; F77-F79 PolarHBondContact O-N 2.94Å
80H97.4Very high97.7Very high82 Ų8250 Ų5038%0.3827%0.269SS..Hα-helixtrans-129.32.1-170.2-54.5109.7000114N76 L82 S83N76-H80 PolarHBondContact O-N 3.2Å; N76-H80 PolarHBondContact OD1-ND1 2.82Å; H80-L82 PolarHBondContact O-N 3.15Å; H80-L82 VanDerWaalsContact O-N 3.15Å; H80-S83 WeakPolarHBondContact O-CB 3.41Å; H80-S83 PolarHBondContact O-N 2.89Å
81E97.4Very high97.6Very high135 Ų13552 Ų5263%0.63128%0.28SS*.THydrogen-bonded Turntrans47-116.5-176-61.2-175.3173.900112.2F77 Y87F77-E81 VanDerWaalsContact CD2-O 3.27Å; F77-E81 WeakPolarHBondContact CD2-O 3.28Å; F77-E81 HydrophobicContact CE2-CB 4.39Å; F77-E81 HydrophobicContact CZ-CB 4.34Å; F77-E81 WeakPolarHBondContact O-CA 3.3Å; F77-E81 PolarHBondContact O-N 2.9Å; E81-Y87 VanDerWaalsContact O-CE2 3.27Å; E81-Y87 WeakPolarHBondContact O-CE2 3.21Å; E81-Y87 PolarHBondContact O-OH 3.01Å
82L97.5Very high97.7Very high69 Ų6950 Ų5036%0.36127%0.27SS..THydrogen-bonded Turntrans-105.323.1177.8-64.1178.8000112.7F23 I31 R32 F77 H80 P84F23-L82 HydrophobicContact CE2-CB 4.39Å; F23-L82 VanDerWaalsContact CE2-O 3.28Å; F23-L82 WeakPolarHBondContact CE2-O 3.23Å; I31-L82 HydrophobicContact CG2-CD2 4.4Å; R32-L82 HydrophobicContact CG-CD1 4.23Å; F77-L82 HydrophobicContact CD2-CD2 4.01Å; F77-L82 HydrophobicContact CD2-CG 4.46Å; F77-L82 HydrophobicContact CE2-CD2 3.7Å; F77-L82 HydrophobicContact CE2-CG 3.78Å; H80-L82 PolarHBondContact O-N 3.15Å; H80-L82 VanDerWaalsContact O-N 3.15Å; L82-P84 VanDerWaalsContact O-CD 3.23Å; L82-P84 WeakPolarHBondContact O-CD 3.27Å
83S98Very high97.7Very high50 Ų5051.1 Ų51.135%0.3528%0.276SS..  trans-76.8111.6172.7-178.60000110.2H80 S85 G86 Y87H80-S83 WeakPolarHBondContact O-CB 3.41Å; H80-S83 PolarHBondContact O-N 2.89Å; S83-S85 PolarHBondContact O-N 3.42Å; S83-S85 PolarHBondContact OG-OG 2.79Å; S83-G86 PolarHBondContact O-N 3.06Å; S83-G86 VanDerWaalsContact O-N 3.11Å; S83-Y87 WeakPolarHBondContact O-CD2 3.35Å
84P97.7Very high97.7Very high31 Ų3154 Ų5420%0.20129%0.292CS..Hα-helixtrans-59.6-34.7-176.5-23.235000112.8C21 F23 L82 G86 Y87 H88C21-P84 WeakPolarHBondContact O-CB 3.37Å; F23-P84 HydrophobicContact CD1-CB 4.08Å; F23-P84 HydrophobicContact CD1-CG 4.31Å; F23-P84 HydrophobicContact CD2-CG 3.86Å; F23-P84 HydrophobicContact CE1-CB 3.95Å; F23-P84 HydrophobicContact CE1-CG 4.26Å; F23-P84 HydrophobicContact CE2-CB 4.38Å; F23-P84 HydrophobicContact CE2-CG 3.81Å; F23-P84 HydrophobicContact CG-CB 4.36Å; F23-P84 HydrophobicContact CG-CG 4.11Å; F23-P84 HydrophobicContact CZ-CB 4.1Å; F23-P84 HydrophobicContact CZ-CG 4.01Å; L82-P84 VanDerWaalsContact O-CD 3.23Å; L82-P84 WeakPolarHBondContact O-CD 3.27Å; P84-G86 PolarHBondContact O-N 3.25Å; P84-G86 VanDerWaalsContact O-N 3.16Å; P84-Y87 WeakPolarHBondContact O-CA 3.29Å; P84-Y87 WeakPolarHBondContact O-CB 3.38Å; P84-Y87 PolarHBondContact O-N 3.02Å; P84-H88 PolarHBondContact O-CD2 3.12Å; P84-H88 VanDerWaalsContact O-CD2 3.23Å; P84-H88 PolarHBondContact O-N 3.41Å
85S97.7Very high97.7Very high46 Ų4653.8 Ų53.832%0.32229%0.292SS..Hα-helixtrans-54.1-35.1177.764.20000113.4L19 S83 A89L19-S85 WeakPolarHBondContact O-CB 3.44Å; S83-S85 PolarHBondContact O-N 3.42Å; S83-S85 PolarHBondContact OG-OG 2.79Å; S85-A89 WeakPolarHBondContact O-CB 3.18Å; S85-A89 PolarHBondContact O-N 3.31Å
86G97.7Very high97.7Very high2 Ų251 Ų512%0.02128%0.275CS..Hα-helixtrans-70.7-31.2176.600000113.6N76 S83 P84 T90N76-G86 PolarHBondContact ND2-O 3.16Å; N76-G86 VanDerWaalsContact ND2-O 3.12Å; N76-G86 PolarHBondContact OD1-O 3.29Å; S83-G86 PolarHBondContact O-N 3.06Å; S83-G86 VanDerWaalsContact O-N 3.11Å; P84-G86 PolarHBondContact O-N 3.25Å; P84-G86 VanDerWaalsContact O-N 3.16Å; G86-T90 WeakPolarHBondContact O-CB 3.49Å; G86-T90 PolarHBondContact O-N 3.42Å; G86-T90 VanDerWaalsContact O-N 3.16Å; G86-T90 PolarHBondContact O-OG1 3.46Å
87Y98Very high97.6Very high5 Ų554.1 Ų54.12%0.0230%0.295CS..Hα-helixtrans-72.1-51.3174.3-67.7-95.5000111.4F23 I31 L37 F73 N76 F77 E81 S83 P84 A89 T90 N91F23-Y87 AromaticContact CE1-CD2 3.77Å; F23-Y87 HydrophobicContact CE1-CD2 3.77Å; F23-Y87 HydrophobicContact CE1-CE2 4.33Å; F23-Y87 AromaticContact CE1-CG 3.97Å; F23-Y87 HydrophobicContact CE1-CG 3.97Å; F23-Y87 AromaticContact CZ-CD2 3.58Å; F23-Y87 HydrophobicContact CZ-CD2 3.58Å; F23-Y87 AromaticContact CZ-CE2 3.78Å; F23-Y87 HydrophobicContact CZ-CE2 3.78Å; F23-Y87 HydrophobicContact CZ-CG 4.24Å; I31-Y87 HydrophobicContact CD1-CD1 3.73Å; I31-Y87 HydrophobicContact CD1-CE1 4.05Å; I31-Y87 HydrophobicContact CD1-CG 4.25Å; I31-Y87 HydrophobicContact CG1-CD1 4.46Å; I31-Y87 HydrophobicContact CG1-CE1 4.3Å; I31-Y87 HydrophobicContact CG2-CD1 4.21Å; I31-Y87 HydrophobicContact CG2-CE1 3.59Å; I31-Y87 HydrophobicContact CG2-CE2 3.97Å; I31-Y87 VanDerWaalsContact CG2-CZ 3.46Å; L37-Y87 HydrophobicContact CD2-CE1 4.49Å; F73-Y87 HydrophobicContact CB-CE1 4.25Å; F73-Y87 HydrophobicContact CD1-CD1 4.44Å; F73-Y87 HydrophobicContact CD1-CE1 4.46Å; F73-Y87 PolarHBondContact O-OH 3.29Å; N76-Y87 HydrophobicContact CB-CD1 4.1Å; N76-Y87 HydrophobicContact CB-CE1 3.73Å; N76-Y87 VanDerWaalsContact ND2-CA 3.3Å; N76-Y87 WeakPolarHBondContact ND2-CA 3.47Å; F77-Y87 WeakPolarHBondContact CA-OH 3.41Å; F77-Y87 WeakPolarHBondContact CB-OH 3.5Å; F77-Y87 PolarHBondContact N-OH 3.46Å; E81-Y87 VanDerWaalsContact O-CE2 3.27Å; E81-Y87 WeakPolarHBondContact O-CE2 3.21Å; E81-Y87 PolarHBondContact O-OH 3.01Å; S83-Y87 WeakPolarHBondContact O-CD2 3.35Å; P84-Y87 WeakPolarHBondContact O-CA 3.29Å; P84-Y87 WeakPolarHBondContact O-CB 3.38Å; P84-Y87 PolarHBondContact O-N 3.02Å; Y87-A89 PolarHBondContact O-N 3.25Å; Y87-T90 WeakPolarHBondContact O-CB 3.46Å; Y87-T90 PolarHBondContact O-N 2.88Å; Y87-T90 VanDerWaalsContact O-N 3.15Å; Y87-N91 PolarHBondContact O-N 3.46Å
88H97.6Very high97.6Very high19 Ų1956.5 Ų56.59%0.08831%0.311CS..Hα-helixtrans-60.2-42.9175.6-65.7-53000112.3S18 L19 P84 T90 N91 I92 V132S18-H88 PolarHBondContact O-CD2 3.35Å; L19-H88 HydrophobicContact CD2-CB 4Å; P84-H88 PolarHBondContact O-CD2 3.12Å; P84-H88 VanDerWaalsContact O-CD2 3.23Å; P84-H88 PolarHBondContact O-N 3.41Å; H88-T90 VanDerWaalsContact C-N 3.29Å; H88-T90 PolarHBondContact O-N 3.29Å; H88-N91 PolarHBondContact O-N 3.14Å; H88-I92 VanDerWaalsContact O-CG1 3.26Å; H88-I92 WeakPolarHBondContact O-CG1 3.39Å; H88-I92 PolarHBondContact O-N 3.44Å; H88-V132 PolarHBondContact ND1-O 2.9Å
89A97.9Very high97.7Very high39 Ų3951.4 Ų51.432%0.32228%0.284SS..Hα-helixtrans-58.8-43175.600000112L19 S85 Y87 I92 V93L19-A89 HydrophobicContact CD2-CB 3.72Å; S85-A89 WeakPolarHBondContact O-CB 3.18Å; S85-A89 PolarHBondContact O-N 3.31Å; Y87-A89 PolarHBondContact O-N 3.25Å; A89-I92 PolarHBondContact O-N 3.3Å; A89-V93 WeakPolarHBondContact O-CG2 3.42Å; A89-V93 PolarHBondContact O-N 3.41Å; A89-V93 VanDerWaalsContact O-N 3.14Å
90T97.4Very high97.7Very high46 Ų4647.6 Ų47.628%0.28227%0.267SS..Hα-helixtrans-63.1-45176.6-62.30000111.1N76 G86 Y87 H88 I92 V93 L94N76-T90 WeakPolarHBondContact ND2-CB 3.43Å; N76-T90 PolarHBondContact ND2-OG1 2.9Å; G86-T90 WeakPolarHBondContact O-CB 3.49Å; G86-T90 PolarHBondContact O-N 3.42Å; G86-T90 VanDerWaalsContact O-N 3.16Å; G86-T90 PolarHBondContact O-OG1 3.46Å; Y87-T90 WeakPolarHBondContact O-CB 3.46Å; Y87-T90 PolarHBondContact O-N 2.88Å; Y87-T90 VanDerWaalsContact O-N 3.15Å; H88-T90 VanDerWaalsContact C-N 3.29Å; H88-T90 PolarHBondContact O-N 3.29Å; T90-I92 PolarHBondContact O-N 3.13Å; T90-V93 PolarHBondContact O-N 2.82Å; T90-L94 HydrophobicContact CG2-CD1 4.05Å; T90-L94 HydrophobicContact CG2-CG 4.45Å; T90-L94 WeakPolarHBondContact O-CG 3.47Å; T90-L94 PolarHBondContact O-N 2.88Å
91N97.3Very high97.8Very high42 Ų4248.5 Ų48.523%0.22527%0.274CS..Hα-helixtrans-65.1-39.4179.1-65.6-13.8000112.3Y87 H88 V93 L94 H95 A131 V132Y87-N91 PolarHBondContact O-N 3.46Å; H88-N91 PolarHBondContact O-N 3.14Å; N91-V93 VanDerWaalsContact C-N 3.33Å; N91-V93 PolarHBondContact O-N 3.01Å; N91-L94 PolarHBondContact O-N 2.84Å; N91-H95 VanDerWaalsContact O-CB 3.31Å; N91-H95 WeakPolarHBondContact O-CB 3.4Å; N91-H95 PolarHBondContact O-N 3.23Å; N91-A131 PolarHBondContact ND2-O 2.67Å; N91-V132 WeakPolarHBondContact CB-O 3.34Å; N91-V132 PolarHBondContact ND2-O 2.75Å
92I98.3Very high97.8Very high12 Ų1244.9 Ų44.96%0.06226%0.257CS..Hα-helixtrans-59.3-44.1174.7-70.7167.9000111.3Y15 L19 H88 A89 T90 S96 V132Y15-I92 WeakPolarHBondContact O-CD1 3.27Å; L19-I92 HydrophobicContact CD2-CD1 3.86Å; L19-I92 HydrophobicContact CG-CD1 3.97Å; H88-I92 VanDerWaalsContact O-CG1 3.26Å; H88-I92 WeakPolarHBondContact O-CG1 3.39Å; H88-I92 PolarHBondContact O-N 3.44Å; A89-I92 PolarHBondContact O-N 3.3Å; T90-I92 PolarHBondContact O-N 3.13Å; I92-S96 WeakPolarHBondContact O-CB 3.23Å; I92-S96 PolarHBondContact O-N 3.37Å; I92-S96 PolarHBondContact O-OG 3.27Å; I92-V132 HydrophobicContact CB-CG1 4.48Å; I92-V132 HydrophobicContact CG1-CG1 3.79Å
93V97.5Very high97.8Very high92 Ų9241.6 Ų41.656%0.55824%0.24SC*.Hα-helixtrans-64.2-48.3177.1171.70000110.4A89 T90 N91 H95 S96 V97A89-V93 WeakPolarHBondContact O-CG2 3.42Å; A89-V93 PolarHBondContact O-N 3.41Å; A89-V93 VanDerWaalsContact O-N 3.14Å; T90-V93 PolarHBondContact O-N 2.82Å; N91-V93 VanDerWaalsContact C-N 3.33Å; N91-V93 PolarHBondContact O-N 3.01Å; V93-H95 PolarHBondContact O-N 3.08Å; V93-S96 PolarHBondContact O-N 3.41Å; V93-V97 WeakPolarHBondContact O-CG2 3.42Å; V93-V97 PolarHBondContact O-N 2.82Å
94L97.1Very high97.8Very high88 Ų8843 Ų4346%0.46124%0.24SC..Hα-helixtrans-61.8-43.8178.8-69.8175.8000111.9T90 N91 S96 V97 V98T90-L94 HydrophobicContact CG2-CD1 4.05Å; T90-L94 HydrophobicContact CG2-CG 4.45Å; T90-L94 WeakPolarHBondContact O-CG 3.47Å; T90-L94 PolarHBondContact O-N 2.88Å; N91-L94 PolarHBondContact O-N 2.84Å; L94-S96 VanDerWaalsContact C-N 3.33Å; L94-S96 PolarHBondContact O-N 3.24Å; L94-V97 WeakPolarHBondContact O-CB 3.22Å; L94-V97 PolarHBondContact O-N 3.04Å; L94-V98 WeakPolarHBondContact O-CG2 3.48Å; L94-V98 PolarHBondContact O-N 3.37Å
95H97.8Very high97.9Very high13 Ų1346.1 Ų46.16%0.0625%0.254CS..Hα-helixtrans-59.5-44.7175.3-175.451.1000111.4Y15 N91 V93 V97 V98 V99 S123 H128 V132Y15-H95 AromaticContact CD2-CD2 3.79Å; Y15-H95 AromaticContact CE2-CD2 3.64Å; Y15-H95 AromaticContact CE2-NE2 3.54Å; N91-H95 VanDerWaalsContact O-CB 3.31Å; N91-H95 WeakPolarHBondContact O-CB 3.4Å; N91-H95 PolarHBondContact O-N 3.23Å; V93-H95 PolarHBondContact O-N 3.08Å; H95-V97 VanDerWaalsContact C-N 3.3Å; H95-V97 PolarHBondContact O-N 3.13Å; H95-V98 CarbonylContact O-C 3.59Å; H95-V98 PolarHBondContact O-N 2.84Å; H95-V98 VanDerWaalsContact O-N 3.1Å; H95-V99 VanDerWaalsContact O-CG2 3.3Å; H95-V99 WeakPolarHBondContact O-CG2 3.35Å; H95-V99 PolarHBondContact O-N 3.24Å; H95-S123 PolarHBondContact NE2-O 3.41Å; H95-H128 AromaticContact CE1-CD2 3.94Å; H95-H128 AromaticContact CE1-CG 3.86Å; H95-V132 HydrophobicContact CB-CG1 4.21Å; H95-V132 HydrophobicContact CB-CG2 3.73Å
96S97.8Very high97.9Very high9 Ų944.5 Ų44.56%0.06324%0.242CC..Hα-helixtrans-62.4-37.5177.3-60.50000112.5S11 S12 I92 V93 L94 F100S11-S96 WeakPolarHBondContact OG-CA 3.31Å; S11-S96 WeakPolarHBondContact OG-CB 3.45Å; S11-S96 PolarHBondContact OG-OG 2.91Å; S12-S96 PolarHBondContact OG-OG 3.29Å; S12-S96 VanDerWaalsContact OG-OG 3.07Å; I92-S96 WeakPolarHBondContact O-CB 3.23Å; I92-S96 PolarHBondContact O-N 3.37Å; I92-S96 PolarHBondContact O-OG 3.27Å; V93-S96 PolarHBondContact O-N 3.41Å; L94-S96 VanDerWaalsContact C-N 3.33Å; L94-S96 PolarHBondContact O-N 3.24Å; S96-F100 WeakPolarHBondContact O-CB 3.46Å; S96-F100 PolarHBondContact O-N 3.49Å
97V97.7Very high97.9Very high75 Ų7547.5 Ų47.546%0.45526%0.257SS..Hα-helixtrans-64.1-45.2171.7172.90000110.9V93 L94 H95 F100 L101V93-V97 WeakPolarHBondContact O-CG2 3.42Å; V93-V97 PolarHBondContact O-N 2.82Å; L94-V97 WeakPolarHBondContact O-CB 3.22Å; L94-V97 PolarHBondContact O-N 3.04Å; H95-V97 VanDerWaalsContact C-N 3.3Å; H95-V97 PolarHBondContact O-N 3.13Å; V97-F100 WeakPolarHBondContact O-CB 3.32Å; V97-F100 PolarHBondContact O-N 3.45Å; V97-L101 HydrophobicContact CG1-CD1 4.12Å; V97-L101 HydrophobicContact CG1-CG 4.44Å; V97-L101 WeakPolarHBondContact O-CG 3.44Å; V97-L101 PolarHBondContact O-N 3.18Å
98V98Very high98Very high73 Ų7351.8 Ų51.844%0.44229%0.287SS..Hα-helixtrans-62.4-44178172.50000111.3L94 H95 F100 L101 F102 F122L94-V98 WeakPolarHBondContact O-CG2 3.48Å; L94-V98 PolarHBondContact O-N 3.37Å; H95-V98 CarbonylContact O-C 3.59Å; H95-V98 PolarHBondContact O-N 2.84Å; H95-V98 VanDerWaalsContact O-N 3.1Å; V98-F100 VanDerWaalsContact C-N 3.33Å; V98-F100 PolarHBondContact O-N 2.94Å; V98-L101 PolarHBondContact O-N 3.15Å; V98-F102 WeakPolarHBondContact O-CB 3.46Å; V98-F102 PolarHBondContact O-N 3.31Å; V98-F122 HydrophobicContact CG1-CE1 4.13Å; V98-F122 HydrophobicContact CG1-CZ 4.29Å
99V98.4Very high98Very high0 Ų059.8 Ų59.80%032%0.318CS..Hα-helixtrans-60.2-43175.4170.40000111L7 H95 F102 F103 F122L7-V99 HydrophobicContact CB-CG1 4.31Å; L7-V99 HydrophobicContact CD2-CG1 4.29Å; H95-V99 VanDerWaalsContact O-CG2 3.3Å; H95-V99 WeakPolarHBondContact O-CG2 3.35Å; H95-V99 PolarHBondContact O-N 3.24Å; V99-F102 PolarHBondContact O-N 3.35Å; V99-F103 PolarHBondContact O-N 3.25Å; V99-F122 HydrophobicContact CG2-CD1 4.1Å; V99-F122 HydrophobicContact CG2-CE1 4.25Å
100F98.1Very high98Very high71 Ų7161.6 Ų61.631%0.31132%0.322SS..Hα-helixtrans-61.5-46.1175.1171.8-91.7000111.9E4 S96 V97 V98 F103 K104E4-F100 HydrophobicContact CB-CD2 4.04Å; E4-F100 HydrophobicContact CB-CE2 3.91Å; E4-F100 HydrophobicContact CG-CD2 4.16Å; E4-F100 HydrophobicContact CG-CE2 3.8Å; S96-F100 WeakPolarHBondContact O-CB 3.46Å; S96-F100 PolarHBondContact O-N 3.49Å; V97-F100 WeakPolarHBondContact O-CB 3.32Å; V97-F100 PolarHBondContact O-N 3.45Å; V98-F100 VanDerWaalsContact C-N 3.33Å; V98-F100 PolarHBondContact O-N 2.94Å; F100-F103 WeakPolarHBondContact O-CB 3.03Å; F100-F103 PolarHBondContact O-N 3.15Å; F100-K104 HydrophobicContact CD1-CG 4.46Å; F100-K104 HydrophobicContact CE1-CG 4.04Å; F100-K104 HydrophobicContact CZ-CD 4.4Å; F100-K104 HydrophobicContact CZ-CG 4.17Å; F100-K104 WeakPolarHBondContact O-CG 3.47Å; F100-K104 PolarHBondContact O-N 3.46Å
101L98.2Very high98Very high101 Ų10166.5 Ų66.553%0.52934%0.341SS..Hα-helixtrans-64.7-40.6177.7-68.3175.8000111.6V97 V98 F103 K104 L105V97-L101 HydrophobicContact CG1-CD1 4.12Å; V97-L101 HydrophobicContact CG1-CG 4.44Å; V97-L101 WeakPolarHBondContact O-CG 3.44Å; V97-L101 PolarHBondContact O-N 3.18Å; V98-L101 PolarHBondContact O-N 3.15Å; L101-F103 VanDerWaalsContact C-N 3.33Å; L101-F103 PolarHBondContact O-N 3.34Å; L101-K104 PolarHBondContact O-N 2.97Å; L101-L105 PolarHBondContact O-N 2.87Å
102F98.3Very high98Very high60 Ų6069.3 Ų69.326%0.26335%0.352SS..Hα-helixtrans-60.6-42.3174.4-177.5-102000111.3V98 V99 K104 L105 C106 F122V98-F102 WeakPolarHBondContact O-CB 3.46Å; V98-F102 PolarHBondContact O-N 3.31Å; V99-F102 PolarHBondContact O-N 3.35Å; F102-K104 PolarHBondContact O-N 3.05Å; F102-L105 WeakPolarHBondContact O-CB 3.47Å; F102-L105 PolarHBondContact O-N 2.64Å; F102-C106 VanDerWaalsContact CE1-SG 3.52Å; F102-C106 PolarHBondContact O-N 3.32Å; F102-C106 PolarHBondContact O-SG 3.32Å; F102-C106 VanDerWaalsContact O-SG 3.4Å; F102-F122 HydrophobicContact CB-CD1 4.33Å; F102-F122 HydrophobicContact CB-CE1 4.31Å; F102-F122 HydrophobicContact CD1-CB 3.85Å; F102-F122 AromaticContact CD1-CD1 3.92Å; F102-F122 HydrophobicContact CD1-CD1 3.92Å; F102-F122 HydrophobicContact CD1-CD2 4.31Å; F102-F122 AromaticContact CD1-CG 3.76Å; F102-F122 HydrophobicContact CD1-CG 3.76Å; F102-F122 HydrophobicContact CD2-CD2 4.36Å; F102-F122 HydrophobicContact CD2-CE2 4.38Å; F102-F122 HydrophobicContact CE1-CB 3.58Å; F102-F122 HydrophobicContact CE1-CD1 4.41Å; F102-F122 HydrophobicContact CE1-CD2 4.12Å; F102-F122 AromaticContact CE1-CG 3.79Å; F102-F122 HydrophobicContact CE1-CG 3.79Å; F102-F122 HydrophobicContact CE2-CD2 4.18Å; F102-F122 HydrophobicContact CE2-CE2 4.44Å; F102-F122 HydrophobicContact CG-CD1 4.07Å; F102-F122 HydrophobicContact CG-CD2 4.42Å; F102-F122 HydrophobicContact CG-CE1 4.31Å; F102-F122 HydrophobicContact CG-CG 4.14Å; F102-F122 HydrophobicContact CZ-CB 4.24Å; F102-F122 HydrophobicContact CZ-CD2 4.05Å; F102-F122 HydrophobicContact CZ-CG 4.2Å
103F98.4Very high98Very high0 Ų073.4 Ų73.40%037%0.371CS..Hα-helixtrans-59.8-44.4173.3176-119000112.4K3 E4 L7 V99 F100 L101 L105 C106 L107 A115 F116 S119K3-F103 HydrophobicContact CB-CZ 4.44Å; E4-F103 HydrophobicContact CG-CD1 3.87Å; E4-F103 HydrophobicContact CG-CE1 3.67Å; L7-F103 HydrophobicContact CD1-CB 3.7Å; L7-F103 HydrophobicContact CD1-CD1 3.88Å; L7-F103 HydrophobicContact CD1-CD2 3.83Å; L7-F103 HydrophobicContact CD1-CE1 4.48Å; L7-F103 HydrophobicContact CD1-CE2 4.45Å; L7-F103 HydrophobicContact CD1-CG 3.51Å; V99-F103 PolarHBondContact O-N 3.25Å; F100-F103 WeakPolarHBondContact O-CB 3.03Å; F100-F103 PolarHBondContact O-N 3.15Å; L101-F103 VanDerWaalsContact C-N 3.33Å; L101-F103 PolarHBondContact O-N 3.34Å; F103-L105 VanDerWaalsContact C-N 3.32Å; F103-L105 PolarHBondContact O-N 2.86Å; F103-C106 PolarHBondContact O-N 3.22Å; F103-L107 HydrophobicContact CD1-CD1 4.24Å; F103-L107 HydrophobicContact CD2-CG 4.47Å; F103-L107 HydrophobicContact CE1-CD1 3.71Å; F103-L107 HydrophobicContact CE1-CG 4.38Å; F103-L107 HydrophobicContact CE2-CD1 4.27Å; F103-L107 HydrophobicContact CE2-CD2 4.04Å; F103-L107 HydrophobicContact CE2-CG 4.06Å; F103-L107 HydrophobicContact CZ-CD1 3.74Å; F103-L107 HydrophobicContact CZ-CD2 4.02Å; F103-L107 HydrophobicContact CZ-CG 4.02Å; F103-L107 WeakPolarHBondContact O-CG 3.16Å; F103-L107 PolarHBondContact O-N 3.23Å; F103-A115 HydrophobicContact CD2-CB 4.06Å; F103-A115 HydrophobicContact CE2-CB 3.85Å; F103-F116 HydrophobicContact CE2-CB 3.94Å; F103-S119 WeakPolarHBondContact CA-OG 3.33Å; F103-S119 VanDerWaalsContact CB-OG 3.3Å; F103-S119 WeakPolarHBondContact CB-OG 3.47Å
104K98.1Very high98Very high80 Ų8071.6 Ų71.635%0.34836%0.362SS..Hα-helixtrans-62.3-40175.5-64.8-52.5-175-177.80112E4 F100 L101 F102 L107E4-K104 IonicContact OE1-NZ 3.31Å; E4-K104 PolarHBondContact OE1-NZ 3.44Å; F100-K104 HydrophobicContact CD1-CG 4.46Å; F100-K104 HydrophobicContact CE1-CG 4.04Å; F100-K104 HydrophobicContact CZ-CD 4.4Å; F100-K104 HydrophobicContact CZ-CG 4.17Å; F100-K104 WeakPolarHBondContact O-CG 3.47Å; F100-K104 PolarHBondContact O-N 3.46Å; L101-K104 PolarHBondContact O-N 2.97Å; F102-K104 PolarHBondContact O-N 3.05Å; K104-L107 HydrophobicContact CD-CD1 4.23Å; K104-L107 PolarHBondContact O-N 3.38Å
105L98.4Very high98Very high96 Ų9667.4 Ų67.450%0.50334%0.34SS..Hα-helixtrans-62.4-46.5174.3-179.364.5000111.4L101 F102 F103 L107 C108 Y109L101-L105 PolarHBondContact O-N 2.87Å; F102-L105 WeakPolarHBondContact O-CB 3.47Å; F102-L105 PolarHBondContact O-N 2.64Å; F103-L105 VanDerWaalsContact C-N 3.32Å; F103-L105 PolarHBondContact O-N 2.86Å; L105-L107 VanDerWaalsContact C-N 3.28Å; L105-L107 PolarHBondContact O-N 3Å; L105-C108 VanDerWaalsContact O-CB 3.26Å; L105-C108 WeakPolarHBondContact O-CB 3.4Å; L105-C108 PolarHBondContact O-N 2.65Å; L105-Y109 HydrophobicContact CD1-CE2 3.93Å; L105-Y109 WeakPolarHBondContact O-CD2 3.36Å
106C98.4Very high98.1Very high12 Ų1267.7 Ų67.78%0.08134%0.341CS..Hα-helixtrans-60.7-35.2177.5-72.80000112.7F102 F103 C108 Y109 L110 A115F102-C106 VanDerWaalsContact CE1-SG 3.52Å; F102-C106 PolarHBondContact O-N 3.32Å; F102-C106 PolarHBondContact O-SG 3.32Å; F102-C106 VanDerWaalsContact O-SG 3.4Å; F103-C106 PolarHBondContact O-N 3.22Å; C106-C108 PolarHBondContact O-N 2.69Å; C106-Y109 PolarHBondContact O-N 2.81Å; C106-L110 HydrophobicContact CB-CD1 4.26Å; C106-L110 WeakPolarHBondContact O-CB 3.3Å; C106-L110 PolarHBondContact O-N 3.21Å; C106-A115 HydrophobicContact CB-CB 3.59Å
107L98.1Very high98.1Very high64 Ų6473.4 Ų73.434%0.33537%0.365SS..Hα-helixtrans-63.2-18.8175.9-71.7174.7000113.6F103 K104 L105 Y109 K112 A115F103-L107 HydrophobicContact CD1-CD1 4.24Å; F103-L107 HydrophobicContact CD2-CG 4.47Å; F103-L107 HydrophobicContact CE1-CD1 3.71Å; F103-L107 HydrophobicContact CE1-CG 4.38Å; F103-L107 HydrophobicContact CE2-CD1 4.27Å; F103-L107 HydrophobicContact CE2-CD2 4.04Å; F103-L107 HydrophobicContact CE2-CG 4.06Å; F103-L107 HydrophobicContact CZ-CD1 3.74Å; F103-L107 HydrophobicContact CZ-CD2 4.02Å; F103-L107 HydrophobicContact CZ-CG 4.02Å; F103-L107 WeakPolarHBondContact O-CG 3.16Å; F103-L107 PolarHBondContact O-N 3.23Å; K104-L107 HydrophobicContact CD-CD1 4.23Å; K104-L107 PolarHBondContact O-N 3.38Å; L105-L107 VanDerWaalsContact C-N 3.28Å; L105-L107 PolarHBondContact O-N 3Å; L107-Y109 VanDerWaalsContact C-N 3.26Å; L107-Y109 PolarHBondContact O-N 3.25Å; L107-K112 HydrophobicContact CD2-CB 4.15Å; L107-K112 HydrophobicContact CD2-CG 4.06Å; L107-A115 HydrophobicContact CD2-CB 3.8Å; L107-A115 HydrophobicContact CG-CB 4.17Å
108C98.3Very high98.1Very high95 Ų9571.9 Ų71.964%0.64236%0.358SS*.THydrogen-bonded Turntrans-72.8-19.4173-60.20000112.9L105 C106L105-C108 VanDerWaalsContact O-CB 3.26Å; L105-C108 WeakPolarHBondContact O-CB 3.4Å; L105-C108 PolarHBondContact O-N 2.65Å; C106-C108 PolarHBondContact O-N 2.69Å
109Y98.2Very high98.1Very high187 Ų18768.4 Ų68.473%0.73334%0.337SS*.THydrogen-bonded Turntrans-129.1-19.3-170.3-57.9-75.2000114.3L105 C106 L107L105-Y109 HydrophobicContact CD1-CE2 3.93Å; L105-Y109 WeakPolarHBondContact O-CD2 3.36Å; C106-Y109 PolarHBondContact O-N 2.81Å; L107-Y109 VanDerWaalsContact C-N 3.26Å; L107-Y109 PolarHBondContact O-N 3.25Å
110L98.2Very high98.1Very high78 Ų7869.9 Ų69.941%0.40834%0.344SS..SBendtrans-126.2156.1-172.6-58.2178.9000111.4C106 A115C106-L110 HydrophobicContact CB-CD1 4.26Å; C106-L110 WeakPolarHBondContact O-CB 3.3Å; C106-L110 PolarHBondContact O-N 3.21Å; L110-A115 HydrophobicContact CB-CB 4.24Å
111Q97.7Very high98.1Very high148 Ų14872.5 Ų72.569%0.69236%0.361SS*.  trans-61152.4166.7-65.7179.6-9.100110.5E113 S114 A115Q111-E113 VanDerWaalsContact C-N 3.25Å; Q111-E113 PolarHBondContact O-N 3.42Å; Q111-S114 PolarHBondContact O-N 3.11Å; Q111-S114 VanDerWaalsContact O-N 3.11Å; Q111-A115 WeakPolarHBondContact O-CB 3.42Å; Q111-A115 PolarHBondContact O-N 2.84Å
112K96.9Very high98.1Very high101 Ų10170.1 Ų70.144%0.43935%0.346SS..Hα-helixtrans-58-36.6-171-171.4-179.4-176.7174.70113.4K3 L107 F116K3-K112 HydrophobicContact CD-CG 4.28Å; L107-K112 HydrophobicContact CD2-CB 4.15Å; L107-K112 HydrophobicContact CD2-CG 4.06Å; K112-F116 VanDerWaalsContact O-CB 3.28Å; K112-F116 WeakPolarHBondContact O-CB 3.24Å; K112-F116 PolarHBondContact O-N 3.21Å; K112-F116 VanDerWaalsContact O-N 3.13Å
113E97.5Very high98.1Very high99 Ų9967.3 Ų67.346%0.46333%0.334SS..Hα-helixtrans-67.8-50.6177.7-71.855.9-126.400110.2K3 Q111 F116 F117K3-E113 IonicContact NZ-OE1 2.74Å; K3-E113 PolarHBondContact NZ-OE1 3.11Å; Q111-E113 VanDerWaalsContact C-N 3.25Å; Q111-E113 PolarHBondContact O-N 3.42Å; E113-F116 WeakPolarHBondContact O-CB 3.47Å; E113-F116 PolarHBondContact O-N 2.82Å; E113-F117 WeakPolarHBondContact O-CD2 3.37Å; E113-F117 PolarHBondContact O-N 2.77Å
114S98.2Very high98Very high54 Ų5469.6 Ų69.638%0.37835%0.353SS..Hα-helixtrans-60.6-47.3176.9-54.60000111.6Q111 F116 F117 S118Q111-S114 PolarHBondContact O-N 3.11Å; Q111-S114 VanDerWaalsContact O-N 3.11Å; S114-F116 VanDerWaalsContact C-N 3.26Å; S114-F116 PolarHBondContact O-N 2.98Å; S114-F117 PolarHBondContact O-N 3.32Å; S114-S118 WeakPolarHBondContact O-CB 3.31Å; S114-S118 PolarHBondContact O-N 2.81Å; S114-S118 PolarHBondContact O-OG 2.98Å
115A98.3Very high98Very high0 Ų070.4 Ų70.40%036%0.358CS..Hα-helixtrans-56.5-41.4176.300000112.1F103 C106 L107 L110 Q111 S119F103-A115 HydrophobicContact CD2-CB 4.06Å; F103-A115 HydrophobicContact CE2-CB 3.85Å; C106-A115 HydrophobicContact CB-CB 3.59Å; L107-A115 HydrophobicContact CD2-CB 3.8Å; L107-A115 HydrophobicContact CG-CB 4.17Å; L110-A115 HydrophobicContact CB-CB 4.24Å; Q111-A115 WeakPolarHBondContact O-CB 3.42Å; Q111-A115 PolarHBondContact O-N 2.84Å; A115-S119 WeakPolarHBondContact O-CB 3.3Å; A115-S119 PolarHBondContact O-N 2.87Å; A115-S119 PolarHBondContact O-OG 3.4Å
116F98.3Very high97.9Very high19 Ų1970.5 Ų70.58%0.08336%0.364CS..Hα-helixtrans-65.9-49.9179.1171.4-101.2000111.6K3 L6 L7 F103 K112 E113 S114 S118 S119 I120K3-F116 HydrophobicContact CB-CD2 3.8Å; K3-F116 HydrophobicContact CB-CE2 4.16Å; K3-F116 HydrophobicContact CD-CB 4.02Å; K3-F116 HydrophobicContact CD-CD2 4.03Å; K3-F116 HydrophobicContact CD-CG 3.97Å; K3-F116 HydrophobicContact CG-CD2 4.08Å; K3-F116 HydrophobicContact CG-CE2 4.42Å; K3-F116 HydrophobicContact CG-CG 4.48Å; L6-F116 HydrophobicContact CD2-CE2 3.77Å; L6-F116 HydrophobicContact CD2-CZ 3.52Å; L7-F116 HydrophobicContact CD1-CD2 4.02Å; L7-F116 HydrophobicContact CD1-CE2 4.43Å; L7-F116 HydrophobicContact CD2-CD2 4.19Å; L7-F116 HydrophobicContact CD2-CE2 4.07Å; L7-F116 HydrophobicContact CG-CD2 3.92Å; L7-F116 HydrophobicContact CG-CE2 3.83Å; F103-F116 HydrophobicContact CE2-CB 3.94Å; K112-F116 VanDerWaalsContact O-CB 3.28Å; K112-F116 WeakPolarHBondContact O-CB 3.24Å; K112-F116 PolarHBondContact O-N 3.21Å; K112-F116 VanDerWaalsContact O-N 3.13Å; E113-F116 WeakPolarHBondContact O-CB 3.47Å; E113-F116 PolarHBondContact O-N 2.82Å; S114-F116 VanDerWaalsContact C-N 3.26Å; S114-F116 PolarHBondContact O-N 2.98Å; F116-S118 PolarHBondContact O-N 2.81Å; F116-S119 PolarHBondContact O-N 3.1Å; F116-S119 VanDerWaalsContact O-N 3.15Å; F116-I120 HydrophobicContact CE1-CG1 4.15Å; F116-I120 HydrophobicContact CE2-CD1 4.35Å; F116-I120 HydrophobicContact CE2-CG1 4.22Å; F116-I120 HydrophobicContact CZ-CD1 4.09Å; F116-I120 HydrophobicContact CZ-CG1 3.89Å; F116-I120 PolarHBondContact O-N 2.99Å
117F98.1Very high97.8Very high129 Ų12974.6 Ų74.657%0.56639%0.389SS*.Hα-helixtrans-66.9-36.9178.2-73.5-66.4000112.6E113 S114 S119 I120 L121E113-F117 WeakPolarHBondContact O-CD2 3.37Å; E113-F117 PolarHBondContact O-N 2.77Å; S114-F117 PolarHBondContact O-N 3.32Å; F117-S119 VanDerWaalsContact C-N 3.26Å; F117-S119 PolarHBondContact O-N 3.22Å; F117-I120 PolarHBondContact O-N 3.4Å; F117-L121 WeakPolarHBondContact O-CG 3.31Å; F117-L121 PolarHBondContact O-N 3.08Å
118S98.3Very high97.7Very high43 Ų4373.3 Ų73.330%0.30138%0.381SS..Hα-helixtrans-58.8-38.8171.2-64.90000111.8S114 F116 L121 F122S114-S118 WeakPolarHBondContact O-CB 3.31Å; S114-S118 PolarHBondContact O-N 2.81Å; S114-S118 PolarHBondContact O-OG 2.98Å; F116-S118 PolarHBondContact O-N 2.81Å; S118-L121 PolarHBondContact O-N 3.02Å; S118-F122 VanDerWaalsContact O-CB 3.29Å; S118-F122 WeakPolarHBondContact O-CB 3.48Å; S118-F122 PolarHBondContact O-N 2.62Å
119S98.4Very high97.4Very high0 Ų072.6 Ų72.60%037%0.374CS..Hα-helixtrans-73.6-35.2179-55.50000112.8F103 A115 F116 F117 S123F103-S119 WeakPolarHBondContact CA-OG 3.33Å; F103-S119 VanDerWaalsContact CB-OG 3.3Å; F103-S119 WeakPolarHBondContact CB-OG 3.47Å; A115-S119 WeakPolarHBondContact O-CB 3.3Å; A115-S119 PolarHBondContact O-N 2.87Å; A115-S119 PolarHBondContact O-OG 3.4Å; F116-S119 PolarHBondContact O-N 3.1Å; F116-S119 VanDerWaalsContact O-N 3.15Å; F117-S119 VanDerWaalsContact C-N 3.26Å; F117-S119 PolarHBondContact O-N 3.22Å; S119-S123 VanDerWaalsContact O-CB 3.31Å; S119-S123 WeakPolarHBondContact O-CB 3.37Å; S119-S123 PolarHBondContact O-N 3.11Å; S119-S123 PolarHBondContact O-OG 2.98Å
120I98.1Very high97.1Very high31 Ų3173 Ų7316%0.15938%0.383CS..Hα-helixtrans-60.9-50.4170.2-69.9-71.8000109.9L6 L7 F10 F116 F117 F122 S123 A124L6-I120 HydrophobicContact CD2-CD1 4.47Å; L7-I120 HydrophobicContact CD2-CD1 3.58Å; L7-I120 HydrophobicContact CD2-CG1 3.74Å; F10-I120 HydrophobicContact CB-CD1 4.19Å; F10-I120 HydrophobicContact CD1-CD1 3.65Å; F10-I120 HydrophobicContact CD1-CG2 4.5Å; F10-I120 HydrophobicContact CD2-CD1 4.41Å; F10-I120 HydrophobicContact CE1-CD1 4.1Å; F10-I120 HydrophobicContact CE1-CG2 3.92Å; F10-I120 HydrophobicContact CG-CD1 3.81Å; F10-I120 HydrophobicContact CZ-CG2 4.11Å; F116-I120 HydrophobicContact CE1-CG1 4.15Å; F116-I120 HydrophobicContact CE2-CD1 4.35Å; F116-I120 HydrophobicContact CE2-CG1 4.22Å; F116-I120 HydrophobicContact CZ-CD1 4.09Å; F116-I120 HydrophobicContact CZ-CG1 3.89Å; F116-I120 PolarHBondContact O-N 2.99Å; F117-I120 PolarHBondContact O-N 3.4Å; I120-F122 VanDerWaalsContact C-N 3.34Å; I120-F122 PolarHBondContact O-N 2.82Å; I120-S123 PolarHBondContact O-N 3.26Å; I120-S123 PolarHBondContact O-OG 2.86Å; I120-A124 PolarHBondContact O-N 3.05Å; I120-A124 VanDerWaalsContact O-N 3.16Å
121L98Very high96.7Very high126 Ų12672.4 Ų72.466%0.6639%0.389SS*.Hα-helixtrans-60.1-44.1178.8-71.4173.4000111.7F117 S118 H125F117-L121 WeakPolarHBondContact O-CG 3.31Å; F117-L121 PolarHBondContact O-N 3.08Å; S118-L121 PolarHBondContact O-N 3.02Å; L121-H125 PolarHBondContact O-N 3.12Å; L121-H125 VanDerWaalsContact O-N 3.16Å
122F98.3Very high96.4Very high51 Ų5166 Ų6622%0.22436%0.36CS..Hα-helixtrans-59.6-48.4174.5177.6-93.3000111.3V98 V99 F102 S118 I120 A124 H125 H128V98-F122 HydrophobicContact CG1-CE1 4.13Å; V98-F122 HydrophobicContact CG1-CZ 4.29Å; V99-F122 HydrophobicContact CG2-CD1 4.1Å; V99-F122 HydrophobicContact CG2-CE1 4.25Å; F102-F122 HydrophobicContact CB-CD1 4.33Å; F102-F122 HydrophobicContact CB-CE1 4.31Å; F102-F122 HydrophobicContact CD1-CB 3.85Å; F102-F122 AromaticContact CD1-CD1 3.92Å; F102-F122 HydrophobicContact CD1-CD1 3.92Å; F102-F122 HydrophobicContact CD1-CD2 4.31Å; F102-F122 AromaticContact CD1-CG 3.76Å; F102-F122 HydrophobicContact CD1-CG 3.76Å; F102-F122 HydrophobicContact CD2-CD2 4.36Å; F102-F122 HydrophobicContact CD2-CE2 4.38Å; F102-F122 HydrophobicContact CE1-CB 3.58Å; F102-F122 HydrophobicContact CE1-CD1 4.41Å; F102-F122 HydrophobicContact CE1-CD2 4.12Å; F102-F122 AromaticContact CE1-CG 3.79Å; F102-F122 HydrophobicContact CE1-CG 3.79Å; F102-F122 HydrophobicContact CE2-CD2 4.18Å; F102-F122 HydrophobicContact CE2-CE2 4.44Å; F102-F122 HydrophobicContact CG-CD1 4.07Å; F102-F122 HydrophobicContact CG-CD2 4.42Å; F102-F122 HydrophobicContact CG-CE1 4.31Å; F102-F122 HydrophobicContact CG-CG 4.14Å; F102-F122 HydrophobicContact CZ-CB 4.24Å; F102-F122 HydrophobicContact CZ-CD2 4.05Å; F102-F122 HydrophobicContact CZ-CG 4.2Å; S118-F122 VanDerWaalsContact O-CB 3.29Å; S118-F122 WeakPolarHBondContact O-CB 3.48Å; S118-F122 PolarHBondContact O-N 2.62Å; I120-F122 VanDerWaalsContact C-N 3.34Å; I120-F122 PolarHBondContact O-N 2.82Å; F122-A124 VanDerWaalsContact C-N 3.27Å; F122-A124 PolarHBondContact O-N 3.47Å; F122-H125 WeakPolarHBondContact O-CB 3.31Å; F122-H125 PolarHBondContact O-N 3.36Å; F122-H125 VanDerWaalsContact O-N 3.11Å; F122-H128 AromaticContact CD2-NE2 3.84Å; F122-H128 AromaticContact CE1-NE2 3.89Å; F122-H128 AromaticContact CE2-CE1 3.81Å; F122-H128 AromaticContact CE2-NE2 3.47Å; F122-H128 WeakPolarHBondContact CE2-NE2 3.33Å; F122-H128 AromaticContact CZ-CE1 3.61Å; F122-H128 AromaticContact CZ-NE2 3.5Å; F122-H128 WeakPolarHBondContact CZ-NE2 3.2Å; F122-H128 PolarHBondContact O-CD2 3.31Å; F122-H128 PolarHBondContact O-NE2 3.39Å
123S97.8Very high96.4Very high0 Ų064.3 Ų64.30%036%0.356CS..Hα-helixtrans-61-33.8-176.470.80000113.9F10 I14 H95 S119 I120F10-S123 WeakPolarHBondContact CD1-OG 3.28Å; F10-S123 WeakPolarHBondContact CE1-OG 3.41Å; I14-S123 VanDerWaalsContact CD1-O 3.22Å; I14-S123 WeakPolarHBondContact CD1-O 3.21Å; H95-S123 PolarHBondContact NE2-O 3.41Å; S119-S123 VanDerWaalsContact O-CB 3.31Å; S119-S123 WeakPolarHBondContact O-CB 3.37Å; S119-S123 PolarHBondContact O-N 3.11Å; S119-S123 PolarHBondContact O-OG 2.98Å; I120-S123 PolarHBondContact O-N 3.26Å; I120-S123 PolarHBondContact O-OG 2.86Å
124A97.3Very high96.3Very high48 Ų4862.5 Ų62.540%0.39735%0.35SS..THydrogen-bonded Turntrans-98.68.3-179.800000113.6F10 I14 I120 F122F10-A124 HydrophobicContact CE1-CB 4.09Å; F10-A124 HydrophobicContact CZ-CB 4.4Å; I14-A124 HydrophobicContact CD1-CB 3.96Å; I120-A124 PolarHBondContact O-N 3.05Å; I120-A124 VanDerWaalsContact O-N 3.16Å; F122-A124 VanDerWaalsContact C-N 3.27Å; F122-A124 PolarHBondContact O-N 3.47Å
125H97.6Very high96.2Very high97 Ų9762.9 Ų62.945%0.44935%0.349SS..  trans-69.6129.1-176.8-166.7-83000110.5L121 F122 V127 H128L121-H125 PolarHBondContact O-N 3.12Å; L121-H125 VanDerWaalsContact O-N 3.16Å; F122-H125 WeakPolarHBondContact O-CB 3.31Å; F122-H125 PolarHBondContact O-N 3.36Å; F122-H125 VanDerWaalsContact O-N 3.11Å; H125-V127 HydrophobicContact CB-CG1 4.27Å; H125-V127 VanDerWaalsContact ND1-CB 3.29Å; H125-V127 WeakPolarHBondContact ND1-CB 3.27Å; H125-V127 WeakPolarHBondContact ND1-CG1 3.35Å; H125-V127 PolarHBondContact ND1-N 3.12Å; H125-V127 PolarHBondContact O-N 2.67Å; H125-H128 PolarHBondContact O-N 3.1Å
126P96.4Very high96.1Very high98 Ų9866.6 Ų66.664%0.63637%0.369SS*.G310 helixtrans-58-20.5-175.3-2835.3000115.6H128 T129P126-H128 PolarHBondContact O-N 2.75Å; P126-H128 VanDerWaalsContact O-N 3.14Å; P126-T129 WeakPolarHBondContact O-CB 3.42Å; P126-T129 PolarHBondContact O-N 3.31Å; P126-T129 VanDerWaalsContact O-N 3.1Å; P126-T129 PolarHBondContact O-OG1 2.7Å; P126-T129 VanDerWaalsContact O-OG1 3.06Å
127V96Very high95.9Very high99 Ų9969.6 Ų69.660%0.639%0.387SS*.G310 helixtrans-58.6-22.8174.978.10000113.1H125H125-V127 HydrophobicContact CB-CG1 4.27Å; H125-V127 VanDerWaalsContact ND1-CB 3.29Å; H125-V127 WeakPolarHBondContact ND1-CB 3.27Å; H125-V127 WeakPolarHBondContact ND1-CG1 3.35Å; H125-V127 PolarHBondContact ND1-N 3.12Å; H125-V127 PolarHBondContact O-N 2.67Å
128H95.1Very high95.8Very high36 Ų3665.7 Ų65.717%0.16738%0.375CS..G310 helixtrans-88.3-11.2180-60.8-56.4000113.2H95 F122 H125 P126 E130 A131 V132H95-H128 AromaticContact CE1-CD2 3.94Å; H95-H128 AromaticContact CE1-CG 3.86Å; F122-H128 AromaticContact CD2-NE2 3.84Å; F122-H128 AromaticContact CE1-NE2 3.89Å; F122-H128 AromaticContact CE2-CE1 3.81Å; F122-H128 AromaticContact CE2-NE2 3.47Å; F122-H128 WeakPolarHBondContact CE2-NE2 3.33Å; F122-H128 AromaticContact CZ-CE1 3.61Å; F122-H128 AromaticContact CZ-NE2 3.5Å; F122-H128 WeakPolarHBondContact CZ-NE2 3.2Å; F122-H128 PolarHBondContact O-CD2 3.31Å; F122-H128 PolarHBondContact O-NE2 3.39Å; H125-H128 PolarHBondContact O-N 3.1Å; P126-H128 PolarHBondContact O-N 2.75Å; P126-H128 VanDerWaalsContact O-N 3.14Å; H128-E130 VanDerWaalsContact C-N 3.27Å; H128-E130 PolarHBondContact O-N 3.01Å; H128-A131 PolarHBondContact O-N 3.02Å; H128-V132 HydrophobicContact CB-CG2 4.35Å; H128-V132 WeakPolarHBondContact O-CG2 3.4Å; H128-V132 PolarHBondContact O-N 3.33Å
129T93Very high95.6Very high81 Ų8167.3 Ų67.350%0.49738%0.38SS..THydrogen-bonded Turntrans-61.5-31.2-171.6-55.50000113.9P126 A131P126-T129 WeakPolarHBondContact O-CB 3.42Å; P126-T129 PolarHBondContact O-N 3.31Å; P126-T129 VanDerWaalsContact O-N 3.1Å; P126-T129 PolarHBondContact O-OG1 2.7Å; P126-T129 VanDerWaalsContact O-OG1 3.06Å; T129-A131 VanDerWaalsContact C-N 3.32Å
130E92.1Very high95.4Very high196 Ų19672.5 Ų72.592%0.91641%0.41SS*.THydrogen-bonded Turntrans-77.6-18.6176.5-66.5-178.3-178.600113.1H128H128-E130 VanDerWaalsContact C-N 3.27Å; H128-E130 PolarHBondContact O-N 3.01Å
131A90.1Very high95.2Very high65 Ų6575.9 Ų75.954%0.53743%0.431SS..THydrogen-bonded Turntrans-100-10.8-175.500000113.8N91 H128 T129N91-A131 PolarHBondContact ND2-O 2.67Å; H128-A131 PolarHBondContact O-N 3.02Å; T129-A131 VanDerWaalsContact C-N 3.32Å
132V90.4Very high94.9Very high14 Ų1471.4 Ų71.49%0.08541%0.41CS..  trans-1150-175.7-169.30000111.7Y15 H88 N91 I92 H95 H128Y15-V132 HydrophobicContact CD1-CB 3.84Å; Y15-V132 HydrophobicContact CD1-CG1 3.88Å; Y15-V132 HydrophobicContact CD2-CB 4.07Å; Y15-V132 HydrophobicContact CD2-CG1 3.63Å; Y15-V132 HydrophobicContact CD2-CG2 4.38Å; Y15-V132 HydrophobicContact CE1-CB 4.04Å; Y15-V132 HydrophobicContact CE1-CG1 4.5Å; Y15-V132 HydrophobicContact CE2-CB 4.26Å; Y15-V132 HydrophobicContact CE2-CG1 4.28Å; Y15-V132 HydrophobicContact CE2-CG2 4.22Å; Y15-V132 HydrophobicContact CG-CB 3.88Å; Y15-V132 HydrophobicContact CG-CG1 3.42Å; Y15-V132 VanDerWaalsContact CG-CG1 3.42Å; H88-V132 PolarHBondContact ND1-O 2.9Å; N91-V132 WeakPolarHBondContact CB-O 3.34Å; N91-V132 PolarHBondContact ND2-O 2.75Å; I92-V132 HydrophobicContact CB-CG1 4.48Å; I92-V132 HydrophobicContact CG1-CG1 3.79Å; H95-V132 HydrophobicContact CB-CG1 4.21Å; H95-V132 HydrophobicContact CB-CG2 3.73Å; H128-V132 HydrophobicContact CB-CG2 4.35Å; H128-V132 WeakPolarHBondContact O-CG2 3.4Å; H128-V132 PolarHBondContact O-N 3.33Å

Retrieved 132 of 132 residues in 28.1 ms (Link to these results)

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