A0A3Q0KJC5_SCHMA Loading...

Rho-GAP domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KJC5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,362 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
1M45Very low48.2Very low150 Ų15094.7 Ų94.774%0.73944%0.438SS*.  0-32.80-93.2-65-91.400112.2R3 F4 V5M1-R3 PolarHBondContact O-N 2.96Å; M1-F4 HydrophobicContact CE-CD1 3.58Å; M1-F4 HydrophobicContact CE-CE1 4.02Å; M1-F4 HydrophobicContact CE-CG 4.39Å; M1-F4 WeakPolarHBondContact O-CA 3.5Å; M1-F4 WeakPolarHBondContact O-CB 3.49Å; M1-F4 PolarHBondContact O-N 2.84Å; M1-F4 HydrophobicContact SD-CB 4.38Å; M1-F4 HydrophobicContact SD-CD1 4.35Å; M1-V5 HydrophobicContact CB-CG2 4.46Å; M1-V5 PolarHBondContact O-N 3.5Å; M1-V5 VanDerWaalsContact O-N 3.11Å
2D39.5Very low47.4Very low57 Ų5796.8 Ų96.831%0.30547%0.467SS..Hα-helixtrans-28-28.5165.453.4-63.5000119.3R6 R1106D2-R6 WeakPolarHBondContact O-CB 3.47Å; D2-R6 VanDerWaalsContact O-CG 3.23Å; D2-R6 WeakPolarHBondContact O-CG 3.46Å; D2-R6 PolarHBondContact O-N 3.32Å; D2-R6 PolarHBondContact O-NE 2.89Å; D2-R6 IonicContact OD2-NH2 3.61Å; D2-R6 PolarHBondContact OD2-NH2 3.39Å; D2-R1106 IonicContact OD1-NH2 3.06Å; D2-R1106 IonicContact OD2-CZ 3.36Å; D2-R1106 IonicContact OD2-NH1 3.23Å; D2-R1106 IonicContact OD2-NH2 2.72Å; D2-R1106 PolarHBondContact OD2-NH2 3.25Å
3R45Very low46.9Very low220 Ų220101 Ų10183%0.8348%0.481SS*.Hα-helixtrans-76-28.7171-151.6-173.4-156.6-170.38.7113.2M1M1-R3 PolarHBondContact O-N 2.96Å
4F45.8Very low46.4Very low119 Ų11999.9 Ų99.952%0.52249%0.489SS..Hα-helixtrans-83.6-44173.1177.5-102000110.7M1 R6 K7 I8M1-F4 HydrophobicContact CE-CD1 3.58Å; M1-F4 HydrophobicContact CE-CE1 4.02Å; M1-F4 HydrophobicContact CE-CG 4.39Å; M1-F4 WeakPolarHBondContact O-CA 3.5Å; M1-F4 WeakPolarHBondContact O-CB 3.49Å; M1-F4 PolarHBondContact O-N 2.84Å; M1-F4 HydrophobicContact SD-CB 4.38Å; M1-F4 HydrophobicContact SD-CD1 4.35Å; F4-R6 VanDerWaalsContact C-N 3.33Å; F4-R6 PolarHBondContact O-N 3.17Å; F4-K7 CarbonylContact O-C 3.58Å; F4-K7 WeakPolarHBondContact O-CA 3.32Å; F4-K7 WeakPolarHBondContact O-CB 3.29Å; F4-K7 PolarHBondContact O-N 3.29Å; F4-I8 HydrophobicContact CD1-CD1 3.86Å; F4-I8 HydrophobicContact CE1-CD1 3.48Å; F4-I8 VanDerWaalsContact CE1-CD1 3.48Å; F4-I8 HydrophobicContact CZ-CD1 3.88Å; F4-I8 PolarHBondContact O-N 3.44Å; F4-I8 VanDerWaalsContact O-N 3.12Å
5V51.3Low45.7Very low39 Ų39107.4 Ų107.424%0.23652%0.518CS..Hα-helixtrans-59.5-42.7173.3-177.60000111.1M1 K7 I8 N9M1-V5 HydrophobicContact CB-CG2 4.46Å; M1-V5 PolarHBondContact O-N 3.5Å; M1-V5 VanDerWaalsContact O-N 3.11Å; V5-K7 PolarHBondContact O-N 3.45Å; V5-I8 PolarHBondContact O-N 3.3Å; V5-N9 PolarHBondContact O-N 2.98Å; V5-N9 PolarHBondContact O-OD1 2.86Å
6R50.6Low45.3Very low99 Ų99112.7 Ų112.737%0.37453%0.531SS..Hα-helixtrans-56.2-33.1169.5-86.7176.4-86-161.7-8.3113.6D2 F4 I8 S10 L193D2-R6 WeakPolarHBondContact O-CB 3.47Å; D2-R6 VanDerWaalsContact O-CG 3.23Å; D2-R6 WeakPolarHBondContact O-CG 3.46Å; D2-R6 PolarHBondContact O-N 3.32Å; D2-R6 PolarHBondContact O-NE 2.89Å; D2-R6 IonicContact OD2-NH2 3.61Å; D2-R6 PolarHBondContact OD2-NH2 3.39Å; F4-R6 VanDerWaalsContact C-N 3.33Å; F4-R6 PolarHBondContact O-N 3.17Å; R6-I8 VanDerWaalsContact C-N 3.33Å; R6-S10 WeakPolarHBondContact O-CA 3.31Å; R6-S10 WeakPolarHBondContact O-CB 3.5Å; R6-S10 PolarHBondContact O-N 2.96Å; R6-S10 PolarHBondContact O-OG 3.14Å; R6-L193 HydrophobicContact CG-CD1 4.07Å; R6-L193 HydrophobicContact CG-CD2 4.04Å; R6-L193 HydrophobicContact CG-CG 4.47Å
7K52.2Low44.8Very low174 Ų174118.9 Ų118.976%0.75756%0.556SS**Hα-helixtrans-80.1-13.4179.7-161.1-176.3175.5-169.60113F4 V5F4-K7 CarbonylContact O-C 3.58Å; F4-K7 WeakPolarHBondContact O-CA 3.32Å; F4-K7 WeakPolarHBondContact O-CB 3.29Å; F4-K7 PolarHBondContact O-N 3.29Å; V5-K7 PolarHBondContact O-N 3.45Å
8I57.2Low44.4Very low83 Ų83116.4 Ų116.443%0.42655%0.55SS.*Hα-helixtrans-93.6-54.4173.5-66.1170000109.5F4 V5 R6 R108F4-I8 HydrophobicContact CD1-CD1 3.86Å; F4-I8 HydrophobicContact CE1-CD1 3.48Å; F4-I8 VanDerWaalsContact CE1-CD1 3.48Å; F4-I8 HydrophobicContact CZ-CD1 3.88Å; F4-I8 PolarHBondContact O-N 3.44Å; F4-I8 VanDerWaalsContact O-N 3.12Å; V5-I8 PolarHBondContact O-N 3.3Å; R6-I8 VanDerWaalsContact C-N 3.33Å; I8-R108 PolarHBondContact O-NH1 2.91Å
9N45.8Very low44Very low45 Ų45118.2 Ų118.224%0.24156%0.563CS.*Hα-helixtrans-77.6-25.1-172.6-62.530.3000112.5V5V5-N9 PolarHBondContact O-N 2.98Å; V5-N9 PolarHBondContact O-OD1 2.86Å
10S49.5Very low44Very low46 Ų46117.7 Ų117.732%0.32257%0.567SS.*SBendtrans-96.9124.1163-53.20000109.8R6R6-S10 WeakPolarHBondContact O-CA 3.31Å; R6-S10 WeakPolarHBondContact O-CB 3.5Å; R6-S10 PolarHBondContact O-N 2.96Å; R6-S10 PolarHBondContact O-OG 3.14Å
11S48.1Very low44.2Very low10 Ų10118 Ų1187%0.0757%0.568CS.*  trans-45.3147.1148.6-179.70000109.2K13 L105 E109S11-K13 PolarHBondContact O-N 3.42Å; S11-L105 WeakPolarHBondContact OG-CD1 3.18Å; S11-E109 VanDerWaalsContact CB-OE1 3.29Å; S11-E109 WeakPolarHBondContact CB-OE1 3.47Å; S11-E109 PolarHBondContact OG-OE1 3.47Å
12P38.4Very low44.6Very low120 Ų120116.1 Ų116.178%0.77957%0.565SS**  trans-62.482.2177.427.1-36.8000111.5S14P12-S14 PolarHBondContact O-N 3.24Å
13K41.3Very low45.8Very low151 Ų151120.6 Ų120.666%0.65758%0.584SS**  trans-54.1106.5-176.6-65.6-161.3178.6-1630109.3S11 K15S11-K13 PolarHBondContact O-N 3.42Å; K13-K15 PolarHBondContact O-N 3.14Å; K13-K15 VanDerWaalsContact O-N 3.14Å
14S39.6Very low47.4Very low85 Ų85112 Ų11259%0.59455%0.554SS**  trans-53.1120.2171.3-177.80000107.8P12 R16P12-S14 PolarHBondContact O-N 3.24Å; S14-R16 PolarHBondContact O-N 3.42Å
15K37Very low49.2Very low213 Ų213107.2 Ų107.293%0.92653%0.534SS*.  trans-78.349.6179.1-73.2-167.3174.7-171.20111.7K13K13-K15 PolarHBondContact O-N 3.14Å; K13-K15 VanDerWaalsContact O-N 3.14Å
16R38.6Very low51.1Low192 Ų192106 Ų10673%0.72553%0.526SS*.  trans-85.6133.1156.6-67.7-179.2-178.7166.60.1106.7S14 T18S14-R16 PolarHBondContact O-N 3.42Å; R16-T18 WeakPolarHBondContact CB-OG1 3.5Å; R16-T18 PolarHBondContact O-N 3.44Å
17K37.2Very low52.9Low218 Ų218103 Ų10395%0.94853%0.526SS*.  trans-75.178.2151.8-72.6-175.6175-171.60105.1L19K17-L19 PolarHBondContact O-N 2.9Å; K17-L19 VanDerWaalsContact O-N 3.14Å
18T37.9Very low54.7Low74 Ų7495.1 Ų95.145%0.45449%0.492SS..  trans-67.7114177-310000106.3R16 V20R16-T18 WeakPolarHBondContact CB-OG1 3.5Å; R16-T18 PolarHBondContact O-N 3.44Å; T18-V20 PolarHBondContact O-N 3.25Å
19L36.8Very low56.3Low151 Ų15194 Ų9479%0.79149%0.49SS*.  trans-51.9123.8153.9-169.981.3000105.2K17 Q21K17-L19 PolarHBondContact O-N 2.9Å; K17-L19 VanDerWaalsContact O-N 3.14Å; L19-Q21 PolarHBondContact O-N 2.94Å
20V43Very low58.4Low107 Ų10792.1 Ų92.165%0.64848%0.481SS*.  trans-64.7103.6-175.71770000107.8T18 V28T18-V20 PolarHBondContact O-N 3.25Å; V20-V28 HydrophobicContact CG1-CG2 4.42Å
21Q48.9Very low60.3Low126 Ų12695.3 Ų95.359%0.58949%0.489SS*.  trans-73.9138.5174.6-63.7-172.3-9300107.5L19 E23 D24L19-Q21 PolarHBondContact O-N 2.94Å; Q21-E23 PolarHBondContact O-N 3.1Å; Q21-D24 PolarHBondContact O-N 3.49Å
22T52.2Low62.2Low109 Ų10997.8 Ų97.867%0.66950%0.503SS*.THydrogen-bonded Turntrans-69.32-169.437.60000114.5R36T22-R36 PolarHBondContact O-NE 3.27Å; T22-R36 PolarHBondContact O-NH1 3Å; T22-R36 PolarHBondContact O-NH2 2.97Å; T22-R36 VanDerWaalsContact O-NH2 3.1Å
23E65Low64.5Low152 Ų15292.4 Ų92.471%0.7147%0.468SS*.THydrogen-bonded Turntrans-118.7-9.6-174.6-67158.8-158.500112.7Q21 N25Q21-E23 PolarHBondContact O-N 3.1Å; E23-N25 PolarHBondContact O-N 3.1Å
24D78.8Confident66.7Low38 Ų3885.4 Ų85.420%0.20344%0.438CS..  trans-65.5124.2179.7-114.6-34.2000110.6Q21 V28 R36 Q81Q21-D24 PolarHBondContact O-N 3.49Å; D24-V28 HydrophobicContact CB-CG2 4.16Å; D24-V28 WeakPolarHBondContact O-CG2 3.38Å; D24-R36 PolarHBondContact O-NH1 3.5Å; D24-Q81 PolarHBondContact OD1-NE2 2.91Å
25N84.7Confident68.9Low20 Ų2085.8 Ų85.811%0.10743%0.433CS..  trans-94.6-12179.7-68.5-32000114.4E23 I45 F80E23-N25 PolarHBondContact O-N 3.1Å; N25-I45 HydrophobicContact CB-CD1 3.56Å; N25-F80 PolarHBondContact ND2-O 3.5Å
26F91Very high71Confident12 Ų1279.6 Ų79.65%0.05340%0.404CS..SBendtrans-114.2131.1-178.8-83.1-107.7000111.4V28 K77 F80 Q81 V102 F106F26-V28 VanDerWaalsContact C-N 3.33Å; F26-K77 HydrophobicContact CD1-CD 3.83Å; F26-K77 HydrophobicContact CD1-CG 4.01Å; F26-K77 HydrophobicContact CD2-CG 4.22Å; F26-K77 HydrophobicContact CE1-CD 4.2Å; F26-K77 HydrophobicContact CE1-CG 4.1Å; F26-K77 HydrophobicContact CE2-CG 4.32Å; F26-K77 HydrophobicContact CG-CD 4.15Å; F26-K77 HydrophobicContact CG-CG 4.07Å; F26-K77 HydrophobicContact CZ-CG 4.26Å; F26-F80 HydrophobicContact CE2-CB 3.73Å; F26-F80 HydrophobicContact CZ-CB 4.38Å; F26-Q81 HydrophobicContact CB-CG 4.33Å; F26-Q81 HydrophobicContact CD2-CG 3.88Å; F26-Q81 HydrophobicContact CG-CG 4.43Å; F26-V102 HydrophobicContact CE1-CG1 4.15Å; F26-V102 HydrophobicContact CZ-CG1 3.76Å; F26-F106 HydrophobicContact CD1-CB 4.42Å; F26-F106 HydrophobicContact CD1-CD2 4.28Å; F26-F106 HydrophobicContact CE1-CB 3.83Å; F26-F106 HydrophobicContact CE1-CD2 4.09Å; F26-F106 HydrophobicContact CE1-CG 4.49Å; F26-F106 HydrophobicContact CE2-CD2 4.5Å; F26-F106 HydrophobicContact CZ-CB 4.37Å; F26-F106 HydrophobicContact CZ-CD2 4.2Å
27G88.7Confident72.9Confident37 Ų3771.9 Ų71.938%0.38138%0.377SS..SBendtrans82.25.9178.800000115.5E109G27-E109 WeakPolarHBondContact CA-O 3.37Å
28V89.1Confident74.4Confident8 Ų867.6 Ų67.65%0.04837%0.374CS..SBendtrans-87.2150.6174.3168.20000110.1V20 D24 F26 V32 L33V20-V28 HydrophobicContact CG1-CG2 4.42Å; D24-V28 HydrophobicContact CB-CG2 4.16Å; D24-V28 WeakPolarHBondContact O-CG2 3.38Å; F26-V28 VanDerWaalsContact C-N 3.33Å; V28-V32 HydrophobicContact CG1-CB 3.73Å; V28-V32 HydrophobicContact CG1-CG1 3.66Å; V28-L33 HydrophobicContact CB-CD2 3.98Å; V28-L33 HydrophobicContact CB-CG 4.25Å; V28-L33 HydrophobicContact CG1-CD2 3.87Å; V28-L33 HydrophobicContact CG1-CG 4.02Å
29P90.7Very high75.8Confident59 Ų5966.8 Ų66.838%0.38337%0.369SS..  trans-58.6139.9174.9-21.431.4000111.9K31 V32 L33 P111P29-K31 VanDerWaalsContact C-N 3.28Å; P29-K31 PolarHBondContact O-N 3.08Å; P29-V32 HydrophobicContact CB-CG2 4.29Å; P29-V32 HydrophobicContact CG-CG2 4.4Å; P29-V32 PolarHBondContact O-N 3.48Å; P29-L33 PolarHBondContact O-N 3.17Å; P29-P111 HydrophobicContact CB-CG 4.15Å; P29-P111 HydrophobicContact CG-CG 3.95Å
30L90.9Very high77.6Confident7 Ų765.9 Ų65.94%0.03736%0.359CS..Hα-helixtrans-56.4-40.6-173.4-179.160.8000113.3V32 L33 L34 P43 L110 L114 E151 N152 L155L30-V32 VanDerWaalsContact C-N 3.34Å; L30-V32 PolarHBondContact O-N 2.97Å; L30-L33 WeakPolarHBondContact O-CB 3.41Å; L30-L33 PolarHBondContact O-N 3.5Å; L30-L33 VanDerWaalsContact O-N 3.12Å; L30-L34 HydrophobicContact CD1-CD1 4.42Å; L30-L34 HydrophobicContact CD1-CG 4.49Å; L30-L34 HydrophobicContact CG-CD1 4.23Å; L30-L34 PolarHBondContact O-N 3.3Å; L30-P43 HydrophobicContact CD1-CG 3.47Å; L30-P43 VanDerWaalsContact CD1-CG 3.47Å; L30-L110 HydrophobicContact CB-CD2 4.47Å; L30-L114 HydrophobicContact CD2-CD1 4.28Å; L30-E151 HydrophobicContact CD2-CB 4.14Å; L30-E151 VanDerWaalsContact CD2-O 3.27Å; L30-E151 WeakPolarHBondContact CD2-O 3.46Å; L30-E151 HydrophobicContact CG-CB 4.24Å; L30-N152 HydrophobicContact CD2-CB 4.37Å; L30-N152 WeakPolarHBondContact CD2-OD1 3.44Å; L30-L155 HydrophobicContact CD1-CD2 3.65Å; L30-L155 HydrophobicContact CD2-CB 3.99Å; L30-L155 HydrophobicContact CD2-CD2 3.62Å; L30-L155 HydrophobicContact CD2-CG 4.43Å; L30-L155 HydrophobicContact CG-CD2 4.3Å
31K89.1Confident79.5Confident113 Ų11363.6 Ų63.649%0.49135%0.346SS..Hα-helixtrans-54.4-47.6173.7179.9168.8-166.8136.50112.7P29 L33 L34 D35 E151P29-K31 VanDerWaalsContact C-N 3.28Å; P29-K31 PolarHBondContact O-N 3.08Å; K31-L33 PolarHBondContact O-N 3.07Å; K31-L34 CarbonylContact O-C 3.55Å; K31-L34 PolarHBondContact O-N 2.75Å; K31-L34 VanDerWaalsContact O-N 3.16Å; K31-D35 WeakPolarHBondContact CE-OD2 3.45Å; K31-D35 VanDerWaalsContact CG-OD2 3.24Å; K31-D35 WeakPolarHBondContact CG-OD2 3.41Å; K31-D35 WeakPolarHBondContact O-CB 3.42Å; K31-D35 PolarHBondContact O-N 3.13Å; K31-E151 HydrophobicContact CB-CG 4.27Å; K31-E151 VanDerWaalsContact CD-OE1 3.23Å; K31-E151 WeakPolarHBondContact CD-OE1 3.47Å; K31-E151 WeakPolarHBondContact CG-OE1 3.22Å; K31-E151 IonicContact NZ-OE1 3.29Å; K31-E151 PolarHBondContact NZ-OE1 3.42Å
32V88.3Confident81.4Confident61 Ų6158.2 Ų58.237%0.3732%0.322SS..Hα-helixtrans-68.1-21.8-179.5178.90000112.2V28 P29 L30 R36V28-V32 HydrophobicContact CG1-CB 3.73Å; V28-V32 HydrophobicContact CG1-CG1 3.66Å; P29-V32 HydrophobicContact CB-CG2 4.29Å; P29-V32 HydrophobicContact CG-CG2 4.4Å; P29-V32 PolarHBondContact O-N 3.48Å; L30-V32 VanDerWaalsContact C-N 3.34Å; L30-V32 PolarHBondContact O-N 2.97Å; V32-R36 WeakPolarHBondContact O-CD 3.32Å; V32-R36 VanDerWaalsContact O-CG 3.29Å; V32-R36 WeakPolarHBondContact O-CG 3.44Å; V32-R36 PolarHBondContact O-NE 3.11Å
33L86.9Confident83.2Confident7 Ų753.1 Ų53.14%0.03729%0.291CS..Hα-helixtrans-77.4-47.7169.6-62.5175.6000111.1V28 P29 L30 K31 D35 R36 D37 F106V28-L33 HydrophobicContact CB-CD2 3.98Å; V28-L33 HydrophobicContact CB-CG 4.25Å; V28-L33 HydrophobicContact CG1-CD2 3.87Å; V28-L33 HydrophobicContact CG1-CG 4.02Å; P29-L33 PolarHBondContact O-N 3.17Å; L30-L33 WeakPolarHBondContact O-CB 3.41Å; L30-L33 PolarHBondContact O-N 3.5Å; L30-L33 VanDerWaalsContact O-N 3.12Å; K31-L33 PolarHBondContact O-N 3.07Å; L33-D35 VanDerWaalsContact C-N 3.29Å; L33-D35 PolarHBondContact O-N 3.02Å; L33-R36 PolarHBondContact O-N 3.21Å; L33-R36 VanDerWaalsContact O-N 3.08Å; L33-D37 PolarHBondContact O-N 3.16Å; L33-F106 HydrophobicContact CD1-CE2 3.81Å; L33-F106 HydrophobicContact CD1-CZ 3.72Å
34L87Confident84.3Confident5 Ų549.2 Ų49.23%0.02627%0.269CS..Hα-helixtrans-68.4-22.9178.7-73.7173.9000114.1L30 K31 R36 K40 P41 P43 E151L30-L34 HydrophobicContact CD1-CD1 4.42Å; L30-L34 HydrophobicContact CD1-CG 4.49Å; L30-L34 HydrophobicContact CG-CD1 4.23Å; L30-L34 PolarHBondContact O-N 3.3Å; K31-L34 CarbonylContact O-C 3.55Å; K31-L34 PolarHBondContact O-N 2.75Å; K31-L34 VanDerWaalsContact O-N 3.16Å; L34-R36 VanDerWaalsContact C-N 3.29Å; L34-K40 WeakPolarHBondContact O-CE 3.33Å; L34-P41 WeakPolarHBondContact CD1-O 2.96Å; L34-P43 HydrophobicContact CD2-CG 3.93Å; L34-P43 HydrophobicContact CG-CG 4.14Å; L34-E151 HydrophobicContact CD1-CB 3.77Å; L34-E151 HydrophobicContact CD1-CG 3.97Å
35D85.7Confident84.7Confident92 Ų9247.6 Ų47.649%0.49226%0.261SS..THydrogen-bonded Turntrans-82.8-6.7172.9-69.4-30.2000112.8K31 L33 K40K31-D35 WeakPolarHBondContact CE-OD2 3.45Å; K31-D35 VanDerWaalsContact CG-OD2 3.24Å; K31-D35 WeakPolarHBondContact CG-OD2 3.41Å; K31-D35 WeakPolarHBondContact O-CB 3.42Å; K31-D35 PolarHBondContact O-N 3.13Å; L33-D35 VanDerWaalsContact C-N 3.29Å; L33-D35 PolarHBondContact O-N 3.02Å; D35-K40 IonicContact OD1-NZ 3.24Å; D35-K40 PolarHBondContact OD1-NZ 3.42Å
36R81.6Confident85.1Confident83 Ų8346.7 Ų46.731%0.31326%0.256SS..THydrogen-bonded Turntrans-99.6-45.9167.6-63.6168.4-170171.61.6111.8T22 D24 V32 L33 L34 S38T22-R36 PolarHBondContact O-NE 3.27Å; T22-R36 PolarHBondContact O-NH1 3Å; T22-R36 PolarHBondContact O-NH2 2.97Å; T22-R36 VanDerWaalsContact O-NH2 3.1Å; D24-R36 PolarHBondContact O-NH1 3.5Å; V32-R36 WeakPolarHBondContact O-CD 3.32Å; V32-R36 VanDerWaalsContact O-CG 3.29Å; V32-R36 WeakPolarHBondContact O-CG 3.44Å; V32-R36 PolarHBondContact O-NE 3.11Å; L33-R36 PolarHBondContact O-N 3.21Å; L33-R36 VanDerWaalsContact O-N 3.08Å; L34-R36 VanDerWaalsContact C-N 3.29Å; R36-S38 PolarHBondContact O-N 3.33Å
37D77.9Confident85.1Confident31 Ų3150.9 Ų50.917%0.16627%0.274CS..  trans-71.1119.2177.8-82.2-9.2000110.1L33 T39 P43 R44L33-D37 PolarHBondContact O-N 3.16Å; D37-T39 PolarHBondContact O-N 3.38Å; D37-P43 VanDerWaalsContact OD2-CA 3.22Å; D37-P43 WeakPolarHBondContact OD2-CA 3.36Å; D37-R44 PolarHBondContact OD2-N 3.49Å
38S67.8Low85.1Confident128 Ų12850.3 Ų50.390%0.89526%0.262SS*.SBendtrans-61.9-15.4171.6-44.20000113R36 K40R36-S38 PolarHBondContact O-N 3.33Å; S38-K40 PolarHBondContact O-N 2.77Å; S38-K40 VanDerWaalsContact O-N 3.13Å
39T68.9Low85.3Confident56 Ų5650 Ų5034%0.34426%0.26SS..SBendtrans-83.475.3177.959.10000111.9D37 V42D37-T39 PolarHBondContact O-N 3.38Å; T39-V42 CarbonylContact O-C 3.59Å; T39-V42 PolarHBondContact O-N 2.97Å; T39-V42 PolarHBondContact OG1-O 3.01Å
40K73.1Confident85.5Confident133 Ų13347.1 Ų47.158%0.57824%0.242SC*.  trans-77.7141.9164-66-175.1174.4-174.80109.3L34 D35 S38L34-K40 WeakPolarHBondContact O-CE 3.33Å; D35-K40 IonicContact OD1-NZ 3.24Å; D35-K40 PolarHBondContact OD1-NZ 3.42Å; S38-K40 PolarHBondContact O-N 2.77Å; S38-K40 VanDerWaalsContact O-N 3.13Å
41P83.1Confident85.6Confident58 Ų5849.2 Ų49.238%0.37725%0.253SS..SBendcis-103.39.910.639.4-34.2000115.7L34 E154L34-P41 WeakPolarHBondContact CD1-O 2.96Å; P41-E154 HydrophobicContact CB-CB 3.73Å; P41-E154 HydrophobicContact CB-CG 3.87Å; P41-E154 HydrophobicContact CG-CB 4.08Å; P41-E154 HydrophobicContact CG-CG 4.29Å
42V89.1Confident85.8Confident13 Ų1344.2 Ų44.28%0.07923%0.231CC..SBendtrans-128128.6-174.5174.10000110.8T39 R44 V46 L155 Y158T39-V42 CarbonylContact O-C 3.59Å; T39-V42 PolarHBondContact O-N 2.97Å; T39-V42 PolarHBondContact OG1-O 3.01Å; V42-R44 PolarHBondContact O-N 3.24Å; V42-V46 HydrophobicContact CG1-CB 3.97Å; V42-V46 HydrophobicContact CG1-CG1 3.98Å; V42-L155 HydrophobicContact CG1-CD1 4.21Å; V42-Y158 HydrophobicContact CG1-CD1 3.89Å; V42-Y158 HydrophobicContact CG1-CE1 4.09Å; V42-Y158 HydrophobicContact CG1-CG 4.3Å; V42-Y158 HydrophobicContact CG2-CD1 4.23Å; V42-Y158 HydrophobicContact CG2-CD2 4.2Å; V42-Y158 HydrophobicContact CG2-CG 3.81Å
43P90.1Very high86.1Confident2 Ų241.3 Ų41.31%0.01321%0.214CC..  trans-57.1139.8-177.7-23.732.9000112.5L30 L34 D37 I45 V46 K47 F106L30-P43 HydrophobicContact CD1-CG 3.47Å; L30-P43 VanDerWaalsContact CD1-CG 3.47Å; L34-P43 HydrophobicContact CD2-CG 3.93Å; L34-P43 HydrophobicContact CG-CG 4.14Å; D37-P43 VanDerWaalsContact OD2-CA 3.22Å; D37-P43 WeakPolarHBondContact OD2-CA 3.36Å; P43-I45 PolarHBondContact O-N 3.45Å; P43-I45 VanDerWaalsContact O-N 3.15Å; P43-V46 HydrophobicContact CB-CG2 4.48Å; P43-V46 WeakPolarHBondContact O-CB 3.21Å; P43-V46 PolarHBondContact O-N 3.39Å; P43-K47 PolarHBondContact O-N 3.49Å; P43-K47 VanDerWaalsContact O-N 3.13Å; P43-F106 HydrophobicContact CG-CZ 4.43Å
44R87Confident86.4Confident70 Ų7042.3 Ų42.326%0.26422%0.219SC..Hα-helixtrans-56.8-39-171.6-175.3176.4176.1-169.4-4.9112.1D37 V42 V46 K47 N48 A85 D87D37-R44 PolarHBondContact OD2-N 3.49Å; V42-R44 PolarHBondContact O-N 3.24Å; R44-V46 VanDerWaalsContact C-N 3.3Å; R44-V46 PolarHBondContact O-N 2.94Å; R44-K47 PolarHBondContact O-N 3.38Å; R44-N48 WeakPolarHBondContact CG-OD1 3.43Å; R44-N48 WeakPolarHBondContact O-CB 3.25Å; R44-N48 PolarHBondContact O-N 2.93Å; R44-N48 PolarHBondContact O-OD1 3.49Å; R44-A85 PolarHBondContact NH2-O 3.47Å; R44-D87 IonicContact CZ-OD1 2.7Å; R44-D87 IonicContact NE-OD1 3.83Å; R44-D87 IonicContact NH2-OD1 3.6Å; R44-D87 PolarHBondContact NH2-OD1 2.74Å; R44-D87 IonicContact NH2-OD2 3.75Å; R44-D87 PolarHBondContact NH2-OD2 2.99Å
45I89Confident86.6Confident5 Ų547.1 Ų47.13%0.02624%0.241CC..Hα-helixtrans-59-39.8177.2-63.2163.9000111.7N25 P43 I49 F80 A84N25-I45 HydrophobicContact CB-CD1 3.56Å; P43-I45 PolarHBondContact O-N 3.45Å; P43-I45 VanDerWaalsContact O-N 3.15Å; I45-I49 HydrophobicContact CG2-CD1 3.87Å; I45-I49 WeakPolarHBondContact O-CB 3.37Å; I45-I49 WeakPolarHBondContact O-CD1 3.47Å; I45-I49 WeakPolarHBondContact O-CG1 3.37Å; I45-I49 PolarHBondContact O-N 3.38Å; I45-F80 HydrophobicContact CD1-CB 4.23Å; I45-F80 HydrophobicContact CG1-CB 4.43Å; I45-F80 HydrophobicContact CG2-CB 4.25Å; I45-F80 HydrophobicContact CG2-CD1 4.35Å; I45-F80 HydrophobicContact CG2-CD2 4.42Å; I45-F80 HydrophobicContact CG2-CG 4.12Å; I45-A84 HydrophobicContact CD1-CB 3.96Å; I45-A84 HydrophobicContact CG1-CB 3.84Å
46V92.5Very high87Confident1 Ų148.5 Ų48.51%0.00624%0.24CC..Hα-helixtrans-69.5-45.1176.7176.80000110.3V42 P43 R44 I49 C50 L103 F106 L155 Y158V42-V46 HydrophobicContact CG1-CB 3.97Å; V42-V46 HydrophobicContact CG1-CG1 3.98Å; P43-V46 HydrophobicContact CB-CG2 4.48Å; P43-V46 WeakPolarHBondContact O-CB 3.21Å; P43-V46 PolarHBondContact O-N 3.39Å; R44-V46 VanDerWaalsContact C-N 3.3Å; R44-V46 PolarHBondContact O-N 2.94Å; V46-I49 PolarHBondContact O-N 3.25Å; V46-C50 WeakPolarHBondContact O-CB 3.42Å; V46-C50 PolarHBondContact O-N 3.3Å; V46-C50 PolarHBondContact O-SG 2.84Å; V46-C50 VanDerWaalsContact O-SG 3.37Å; V46-L103 HydrophobicContact CG1-CD1 4.08Å; V46-F106 HydrophobicContact CG2-CD1 3.7Å; V46-F106 HydrophobicContact CG2-CE1 3.38Å; V46-F106 HydrophobicContact CG2-CZ 3.97Å; V46-L155 HydrophobicContact CB-CD1 4.38Å; V46-L155 HydrophobicContact CG1-CD1 3.8Å; V46-L155 HydrophobicContact CG2-CD1 4.24Å; V46-Y158 HydrophobicContact CG1-CD1 4.31Å; V46-Y158 HydrophobicContact CG1-CE1 4.19Å
47K91.2Very high87.4Confident100 Ų10044.5 Ų44.544%0.43523%0.225SC..Hα-helixtrans-60-57.2179.2-175.6176.4179.2-172.60111.2P43 R44 I49 C50 D51P43-K47 PolarHBondContact O-N 3.49Å; P43-K47 VanDerWaalsContact O-N 3.13Å; R44-K47 PolarHBondContact O-N 3.38Å; K47-I49 VanDerWaalsContact C-N 3.27Å; K47-I49 PolarHBondContact O-N 2.88Å; K47-C50 PolarHBondContact O-N 3.32Å; K47-C50 VanDerWaalsContact O-N 3.09Å; K47-D51 VanDerWaalsContact CE-OD2 3.27Å; K47-D51 WeakPolarHBondContact CE-OD2 3.43Å; K47-D51 VanDerWaalsContact CG-OD2 3.25Å; K47-D51 WeakPolarHBondContact CG-OD2 3.27Å; K47-D51 WeakPolarHBondContact O-CB 3.33Å; K47-D51 VanDerWaalsContact O-CG 3.28Å; K47-D51 PolarHBondContact O-N 3.25Å
48N89.2Confident88.2Confident24 Ų2445.5 Ų45.513%0.12823%0.23CC..Hα-helixtrans-53.1-41.9179.1-79.333.7000112.4R44 Y52 D87 L88R44-N48 WeakPolarHBondContact CG-OD1 3.43Å; R44-N48 WeakPolarHBondContact O-CB 3.25Å; R44-N48 PolarHBondContact O-N 2.93Å; R44-N48 PolarHBondContact O-OD1 3.49Å; N48-Y52 WeakPolarHBondContact O-CB 3.46Å; N48-Y52 PolarHBondContact O-N 2.92Å; N48-D87 PolarHBondContact ND2-OD1 3.11Å; N48-L88 HydrophobicContact CB-CD1 4.4Å
49I92.9Very high89.5Confident1 Ų144.6 Ų44.61%0.00522%0.215CC..Hα-helixtrans-69.6-46.5177.2-69.4170000111.7I45 V46 K47 L53 F80 L88 L99 V102 L103I45-I49 HydrophobicContact CG2-CD1 3.87Å; I45-I49 WeakPolarHBondContact O-CB 3.37Å; I45-I49 WeakPolarHBondContact O-CD1 3.47Å; I45-I49 WeakPolarHBondContact O-CG1 3.37Å; I45-I49 PolarHBondContact O-N 3.38Å; V46-I49 PolarHBondContact O-N 3.25Å; K47-I49 VanDerWaalsContact C-N 3.27Å; K47-I49 PolarHBondContact O-N 2.88Å; I49-L53 HydrophobicContact CG2-CD1 3.76Å; I49-L53 HydrophobicContact CG2-CG 4.3Å; I49-L53 WeakPolarHBondContact O-CB 3.5Å; I49-L53 VanDerWaalsContact O-CG 3.23Å; I49-L53 WeakPolarHBondContact O-CG 3.25Å; I49-L53 PolarHBondContact O-N 3.4Å; I49-F80 HydrophobicContact CD1-CD2 4.34Å; I49-F80 HydrophobicContact CD1-CE2 3.78Å; I49-F80 HydrophobicContact CD1-CZ 4.07Å; I49-F80 HydrophobicContact CG1-CE2 4.2Å; I49-F80 HydrophobicContact CG1-CZ 3.99Å; I49-L88 HydrophobicContact CG1-CD1 4.06Å; I49-L99 HydrophobicContact CG1-CD1 4.05Å; I49-L99 HydrophobicContact CG1-CG 4.25Å; I49-L99 HydrophobicContact CG2-CD2 4.27Å; I49-L99 HydrophobicContact CG2-CG 3.95Å; I49-V102 HydrophobicContact CD1-CB 4.38Å; I49-V102 HydrophobicContact CD1-CG1 3.86Å; I49-L103 HydrophobicContact CG2-CB 3.96Å; I49-L103 HydrophobicContact CG2-CD2 4.46Å
50C94.6Very high90.7Very high0 Ų042.8 Ų42.80%021%0.205CC..Hα-helixtrans-62.6-43.8179.5-75.90000111.7V46 K47 L53 L54 Y158 F162V46-C50 WeakPolarHBondContact O-CB 3.42Å; V46-C50 PolarHBondContact O-N 3.3Å; V46-C50 PolarHBondContact O-SG 2.84Å; V46-C50 VanDerWaalsContact O-SG 3.37Å; K47-C50 PolarHBondContact O-N 3.32Å; K47-C50 VanDerWaalsContact O-N 3.09Å; C50-L53 CarbonylContact O-C 3.48Å; C50-L53 PolarHBondContact O-N 3.46Å; C50-L54 WeakPolarHBondContact O-CG 3.37Å; C50-L54 PolarHBondContact O-N 3.26Å; C50-Y158 HydrophobicContact CB-CE1 3.87Å; C50-F162 HydrophobicContact CB-CD2 3.7Å; C50-F162 HydrophobicContact CB-CE2 3.86Å; C50-F162 HydrophobicContact CB-CG 4.16Å; C50-F162 HydrophobicContact CB-CZ 4.45Å; C50-F162 WeakPolarHBondContact O-CE2 3.3Å
51D92.4Very high91.8Very high50 Ų5041.8 Ų41.827%0.26720%0.202SC..Hα-helixtrans-64.2-46-179.3-64.7-12.1000110.5K47 L53 L54 H55 Y158K47-D51 VanDerWaalsContact CE-OD2 3.27Å; K47-D51 WeakPolarHBondContact CE-OD2 3.43Å; K47-D51 VanDerWaalsContact CG-OD2 3.25Å; K47-D51 WeakPolarHBondContact CG-OD2 3.27Å; K47-D51 WeakPolarHBondContact O-CB 3.33Å; K47-D51 VanDerWaalsContact O-CG 3.28Å; K47-D51 PolarHBondContact O-N 3.25Å; D51-L53 VanDerWaalsContact C-N 3.32Å; D51-L53 PolarHBondContact O-N 2.89Å; D51-L54 PolarHBondContact O-N 3.02Å; D51-L54 VanDerWaalsContact O-N 3.14Å; D51-H55 PolarHBondContact O-CD2 3.32Å; D51-H55 VanDerWaalsContact O-CD2 3.23Å; D51-H55 PolarHBondContact O-N 3.49Å; D51-Y158 PolarHBondContact OD1-OH 2.8Å
52Y92.7Very high92.4Very high9 Ų939 Ų394%0.03518%0.184CC..Hα-helixtrans-61.2-38.2174-169-82.1000112.7N48 L54 H55 Y56 L88 L91 V94 L99N48-Y52 WeakPolarHBondContact O-CB 3.46Å; N48-Y52 PolarHBondContact O-N 2.92Å; Y52-L54 VanDerWaalsContact C-N 3.34Å; Y52-H55 PolarHBondContact O-N 2.83Å; Y52-Y56 AromaticContact CD1-CD2 3.92Å; Y52-Y56 HydrophobicContact CD1-CD2 3.92Å; Y52-Y56 AromaticContact CD2-CD2 3.57Å; Y52-Y56 HydrophobicContact CD2-CD2 3.57Å; Y52-Y56 AromaticContact CD2-CE2 3.71Å; Y52-Y56 HydrophobicContact CD2-CE2 3.71Å; Y52-Y56 AromaticContact CE1-CD2 3.74Å; Y52-Y56 HydrophobicContact CE1-CD2 3.74Å; Y52-Y56 HydrophobicContact CE1-CG 4.17Å; Y52-Y56 AromaticContact CE2-CD2 3.4Å; Y52-Y56 HydrophobicContact CE2-CD2 3.4Å; Y52-Y56 AromaticContact CE2-CE2 3.51Å; Y52-Y56 HydrophobicContact CE2-CE2 3.51Å; Y52-Y56 HydrophobicContact CE2-CG 4.37Å; Y52-Y56 AromaticContact CG-CD2 3.83Å; Y52-Y56 HydrophobicContact CG-CD2 3.83Å; Y52-Y56 HydrophobicContact CG-CE2 4.39Å; Y52-Y56 AromaticContact CZ-CD2 3.47Å; Y52-Y56 VanDerWaalsContact CZ-CD2 3.47Å; Y52-Y56 PolarHBondContact O-N 2.9Å; Y52-L88 HydrophobicContact CD2-CB 3.53Å; Y52-L88 HydrophobicContact CE2-CB 4.14Å; Y52-L88 WeakPolarHBondContact CE2-O 3.36Å; Y52-L88 HydrophobicContact CG-CB 4.01Å; Y52-L91 PolarHBondContact OH-O 2.95Å; Y52-V94 HydrophobicContact CE1-CB 3.89Å; Y52-V94 HydrophobicContact CE1-CG1 4.32Å; Y52-V94 HydrophobicContact CE1-CG2 4.34Å; Y52-V94 HydrophobicContact CE2-CG2 4.3Å; Y52-V94 WeakPolarHBondContact OH-CB 3.19Å; Y52-L99 HydrophobicContact CD1-CD2 3.5Å; Y52-L99 VanDerWaalsContact CD1-CD2 3.5Å; Y52-L99 HydrophobicContact CE1-CD2 4.26Å; Y52-L99 HydrophobicContact CG-CD2 4.04Å
53L94.6Very high92.7Very high0 Ų038.4 Ų38.40%018%0.18CC..Hα-helixtrans-73.3-22.5176.6-69.3178000113.4I49 C50 D51 G57 L58 I63 F64 I96 L99 A100 F162I49-L53 HydrophobicContact CG2-CD1 3.76Å; I49-L53 HydrophobicContact CG2-CG 4.3Å; I49-L53 WeakPolarHBondContact O-CB 3.5Å; I49-L53 VanDerWaalsContact O-CG 3.23Å; I49-L53 WeakPolarHBondContact O-CG 3.25Å; I49-L53 PolarHBondContact O-N 3.4Å; C50-L53 CarbonylContact O-C 3.48Å; C50-L53 PolarHBondContact O-N 3.46Å; D51-L53 VanDerWaalsContact C-N 3.32Å; D51-L53 PolarHBondContact O-N 2.89Å; L53-G57 CarbonylContact O-C 3.55Å; L53-G57 VanDerWaalsContact O-C 3.31Å; L53-G57 WeakPolarHBondContact O-CA 3.26Å; L53-G57 PolarHBondContact O-N 2.75Å; L53-L58 PolarHBondContact O-N 2.74Å; L53-L58 VanDerWaalsContact O-N 3.15Å; L53-I63 HydrophobicContact CD2-CD1 4.22Å; L53-F64 HydrophobicContact CD1-CE1 4.12Å; L53-F64 HydrophobicContact CD1-CZ 3.72Å; L53-I96 HydrophobicContact CD2-CG2 3.77Å; L53-L99 HydrophobicContact CD2-CB 4.36Å; L53-L99 HydrophobicContact CD2-CD2 4.07Å; L53-L99 HydrophobicContact CG-CD2 4.1Å; L53-A100 HydrophobicContact CD1-CB 4.17Å; L53-A100 HydrophobicContact CD2-CB 4.48Å; L53-F162 HydrophobicContact CB-CE2 4.17Å; L53-F162 HydrophobicContact CB-CZ 4.04Å; L53-F162 HydrophobicContact CD1-CZ 4.35Å
54L94.4Very high93.1Very high27 Ų2738.4 Ų38.414%0.14118%0.18CC..Hα-helixtrans-73.5-50.6166.7-70.2176.9000110.7C50 D51 Y52 L58 F162 K165 I166C50-L54 WeakPolarHBondContact O-CG 3.37Å; C50-L54 PolarHBondContact O-N 3.26Å; D51-L54 PolarHBondContact O-N 3.02Å; D51-L54 VanDerWaalsContact O-N 3.14Å; Y52-L54 VanDerWaalsContact C-N 3.34Å; L54-L58 HydrophobicContact CD2-CG 4.5Å; L54-L58 VanDerWaalsContact O-CD1 3.28Å; L54-L58 WeakPolarHBondContact O-CD1 3.47Å; L54-L58 VanDerWaalsContact O-CG 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.24Å; L54-F162 HydrophobicContact CD1-CD2 4.21Å; L54-F162 HydrophobicContact CD2-CD2 3.91Å; L54-F162 HydrophobicContact CD2-CE2 3.97Å; L54-F162 HydrophobicContact CG-CD2 3.86Å; L54-F162 HydrophobicContact CG-CE2 3.89Å; L54-K165 HydrophobicContact CD1-CD 4.2Å; L54-K165 HydrophobicContact CD2-CB 3.82Å; L54-K165 HydrophobicContact CD2-CD 4.2Å; L54-I166 HydrophobicContact CD2-CD1 4.19Å
55H91.9Very high93.5Very high106 Ų10640.8 Ų40.849%0.49119%0.189SC..Hα-helixtrans-61.3-50.4-178.8-79.5-76.6000113.5D51 Y52 F443D51-H55 PolarHBondContact O-CD2 3.32Å; D51-H55 VanDerWaalsContact O-CD2 3.23Å; D51-H55 PolarHBondContact O-N 3.49Å; Y52-H55 PolarHBondContact O-N 2.83Å; H55-F443 AromaticContact CE1-CE1 3.58Å; H55-F443 AromaticContact CE1-CZ 3.45Å; H55-F443 VanDerWaalsContact CE1-CZ 3.45Å; H55-F443 WeakPolarHBondContact CE1-CZ 3.43Å; H55-F443 AromaticContact ND1-CE1 3.95Å; H55-F443 AromaticContact NE2-CZ 3.63Å
56Y92.2Very high93.8Very high121 Ų12143.9 Ų43.948%0.47521%0.205SC..THydrogen-bonded Turntrans-111.7-24.3-171-55.5-75000113.3Y52 I96Y52-Y56 AromaticContact CD1-CD2 3.92Å; Y52-Y56 HydrophobicContact CD1-CD2 3.92Å; Y52-Y56 AromaticContact CD2-CD2 3.57Å; Y52-Y56 HydrophobicContact CD2-CD2 3.57Å; Y52-Y56 AromaticContact CD2-CE2 3.71Å; Y52-Y56 HydrophobicContact CD2-CE2 3.71Å; Y52-Y56 AromaticContact CE1-CD2 3.74Å; Y52-Y56 HydrophobicContact CE1-CD2 3.74Å; Y52-Y56 HydrophobicContact CE1-CG 4.17Å; Y52-Y56 AromaticContact CE2-CD2 3.4Å; Y52-Y56 HydrophobicContact CE2-CD2 3.4Å; Y52-Y56 AromaticContact CE2-CE2 3.51Å; Y52-Y56 HydrophobicContact CE2-CE2 3.51Å; Y52-Y56 HydrophobicContact CE2-CG 4.37Å; Y52-Y56 AromaticContact CG-CD2 3.83Å; Y52-Y56 HydrophobicContact CG-CD2 3.83Å; Y52-Y56 HydrophobicContact CG-CE2 4.39Å; Y52-Y56 AromaticContact CZ-CD2 3.47Å; Y52-Y56 VanDerWaalsContact CZ-CD2 3.47Å; Y52-Y56 PolarHBondContact O-N 2.9Å; Y56-I96 WeakPolarHBondContact O-CD1 3.44Å
57G91.9Very high93.8Very high0 Ų049.9 Ų49.90%024%0.237CC..THydrogen-bonded Turntrans-84.5-23.3-174.300000115.5L53 N59 S60 I63L53-G57 CarbonylContact O-C 3.55Å; L53-G57 VanDerWaalsContact O-C 3.31Å; L53-G57 WeakPolarHBondContact O-CA 3.26Å; L53-G57 PolarHBondContact O-N 2.75Å; G57-N59 VanDerWaalsContact C-N 3.26Å; G57-N59 PolarHBondContact O-N 3.17Å; G57-S60 VanDerWaalsContact O-CB 3.31Å; G57-S60 WeakPolarHBondContact O-CB 3.46Å; G57-S60 PolarHBondContact O-N 3.16Å; G57-I63 WeakPolarHBondContact O-CD1 3.34Å
58L94Very high93.9Very high51 Ų5145.8 Ų45.827%0.26722%0.223SC..THydrogen-bonded Turntrans-51.4-39.4-167.3-99.8174.8000114.8L53 L54 K165 I166 N169 N173L53-L58 PolarHBondContact O-N 2.74Å; L53-L58 VanDerWaalsContact O-N 3.15Å; L54-L58 HydrophobicContact CD2-CG 4.5Å; L54-L58 VanDerWaalsContact O-CD1 3.28Å; L54-L58 WeakPolarHBondContact O-CD1 3.47Å; L54-L58 VanDerWaalsContact O-CG 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.24Å; L58-K165 WeakPolarHBondContact CD2-O 3.49Å; L58-I166 HydrophobicContact CD2-CD1 4.01Å; L58-N169 HydrophobicContact CD2-CB 4Å; L58-N169 PolarHBondContact O-ND2 3.03Å; L58-N173 WeakPolarHBondContact O-CB 3.4Å; L58-N173 PolarHBondContact O-ND2 3.21Å
59N94.3Very high94.1Very high109 Ų10947.2 Ų47.258%0.58324%0.235SC*.THydrogen-bonded Turntrans-89.1-2.5-176.9-69.3-29.4000114.2G57 Q61 N169 V172G57-N59 VanDerWaalsContact C-N 3.26Å; G57-N59 PolarHBondContact O-N 3.17Å; N59-Q61 PolarHBondContact O-N 3.38Å; N59-N169 PolarHBondContact OD1-ND2 3.17Å; N59-V172 HydrophobicContact CB-CG1 3.99Å
60S95Very high94.1Very high18 Ų1850.4 Ų50.413%0.12626%0.262CS..  trans-73.3111.1-175.2-710000112.2G57 G62 I63 I96 N173G57-S60 VanDerWaalsContact O-CB 3.31Å; G57-S60 WeakPolarHBondContact O-CB 3.46Å; G57-S60 PolarHBondContact O-N 3.16Å; S60-G62 PolarHBondContact O-N 3.08Å; S60-I63 WeakPolarHBondContact O-CB 3.32Å; S60-I63 PolarHBondContact O-N 3.45Å; S60-I96 WeakPolarHBondContact OG-CD1 3.28Å; S60-N173 WeakPolarHBondContact O-CB 3.24Å
61Q95.8Very high94Very high113 Ų11358.9 Ų58.953%0.52830%0.299SS..THydrogen-bonded Turntrans-58.3122.2-178.2-167-174.915.900111.9N59 I66 Y97 N173 K174N59-Q61 PolarHBondContact O-N 3.38Å; Q61-I66 VanDerWaalsContact O-CD1 3.24Å; Q61-I66 WeakPolarHBondContact O-CD1 3.32Å; Q61-Y97 PolarHBondContact O-OH 3.28Å; Q61-N173 CarbonylContact C-O 3.48Å; Q61-N173 WeakPolarHBondContact CA-O 3.43Å; Q61-K174 HydrophobicContact CG-CG 3.99Å
62G94.7Very high93.9Very high0 Ų060.1 Ų60.10%031%0.305CS..THydrogen-bonded Turntrans7424.1-178.500000114S60 F64 R65 I66 N173S60-G62 PolarHBondContact O-N 3.08Å; G62-F64 PolarHBondContact O-N 3.2Å; G62-R65 CarbonylContact O-C 3.56Å; G62-R65 WeakPolarHBondContact O-CA 3.24Å; G62-R65 WeakPolarHBondContact O-CB 3.14Å; G62-R65 PolarHBondContact O-N 3.15Å; G62-I66 PolarHBondContact O-N 2.95Å; G62-N173 PolarHBondContact N-O 3.27Å
63I96.6Very high93.9Very high0 Ų061 Ų610%031%0.309CS..THydrogen-bonded Turntrans-47.4140169.5-171.7165.8000111L53 G57 S60 R65 I96 A100 I166 N173 M175L53-I63 HydrophobicContact CD2-CD1 4.22Å; G57-I63 WeakPolarHBondContact O-CD1 3.34Å; S60-I63 WeakPolarHBondContact O-CB 3.32Å; S60-I63 PolarHBondContact O-N 3.45Å; I63-R65 PolarHBondContact O-N 3.48Å; I63-I96 HydrophobicContact CD1-CG2 4.16Å; I63-A100 HydrophobicContact CG1-CB 4.26Å; I63-I166 HydrophobicContact CD1-CD1 4.49Å; I63-I166 HydrophobicContact CG2-CG2 3.77Å; I63-N173 HydrophobicContact CG2-CB 4.3Å; I63-M175 HydrophobicContact CG2-CB 4.48Å; I63-M175 HydrophobicContact CG2-CG 3.9Å; I63-M175 WeakPolarHBondContact O-CE 3.48Å; I63-M175 WeakPolarHBondContact O-CG 3.34Å
64F97.4Very high93.7Very high1 Ų165.8 Ų65.80%0.00434%0.335CS..THydrogen-bonded Turntrans59.8-24.6-167.2-56.8-69.3000117.5L53 G62 A100 L103 K104 F162 L163 I166 L180 I183 F184L53-F64 HydrophobicContact CD1-CE1 4.12Å; L53-F64 HydrophobicContact CD1-CZ 3.72Å; G62-F64 PolarHBondContact O-N 3.2Å; F64-A100 HydrophobicContact CD1-CB 3.67Å; F64-A100 WeakPolarHBondContact CD1-O 3.36Å; F64-A100 HydrophobicContact CE1-CB 3.58Å; F64-A100 HydrophobicContact CG-CB 4.38Å; F64-A100 HydrophobicContact CZ-CB 4.26Å; F64-L103 HydrophobicContact CE1-CB 4.45Å; F64-L103 HydrophobicContact CE1-CD2 3.95Å; F64-L103 HydrophobicContact CZ-CD2 4Å; F64-K104 HydrophobicContact CB-CD 4.42Å; F64-K104 HydrophobicContact CD1-CD 4.16Å; F64-K104 HydrophobicContact CD1-CG 4.11Å; F64-K104 PolarHBondContact O-NZ 2.94Å; F64-F162 AromaticContact CE2-CE1 3.8Å; F64-F162 HydrophobicContact CE2-CE1 3.8Å; F64-F162 AromaticContact CE2-CZ 3.95Å; F64-F162 HydrophobicContact CE2-CZ 3.95Å; F64-F162 AromaticContact CZ-CE1 3.59Å; F64-F162 HydrophobicContact CZ-CE1 3.59Å; F64-F162 AromaticContact CZ-CZ 3.73Å; F64-F162 HydrophobicContact CZ-CZ 3.73Å; F64-L163 HydrophobicContact CD2-CD2 4.45Å; F64-L163 HydrophobicContact CE2-CD2 4.24Å; F64-I166 HydrophobicContact CE2-CG1 4.34Å; F64-L180 HydrophobicContact CB-CD2 4.35Å; F64-L180 HydrophobicContact CD2-CD2 4.09Å; F64-I183 HydrophobicContact CB-CG2 4.23Å; F64-F184 HydrophobicContact CB-CE2 3.93Å; F64-F184 HydrophobicContact CB-CZ 4.48Å; F64-F184 AromaticContact CD1-CE2 3.86Å; F64-F184 HydrophobicContact CD1-CE2 3.86Å; F64-F184 AromaticContact CD1-CZ 3.55Å; F64-F184 HydrophobicContact CD1-CZ 3.55Å; F64-F184 AromaticContact CD2-CE2 3.97Å; F64-F184 HydrophobicContact CD2-CE2 3.97Å; F64-F184 HydrophobicContact CD2-CZ 4.23Å; F64-F184 HydrophobicContact CE1-CE2 4.41Å; F64-F184 AromaticContact CE1-CZ 3.75Å; F64-F184 HydrophobicContact CE1-CZ 3.75Å; F64-F184 HydrophobicContact CE2-CE2 4.5Å; F64-F184 HydrophobicContact CE2-CZ 4.39Å; F64-F184 AromaticContact CG-CE2 3.64Å; F64-F184 HydrophobicContact CG-CE2 3.64Å; F64-F184 AromaticContact CG-CZ 3.82Å; F64-F184 HydrophobicContact CG-CZ 3.82Å; F64-F184 HydrophobicContact CZ-CZ 4.17Å
65R96.1Very high93.5Very high120 Ų12066 Ų6645%0.45335%0.345SS..THydrogen-bonded Turntrans-80.7-43.6175.2-173.8175.972-1452.1112.4G62 I63 K174 M175 I183G62-R65 CarbonylContact O-C 3.56Å; G62-R65 WeakPolarHBondContact O-CA 3.24Å; G62-R65 WeakPolarHBondContact O-CB 3.14Å; G62-R65 PolarHBondContact O-N 3.15Å; I63-R65 PolarHBondContact O-N 3.48Å; R65-K174 PolarHBondContact NH1-O 2.7Å; R65-M175 HydrophobicContact CB-CE 3.78Å; R65-M175 HydrophobicContact CB-SD 3.65Å; R65-I183 HydrophobicContact CB-CD1 3.82Å; R65-I183 HydrophobicContact CG-CD1 4.38Å
66I95.3Very high93.4Very high71 Ų7162.5 Ų62.536%0.36433%0.328SS..SBendtrans-74.3146.6172.3-62.3-178.5000108.6Q61 G62 Y97Q61-I66 VanDerWaalsContact O-CD1 3.24Å; Q61-I66 WeakPolarHBondContact O-CD1 3.32Å; G62-I66 PolarHBondContact O-N 2.95Å; I66-Y97 HydrophobicContact CB-CD1 3.67Å; I66-Y97 HydrophobicContact CB-CE1 3.85Å; I66-Y97 HydrophobicContact CB-CG 4.39Å; I66-Y97 HydrophobicContact CD1-CE1 3.97Å; I66-Y97 HydrophobicContact CG1-CE1 4.38Å; I66-Y97 HydrophobicContact CG2-CD1 3.75Å; I66-Y97 HydrophobicContact CG2-CD2 4.48Å; I66-Y97 HydrophobicContact CG2-CE1 4.08Å; I66-Y97 HydrophobicContact CG2-CG 3.97Å
67N93.2Very high93.3Very high126 Ų12658.4 Ų58.467%0.67431%0.313SS*.  trans-104123.1175.6-61.8-61.1000109
68G92.2Very high93Very high14 Ų1462 Ų6214%0.14433%0.334CS..  trans-68.6179.3170.500000113A70 Y97G68-A70 PolarHBondContact O-N 3.17Å; G68-Y97 VanDerWaalsContact CA-C 3.48Å; G68-Y97 PolarHBondContact N-O 3.37Å; G68-Y97 VanDerWaalsContact N-O 3.14Å
69S92.9Very high92.6Very high54 Ų5462.1 Ų62.138%0.37834%0.337SS..  trans-60.7119.9-179.3177.30000111.2K71 L72 I73 D95S69-K71 PolarHBondContact O-N 3.49Å; S69-K71 VanDerWaalsContact O-N 3.12Å; S69-L72 WeakPolarHBondContact O-CA 3.43Å; S69-L72 PolarHBondContact O-N 3.33Å; S69-I73 PolarHBondContact O-N 2.91Å; S69-D95 PolarHBondContact N-OD2 3.39Å
70A93.1Very high92.2Very high68 Ų6857 Ų5756%0.56231%0.31SS*.Hα-helixtrans-55.5-33.2178.800000112.7G68 L72 I73 D74G68-A70 PolarHBondContact O-N 3.17Å; A70-L72 VanDerWaalsContact C-N 3.35Å; A70-I73 PolarHBondContact O-N 3.24Å; A70-D74 WeakPolarHBondContact O-CB 3.34Å; A70-D74 PolarHBondContact O-N 2.95Å
71K92.4Very high91.6Very high179 Ų17959 Ų5978%0.77832%0.318SS*.Hα-helixtrans-65.4-35.3173.8-68.1-174.1176.2-174.40113.1S69 G75S69-K71 PolarHBondContact O-N 3.49Å; S69-K71 VanDerWaalsContact O-N 3.12Å; K71-G75 PolarHBondContact O-N 3.27Å
72L91.3Very high90.5Very high76 Ų7660.6 Ų60.640%0.39833%0.328SS..Hα-helixtrans-77.3-36.4176.1-63.5-179.5000110.8S69 A70 G75 F76 D95 A98S69-L72 WeakPolarHBondContact O-CA 3.43Å; S69-L72 PolarHBondContact O-N 3.33Å; A70-L72 VanDerWaalsContact C-N 3.35Å; L72-G75 PolarHBondContact O-N 2.71Å; L72-F76 HydrophobicContact CB-CD2 4.22Å; L72-F76 HydrophobicContact CB-CE2 3.99Å; L72-F76 WeakPolarHBondContact O-CB 3.47Å; L72-F76 WeakPolarHBondContact O-CD2 3.36Å; L72-F76 WeakPolarHBondContact O-CG 3.44Å; L72-F76 PolarHBondContact O-N 3Å; L72-D95 HydrophobicContact CD1-CB 3.74Å; L72-A98 HydrophobicContact CB-CB 3.74Å
73I92.4Very high89.3Confident26 Ų2662 Ų6213%0.13334%0.338CS..Hα-helixtrans-60.5-48.1172.7-62.6169.2000110.7S69 A70 G75 K77 A98 V102 L105S69-I73 PolarHBondContact O-N 2.91Å; A70-I73 PolarHBondContact O-N 3.24Å; I73-G75 VanDerWaalsContact C-N 3.33Å; I73-K77 VanDerWaalsContact O-CB 3.28Å; I73-K77 WeakPolarHBondContact O-CB 3.3Å; I73-K77 PolarHBondContact O-N 3.07Å; I73-A98 HydrophobicContact CG1-CB 3.93Å; I73-V102 HydrophobicContact CG2-CG2 4.15Å; I73-L105 HydrophobicContact CG2-CD2 3.93Å
74D90.8Very high87.7Confident101 Ų10163 Ų6354%0.5435%0.346SS..Hα-helixtrans-64.7-37.4174.9-71-26.6000111.5A70 T78A70-D74 WeakPolarHBondContact O-CB 3.34Å; A70-D74 PolarHBondContact O-N 2.95Å; D74-T78 PolarHBondContact O-N 3.49Å; D74-T78 PolarHBondContact O-OG1 3.03Å
75G89.1Confident85.7Confident33 Ų3365.2 Ų65.234%0.3436%0.364SS..Hα-helixtrans-62.3-59.4176.200000112.9K71 L72 I73 K77 T78 T79K71-G75 PolarHBondContact O-N 3.27Å; L72-G75 PolarHBondContact O-N 2.71Å; I73-G75 VanDerWaalsContact C-N 3.33Å; G75-K77 VanDerWaalsContact C-N 3.3Å; G75-K77 PolarHBondContact O-N 3.42Å; G75-T78 CarbonylContact O-C 3.6Å; G75-T78 WeakPolarHBondContact O-CA 3.5Å; G75-T78 VanDerWaalsContact O-CB 3.32Å; G75-T78 WeakPolarHBondContact O-CB 3.1Å; G75-T78 PolarHBondContact O-N 2.93Å; G75-T79 PolarHBondContact O-N 3.39Å; G75-T79 PolarHBondContact O-OG1 3.11Å
76F90Very high83.9Confident32 Ų3263.1 Ų63.114%0.1436%0.362CS..Hα-helixtrans-58.2-39.7176.6-70.3-53.9000112L72 T78 T79 F80 V94 A98 V102L72-F76 HydrophobicContact CB-CD2 4.22Å; L72-F76 HydrophobicContact CB-CE2 3.99Å; L72-F76 WeakPolarHBondContact O-CB 3.47Å; L72-F76 WeakPolarHBondContact O-CD2 3.36Å; L72-F76 WeakPolarHBondContact O-CG 3.44Å; L72-F76 PolarHBondContact O-N 3Å; F76-T78 VanDerWaalsContact C-N 3.28Å; F76-T78 PolarHBondContact O-N 2.63Å; F76-T79 WeakPolarHBondContact O-CB 3.01Å; F76-T79 PolarHBondContact O-N 3.49Å; F76-F80 HydrophobicContact CB-CD2 4.36Å; F76-F80 HydrophobicContact CB-CE2 4.04Å; F76-F80 WeakPolarHBondContact O-CD2 3.39Å; F76-F80 WeakPolarHBondContact O-CG 3.26Å; F76-F80 PolarHBondContact O-N 3.43Å; F76-V94 HydrophobicContact CE1-CG1 4.26Å; F76-V94 HydrophobicContact CE2-CG1 4.22Å; F76-V94 HydrophobicContact CZ-CG1 3.73Å; F76-A98 HydrophobicContact CD2-CB 4.07Å; F76-A98 HydrophobicContact CE2-CB 3.94Å; F76-V102 HydrophobicContact CB-CG2 3.77Å
77K90.4Very high82.3Confident35 Ų3563.6 Ų63.615%0.15237%0.366CS..Hα-helixtrans-57.2-42.9171.1170.7171.1171172.40111.6F26 I73 G75 F80 Q81 L105 E109F26-K77 HydrophobicContact CD1-CD 3.83Å; F26-K77 HydrophobicContact CD1-CG 4.01Å; F26-K77 HydrophobicContact CD2-CG 4.22Å; F26-K77 HydrophobicContact CE1-CD 4.2Å; F26-K77 HydrophobicContact CE1-CG 4.1Å; F26-K77 HydrophobicContact CE2-CG 4.32Å; F26-K77 HydrophobicContact CG-CD 4.15Å; F26-K77 HydrophobicContact CG-CG 4.07Å; F26-K77 HydrophobicContact CZ-CG 4.26Å; I73-K77 VanDerWaalsContact O-CB 3.28Å; I73-K77 WeakPolarHBondContact O-CB 3.3Å; I73-K77 PolarHBondContact O-N 3.07Å; G75-K77 VanDerWaalsContact C-N 3.3Å; G75-K77 PolarHBondContact O-N 3.42Å; K77-F80 PolarHBondContact O-N 2.88Å; K77-Q81 VanDerWaalsContact CE-OE1 3.3Å; K77-Q81 HydrophobicContact CG-CG 4.47Å; K77-Q81 WeakPolarHBondContact O-CG 3.08Å; K77-Q81 PolarHBondContact O-N 2.8Å; K77-L105 HydrophobicContact CD-CD2 3.73Å; K77-E109 IonicContact NZ-OE1 3.84Å; K77-E109 PolarHBondContact NZ-OE1 3.2Å; K77-E109 IonicContact NZ-OE2 2.98Å; K77-E109 PolarHBondContact NZ-OE2 3.46Å
78T86.6Confident81.1Confident74 Ų7458 Ų5845%0.45434%0.335SS..Hα-helixtrans-66-39.1177.8-50.50000111.3D74 G75 F76 Q81 I82D74-T78 PolarHBondContact O-N 3.49Å; D74-T78 PolarHBondContact O-OG1 3.03Å; G75-T78 CarbonylContact O-C 3.6Å; G75-T78 WeakPolarHBondContact O-CA 3.5Å; G75-T78 VanDerWaalsContact O-CB 3.32Å; G75-T78 WeakPolarHBondContact O-CB 3.1Å; G75-T78 PolarHBondContact O-N 2.93Å; F76-T78 VanDerWaalsContact C-N 3.28Å; F76-T78 PolarHBondContact O-N 2.63Å; T78-Q81 PolarHBondContact O-N 3.04Å; T78-I82 HydrophobicContact CG2-CD1 4.34Å; T78-I82 WeakPolarHBondContact O-CG1 3.4Å; T78-I82 PolarHBondContact O-N 2.73Å
79T85.2Confident79.6Confident54 Ų5460.9 Ų60.933%0.33135%0.353SS..Hα-helixtrans-57.4-55.4171.1-53.80000111.1G75 F76 Q81 I82 S83 D86G75-T79 PolarHBondContact O-N 3.39Å; G75-T79 PolarHBondContact O-OG1 3.11Å; F76-T79 WeakPolarHBondContact O-CB 3.01Å; F76-T79 PolarHBondContact O-N 3.49Å; T79-Q81 PolarHBondContact O-N 3.33Å; T79-I82 PolarHBondContact O-N 3.11Å; T79-S83 PolarHBondContact O-N 2.79Å; T79-D86 VanDerWaalsContact CG2-OD2 3.23Å; T79-D86 WeakPolarHBondContact CG2-OD2 3.48Å
80F85.2Confident78Confident3 Ų362.7 Ų62.71%0.01337%0.365CS..Hα-helixtrans-67.2-14.8-179.8-61.9-53.9000114.8N25 F26 I45 I49 F76 K77 S83 L88 L99 V102N25-F80 PolarHBondContact ND2-O 3.5Å; F26-F80 HydrophobicContact CE2-CB 3.73Å; F26-F80 HydrophobicContact CZ-CB 4.38Å; I45-F80 HydrophobicContact CD1-CB 4.23Å; I45-F80 HydrophobicContact CG1-CB 4.43Å; I45-F80 HydrophobicContact CG2-CB 4.25Å; I45-F80 HydrophobicContact CG2-CD1 4.35Å; I45-F80 HydrophobicContact CG2-CD2 4.42Å; I45-F80 HydrophobicContact CG2-CG 4.12Å; I49-F80 HydrophobicContact CD1-CD2 4.34Å; I49-F80 HydrophobicContact CD1-CE2 3.78Å; I49-F80 HydrophobicContact CD1-CZ 4.07Å; I49-F80 HydrophobicContact CG1-CE2 4.2Å; I49-F80 HydrophobicContact CG1-CZ 3.99Å; F76-F80 HydrophobicContact CB-CD2 4.36Å; F76-F80 HydrophobicContact CB-CE2 4.04Å; F76-F80 WeakPolarHBondContact O-CD2 3.39Å; F76-F80 WeakPolarHBondContact O-CG 3.26Å; F76-F80 PolarHBondContact O-N 3.43Å; K77-F80 PolarHBondContact O-N 2.88Å; F80-S83 WeakPolarHBondContact CA-O 3.45Å; F80-L88 HydrophobicContact CE1-CD1 4.34Å; F80-L88 HydrophobicContact CE1-CD2 4.25Å; F80-L88 HydrophobicContact CE1-CG 4.4Å; F80-L88 HydrophobicContact CZ-CD1 3.94Å; F80-L88 HydrophobicContact CZ-CD2 3.86Å; F80-L88 HydrophobicContact CZ-CG 4.24Å; F80-L99 HydrophobicContact CE2-CD1 4.13Å; F80-L99 HydrophobicContact CZ-CD1 4.06Å; F80-V102 HydrophobicContact CD2-CG1 3.92Å; F80-V102 HydrophobicContact CE2-CG1 4.02Å
81Q83Confident76.7Confident60 Ų6063.6 Ų63.628%0.2836%0.36SS..Hα-helixtrans-79.3-24.1168.8-79.3-177.3-89.900113D24 F26 K77 T78 T79D24-Q81 PolarHBondContact OD1-NE2 2.91Å; F26-Q81 HydrophobicContact CB-CG 4.33Å; F26-Q81 HydrophobicContact CD2-CG 3.88Å; F26-Q81 HydrophobicContact CG-CG 4.43Å; K77-Q81 VanDerWaalsContact CE-OE1 3.3Å; K77-Q81 HydrophobicContact CG-CG 4.47Å; K77-Q81 WeakPolarHBondContact O-CG 3.08Å; K77-Q81 PolarHBondContact O-N 2.8Å; T78-Q81 PolarHBondContact O-N 3.04Å; T79-Q81 PolarHBondContact O-N 3.33Å
82I72.8Confident75.4Confident145 Ų14563.2 Ų63.274%0.74436%0.361SS*.Hα-helixtrans-98-42.6179.9-62.3167.5000110.7T78 T79T78-I82 HydrophobicContact CG2-CD1 4.34Å; T78-I82 WeakPolarHBondContact O-CG1 3.4Å; T78-I82 PolarHBondContact O-N 2.73Å; T79-I82 PolarHBondContact O-N 3.11Å
83S68.8Low74.6Confident30 Ų3067 Ų6721%0.2138%0.382CS..  trans-131.2110.4178177.70000109.7T79 F80 A85 D86T79-S83 PolarHBondContact O-N 2.79Å; F80-S83 WeakPolarHBondContact CA-O 3.45Å; S83-A85 PolarHBondContact O-N 3.21Å; S83-A85 PolarHBondContact OG-N 3.19Å; S83-A85 VanDerWaalsContact OG-N 3.09Å; S83-D86 WeakPolarHBondContact CB-OD1 3.42Å; S83-D86 PolarHBondContact OG-N 3.4Å; S83-D86 PolarHBondContact OG-OD1 3.15Å
84A63.4Low74.2Confident20 Ų2066.4 Ų66.417%0.16538%0.38CS..THydrogen-bonded Turntrans-72.9-0.4163.800000112.4I45I45-A84 HydrophobicContact CD1-CB 3.96Å; I45-A84 HydrophobicContact CG1-CB 3.84Å
85A56Low74.2Confident48 Ų4863.6 Ų63.640%0.39736%0.364SS..THydrogen-bonded Turntrans-112.7-2.9-161.300000114.9R44 S83 D87R44-A85 PolarHBondContact NH2-O 3.47Å; S83-A85 PolarHBondContact O-N 3.21Å; S83-A85 PolarHBondContact OG-N 3.19Å; S83-A85 VanDerWaalsContact OG-N 3.09Å; A85-D87 PolarHBondContact O-N 3.37Å
86D58Low74.5Confident76 Ų7663.5 Ų63.541%0.40636%0.356SS..  trans-68.6102.4175.6-67.815.1000109.1T79 S83 L88T79-D86 VanDerWaalsContact CG2-OD2 3.23Å; T79-D86 WeakPolarHBondContact CG2-OD2 3.48Å; S83-D86 WeakPolarHBondContact CB-OD1 3.42Å; S83-D86 PolarHBondContact OG-N 3.4Å; S83-D86 PolarHBondContact OG-OD1 3.15Å; D86-L88 PolarHBondContact O-N 3.19Å
87D61Low74.8Confident82 Ų8265 Ų6544%0.43936%0.361SS..  trans-72.498.9177.8-71.9-38.1000109.8R44 N48 A85 C89 S90R44-D87 IonicContact CZ-OD1 2.7Å; R44-D87 IonicContact NE-OD1 3.83Å; R44-D87 IonicContact NH2-OD1 3.6Å; R44-D87 PolarHBondContact NH2-OD1 2.74Å; R44-D87 IonicContact NH2-OD2 3.75Å; R44-D87 PolarHBondContact NH2-OD2 2.99Å; N48-D87 PolarHBondContact ND2-OD1 3.11Å; A85-D87 PolarHBondContact O-N 3.37Å; D87-C89 PolarHBondContact O-N 2.77Å; D87-S90 WeakPolarHBondContact O-CB 3.42Å; D87-S90 PolarHBondContact O-N 2.87Å; D87-S90 PolarHBondContact O-OG 2.8Å
88L69.6Low74.9Confident7 Ų763.4 Ų63.44%0.03735%0.354CS..G310 helixtrans-49.9-27.9-175-67.1163000114N48 I49 Y52 F80 D86 S90 L91 L99N48-L88 HydrophobicContact CB-CD1 4.4Å; I49-L88 HydrophobicContact CG1-CD1 4.06Å; Y52-L88 HydrophobicContact CD2-CB 3.53Å; Y52-L88 HydrophobicContact CE2-CB 4.14Å; Y52-L88 WeakPolarHBondContact CE2-O 3.36Å; Y52-L88 HydrophobicContact CG-CB 4.01Å; F80-L88 HydrophobicContact CE1-CD1 4.34Å; F80-L88 HydrophobicContact CE1-CD2 4.25Å; F80-L88 HydrophobicContact CE1-CG 4.4Å; F80-L88 HydrophobicContact CZ-CD1 3.94Å; F80-L88 HydrophobicContact CZ-CD2 3.86Å; F80-L88 HydrophobicContact CZ-CG 4.24Å; D86-L88 PolarHBondContact O-N 3.19Å; L88-S90 PolarHBondContact O-N 3.18Å; L88-S90 VanDerWaalsContact O-N 3.13Å; L88-L91 PolarHBondContact O-N 3.47Å; L88-L99 HydrophobicContact CD1-CD1 3.95Å; L88-L99 HydrophobicContact CD1-CD2 4.03Å; L88-L99 HydrophobicContact CD2-CD1 4.18Å
89C60.4Low75.3Confident75 Ų7559.9 Ų59.951%0.50733%0.332SS..G310 helixtrans-60.2-17.4175.8-58.20000113.9D87D87-C89 PolarHBondContact O-N 2.77Å
90S59.3Low75.8Confident92 Ų9257.3 Ų57.364%0.64332%0.317SS*.G310 helixtrans-83.3-12.6171.764.30000114.2D87 L88D87-S90 WeakPolarHBondContact O-CB 3.42Å; D87-S90 PolarHBondContact O-N 2.87Å; D87-S90 PolarHBondContact O-OG 2.8Å; L88-S90 PolarHBondContact O-N 3.18Å; L88-S90 VanDerWaalsContact O-N 3.13Å
91L66.3Low76.3Confident88 Ų8857.5 Ų57.546%0.46132%0.319SS..  trans-97.6102.5175-95.665.3000110.2Y52 L88 V94Y52-L91 PolarHBondContact OH-O 2.95Å; L88-L91 PolarHBondContact O-N 3.47Å; L91-V94 HydrophobicContact CB-CG2 3.69Å; L91-V94 HydrophobicContact CD2-CG2 4.34Å
92E64.1Low76.9Confident170 Ų17054.6 Ų54.679%0.79431%0.306SS*.THydrogen-bonded Turntrans-62.5144.2160.3-60.2-173.1161.900110.3
93N73.8Confident77.9Confident155 Ų15547.8 Ų47.883%0.82927%0.271SS*.THydrogen-bonded Turntrans70.533.7172.3-48.3-78.1000117.3
94V84.6Confident79.2Confident15 Ų1547.4 Ų47.49%0.09127%0.266CS..  trans-65.8136.8168-179.20000112Y52 F76 L91 I96 L99Y52-V94 HydrophobicContact CE1-CB 3.89Å; Y52-V94 HydrophobicContact CE1-CG1 4.32Å; Y52-V94 HydrophobicContact CE1-CG2 4.34Å; Y52-V94 HydrophobicContact CE2-CG2 4.3Å; Y52-V94 WeakPolarHBondContact OH-CB 3.19Å; F76-V94 HydrophobicContact CE1-CG1 4.26Å; F76-V94 HydrophobicContact CE2-CG1 4.22Å; F76-V94 HydrophobicContact CZ-CG1 3.73Å; L91-V94 HydrophobicContact CB-CG2 3.69Å; L91-V94 HydrophobicContact CD2-CG2 4.34Å; V94-I96 PolarHBondContact O-N 2.98Å; V94-L99 HydrophobicContact CG1-CB 4.29Å; V94-L99 HydrophobicContact CG1-CD1 4.37Å; V94-L99 HydrophobicContact CG1-CD2 4.41Å
95D91.3Very high80.7Confident41 Ų4147 Ų4722%0.21926%0.261CS..  trans-67.1100170.1175.4-1.3000110.5S69 L72 Y97 A98 L99S69-D95 PolarHBondContact N-OD2 3.39Å; L72-D95 HydrophobicContact CD1-CB 3.74Å; D95-Y97 PolarHBondContact O-N 3Å; D95-Y97 WeakPolarHBondContact OD1-CA 3.12Å; D95-Y97 WeakPolarHBondContact OD1-CB 3.37Å; D95-Y97 PolarHBondContact OD1-N 3.33Å; D95-A98 HydrophobicContact CB-CB 3.82Å; D95-A98 VanDerWaalsContact CG-CB 3.48Å; D95-A98 WeakPolarHBondContact O-CB 3.33Å; D95-A98 PolarHBondContact O-N 2.9Å; D95-A98 PolarHBondContact OD1-N 3.14Å; D95-A98 WeakPolarHBondContact OD2-CB 3.38Å; D95-L99 PolarHBondContact O-N 2.91Å
96I94.2Very high82.5Confident32 Ų3244.9 Ų44.916%0.16424%0.243CC..Hα-helixtrans-53.6-39178.5-62.3167000111.7L53 Y56 S60 I63 V94 L99 A100L53-I96 HydrophobicContact CD2-CG2 3.77Å; Y56-I96 WeakPolarHBondContact O-CD1 3.44Å; S60-I96 WeakPolarHBondContact OG-CD1 3.28Å; I63-I96 HydrophobicContact CD1-CG2 4.16Å; V94-I96 PolarHBondContact O-N 2.98Å; I96-L99 PolarHBondContact O-N 3.45Å; I96-A100 WeakPolarHBondContact O-CB 3.44Å; I96-A100 PolarHBondContact O-N 3.19Å
97Y96.2Very high84.3Confident64 Ų6441.3 Ų41.325%0.25122%0.223SC..Hα-helixtrans-75.9-26.5-179.8-56.4-72000112.3Q61 I66 G68 D95 G101Q61-Y97 PolarHBondContact O-OH 3.28Å; I66-Y97 HydrophobicContact CB-CD1 3.67Å; I66-Y97 HydrophobicContact CB-CE1 3.85Å; I66-Y97 HydrophobicContact CB-CG 4.39Å; I66-Y97 HydrophobicContact CD1-CE1 3.97Å; I66-Y97 HydrophobicContact CG1-CE1 4.38Å; I66-Y97 HydrophobicContact CG2-CD1 3.75Å; I66-Y97 HydrophobicContact CG2-CD2 4.48Å; I66-Y97 HydrophobicContact CG2-CE1 4.08Å; I66-Y97 HydrophobicContact CG2-CG 3.97Å; G68-Y97 VanDerWaalsContact CA-C 3.48Å; G68-Y97 PolarHBondContact N-O 3.37Å; G68-Y97 VanDerWaalsContact N-O 3.14Å; D95-Y97 PolarHBondContact O-N 3Å; D95-Y97 WeakPolarHBondContact OD1-CA 3.12Å; D95-Y97 WeakPolarHBondContact OD1-CB 3.37Å; D95-Y97 PolarHBondContact OD1-N 3.33Å; Y97-G101 PolarHBondContact O-N 2.85Å; Y97-G101 VanDerWaalsContact O-N 3.13Å
98A94.4Very high85.8Confident0 Ų040.5 Ų40.50%021%0.214CC..Hα-helixtrans-74.2-44.9170.500000110.7L72 I73 F76 D95 A100 G101 V102L72-A98 HydrophobicContact CB-CB 3.74Å; I73-A98 HydrophobicContact CG1-CB 3.93Å; F76-A98 HydrophobicContact CD2-CB 4.07Å; F76-A98 HydrophobicContact CE2-CB 3.94Å; D95-A98 HydrophobicContact CB-CB 3.82Å; D95-A98 VanDerWaalsContact CG-CB 3.48Å; D95-A98 WeakPolarHBondContact O-CB 3.33Å; D95-A98 PolarHBondContact O-N 2.9Å; D95-A98 PolarHBondContact OD1-N 3.14Å; D95-A98 WeakPolarHBondContact OD2-CB 3.38Å; A98-A100 PolarHBondContact O-N 2.97Å; A98-G101 CarbonylContact O-C 3.54Å; A98-G101 WeakPolarHBondContact O-CA 3.33Å; A98-G101 PolarHBondContact O-N 2.74Å; A98-V102 WeakPolarHBondContact O-CG2 3.34Å; A98-V102 PolarHBondContact O-N 3.05Å
99L93.5Very high86.9Confident0 Ų041.9 Ų41.90%022%0.221CC..Hα-helixtrans-62.5-43.9177.9-16175.1000111.8I49 Y52 L53 F80 L88 V94 D95 I96 G101 V102 L103I49-L99 HydrophobicContact CG1-CD1 4.05Å; I49-L99 HydrophobicContact CG1-CG 4.25Å; I49-L99 HydrophobicContact CG2-CD2 4.27Å; I49-L99 HydrophobicContact CG2-CG 3.95Å; Y52-L99 HydrophobicContact CD1-CD2 3.5Å; Y52-L99 VanDerWaalsContact CD1-CD2 3.5Å; Y52-L99 HydrophobicContact CE1-CD2 4.26Å; Y52-L99 HydrophobicContact CG-CD2 4.04Å; L53-L99 HydrophobicContact CD2-CB 4.36Å; L53-L99 HydrophobicContact CD2-CD2 4.07Å; L53-L99 HydrophobicContact CG-CD2 4.1Å; F80-L99 HydrophobicContact CE2-CD1 4.13Å; F80-L99 HydrophobicContact CZ-CD1 4.06Å; L88-L99 HydrophobicContact CD1-CD1 3.95Å; L88-L99 HydrophobicContact CD1-CD2 4.03Å; L88-L99 HydrophobicContact CD2-CD1 4.18Å; V94-L99 HydrophobicContact CG1-CB 4.29Å; V94-L99 HydrophobicContact CG1-CD1 4.37Å; V94-L99 HydrophobicContact CG1-CD2 4.41Å; D95-L99 PolarHBondContact O-N 2.91Å; I96-L99 PolarHBondContact O-N 3.45Å; L99-G101 PolarHBondContact O-N 3.42Å; L99-V102 WeakPolarHBondContact O-CB 3.38Å; L99-V102 PolarHBondContact O-N 3.44Å; L99-L103 PolarHBondContact O-N 2.88Å; L99-L103 VanDerWaalsContact O-N 3.14Å
100A96.1Very high88.4Confident0 Ų038.5 Ų38.50%020%0.197CC..Hα-helixtrans-61.1-26.5168.900000113.1L53 I63 F64 I96 A98 K104L53-A100 HydrophobicContact CD1-CB 4.17Å; L53-A100 HydrophobicContact CD2-CB 4.48Å; I63-A100 HydrophobicContact CG1-CB 4.26Å; F64-A100 HydrophobicContact CD1-CB 3.67Å; F64-A100 WeakPolarHBondContact CD1-O 3.36Å; F64-A100 HydrophobicContact CE1-CB 3.58Å; F64-A100 HydrophobicContact CG-CB 4.38Å; F64-A100 HydrophobicContact CZ-CB 4.26Å; I96-A100 WeakPolarHBondContact O-CB 3.44Å; I96-A100 PolarHBondContact O-N 3.19Å; A98-A100 PolarHBondContact O-N 2.97Å; A100-K104 WeakPolarHBondContact O-CE 3.43Å; A100-K104 WeakPolarHBondContact O-CG 3.28Å
101G95.8Very high89.8Confident7 Ų736.6 Ų36.67%0.07218%0.183CC..Hα-helixtrans-70.2-40.2169.900000113.4Y97 A98 L99 K104 L105Y97-G101 PolarHBondContact O-N 2.85Å; Y97-G101 VanDerWaalsContact O-N 3.13Å; A98-G101 CarbonylContact O-C 3.54Å; A98-G101 WeakPolarHBondContact O-CA 3.33Å; A98-G101 PolarHBondContact O-N 2.74Å; L99-G101 PolarHBondContact O-N 3.42Å; G101-K104 PolarHBondContact O-N 3.13Å; G101-L105 WeakPolarHBondContact O-CB 3.4Å; G101-L105 PolarHBondContact O-N 2.91Å
102V94.5Very high90.6Very high0 Ų037.5 Ų37.50%019%0.188CC..Hα-helixtrans-65.3-43.5177.6177.90000111.4F26 I49 I73 F76 F80 A98 L99 K104 L105 F106F26-V102 HydrophobicContact CE1-CG1 4.15Å; F26-V102 HydrophobicContact CZ-CG1 3.76Å; I49-V102 HydrophobicContact CD1-CB 4.38Å; I49-V102 HydrophobicContact CD1-CG1 3.86Å; I73-V102 HydrophobicContact CG2-CG2 4.15Å; F76-V102 HydrophobicContact CB-CG2 3.77Å; F80-V102 HydrophobicContact CD2-CG1 3.92Å; F80-V102 HydrophobicContact CE2-CG1 4.02Å; A98-V102 WeakPolarHBondContact O-CG2 3.34Å; A98-V102 PolarHBondContact O-N 3.05Å; L99-V102 WeakPolarHBondContact O-CB 3.38Å; L99-V102 PolarHBondContact O-N 3.44Å; V102-K104 PolarHBondContact O-N 3.44Å; V102-L105 WeakPolarHBondContact O-CA 3.45Å; V102-L105 WeakPolarHBondContact O-CB 3.33Å; V102-L105 PolarHBondContact O-N 3.49Å; V102-F106 PolarHBondContact O-N 3.03Å
103L95.5Very high91.9Very high1 Ų129.6 Ų29.61%0.00515%0.152CC..Hα-helixtrans-59.1-46.3176.7-176.160.9000112V46 I49 F64 L99 L105 F106 L107 F162V46-L103 HydrophobicContact CG1-CD1 4.08Å; I49-L103 HydrophobicContact CG2-CB 3.96Å; I49-L103 HydrophobicContact CG2-CD2 4.46Å; F64-L103 HydrophobicContact CE1-CB 4.45Å; F64-L103 HydrophobicContact CE1-CD2 3.95Å; F64-L103 HydrophobicContact CZ-CD2 4Å; L99-L103 PolarHBondContact O-N 2.88Å; L99-L103 VanDerWaalsContact O-N 3.14Å; L103-L105 PolarHBondContact O-N 3.5Å; L103-F106 PolarHBondContact O-N 3.5Å; L103-L107 WeakPolarHBondContact O-CG 3.27Å; L103-L107 PolarHBondContact O-N 3.4Å; L103-F162 HydrophobicContact CD2-CE1 4Å
104K95.9Very high92.9Very high23 Ų2322.2 Ų22.210%0.111%0.113CC..Hα-helixtrans-62.7-30173.7-70.1-179.4-66.5175.30112.8F64 A100 G101 V102 R108 I183 F184F64-K104 HydrophobicContact CB-CD 4.42Å; F64-K104 HydrophobicContact CD1-CD 4.16Å; F64-K104 HydrophobicContact CD1-CG 4.11Å; F64-K104 PolarHBondContact O-NZ 2.94Å; A100-K104 WeakPolarHBondContact O-CE 3.43Å; A100-K104 WeakPolarHBondContact O-CG 3.28Å; G101-K104 PolarHBondContact O-N 3.13Å; V102-K104 PolarHBondContact O-N 3.44Å; K104-R108 WeakPolarHBondContact O-CB 3.06Å; K104-R108 PolarHBondContact O-N 2.99Å; K104-I183 HydrophobicContact CD-CG2 3.9Å; K104-F184 HydrophobicContact CG-CE1 4.31Å; K104-F184 HydrophobicContact CG-CZ 4.18Å
105L93.9Very high93.3Very high11 Ų1121.5 Ų21.56%0.05811%0.108CC..Hα-helixtrans-73.7-47.5178.2-175.861.6000111.4S11 I73 K77 G101 V102 L103 R108 E109S11-L105 WeakPolarHBondContact OG-CD1 3.18Å; I73-L105 HydrophobicContact CG2-CD2 3.93Å; K77-L105 HydrophobicContact CD-CD2 3.73Å; G101-L105 WeakPolarHBondContact O-CB 3.4Å; G101-L105 PolarHBondContact O-N 2.91Å; V102-L105 WeakPolarHBondContact O-CA 3.45Å; V102-L105 WeakPolarHBondContact O-CB 3.33Å; V102-L105 PolarHBondContact O-N 3.49Å; L103-L105 PolarHBondContact O-N 3.5Å; L105-R108 PolarHBondContact O-N 3.29Å; L105-E109 HydrophobicContact CD1-CG 4.07Å; L105-E109 HydrophobicContact CG-CG 4.48Å; L105-E109 WeakPolarHBondContact O-CB 3.44Å; L105-E109 WeakPolarHBondContact O-CG 3.45Å; L105-E109 PolarHBondContact O-N 2.84Å
106F94.4Very high93.3Very high4 Ų421.5 Ų21.52%0.01811%0.111CC..Hα-helixtrans-52.7-57.4177178.1-94.4000111.3F26 L33 P43 V46 V102 L103 R108 E109 L110 L155F26-F106 HydrophobicContact CD1-CB 4.42Å; F26-F106 HydrophobicContact CD1-CD2 4.28Å; F26-F106 HydrophobicContact CE1-CB 3.83Å; F26-F106 HydrophobicContact CE1-CD2 4.09Å; F26-F106 HydrophobicContact CE1-CG 4.49Å; F26-F106 HydrophobicContact CE2-CD2 4.5Å; F26-F106 HydrophobicContact CZ-CB 4.37Å; F26-F106 HydrophobicContact CZ-CD2 4.2Å; L33-F106 HydrophobicContact CD1-CE2 3.81Å; L33-F106 HydrophobicContact CD1-CZ 3.72Å; P43-F106 HydrophobicContact CG-CZ 4.43Å; V46-F106 HydrophobicContact CG2-CD1 3.7Å; V46-F106 HydrophobicContact CG2-CE1 3.38Å; V46-F106 HydrophobicContact CG2-CZ 3.97Å; V102-F106 PolarHBondContact O-N 3.03Å; L103-F106 PolarHBondContact O-N 3.5Å; F106-R108 VanDerWaalsContact C-N 3.3Å; F106-R108 PolarHBondContact O-N 3.24Å; F106-E109 PolarHBondContact O-N 2.85Å; F106-E109 VanDerWaalsContact O-N 3.08Å; F106-L110 HydrophobicContact CE1-CD2 4.43Å; F106-L110 HydrophobicContact CZ-CD2 4.46Å; F106-L110 PolarHBondContact O-N 2.58Å; F106-L155 HydrophobicContact CE1-CD2 4.48Å
107L95.1Very high93.1Very high1 Ų122.6 Ų22.61%0.00512%0.115CC..Hα-helixtrans-55.9-41.5-179-66.2172.1000113L103 L114 L155 L159 F184 C187L103-L107 WeakPolarHBondContact O-CG 3.27Å; L103-L107 PolarHBondContact O-N 3.4Å; L107-L114 HydrophobicContact CD2-CD2 4.07Å; L107-L155 HydrophobicContact CD2-CD2 4.44Å; L107-L159 HydrophobicContact CD1-CD1 4.19Å; L107-L159 HydrophobicContact CD1-CD2 3.69Å; L107-L159 HydrophobicContact CD2-CD2 4.3Å; L107-F184 HydrophobicContact CD1-CD1 4.06Å; L107-F184 HydrophobicContact CD1-CE1 3.91Å; L107-C187 HydrophobicContact CB-CB 4.48Å
108R92.8Very high92.7Very high64 Ų6428.4 Ų28.424%0.24214%0.142CC..Hα-helixtrans-73.8-27.7-179.1-177.6177.257.4179.6-8.8113.1I8 K104 L105 F106 R190I8-R108 PolarHBondContact O-NH1 2.91Å; K104-R108 WeakPolarHBondContact O-CB 3.06Å; K104-R108 PolarHBondContact O-N 2.99Å; L105-R108 PolarHBondContact O-N 3.29Å; F106-R108 VanDerWaalsContact C-N 3.3Å; F106-R108 PolarHBondContact O-N 3.24Å; R108-R190 PolarHBondContact O-NH1 2.84Å
109E92.4Very high92.6Very high37 Ų3729 Ų2917%0.17315%0.145CC..Hα-helixtrans-83.9-17.1-179-74.1-171.515900114S11 G27 K77 L105 F106S11-E109 VanDerWaalsContact CB-OE1 3.29Å; S11-E109 WeakPolarHBondContact CB-OE1 3.47Å; S11-E109 PolarHBondContact OG-OE1 3.47Å; G27-E109 WeakPolarHBondContact CA-O 3.37Å; K77-E109 IonicContact NZ-OE1 3.84Å; K77-E109 PolarHBondContact NZ-OE1 3.2Å; K77-E109 IonicContact NZ-OE2 2.98Å; K77-E109 PolarHBondContact NZ-OE2 3.46Å; L105-E109 HydrophobicContact CD1-CG 4.07Å; L105-E109 HydrophobicContact CG-CG 4.48Å; L105-E109 WeakPolarHBondContact O-CB 3.44Å; L105-E109 WeakPolarHBondContact O-CG 3.45Å; L105-E109 PolarHBondContact O-N 2.84Å; F106-E109 PolarHBondContact O-N 2.85Å; F106-E109 VanDerWaalsContact O-N 3.08Å
110L92.2Very high92.4Very high4 Ų429.1 Ų29.12%0.02115%0.146CC..SBendtrans-45.5136.2168-66.3175.2000111L30 F106 D112 G113 L114 R190L30-L110 HydrophobicContact CB-CD2 4.47Å; F106-L110 HydrophobicContact CE1-CD2 4.43Å; F106-L110 HydrophobicContact CZ-CD2 4.46Å; F106-L110 PolarHBondContact O-N 2.58Å; L110-D112 PolarHBondContact O-N 2.88Å; L110-G113 PolarHBondContact O-N 2.85Å; L110-L114 HydrophobicContact CD1-CB 4.35Å; L110-R190 PolarHBondContact O-NH1 3.26Å; L110-R190 PolarHBondContact O-NH2 3.43Å
111P88.2Confident92.2Very high52 Ų5233.3 Ų33.334%0.33817%0.168SC..SBendtrans-62.7-41.3-168.320.5-31.3000113.1P29 R190P29-P111 HydrophobicContact CB-CG 4.15Å; P29-P111 HydrophobicContact CG-CG 3.95Å; P111-R190 PolarHBondContact O-NH2 3.16Å
112D84.7Confident91.9Very high106 Ų10638.1 Ų38.157%0.56719%0.187SC*.SBendtrans-103.71.4179.9-57.6-66.4000113.4L110 P116 R190L110-D112 PolarHBondContact O-N 2.88Å; D112-P116 HydrophobicContact CB-CG 4.44Å; D112-R190 WeakPolarHBondContact O-CB 3.43Å; D112-R190 VanDerWaalsContact O-CG 3.26Å; D112-R190 WeakPolarHBondContact O-CG 2.82Å
113G90.3Very high91.9Very high4 Ų438.1 Ų38.14%0.04119%0.187CC..  trans74.6177.2-165.100000112.5L110L110-G113 PolarHBondContact O-N 2.85Å
114L94Very high91.7Very high0 Ų038.5 Ų38.50%019%0.189CC..SBendtrans-77.9-40.5176.2-177.955.9000111.2L30 L107 L110 N152 L155 L156 L159 V188L30-L114 HydrophobicContact CD2-CD1 4.28Å; L107-L114 HydrophobicContact CD2-CD2 4.07Å; L110-L114 HydrophobicContact CD1-CB 4.35Å; L114-N152 HydrophobicContact CD1-CB 4.11Å; L114-N152 WeakPolarHBondContact CD1-O 3.43Å; L114-N152 PolarHBondContact O-ND2 3.39Å; L114-L155 HydrophobicContact CD1-CB 4.06Å; L114-L155 HydrophobicContact CD1-CD2 3.83Å; L114-L155 HydrophobicContact CD1-CG 3.9Å; L114-L155 HydrophobicContact CD2-CG 4.19Å; L114-L156 HydrophobicContact CD2-CB 4.1Å; L114-L156 HydrophobicContact CD2-CD1 3.95Å; L114-L156 HydrophobicContact CG-CB 4.3Å; L114-L156 HydrophobicContact CG-CD1 4.44Å; L114-L159 HydrophobicContact CD2-CD2 3.99Å; L114-V188 HydrophobicContact CB-CG1 4.25Å; L114-V188 HydrophobicContact CD2-CG1 4.3Å; L114-V188 HydrophobicContact CD2-CG2 4.41Å; L114-V188 HydrophobicContact CG-CG1 4.45Å; L114-V188 PolarHBondContact N-O 2.94Å
115V94Very high91.5Very high0 Ų043.2 Ų43.20%021%0.209CC..BIsolated β-bridgetrans-108.7108.4166.6179.30000108.6L119 L148 L156 V188 F189 R190V115-L119 HydrophobicContact CG1-CB 4.13Å; V115-L119 HydrophobicContact CG1-CD2 4.34Å; V115-L119 HydrophobicContact CG1-CG 4.43Å; V115-L148 HydrophobicContact CG2-CD2 4.37Å; V115-L156 HydrophobicContact CG2-CD1 4.5Å; V115-L156 HydrophobicContact CG2-CD2 3.84Å; V115-V188 HydrophobicContact CB-CG1 4.47Å; V115-V188 HydrophobicContact CG2-CG1 3.83Å; V115-V188 PolarHBondContact N-O 2.8Å; V115-F189 HydrophobicContact CB-CD1 3.82Å; V115-F189 HydrophobicContact CB-CE1 4.04Å; V115-F189 HydrophobicContact CB-CG 4.34Å; V115-F189 HydrophobicContact CG1-CD1 3.68Å; V115-F189 HydrophobicContact CG1-CE1 3.73Å; V115-F189 HydrophobicContact CG2-CD1 4.38Å; V115-F189 HydrophobicContact CG2-CE1 4.17Å; V115-F189 HydrophobicContact CG2-CZ 4.42Å; V115-R190 PolarHBondContact O-N 3.19Å
116P91.9Very high91.4Very high42 Ų4243.2 Ų43.227%0.27321%0.21SC..  trans-59.9150.1177.7-2635.7000112.8D112 K118 L119 G120 L148D112-P116 HydrophobicContact CB-CG 4.44Å; P116-K118 PolarHBondContact O-N 2.9Å; P116-L119 WeakPolarHBondContact O-CA 3.19Å; P116-L119 WeakPolarHBondContact O-CB 3.32Å; P116-L119 PolarHBondContact O-N 3.48Å; P116-G120 PolarHBondContact O-N 2.89Å; P116-L148 VanDerWaalsContact CD-CD1 3.49Å; P116-L148 HydrophobicContact CG-CD1 4.34Å
117E89Confident91.3Very high55 Ų5543 Ų4326%0.25721%0.209SC..Hα-helixtrans-57-43.9-171.5172.7169.4-128.700113.7L119 G120 L121 R190 S192E117-L119 PolarHBondContact O-N 3.36Å; E117-L119 VanDerWaalsContact O-N 3.1Å; E117-G120 PolarHBondContact O-N 3.29Å; E117-G120 VanDerWaalsContact O-N 3.13Å; E117-L121 HydrophobicContact CG-CD1 3.94Å; E117-L121 HydrophobicContact CG-CG 4.18Å; E117-L121 WeakPolarHBondContact O-CG 3.32Å; E117-L121 PolarHBondContact O-N 3.48Å; E117-R190 WeakPolarHBondContact CA-O 3.46Å; E117-R190 HydrophobicContact CB-CB 4.45Å; E117-R190 WeakPolarHBondContact CB-O 3.38Å; E117-S192 VanDerWaalsContact CD-N 3.33Å; E117-S192 WeakPolarHBondContact OE1-CA 3.29Å; E117-S192 VanDerWaalsContact OE1-CB 3.24Å; E117-S192 WeakPolarHBondContact OE1-CB 3.45Å; E117-S192 PolarHBondContact OE1-N 2.98Å; E117-S192 WeakPolarHBondContact OE2-CB 3.37Å; E117-S192 PolarHBondContact OE2-OG 2.91Å
118K88.5Confident91.1Very high185 Ų18548.7 Ų48.780%0.80423%0.234SC*.Hα-helixtrans-53.3-33.8177.2-69-176178.7-179.70111.6P116P116-K118 PolarHBondContact O-N 2.9Å
119L90.9Very high91Very high12 Ų1250.5 Ų50.56%0.06325%0.245CC..Hα-helixtrans-85.1-42.3178.1-160.866.9000112.3V115 P116 E117 L121 K122 C123 V144 T147 L148V115-L119 HydrophobicContact CG1-CB 4.13Å; V115-L119 HydrophobicContact CG1-CD2 4.34Å; V115-L119 HydrophobicContact CG1-CG 4.43Å; P116-L119 WeakPolarHBondContact O-CA 3.19Å; P116-L119 WeakPolarHBondContact O-CB 3.32Å; P116-L119 PolarHBondContact O-N 3.48Å; E117-L119 PolarHBondContact O-N 3.36Å; E117-L119 VanDerWaalsContact O-N 3.1Å; L119-L121 PolarHBondContact O-N 3.15Å; L119-K122 HydrophobicContact CD1-CD 4.2Å; L119-K122 WeakPolarHBondContact O-CA 3.5Å; L119-K122 WeakPolarHBondContact O-CB 3.41Å; L119-K122 PolarHBondContact O-N 3.05Å; L119-C123 PolarHBondContact O-N 3.29Å; L119-C123 PolarHBondContact O-SG 3.02Å; L119-C123 VanDerWaalsContact O-SG 3.39Å; L119-V144 HydrophobicContact CD1-CG1 3.54Å; L119-V144 WeakPolarHBondContact CD1-O 3.48Å; L119-V144 HydrophobicContact CG-CG1 3.94Å; L119-T147 WeakPolarHBondContact CD1-OG1 3.43Å; L119-L148 HydrophobicContact CD2-CB 3.74Å; L119-L148 HydrophobicContact CD2-CD1 3.88Å; L119-L148 HydrophobicContact CD2-CG 4.27Å
120G91.2Very high90.9Very high3 Ų352.4 Ų52.43%0.03125%0.251CS..Hα-helixtrans-54.2-39.1173.300000112.7P116 E117 C123 I124P116-G120 PolarHBondContact O-N 2.89Å; E117-G120 PolarHBondContact O-N 3.29Å; E117-G120 VanDerWaalsContact O-N 3.13Å; G120-C123 PolarHBondContact O-N 2.87Å; G120-I124 WeakPolarHBondContact O-CB 3.36Å; G120-I124 WeakPolarHBondContact O-CD1 3.47Å; G120-I124 VanDerWaalsContact O-CG1 3.23Å; G120-I124 WeakPolarHBondContact O-CG1 3.42Å; G120-I124 PolarHBondContact O-N 2.72Å
121L89.9Confident90.6Very high88 Ų8854.8 Ų54.846%0.46127%0.268SS..Hα-helixtrans-65.5-35.5173.9-69.1173.5000113.2E117 L119 I124 K125E117-L121 HydrophobicContact CG-CD1 3.94Å; E117-L121 HydrophobicContact CG-CG 4.18Å; E117-L121 WeakPolarHBondContact O-CG 3.32Å; E117-L121 PolarHBondContact O-N 3.48Å; L119-L121 PolarHBondContact O-N 3.15Å; L121-I124 HydrophobicContact CD2-CD1 4.45Å; L121-I124 PolarHBondContact O-N 3.21Å; L121-K125 PolarHBondContact O-N 3.43Å
122K91.5Very high90.5Very high109 Ų10958.4 Ų58.447%0.47429%0.294SS..Hα-helixtrans-65.8-44.4170.6-67.6-172.2-169.51750111.1L119 I124 K125 V126 V144L119-K122 HydrophobicContact CD1-CD 4.2Å; L119-K122 WeakPolarHBondContact O-CA 3.5Å; L119-K122 WeakPolarHBondContact O-CB 3.41Å; L119-K122 PolarHBondContact O-N 3.05Å; K122-I124 VanDerWaalsContact C-N 3.3Å; K122-I124 PolarHBondContact O-N 3.24Å; K122-K125 WeakPolarHBondContact O-CB 3.46Å; K122-K125 PolarHBondContact O-N 2.95Å; K122-K125 VanDerWaalsContact O-N 3.08Å; K122-V126 PolarHBondContact O-N 3.45Å; K122-V144 HydrophobicContact CB-CG1 3.59Å; K122-V144 HydrophobicContact CB-CG2 4.12Å; K122-V144 HydrophobicContact CD-CG1 4.32Å
123C92.7Very high90.8Very high0 Ų056.8 Ų56.80%029%0.286CS..Hα-helixtrans-60.8-39175.6-56.90000111.9L119 G120 K125 V126 A127 L141 V144 F189 I207L119-C123 PolarHBondContact O-N 3.29Å; L119-C123 PolarHBondContact O-SG 3.02Å; L119-C123 VanDerWaalsContact O-SG 3.39Å; G120-C123 PolarHBondContact O-N 2.87Å; C123-K125 VanDerWaalsContact C-N 3.35Å; C123-V126 PolarHBondContact O-N 3.11Å; C123-A127 WeakPolarHBondContact O-CB 3.08Å; C123-A127 PolarHBondContact O-N 3.33Å; C123-L141 HydrophobicContact CB-CD1 3.93Å; C123-V144 WeakPolarHBondContact SG-CG1 3.26Å; C123-F189 HydrophobicContact CB-CE1 4.42Å; C123-I207 HydrophobicContact CB-CD1 4Å; C123-I207 HydrophobicContact CB-CG2 4.34Å; C123-I207 WeakPolarHBondContact O-CD1 3.43Å
124I91.8Very high90.7Very high9 Ų960.1 Ų60.15%0.04630%0.302CS..Hα-helixtrans-66.7-33.5174.4-69.6158000111.9G120 L121 K122 K128 N200 L203 I207G120-I124 WeakPolarHBondContact O-CB 3.36Å; G120-I124 WeakPolarHBondContact O-CD1 3.47Å; G120-I124 VanDerWaalsContact O-CG1 3.23Å; G120-I124 WeakPolarHBondContact O-CG1 3.42Å; G120-I124 PolarHBondContact O-N 2.72Å; L121-I124 HydrophobicContact CD2-CD1 4.45Å; L121-I124 PolarHBondContact O-N 3.21Å; K122-I124 VanDerWaalsContact C-N 3.3Å; K122-I124 PolarHBondContact O-N 3.24Å; I124-K128 HydrophobicContact CG2-CD 4.28Å; I124-K128 VanDerWaalsContact O-CG 3.3Å; I124-K128 WeakPolarHBondContact O-CG 3.35Å; I124-K128 PolarHBondContact O-N 3.13Å; I124-K128 VanDerWaalsContact O-N 3.16Å; I124-N200 HydrophobicContact CD1-CB 4Å; I124-N200 HydrophobicContact CG2-CB 4.31Å; I124-L203 HydrophobicContact CG2-CD1 4.29Å; I124-I207 HydrophobicContact CG1-CD1 3.9Å
125K91.5Very high90.5Very high121 Ų12164 Ų6453%0.52633%0.329SS..Hα-helixtrans-65.3-51.3171.6-175-176.7174.3-173.40110.4L121 K122 C123 A127 K128 E129L121-K125 PolarHBondContact O-N 3.43Å; K122-K125 WeakPolarHBondContact O-CB 3.46Å; K122-K125 PolarHBondContact O-N 2.95Å; K122-K125 VanDerWaalsContact O-N 3.08Å; C123-K125 VanDerWaalsContact C-N 3.35Å; K125-A127 VanDerWaalsContact C-N 3.32Å; K125-A127 PolarHBondContact O-N 3.07Å; K125-K128 PolarHBondContact O-N 3.22Å; K125-E129 WeakPolarHBondContact CE-OE1 3.36Å; K125-E129 VanDerWaalsContact CE-OE2 3.22Å; K125-E129 WeakPolarHBondContact CE-OE2 3.47Å; K125-E129 HydrophobicContact CG-CG 4.49Å; K125-E129 WeakPolarHBondContact CG-OE1 3.46Å; K125-E129 IonicContact NZ-OE1 2.93Å; K125-E129 PolarHBondContact O-N 2.7Å
126V92.5Very high90.3Very high12 Ų1266.2 Ų66.27%0.07334%0.343CS..Hα-helixtrans-56.1-44.3176.8169.10000111.7K122 C123 K128 E129 Y130 Y137 K140 L141 V144K122-V126 PolarHBondContact O-N 3.45Å; C123-V126 PolarHBondContact O-N 3.11Å; V126-K128 VanDerWaalsContact C-N 3.33Å; V126-K128 PolarHBondContact O-N 3.42Å; V126-E129 PolarHBondContact O-N 3.1Å; V126-Y130 HydrophobicContact CG1-CD2 4.15Å; V126-Y130 WeakPolarHBondContact O-CD2 3.45Å; V126-Y130 PolarHBondContact O-N 3.33Å; V126-Y137 HydrophobicContact CG1-CD2 3.83Å; V126-Y137 HydrophobicContact CG1-CE2 4.1Å; V126-K140 HydrophobicContact CG1-CB 3.69Å; V126-K140 HydrophobicContact CG2-CB 4.07Å; V126-L141 HydrophobicContact CG1-CB 4.32Å; V126-V144 HydrophobicContact CG2-CG2 3.88Å
127A91.7Very high90.4Very high0 Ų064.2 Ų64.20%033%0.33CS..Hα-helixtrans-61.7-37.6175.300000113C123 K125 S131 Y137 I207C123-A127 WeakPolarHBondContact O-CB 3.08Å; C123-A127 PolarHBondContact O-N 3.33Å; K125-A127 VanDerWaalsContact C-N 3.32Å; K125-A127 PolarHBondContact O-N 3.07Å; A127-S131 WeakPolarHBondContact O-CB 3.46Å; A127-S131 PolarHBondContact O-N 3.39Å; A127-S131 PolarHBondContact O-OG 2.94Å; A127-Y137 HydrophobicContact CB-CE2 3.95Å; A127-I207 HydrophobicContact CB-CD1 3.9Å; A127-I207 HydrophobicContact CB-CG1 3.85Å
128K90.7Very high90.5Very high119 Ų11962.6 Ų62.652%0.51732%0.323SS..Hα-helixtrans-72-33.7178.4-73.7170-174.7173.30113.4I124 K125 V126 N200 L203I124-K128 HydrophobicContact CG2-CD 4.28Å; I124-K128 VanDerWaalsContact O-CG 3.3Å; I124-K128 WeakPolarHBondContact O-CG 3.35Å; I124-K128 PolarHBondContact O-N 3.13Å; I124-K128 VanDerWaalsContact O-N 3.16Å; K125-K128 PolarHBondContact O-N 3.22Å; V126-K128 VanDerWaalsContact C-N 3.33Å; V126-K128 PolarHBondContact O-N 3.42Å; K128-N200 PolarHBondContact NZ-OD1 2.98Å; K128-L203 HydrophobicContact CD-CD1 4.09Å; K128-L203 HydrophobicContact CG-CD1 3.67Å
129E91.3Very high90.6Very high102 Ų10258.4 Ų58.448%0.47731%0.309SS..Hα-helixtrans-87.4-33.4-174-71.4172.9173.400112.6K125 V126K125-E129 WeakPolarHBondContact CE-OE1 3.36Å; K125-E129 VanDerWaalsContact CE-OE2 3.22Å; K125-E129 WeakPolarHBondContact CE-OE2 3.47Å; K125-E129 HydrophobicContact CG-CG 4.49Å; K125-E129 WeakPolarHBondContact CG-OE1 3.46Å; K125-E129 IonicContact NZ-OE1 2.93Å; K125-E129 PolarHBondContact O-N 2.7Å; V126-E129 PolarHBondContact O-N 3.1Å
130Y90.6Very high90.6Very high77 Ų7762.1 Ų62.130%0.30232%0.324SS..Hα-helixtrans-119.69-169.7-54-79.9000114.8V126 S132 D133 V136 K140V126-Y130 HydrophobicContact CG1-CD2 4.15Å; V126-Y130 WeakPolarHBondContact O-CD2 3.45Å; V126-Y130 PolarHBondContact O-N 3.33Å; Y130-S132 PolarHBondContact O-N 3.49Å; Y130-D133 PolarHBondContact O-N 3.04Å; Y130-D133 VanDerWaalsContact O-O 3.1Å; Y130-V136 HydrophobicContact CD1-CB 4.31Å; Y130-V136 HydrophobicContact CD1-CG1 3.39Å; Y130-V136 HydrophobicContact CE1-CG1 3.79Å; Y130-V136 HydrophobicContact CG-CG1 4.07Å; Y130-K140 HydrophobicContact CD2-CB 4.4Å; Y130-K140 HydrophobicContact CD2-CG 4.21Å; Y130-K140 HydrophobicContact CE2-CG 4.12Å
131S85.8Confident90.7Very high55 Ų5562 Ų6239%0.38532%0.323SS..THydrogen-bonded Turntrans-51.7-25.8-179.9-84.80000115.2A127A127-S131 WeakPolarHBondContact O-CB 3.46Å; A127-S131 PolarHBondContact O-N 3.39Å; A127-S131 PolarHBondContact O-OG 2.94Å
132S86.9Confident90.8Very high127 Ų12760.1 Ų60.189%0.88831%0.312SS*.THydrogen-bonded Turntrans-77.9-22.2-179.9-490000114.3Y130Y130-S132 PolarHBondContact O-N 3.49Å
133D89.9Confident90.8Very high73 Ų7358.2 Ų58.239%0.3931%0.31SS..  trans-122103.7-178.1-176.3-34.1000109.2Y130 S135 V136 Y137Y130-D133 PolarHBondContact O-N 3.04Å; Y130-D133 VanDerWaalsContact O-O 3.1Å; D133-S135 VanDerWaalsContact C-N 3.27Å; D133-S135 PolarHBondContact O-N 2.58Å; D133-S135 WeakPolarHBondContact OD1-CA 3.28Å; D133-S135 WeakPolarHBondContact OD1-CB 3.31Å; D133-S135 PolarHBondContact OD1-N 3.37Å; D133-V136 HydrophobicContact CB-CB 4.19Å; D133-V136 HydrophobicContact CB-CG2 4.42Å; D133-V136 PolarHBondContact OD1-N 3.35Å; D133-V136 WeakPolarHBondContact OD2-CG2 3.22Å; D133-Y137 WeakPolarHBondContact O-CB 3.49Å; D133-Y137 PolarHBondContact O-N 3.01Å
134L89.5Confident90.7Very high73 Ų7359.1 Ų59.138%0.38232%0.315SS..Hα-helixtrans-61.4-34.6-177.9-179.359.7000112.8Y137 I138 Y214L134-Y137 HydrophobicContact CD1-CD1 4.32Å; L134-I138 HydrophobicContact CD1-CD1 3.83Å; L134-I138 HydrophobicContact CD1-CG1 4.15Å; L134-I138 HydrophobicContact CG-CD1 3.95Å; L134-I138 WeakPolarHBondContact O-CB 2.75Å; L134-I138 VanDerWaalsContact O-CG1 3.26Å; L134-I138 WeakPolarHBondContact O-CG1 3.49Å; L134-I138 PolarHBondContact O-N 3.34Å; L134-Y214 HydrophobicContact CD1-CD2 4.3Å; L134-Y214 HydrophobicContact CD1-CE1 4.49Å; L134-Y214 HydrophobicContact CD1-CE2 3.71Å; L134-Y214 HydrophobicContact CD2-CE1 4.13Å
135S88.4Confident90.8Very high81 Ų8158.7 Ų58.757%0.56631%0.313SS*.Hα-helixtrans-72.9-49.4-177.1-57.80000110.6D133 Y137 I138 L139D133-S135 VanDerWaalsContact C-N 3.27Å; D133-S135 PolarHBondContact O-N 2.58Å; D133-S135 WeakPolarHBondContact OD1-CA 3.28Å; D133-S135 WeakPolarHBondContact OD1-CB 3.31Å; D133-S135 PolarHBondContact OD1-N 3.37Å; S135-Y137 VanDerWaalsContact C-N 3.33Å; S135-Y137 PolarHBondContact O-N 3.38Å; S135-I138 PolarHBondContact O-N 2.97Å; S135-L139 WeakPolarHBondContact O-CB 3.37Å; S135-L139 VanDerWaalsContact O-CG 3.3Å; S135-L139 WeakPolarHBondContact O-CG 3.21Å; S135-L139 PolarHBondContact O-N 3.29Å
136V90Very high90.7Very high47 Ų4758.5 Ų58.529%0.28531%0.312SS..Hα-helixtrans-67.2-36.5176.1-178.70000110.7Y130 D133 L139 K140Y130-V136 HydrophobicContact CD1-CB 4.31Å; Y130-V136 HydrophobicContact CD1-CG1 3.39Å; Y130-V136 HydrophobicContact CE1-CG1 3.79Å; Y130-V136 HydrophobicContact CG-CG1 4.07Å; D133-V136 HydrophobicContact CB-CB 4.19Å; D133-V136 HydrophobicContact CB-CG2 4.42Å; D133-V136 PolarHBondContact OD1-N 3.35Å; D133-V136 WeakPolarHBondContact OD2-CG2 3.22Å; V136-L139 PolarHBondContact O-N 3.23Å; V136-K140 HydrophobicContact CG1-CG 4Å; V136-K140 WeakPolarHBondContact O-CB 3.49Å; V136-K140 VanDerWaalsContact O-CG 3.28Å; V136-K140 WeakPolarHBondContact O-CG 3.48Å; V136-K140 PolarHBondContact O-N 3.23Å
137Y93.1Very high90.7Very high1 Ų162 Ų620%0.00433%0.334CS..Hα-helixtrans-58.8-49.6172.9174.7-118000112.2V126 A127 D133 L134 S135 L141 Y206 I207V126-Y137 HydrophobicContact CG1-CD2 3.83Å; V126-Y137 HydrophobicContact CG1-CE2 4.1Å; A127-Y137 HydrophobicContact CB-CE2 3.95Å; D133-Y137 WeakPolarHBondContact O-CB 3.49Å; D133-Y137 PolarHBondContact O-N 3.01Å; L134-Y137 HydrophobicContact CD1-CD1 4.32Å; S135-Y137 VanDerWaalsContact C-N 3.33Å; S135-Y137 PolarHBondContact O-N 3.38Å; Y137-L141 HydrophobicContact CE1-CD2 4.22Å; Y137-L141 HydrophobicContact CE2-CD2 4.3Å; Y137-L141 WeakPolarHBondContact O-CB 3.39Å; Y137-L141 PolarHBondContact O-N 2.8Å; Y137-Y206 HydrophobicContact CE1-CE1 4.08Å; Y137-Y206 AromaticContact CZ-CE1 3.95Å; Y137-I207 WeakPolarHBondContact OH-CG1 3.46Å
138I92.2Very high90.7Very high21 Ų2162.9 Ų62.911%0.10834%0.338CS..Hα-helixtrans-60.8-49.8176.9-74.8169.3000110.5L134 S135 K140 L141 Q142 Y214 A217 I218L134-I138 HydrophobicContact CD1-CD1 3.83Å; L134-I138 HydrophobicContact CD1-CG1 4.15Å; L134-I138 HydrophobicContact CG-CD1 3.95Å; L134-I138 WeakPolarHBondContact O-CB 2.75Å; L134-I138 VanDerWaalsContact O-CG1 3.26Å; L134-I138 WeakPolarHBondContact O-CG1 3.49Å; L134-I138 PolarHBondContact O-N 3.34Å; S135-I138 PolarHBondContact O-N 2.97Å; I138-K140 PolarHBondContact O-N 3.12Å; I138-L141 PolarHBondContact O-N 2.9Å; I138-Q142 HydrophobicContact CG2-CG 4.43Å; I138-Q142 WeakPolarHBondContact O-CG 3.41Å; I138-Q142 PolarHBondContact O-N 3.07Å; I138-Y214 HydrophobicContact CD1-CD1 4.23Å; I138-Y214 HydrophobicContact CD1-CD2 4.28Å; I138-Y214 HydrophobicContact CD1-CG 3.94Å; I138-A217 HydrophobicContact CG2-CB 4.29Å; I138-I218 HydrophobicContact CG1-CG1 4.44Å; I138-I218 HydrophobicContact CG2-CG1 4.05Å
139L90.2Very high90.7Very high97 Ų9759.7 Ų59.751%0.50833%0.334SS..Hα-helixtrans-59.2-47.9180-70.6170.1000112.3S135 V136 L141 Q142 T143S135-L139 WeakPolarHBondContact O-CB 3.37Å; S135-L139 VanDerWaalsContact O-CG 3.3Å; S135-L139 WeakPolarHBondContact O-CG 3.21Å; S135-L139 PolarHBondContact O-N 3.29Å; V136-L139 PolarHBondContact O-N 3.23Å; L139-L141 VanDerWaalsContact C-N 3.32Å; L139-L141 PolarHBondContact O-N 3.39Å; L139-Q142 WeakPolarHBondContact O-CB 3.48Å; L139-Q142 PolarHBondContact O-N 3.37Å; L139-T143 PolarHBondContact O-N 2.86Å; L139-T143 PolarHBondContact O-OG1 3.45Å
140K91.8Very high90.6Very high90 Ų9060.7 Ų60.739%0.39134%0.338SS..Hα-helixtrans-68.5-30.9178-64.5-59.8-176.9-169.20112.2V126 Y130 V136 I138 V144V126-K140 HydrophobicContact CG1-CB 3.69Å; V126-K140 HydrophobicContact CG2-CB 4.07Å; Y130-K140 HydrophobicContact CD2-CB 4.4Å; Y130-K140 HydrophobicContact CD2-CG 4.21Å; Y130-K140 HydrophobicContact CE2-CG 4.12Å; V136-K140 HydrophobicContact CG1-CG 4Å; V136-K140 WeakPolarHBondContact O-CB 3.49Å; V136-K140 VanDerWaalsContact O-CG 3.28Å; V136-K140 WeakPolarHBondContact O-CG 3.48Å; V136-K140 PolarHBondContact O-N 3.23Å; I138-K140 PolarHBondContact O-N 3.12Å; K140-V144 WeakPolarHBondContact O-CG2 3.2Å; K140-V144 PolarHBondContact O-N 3.33Å; K140-V144 VanDerWaalsContact O-N 3.15Å
141L92.6Very high90.7Very high0 Ų058.8 Ų58.80%033%0.332CS..Hα-helixtrans-72.3-40176.3-174.259.9000111.5C123 V126 Y137 I138 L139 V144 L145 I207 L211 I218C123-L141 HydrophobicContact CB-CD1 3.93Å; V126-L141 HydrophobicContact CG1-CB 4.32Å; Y137-L141 HydrophobicContact CE1-CD2 4.22Å; Y137-L141 HydrophobicContact CE2-CD2 4.3Å; Y137-L141 WeakPolarHBondContact O-CB 3.39Å; Y137-L141 PolarHBondContact O-N 2.8Å; I138-L141 PolarHBondContact O-N 2.9Å; L139-L141 VanDerWaalsContact C-N 3.32Å; L139-L141 PolarHBondContact O-N 3.39Å; L141-V144 PolarHBondContact O-N 2.83Å; L141-L145 HydrophobicContact CD1-CD1 4.21Å; L141-L145 HydrophobicContact CD1-CG 4.33Å; L141-L145 HydrophobicContact CG-CD1 3.95Å; L141-L145 HydrophobicContact CG-CG 4.49Å; L141-L145 WeakPolarHBondContact O-CB 3.39Å; L141-L145 VanDerWaalsContact O-CG 3.28Å; L141-L145 WeakPolarHBondContact O-CG 3.25Å; L141-L145 PolarHBondContact O-N 2.88Å; L141-I207 HydrophobicContact CD1-CG2 4.25Å; L141-I207 HydrophobicContact CD2-CG2 4.42Å; L141-L211 HydrophobicContact CD2-CD2 3.82Å; L141-L211 HydrophobicContact CG-CD2 4.34Å; L141-I218 HydrophobicContact CD2-CD1 4.05Å
142Q92.3Very high91Very high49 Ų4957.2 Ų57.223%0.22932%0.319CS..Hα-helixtrans-54.6-52.8167.6-70.3165.4-9.400110.7I138 L139 V144 L145 F146 A217I138-Q142 HydrophobicContact CG2-CG 4.43Å; I138-Q142 WeakPolarHBondContact O-CG 3.41Å; I138-Q142 PolarHBondContact O-N 3.07Å; L139-Q142 WeakPolarHBondContact O-CB 3.48Å; L139-Q142 PolarHBondContact O-N 3.37Å; Q142-V144 PolarHBondContact O-N 2.99Å; Q142-L145 PolarHBondContact O-N 2.89Å; Q142-L145 VanDerWaalsContact O-N 3.11Å; Q142-F146 WeakPolarHBondContact O-CB 3.44Å; Q142-F146 PolarHBondContact O-N 3.39Å; Q142-A217 PolarHBondContact NE2-O 3.4Å
143T90.5Very high91.4Very high69 Ų6952 Ų5242%0.42328%0.281SS..Hα-helixtrans-56.7-38.9-178-40.20000111.8L139L139-T143 PolarHBondContact O-N 2.86Å; L139-T143 PolarHBondContact O-OG1 3.45Å
144V92.2Very high91.5Very high18 Ų1849.5 Ų49.511%0.10927%0.266CS..Hα-helixtrans-70-50.9175.9173.50000110.8L119 K122 C123 V126 K140 L141 Q142 F146 T147L119-V144 HydrophobicContact CD1-CG1 3.54Å; L119-V144 WeakPolarHBondContact CD1-O 3.48Å; L119-V144 HydrophobicContact CG-CG1 3.94Å; K122-V144 HydrophobicContact CB-CG1 3.59Å; K122-V144 HydrophobicContact CB-CG2 4.12Å; K122-V144 HydrophobicContact CD-CG1 4.32Å; C123-V144 WeakPolarHBondContact SG-CG1 3.26Å; V126-V144 HydrophobicContact CG2-CG2 3.88Å; K140-V144 WeakPolarHBondContact O-CG2 3.2Å; K140-V144 PolarHBondContact O-N 3.33Å; K140-V144 VanDerWaalsContact O-N 3.15Å; L141-V144 PolarHBondContact O-N 2.83Å; Q142-V144 PolarHBondContact O-N 2.99Å; V144-F146 VanDerWaalsContact C-N 3.27Å; V144-F146 PolarHBondContact O-N 2.94Å; V144-T147 PolarHBondContact O-N 2.85Å; V144-T147 PolarHBondContact O-OG1 3.3Å
145L92.3Very high91.7Very high0 Ų046 Ų460%025%0.248CC..Hα-helixtrans-64-28.4-177.1-70170.4000113.6L141 Q142 T147 L148 L156 L211 I218 F219L141-L145 HydrophobicContact CD1-CD1 4.21Å; L141-L145 HydrophobicContact CD1-CG 4.33Å; L141-L145 HydrophobicContact CG-CD1 3.95Å; L141-L145 HydrophobicContact CG-CG 4.49Å; L141-L145 WeakPolarHBondContact O-CB 3.39Å; L141-L145 VanDerWaalsContact O-CG 3.28Å; L141-L145 WeakPolarHBondContact O-CG 3.25Å; L141-L145 PolarHBondContact O-N 2.88Å; Q142-L145 PolarHBondContact O-N 2.89Å; Q142-L145 VanDerWaalsContact O-N 3.11Å; L145-T147 PolarHBondContact O-N 3.34Å; L145-L148 WeakPolarHBondContact O-CB 3.42Å; L145-L148 PolarHBondContact O-N 3.39Å; L145-L156 HydrophobicContact CD2-CD2 3.98Å; L145-L211 HydrophobicContact CD1-CD2 3.61Å; L145-I218 HydrophobicContact CD1-CG2 3.62Å; L145-F219 HydrophobicContact CD1-CZ 4.46Å
146F90.4Very high92.1Very high118 Ų11842.1 Ų42.152%0.51822%0.221SC..THydrogen-bonded Turntrans-65.5-17.5174.1-164.4-113.2000113.1Q142 V144 L148Q142-F146 WeakPolarHBondContact O-CB 3.44Å; Q142-F146 PolarHBondContact O-N 3.39Å; V144-F146 VanDerWaalsContact C-N 3.27Å; V144-F146 PolarHBondContact O-N 2.94Å; F146-L148 VanDerWaalsContact C-N 3.26Å; F146-L148 PolarHBondContact O-N 3.01Å
147T91.7Very high92.3Very high86 Ų8642.1 Ų42.153%0.52822%0.217SC..THydrogen-bonded Turntrans-85.89.9171.769.10000114L119 V144 L145L119-T147 WeakPolarHBondContact CD1-OG1 3.43Å; V144-T147 PolarHBondContact O-N 2.85Å; V144-T147 PolarHBondContact O-OG1 3.3Å; L145-T147 PolarHBondContact O-N 3.34Å
148L91.7Very high92.4Very high18 Ų1844.9 Ų44.99%0.09423%0.228CC..SBendtrans-81.2149.9170.5-171.454.9000110.1V115 P116 L119 L145 F146 N152 L156V115-L148 HydrophobicContact CG2-CD2 4.37Å; P116-L148 VanDerWaalsContact CD-CD1 3.49Å; P116-L148 HydrophobicContact CG-CD1 4.34Å; L119-L148 HydrophobicContact CD2-CB 3.74Å; L119-L148 HydrophobicContact CD2-CD1 3.88Å; L119-L148 HydrophobicContact CD2-CG 4.27Å; L145-L148 WeakPolarHBondContact O-CB 3.42Å; L145-L148 PolarHBondContact O-N 3.39Å; F146-L148 VanDerWaalsContact C-N 3.26Å; F146-L148 PolarHBondContact O-N 3.01Å; L148-N152 HydrophobicContact CD1-CB 3.72Å; L148-N152 HydrophobicContact CD2-CB 3.92Å; L148-N152 HydrophobicContact CG-CB 3.6Å; L148-L156 HydrophobicContact CD2-CD2 4.09Å
149A91.4Very high92.6Very high52 Ų5244 Ų4443%0.4322%0.223SC..  trans-57.2140.8172.800000110.5E151 N152 Y153A149-E151 VanDerWaalsContact C-N 3.27Å; A149-E151 PolarHBondContact O-N 3.17Å; A149-N152 HydrophobicContact CB-CB 4.42Å; A149-N152 CarbonylContact O-C 3.44Å; A149-N152 WeakPolarHBondContact O-CA 3.27Å; A149-N152 WeakPolarHBondContact O-CB 3.5Å; A149-N152 PolarHBondContact O-N 3.27Å; A149-Y153 PolarHBondContact O-N 3.02Å
150H90.3Very high93Very high122 Ų12239.3 Ų39.357%0.56520%0.199SC*.Hα-helixtrans-55.7-43.1-172.1175.154.8000112.2N152 Y153 E154H150-N152 VanDerWaalsContact C-N 3.29Å; H150-N152 PolarHBondContact O-N 3.25Å; H150-Y153 PolarHBondContact O-N 2.93Å; H150-Y153 VanDerWaalsContact O-N 3.15Å; H150-E154 VanDerWaalsContact CE1-CG 3.43Å; H150-E154 WeakPolarHBondContact CE1-CG 3.39Å; H150-E154 IonicContact CE1-OE1 3.77Å; H150-E154 IonicContact ND1-OE1 3.7Å; H150-E154 PolarHBondContact O-N 3.49Å
151E91.2Very high93.2Very high37 Ų3740.5 Ų40.517%0.17320%0.204CC..Hα-helixtrans-53.6-45.6174.2-57.994151.600112L30 K31 L34 A149 L155L30-E151 HydrophobicContact CD2-CB 4.14Å; L30-E151 VanDerWaalsContact CD2-O 3.27Å; L30-E151 WeakPolarHBondContact CD2-O 3.46Å; L30-E151 HydrophobicContact CG-CB 4.24Å; K31-E151 HydrophobicContact CB-CG 4.27Å; K31-E151 VanDerWaalsContact CD-OE1 3.23Å; K31-E151 WeakPolarHBondContact CD-OE1 3.47Å; K31-E151 WeakPolarHBondContact CG-OE1 3.22Å; K31-E151 IonicContact NZ-OE1 3.29Å; K31-E151 PolarHBondContact NZ-OE1 3.42Å; L34-E151 HydrophobicContact CD1-CB 3.77Å; L34-E151 HydrophobicContact CD1-CG 3.97Å; A149-E151 VanDerWaalsContact C-N 3.27Å; A149-E151 PolarHBondContact O-N 3.17Å; E151-L155 WeakPolarHBondContact O-CB 3.46Å; E151-L155 PolarHBondContact O-N 3.38Å
152N93.4Very high93.4Very high22 Ų2240.9 Ų40.912%0.11821%0.206CC..Hα-helixtrans-76-31.4-179.8-75.956.3000112.1L30 L114 L148 A149 H150 L156L30-N152 HydrophobicContact CD2-CB 4.37Å; L30-N152 WeakPolarHBondContact CD2-OD1 3.44Å; L114-N152 HydrophobicContact CD1-CB 4.11Å; L114-N152 WeakPolarHBondContact CD1-O 3.43Å; L114-N152 PolarHBondContact O-ND2 3.39Å; L148-N152 HydrophobicContact CD1-CB 3.72Å; L148-N152 HydrophobicContact CD2-CB 3.92Å; L148-N152 HydrophobicContact CG-CB 3.6Å; A149-N152 HydrophobicContact CB-CB 4.42Å; A149-N152 CarbonylContact O-C 3.44Å; A149-N152 WeakPolarHBondContact O-CA 3.27Å; A149-N152 WeakPolarHBondContact O-CB 3.5Å; A149-N152 PolarHBondContact O-N 3.27Å; H150-N152 VanDerWaalsContact C-N 3.29Å; H150-N152 PolarHBondContact O-N 3.25Å; N152-L156 WeakPolarHBondContact O-CB 3.24Å; N152-L156 PolarHBondContact O-N 3.05Å
153Y94.2Very high93.6Very high19 Ų1938.6 Ų38.68%0.07520%0.195CC..Hα-helixtrans-68.3-48.4176.2-178.9-88.3000111.3A149 H150 L156 K157 F219A149-Y153 PolarHBondContact O-N 3.02Å; H150-Y153 PolarHBondContact O-N 2.93Å; H150-Y153 VanDerWaalsContact O-N 3.15Å; Y153-L156 PolarHBondContact O-N 3.32Å; Y153-K157 HydrophobicContact CE1-CD 4.31Å; Y153-K157 WeakPolarHBondContact O-CB 3.37Å; Y153-K157 PolarHBondContact O-N 3.15Å; Y153-F219 HydrophobicContact CD2-CD1 4.49Å; Y153-F219 HydrophobicContact CD2-CE1 4.49Å; Y153-F219 HydrophobicContact CE1-CD1 4.22Å; Y153-F219 AromaticContact CE2-CD1 3.87Å; Y153-F219 HydrophobicContact CE2-CD1 3.87Å; Y153-F219 HydrophobicContact CE2-CE1 4.17Å; Y153-F219 AromaticContact CZ-CD1 3.71Å
154E92.7Very high93.9Very high19 Ų1935.4 Ų35.49%0.08918%0.176CC..Hα-helixtrans-66.6-40.8179-65.6-51.9137.400112.5P41 H150 L156 K157 Y158 H221P41-E154 HydrophobicContact CB-CB 3.73Å; P41-E154 HydrophobicContact CB-CG 3.87Å; P41-E154 HydrophobicContact CG-CB 4.08Å; P41-E154 HydrophobicContact CG-CG 4.29Å; H150-E154 VanDerWaalsContact CE1-CG 3.43Å; H150-E154 WeakPolarHBondContact CE1-CG 3.39Å; H150-E154 IonicContact CE1-OE1 3.77Å; H150-E154 IonicContact ND1-OE1 3.7Å; H150-E154 PolarHBondContact O-N 3.49Å; E154-L156 VanDerWaalsContact C-N 3.32Å; E154-L156 PolarHBondContact O-N 2.94Å; E154-K157 PolarHBondContact O-N 3.39Å; E154-Y158 WeakPolarHBondContact O-CB 3.23Å; E154-Y158 PolarHBondContact O-N 3.44Å; E154-H221 IonicContact OE1-CE1 3.5Å; E154-H221 PolarHBondContact OE1-CE1 3.42Å; E154-H221 IonicContact OE1-NE2 3.96Å; E154-H221 PolarHBondContact OE1-NE2 3.21Å; E154-H221 IonicContact OE2-NE2 2.63Å
155L94.4Very high94.1Very high0 Ų038.7 Ų38.70%019%0.189CC..Hα-helixtrans-63.9-36.7173.1175.858.2000112L30 V42 V46 F106 L107 L114 E151 L159L30-L155 HydrophobicContact CD1-CD2 3.65Å; L30-L155 HydrophobicContact CD2-CB 3.99Å; L30-L155 HydrophobicContact CD2-CD2 3.62Å; L30-L155 HydrophobicContact CD2-CG 4.43Å; L30-L155 HydrophobicContact CG-CD2 4.3Å; V42-L155 HydrophobicContact CG1-CD1 4.21Å; V46-L155 HydrophobicContact CB-CD1 4.38Å; V46-L155 HydrophobicContact CG1-CD1 3.8Å; V46-L155 HydrophobicContact CG2-CD1 4.24Å; F106-L155 HydrophobicContact CE1-CD2 4.48Å; L107-L155 HydrophobicContact CD2-CD2 4.44Å; L114-L155 HydrophobicContact CD1-CB 4.06Å; L114-L155 HydrophobicContact CD1-CD2 3.83Å; L114-L155 HydrophobicContact CD1-CG 3.9Å; L114-L155 HydrophobicContact CD2-CG 4.19Å; E151-L155 WeakPolarHBondContact O-CB 3.46Å; E151-L155 PolarHBondContact O-N 3.38Å; L155-L159 WeakPolarHBondContact O-CB 3.29Å; L155-L159 PolarHBondContact O-N 3.14Å
156L95.6Very high94.3Very high0 Ų038.7 Ų38.70%019%0.189CC..Hα-helixtrans-67.9-42.9175.7-177.863.9000112L114 V115 L145 L148 N152 Y153 E154 L159 C160 V188 L211 F219L114-L156 HydrophobicContact CD2-CB 4.1Å; L114-L156 HydrophobicContact CD2-CD1 3.95Å; L114-L156 HydrophobicContact CG-CB 4.3Å; L114-L156 HydrophobicContact CG-CD1 4.44Å; V115-L156 HydrophobicContact CG2-CD1 4.5Å; V115-L156 HydrophobicContact CG2-CD2 3.84Å; L145-L156 HydrophobicContact CD2-CD2 3.98Å; L148-L156 HydrophobicContact CD2-CD2 4.09Å; N152-L156 WeakPolarHBondContact O-CB 3.24Å; N152-L156 PolarHBondContact O-N 3.05Å; Y153-L156 PolarHBondContact O-N 3.32Å; E154-L156 VanDerWaalsContact C-N 3.32Å; E154-L156 PolarHBondContact O-N 2.94Å; L156-L159 PolarHBondContact O-N 3.37Å; L156-C160 WeakPolarHBondContact O-CB 3.21Å; L156-C160 PolarHBondContact O-N 3.42Å; L156-C160 PolarHBondContact O-SG 2.98Å; L156-V188 HydrophobicContact CD1-CG1 3.64Å; L156-L211 HydrophobicContact CD1-CD1 4.15Å; L156-L211 HydrophobicContact CD2-CD1 4.19Å; L156-L211 HydrophobicContact CG-CD1 4.47Å; L156-F219 HydrophobicContact CD2-CE1 4.18Å; L156-F219 HydrophobicContact CD2-CZ 4.03Å; L156-F219 HydrophobicContact CG-CE1 4.18Å; L156-F219 HydrophobicContact CG-CZ 3.85Å
157K94.8Very high94.7Very high47 Ų4733.3 Ų33.320%0.20417%0.166CC..Hα-helixtrans-58.8-51.2174.7175174-176.7164.60111.7Y153 E154 L159 C160 K161 F219 H221Y153-K157 HydrophobicContact CE1-CD 4.31Å; Y153-K157 WeakPolarHBondContact O-CB 3.37Å; Y153-K157 PolarHBondContact O-N 3.15Å; E154-K157 PolarHBondContact O-N 3.39Å; K157-L159 PolarHBondContact O-N 3.29Å; K157-C160 PolarHBondContact O-N 2.95Å; K157-K161 PolarHBondContact O-N 3.41Å; K157-F219 HydrophobicContact CB-CB 4.19Å; K157-F219 HydrophobicContact CB-CD1 3.75Å; K157-F219 HydrophobicContact CB-CD2 4.48Å; K157-F219 HydrophobicContact CB-CE1 4.25Å; K157-F219 HydrophobicContact CB-CG 3.9Å; K157-F219 HydrophobicContact CD-CB 3.82Å; K157-F219 HydrophobicContact CD-CG 4.41Å; K157-F219 WeakPolarHBondContact CE-O 3.44Å; K157-F219 HydrophobicContact CG-CB 3.68Å; K157-F219 HydrophobicContact CG-CD1 4.21Å; K157-F219 HydrophobicContact CG-CG 3.92Å; K157-F219 PolarHBondContact NZ-O 2.94Å; K157-H221 PolarHBondContact NZ-CD2 3.38Å; K157-H221 PolarHBondContact NZ-CE1 3.23Å; K157-H221 PolarHBondContact NZ-NE2 2.96Å
158Y95.2Very high94.9Very high59 Ų5934.4 Ų34.423%0.23117%0.165CC..Hα-helixtrans-58.4-47.5175.9-177.3-99.4000111.8V42 V46 C50 D51 E154 C160 K161 F162V42-Y158 HydrophobicContact CG1-CD1 3.89Å; V42-Y158 HydrophobicContact CG1-CE1 4.09Å; V42-Y158 HydrophobicContact CG1-CG 4.3Å; V42-Y158 HydrophobicContact CG2-CD1 4.23Å; V42-Y158 HydrophobicContact CG2-CD2 4.2Å; V42-Y158 HydrophobicContact CG2-CG 3.81Å; V46-Y158 HydrophobicContact CG1-CD1 4.31Å; V46-Y158 HydrophobicContact CG1-CE1 4.19Å; C50-Y158 HydrophobicContact CB-CE1 3.87Å; D51-Y158 PolarHBondContact OD1-OH 2.8Å; E154-Y158 WeakPolarHBondContact O-CB 3.23Å; E154-Y158 PolarHBondContact O-N 3.44Å; Y158-C160 PolarHBondContact O-N 2.92Å; Y158-K161 PolarHBondContact O-N 2.86Å; Y158-F162 WeakPolarHBondContact O-CB 3.44Å; Y158-F162 PolarHBondContact O-N 3.35Å
159L96.7Very high95Very high1 Ų135.1 Ų35.11%0.00517%0.169CC..Hα-helixtrans-60.7-41.6178-179.764.9000112.1L107 L114 L155 L156 K157 F162 L163 F184 V188L107-L159 HydrophobicContact CD1-CD1 4.19Å; L107-L159 HydrophobicContact CD1-CD2 3.69Å; L107-L159 HydrophobicContact CD2-CD2 4.3Å; L114-L159 HydrophobicContact CD2-CD2 3.99Å; L155-L159 WeakPolarHBondContact O-CB 3.29Å; L155-L159 PolarHBondContact O-N 3.14Å; L156-L159 PolarHBondContact O-N 3.37Å; K157-L159 PolarHBondContact O-N 3.29Å; L159-F162 HydrophobicContact CD1-CD1 4.39Å; L159-F162 PolarHBondContact O-N 3.45Å; L159-L163 HydrophobicContact CD1-CD1 4.08Å; L159-L163 HydrophobicContact CD1-CG 4.22Å; L159-L163 HydrophobicContact CG-CD1 4.01Å; L159-L163 HydrophobicContact CG-CG 4.48Å; L159-L163 WeakPolarHBondContact O-CB 3.11Å; L159-L163 VanDerWaalsContact O-CG 3.24Å; L159-L163 WeakPolarHBondContact O-CG 3.43Å; L159-L163 PolarHBondContact O-N 3.17Å; L159-F184 HydrophobicContact CD1-CD1 4.43Å; L159-F184 HydrophobicContact CD1-CE1 4.09Å; L159-F184 HydrophobicContact CD2-CD1 4.37Å; L159-V188 HydrophobicContact CD2-CG2 3.65Å
160C97.1Very high95.2Very high0 Ų036.9 Ų36.90%017%0.168CC..Hα-helixtrans-69.1-40.7179.9-65.90000112.2L156 K157 Y158 L163 S164 H215 F219L156-C160 WeakPolarHBondContact O-CB 3.21Å; L156-C160 PolarHBondContact O-N 3.42Å; L156-C160 PolarHBondContact O-SG 2.98Å; K157-C160 PolarHBondContact O-N 2.95Å; Y158-C160 PolarHBondContact O-N 2.92Å; C160-L163 PolarHBondContact O-N 2.87Å; C160-S164 PolarHBondContact O-N 3.09Å; C160-H215 HydrophobicContact CB-CB 3.98Å; C160-H215 PolarHBondContact O-CD2 3.37Å; C160-F219 HydrophobicContact CB-CE2 3.92Å
161K95.8Very high95.5Very high115 Ų11535.5 Ų35.550%0.517%0.17SC..Hα-helixtrans-63.4-43173.8-169.5170.3-174.9173.80111.8K157 Y158 S164 K165K157-K161 PolarHBondContact O-N 3.41Å; Y158-K161 PolarHBondContact O-N 2.86Å; K161-S164 PolarHBondContact O-N 3.21Å; K161-K165 PolarHBondContact O-N 3.25Å
162F96.8Very high95.7Very high8 Ų837 Ų374%0.03518%0.182CC..Hα-helixtrans-59.5-46172.9165.3-99.7000112.2C50 L53 L54 F64 L103 Y158 L159 S164 K165 I166C50-F162 HydrophobicContact CB-CD2 3.7Å; C50-F162 HydrophobicContact CB-CE2 3.86Å; C50-F162 HydrophobicContact CB-CG 4.16Å; C50-F162 HydrophobicContact CB-CZ 4.45Å; C50-F162 WeakPolarHBondContact O-CE2 3.3Å; L53-F162 HydrophobicContact CB-CE2 4.17Å; L53-F162 HydrophobicContact CB-CZ 4.04Å; L53-F162 HydrophobicContact CD1-CZ 4.35Å; L54-F162 HydrophobicContact CD1-CD2 4.21Å; L54-F162 HydrophobicContact CD2-CD2 3.91Å; L54-F162 HydrophobicContact CD2-CE2 3.97Å; L54-F162 HydrophobicContact CG-CD2 3.86Å; L54-F162 HydrophobicContact CG-CE2 3.89Å; F64-F162 AromaticContact CE2-CE1 3.8Å; F64-F162 HydrophobicContact CE2-CE1 3.8Å; F64-F162 AromaticContact CE2-CZ 3.95Å; F64-F162 HydrophobicContact CE2-CZ 3.95Å; F64-F162 AromaticContact CZ-CE1 3.59Å; F64-F162 HydrophobicContact CZ-CE1 3.59Å; F64-F162 AromaticContact CZ-CZ 3.73Å; F64-F162 HydrophobicContact CZ-CZ 3.73Å; L103-F162 HydrophobicContact CD2-CE1 4Å; Y158-F162 WeakPolarHBondContact O-CB 3.44Å; Y158-F162 PolarHBondContact O-N 3.35Å; L159-F162 HydrophobicContact CD1-CD1 4.39Å; L159-F162 PolarHBondContact O-N 3.45Å; F162-S164 VanDerWaalsContact C-N 3.33Å; F162-S164 PolarHBondContact O-N 3.17Å; F162-K165 PolarHBondContact O-N 2.87Å; F162-I166 HydrophobicContact CE1-CG1 4.17Å; F162-I166 HydrophobicContact CE2-CD1 4.09Å; F162-I166 HydrophobicContact CE2-CG1 4.11Å; F162-I166 HydrophobicContact CZ-CD1 4.04Å; F162-I166 HydrophobicContact CZ-CG1 3.88Å; F162-I166 WeakPolarHBondContact O-CG1 2.98Å; F162-I166 PolarHBondContact O-N 3.15Å; F162-I166 VanDerWaalsContact O-N 3.17Å
163L97.7Very high95.9Very high0 Ų036 Ų360%018%0.176CC..Hα-helixtrans-69.3-27-179.3-69.8175.2000113.5F64 L159 C160 A167 L180 F184 M208 I212F64-L163 HydrophobicContact CD2-CD2 4.45Å; F64-L163 HydrophobicContact CE2-CD2 4.24Å; L159-L163 HydrophobicContact CD1-CD1 4.08Å; L159-L163 HydrophobicContact CD1-CG 4.22Å; L159-L163 HydrophobicContact CG-CD1 4.01Å; L159-L163 HydrophobicContact CG-CG 4.48Å; L159-L163 WeakPolarHBondContact O-CB 3.11Å; L159-L163 VanDerWaalsContact O-CG 3.24Å; L159-L163 WeakPolarHBondContact O-CG 3.43Å; L159-L163 PolarHBondContact O-N 3.17Å; C160-L163 PolarHBondContact O-N 2.87Å; L163-A167 WeakPolarHBondContact O-CB 3.31Å; L163-A167 PolarHBondContact O-N 2.93Å; L163-A167 VanDerWaalsContact O-N 3.07Å; L163-L180 HydrophobicContact CB-CD1 4.29Å; L163-L180 HydrophobicContact CD2-CD1 4.25Å; L163-L180 HydrophobicContact CD2-CD2 4.42Å; L163-L180 VanDerWaalsContact O-CD1 3.26Å; L163-L180 WeakPolarHBondContact O-CD1 3.47Å; L163-F184 HydrophobicContact CD1-CB 4.17Å; L163-F184 HydrophobicContact CD1-CD1 3.95Å; L163-F184 HydrophobicContact CD1-CD2 3.76Å; L163-F184 HydrophobicContact CD1-CE1 4.27Å; L163-F184 HydrophobicContact CD1-CE2 4.1Å; L163-F184 HydrophobicContact CD1-CG 3.68Å; L163-F184 HydrophobicContact CD1-CZ 4.34Å; L163-F184 HydrophobicContact CD2-CD2 3.9Å; L163-F184 HydrophobicContact CD2-CE1 4.35Å; L163-F184 HydrophobicContact CD2-CE2 3.43Å; L163-F184 VanDerWaalsContact CD2-CE2 3.43Å; L163-F184 HydrophobicContact CD2-CZ 3.69Å; L163-F184 HydrophobicContact CG-CE2 4.43Å; L163-M208 HydrophobicContact CD1-CE 4.1Å; L163-I212 HydrophobicContact CB-CD1 4.11Å; L163-I212 HydrophobicContact CB-CG1 4.01Å; L163-I212 HydrophobicContact CB-CG2 4.09Å; L163-I212 HydrophobicContact CD1-CD1 3.88Å; L163-I212 HydrophobicContact CD1-CG1 4.19Å
164S97Very high96Very high3 Ų340 Ų402%0.02119%0.194CC..Hα-helixtrans-68.5-44.3170.4-167.80000111.8C160 K161 F162 I166 A167 E168 R177 H215C160-S164 PolarHBondContact O-N 3.09Å; K161-S164 PolarHBondContact O-N 3.21Å; F162-S164 VanDerWaalsContact C-N 3.33Å; F162-S164 PolarHBondContact O-N 3.17Å; S164-I166 PolarHBondContact O-N 3.13Å; S164-A167 CarbonylContact O-C 3.59Å; S164-A167 WeakPolarHBondContact O-CA 3.4Å; S164-A167 PolarHBondContact O-N 3.24Å; S164-E168 VanDerWaalsContact C-OE1 3.24Å; S164-E168 WeakPolarHBondContact CB-OE1 3.33Å; S164-E168 VanDerWaalsContact O-CD 3.27Å; S164-E168 WeakPolarHBondContact O-CG 3.46Å; S164-E168 PolarHBondContact O-N 3.34Å; S164-E168 PolarHBondContact OG-OE1 2.8Å; S164-R177 PolarHBondContact OG-NE 3.06Å; S164-R177 PolarHBondContact OG-NH2 3.01Å; S164-H215 VanDerWaalsContact CB-CD2 3.43Å; S164-H215 WeakPolarHBondContact CB-CD2 3.44Å; S164-H215 WeakPolarHBondContact CB-NE2 3.33Å
165K96.4Very high96.2Very high87 Ų8739 Ų3938%0.37819%0.189SC..Hα-helixtrans-55.5-38173.6-72.5-166.9172.1-165.90112.9L54 L58 K161 F162 E168L54-K165 HydrophobicContact CD1-CD 4.2Å; L54-K165 HydrophobicContact CD2-CB 3.82Å; L54-K165 HydrophobicContact CD2-CD 4.2Å; L58-K165 WeakPolarHBondContact CD2-O 3.49Å; K161-K165 PolarHBondContact O-N 3.25Å; F162-K165 PolarHBondContact O-N 2.87Å; K165-E168 WeakPolarHBondContact CA-OE2 3.17Å
166I97Very high96.3Very high0 Ų040.3 Ų40.30%020%0.198CC..Hα-helixtrans-66.7-41.2172.9-60.3-64.7000111.4L54 L58 I63 F64 F162 S164 N169 N173 L180L54-I166 HydrophobicContact CD2-CD1 4.19Å; L58-I166 HydrophobicContact CD2-CD1 4.01Å; I63-I166 HydrophobicContact CD1-CD1 4.49Å; I63-I166 HydrophobicContact CG2-CG2 3.77Å; F64-I166 HydrophobicContact CE2-CG1 4.34Å; F162-I166 HydrophobicContact CE1-CG1 4.17Å; F162-I166 HydrophobicContact CE2-CD1 4.09Å; F162-I166 HydrophobicContact CE2-CG1 4.11Å; F162-I166 HydrophobicContact CZ-CD1 4.04Å; F162-I166 HydrophobicContact CZ-CG1 3.88Å; F162-I166 WeakPolarHBondContact O-CG1 2.98Å; F162-I166 PolarHBondContact O-N 3.15Å; F162-I166 VanDerWaalsContact O-N 3.17Å; S164-I166 PolarHBondContact O-N 3.13Å; I166-N169 PolarHBondContact O-N 2.91Å; I166-N173 PolarHBondContact O-ND2 3.41Å; I166-L180 HydrophobicContact CB-CD1 4.2Å; I166-L180 HydrophobicContact CG2-CD1 4.06Å
167A96.8Very high96.3Very high4 Ų444 Ų443%0.03321%0.212CC..Hα-helixtrans-73.9-25.3179.800000114.4L163 S164 N169 E170 M175 R177 L180L163-A167 WeakPolarHBondContact O-CB 3.31Å; L163-A167 PolarHBondContact O-N 2.93Å; L163-A167 VanDerWaalsContact O-N 3.07Å; S164-A167 CarbonylContact O-C 3.59Å; S164-A167 WeakPolarHBondContact O-CA 3.4Å; S164-A167 PolarHBondContact O-N 3.24Å; A167-N169 PolarHBondContact O-N 2.73Å; A167-E170 WeakPolarHBondContact O-CB 3.45Å; A167-E170 PolarHBondContact O-N 2.83Å; A167-M175 WeakPolarHBondContact CA-O 3.45Å; A167-R177 HydrophobicContact CB-CB 4.36Å; A167-R177 HydrophobicContact CB-CG 3.41Å; A167-R177 VanDerWaalsContact CB-CG 3.41Å; A167-L180 HydrophobicContact CB-CD1 4.02Å
168E95.8Very high96.4Very high110 Ų11046.2 Ų46.251%0.51423%0.226SC..Hα-helixtrans-61.5-29.8172.1-78.4139.7-141.600111.5S164 K165 E170 R177S164-E168 VanDerWaalsContact C-OE1 3.24Å; S164-E168 WeakPolarHBondContact CB-OE1 3.33Å; S164-E168 VanDerWaalsContact O-CD 3.27Å; S164-E168 WeakPolarHBondContact O-CG 3.46Å; S164-E168 PolarHBondContact O-N 3.34Å; S164-E168 PolarHBondContact OG-OE1 2.8Å; K165-E168 WeakPolarHBondContact CA-OE2 3.17Å; E168-E170 VanDerWaalsContact C-N 3.33Å; E168-E170 PolarHBondContact O-N 3.5Å; E168-R177 IonicContact OE1-NH2 3.13Å; E168-R177 PolarHBondContact OE1-NH2 3.19Å
169N95.2Very high96.5Very high33 Ų3344.5 Ų44.518%0.17622%0.223CC..THydrogen-bonded Turntrans-91.921.9172.5-159.629000114.3L58 N59 I166 A167 P171 V172 N173L58-N169 HydrophobicContact CD2-CB 4Å; L58-N169 PolarHBondContact O-ND2 3.03Å; N59-N169 PolarHBondContact OD1-ND2 3.17Å; I166-N169 PolarHBondContact O-N 2.91Å; A167-N169 PolarHBondContact O-N 2.73Å; N169-P171 VanDerWaalsContact C-N 3.32Å; N169-V172 PolarHBondContact O-N 2.88Å; N169-V172 VanDerWaalsContact O-N 3.07Å; N169-V172 VanDerWaalsContact OD1-CG2 3.32Å; N169-V172 WeakPolarHBondContact OD1-CG2 3.3Å; N169-N173 PolarHBondContact O-N 2.83Å; N169-N173 PolarHBondContact O-ND2 3.15Å; N169-N173 PolarHBondContact O-OD1 3.45Å
170E96.1Very high96.5Very high89 Ų8944.4 Ų44.442%0.41622%0.223SC..Hα-helixtrans-45.3-42.7171.2176171.4-176.400114.8A167 E168 V172 N173 K174 S176A167-E170 WeakPolarHBondContact O-CB 3.45Å; A167-E170 PolarHBondContact O-N 2.83Å; E168-E170 VanDerWaalsContact C-N 3.33Å; E168-E170 PolarHBondContact O-N 3.5Å; E170-V172 PolarHBondContact O-N 3.08Å; E170-V172 VanDerWaalsContact O-N 3.14Å; E170-N173 WeakPolarHBondContact CA-OD1 3.31Å; E170-K174 WeakPolarHBondContact O-CA 3.46Å; E170-K174 PolarHBondContact O-N 2.99Å; E170-S176 VanDerWaalsContact CD-CA 3.5Å; E170-S176 VanDerWaalsContact OE1-CB 3.29Å; E170-S176 WeakPolarHBondContact OE1-CB 3.05Å; E170-S176 WeakPolarHBondContact OE2-CA 3.43Å; E170-S176 WeakPolarHBondContact OE2-CB 3.23Å
171P95.7Very high96.5Very high93 Ų9344.4 Ų44.460%0.60422%0.223SC*.Hα-helixtrans-58.9-28.4-179.720.6-34000113.7N169 K174N169-P171 VanDerWaalsContact C-N 3.32Å; P171-K174 WeakPolarHBondContact O-CE 3.42Å; P171-K174 PolarHBondContact O-NZ 3.16Å
172V96.2Very high96.4Very high68 Ų6843 Ų4341%0.41222%0.219SC..Hα-helixtrans-91-60.2174.3-176.70000110.3N59 N169 E170 K174N59-V172 HydrophobicContact CB-CG1 3.99Å; N169-V172 PolarHBondContact O-N 2.88Å; N169-V172 VanDerWaalsContact O-N 3.07Å; N169-V172 VanDerWaalsContact OD1-CG2 3.32Å; N169-V172 WeakPolarHBondContact OD1-CG2 3.3Å; E170-V172 PolarHBondContact O-N 3.08Å; E170-V172 VanDerWaalsContact O-N 3.14Å; V172-K174 PolarHBondContact O-N 3.37Å
173N96.1Very high96.4Very high0 Ų044.4 Ų44.40%023%0.227CC..Hα-helixtrans-80.9-11.8-168.568.931.1000114.5L58 S60 Q61 G62 I63 I166 N169 E170 M175L58-N173 WeakPolarHBondContact O-CB 3.4Å; L58-N173 PolarHBondContact O-ND2 3.21Å; S60-N173 WeakPolarHBondContact O-CB 3.24Å; Q61-N173 CarbonylContact C-O 3.48Å; Q61-N173 WeakPolarHBondContact CA-O 3.43Å; G62-N173 PolarHBondContact N-O 3.27Å; I63-N173 HydrophobicContact CG2-CB 4.3Å; I166-N173 PolarHBondContact O-ND2 3.41Å; N169-N173 PolarHBondContact O-N 2.83Å; N169-N173 PolarHBondContact O-ND2 3.15Å; N169-N173 PolarHBondContact O-OD1 3.45Å; E170-N173 WeakPolarHBondContact CA-OD1 3.31Å; N173-M175 VanDerWaalsContact C-N 3.33Å; N173-M175 PolarHBondContact O-N 3.3Å; N173-M175 WeakPolarHBondContact OD1-CB 3.23Å; N173-M175 PolarHBondContact OD1-N 3.14Å
174K96.5Very high96.3Very high103 Ų10344.4 Ų44.445%0.44823%0.227SC..  trans59.935.5-180-42.8-56.9-178.1-1770114Q61 R65 E170 P171 V172Q61-K174 HydrophobicContact CG-CG 3.99Å; R65-K174 PolarHBondContact NH1-O 2.7Å; E170-K174 WeakPolarHBondContact O-CA 3.46Å; E170-K174 PolarHBondContact O-N 2.99Å; P171-K174 WeakPolarHBondContact O-CE 3.42Å; P171-K174 PolarHBondContact O-NZ 3.16Å; V172-K174 PolarHBondContact O-N 3.37Å
175M96.5Very high96.2Very high0 Ų044.2 Ų44.20%023%0.226CC..  trans-121.476.2-177.9-65.4-53-56.100113.2I63 R65 A167 N173 S179 L180 I183I63-M175 HydrophobicContact CG2-CB 4.48Å; I63-M175 HydrophobicContact CG2-CG 3.9Å; I63-M175 WeakPolarHBondContact O-CE 3.48Å; I63-M175 WeakPolarHBondContact O-CG 3.34Å; R65-M175 HydrophobicContact CB-CE 3.78Å; R65-M175 HydrophobicContact CB-SD 3.65Å; A167-M175 WeakPolarHBondContact CA-O 3.45Å; N173-M175 VanDerWaalsContact C-N 3.33Å; N173-M175 PolarHBondContact O-N 3.3Å; N173-M175 WeakPolarHBondContact OD1-CB 3.23Å; N173-M175 PolarHBondContact OD1-N 3.14Å; M175-S179 VanDerWaalsContact C-OG 3.25Å; M175-S179 WeakPolarHBondContact CA-OG 3.46Å; M175-S179 VanDerWaalsContact CE-OG 3.28Å; M175-S179 WeakPolarHBondContact CE-OG 3.39Å; M175-L180 HydrophobicContact CB-CD2 4.2Å; M175-L180 HydrophobicContact CB-CG 4.38Å; M175-L180 HydrophobicContact CE-CD2 3.74Å; M175-L180 HydrophobicContact CE-CG 4.39Å; M175-I183 HydrophobicContact CE-CD1 3.4Å
176S97Very high95.9Very high27 Ų2742 Ų4219%0.18922%0.221CC..  trans-57157.6174.6770000114.3E170 N178 S179 L180E170-S176 VanDerWaalsContact CD-CA 3.5Å; E170-S176 VanDerWaalsContact OE1-CB 3.29Å; E170-S176 WeakPolarHBondContact OE1-CB 3.05Å; E170-S176 WeakPolarHBondContact OE2-CA 3.43Å; E170-S176 WeakPolarHBondContact OE2-CB 3.23Å; S176-N178 PolarHBondContact O-N 3.06Å; S176-S179 PolarHBondContact N-OG 3.07Å; S176-S179 WeakPolarHBondContact O-CA 3.39Å; S176-S179 PolarHBondContact O-N 2.96Å; S176-S179 PolarHBondContact O-OG 2.8Å; S176-S179 PolarHBondContact OG-N 3.4Å; S176-L180 PolarHBondContact O-N 3.25Å
177R96.9Very high95.8Very high78 Ų7842.8 Ų42.829%0.29423%0.226SC..Hα-helixtrans-51.6-39.8173.7-62.9-169.9170.888-0.9112.6S164 A167 E168 G181 I212S164-R177 PolarHBondContact OG-NE 3.06Å; S164-R177 PolarHBondContact OG-NH2 3.01Å; A167-R177 HydrophobicContact CB-CB 4.36Å; A167-R177 HydrophobicContact CB-CG 3.41Å; A167-R177 VanDerWaalsContact CB-CG 3.41Å; E168-R177 IonicContact OE1-NH2 3.13Å; E168-R177 PolarHBondContact OE1-NH2 3.19Å; R177-G181 PolarHBondContact O-N 3.06Å; R177-I212 HydrophobicContact CB-CG2 4.13Å; R177-I212 HydrophobicContact CG-CG2 3.94Å
178N96.6Very high95.6Very high92 Ų9242.6 Ų42.649%0.49222%0.224SC..Hα-helixtrans-65.8-44.6174.3-17921.6000112.1S176 L180 G181 I182 T209S176-N178 PolarHBondContact O-N 3.06Å; N178-L180 VanDerWaalsContact C-N 3.33Å; N178-L180 PolarHBondContact O-N 2.94Å; N178-G181 PolarHBondContact O-N 2.92Å; N178-I182 VanDerWaalsContact O-CG1 3.32Å; N178-I182 WeakPolarHBondContact O-CG1 3.36Å; N178-I182 PolarHBondContact O-N 2.75Å; N178-T209 HydrophobicContact CB-CG2 4.11Å
179S96.5Very high95.5Very high23 Ų2337.9 Ų37.916%0.16120%0.202CC..Hα-helixtrans-64.2-37.4177.877.40000112.6M175 S176 I183M175-S179 VanDerWaalsContact C-OG 3.25Å; M175-S179 WeakPolarHBondContact CA-OG 3.46Å; M175-S179 VanDerWaalsContact CE-OG 3.28Å; M175-S179 WeakPolarHBondContact CE-OG 3.39Å; S176-S179 PolarHBondContact N-OG 3.07Å; S176-S179 WeakPolarHBondContact O-CA 3.39Å; S176-S179 PolarHBondContact O-N 2.96Å; S176-S179 PolarHBondContact O-OG 2.8Å; S176-S179 PolarHBondContact OG-N 3.4Å; S179-I183 WeakPolarHBondContact O-CD1 3.41Å; S179-I183 VanDerWaalsContact O-CG1 3.31Å; S179-I183 WeakPolarHBondContact O-CG1 3.43Å; S179-I183 PolarHBondContact O-N 2.82Å
180L97.4Very high94.9Very high0 Ų039 Ų390%020%0.204CC..Hα-helixtrans-69.3-40.9172.4-65.4176.7000111.3F64 L163 I166 A167 M175 S176 N178 I182 I183 F184 I212F64-L180 HydrophobicContact CB-CD2 4.35Å; F64-L180 HydrophobicContact CD2-CD2 4.09Å; L163-L180 HydrophobicContact CB-CD1 4.29Å; L163-L180 HydrophobicContact CD2-CD1 4.25Å; L163-L180 HydrophobicContact CD2-CD2 4.42Å; L163-L180 VanDerWaalsContact O-CD1 3.26Å; L163-L180 WeakPolarHBondContact O-CD1 3.47Å; I166-L180 HydrophobicContact CB-CD1 4.2Å; I166-L180 HydrophobicContact CG2-CD1 4.06Å; A167-L180 HydrophobicContact CB-CD1 4.02Å; M175-L180 HydrophobicContact CB-CD2 4.2Å; M175-L180 HydrophobicContact CB-CG 4.38Å; M175-L180 HydrophobicContact CE-CD2 3.74Å; M175-L180 HydrophobicContact CE-CG 4.39Å; S176-L180 PolarHBondContact O-N 3.25Å; N178-L180 VanDerWaalsContact C-N 3.33Å; N178-L180 PolarHBondContact O-N 2.94Å; L180-I182 VanDerWaalsContact C-N 3.3Å; L180-I182 PolarHBondContact O-N 2.82Å; L180-I183 PolarHBondContact O-N 2.87Å; L180-F184 HydrophobicContact CD2-CE2 4.4Å; L180-F184 WeakPolarHBondContact O-CB 3.02Å; L180-F184 PolarHBondContact O-N 2.87Å; L180-I212 HydrophobicContact CB-CD1 3.95Å
181G96.4Very high93.4Very high0 Ų036.6 Ų36.60%020%0.196CC..Hα-helixtrans-58.5-38.717400000113.5R177 N178 G185R177-G181 PolarHBondContact O-N 3.06Å; N178-G181 PolarHBondContact O-N 2.92Å; G181-G185 WeakPolarHBondContact O-CA 3.44Å; G181-G185 PolarHBondContact O-N 3.05Å
182I94.9Very high91.6Very high85 Ų8535 Ų3544%0.43619%0.187SC..Hα-helixtrans-65.6-36.3173.5-68.6163.7000112.3N178 L180 P186 N205N178-I182 VanDerWaalsContact O-CG1 3.32Å; N178-I182 WeakPolarHBondContact O-CG1 3.36Å; N178-I182 PolarHBondContact O-N 2.75Å; L180-I182 VanDerWaalsContact C-N 3.3Å; L180-I182 PolarHBondContact O-N 2.82Å; I182-P186 WeakPolarHBondContact O-CD 3.21Å; I182-N205 HydrophobicContact CG1-CB 4.18Å
183I96Very high89.5Confident37 Ų3737.2 Ų37.219%0.1920%0.196CC..Hα-helixtrans-80.2-42.4-178.4-68.7162.4000111.8F64 R65 K104 M175 S179 L180F64-I183 HydrophobicContact CB-CG2 4.23Å; R65-I183 HydrophobicContact CB-CD1 3.82Å; R65-I183 HydrophobicContact CG-CD1 4.38Å; K104-I183 HydrophobicContact CD-CG2 3.9Å; M175-I183 HydrophobicContact CE-CD1 3.4Å; S179-I183 WeakPolarHBondContact O-CD1 3.41Å; S179-I183 VanDerWaalsContact O-CG1 3.31Å; S179-I183 WeakPolarHBondContact O-CG1 3.43Å; S179-I183 PolarHBondContact O-N 2.82Å; L180-I183 PolarHBondContact O-N 2.87Å
184F96.3Very high87.5Confident0 Ų042.6 Ų42.60%023%0.225CC..Hα-helixtrans-88.6-22.8-175.1-80.6-91.5000113.8F64 K104 L107 L159 L163 L180 C187 V188 M208F64-F184 HydrophobicContact CB-CE2 3.93Å; F64-F184 HydrophobicContact CB-CZ 4.48Å; F64-F184 AromaticContact CD1-CE2 3.86Å; F64-F184 HydrophobicContact CD1-CE2 3.86Å; F64-F184 AromaticContact CD1-CZ 3.55Å; F64-F184 HydrophobicContact CD1-CZ 3.55Å; F64-F184 AromaticContact CD2-CE2 3.97Å; F64-F184 HydrophobicContact CD2-CE2 3.97Å; F64-F184 HydrophobicContact CD2-CZ 4.23Å; F64-F184 HydrophobicContact CE1-CE2 4.41Å; F64-F184 AromaticContact CE1-CZ 3.75Å; F64-F184 HydrophobicContact CE1-CZ 3.75Å; F64-F184 HydrophobicContact CE2-CE2 4.5Å; F64-F184 HydrophobicContact CE2-CZ 4.39Å; F64-F184 AromaticContact CG-CE2 3.64Å; F64-F184 HydrophobicContact CG-CE2 3.64Å; F64-F184 AromaticContact CG-CZ 3.82Å; F64-F184 HydrophobicContact CG-CZ 3.82Å; F64-F184 HydrophobicContact CZ-CZ 4.17Å; K104-F184 HydrophobicContact CG-CE1 4.31Å; K104-F184 HydrophobicContact CG-CZ 4.18Å; L107-F184 HydrophobicContact CD1-CD1 4.06Å; L107-F184 HydrophobicContact CD1-CE1 3.91Å; L159-F184 HydrophobicContact CD1-CD1 4.43Å; L159-F184 HydrophobicContact CD1-CE1 4.09Å; L159-F184 HydrophobicContact CD2-CD1 4.37Å; L163-F184 HydrophobicContact CD1-CB 4.17Å; L163-F184 HydrophobicContact CD1-CD1 3.95Å; L163-F184 HydrophobicContact CD1-CD2 3.76Å; L163-F184 HydrophobicContact CD1-CE1 4.27Å; L163-F184 HydrophobicContact CD1-CE2 4.1Å; L163-F184 HydrophobicContact CD1-CG 3.68Å; L163-F184 HydrophobicContact CD1-CZ 4.34Å; L163-F184 HydrophobicContact CD2-CD2 3.9Å; L163-F184 HydrophobicContact CD2-CE1 4.35Å; L163-F184 HydrophobicContact CD2-CE2 3.43Å; L163-F184 VanDerWaalsContact CD2-CE2 3.43Å; L163-F184 HydrophobicContact CD2-CZ 3.69Å; L163-F184 HydrophobicContact CG-CE2 4.43Å; L180-F184 HydrophobicContact CD2-CE2 4.4Å; L180-F184 WeakPolarHBondContact O-CB 3.02Å; L180-F184 PolarHBondContact O-N 2.87Å; F184-C187 CarbonylContact O-C 3.53Å; F184-C187 WeakPolarHBondContact O-CA 3.39Å; F184-C187 WeakPolarHBondContact O-CB 3.47Å; F184-C187 PolarHBondContact O-N 2.73Å; F184-V188 HydrophobicContact CB-CG2 4.41Å; F184-V188 WeakPolarHBondContact O-CB 3.44Å; F184-V188 WeakPolarHBondContact O-CG2 3.38Å; F184-V188 PolarHBondContact O-N 2.87Å; F184-M208 HydrophobicContact CB-CE 4.12Å; F184-M208 HydrophobicContact CB-CG 4.11Å; F184-M208 HydrophobicContact CB-SD 4.33Å
185G94Very high85.3Confident0 Ų043.7 Ų43.70%023%0.23CC..Hα-helixtrans-49.5-51.7175.400000113.2G181 C187 F189G181-G185 WeakPolarHBondContact O-CA 3.44Å; G181-G185 PolarHBondContact O-N 3.05Å; G185-C187 VanDerWaalsContact C-N 3.28Å; G185-C187 PolarHBondContact O-N 3.32Å; G185-F189 PolarHBondContact O-N 3.45Å; G185-F189 VanDerWaalsContact O-N 3.1Å
186P91Very high83.5Confident41 Ų4148.6 Ų48.627%0.26625%0.253SS..Hα-helixtrans-69.2-13.5174.2-19.732000116.3I182I182-P186 WeakPolarHBondContact O-CD 3.21Å
187C93Very high81.7Confident16 Ų1648.4 Ų48.411%0.10825%0.25CS..Hα-helixtrans-94.2-33.2178.3-71.30000112.4L107 F184 G185L107-C187 HydrophobicContact CB-CB 4.48Å; F184-C187 CarbonylContact O-C 3.53Å; F184-C187 WeakPolarHBondContact O-CA 3.39Å; F184-C187 WeakPolarHBondContact O-CB 3.47Å; F184-C187 PolarHBondContact O-N 2.73Å; G185-C187 VanDerWaalsContact C-N 3.28Å; G185-C187 PolarHBondContact O-N 3.32Å
188V94.6Very high80Confident0 Ų050.4 Ų50.40%027%0.266CS..Hα-helixtrans-88.8-49.1-176.9170.10000111.4L114 V115 L156 L159 F184 M208L114-V188 HydrophobicContact CB-CG1 4.25Å; L114-V188 HydrophobicContact CD2-CG1 4.3Å; L114-V188 HydrophobicContact CD2-CG2 4.41Å; L114-V188 HydrophobicContact CG-CG1 4.45Å; L114-V188 PolarHBondContact N-O 2.94Å; V115-V188 HydrophobicContact CB-CG1 4.47Å; V115-V188 HydrophobicContact CG2-CG1 3.83Å; V115-V188 PolarHBondContact N-O 2.8Å; L156-V188 HydrophobicContact CD1-CG1 3.64Å; L159-V188 HydrophobicContact CD2-CG2 3.65Å; F184-V188 HydrophobicContact CB-CG2 4.41Å; F184-V188 WeakPolarHBondContact O-CB 3.44Å; F184-V188 WeakPolarHBondContact O-CG2 3.38Å; F184-V188 PolarHBondContact O-N 2.87Å; V188-M208 HydrophobicContact CB-SD 3.9Å; V188-M208 HydrophobicContact CG1-SD 4.03Å; V188-M208 HydrophobicContact CG2-CE 4.07Å; V188-M208 HydrophobicContact CG2-SD 3.84Å
189F91.8Very high78.7Confident10 Ų1051.3 Ų51.34%0.04427%0.266CS..BIsolated β-bridgetrans-88125.9-175.4-69.1-94.3000111.7V115 C123 G185 T204 I207 M208 L211V115-F189 HydrophobicContact CB-CD1 3.82Å; V115-F189 HydrophobicContact CB-CE1 4.04Å; V115-F189 HydrophobicContact CB-CG 4.34Å; V115-F189 HydrophobicContact CG1-CD1 3.68Å; V115-F189 HydrophobicContact CG1-CE1 3.73Å; V115-F189 HydrophobicContact CG2-CD1 4.38Å; V115-F189 HydrophobicContact CG2-CE1 4.17Å; V115-F189 HydrophobicContact CG2-CZ 4.42Å; C123-F189 HydrophobicContact CB-CE1 4.42Å; G185-F189 PolarHBondContact O-N 3.45Å; G185-F189 VanDerWaalsContact O-N 3.1Å; F189-T204 HydrophobicContact CB-CG2 3.65Å; F189-T204 HydrophobicContact CD1-CG2 4.41Å; F189-T204 HydrophobicContact CD2-CG2 3.66Å; F189-T204 HydrophobicContact CE2-CG2 4.45Å; F189-T204 HydrophobicContact CG-CG2 3.65Å; F189-I207 HydrophobicContact CE1-CG2 4.28Å; F189-I207 HydrophobicContact CE2-CG2 4.38Å; F189-I207 HydrophobicContact CZ-CB 4.44Å; F189-I207 HydrophobicContact CZ-CG2 3.63Å; F189-M208 HydrophobicContact CE2-CB 4.21Å; F189-M208 HydrophobicContact CE2-SD 3.97Å; F189-L211 HydrophobicContact CE2-CD1 4.34Å; F189-L211 HydrophobicContact CZ-CD1 4.06Å
190R83.7Confident77.9Confident58 Ų5851 Ų5122%0.21926%0.262CS..  trans-78.2133.5172.5-155.860.2149.2-163.5-11.5110.3R108 L110 P111 D112 V115 E117R108-R190 PolarHBondContact O-NH1 2.84Å; L110-R190 PolarHBondContact O-NH1 3.26Å; L110-R190 PolarHBondContact O-NH2 3.43Å; P111-R190 PolarHBondContact O-NH2 3.16Å; D112-R190 WeakPolarHBondContact O-CB 3.43Å; D112-R190 VanDerWaalsContact O-CG 3.26Å; D112-R190 WeakPolarHBondContact O-CG 2.82Å; V115-R190 PolarHBondContact O-N 3.19Å; E117-R190 WeakPolarHBondContact CA-O 3.46Å; E117-R190 HydrophobicContact CB-CB 4.45Å; E117-R190 WeakPolarHBondContact CB-O 3.38Å
191C64.7Low77.4Confident38 Ų3852.8 Ų52.826%0.25727%0.271SS..  trans-132123.4174-57.50000109.4V197C191-V197 HydrophobicContact CB-CG1 4.22Å; C191-V197 HydrophobicContact CB-CG2 3.83Å
192S57.1Low77Confident59 Ų5955.2 Ų55.241%0.41330%0.296SS..  trans-75176.2165.8-65.70000110.5E117 D194 V197E117-S192 VanDerWaalsContact CD-N 3.33Å; E117-S192 WeakPolarHBondContact OE1-CA 3.29Å; E117-S192 VanDerWaalsContact OE1-CB 3.24Å; E117-S192 WeakPolarHBondContact OE1-CB 3.45Å; E117-S192 PolarHBondContact OE1-N 2.98Å; E117-S192 WeakPolarHBondContact OE2-CB 3.37Å; E117-S192 PolarHBondContact OE2-OG 2.91Å; S192-D194 VanDerWaalsContact C-N 3.27Å; S192-D194 PolarHBondContact O-N 3.08Å; S192-V197 WeakPolarHBondContact O-CG2 3.32Å
193L51.9Low76.8Confident114 Ų11453.2 Ų53.260%0.59729%0.286SS*.SBendtrans-85.417.3-146.4-128.276.9000116.5R6R6-L193 HydrophobicContact CG-CD1 4.07Å; R6-L193 HydrophobicContact CG-CD2 4.04Å; R6-L193 HydrophobicContact CG-CG 4.47Å
194D55.2Low76.7Confident114 Ų11451.6 Ų51.661%0.6128%0.277SS*.  trans-86.5157.3-163.3-68.9-14.2000114.6S192 Q196 V197S192-D194 VanDerWaalsContact C-N 3.27Å; S192-D194 PolarHBondContact O-N 3.08Å; D194-Q196 PolarHBondContact O-N 3.07Å; D194-V197 WeakPolarHBondContact O-CB 3.28Å; D194-V197 WeakPolarHBondContact O-CG2 3.42Å; D194-V197 PolarHBondContact O-N 2.89Å
195F49.7Very low76.6Confident126 Ų12652.8 Ų52.855%0.55328%0.284SS*.THydrogen-bonded Turntrans-58.5-19.5179.7-175.8-108.1000114V197F195-V197 VanDerWaalsContact C-N 3.26Å; F195-V197 PolarHBondContact O-N 3.15Å
196Q59.6Low76.6Confident102 Ų10257.1 Ų57.148%0.47730%0.301SS..Hα-helixtrans-66.8-24.7174.9-56-69.33100112.8D194 L198 K199 N200D194-Q196 PolarHBondContact O-N 3.07Å; Q196-L198 VanDerWaalsContact C-N 3.35Å; Q196-L198 PolarHBondContact O-N 3.46Å; Q196-K199 PolarHBondContact O-N 2.94Å; Q196-K199 VanDerWaalsContact O-N 3.08Å; Q196-N200 WeakPolarHBondContact O-CB 3.43Å; Q196-N200 PolarHBondContact O-N 2.92Å
197V57.4Low76.7Confident23 Ų2355.1 Ų55.114%0.13929%0.288CS..Hα-helixtrans-58.6-43.8-177.8176.30000111.8C191 S192 D194 F195 K199 N200 Q201C191-V197 HydrophobicContact CB-CG1 4.22Å; C191-V197 HydrophobicContact CB-CG2 3.83Å; S192-V197 WeakPolarHBondContact O-CG2 3.32Å; D194-V197 WeakPolarHBondContact O-CB 3.28Å; D194-V197 WeakPolarHBondContact O-CG2 3.42Å; D194-V197 PolarHBondContact O-N 2.89Å; F195-V197 VanDerWaalsContact C-N 3.26Å; F195-V197 PolarHBondContact O-N 3.15Å; V197-K199 PolarHBondContact O-N 3.36Å; V197-N200 PolarHBondContact O-N 2.89Å; V197-Q201 WeakPolarHBondContact O-CB 3.34Å; V197-Q201 PolarHBondContact O-N 3.37Å
198L61.4Low76.9Confident121 Ų12154.4 Ų54.463%0.63428%0.283SS*.Hα-helixtrans-65.3-26.6179.1-71.2175.8000113.5Q196Q196-L198 VanDerWaalsContact C-N 3.35Å; Q196-L198 PolarHBondContact O-N 3.46Å
199K69.7Low77Confident110 Ų11055 Ų5548%0.47829%0.286SS..Hα-helixtrans-81.8-38.4174.2-55.5178.3-164.7157.60111.7Q196 V197Q196-K199 PolarHBondContact O-N 2.94Å; Q196-K199 VanDerWaalsContact O-N 3.08Å; V197-K199 PolarHBondContact O-N 3.36Å
200N80.7Confident77.1Confident17 Ų1754.6 Ų54.69%0.09129%0.285CS..Hα-helixtrans-81.9-22-176-69.9-17.2000112.7I124 K128 Q196 V197 G202 L203 T204I124-N200 HydrophobicContact CD1-CB 4Å; I124-N200 HydrophobicContact CG2-CB 4.31Å; K128-N200 PolarHBondContact NZ-OD1 2.98Å; Q196-N200 WeakPolarHBondContact O-CB 3.43Å; Q196-N200 PolarHBondContact O-N 2.92Å; V197-N200 PolarHBondContact O-N 2.89Å; N200-G202 VanDerWaalsContact C-N 3.27Å; N200-G202 PolarHBondContact O-N 2.94Å; N200-L203 CarbonylContact O-C 3.56Å; N200-L203 WeakPolarHBondContact O-CA 3.35Å; N200-L203 WeakPolarHBondContact O-CB 3.47Å; N200-L203 PolarHBondContact O-N 3.26Å; N200-T204 PolarHBondContact O-N 2.89Å; N200-T204 PolarHBondContact O-OG1 3.22Å
201Q85.1Confident77.7Confident38 Ų3851.9 Ų51.918%0.17828%0.275CS..Hα-helixtrans-56.6-37.1-175.2-170.767.269.200113.2V197 L203 T204 N205V197-Q201 WeakPolarHBondContact O-CB 3.34Å; V197-Q201 PolarHBondContact O-N 3.37Å; Q201-L203 VanDerWaalsContact C-N 3.31Å; Q201-L203 PolarHBondContact O-N 2.93Å; Q201-T204 PolarHBondContact O-N 3.1Å; Q201-N205 PolarHBondContact NE2-OD1 2.96Å; Q201-N205 WeakPolarHBondContact O-CB 3.45Å; Q201-N205 PolarHBondContact O-N 2.64Å; Q201-N205 PolarHBondContact O-OD1 3.13Å; Q201-N205 VanDerWaalsContact O-OD1 3.08Å
202G89.3Confident79.3Confident51 Ų5150 Ų5053%0.52626%0.263SS..Hα-helixtrans-60.9-41.1173.700000112.3N200 N205 Y206N200-G202 VanDerWaalsContact C-N 3.27Å; N200-G202 PolarHBondContact O-N 2.94Å; G202-N205 PolarHBondContact O-N 3.13Å; G202-Y206 WeakPolarHBondContact O-CB 3.36Å; G202-Y206 PolarHBondContact O-N 3.24Å
203L91.5Very high81.1Confident43 Ų4351.7 Ų51.723%0.22526%0.264CS..Hα-helixtrans-71.3-38174.7-63.3167.3000111.9I124 K128 N200 Q201 N205 Y206 I207I124-L203 HydrophobicContact CG2-CD1 4.29Å; K128-L203 HydrophobicContact CD-CD1 4.09Å; K128-L203 HydrophobicContact CG-CD1 3.67Å; N200-L203 CarbonylContact O-C 3.56Å; N200-L203 WeakPolarHBondContact O-CA 3.35Å; N200-L203 WeakPolarHBondContact O-CB 3.47Å; N200-L203 PolarHBondContact O-N 3.26Å; Q201-L203 VanDerWaalsContact C-N 3.31Å; Q201-L203 PolarHBondContact O-N 2.93Å; L203-N205 VanDerWaalsContact C-N 3.3Å; L203-N205 PolarHBondContact O-N 2.93Å; L203-Y206 PolarHBondContact O-N 3.17Å; L203-I207 WeakPolarHBondContact O-CB 3.37Å; L203-I207 WeakPolarHBondContact O-CD1 3.34Å; L203-I207 WeakPolarHBondContact O-CG1 3.31Å; L203-I207 PolarHBondContact O-N 2.93Å
204T92.2Very high83.1Confident2 Ų249.3 Ų49.31%0.01225%0.247CC..Hα-helixtrans-59.6-42172.8-52.60000111.3F189 N200 Q201 M208F189-T204 HydrophobicContact CB-CG2 3.65Å; F189-T204 HydrophobicContact CD1-CG2 4.41Å; F189-T204 HydrophobicContact CD2-CG2 3.66Å; F189-T204 HydrophobicContact CE2-CG2 4.45Å; F189-T204 HydrophobicContact CG-CG2 3.65Å; N200-T204 PolarHBondContact O-N 2.89Å; N200-T204 PolarHBondContact O-OG1 3.22Å; Q201-T204 PolarHBondContact O-N 3.1Å; T204-M208 WeakPolarHBondContact O-CB 3.49Å; T204-M208 PolarHBondContact O-N 3.47Å
205N94.4Very high84.9Confident25 Ų2544.8 Ų44.813%0.13422%0.222CC..Hα-helixtrans-69.5-38.7176.9-64.84.7000111.6I182 Q201 G202 L203 M208 T209I182-N205 HydrophobicContact CG1-CB 4.18Å; Q201-N205 PolarHBondContact NE2-OD1 2.96Å; Q201-N205 WeakPolarHBondContact O-CB 3.45Å; Q201-N205 PolarHBondContact O-N 2.64Å; Q201-N205 PolarHBondContact O-OD1 3.13Å; Q201-N205 VanDerWaalsContact O-OD1 3.08Å; G202-N205 PolarHBondContact O-N 3.13Å; L203-N205 VanDerWaalsContact C-N 3.3Å; L203-N205 PolarHBondContact O-N 2.93Å; N205-M208 PolarHBondContact O-N 2.92Å; N205-T209 WeakPolarHBondContact O-CB 3.49Å; N205-T209 PolarHBondContact O-N 2.83Å; N205-T209 PolarHBondContact O-OG1 2.9Å
206Y93.6Very high86.8Confident91 Ų9144.1 Ų44.136%0.35723%0.225SC..Hα-helixtrans-64.4-43.3173.7175.4-102.1000112.4Y137 G202 L203 T209 S210Y137-Y206 HydrophobicContact CE1-CE1 4.08Å; Y137-Y206 AromaticContact CZ-CE1 3.95Å; G202-Y206 WeakPolarHBondContact O-CB 3.36Å; G202-Y206 PolarHBondContact O-N 3.24Å; L203-Y206 PolarHBondContact O-N 3.17Å; Y206-T209 WeakPolarHBondContact O-CB 3.47Å; Y206-T209 PolarHBondContact O-N 2.71Å; Y206-S210 WeakPolarHBondContact O-CB 3.49Å; Y206-S210 PolarHBondContact O-N 2.99Å; Y206-S210 PolarHBondContact O-OG 3.34Å
207I94.7Very high88.3Confident0 Ų041.2 Ų41.20%022%0.218CC..Hα-helixtrans-60.8-51.3173.5-65.8156.1000109.2C123 I124 A127 Y137 L141 F189 L203 T209 S210 L211C123-I207 HydrophobicContact CB-CD1 4Å; C123-I207 HydrophobicContact CB-CG2 4.34Å; C123-I207 WeakPolarHBondContact O-CD1 3.43Å; I124-I207 HydrophobicContact CG1-CD1 3.9Å; A127-I207 HydrophobicContact CB-CD1 3.9Å; A127-I207 HydrophobicContact CB-CG1 3.85Å; Y137-I207 WeakPolarHBondContact OH-CG1 3.46Å; L141-I207 HydrophobicContact CD1-CG2 4.25Å; L141-I207 HydrophobicContact CD2-CG2 4.42Å; F189-I207 HydrophobicContact CE1-CG2 4.28Å; F189-I207 HydrophobicContact CE2-CG2 4.38Å; F189-I207 HydrophobicContact CZ-CB 4.44Å; F189-I207 HydrophobicContact CZ-CG2 3.63Å; L203-I207 WeakPolarHBondContact O-CB 3.37Å; L203-I207 WeakPolarHBondContact O-CD1 3.34Å; L203-I207 WeakPolarHBondContact O-CG1 3.31Å; L203-I207 PolarHBondContact O-N 2.93Å; I207-T209 VanDerWaalsContact C-N 3.27Å; I207-T209 PolarHBondContact O-N 3.22Å; I207-S210 CarbonylContact O-C 3.57Å; I207-S210 WeakPolarHBondContact O-CA 3.45Å; I207-S210 WeakPolarHBondContact O-CB 3.49Å; I207-S210 PolarHBondContact O-N 2.82Å; I207-L211 HydrophobicContact CG2-CD2 4.46Å; I207-L211 HydrophobicContact CG2-CG 4.34Å; I207-L211 WeakPolarHBondContact O-CG 3.43Å; I207-L211 PolarHBondContact O-N 3.04Å
208M96.4Very high89.9Confident0 Ų040.2 Ų40.20%021%0.212CC..Hα-helixtrans-58.6-39.2178.2-169.172-14400112.3L163 F184 V188 F189 T204 N205 S210 L211 I212L163-M208 HydrophobicContact CD1-CE 4.1Å; F184-M208 HydrophobicContact CB-CE 4.12Å; F184-M208 HydrophobicContact CB-CG 4.11Å; F184-M208 HydrophobicContact CB-SD 4.33Å; V188-M208 HydrophobicContact CB-SD 3.9Å; V188-M208 HydrophobicContact CG1-SD 4.03Å; V188-M208 HydrophobicContact CG2-CE 4.07Å; V188-M208 HydrophobicContact CG2-SD 3.84Å; F189-M208 HydrophobicContact CE2-CB 4.21Å; F189-M208 HydrophobicContact CE2-SD 3.97Å; T204-M208 WeakPolarHBondContact O-CB 3.49Å; T204-M208 PolarHBondContact O-N 3.47Å; N205-M208 PolarHBondContact O-N 2.92Å; M208-S210 VanDerWaalsContact C-N 3.33Å; M208-L211 PolarHBondContact O-N 3.29Å; M208-L211 HydrophobicContact SD-CD1 4.38Å; M208-I212 HydrophobicContact CE-CD1 4.04Å; M208-I212 HydrophobicContact CE-CG1 3.99Å; M208-I212 HydrophobicContact CG-CD1 4.28Å; M208-I212 VanDerWaalsContact O-CG1 3.31Å; M208-I212 WeakPolarHBondContact O-CG1 3.36Å; M208-I212 PolarHBondContact O-N 3.09Å; M208-I212 VanDerWaalsContact O-N 3.12Å
209T96.5Very high91.2Very high12 Ų1234.9 Ų34.97%0.07418%0.184CC..Hα-helixtrans-60.8-43.6173.2-57.10000111.1N178 N205 Y206 I207 I212 Q213N178-T209 HydrophobicContact CB-CG2 4.11Å; N205-T209 WeakPolarHBondContact O-CB 3.49Å; N205-T209 PolarHBondContact O-N 2.83Å; N205-T209 PolarHBondContact O-OG1 2.9Å; Y206-T209 WeakPolarHBondContact O-CB 3.47Å; Y206-T209 PolarHBondContact O-N 2.71Å; I207-T209 VanDerWaalsContact C-N 3.27Å; I207-T209 PolarHBondContact O-N 3.22Å; T209-I212 PolarHBondContact O-N 3.31Å; T209-Q213 VanDerWaalsContact O-CB 3.32Å; T209-Q213 WeakPolarHBondContact O-CB 3.46Å; T209-Q213 PolarHBondContact O-N 3.42Å
210S95Very high91.5Very high3 Ų333.4 Ų33.42%0.02118%0.184CC..Hα-helixtrans-65.8-37.2177.1-55.80000112.4Y206 I207 M208 I212 Q213 Y214Y206-S210 WeakPolarHBondContact O-CB 3.49Å; Y206-S210 PolarHBondContact O-N 2.99Å; Y206-S210 PolarHBondContact O-OG 3.34Å; I207-S210 CarbonylContact O-C 3.57Å; I207-S210 WeakPolarHBondContact O-CA 3.45Å; I207-S210 WeakPolarHBondContact O-CB 3.49Å; I207-S210 PolarHBondContact O-N 2.82Å; M208-S210 VanDerWaalsContact C-N 3.33Å; S210-I212 VanDerWaalsContact C-N 3.3Å; S210-I212 PolarHBondContact O-N 3.12Å; S210-Q213 PolarHBondContact O-N 2.97Å; S210-Y214 WeakPolarHBondContact O-CD2 3.16Å; S210-Y214 PolarHBondContact O-N 3.21Å
211L96.1Very high90.2Very high0 Ų038.1 Ų38.10%021%0.205CC..Hα-helixtrans-62.9-36.3173.3-58.4-169.3000112.1L141 L145 L156 F189 I207 M208 H215 I218L141-L211 HydrophobicContact CD2-CD2 3.82Å; L141-L211 HydrophobicContact CG-CD2 4.34Å; L145-L211 HydrophobicContact CD1-CD2 3.61Å; L156-L211 HydrophobicContact CD1-CD1 4.15Å; L156-L211 HydrophobicContact CD2-CD1 4.19Å; L156-L211 HydrophobicContact CG-CD1 4.47Å; F189-L211 HydrophobicContact CE2-CD1 4.34Å; F189-L211 HydrophobicContact CZ-CD1 4.06Å; I207-L211 HydrophobicContact CG2-CD2 4.46Å; I207-L211 HydrophobicContact CG2-CG 4.34Å; I207-L211 WeakPolarHBondContact O-CG 3.43Å; I207-L211 PolarHBondContact O-N 3.04Å; M208-L211 PolarHBondContact O-N 3.29Å; M208-L211 HydrophobicContact SD-CD1 4.38Å; L211-H215 WeakPolarHBondContact O-CA 3.46Å; L211-H215 WeakPolarHBondContact O-CB 3.46Å; L211-H215 PolarHBondContact O-N 3.23Å; L211-I218 HydrophobicContact CD2-CD1 4.07Å; L211-I218 HydrophobicContact CD2-CG2 4.2Å
212I96.8Very high88.1Confident0 Ų039.2 Ų39.20%021%0.21CC..Hα-helixtrans-77.9-35.8177.5-61.6163.4000111.1L163 R177 L180 M208 T209 S210 H215L163-I212 HydrophobicContact CB-CD1 4.11Å; L163-I212 HydrophobicContact CB-CG1 4.01Å; L163-I212 HydrophobicContact CB-CG2 4.09Å; L163-I212 HydrophobicContact CD1-CD1 3.88Å; L163-I212 HydrophobicContact CD1-CG1 4.19Å; R177-I212 HydrophobicContact CB-CG2 4.13Å; R177-I212 HydrophobicContact CG-CG2 3.94Å; L180-I212 HydrophobicContact CB-CD1 3.95Å; M208-I212 HydrophobicContact CE-CD1 4.04Å; M208-I212 HydrophobicContact CE-CG1 3.99Å; M208-I212 HydrophobicContact CG-CD1 4.28Å; M208-I212 VanDerWaalsContact O-CG1 3.31Å; M208-I212 WeakPolarHBondContact O-CG1 3.36Å; M208-I212 PolarHBondContact O-N 3.09Å; M208-I212 VanDerWaalsContact O-N 3.12Å; T209-I212 PolarHBondContact O-N 3.31Å; S210-I212 VanDerWaalsContact C-N 3.3Å; S210-I212 PolarHBondContact O-N 3.12Å; I212-H215 PolarHBondContact O-CD2 3.26Å
213Q95.2Very high85.8Confident94 Ų9440.6 Ų40.644%0.43921%0.21SC..Hα-helixtrans-81.1-29.9-176.3-175.7169.4-11.400114.1T209 S210T209-Q213 VanDerWaalsContact O-CB 3.32Å; T209-Q213 WeakPolarHBondContact O-CB 3.46Å; T209-Q213 PolarHBondContact O-N 3.42Å; S210-Q213 PolarHBondContact O-N 2.97Å
214Y93.7Very high83.2Confident64 Ų6443.4 Ų43.425%0.25122%0.22SC..SBendtrans-12231.9-176.7-51.1-68.4000111.5L134 I138 S210 D216 A217 I218L134-Y214 HydrophobicContact CD1-CD2 4.3Å; L134-Y214 HydrophobicContact CD1-CE1 4.49Å; L134-Y214 HydrophobicContact CD1-CE2 3.71Å; L134-Y214 HydrophobicContact CD2-CE1 4.13Å; I138-Y214 HydrophobicContact CD1-CD1 4.23Å; I138-Y214 HydrophobicContact CD1-CD2 4.28Å; I138-Y214 HydrophobicContact CD1-CG 3.94Å; S210-Y214 WeakPolarHBondContact O-CD2 3.16Å; S210-Y214 PolarHBondContact O-N 3.21Å; Y214-D216 VanDerWaalsContact C-N 3.29Å; Y214-D216 PolarHBondContact O-N 3.17Å; Y214-A217 PolarHBondContact O-N 3.14Å; Y214-A217 VanDerWaalsContact O-N 3.14Å; Y214-I218 WeakPolarHBondContact O-CB 3.19Å; Y214-I218 WeakPolarHBondContact O-CG1 3.47Å; Y214-I218 PolarHBondContact O-N 3.41Å
215H92.9Very high80.8Confident18 Ų1845.5 Ų45.58%0.08323%0.233CC..Hα-helixtrans-58-40.5-175.561.367.4000112.7C160 S164 L211 I212 A217 I218 F219C160-H215 HydrophobicContact CB-CB 3.98Å; C160-H215 PolarHBondContact O-CD2 3.37Å; S164-H215 VanDerWaalsContact CB-CD2 3.43Å; S164-H215 WeakPolarHBondContact CB-CD2 3.44Å; S164-H215 WeakPolarHBondContact CB-NE2 3.33Å; L211-H215 WeakPolarHBondContact O-CA 3.46Å; L211-H215 WeakPolarHBondContact O-CB 3.46Å; L211-H215 PolarHBondContact O-N 3.23Å; I212-H215 PolarHBondContact O-CD2 3.26Å; H215-A217 VanDerWaalsContact C-N 3.29Å; H215-A217 PolarHBondContact O-N 3.15Å; H215-I218 PolarHBondContact O-N 2.78Å; H215-F219 HydrophobicContact CB-CD2 3.92Å; H215-F219 HydrophobicContact CB-CE2 4.32Å; H215-F219 WeakPolarHBondContact O-CB 3.39Å; H215-F219 WeakPolarHBondContact O-CD2 3.2Å; H215-F219 PolarHBondContact O-N 3.45Å
216D90.9Very high78.2Confident112 Ų11248.6 Ų48.660%0.59925%0.249SC*.Hα-helixtrans-67.2-32.9-179-61.7-42000112Y214 V220Y214-D216 VanDerWaalsContact C-N 3.29Å; Y214-D216 PolarHBondContact O-N 3.17Å; D216-V220 WeakPolarHBondContact O-CG2 3.35Å
217A90.6Very high75.4Confident42 Ų4250.4 Ų50.435%0.34726%0.26SS..Hα-helixtrans-76.5-39.5172.700000112.5I138 Q142 Y214 H215I138-A217 HydrophobicContact CG2-CB 4.29Å; Q142-A217 PolarHBondContact NE2-O 3.4Å; Y214-A217 PolarHBondContact O-N 3.14Å; Y214-A217 VanDerWaalsContact O-N 3.14Å; H215-A217 VanDerWaalsContact C-N 3.29Å; H215-A217 PolarHBondContact O-N 3.15Å
218I91.1Very high72.9Confident2 Ų254.2 Ų54.21%0.0128%0.276CS..Hα-helixtrans-79.6-27.9-174.1-68169.4000112.4I138 L141 L145 L211 Y214 H215I138-I218 HydrophobicContact CG1-CG1 4.44Å; I138-I218 HydrophobicContact CG2-CG1 4.05Å; L141-I218 HydrophobicContact CD2-CD1 4.05Å; L145-I218 HydrophobicContact CD1-CG2 3.62Å; L211-I218 HydrophobicContact CD2-CD1 4.07Å; L211-I218 HydrophobicContact CD2-CG2 4.2Å; Y214-I218 WeakPolarHBondContact O-CB 3.19Å; Y214-I218 WeakPolarHBondContact O-CG1 3.47Å; Y214-I218 PolarHBondContact O-N 3.41Å; H215-I218 PolarHBondContact O-N 2.78Å
219F89Confident70.4Confident8 Ų857 Ų574%0.03529%0.293CS..THydrogen-bonded Turntrans-113.522.9-175.4-59.5-75.4000114.4L145 Y153 L156 K157 C160 H215 H221L145-F219 HydrophobicContact CD1-CZ 4.46Å; Y153-F219 HydrophobicContact CD2-CD1 4.49Å; Y153-F219 HydrophobicContact CD2-CE1 4.49Å; Y153-F219 HydrophobicContact CE1-CD1 4.22Å; Y153-F219 AromaticContact CE2-CD1 3.87Å; Y153-F219 HydrophobicContact CE2-CD1 3.87Å; Y153-F219 HydrophobicContact CE2-CE1 4.17Å; Y153-F219 AromaticContact CZ-CD1 3.71Å; L156-F219 HydrophobicContact CD2-CE1 4.18Å; L156-F219 HydrophobicContact CD2-CZ 4.03Å; L156-F219 HydrophobicContact CG-CE1 4.18Å; L156-F219 HydrophobicContact CG-CZ 3.85Å; K157-F219 HydrophobicContact CB-CB 4.19Å; K157-F219 HydrophobicContact CB-CD1 3.75Å; K157-F219 HydrophobicContact CB-CD2 4.48Å; K157-F219 HydrophobicContact CB-CE1 4.25Å; K157-F219 HydrophobicContact CB-CG 3.9Å; K157-F219 HydrophobicContact CD-CB 3.82Å; K157-F219 HydrophobicContact CD-CG 4.41Å; K157-F219 WeakPolarHBondContact CE-O 3.44Å; K157-F219 HydrophobicContact CG-CB 3.68Å; K157-F219 HydrophobicContact CG-CD1 4.21Å; K157-F219 HydrophobicContact CG-CG 3.92Å; K157-F219 PolarHBondContact NZ-O 2.94Å; C160-F219 HydrophobicContact CB-CE2 3.92Å; H215-F219 HydrophobicContact CB-CD2 3.92Å; H215-F219 HydrophobicContact CB-CE2 4.32Å; H215-F219 WeakPolarHBondContact O-CB 3.39Å; H215-F219 WeakPolarHBondContact O-CD2 3.2Å; H215-F219 PolarHBondContact O-N 3.45Å; F219-H221 PolarHBondContact O-N 2.98Å
220V76Confident67.5Low79 Ų7960.8 Ų60.848%0.47931%0.312SS..  trans-54.3120.5167.8-176.40000109D216 H222D216-V220 WeakPolarHBondContact O-CG2 3.35Å; V220-H222 VanDerWaalsContact C-N 3.35Å; V220-H222 HydrophobicContact CG1-CB 4.23Å; V220-H222 PolarHBondContact O-N 2.93Å
221H53.1Low64.7Low116 Ų11662.7 Ų62.754%0.53732%0.322SS..  trans-71.797.3162.2-81.4-49.2000108.4E154 K157 F219 P223E154-H221 IonicContact OE1-CE1 3.5Å; E154-H221 PolarHBondContact OE1-CE1 3.42Å; E154-H221 IonicContact OE1-NE2 3.96Å; E154-H221 PolarHBondContact OE1-NE2 3.21Å; E154-H221 IonicContact OE2-NE2 2.63Å; K157-H221 PolarHBondContact NZ-CD2 3.38Å; K157-H221 PolarHBondContact NZ-CE1 3.23Å; K157-H221 PolarHBondContact NZ-NE2 2.96Å; F219-H221 PolarHBondContact O-N 2.98Å; H221-P223 VanDerWaalsContact O-CD 3.24Å; H221-P223 WeakPolarHBondContact O-CD 3.45Å
222H40.6Very low62.1Low62 Ų6269.1 Ų69.129%0.28735%0.352SS..  trans-110.884.1165.5-153.2-117.3000109V220 K224 T225V220-H222 VanDerWaalsContact C-N 3.35Å; V220-H222 HydrophobicContact CG1-CB 4.23Å; V220-H222 PolarHBondContact O-N 2.93Å; H222-K224 PolarHBondContact O-N 2.93Å; H222-T225 HydrophobicContact CB-CG2 4Å; H222-T225 PolarHBondContact ND1-N 3.22Å; H222-T225 VanDerWaalsContact ND1-N 3.11Å; H222-T225 PolarHBondContact O-N 3.45Å; H222-T225 PolarHBondContact O-OG1 2.94Å
223P40.6Very low59.2Low79 Ų7974.5 Ų74.551%0.51338%0.38SS..THydrogen-bonded Turntrans-69.637168.231.8-36.3000112.1H221 R428H221-P223 VanDerWaalsContact O-CD 3.24Å; H221-P223 WeakPolarHBondContact O-CD 3.45Å; P223-R428 PolarHBondContact O-NH1 2.82Å; P223-R428 VanDerWaalsContact O-NH1 3.11Å; P223-R428 PolarHBondContact O-NH2 3.21Å
224K37.6Very low56.5Low102 Ų10278.2 Ų78.244%0.44340%0.395SS..THydrogen-bonded Turntrans-141.9-4.7173.7-0.8-179.2179.1176.40111.6H222 D226 F227 F228H222-K224 PolarHBondContact O-N 2.93Å; K224-D226 PolarHBondContact O-N 3.03Å; K224-F227 PolarHBondContact O-N 3.22Å; K224-F228 WeakPolarHBondContact O-CD2 3.46Å
225T42Very low54Low46 Ų4681.4 Ų81.428%0.28241%0.41SS..Hα-helixtrans-68-22.6173.225.40000112.8H222 F227 F228 V229H222-T225 HydrophobicContact CB-CG2 4Å; H222-T225 PolarHBondContact ND1-N 3.22Å; H222-T225 VanDerWaalsContact ND1-N 3.11Å; H222-T225 PolarHBondContact O-N 3.45Å; H222-T225 PolarHBondContact O-OG1 2.94Å; T225-F227 PolarHBondContact O-N 2.83Å; T225-F228 PolarHBondContact O-N 3.24Å; T225-F228 VanDerWaalsContact O-N 3.15Å; T225-V229 HydrophobicContact CG2-CG2 4.48Å; T225-V229 WeakPolarHBondContact O-CB 3.26Å; T225-V229 WeakPolarHBondContact O-CG2 3.23Å; T225-V229 PolarHBondContact O-N 2.81Å
226D40.7Very low50.9Low90 Ų9087.1 Ų87.148%0.48144%0.441SS..Hα-helixtrans-60.7-26.7173.3-56.4-54.8000111.7K224 L230K224-D226 PolarHBondContact O-N 3.03Å; D226-L230 WeakPolarHBondContact O-CB 3.15Å; D226-L230 WeakPolarHBondContact O-CD1 3.38Å; D226-L230 WeakPolarHBondContact O-CG 3.2Å
227F34.5Very low48.1Very low130 Ų13086.9 Ų86.957%0.5745%0.446SS*.Hα-helixtrans-77.3-50.8169.6-152.4-95.2000111.9K224 T225 V229 L230 D231 I421K224-F227 PolarHBondContact O-N 3.22Å; T225-F227 PolarHBondContact O-N 2.83Å; F227-V229 PolarHBondContact O-N 3.36Å; F227-L230 PolarHBondContact O-N 3.07Å; F227-D231 VanDerWaalsContact O-CB 3.25Å; F227-D231 WeakPolarHBondContact O-CB 3.4Å; F227-D231 PolarHBondContact O-N 2.9Å; F227-I421 HydrophobicContact CE2-CD1 4.02Å
228F41.7Very low45.1Very low79 Ų7993 Ų9335%0.34647%0.467SS..Hα-helixtrans-69.6-31.8-176.1-74.9-81.2000114.9K224 T225 H232 L905K224-F228 WeakPolarHBondContact O-CD2 3.46Å; T225-F228 PolarHBondContact O-N 3.24Å; T225-F228 VanDerWaalsContact O-N 3.15Å; F228-H232 WeakPolarHBondContact O-CB 3.48Å; F228-H232 PolarHBondContact O-CD2 3.47Å; F228-H232 PolarHBondContact O-N 2.83Å; F228-L905 HydrophobicContact CZ-CD1 4.37Å
229V43Very low42.2Very low58 Ų58101.6 Ų101.635%0.35251%0.511SS..Hα-helixtrans-73.7-36.4176175.30000110.4T225 F227 L233T225-V229 HydrophobicContact CG2-CG2 4.48Å; T225-V229 WeakPolarHBondContact O-CB 3.26Å; T225-V229 WeakPolarHBondContact O-CG2 3.23Å; T225-V229 PolarHBondContact O-N 2.81Å; F227-V229 PolarHBondContact O-N 3.36Å; V229-L233 HydrophobicContact CG1-CD1 4.12Å; V229-L233 WeakPolarHBondContact O-CB 3.12Å; V229-L233 WeakPolarHBondContact O-CD1 3.42Å; V229-L233 VanDerWaalsContact O-CG 3.24Å; V229-L233 WeakPolarHBondContact O-CG 3.01Å; V229-L233 PolarHBondContact O-N 2.94Å
230L37.4Very low39.3Very low92 Ų92106.5 Ų106.548%0.48254%0.541SS..Hα-helixtrans-71.6-41.3171.6-67.1-179.2000111.5D226 F227 H232 L233 F234D226-L230 WeakPolarHBondContact O-CB 3.15Å; D226-L230 WeakPolarHBondContact O-CD1 3.38Å; D226-L230 WeakPolarHBondContact O-CG 3.2Å; F227-L230 PolarHBondContact O-N 3.07Å; L230-H232 VanDerWaalsContact C-N 3.29Å; L230-H232 PolarHBondContact O-N 3.19Å; L230-L233 HydrophobicContact CD2-CD1 4.48Å; L230-L233 CarbonylContact O-C 3.51Å; L230-L233 WeakPolarHBondContact O-CA 3.37Å; L230-L233 PolarHBondContact O-N 3.08Å; L230-F234 HydrophobicContact CB-CD2 4.15Å; L230-F234 HydrophobicContact CB-CE2 4.29Å; L230-F234 HydrophobicContact CD2-CE2 4.19Å; L230-F234 VanDerWaalsContact O-CD2 3.26Å; L230-F234 WeakPolarHBondContact O-CD2 3.18Å; L230-F234 PolarHBondContact O-N 2.84Å
231D35.9Very low37Very low43 Ų43107.5 Ų107.523%0.2355%0.552CS.*Hα-helixtrans-59.4-39.4176.5-164.351.1000111.6F227 L233 K235F227-D231 VanDerWaalsContact O-CB 3.25Å; F227-D231 WeakPolarHBondContact O-CB 3.4Å; F227-D231 PolarHBondContact O-N 2.9Å; D231-L233 VanDerWaalsContact C-N 3.34Å; D231-L233 PolarHBondContact O-N 3.29Å; D231-K235 WeakPolarHBondContact O-CB 3.24Å; D231-K235 WeakPolarHBondContact O-CG 3.42Å; D231-K235 PolarHBondContact O-N 2.89Å; D231-K235 WeakPolarHBondContact OD1-CD 3.45Å; D231-K235 WeakPolarHBondContact OD1-CE 3.37Å; D231-K235 IonicContact OD1-NZ 2.75Å; D231-K235 PolarHBondContact OD1-NZ 3.21Å; D231-K235 IonicContact OD2-NZ 2.74Å; D231-K235 PolarHBondContact OD2-NZ 2.84Å
232H39.9Very low35.8Very low136 Ų136110.1 Ų110.163%0.6357%0.57SS**Hα-helixtrans-76.8-11171.7-75.2-53.2000115.4F228 L230F228-H232 WeakPolarHBondContact O-CB 3.48Å; F228-H232 PolarHBondContact O-CD2 3.47Å; F228-H232 PolarHBondContact O-N 2.83Å; L230-H232 VanDerWaalsContact C-N 3.29Å; L230-H232 PolarHBondContact O-N 3.19Å
233L37Very low35.4Very low112 Ų112112.9 Ų112.959%0.58660%0.596SS**Hα-helixtrans-94.6-26.4171.6-76.2167.4000112.6V229 L230 D231V229-L233 HydrophobicContact CG1-CD1 4.12Å; V229-L233 WeakPolarHBondContact O-CB 3.12Å; V229-L233 WeakPolarHBondContact O-CD1 3.42Å; V229-L233 VanDerWaalsContact O-CG 3.24Å; V229-L233 WeakPolarHBondContact O-CG 3.01Å; V229-L233 PolarHBondContact O-N 2.94Å; L230-L233 HydrophobicContact CD2-CD1 4.48Å; L230-L233 CarbonylContact O-C 3.51Å; L230-L233 WeakPolarHBondContact O-CA 3.37Å; L230-L233 PolarHBondContact O-N 3.08Å; D231-L233 VanDerWaalsContact C-N 3.34Å; D231-L233 PolarHBondContact O-N 3.29Å
234F38Very low35.1Very low172 Ų172113.9 Ų113.975%0.75461%0.611SS**Hα-helixtrans-96.3-22.2177.6-73.1-68.5000113.6L230 L236L230-F234 HydrophobicContact CB-CD2 4.15Å; L230-F234 HydrophobicContact CB-CE2 4.29Å; L230-F234 HydrophobicContact CD2-CE2 4.19Å; L230-F234 VanDerWaalsContact O-CD2 3.26Å; L230-F234 WeakPolarHBondContact O-CD2 3.18Å; L230-F234 PolarHBondContact O-N 2.84Å; F234-L236 PolarHBondContact O-N 2.84Å
235K40.7Very low34.7Very low131 Ų131116.6 Ų116.657%0.5763%0.63SS**SBendtrans-87.144.6170.5-67.4176.4174.7153.90113.4D231D231-K235 WeakPolarHBondContact O-CB 3.24Å; D231-K235 WeakPolarHBondContact O-CG 3.42Å; D231-K235 PolarHBondContact O-N 2.89Å; D231-K235 WeakPolarHBondContact OD1-CD 3.45Å; D231-K235 WeakPolarHBondContact OD1-CE 3.37Å; D231-K235 IonicContact OD1-NZ 2.75Å; D231-K235 PolarHBondContact OD1-NZ 3.21Å; D231-K235 IonicContact OD2-NZ 2.74Å; D231-K235 PolarHBondContact OD2-NZ 2.84Å
236L29.7Very low34.3Very low139 Ų139120.3 Ų120.373%0.72865%0.654SS**  trans-118.286.9162.2-77.7175.8000109.5F234F234-L236 PolarHBondContact O-N 2.84Å
237P30.5Very low33.7Very low107 Ų107121.9 Ų121.970%0.69566%0.662SS**  trans-64.6141.2169.6-17.331.6000111.4I239P237-I239 PolarHBondContact O-N 2.89Å
238E29.2Very low33.6Very low169 Ų169123.9 Ų123.979%0.7968%0.677SS**  trans44.573.6147-60.2-176.6120.900118.4
239I29Very low33.1Very low184 Ų184127 Ų12794%0.94469%0.693SS**  -114.262.6123.7-50.3-178.3000107.4P237P237-I239 PolarHBondContact O-N 2.89Å
240V28.8Very low32.5Very low111 Ų111129.4 Ų129.467%0.67370%0.704SS**  trans-90.9130.3174.2174.30000108.1
241S27.6Very low32.1Very low99 Ų99134.6 Ų134.669%0.69272%0.717SS**  trans23.8104.3159.3-53.20000118.7
242N27.8Very low31.8Very low171 Ų171140.4 Ų140.491%0.91475%0.746SS**  trans-17487.9140.4-98-32.4000114.3
243S32.6Very low31.3Very low120 Ų120142.6 Ų142.684%0.83976%0.757SS**SBendtrans-174.2140.614662.40000111.5
244A34.1Very low31.1Very low100 Ų100142.3 Ų142.383%0.82676%0.761SS**  trans70.559.8171.200000117.9
245L29Very low30.7Very low160 Ų160139.4 Ų139.484%0.83876%0.763SS**PPolyproline II helixtrans-71.6152.1139.5-66.1173000109.6
246P33.7Very low30.2Very low123 Ų123138.5 Ų138.580%0.79977%0.773SS**PPolyproline II helixtrans-87129.7143.533-25.9000109.6
247I28.6Very low30.4Very low124 Ų124140.3 Ų140.364%0.63678%0.778SS**PPolyproline II helixtrans-77.8139.7174-63.7160.8000109.2E249I247-E249 WeakPolarHBondContact CG2-OE2 3.28Å
248L32.2Very low30.5Very low172 Ų172142.4 Ų142.490%0.90178%0.781SS**  trans-144.8111.5147.5-81.3-175.6000109.5
249E30Very low30.5Very low144 Ų144139 Ų13967%0.67378%0.776SS**  trans-57.2166.3145.9-63.887.917400109.8I247I247-E249 WeakPolarHBondContact CG2-OE2 3.28Å
250D31.3Very low30.5Very low109 Ų109136.6 Ų136.658%0.58377%0.77SS**  cis-160.8162.229.4-158.1-0.1000112
251R28.2Very low30.6Very low201 Ų201136.3 Ų136.376%0.75877%0.773SS**  trans51.9120.7164.1-65.4158.5-139-129.5-7.8119.5
252I30.8Very low30.8Very low165 Ų165136.6 Ų136.685%0.84678%0.775SS**  -174.412199.4-87.8154.6000110.2
253Q28Very low31.1Very low182 Ų182133.5 Ų133.585%0.8577%0.767SS**  trans-114.5168.1148.4-89.7-167.6-1100106.1
254P32.5Very low31.4Very low105 Ų105135.5 Ų135.568%0.68276%0.763SS**  cis-139.4173.715.542.8-24.9000117.5
255S29.8Very low31.3Very low112 Ų112136.8 Ų136.878%0.78376%0.756SS**  trans42.9120.5140.166.40000123.7
256S31.2Very low31.7Very low111 Ų111135.7 Ų135.778%0.77675%0.751SS**  -137.8152.6123.157.90000107
257E32.7Very low31.6Very low178 Ų178135.4 Ų135.483%0.83275%0.752SS**  cis-136.5-17529.6-55-177.7135.800113.9
258I32.8Very low32.1Very low151 Ų151135.8 Ų135.877%0.77476%0.763SS**SBendtrans84111.2168.8-53.8-178.6000117
259S29.3Very low32Very low98 Ų98130.8 Ų130.869%0.68575%0.752SS**  trans86.1103158.1-66.40000121.8
260T28.7Very low32Very low132 Ų132131.5 Ų131.581%0.8176%0.759SS**  trans83.5129.8138.458.90000122.5
261S31.1Very low31.8Very low105 Ų105132 Ų13273%0.73477%0.766SS**  trans87.894.8156.1-310000121.1
262S33.1Very low31.8Very low106 Ų106127.5 Ų127.574%0.74177%0.765SS**  trans64.3109.3132.161.50000123.5
263S33.1Very low31.7Very low105 Ų105125.3 Ų125.373%0.73477%0.765SS**  87.2107.2122.5-66.20000123.4
264Q39Very low31.7Very low163 Ų163124.4 Ų124.476%0.76277%0.765SS**  89.497.8123.3-65.8-171.17.100122.5
265N33Very low31.7Very low127 Ų127129 Ų12968%0.67978%0.777SS**  88.1127.2109-66-1.7000123.3
266N37.3Very low31.6Very low136 Ų136131.2 Ų131.273%0.72778%0.775SS**  trans88.885.7137.1-62-6.2000122.6
267S32.1Very low31.5Very low118 Ų118132.1 Ų132.183%0.82577%0.771SS**  66.5155.9113.2-59.80000123.6
268P37.2Very low31.5Very low132 Ų132129.9 Ų129.986%0.85777%0.77SS**  trans-122.3179.4-160.842.9-29.2000116
269G31.6Very low31.2Very low66 Ų66132 Ų13268%0.6877%0.774SS**  trans-171.5128.416800000119.9
270I29.9Very low31.3Very low160 Ų160132 Ų13282%0.82177%0.774SS**  77.693.9127-59.2176.6000121.2
271T27.3Very low31.4Very low118 Ų118133.2 Ų133.272%0.72477%0.77SS**  53.9136129.670.60000126.1
272S26.4Very low31.4Very low107 Ų107137.2 Ų137.275%0.74878%0.775SS**  trans80.6128.6132.373.20000122.4
273S29.7Very low31.3Very low120 Ų120136.9 Ų136.984%0.83977%0.768SS**  169.4173.8113.248.50000110.9
274L27.2Very low31.1Very low162 Ų162140.8 Ų140.885%0.84878%0.775SS**  trans-109.6153-178-48.394.6000111
275Q32.5Very low30.8Very low201 Ų201137.6 Ų137.694%0.93978%0.776SS**  -171.1158.5123.3-105.7166.2-6.100116.5
276E27.7Very low30.6Very low160 Ų160139.5 Ų139.575%0.74879%0.785SS**  trans-73.7169-168.3-78.9176.1-160.300119.4
277N29.7Very low30.5Very low129 Ų129138 Ų13869%0.6978%0.783SS**  trans69.5129.3146.8-59.3-29.1000121.7
278T33.1Very low30.3Very low131 Ų131140.5 Ų140.580%0.80479%0.786SS**  171.1115.1109.5-69.80000114.5
279F27Very low30.1Very low196 Ų196138.7 Ų138.786%0.8678%0.782SS**  trans15.6146.4142.9-88.7-92.9000125.9
280S30.1Very low30Very low97 Ų97140.2 Ų140.268%0.67878%0.783SS**  119.7105.6127.1-800000123.9
281H31.5Very low30.2Very low159 Ų159141.4 Ų141.474%0.73678%0.782SS**  81.5160.7122-103.3-98.4000126.4
282F31Very low30.4Very low189 Ų189142.4 Ų142.483%0.82978%0.783SS**  trans83.3156.3170.6-75.9-83.4000121.2
283V31.5Very low30.4Very low99 Ų99143 Ų14360%0.678%0.782SS**  -168.4140.4-87.2146.30000112.9
284E29.3Very low30.5Very low187 Ų187145 Ų14587%0.87478%0.783SS**  trans57.7165.5163.4-75173.9140.700119.5
285A32.5Very low30.5Very low95 Ų95146.1 Ų146.179%0.78578%0.781SS**  cis-145.7-172.83.800000114.1
286L28.8Very low30.5Very low167 Ų167142.9 Ų142.987%0.87478%0.777SS**  trans-94.6-168.8178-69.7164.6000111.4
287P34.2Very low30.5Very low106 Ų106137.8 Ų137.869%0.68877%0.767SS**  cis-148.5171.96.244-23.1000121
288L28.4Very low30.5Very low169 Ų169137.4 Ų137.489%0.88577%0.772SS**  trans77.4151.3138.9-83.9165.1000125.6
289A32.6Very low30.4Very low94 Ų94138.6 Ų138.678%0.77777%0.773SS**  trans74.6152.4160.800000120.3
290S29Very low30.4Very low99 Ų99136.1 Ų136.169%0.69277%0.769SS**  cis-170.8154.9-33.2-166.30000110.6
291K34.7Very low30.3Very low184 Ų184141.5 Ų141.580%0.878%0.776SS**  trans68.7151.6173.4-59.3169.7-174.8172.70114.9
292N31Very low30.2Very low140 Ų140139.4 Ų139.475%0.74977%0.774SS**  cis-150.3174.1-5.5-118.50.8000112
293T27.2Very low29.9Very low119 Ų119141.2 Ų141.273%0.7378%0.775SS**  trans-17.5148.9168.536.70000119.3
294L30.9Very low29.7Very low162 Ų162144.7 Ų144.785%0.84879%0.787SS**  cis-152.6161.444.9-166.960.1000114.6
295K27.1Very low29.5Very low186 Ų186138.3 Ų138.381%0.80976%0.763SS**  trans-120.7150.8175.4-101.3-176.8-180179.90109.3
296P32.5Very low29.3Very low133 Ų133142.4 Ų142.486%0.86477%0.766SS**  -129174.570.237.6-25.1000113
297G29.1Very low29.1Very low52 Ų52140.2 Ų140.254%0.53676%0.755SS.*  cis146.4124.1-0.900000109.5D299G297-D299 PolarHBondContact O-N 3.1Å
298P28.6Very low28.8Very low121 Ų121144.6 Ų144.679%0.78677%0.766SS**  trans-80.6117.8-177.430.7-32.4000110.7N300P298-N300 PolarHBondContact O-N 3.35Å; P298-N300 PolarHBondContact O-ND2 3.28Å
299D31.2Very low28.6Very low156 Ų156141.5 Ų141.583%0.83476%0.758SS**  trans-68.8122.5179.7-84.3-39.9000112.1G297G297-D299 PolarHBondContact O-N 3.1Å
300N27.3Very low28.4Very low145 Ų145141.5 Ų141.578%0.77575%0.752SS**  trans-89.7112.1172.3-65.6-90.8000108.4P298P298-N300 PolarHBondContact O-N 3.35Å; P298-N300 PolarHBondContact O-ND2 3.28Å
301Y29Very low28.3Very low210 Ų210141.9 Ų141.982%0.82476%0.755SS**  trans-126.894.4161.1-97.1-79.8000113.8
302V27.8Very low28Very low115 Ų115140.7 Ų140.770%0.69775%0.753SS**  trans60.9114.7131.61780000118.3
303W26.5Very low28.1Very low226 Ų226139.6 Ų139.686%0.85675%0.753SS**  trans-63.2146156.8-64.4-2.3000111.5S305W303-S305 VanDerWaalsContact CE3-OG 3.23Å
304M26.3Very low28.2Very low173 Ų173142.3 Ų142.385%0.85276%0.755SS**  trans-10196.4144.4-70.8-145.786.400109.7
305S25.7Very low28.2Very low53 Ų53142.4 Ų142.437%0.37175%0.754SS.*  trans-84.5144.1161.7-72.20000110.2W303W303-S305 VanDerWaalsContact CE3-OG 3.23Å
306H27.6Very low28.5Very low181 Ų181138.5 Ų138.584%0.83875%0.748SS**  trans-118.560.6153.7-81.2-51.2000109.5
307D25.2Very low28.3Very low121 Ų121142.9 Ų142.965%0.64775%0.747SS**  trans-106121.6157.8-79.1-42.4000107.2
308H27Very low28.4Very low198 Ų198145.8 Ų145.892%0.91776%0.755SS**  trans-148115.7155.2-87.5-56.3000109.5
309S24.5Very low28.6Very low103 Ų103147.2 Ų147.272%0.7276%0.756SS**  trans-121.9174.1166.563.20000109.6
310S27.6Very low28.9Very low94 Ų94145.6 Ų145.666%0.65775%0.754SS**  trans61.5100.8149.854.90000119.4
311S26.9Very low29.2Very low107 Ų107141.9 Ų141.975%0.74875%0.75SS**  49.9124.1120.762.40000122.1
312E28.5Very low29.5Very low160 Ų160140.3 Ų140.375%0.74875%0.75SS**  trans45.3140.7134.3-97.3-156.2126.900121.7
313P33.3Very low29.7Very low117 Ų117139.5 Ų139.576%0.7675%0.749SS**  -153.1144.37538.6-18.8000119.5
314K29Very low30.2Very low176 Ų176136 Ų13677%0.76575%0.746SS**  trans45.3164.2132.1-91.5175.3178.9173.20124.5
315I31.1Very low30.7Very low164 Ų164132.6 Ų132.684%0.84174%0.736SS**  trans93.8137163.2-72.8154.9000115.5
316P33.3Very low30.9Very low104 Ų104137.4 Ų137.468%0.67576%0.758SS**  -139.6-174.8-121.140.7-22.2000116.5
317R29.2Very low31.1Very low225 Ų225133.3 Ų133.385%0.84975%0.75SS**  trans152.3130.9133.1-85176.7170.7162.3-3.3115.8
318T30.7Very low31.5Very low113 Ų113135 Ų13569%0.69376%0.756SS**  trans56.2110.3140.7590000123.5
319N32.5Very low31.7Very low150 Ų150131 Ų13180%0.80275%0.749SS**  52.8158106.9-65.28.9000122.4
320P38.8Very low31.8Very low122 Ų122129.3 Ų129.379%0.79275%0.747SS**  cis-143.5176-35.640.1-23.2000115.5
321G32.2Very low31.9Very low67 Ų67130.8 Ų130.869%0.69175%0.752SS**  trans87.7165.115300000118
322H35.8Very low31.9Very low178 Ų178131.4 Ų131.482%0.82475%0.751SS**  cis-166.6149.1-14.8-144.144.2000110.7
323S32.5Very low32.1Very low98 Ų98129.2 Ų129.269%0.68575%0.748SS**  trans57.1160.5158.545.50000119.8
324I35.8Very low32Very low153 Ų153130 Ų13079%0.78575%0.747SS**  cis-155.9156.5-21.5-109.5164000107.1
325P37.5Very low32.3Very low101 Ų101125.6 Ų125.666%0.65674%0.737SS**  trans-83.3176179.636.6-39.2000113.4
326D30Very low32.3Very low154 Ų154124 Ų12482%0.82473%0.73SS**  179.5149.7116.7-107.2-19.3000119.7
327S31Very low32.3Very low95 Ų95125.8 Ų125.866%0.66473%0.734SS**  trans73.1165.3135.9-152.80000125.3
328M33.9Very low32.4Very low157 Ų157119.1 Ų119.177%0.77372%0.722SS**  trans80.4109.2165.9-64.7-80.992.400121.7
329C31.1Very low32.2Very low114 Ų114119 Ų11977%0.7773%0.725SS**  trans43.3144138.3-59.60000122.5
330G26.8Very low32Very low66 Ų66117.9 Ų117.968%0.6872%0.724SS**  cis113.3160.42.800000113.6
331V30.6Very low31.6Very low126 Ų126117.4 Ų117.476%0.76472%0.723SS**  trans71.699178-175.50000112.4
332T27.1Very low31.3Very low119 Ų119119.1 Ų119.173%0.7373%0.725SS**  60.3150.885.462.60000113.8
333V31.3Very low31.3Very low114 Ų114115.8 Ų115.869%0.69172%0.719SS**  cis-151.5174.537.4-145.90000111.8
334D32.2Very low30.9Very low135 Ų135118.2 Ų118.272%0.72272%0.717SS**  trans71137.1158.2-69.3-53.4000119.7
335S35.3Very low30.6Very low82 Ų82118.2 Ų118.257%0.57371%0.714SS**  cis-153.7133.8-3.3-128.50000111.8
336N31.4Very low30Very low130 Ų130118.2 Ų118.270%0.69571%0.708SS**  trans49.5139.4132.8-62.2-39.7000120.9
337L32.3Very low29.8Very low143 Ų143118 Ų11875%0.74971%0.707SS**  cis-164.1162.37-122.2168.1000110.8
338S31.3Very low29.6Very low85 Ų85119.6 Ų119.659%0.59471%0.713SS**  trans38.2123.4153.3580000120.7
339S27.9Very low29.2Very low109 Ų109116.8 Ų116.876%0.76271%0.709SS**  59.5139.860.189.90000113.7
340V28.4Very low28.8Very low128 Ų128116.4 Ų116.478%0.77671%0.707SS**  cis-164.7167.35.292.30000110.8
341S28.4Very low28.9Very low111 Ų111123.6 Ų123.678%0.77671%0.714SS**  trans69.6158.9160.865.30000122.4
342S27.5Very low28.7Very low104 Ų104124.5 Ų124.573%0.72771%0.71SS**  trans-84.1-172.8177.758.30000113.5
343P34.2Very low28.8Very low108 Ų108128.8 Ų128.870%0.70171%0.714SS**  cis-137.4-179.7-3.935.6-13.7000116.5
344F26Very low28.6Very low149 Ų149130.4 Ų130.465%0.65471%0.712SS**  trans44.9143.5148.2-93.1-79.3000125.9L775F344-L775 HydrophobicContact CZ-CD2 4.36Å
345Q27.6Very low28.4Very low153 Ų153130.4 Ų130.472%0.71571%0.707SS**  trans86.3109159.6-58.9-15024.900123.1
346N25.7Very low28Very low100 Ų100133.9 Ų133.954%0.53571%0.713SS.*  45.8133.3129-58.73.5000126.3
347N25.1Very low27.8Very low149 Ų149134.5 Ų134.580%0.79772%0.715SS**  trans68.8148.5151.6-53.6-7.6000115.7
348V26.9Very low27.7Very low129 Ų129133.5 Ų133.578%0.78271%0.709SS**  cis-156.6152.8491560000112.5
349S25.4Very low27.4Very low98 Ų98133.2 Ų133.269%0.68571%0.707SS**  trans30123.9156.3-58.90000124.6
350S24.2Very low27.7Very low106 Ų106131.4 Ų131.474%0.74169%0.693SS**  45.6127.5113.9-43.80000122.4
351R28Very low27.6Very low218 Ų218129 Ų12982%0.82368%0.682SS**  179.7121.9114.8-94.8175.7-172.3-154.73.2110.1
352Q25.6Very low27.6Very low144 Ų144128.2 Ų128.267%0.67368%0.682SS**  87.4162.7102.4-73.9178.7-49.800115
353Y30.9Very low27.6Very low209 Ų209128.6 Ų128.682%0.8268%0.684SS**  trans75.997-169.2-53.4-69.6000113.6
354K27.1Very low27.6Very low149 Ų149129 Ų12965%0.64869%0.687SS**  cis65.7126.833.8-139.8-149.2168.3-155.40108.3
355E28.1Very low27.6Very low135 Ų135128.5 Ų128.563%0.63170%0.696SS**  cis-153.7171.536.5-78.9178.7-164.800109.6
356F26.3Very low27.8Very low155 Ų155126.3 Ų126.368%0.6870%0.696SS**  cis-165.1-169.6-12.7-111.8-39.5000109.4
357L27.4Very low27.8Very low142 Ų142128.8 Ų128.874%0.74371%0.707SS**  trans83.3101.9156.3-51.7-171.2000121.8
358I29.2Very low27.9Very low122 Ų122127.7 Ų127.763%0.62671%0.708SS**  77.1150.6124.6-64.2165.7000119.8
359S25.6Very low27.8Very low79 Ų79128.4 Ų128.455%0.55271%0.706SS**  trans-115.6-143.2-167.9-6.70000111E460S359-E460 WeakPolarHBondContact CB-OE1 3.28Å; S359-E460 PolarHBondContact N-OE1 3.02Å; S359-E460 PolarHBondContact OG-OE1 2.74Å
360P34.1Very low27.8Very low72 Ų72128.8 Ų128.847%0.46871%0.705SS.*  -129.8-131.5-70.441.4-23.4000111E460P360-E460 VanDerWaalsContact CD-CA 3.4Å; P360-E460 VanDerWaalsContact CD-CG 3.42Å; P360-E460 WeakPolarHBondContact CD-OE1 3.45Å; P360-E460 HydrophobicContact CG-CB 4.01Å; P360-E460 HydrophobicContact CG-CG 3.83Å
361S26Very low28Very low77 Ų77132.8 Ų132.854%0.53871%0.709SS.*  trans-63.7145.7-174.3520000117.7E460S361-E460 PolarHBondContact O-N 3.4Å
362A29.6Very low27.9Very low95 Ų95130.2 Ų130.279%0.78571%0.706SS**  trans-144.5143.3133.400000109.4
363S26.3Very low28.1Very low111 Ų111130 Ų13078%0.77671%0.714SS**  trans-106.3157167.456.30000109.7
364P33.4Very low27.8Very low117 Ų117124.6 Ų124.676%0.7671%0.707SS**  -143.2140.2114.935.8-22.6000114.1
365T26.9Very low27.9Very low138 Ų138122.4 Ų122.485%0.84771%0.711SS**  trans-79.2132.1148.9360000108.9
366P31.1Very low27.9Very low108 Ų108122.2 Ų122.270%0.70172%0.719SS**  -135.5118127.128.2-12.9000112.6
367I27Very low28.1Very low151 Ų151120.4 Ų120.477%0.77472%0.723SS**  37.6131119.8-66175.8000117.4
368P27.7Very low28Very low127 Ų127119 Ų11983%0.82572%0.72SS**  trans-82.4144.7-146.533.5-37.6000114.8
369I24.7Very low28Very low144 Ų144122.5 Ų122.574%0.73873%0.731SS**  trans-141.6143.3176.2-60.1-179.5000108.9
370T24.6Very low28.1Very low106 Ų106124 Ų12465%0.6574%0.737SS**  trans64.7140.8169.340.90000118.5
371F28.7Very low27.9Very low190 Ų190125.8 Ų125.883%0.83375%0.751SS**  cis-125.7139.6-2.7-88.4-78.3000110.9
372E25.3Very low27.9Very low164 Ų164133.2 Ų133.277%0.76677%0.767SS**  trans-75.9143.6157.5-72-163.617600110.5
373V29.6Very low27.9Very low138 Ų138132.9 Ų132.984%0.83676%0.759SS**  trans-131.9100.2144.8179.80000106.8
374S24.7Very low28.1Very low96 Ų96134.6 Ų134.667%0.67176%0.759SS**  trans-94.1129.9172.552.40000110.1
375S30.4Very low27.7Very low104 Ų104134.6 Ų134.673%0.72776%0.762SS**  trans-158.875.8170.662.80000111.2
376T27Very low27.9Very low130 Ų130134 Ų13480%0.79876%0.759SS**  trans-76.8149.6163.246.80000110.5
377P30.1Very low27.6Very low118 Ų118133.6 Ų133.677%0.76676%0.758SS**  trans-116.2113.3148.632.8-24.6000110.2
378T26.1Very low27.8Very low111 Ų111136.8 Ų136.868%0.68176%0.762SS**  trans-89.8118.4174.7-52.10000110.4V380T378-V380 HydrophobicContact CG2-CG2 4.13Å
379F29.8Very low27.8Very low197 Ų197136.5 Ų136.586%0.86475%0.753SS**  trans-128.9108.1160.1-86.8-94.7000106.1
380V27.3Very low28Very low111 Ų111137 Ų13767%0.67375%0.753SS**  70.18053.3-1690000113.6T378T378-V380 HydrophobicContact CG2-CG2 4.13Å
381S28.8Very low28.4Very low109 Ų109140.1 Ų140.176%0.76276%0.76SS**  trans-178.5125.1134.6-80.30000109.1
382R27.5Very low28.6Very low233 Ų233140.5 Ų140.588%0.87976%0.764SS**  64129.788.4-115.9-173.7179.7166.6-1.1112.4
383S29.2Very low29Very low87 Ų87139.6 Ų139.661%0.60877%0.765SS**  cis-157.4160.422-41.10000114.6
384N30.7Very low29Very low147 Ų147137.3 Ų137.379%0.78676%0.76SS**  trans64.5106.3144.6-59.60.6000121.4
385S24.6Very low29.4Very low117 Ų117141.4 Ų141.482%0.81877%0.769SS**  trans-65.4147.9138.851.80000112.2
386V30.7Very low29.3Very low127 Ų127144.8 Ų144.877%0.7777%0.773SS**  trans-134.6128.1148.5179.20000107.6Y388V386-Y388 HydrophobicContact CG1-CD2 3.97Å; V386-Y388 HydrophobicContact CG1-CE2 3.97Å
387S24.6Very low29.6Very low98 Ų98144.7 Ų144.769%0.68577%0.772SS**  trans-107.5142.9170.353.80000109.2
388Y32Very low29.8Very low218 Ų218144.2 Ų144.286%0.85577%0.771SS**  trans-134.8140.6154.2-89.4-77.4000110.3V386V386-Y388 HydrophobicContact CG1-CD2 3.97Å; V386-Y388 HydrophobicContact CG1-CE2 3.97Å
389N27Very low30Very low122 Ų122146.4 Ų146.465%0.65278%0.779SS**  trans-77.5-172164.5-52-17.5000107
390E30.2Very low30.3Very low154 Ų154142.8 Ų142.872%0.7278%0.778SS**  cis-161.616723.4-143.7127.9-116.600110
391E33.3Very low30.7Very low171 Ų171140.9 Ų140.980%0.79978%0.781SS**  trans13.2119.9161.2-60.9-178.2169.300120.5
392E32.4Very low31.1Very low198 Ų198141.7 Ų141.793%0.92578%0.783SS**  trans-105.4121.4159.6-173.8175.4-129.800109.2
393N32.5Very low31.2Very low146 Ų146139.6 Ų139.678%0.78178%0.784SS**  trans-125.7158.1168.3-92.6-62.7000109.1
394A30Very low31.3Very low89 Ų89140 Ų14074%0.73679%0.793SS**  trans-51.5158.6179.800000112.9
395E32.9Very low31.4Very low183 Ų183140.7 Ų140.786%0.85580%0.795SS**  cis-151.217549.9-76.8177.6146.400115.7
396E29.9Very low32Very low175 Ų175146.1 Ų146.182%0.81880%0.8SS**  trans-12.9142.6167.8-49.2-175.9143.700120.5
397V33.4Very low32.3Very low127 Ų127145.8 Ų145.877%0.7780%0.798SS**  173.2129.7104.41580000112.8
398S33.1Very low33.6Very low108 Ų108147.5 Ų147.576%0.75579%0.793SS**  trans11.6117.5154.7-49.70000123.9
399D31.4Very low35.4Very low157 Ų157141.2 Ų141.284%0.8478%0.778SS**  59.4104.9109.7-161.519.6000121.2
400S35.8Very low36.8Very low121 Ų121140.2 Ų140.285%0.84678%0.78SS**  trans-173.9165.6133.635.30000112.1
401G34.8Very low38.6Very low72 Ų72140.1 Ų140.174%0.74278%0.78SS**  trans-93.3-150.8-166.400000117.4
402P37.6Very low40.3Very low125 Ų125136 Ų13681%0.81276%0.76SS**  -125.2-175.5-116.740.9-27.7000116.3
403E29Very low41.8Very low190 Ų190130.9 Ų130.989%0.88874%0.739SS**  trans73.6114.5168-57.5-162.7151.600119
404A32.8Very low43.6Very low96 Ų96126.5 Ų126.579%0.79372%0.723SS**  trans-146.8113.4153.900000109.6
405L31.7Very low45.8Very low161 Ų161126.9 Ų126.984%0.84371%0.712SS**  trans-77.3124.7179.8-80.6154.2000111.3
406Y37.2Very low47.5Very low231 Ų231120.3 Ų120.391%0.90668%0.683SS**  trans-103.492.5164.8-104-83.6000110.8K408Y406-K408 PolarHBondContact O-N 2.9Å
407T37.8Very low49.6Very low120 Ų120115.9 Ų115.974%0.73666%0.664SS**  trans-82.2105.2173.638.90000110.7T409T407-T409 PolarHBondContact O-N 3.26Å
408K51.8Low51.7Low133 Ų133113.6 Ų113.658%0.57865%0.65SS**  trans-62.3134.9163-85.7-169.5170.2-174.50109.4Y406 Q412 D416Y406-K408 PolarHBondContact O-N 2.9Å; K408-Q412 HydrophobicContact CD-CG 4.37Å; K408-D416 IonicContact NZ-OD2 3.86Å; K408-D416 PolarHBondContact NZ-OD2 3.01Å
409T69.1Low53.6Low87 Ų87113.1 Ų113.153%0.53464%0.639SS.*  trans-65.5153.3172.453.60000111.1T407 E411 Q412 L413T407-T409 PolarHBondContact O-N 3.26Å; T409-E411 PolarHBondContact O-N 3.04Å; T409-Q412 PolarHBondContact O-N 3.26Å; T409-L413 PolarHBondContact O-N 3.05Å; T409-L413 VanDerWaalsContact O-N 3.11Å
410S56.2Low55.5Low100 Ų100110.3 Ų110.370%0.69962%0.623SS**Hα-helixtrans-56.4-37.5177.344.80000112.6L413 A414S410-L413 PolarHBondContact O-N 3.14Å; S410-A414 WeakPolarHBondContact O-CB 3.43Å; S410-A414 PolarHBondContact O-N 3.48Å
411E68Low57.1Low153 Ų153108.3 Ų108.372%0.71560%0.602SS**Hα-helixtrans-63.6-48.1177.6-61.5-179.7154.700112T409 L413 A414 L415T409-E411 PolarHBondContact O-N 3.04Å; E411-L413 VanDerWaalsContact C-N 3.28Å; E411-L413 PolarHBondContact O-N 2.9Å; E411-A414 PolarHBondContact O-N 3.48Å; E411-L415 WeakPolarHBondContact O-CB 3.48Å; E411-L415 PolarHBondContact O-N 3.43Å
412Q68.7Low58.7Low84 Ų84107.8 Ų107.839%0.39359%0.587SS.*Hα-helixtrans-62.8-38.5177.2-173.261.855.800111.3K408 T409 L415 D416K408-Q412 HydrophobicContact CD-CG 4.37Å; T409-Q412 PolarHBondContact O-N 3.26Å; Q412-L415 PolarHBondContact O-N 2.89Å; Q412-D416 PolarHBondContact NE2-OD1 3.34Å; Q412-D416 WeakPolarHBondContact O-CB 3.32Å; Q412-D416 PolarHBondContact O-N 3.27Å
413L64.4Low59.9Low91 Ų91105.4 Ų105.448%0.47657%0.573SS.*Hα-helixtrans-66.4-40178-144.9167.1000111.3T409 S410 E411 I417T409-L413 PolarHBondContact O-N 3.05Å; T409-L413 VanDerWaalsContact O-N 3.11Å; S410-L413 PolarHBondContact O-N 3.14Å; E411-L413 VanDerWaalsContact C-N 3.28Å; E411-L413 PolarHBondContact O-N 2.9Å; L413-I417 HydrophobicContact CD2-CD1 3.55Å; L413-I417 HydrophobicContact CD2-CG1 4.17Å; L413-I417 WeakPolarHBondContact O-CB 3.43Å; L413-I417 VanDerWaalsContact O-CG1 3.27Å; L413-I417 WeakPolarHBondContact O-CG1 3.45Å; L413-I417 PolarHBondContact O-N 2.88Å
414A70.4Confident61.3Low53 Ų5399.7 Ų99.744%0.43855%0.548SS..Hα-helixtrans-65.9-36.7173.500000112.8S410 E411 I417 T418S410-A414 WeakPolarHBondContact O-CB 3.43Å; S410-A414 PolarHBondContact O-N 3.48Å; E411-A414 PolarHBondContact O-N 3.48Å; A414-I417 PolarHBondContact O-N 3.48Å; A414-T418 WeakPolarHBondContact O-CB 3.19Å; A414-T418 PolarHBondContact O-N 3.29Å; A414-T418 PolarHBondContact O-OG1 3.43Å
415L76.7Confident62Low97 Ų9798.1 Ų98.151%0.50854%0.535SS..Hα-helixtrans-72.7-41.4179.3-151.7148.7000111.3E411 Q412 I417 T418 N419E411-L415 WeakPolarHBondContact O-CB 3.48Å; E411-L415 PolarHBondContact O-N 3.43Å; Q412-L415 PolarHBondContact O-N 2.89Å; L415-I417 PolarHBondContact O-N 3.17Å; L415-T418 PolarHBondContact O-N 3.08Å; L415-N419 PolarHBondContact O-N 3.34Å; L415-N419 PolarHBondContact O-ND2 3.34Å
416D68Low63.2Low46 Ų4694.8 Ų94.825%0.24652%0.522CS..Hα-helixtrans-57.7-47170.3-69.1-6000111.2K408 Q412 T418 N419 I420K408-D416 IonicContact NZ-OD2 3.86Å; K408-D416 PolarHBondContact NZ-OD2 3.01Å; Q412-D416 PolarHBondContact NE2-OD1 3.34Å; Q412-D416 WeakPolarHBondContact O-CB 3.32Å; Q412-D416 PolarHBondContact O-N 3.27Å; D416-T418 PolarHBondContact O-N 3.26Å; D416-N419 PolarHBondContact O-N 3.31Å; D416-I420 WeakPolarHBondContact O-CG1 3.42Å; D416-I420 PolarHBondContact O-N 2.56Å; D416-I420 VanDerWaalsContact O-N 3.07Å
417I73.4Confident63.6Low82 Ų8286.3 Ų86.342%0.42150%0.496SS..Hα-helixtrans-60.6-43.3175.6-74.1168000111.5L413 A414 L415 N419 I420 I421L413-I417 HydrophobicContact CD2-CD1 3.55Å; L413-I417 HydrophobicContact CD2-CG1 4.17Å; L413-I417 WeakPolarHBondContact O-CB 3.43Å; L413-I417 VanDerWaalsContact O-CG1 3.27Å; L413-I417 WeakPolarHBondContact O-CG1 3.45Å; L413-I417 PolarHBondContact O-N 2.88Å; A414-I417 PolarHBondContact O-N 3.48Å; L415-I417 PolarHBondContact O-N 3.17Å; I417-N419 VanDerWaalsContact C-N 3.34Å; I417-N419 PolarHBondContact O-N 3.3Å; I417-I420 PolarHBondContact O-N 3.36Å; I417-I421 HydrophobicContact CG2-CD1 3.7Å; I417-I421 HydrophobicContact CG2-CG1 4.36Å; I417-I421 WeakPolarHBondContact O-CG1 3.45Å; I417-I421 PolarHBondContact O-N 2.59Å
418T77.8Confident63.6Low79 Ų7984 Ų8449%0.48547%0.474SS..Hα-helixtrans-64.4-39.1-178.7-59.20000111.7A414 L415 D416 I421 S422A414-T418 WeakPolarHBondContact O-CB 3.19Å; A414-T418 PolarHBondContact O-N 3.29Å; A414-T418 PolarHBondContact O-OG1 3.43Å; L415-T418 PolarHBondContact O-N 3.08Å; D416-T418 PolarHBondContact O-N 3.26Å; T418-I421 PolarHBondContact O-N 3.25Å; T418-S422 WeakPolarHBondContact O-CB 3.45Å; T418-S422 PolarHBondContact O-N 3.3Å; T418-S422 PolarHBondContact O-OG 2.96Å
419N73.4Confident63.2Low97 Ų9781.3 Ų81.352%0.51947%0.472SS..Hα-helixtrans-66.2-41.2174.4-72.6-27.2000112.1L415 D416 I417 S422 S423L415-N419 PolarHBondContact O-N 3.34Å; L415-N419 PolarHBondContact O-ND2 3.34Å; D416-N419 PolarHBondContact O-N 3.31Å; I417-N419 VanDerWaalsContact C-N 3.34Å; I417-N419 PolarHBondContact O-N 3.3Å; N419-S422 PolarHBondContact O-N 2.85Å; N419-S423 WeakPolarHBondContact O-CB 3.37Å; N419-S423 PolarHBondContact O-N 3.1Å
420I70.8Confident61.7Low98 Ų9883.4 Ų83.450%0.50348%0.479SS..Hα-helixtrans-62.6-47175.3-69.3164.6000110.9D416 I417 S422 S423 I424D416-I420 WeakPolarHBondContact O-CG1 3.42Å; D416-I420 PolarHBondContact O-N 2.56Å; D416-I420 VanDerWaalsContact O-N 3.07Å; I417-I420 PolarHBondContact O-N 3.36Å; I420-S422 VanDerWaalsContact C-N 3.32Å; I420-S422 PolarHBondContact O-N 3.43Å; I420-S423 PolarHBondContact O-N 3.46Å; I420-I424 HydrophobicContact CG2-CD1 3.74Å; I420-I424 VanDerWaalsContact O-CG1 3.3Å; I420-I424 WeakPolarHBondContact O-CG1 3.47Å; I420-I424 PolarHBondContact O-N 3.44Å
421I68.9Low60.7Low79 Ų7983.9 Ų83.941%0.40547%0.47SS..Hα-helixtrans-60.8-42.3177.4-69.7170.6000110.9F227 I417 T418 I424 A425F227-I421 HydrophobicContact CE2-CD1 4.02Å; I417-I421 HydrophobicContact CG2-CD1 3.7Å; I417-I421 HydrophobicContact CG2-CG1 4.36Å; I417-I421 WeakPolarHBondContact O-CG1 3.45Å; I417-I421 PolarHBondContact O-N 2.59Å; T418-I421 PolarHBondContact O-N 3.25Å; I421-I424 PolarHBondContact O-N 2.92Å; I421-A425 WeakPolarHBondContact O-CB 3.49Å; I421-A425 PolarHBondContact O-N 3.08Å
422S69.5Low59.3Low62 Ų6280.4 Ų80.443%0.43447%0.468SS..Hα-helixtrans-64-42.8178.6-58.60000112.2T418 N419 I420 I424 A425 T426T418-S422 WeakPolarHBondContact O-CB 3.45Å; T418-S422 PolarHBondContact O-N 3.3Å; T418-S422 PolarHBondContact O-OG 2.96Å; N419-S422 PolarHBondContact O-N 2.85Å; I420-S422 VanDerWaalsContact C-N 3.32Å; I420-S422 PolarHBondContact O-N 3.43Å; S422-I424 PolarHBondContact O-N 3.28Å; S422-A425 WeakPolarHBondContact O-CB 3.18Å; S422-A425 PolarHBondContact O-N 3.31Å; S422-A425 VanDerWaalsContact O-N 3.17Å; S422-T426 PolarHBondContact O-N 3.1Å; S422-T426 PolarHBondContact O-OG1 3.34Å
423S62.1Low57.5Low75 Ų7584 Ų8452%0.52449%0.489SS..Hα-helixtrans-63.4-38.7175.2-174.60000112.8N419 I420 A425 T426 S427N419-S423 WeakPolarHBondContact O-CB 3.37Å; N419-S423 PolarHBondContact O-N 3.1Å; I420-S423 PolarHBondContact O-N 3.46Å; S423-A425 VanDerWaalsContact C-N 3.31Å; S423-A425 PolarHBondContact O-N 3.32Å; S423-T426 PolarHBondContact O-OG1 3.44Å; S423-T426 VanDerWaalsContact O-OG1 3.11Å; S423-S427 WeakPolarHBondContact O-CB 3.34Å; S423-S427 PolarHBondContact O-N 3.16Å; S423-S427 VanDerWaalsContact O-N 3.13Å; S423-S427 PolarHBondContact O-OG 3.49Å
424I58.9Low56Low70 Ų7083.5 Ų83.536%0.35949%0.493SS..Hα-helixtrans-70.1-27.7174.7-67.6167.6000111.7I420 I421 S422 S427 R428I420-I424 HydrophobicContact CG2-CD1 3.74Å; I420-I424 VanDerWaalsContact O-CG1 3.3Å; I420-I424 WeakPolarHBondContact O-CG1 3.47Å; I420-I424 PolarHBondContact O-N 3.44Å; I421-I424 PolarHBondContact O-N 2.92Å; S422-I424 PolarHBondContact O-N 3.28Å; I424-S427 WeakPolarHBondContact CA-OG 3.41Å; I424-S427 PolarHBondContact O-OG 2.82Å; I424-R428 WeakPolarHBondContact O-CB 3.4Å; I424-R428 WeakPolarHBondContact O-CD 3.24Å; I424-R428 VanDerWaalsContact O-CG 3.25Å; I424-R428 WeakPolarHBondContact O-CG 3.45Å; I424-R428 PolarHBondContact O-N 2.81Å
425A47.5Very low54.3Low62 Ų6289.7 Ų89.751%0.51251%0.51SS..Hα-helixtrans-75.2-44.2174.800000112.3I421 S422 S423 S429I421-A425 WeakPolarHBondContact O-CB 3.49Å; I421-A425 PolarHBondContact O-N 3.08Å; S422-A425 WeakPolarHBondContact O-CB 3.18Å; S422-A425 PolarHBondContact O-N 3.31Å; S422-A425 VanDerWaalsContact O-N 3.17Å; S423-A425 VanDerWaalsContact C-N 3.31Å; S423-A425 PolarHBondContact O-N 3.32Å; A425-S429 PolarHBondContact O-N 2.88Å
426T56.9Low52.1Low92 Ų9293.8 Ų93.856%0.56453%0.527SS*.Hα-helixtrans-68.3-43.4-179.650.70000112.6S422 S423 R428 S429S422-T426 PolarHBondContact O-N 3.1Å; S422-T426 PolarHBondContact O-OG1 3.34Å; S423-T426 PolarHBondContact O-OG1 3.44Å; S423-T426 VanDerWaalsContact O-OG1 3.11Å; T426-R428 PolarHBondContact O-N 2.95Å; T426-S429 WeakPolarHBondContact O-CB 3.06Å; T426-S429 PolarHBondContact O-N 3.27Å; T426-S429 VanDerWaalsContact O-N 3.16Å
427S44.5Very low50.2Low52 Ų5297.3 Ų97.336%0.36455%0.55SS..Hα-helixtrans-58-45.8174.745.70000112.3S423 I424 S429 L430 E431S423-S427 WeakPolarHBondContact O-CB 3.34Å; S423-S427 PolarHBondContact O-N 3.16Å; S423-S427 VanDerWaalsContact O-N 3.13Å; S423-S427 PolarHBondContact O-OG 3.49Å; I424-S427 WeakPolarHBondContact CA-OG 3.41Å; I424-S427 PolarHBondContact O-OG 2.82Å; S427-S429 PolarHBondContact O-N 3.08Å; S427-L430 PolarHBondContact O-N 3.35Å; S427-E431 PolarHBondContact O-N 2.97Å; S427-E431 VanDerWaalsContact O-N 3.15Å
428R39.2Very low48.2Very low71 Ų71102 Ų10227%0.26857%0.57SS.*Hα-helixtrans-63.7-22.8177.3-76.6177.3174.3157.75.5114.6P223 I424 T426 L430 A432P223-R428 PolarHBondContact O-NH1 2.82Å; P223-R428 VanDerWaalsContact O-NH1 3.11Å; P223-R428 PolarHBondContact O-NH2 3.21Å; I424-R428 WeakPolarHBondContact O-CB 3.4Å; I424-R428 WeakPolarHBondContact O-CD 3.24Å; I424-R428 VanDerWaalsContact O-CG 3.25Å; I424-R428 WeakPolarHBondContact O-CG 3.45Å; I424-R428 PolarHBondContact O-N 2.81Å; T426-R428 PolarHBondContact O-N 2.95Å; R428-L430 VanDerWaalsContact C-N 3.27Å; R428-L430 PolarHBondContact O-N 2.82Å; R428-A432 WeakPolarHBondContact O-CB 3.06Å; R428-A432 PolarHBondContact O-N 2.85Å; R428-A432 VanDerWaalsContact O-N 3.08Å
429S42Very low46.2Very low77 Ų77106 Ų10654%0.53859%0.588SS.*Hα-helixtrans-74.4-16.2174.5-164.40000113.5A425 T426 S427A425-S429 PolarHBondContact O-N 2.88Å; T426-S429 WeakPolarHBondContact O-CB 3.06Å; T426-S429 PolarHBondContact O-N 3.27Å; T426-S429 VanDerWaalsContact O-N 3.16Å; S427-S429 PolarHBondContact O-N 3.08Å
430L38.2Very low44.2Very low131 Ų131108.5 Ų108.569%0.68660%0.601SS**Hα-helixtrans-93.2-42.1170-88.370.6000111.3S427 R428 A432 L433 S434S427-L430 PolarHBondContact O-N 3.35Å; R428-L430 VanDerWaalsContact C-N 3.27Å; R428-L430 PolarHBondContact O-N 2.82Å; L430-A432 VanDerWaalsContact C-N 3.3Å; L430-A432 PolarHBondContact O-N 3.35Å; L430-L433 PolarHBondContact O-N 3.19Å; L430-L433 VanDerWaalsContact O-N 3.16Å; L430-S434 PolarHBondContact O-OG 2.85Å
431E36.7Very low42.2Very low111 Ų111111.5 Ų111.552%0.51962%0.618SS.*Hα-helixtrans-62.1-36.8179.1-66.1178.8155.300112.4S427 L433 S434S427-E431 PolarHBondContact O-N 2.97Å; S427-E431 VanDerWaalsContact O-N 3.15Å; E431-L433 PolarHBondContact O-N 2.97Å; E431-L433 VanDerWaalsContact O-N 3.17Å; E431-S434 WeakPolarHBondContact CA-OG 3.38Å; E431-S434 PolarHBondContact O-N 3.18Å; E431-S434 PolarHBondContact O-OG 3.24Å
432A36.9Very low40.3Very low80 Ų80112.5 Ų112.566%0.66163%0.631SS**THydrogen-bonded Turntrans-69.3-7.2177.900000114.9R428 L430R428-A432 WeakPolarHBondContact O-CB 3.06Å; R428-A432 PolarHBondContact O-N 2.85Å; R428-A432 VanDerWaalsContact O-N 3.08Å; L430-A432 VanDerWaalsContact C-N 3.3Å; L430-A432 PolarHBondContact O-N 3.35Å
433L32.5Very low38.5Very low159 Ų159115.8 Ų115.883%0.83264%0.638SS**THydrogen-bonded Turntrans-110.96.9175.7-68.6173.4000113.1L430 E431L430-L433 PolarHBondContact O-N 3.19Å; L430-L433 VanDerWaalsContact O-N 3.16Å; E431-L433 PolarHBondContact O-N 2.97Å; E431-L433 VanDerWaalsContact O-N 3.17Å
434S32Very low36.8Very low81 Ų81118.6 Ų118.657%0.56665%0.652SS**THydrogen-bonded Turntrans-127.61.6-175.243.20000114.7L430 E431L430-S434 PolarHBondContact O-OG 2.85Å; E431-S434 WeakPolarHBondContact CA-OG 3.38Å; E431-S434 PolarHBondContact O-N 3.18Å; E431-S434 PolarHBondContact O-OG 3.24Å
435F34Very low35.4Very low182 Ų182122.7 Ų122.780%0.79867%0.673SS**  trans-124.956.8178.6-89.4-83.7000113.2
436E30.2Very low34.4Very low184 Ų184124.7 Ų124.786%0.8668%0.683SS**SBendtrans-128.911.6173.1-148.8166.7-144.600114.1
437T29.7Very low33.2Very low119 Ų119127.4 Ų127.473%0.7370%0.7SS**SBendtrans-146.457.5176.658.50000113.9
438Q31.7Very low32.6Very low180 Ų180132.8 Ų132.884%0.84172%0.719SS**SBendtrans-173.184.2162.5-114165.977.700112.7
439L34Very low32Very low164 Ų164136.7 Ų136.786%0.85974%0.742SS**SBendtrans-177-18.7150.8-108.2162.2000115.4
440D31.4Very low31.4Very low150 Ų150137.8 Ų137.880%0.80275%0.75SS**SBendtrans-97.9-8.8-172.7-69.4-53.1000115.6C442D440-C442 PolarHBondContact O-N 3.27Å
441D29Very low31Very low161 Ų161138.2 Ų138.286%0.86175%0.753SS**  trans-77.642.5179.7-71.1-51000114.3
442C29.4Very low30.7Very low100 Ų100137.7 Ų137.768%0.67676%0.76SS**SBendtrans-144.5127.4171.1-128.70000110.5D440D440-C442 PolarHBondContact O-N 3.27Å
443F31.7Very low30.4Very low130 Ų130140.4 Ų140.457%0.5776%0.764SS**SBendtrans75.961.5-175.3-52-83.4000117.3H55H55-F443 AromaticContact CE1-CE1 3.58Å; H55-F443 AromaticContact CE1-CZ 3.45Å; H55-F443 VanDerWaalsContact CE1-CZ 3.45Å; H55-F443 WeakPolarHBondContact CE1-CZ 3.43Å; H55-F443 AromaticContact ND1-CE1 3.95Å; H55-F443 AromaticContact NE2-CZ 3.63Å
444T26.1Very low30.4Very low135 Ų135141.9 Ų141.983%0.82876%0.763SS**  trans-146.6162.4145.9-71.40000108.2
445I29.6Very low30.4Very low156 Ų156147.5 Ų147.580%0.878%0.778SS**  trans71.396.6-165.3-48.8172000110.2
446S27.7Very low30.5Very low103 Ų103143.4 Ų143.472%0.7277%0.769SS**  cis71.7108.743.1-160.70000114.2
447T31Very low30.6Very low149 Ų149140.9 Ų140.991%0.91476%0.762SS**  trans-123.990.8169.1480000110
448H31.4Very low30.7Very low165 Ų165141.1 Ų141.176%0.76476%0.758SS**  trans-99.8102.7172.4-174.2-82.3000110.5
449M25.9Very low30.7Very low153 Ų153137 Ų13775%0.75475%0.745SS**  trans47139.1151.2-58.5-98.664.900121.3
450S30.1Very low30.6Very low101 Ų101132.3 Ų132.371%0.70672%0.718SS**  trans105.599.5135.7-147.80000120.2
451N29.7Very low30.6Very low139 Ų139132.9 Ų132.974%0.74372%0.716SS**  96.4142.6124.4-109.8-27.1000123.9
452C31.2Very low30.8Very low101 Ų101131.5 Ų131.568%0.68271%0.709SS**  trans69.3143.7153.4-70.50000120.8
453N29.5Very low31.1Very low136 Ų136131.8 Ų131.873%0.72771%0.709SS**  cis-169.9162.9-28-129.7-43.8000111.9
454K32.8Very low31Very low191 Ų191136.2 Ų136.283%0.8372%0.723SS**  trans73116.9173.6-54.4165.4-177.3176.20115.6
455K31.7Very low31.2Very low198 Ų198136.2 Ų136.286%0.86171%0.713SS**  64.9147.255.6-101.5-169.3177.5-174.40114.3
456P35.8Very low31.1Very low96 Ų96136.4 Ų136.462%0.62371%0.708SS**  cis-145.7174.713.144.2-25.3000120.1
457N32.7Very low31.2Very low132 Ų132138.9 Ų138.971%0.70671%0.713SS**  trans70.6153.8145.2-68.7-0.6000122.9
458L31.8Very low31Very low124 Ų124142.5 Ų142.565%0.64971%0.709SS**  cis-173.5177-31-150.877.9000110.7
459V32.9Very low31Very low94 Ų94140.6 Ų140.657%0.5771%0.709SS**  trans80.5114.7167.5-167.20000114.6
460E30.2Very low31Very low64 Ų64138.6 Ų138.630%0.29971%0.71SS.*  78.5133.861.5-147.7144-130.800111.6S359 P360 S361S359-E460 WeakPolarHBondContact CB-OE1 3.28Å; S359-E460 PolarHBondContact N-OE1 3.02Å; S359-E460 PolarHBondContact OG-OE1 2.74Å; P360-E460 VanDerWaalsContact CD-CA 3.4Å; P360-E460 VanDerWaalsContact CD-CG 3.42Å; P360-E460 WeakPolarHBondContact CD-OE1 3.45Å; P360-E460 HydrophobicContact CG-CB 4.01Å; P360-E460 HydrophobicContact CG-CG 3.83Å; S361-E460 PolarHBondContact O-N 3.4Å
461E33.4Very low31.1Very low162 Ų162139 Ų13976%0.75771%0.713SS**  cis-154178.226.9-159.2172.2-136.800112.9
462N33.1Very low31Very low132 Ų132140.4 Ų140.471%0.70672%0.717SS**  trans-163.1128.2178.7178.3-11.1000113.3
463P35.7Very low30.9Very low106 Ų106143 Ų14369%0.68872%0.723SS**  trans-148.4140.2139.435.9-18.6000118.4
464R29.3Very low30.8Very low224 Ų224140.4 Ų140.485%0.84572%0.716SS**  trans19.6136.9134.6-46.4172.4176.9170-0.4120.3
465E30.2Very low30.7Very low134 Ų134142.5 Ų142.563%0.62672%0.719SS**  172.5137.491.7-91-149.514100116.7
466K27.5Very low30.5Very low161 Ų161137.9 Ų137.970%0.771%0.712SS**  trans65.1165.6142.4-66.5171.7-177.4146.90121.7
467L30.3Very low30.2Very low155 Ų155137.3 Ų137.381%0.81271%0.71SS**  trans71.5122174-52.9176.3000115.2
468R26.1Very low29.9Very low224 Ų224137.3 Ų137.385%0.84571%0.71SS**  cis93152.330.3-164.4-178.8-162.5168.45.6112.3
469V31.9Very low29.8Very low126 Ų126138 Ų13876%0.76471%0.707SS**  trans81.4117.5-166.5-1710000110.5
470S26.2Very low29.6Very low111 Ų111137.4 Ų137.478%0.77671%0.713SS**  cis90.269.524.2-48.30000116
471S30.8Very low29.7Very low110 Ų110139.2 Ų139.277%0.76973%0.732SS**  trans-145115.1154.350.90000108.4
472M27.4Very low29.4Very low167 Ų167138.3 Ų138.382%0.82374%0.738SS**  79.1136.261.6-83.5-155.8165.300113.4
473L29.2Very low29.3Very low155 Ų155135.1 Ų135.181%0.81274%0.736SS**  trans67.7155.6162.3-58.1156000114.2
474S27.3Very low29Very low83 Ų83137.3 Ų137.358%0.5874%0.742SS**  cis-167.1163.5-23.7-112.40000110
475R31.6Very low29.3Very low234 Ų234131.4 Ų131.488%0.88374%0.735SS**  trans59.1118.4153-69.4166.6177.1175.1-3.4116.7
476S27.5Very low29.4Very low102 Ų102131.7 Ų131.771%0.71374%0.74SS**  95.6140.450.81790000112.9
477S28.3Very low29.6Very low83 Ų83132.8 Ų132.858%0.5875%0.745SS**  trans66.1101.9147.649.50000120.4
478N28.2Very low29.8Very low132 Ų132130.6 Ų130.671%0.70673%0.734SS**  91.5107.1110.2-67-20.7000121.5
479K28.9Very low30.1Very low138 Ų138129.3 Ų129.360%0.674%0.735SS**  72125.6114.2-70.6179.2171.1179.30120.6S811K479-S811 PolarHBondContact NZ-OG 2.98Å
480A29.3Very low30.2Very low83 Ų83127.3 Ų127.369%0.68672%0.723SS**  72159.7125.500000118.3
481S30.8Very low30.7Very low101 Ų101128.4 Ų128.471%0.70672%0.719SS**  cis179.7142.4-27.5560000108.5
482T28.7Very low30.6Very low144 Ų144131.9 Ų131.988%0.88372%0.715SS**  trans-169.8142147.711.90000113
483G29.5Very low30.9Very low64 Ų64131.3 Ų131.366%0.6671%0.708SS**  trans71.5152.8143.500000120.5
484D30.2Very low31Very low153 Ų153127.4 Ų127.482%0.81870%0.698SS**  cis-164.7176.4-19.2-121.1-46.5000111.4
485S35.3Very low31.3Very low100 Ų100131.5 Ų131.570%0.69971%0.707SS**  trans72.8105174.3-152.80000115.5
486L32.2Very low31.4Very low139 Ų139127 Ų12773%0.72871%0.706SS**  73105.761.2-61.8166.6000114.6
487F31.2Very low31.5Very low185 Ų185127.7 Ų127.781%0.81171%0.706SS**  -163.2146102.2-123.7-110.7000115.1
488N34.5Very low31.7Very low108 Ų108130.3 Ų130.358%0.57871%0.713SS**  trans-35.4165.1170.5-53.1-76.8000117.9
489K33.8Very low32Very low198 Ų198130.4 Ų130.486%0.86171%0.714SS**  cis-142146.426.6-104.1166.9174.5175.40109.1
490V33.3Very low32.3Very low84 Ų84128.2 Ų128.251%0.50971%0.714SS.*  cis74.5125.238-1730000111.3
491I35.7Very low32.4Very low134 Ų134131.6 Ų131.669%0.68772%0.72SS**  -141.3125.954.3-57.8-90000109.6
492R30.5Very low32.7Very low183 Ų183136.2 Ų136.269%0.69173%0.728SS**  57.2154.587.4-46.7177.3-172.9160.6-0.4116.9
493F32.7Very low32.9Very low155 Ų155136.4 Ų136.468%0.6872%0.722SS**  cis-132.61635.2-68.4-99.7000109.8
494A31.6Very low32.9Very low72 Ų72142 Ų14260%0.59573%0.728SS**  cis102.4142.8900000117.5
495H32.9Very low32.8Very low169 Ų169143.4 Ų143.478%0.78272%0.722SS**  trans70.7161.3-178.8-41.6-80.3000115.1
496V33.3Very low32.4Very low140 Ų140144.3 Ų144.385%0.84872%0.723SS**  cis-134-178.55.8-154.10000110
497T31.6Very low32.1Very low117 Ų117146.7 Ų146.772%0.71873%0.728SS**  trans-118.2179.3172.273.30000110.8
498D32.1Very low31.8Very low137 Ų137141.9 Ų141.973%0.73372%0.717SS**  cis-137.7-148.112.7-127.3-70.1000110.6
499D34.7Very low31.6Very low134 Ų134144.9 Ų144.972%0.71773%0.728SS**  cis-142.1155.813.7147.590.6000110.9N501D499-N501 PolarHBondContact OD2-N 3.01Å
500P33.9Very low31.4Very low92 Ų92146.6 Ų146.660%0.59773%0.728SS**  trans-113.896.1174.338.5-27.2000115.1
501N31.4Very low31.3Very low154 Ų154152 Ų15282%0.82475%0.745SS**  174.4104.5128.4-96.8-63.8000114.5D499D499-N501 PolarHBondContact OD2-N 3.01Å
502K37.7Very low31.2Very low199 Ų199153.6 Ų153.687%0.86575%0.75SS**  trans-155.6111.6159.3-115.8158-170.7169.40116.5
503I33.7Very low31.3Very low148 Ų148150.9 Ų150.976%0.75975%0.753SS**  trans49.5109.3137.2-52.9178.4000120
504K28.4Very low31.2Very low181 Ų181150.3 Ų150.379%0.78776%0.756SS**  trans20.2134.6137-68.1173179.9165.80121.3
505R28Very low31.1Very low183 Ų183154.9 Ų154.969%0.69176%0.762SS**  trans89.6120.6141.2-81178.6172.9147.1-8.5120.2V1310R505-V1310 PolarHBondContact NH2-O 3.28Å; R505-V1310 VanDerWaalsContact NH2-O 3.12Å
506T26.4Very low30.9Very low118 Ų118154.4 Ų154.472%0.72476%0.76SS**  trans79.7138.4135.850.10000122.9
507F26.3Very low30.6Very low189 Ų189152.6 Ų152.683%0.82975%0.754SS**  trans72.8116.3156.8-79.3-66.6000122.1
508S26.3Very low30.4Very low84 Ų84152.4 Ų152.459%0.58776%0.758SS**  60.9137.8128.2-85.40000124.2
509H29.4Very low30.3Very low172 Ų172151.4 Ų151.480%0.79676%0.756SS**  trans55.3120.6152.1-55.3-59000120.2
510R29.5Very low30Very low233 Ų233155.1 Ų155.188%0.87976%0.762SS**  -166.5139.5103.9-101.3165.9-177.4171.31.1112.1
511K31.1Very low30.1Very low197 Ų197155.3 Ų155.386%0.85776%0.763SS**  trans-91.9156.4131.8-76.1-174.2171.5-170.40105.9
512H33.7Very low29.9Very low169 Ų169155.5 Ų155.578%0.78276%0.762SS**  trans-172.8140.5140.5-99.7-64.7000111.8
513T32.6Very low29.3Very low125 Ų125149.9 Ų149.977%0.76775%0.748SS**  trans-134.6103.6156.243.20000103.2
514I30.6Very low29Very low143 Ų143148.5 Ų148.573%0.73375%0.747SS**  92.5145.777.4-76.4164.1000110.6
515K30.4Very low29.1Very low169 Ų169149.4 Ų149.474%0.73575%0.745SS**  trans82.2112.5-166.6-55.1-147.2164-155.60113.6
516E27.3Very low29Very low158 Ų158148 Ų14874%0.73875%0.752SS**  86.5135.361.7-74.6156.6-175.400111.3
517S27.2Very low29Very low102 Ų102147 Ų14771%0.71375%0.749SS**  cis-164.4174.2-7.560.40000111.3
518S27.7Very low29.2Very low114 Ų114145.3 Ų145.380%0.79775%0.746SS**  trans67.9155.1170.880.80000116.9
519V29.5Very low29.4Very low116 Ų116147.4 Ų147.470%0.70376%0.758SS**  cis-155.2122-17.1122.20000105.1
520Y29.9Very low29.4Very low211 Ų211143.9 Ų143.983%0.82775%0.752SS**  62.6156.591.6-83.7-66.8000115.6
521P34.7Very low29.4Very low97 Ų97138.9 Ų138.963%0.6375%0.747SS**  cis-137.1-159.4-6.426.70000114.4
522I26.6Very low29.1Very low157 Ų157136.8 Ų136.881%0.80574%0.741SS**  trans78.6138158.6-51.7179.4000117.3
523S26.2Very low28.8Very low82 Ų82134.2 Ų134.257%0.57373%0.732SS**  -179.1135.3-6052.60000111
524T27.3Very low28.5Very low118 Ų118136.4 Ų136.472%0.72473%0.731SS**  trans67.9159.4160.9-38.30000111.1
525W29.5Very low28.4Very low200 Ų200135.7 Ų135.776%0.75873%0.734SS**  cis-146131.740.6-87.260.1000113.1
526N27.8Very low28.2Very low154 Ų154133.5 Ų133.582%0.82473%0.734SS**  -86.8126.3126.7-69.9-37.9000107.5
527S26.2Very low28.4Very low96 Ų96135 Ų13567%0.67174%0.741SS**  trans173.2153.2140.4-79.40000110.7
528M30.9Very low28.5Very low155 Ų155136 Ų13676%0.76474%0.743SS**  trans-75.4166176.8-69.5175.561.200112.5
529P29Very low29.1Very low128 Ų128135.8 Ų135.883%0.83174%0.739SS**  -119.6163.6119.935.7-34000112.9
530S30.4Very low29.2Very low97 Ų97134.9 Ų134.968%0.67874%0.736SS**  trans-126.2136177.3171.10000109.5
531V28.3Very low29.3Very low129 Ų129133.1 Ų133.178%0.78274%0.735SS**  trans-149.7125159.5166.70000109.3
532E25.6Very low28.9Very low153 Ų153137 Ų13772%0.71574%0.742SS**  trans22.3127.4149.7-47.6177.6179.700119.7
533N28.2Very low28.9Very low114 Ų114134.2 Ų134.261%0.6173%0.733SS**  -155.7169.457.5-100.6-80.1000115.4
534K25.8Very low28.8Very low171 Ų171137.3 Ų137.374%0.74374%0.743SS**  trans-37.9151.2169.9-49.4119.2-171156.50113
535T27.4Very low28.6Very low129 Ų129135.7 Ų135.779%0.79174%0.736SS**  cis-153.3136.439.9-50.10000114.6
536V26.4Very low28.3Very low123 Ų123131.2 Ų131.275%0.74573%0.734SS**  trans-22.7123.7152-179.30000115.6
537Q32.4Very low28.2Very low189 Ų189129.8 Ų129.888%0.88373%0.731SS**  -165.1115.3123.5-110.3173.610.800114.2
538T30.1Very low28.4Very low122 Ų122130.6 Ų130.675%0.74874%0.737SS**  trans-96.4174.6157.948.30000110.3
539P40Very low28.2Very low111 Ų111127.7 Ų127.772%0.72173%0.727SS**  cis-102.7-78.2-21.812.68.8000110.5
540P31.7Very low28.1Very low97 Ų97131.2 Ų131.263%0.6373%0.726SS**  cis-85.6-179.1-24.338.4-35.2000112.7F542P540-F542 HydrophobicContact CB-CD2 4.26Å; P540-F542 HydrophobicContact CB-CE2 4.21Å; P540-F542 HydrophobicContact CG-CD2 4.2Å; P540-F542 HydrophobicContact CG-CE2 4.26Å
541Q30.2Very low27.9Very low173 Ų173129.7 Ų129.781%0.80873%0.725SS**  trans-112.6144.5150.9-71.2174.3-17.400107.6
542F27.4Very low27.8Very low179 Ų179130.2 Ų130.279%0.78572%0.719SS**  trans-128.9127.8157.4-83.7-97.9000103.7P540P540-F542 HydrophobicContact CB-CD2 4.26Å; P540-F542 HydrophobicContact CB-CE2 4.21Å; P540-F542 HydrophobicContact CG-CD2 4.2Å; P540-F542 HydrophobicContact CG-CE2 4.26Å
543T26.5Very low27.7Very low99 Ų99128.4 Ų128.461%0.60771%0.714SS**  cis4189.636.770.40000110
544D24.9Very low27.5Very low146 Ų146130.4 Ų130.478%0.78172%0.724SS**  -151175.371.6-126-68.2000117.7
545S23.1Very low27.4Very low84 Ų84127.6 Ų127.659%0.58772%0.724SS**  trans-66.1176.4176.461.70000115.4
546C23Very low27.2Very low106 Ų106125.9 Ų125.972%0.71672%0.718SS**  trans77.3129.8149.3-690000120.6
547V25Very low27.2Very low124 Ų124128.2 Ų128.275%0.75272%0.721SS**  trans69.9123.3140173.50000116V549V547-V549 HydrophobicContact CB-CG2 4.14Å; V547-V549 HydrophobicContact CG1-CB 4.34Å; V547-V549 HydrophobicContact CG1-CG2 3.78Å; V547-V549 HydrophobicContact CG2-CG2 3.78Å
548S29.6Very low26.8Very low114 Ų114124.4 Ų124.480%0.79772%0.715SS**  cis-114.5151.632.944.50000115.9
549V27.3Very low26.7Very low93 Ų93125.8 Ų125.856%0.56471%0.713SS**  cis107.5103.818.5162.50000113.7V547V547-V549 HydrophobicContact CB-CG2 4.14Å; V547-V549 HydrophobicContact CG1-CB 4.34Å; V547-V549 HydrophobicContact CG1-CG2 3.78Å; V547-V549 HydrophobicContact CG2-CG2 3.78Å
550Y26.1Very low26.1Very low203 Ų203127.6 Ų127.680%0.79671%0.712SS**  trans64.5159.6154.4-67.6-130.3000116.7
551G27.1Very low25.8Very low64 Ų64129.9 Ų129.966%0.6671%0.714SS**  cis-124.5152.6-10.400000110.1
552Q25.7Very low25.6Very low140 Ų140127.4 Ų127.465%0.65471%0.706SS**  70.5113.663.7-73.2-162.7-96.100114.7
553D23.8Very low25.5Very low116 Ų116125.7 Ų125.762%0.6271%0.705SS**  66.3118.4123.1-54.1-27000122.3
554L23.9Very low25.5Very low156 Ų156127.4 Ų127.482%0.81772%0.715SS**  71.4145.7128.5-63172000121.3
555C22.8Very low25.7Very low111 Ų111126.6 Ų126.675%0.7572%0.715SS**  trans66.3115.2149-74.40000121.1
556S24.2Very low25.8Very low94 Ų94128.1 Ų128.166%0.65773%0.726SS**  93.5124.2122.7-64.70000121.2
557Q25.3Very low26Very low171 Ų171130.2 Ų130.280%0.79973%0.73SS**  trans67104.4133-65.7173.4-20.200120.1
558S25.2Very low26Very low110 Ų110130.3 Ų130.377%0.76973%0.731SS**  76.2156.112580.10000118.2
559Q28Very low25.8Very low151 Ų151132.9 Ų132.971%0.70674%0.735SS**  cis-155145.6-3.6-138.617513.500109.9
560Q26.6Very low25.7Very low149 Ų149136.1 Ų136.170%0.69674%0.744SS**  trans63.1157.9162-67.7155.6-000116.3
561H26.9Very low25.8Very low144 Ų144135.7 Ų135.767%0.66774%0.742SS**  cis-136.5143.210.6-109.5-64.7000113
562N25.4Very low25.8Very low121 Ų121138.2 Ų138.265%0.64774%0.741SS**  trans53.9115143.6-594.8000122.7
563N26Very low25.9Very low143 Ų143134.6 Ų134.677%0.76574%0.741SS**  trans93.8141.7134.9-63.9-10.4000122.2
564V25.6Very low26Very low135 Ų135139.2 Ų139.282%0.81875%0.751SS**  trans76.4131.7166.1-139.80000118.7
565V29.1Very low26Very low130 Ų130139.7 Ų139.779%0.78874%0.742SS**  trans63.1106.8171-1620000118.6
566S25.2Very low26.6Very low116 Ų116143.7 Ų143.781%0.81175%0.747SS**  trans-165163.2136.7-89.20000112.3
567N26.8Very low26.9Very low150 Ų150145.2 Ų145.280%0.80275%0.754SS**  trans-68.4174.1170.2-51-57.7000109.6
568T25.1Very low27.1Very low126 Ų126141 Ų14177%0.77374%0.738SS**  cis-171.5161.238.5-360000108.8
569L25.4Very low27.5Very low168 Ų168142.4 Ų142.488%0.8874%0.742SS**  trans-154.6135.6159.2-114.9167.3000112.2
570E26.3Very low27.5Very low160 Ų160143.7 Ų143.775%0.74875%0.745SS**  trans-110.1179.3170.2-62.2-171.4126.500110.6
571Y26.6Very low27.8Very low194 Ų194143.7 Ų143.776%0.76175%0.75SS**  129126.9123-138.7-128.5000118.1
572N28.8Very low27.8Very low118 Ų118142.5 Ų142.563%0.63175%0.753SS**  trans63.4156.5161.7-68-12.8000121.5
573G26.7Very low27.8Very low63 Ų63147.3 Ų147.365%0.64976%0.763SS**  cis171.7173.4-9.800000116.1
574Y26.7Very low27.8Very low214 Ų214151.9 Ų151.984%0.83977%0.77SS**  trans89.182.8159.5-63.3-77.9000125.1
575R23.9Very low27.8Very low165 Ų165152.8 Ų152.862%0.62377%0.769SS**  47.3138.7112.8-173.7165.7-73.2-179-4.9125.2S1237 L1238R575-S1237 PolarHBondContact NH1-OG 3.33Å; R575-S1237 PolarHBondContact NH2-O 3.26Å; R575-L1238 PolarHBondContact NH1-O 3.12Å; R575-L1238 PolarHBondContact NH2-O 2.66Å
576F34.7Very low27.7Very low196 Ų196154 Ų15486%0.8677%0.77SS**  trans-93.2164.7168.5-90.4-99.3000116
577P29.8Very low27.7Very low125 Ų125154.7 Ų154.781%0.81276%0.764SS**  trans-109179.7154.338.4-28.8000114.5
578N29.7Very low27.6Very low83 Ų83154.5 Ų154.544%0.44476%0.763SS.*  trans-155.6151.9-161.9-174.85.4000113.1
579T34Very low27.7Very low140 Ų140155.5 Ų155.586%0.85976%0.758SS**  trans-162.5176.4166.2-5.30000114.3
580K29Very low27.8Very low177 Ų177154.7 Ų154.777%0.7775%0.748SS**  trans-128.5178.8-153.2-57.6176.4178.8176.90115.6
581N32Very low27.9Very low149 Ų149151.9 Ų151.980%0.79774%0.738SS**  trans97.1154.8159.2-55.7-17.4000117.2
582T27.8Very low28.1Very low119 Ų119148.1 Ų148.173%0.7373%0.731SS**  cis-164.4157.8-27.2-86.60000109.2
583Y24Very low28.3Very low222 Ų222150.9 Ų150.987%0.87174%0.738SS**  trans-48.3145.3175.1-61.4-101.3000116.6
584R26.6Very low28.4Very low239 Ų239153.7 Ų153.790%0.90274%0.738SS**  -172.3160.5121.8-109.3172.7-179174.90114.3
585L26.2Very low28.5Very low155 Ų155151.1 Ų151.181%0.81273%0.733SS**  trans-83.2159.7158.3-71.471.6000108.9
586I26.5Very low28.8Very low154 Ų154147.2 Ų147.279%0.7974%0.736SS**  175.5151.8122.6-89.5155.4000111.6
587N24.3Very low28.4Very low131 Ų131148.4 Ų148.470%0.70174%0.735SS**  trans-60.3176.6-174.8-44.5-40.9000117.4
588L25.2Very low28.4Very low147 Ų147147.1 Ų147.177%0.7773%0.725SS**  trans73.2150.1156.8-60.5157.2000114.5
589Q27.3Very low28.4Very low146 Ų146150.4 Ų150.468%0.68274%0.738SS**  cis-144.5163-4.2-112.7163.4-107.100107.3
590K27Very low28.1Very low152 Ų152149.3 Ų149.366%0.66173%0.726SS**  41135.184.5-79.6-168.3125.5-67.70112.8D592K590-D592 IonicContact NZ-OD2 3.79Å
591D29.7Very low28.1Very low101 Ų101146.4 Ų146.454%0.5472%0.724SS.*  cis-164.116917.9-83.9-23000108.9
592D30.3Very low28Very low114 Ų114142.7 Ų142.761%0.6171%0.714SS**  cis-162-148.3-17.3-105-32.3000105.9K590K590-D592 IonicContact NZ-OD2 3.79Å
593F33.2Very low28.1Very low177 Ų177144.3 Ų144.378%0.77672%0.718SS**  trans80.7114.4164.3-56.4-70.1000117.3
594N29.4Very low28.3Very low121 Ų121137.8 Ų137.865%0.64771%0.705SS**  87.6146.763.1-75.729.1000111.5
595E28.6Very low28.4Very low160 Ų160131.3 Ų131.375%0.74869%0.692SS**  cis-157.9155.2-4-129.9172.8116.200110.6
596A28.9Very low28.7Very low83 Ų83131.6 Ų131.669%0.68669%0.689SS**  trans64.2177147.700000116.3
597R26.7Very low28.8Very low222 Ų222129.9 Ų129.984%0.83869%0.685SS**  cis-155.1160.8-7.9-144.9-179.1-157.7167.89.6109.6
598V29.4Very low28.9Very low97 Ų97128 Ų12859%0.58868%0.683SS**  trans55110.9136.3143.70000117.5
599Q29.7Very low29Very low153 Ų153127.2 Ų127.272%0.71568%0.684SS**  77.1151.6105.9-73.2-178.3-63.200114
600D29Very low29.1Very low116 Ų116125.7 Ų125.762%0.6269%0.687SS**  cis-150.6-168.6-2-127.4-31.4000112.2
601T28.3Very low29.4Very low117 Ų117123.5 Ų123.572%0.71868%0.68SS**  trans-12.9154.4148.775.50000116.9
602A30.4Very low29.4Very low71 Ų71124 Ų12459%0.58769%0.689SS**  cis-170.2174.929.800000112.3
603N29.5Very low29.3Very low153 Ų153121 Ų12182%0.81868%0.675SS**  trans51.7142.5132.2-62.9-6.2000121.4
604S28.3Very low29Very low85 Ų85117.9 Ų117.959%0.59468%0.675SS**  cis-174.5-173.7-5.7480000109.6
605T29.5Very low28.8Very low102 Ų102117.7 Ų117.763%0.62668%0.678SS**  trans58.7132.8142.353.80000120.2
606H32.3Very low28.6Very low161 Ų161115.1 Ų115.175%0.74568%0.678SS**  cis-173.8-176.5-10.3-107.4-22.5000108.3
607T27.8Very low28.5Very low118 Ų118119.6 Ų119.672%0.72468%0.684SS**  trans47.8102.314746.80000118.9
608S27.6Very low28.4Very low92 Ų92113.7 Ų113.764%0.64368%0.677SS**  78.7116.579.773.40000114.1
609T25.6Very low28.2Very low130 Ų130119.2 Ų119.280%0.79869%0.689SS**  76.3144.991.7-49.30000113.1
610P30.7Very low28Very low115 Ų115119.6 Ų119.675%0.74769%0.692SS**  cis-125.6-169.5-5.825.8-1.3000115.2
611M32.7Very low27.9Very low106 Ų106122.4 Ų122.452%0.52270%0.699SS.*  trans-55.8153165.6-71.4-69.2-58.800115.2V613 T757M611-V613 HydrophobicContact CB-CG2 4.29Å; M611-V613 HydrophobicContact CE-CG2 4.3Å; M611-T757 HydrophobicContact CE-CG2 3.8Å
612P29.8Very low27.8Very low111 Ų111123.9 Ų123.972%0.72170%0.7SS**  -126.8154.211337.3-32.1000111.6
613V27.2Very low28Very low52 Ų52125.5 Ų125.532%0.31570%0.704SS.*  cis76.682.520.6-169.70000115.5M611 Y756M611-V613 HydrophobicContact CB-CG2 4.29Å; M611-V613 HydrophobicContact CE-CG2 4.3Å; V613-Y756 HydrophobicContact CB-CE2 4.42Å; V613-Y756 HydrophobicContact CG1-CE1 3.84Å; V613-Y756 HydrophobicContact CG1-CE2 3.81Å; V613-Y756 VanDerWaalsContact CG1-OH 3.26Å; V613-Y756 WeakPolarHBondContact CG1-OH 3.47Å; V613-Y756 HydrophobicContact CG2-CD1 3.99Å; V613-Y756 HydrophobicContact CG2-CD2 3.75Å; V613-Y756 HydrophobicContact CG2-CE1 3.95Å; V613-Y756 HydrophobicContact CG2-CE2 3.68Å; V613-Y756 HydrophobicContact CG2-CG 3.94Å
614S27.9Very low28.2Very low111 Ų111121.9 Ų121.978%0.77670%0.695SS**  trans-163.3142136.7-90.40000108.2
615T25.2Very low28.2Very low116 Ų116121.4 Ų121.471%0.71270%0.697SS**  cis82.473.129.274.70000116.6
616S25.3Very low28Very low106 Ų106122.8 Ų122.874%0.74170%0.701SS**  trans-156.3141.5146.261.80000106.6
617H26Very low27.7Very low178 Ų178120.3 Ų120.382%0.82469%0.693SS**  52.6131.263.3-64.8-25.3000111.1
618S24.8Very low27.6Very low98 Ų98122 Ų12269%0.68569%0.692SS**  cis-167.6177.719.427.60000111.1
619Y25.5Very low27.5Very low213 Ų213126.7 Ų126.784%0.83570%0.701SS**  trans30.3113.9143.9-79.4-117.7000116.9
620M25.7Very low27.5Very low160 Ų160124.2 Ų124.279%0.78869%0.694SS**  -178.9169.572.9-89.2-141.8-172.600109.5
621K26.6Very low27.4Very low176 Ų176124.9 Ų124.977%0.76569%0.691SS**  cis-171.3149.6-24.7177.7174.3178.4-175.20105.7
622M26.4Very low27Very low147 Ų147126.9 Ų126.972%0.72470%0.703SS**  trans-62.4155.1178.7-64.9-77.6-77.500112.2A624M622-A624 HydrophobicContact CB-CB 3.69Å; M622-A624 HydrophobicContact CE-CB 3.8Å; M622-A624 HydrophobicContact CG-CB 4.33Å
623P34.9Very low26.9Very low106 Ų106127.5 Ų127.569%0.68871%0.705SS**  -118.9140.1102.834-32.9000111.5A625P623-A625 HydrophobicContact CB-CB 3.93Å
624A32.6Very low26.9Very low76 Ų76128.4 Ų128.463%0.62873%0.725SS**  cis44.856.72.100000115.4M622M622-A624 HydrophobicContact CB-CB 3.69Å; M622-A624 HydrophobicContact CE-CB 3.8Å; M622-A624 HydrophobicContact CG-CB 4.33Å
625A27.7Very low26.9Very low76 Ų76129 Ų12963%0.62872%0.72SS**  trans-153.2139.3152.500000108.4P623P623-A625 HydrophobicContact CB-CB 3.93Å
626N26.4Very low27.1Very low131 Ų131132 Ų13270%0.70172%0.723SS**  cis-159.9152.7-15.5-113.82000108.2
627N26.5Very low27.3Very low108 Ų108134.2 Ų134.258%0.57872%0.721SS**  trans60.5126.9143.1-6039.8000118.6
628E24.5Very low27.4Very low153 Ų153131.1 Ų131.172%0.71572%0.717SS**  49.6100.297.8-47.9163.1139.900113.3
629F26.6Very low27.9Very low191 Ų191130.6 Ų130.684%0.83871%0.713SS**  -147.3122.996-91-87.8000105
630A25.5Very low28.2Very low78 Ų78125.5 Ų125.565%0.64571%0.706SS**  68153.853.500000113
631D26.7Very low28.3Very low129 Ų129123.6 Ų123.669%0.6970%0.704SS**  trans75.6111.9166.8-65.5-11.6000121.5
632L25.8Very low28.3Very low148 Ų148121.1 Ų121.178%0.77570%0.703SS**  trans79.5118.7134.1-87.176.9000121.7
633V26.2Very low28.4Very low125 Ų125122.1 Ų122.176%0.75870%0.703SS**  58.8104.3126.8-179.60000117.5
634G28.6Very low28.3Very low71 Ų71124.5 Ų124.573%0.73271%0.71SS**  trans-144.7-1.9-174.400000120.4
635N26.6Very low28Very low124 Ų124128.3 Ų128.366%0.66372%0.718SS**  trans53.5133.5166.7-81.8-70.3000120.6
636K31.1Very low28Very low179 Ų179132 Ų13278%0.77873%0.727SS**  trans67.8114.8141.4-65.7169.4-169.3175.60116.7
637Q28.7Very low28.2Very low151 Ų151130.4 Ų130.471%0.70672%0.722SS**  cis45119.841.5-82.9-79.9-0.500112.3
638P28.5Very low28.2Very low113 Ų113135.1 Ų135.173%0.73474%0.74SS**  -140.414670.437.4-22.3000116.5
639S35Very low28.4Very low87 Ų87131.1 Ų131.161%0.60873%0.733SS**  trans-78.5137.214263.80000110.3
640P31.3Very low28.6Very low106 Ų106129 Ų12969%0.68873%0.729SS**  -113.5143.4127.2-9.629.2000109.9
641V27.3Very low28.8Very low121 Ų121133.1 Ų133.173%0.73374%0.74SS**  cis71.8146.349.4-176.20000111.9
642V27.2Very low28.7Very low124 Ų124134.9 Ų134.975%0.75274%0.744SS**  trans71.9120.1-175.6-151.90000112.1
643K29.4Very low28.7Very low168 Ų168133.7 Ų133.773%0.7375%0.747SS**  cis-121.8116.517.6-75.5-175.9177.2175.10114.5
644N31.8Very low28.7Very low155 Ų155132.1 Ų132.183%0.82974%0.742SS**  -62.5155.9129.5-106.1-26.1000108.5
645I25.9Very low28.7Very low156 Ų156135.4 Ų135.480%0.874%0.743SS**  trans71.572.9176.5-43.8164.7000114.5
646L28Very low28.7Very low154 Ų154136.1 Ų136.181%0.80675%0.751SS**SBendtrans-164.1107.9142.1-157.678000109.9
647T30.9Very low28.8Very low98 Ų98134.8 Ų134.860%0.60175%0.747SS**  cis-140.9145.9-11.6-65.30000109A649T647-A649 HydrophobicContact CG2-CB 3.99Å; T647-A649 PolarHBondContact O-N 3.01Å
648Q27.5Very low28.7Very low207 Ų207133.4 Ų133.497%0.96775%0.749SS**  trans-77.256.1173-165.8170.2-4.700111.5
649A26.9Very low28.8Very low68 Ų68134 Ų13456%0.56275%0.746SS**  trans-153.7134.8173.900000107.9T647T647-A649 HydrophobicContact CG2-CB 3.99Å; T647-A649 PolarHBondContact O-N 3.01Å
650I31.6Very low28.3Very low146 Ų146135 Ų13575%0.74975%0.752SS**  cis-122.1111.821.5-65.7168.2000111.1Q652I650-Q652 HydrophobicContact CG2-CB 4.03Å; I650-Q652 WeakPolarHBondContact CG2-O 3.39Å
651N29.9Very low28.1Very low165 Ų165138.1 Ų138.188%0.88276%0.755SS**  trans-94.174.5155.2-100.2-24.4000107.9
652Q24.7Very low28Very low167 Ų167137.9 Ų137.978%0.7876%0.759SS**  trans-173.2119.2173.7-109.7157.653.600111.7I650I650-Q652 HydrophobicContact CG2-CB 4.03Å; I650-Q652 WeakPolarHBondContact CG2-O 3.39Å
653C25.6Very low27.8Very low123 Ų123137.3 Ų137.383%0.83176%0.756SS**  trans120.7101.2173.2-71.20000110.7
654S25.7Very low27.7Very low92 Ų92138.7 Ų138.764%0.64376%0.762SS**  cis71.4105.647.886.10000113.8
655D28.6Very low27.4Very low140 Ų140139.7 Ų139.775%0.74976%0.762SS**  trans56.7134.8152.2-50.2-46.4000118.9
656T27.4Very low27.4Very low138 Ų138140.8 Ų140.885%0.84776%0.763SS**  -151.4134.2888.50000113.9
657H33.6Very low27.2Very low151 Ų151140.9 Ų140.970%0.69976%0.764SS**  trans-77.6133.3158.2-84.6-107.4000110.6L659H657-L659 HydrophobicContact CB-CD1 4.43Å
658V26Very low27Very low123 Ų123142.9 Ų142.975%0.74577%0.771SS**  trans-146113.5150.2-175.60000104.7
659L30.5Very low26.9Very low126 Ų126143.1 Ų143.166%0.6676%0.764SS**  cis58.364.220.3-67.8-170.3000114.9H657 F661H657-L659 HydrophobicContact CB-CD1 4.43Å; L659-F661 HydrophobicContact CD2-CD2 4.25Å; L659-F661 HydrophobicContact CD2-CE2 4.48Å
660S25.2Very low27.1Very low106 Ų106145 Ų14574%0.74177%0.771SS**  trans-96.674.6148.850.40000110.4S662S660-S662 PolarHBondContact O-N 3.02Å
661F26.1Very low26.8Very low172 Ų172142.3 Ų142.375%0.75477%0.765SS**  trans-64124.2146-95.2-93.9000106.9L659 V663L659-F661 HydrophobicContact CD2-CD2 4.25Å; L659-F661 HydrophobicContact CD2-CE2 4.48Å; F661-V663 HydrophobicContact CD1-CG2 4.08Å
662S25.2Very low26.7Very low117 Ų117142.9 Ų142.982%0.81876%0.762SS**  trans-9971.8158.3-650000109S660 K664S660-S662 PolarHBondContact O-N 3.02Å; S662-K664 PolarHBondContact O-N 2.91Å
663V24.2Very low26.8Very low111 Ų111139.8 Ų139.867%0.67376%0.758SS**  trans-72.3110.4149177.70000105.3F661F661-V663 HydrophobicContact CD1-CG2 4.08Å
664K26.7Very low26.8Very low198 Ų198139.1 Ų139.186%0.86176%0.755SS**PPolyproline II helixtrans-88.5141153.1-84.4-165.2169.9-170.40107.5S662S662-K664 PolarHBondContact O-N 2.91Å
665Q26.1Very low26.9Very low176 Ų176140.2 Ų140.282%0.82276%0.763SS**PPolyproline II helixtrans-69.9167.9-173.3-69.4159.6-93.900112.1
666E24.7Very low27.1Very low179 Ų179143.2 Ų143.284%0.83677%0.77SS**PPolyproline II helixtrans-57148.6172.6-60125.4124.200112.3
667L24.9Very low27.3Very low155 Ų155142.7 Ų142.781%0.81277%0.769SS**  trans-173100.3141.8-101.2160.5000109.7
668D26.3Very low26.9Very low140 Ų140145.9 Ų145.975%0.74978%0.776SS**  trans62.7165.6154.4-63.9-45.2000123.8
669Y24.3Very low27Very low213 Ų213144.6 Ų144.684%0.83577%0.773SS**  trans-86.3176.3-169.7-69.6-103.1000113
670P31.3Very low26.8Very low108 Ų108145.1 Ų145.170%0.70178%0.775SS**  cis-134.6-163.7-40.433.7-13.9000112.6
671S26.2Very low27.2Very low89 Ų89147.7 Ų147.762%0.62278%0.78SS**  trans85132.7151.810.60000122.6
672H28.4Very low27.2Very low176 Ų176148 Ų14882%0.81578%0.784SS**  trans66.9111.6143.4-59.7-52.4000124
673S26.1Very low27.5Very low102 Ų102152 Ų15271%0.71379%0.792SS**  66.7102.7129.9640000123
674S25.9Very low27.6Very low109 Ų109153.7 Ų153.776%0.76280%0.797SS**  92.3152115.881.10000122.1
675S27.5Very low27.5Very low116 Ų116149.3 Ų149.381%0.81179%0.791SS**  trans80.1139.8166.176.70000119.7
676F31.8Very low27.6Very low202 Ų202146.7 Ų146.789%0.88679%0.787SS**  trans-83.6158.5166.9-74.6-100.6000109.7
677P31.4Very low27.6Very low127 Ų127144.5 Ų144.583%0.82579%0.785SS**  -141.2-145.4107.939.3-25.1000114.2
678Y25.5Very low27.7Very low218 Ų218143 Ų14386%0.85579%0.787SS**  trans-139.3151.1-151.4-140.5-91.8000111.5
679S28.3Very low27.9Very low96 Ų96140.2 Ų140.267%0.67178%0.784SS**  trans83.1158.2147.9-123.60000123.1
680I27.4Very low28.1Very low138 Ų138139.3 Ų139.371%0.70878%0.784SS**  trans80.597154.4-61.6152.1000118.9
681N32.2Very low28Very low159 Ų159144.5 Ų144.585%0.8579%0.79SS**  172.8151.8105.8-101.5-24.3000113.1
682E26.2Very low28.1Very low179 Ų179147 Ų14784%0.83680%0.797SS**  trans-108.6157.7168.3-63.3168.6124.100109.8
683M31.4Very low28.8Very low200 Ų200144.2 Ų144.299%0.98579%0.794SS**  trans-174.3165.4141.3-104164.6-166.400113.1
684D26.2Very low28.9Very low147 Ų147146.1 Ų146.179%0.78680%0.801SS**  trans-106.2161.3-151.5-108.4-57.3000116.9
685C26.1Very low29.1Very low107 Ų107146 Ų14672%0.72380%0.8SS**  trans63.7161.2152-73.90000118.8
686T26.8Very low29.2Very low121 Ų121145 Ų14574%0.74279%0.793SS**  cis-155.7151.6-4.111.30000111.5
687V25.9Very low28.9Very low133 Ų133144.4 Ų144.481%0.80679%0.791SS**  trans27119.1142.9-174.20000120.2
688S27.3Very low28.8Very low122 Ų122144 Ų14485%0.85379%0.786SS**  175.3173.9109.8-160.50000112.1
689A29.7Very low28.9Very low82 Ų82142.8 Ų142.868%0.67879%0.785SS**  trans-140.6155.1-170.400000114.8
690K28.3Very low29.3Very low194 Ų194143.7 Ų143.784%0.84379%0.788SS**  trans-178.5138.2140-100151.1-171.4174.70114.1
691R28.7Very low29.5Very low218 Ų218145 Ų14582%0.82380%0.795SS**  25.9144.5127.4-65.8-174.4-179.9157.70.3119.3
692N28.3Very low29.3Very low142 Ų142142 Ų14276%0.75979%0.787SS**  cis-159.8162.115.1-115.46.8000111.8
693P43.5Very low29.5Very low116 Ų116139.3 Ų139.375%0.75378%0.783SS**  trans-102.1169.4175.239.7-34.6000114.4
694V29.3Very low29.3Very low143 Ų143134.2 Ų134.287%0.86776%0.762SS**  trans-138.8152.9169.6178.20000111.4
695S29.2Very low29.5Very low107 Ų107134.6 Ų134.675%0.74876%0.757SS**  trans-61.1176.8-177.362.90000115.4
696S28.7Very low29.6Very low95 Ų95138.5 Ų138.566%0.66476%0.757SS**  cis-161.3-174.824.8680000110.9
697F26.6Very low29.5Very low188 Ų188139 Ų13983%0.82575%0.751SS**  cis-161.6-168.43.4-132.2-27.1000111.7
698V28.8Very low29.6Very low119 Ų119140.2 Ų140.272%0.72175%0.752SS**  trans36.1138.9146171.20000121.2
699K27.7Very low29.6Very low193 Ų193140.8 Ų140.884%0.83974%0.741SS**  cis-172.6156.1-35.6-118.9-177.8179.9179.40107.5
700P37.3Very low29.4Very low114 Ų114144.1 Ų144.174%0.7475%0.746SS**  trans-98.2169.6-176.138.7-34.9000114
701I31.2Very low29.4Very low166 Ų166140.4 Ų140.485%0.85174%0.741SS**  trans-119.5131.7156-66.1-179.5000109
702S28Very low29.1Very low97 Ų97137.4 Ų137.468%0.67874%0.741SS**  trans-125.9141.2172.860.20000109.7
703T29.9Very low29Very low122 Ų122136.9 Ų136.975%0.74875%0.747SS**  trans-152.9141.1168.1-440000109.8F705T703-F705 HydrophobicContact CG2-CE2 4.28Å
704V28.5Very low28Very low92 Ų92136.6 Ų136.656%0.55874%0.743SS**  -173-171.7-56.4148.50000106.1
705F29.5Very low27.8Very low155 Ų155139.8 Ų139.868%0.6875%0.745SS**  trans92.1130.3164.4-59.3-91.9000118.1T703T703-F705 HydrophobicContact CG2-CE2 4.28Å
706R27.8Very low27.6Very low190 Ų190138.5 Ų138.572%0.71775%0.749SS**  cis-159.6135.7-23.7-115.3-162-173.2171.43.5107.1
707Q25.6Very low27.4Very low132 Ų132142.9 Ų142.962%0.61776%0.759SS**  52.9121.587.2-62.3-178.3-92.200117.3
708L28.6Very low27.2Very low157 Ų157139.3 Ų139.382%0.82276%0.757SS**  trans177.8107.8137.8-91.5160.7000104.3
709E26.3Very low27.1Very low134 Ų134141.8 Ų141.863%0.62676%0.76SS**  94.7115.657.7-78.2174.5-159.400113.7
710I25.8Very low27.3Very low153 Ų153138.2 Ų138.279%0.78576%0.757SS**  52.1130121-69.7170.1000117
711P27.5Very low26.6Very low115 Ų115138.9 Ų138.975%0.74775%0.754SS**  -141.7166.952.640.3-22.5000119.3
712L23.4Very low26.4Very low156 Ų156138.2 Ų138.282%0.81775%0.747SS**  trans-74.7152.6156-69.1134.8000110.3
713C25Very low26.5Very low130 Ų130139 Ų13988%0.87874%0.744SS**  trans-137.9146.3150.5-100.70000110.7
714V24.2Very low26.5Very low110 Ų110141.9 Ų141.967%0.66775%0.748SS**  trans-132.6168.9-178.3178.50000107.1
715F23.9Very low26.6Very low210 Ų210141.6 Ų141.692%0.92176%0.756SS**  trans84.7149.2177.5-61.5-87.1000117.1
716G25Very low26.7Very low80 Ų80141.6 Ų141.683%0.82576%0.763SS**  trans143.982.5172.600000113.9
717H23.8Very low27Very low188 Ų188135.3 Ų135.387%0.8776%0.757SS**  trans-96.3165.2166.1-99.9-62.3000110.6
718S22.5Very low27.4Very low112 Ų112134.1 Ų134.178%0.78376%0.761SS**  trans81.7141.7155.911.40000121.5
719H28.4Very low27.3Very low171 Ų171133.4 Ų133.479%0.79276%0.758SS**  trans-34.1167.4151-78.1-83.4000116.3
720P31Very low27.3Very low119 Ų119132.9 Ų132.977%0.77376%0.764SS**  cis-140.5-161.829.245-25.7000117.5
721N23.7Very low27.4Very low127 Ų127133.3 Ų133.368%0.67976%0.763SS**  trans-70.3175.4-172.8-44.9-31.4000115.7
722Q26.2Very low27.5Very low153 Ų153135.4 Ų135.472%0.71577%0.766SS**  trans105.3139.7133.4-95.5176.9-93.600121.6
723D30Very low27.6Very low113 Ų113134 Ų13460%0.60476%0.755SS**  trans65.6110.2155.8-51.3-25.8000117.9
724H29.7Very low27.7Very low182 Ų182134.5 Ų134.584%0.84375%0.749SS**  69.5131.174.1-75.5-66.7000112.7
725A30.8Very low27.9Very low86 Ų86136 Ų13671%0.71175%0.747SS**  cis-155.7-167.8-500000107.8
726D32.4Very low28.2Very low155 Ų155133.8 Ų133.883%0.82974%0.739SS**  cis-157.9176.16.7-167.621000110.7
727G33.1Very low28.3Very low58 Ų58137.6 Ų137.660%0.59874%0.741SS**  trans117.7136162.900000115
728P34.7Very low28.4Very low108 Ų108138.7 Ų138.770%0.70174%0.743SS**  -117.7152.5-86.436.3-34.6000114.7
729N26.7Very low28.7Very low142 Ų142138.1 Ų138.176%0.75974%0.739SS**  trans31.9123.6134.4-47.5-20.1000117.1
730T26.4Very low28.5Very low122 Ų122136.6 Ų136.675%0.74873%0.73SS**  cis-167.1162.318.49.50000105.8
731E27.7Very low28.2Very low163 Ų163135.7 Ų135.776%0.76272%0.716SS**  cis-156.2152.623.2-137.6157.7-143.400109
732I29.4Very low28.3Very low159 Ų159140.8 Ų140.882%0.81573%0.733SS**  trans-10194.2169.4-62.2177.7000109.3N734I732-N734 HydrophobicContact CG2-CB 4.37Å
733E25.3Very low28.4Very low126 Ų126136 Ų13659%0.58972%0.724SS**  trans-123.4124.9151-68.7-157141.200107.8K735E733-K735 VanDerWaalsContact OE1-CE 3.23Å; E733-K735 WeakPolarHBondContact OE1-CE 3.32Å; E733-K735 IonicContact OE1-NZ 3.17Å; E733-K735 PolarHBondContact OE1-NZ 3.03Å; E733-K735 WeakPolarHBondContact OE2-CD 3.46Å; E733-K735 VanDerWaalsContact OE2-CE 3.28Å; E733-K735 WeakPolarHBondContact OE2-CE 3.41Å; E733-K735 IonicContact OE2-NZ 3.6Å; E733-K735 PolarHBondContact OE2-NZ 2.91Å
734N27.3Very low28.2Very low140 Ų140136.7 Ų136.775%0.74973%0.732SS**  cis69.130.719.5-139.916.7000115.6I732I732-N734 HydrophobicContact CG2-CB 4.37Å
735K28.8Very low28.1Very low141 Ų141134.7 Ų134.761%0.61373%0.727SS**  trans-116.897151-79.6163.9-168.6149.30108.4E733E733-K735 VanDerWaalsContact OE1-CE 3.23Å; E733-K735 WeakPolarHBondContact OE1-CE 3.32Å; E733-K735 IonicContact OE1-NZ 3.17Å; E733-K735 PolarHBondContact OE1-NZ 3.03Å; E733-K735 WeakPolarHBondContact OE2-CD 3.46Å; E733-K735 VanDerWaalsContact OE2-CE 3.28Å; E733-K735 WeakPolarHBondContact OE2-CE 3.41Å; E733-K735 IonicContact OE2-NZ 3.6Å; E733-K735 PolarHBondContact OE2-NZ 2.91Å
736Q29Very low27.9Very low165 Ų165137.6 Ų137.677%0.77173%0.726SS**  81.8104.586.2-81.1179.99.400113.1
737N28.1Very low27.9Very low160 Ų160139.6 Ų139.686%0.85672%0.723SS**  trans22.7100.5131.8-59.9-12.5000117.4
738K25.2Very low27.7Very low211 Ų211142.9 Ų142.992%0.91773%0.727SS**  trans-145.6143.5132.7-108.5165.4-173.4-176.10109.9
739S29.8Very low27.7Very low100 Ų100142.5 Ų142.570%0.69972%0.723SS**  trans-93.1155.4-16449.80000113.5
740F24.1Very low27.7Very low138 Ų138142.1 Ų142.161%0.60573%0.726SS**  trans-149.7106.8137.9-108.6-70.9000112.6D748F740-D748 HydrophobicContact CE2-CB 3.98Å; F740-D748 HydrophobicContact CZ-CB 4.26Å
741E23.1Very low27.7Very low101 Ų101144.3 Ų144.347%0.47273%0.727SS.*  trans32.2106.9156.7-58.8-163.7128.300121.8T744 L745E741-T744 WeakPolarHBondContact OE1-CA 3.39Å; E741-T744 PolarHBondContact OE1-N 3.26Å; E741-L745 PolarHBondContact OE1-N 2.88Å
742F26.5Very low27.6Very low234 Ų234145.2 Ų145.2100%1.02673%0.731SS**SBend-90.5102.799.4-93.8-75000106.5
743G29.4Very low27.3Very low51 Ų51141.5 Ų141.553%0.52672%0.718SS.*SBendtrans-171.5-168.6-166.200000115.1
744T25.7Very low27.3Very low128 Ų128141.6 Ų141.679%0.78572%0.723SS**  trans-141.6110.4174.453.10000110.4E741E741-T744 WeakPolarHBondContact OE1-CA 3.39Å; E741-T744 PolarHBondContact OE1-N 3.26Å
745L26.5Very low27.3Very low140 Ų140141.9 Ų141.973%0.73372%0.717SS**  trans139.1119.1144.5-72.8157.8000114.8E741E741-L745 PolarHBondContact OE1-N 2.88Å
746Q27.4Very low27.4Very low147 Ų147141.7 Ų141.769%0.68771%0.713SS**  trans68.4152.4149.9-73.2-174.1-100.900122.9
747Y32.3Very low27.4Very low197 Ų197136.9 Ų136.977%0.77370%0.696SS**  trans-19.4152.4171-66.5-95.7000120.5
748D28.8Very low27.5Very low128 Ų128137.2 Ų137.268%0.68469%0.692SS**  trans-133.1156.5133.3-152.5-16.9000110.4F740F740-D748 HydrophobicContact CE2-CB 3.98Å; F740-D748 HydrophobicContact CZ-CB 4.26Å
749T34.6Very low27.7Very low99 Ų99131.9 Ų131.961%0.60768%0.681SS**  trans-139.6102-173.8-64.40000111.3H751T749-H751 PolarHBondContact O-N 2.89Å
750T27.4Very low27.6Very low135 Ų135132.8 Ų132.883%0.82868%0.682SS**  trans-8785177.937.70000112.9
751H26.1Very low28Very low167 Ų167131.8 Ų131.877%0.77369%0.689SS**  trans39.486.1145.7-64.7-84.8000119.2T749T749-H751 PolarHBondContact O-N 2.89Å
752Q23.9Very low28.4Very low182 Ų182133.7 Ų133.785%0.8571%0.708SS**  -111.9144.7114.7-88.6-82.3-13.800107.1
753P24.2Very low28.4Very low82 Ų82127.9 Ų127.953%0.53270%0.697SS.*  trans-92.4159.9-156.935.2-34.9000114.8
754N25.3Very low28.8Very low128 Ų128130.9 Ų130.968%0.68471%0.707SS**  trans80.8142.7169.7-49.3-74.9000116.7
755K27.4Very low29Very low145 Ų145133.3 Ų133.363%0.6371%0.713SS**  cis-167.2135.8-13.5-113.3170.2180171.70109.5
756Y29.8Very low29.1Very low137 Ų137134 Ų13454%0.53772%0.717SS.*  trans62.8154.2153.4-55-39.4000119V613V613-Y756 HydrophobicContact CB-CE2 4.42Å; V613-Y756 HydrophobicContact CG1-CE1 3.84Å; V613-Y756 HydrophobicContact CG1-CE2 3.81Å; V613-Y756 VanDerWaalsContact CG1-OH 3.26Å; V613-Y756 WeakPolarHBondContact CG1-OH 3.47Å; V613-Y756 HydrophobicContact CG2-CD1 3.99Å; V613-Y756 HydrophobicContact CG2-CD2 3.75Å; V613-Y756 HydrophobicContact CG2-CE1 3.95Å; V613-Y756 HydrophobicContact CG2-CE2 3.68Å; V613-Y756 HydrophobicContact CG2-CG 3.94Å
757T29.3Very low29.2Very low65 Ų65132.2 Ų132.240%0.39972%0.721SS.*  cis-159.8157.2-19.123.50000110.9M611M611-T757 HydrophobicContact CE-CG2 3.8Å
758H31.3Very low29Very low167 Ų167129.3 Ų129.377%0.77372%0.719SS**  trans-0.1159.6137.9-54.2-68.6000120.2
759S29.1Very low29.2Very low98 Ų98132.1 Ų132.169%0.68573%0.727SS**  cis-173.6-166.6-12.654.40000107.3
760T28.3Very low28.7Very low119 Ų119134.1 Ų134.173%0.7374%0.739SS**  cis-160.91560.7-8.90000107.8
761P31Very low28.8Very low117 Ų117132.4 Ų132.476%0.7674%0.739SS**  trans-85.4167.2173.335.7-36.2000113.4
762T31.1Very low28.8Very low141 Ų141129.8 Ų129.887%0.86574%0.739SS**  trans-148.2152.3168.3-54.20000110.6
763S27.3Very low28.9Very low112 Ų112129 Ų12978%0.78374%0.739SS**  trans-105-160.2-165.5-420000112.3
764P38.2Very low29.1Very low115 Ų115129.9 Ų129.975%0.74774%0.743SS**  trans-97.7172.3-138.442.9-38.2000115.3
765I30.2Very low29.3Very low178 Ų178130.9 Ų130.991%0.91375%0.748SS**  trans-148.1159.5149.1-104.9148.8000110.1
766L27.7Very low29.4Very low156 Ų156133.6 Ų133.682%0.81775%0.754SS**  trans-96.5142.1-166.5-171.375.6000112.3
767S29.7Very low29.5Very low109 Ų109130.9 Ų130.976%0.76276%0.755SS**  169.4148.9129.347.50000115.6
768N27.4Very low29.6Very low136 Ų136134.7 Ų134.773%0.72777%0.766SS**  trans-18.5134.9165-49.5-23000118.5
769H33.2Very low29.6Very low187 Ų187131.2 Ų131.287%0.86676%0.76SS**  -171.6157.197.5-104.7-77.8000113.7
770T25.3Very low29.7Very low141 Ų141134.4 Ų134.487%0.86577%0.77SS**  trans-87.1120.1-172.6-51.20000113
771A29.4Very low29.9Very low98 Ų98134.1 Ų134.181%0.8177%0.773SS**  trans-153.2125.7157.800000112.4
772S25Very low29.9Very low113 Ų113135.6 Ų135.679%0.7978%0.779SS**  trans-97.1125.9157.9-62.90000108.1
773I27Very low29.7Very low164 Ų164134.6 Ų134.684%0.84178%0.777SS**  trans-171.5126.6147.8-102.2150.1000113.8
774T27.9Very low29.7Very low101 Ų101134 Ų13462%0.6277%0.772SS**  trans0.8128.4144.4-43.50000121.1R776T774-R776 HydrophobicContact CG2-CB 4.35Å; T774-R776 HydrophobicContact CG2-CG 4.09Å
775L29.9Very low29.4Very low149 Ų149134.4 Ų134.478%0.7877%0.772SS**  trans-118.7120.4136.8-66.1175.1000106.6F344F344-L775 HydrophobicContact CZ-CD2 4.36Å
776R28.2Very low29.3Very low203 Ų203132.1 Ų132.177%0.76677%0.767SS**  cis60.1139.541.5-92.5-167.6161.6176.5-4.9113.8T774T774-R776 HydrophobicContact CG2-CB 4.35Å; T774-R776 HydrophobicContact CG2-CG 4.09Å
777S32.2Very low29.5Very low80 Ų80131.3 Ų131.356%0.55977%0.768SS**  cis171.9150.1-22.745.90000109.4
778K31.6Very low29.7Very low144 Ų144135.1 Ų135.163%0.62677%0.771SS**  trans174.8120.3141.4-95.7156.5-178.2-164.90107.2
779S31.2Very low30.1Very low94 Ų94133.8 Ų133.866%0.65777%0.77SS**  cis87.4121.839.177.50000114.4
780N32.2Very low29.9Very low166 Ų166132.1 Ų132.189%0.88877%0.766SS**  -155.7160123.8-96.9-11.2000109.7
781S31.7Very low30.1Very low112 Ų112132.5 Ų132.578%0.78376%0.758SS**  trans-141151.4-163.2560000112
782V30.5Very low30.2Very low148 Ų148133.5 Ų133.590%0.89776%0.759SS**  trans-129.4131.1161.1-171.70000108.3
783C27.9Very low30.4Very low120 Ų120135.8 Ų135.881%0.81176%0.755SS**  trans-86.8174.7173.4-130.20000108.7
784S28.1Very low30.6Very low99 Ų99136.1 Ų136.169%0.69276%0.756SS**  cis-152.8-172.95.949.40000105.8
785V30.5Very low30.7Very low124 Ų124137.3 Ų137.375%0.75276%0.755SS**  cis-150.8147.239.3171.40000109.3
786T28.3Very low30.7Very low131 Ų131137.2 Ų137.280%0.80475%0.748SS**  trans-98.5134176.452.50000113
787V31.4Very low31Very low138 Ų138133.4 Ų133.484%0.83675%0.749SS**  trans-128.5105.6159.4-175.40000110.5
788K35.2Very low30.9Very low189 Ų189138.5 Ų138.582%0.82276%0.762SS**  trans-96.6179.5149.1-74-174.4177178.80106.2
789P34.5Very low30.8Very low109 Ų109137 Ų13771%0.70876%0.76SS**  cis-150.7-157.823.129.50.1000115.9
790I30.2Very low30.6Very low151 Ų151143.3 Ų143.377%0.77477%0.77SS**  trans75.6118.9159-42.5-175.8000116
791H29.2Very low30.4Very low150 Ų150139 Ų13969%0.69476%0.764SS**  cis93101.813.8-165.1-75.5000117.2F793H791-F793 AromaticContact CE1-CD2 3.69Å; H791-F793 AromaticContact NE2-CD2 3.78Å; H791-F793 AromaticContact NE2-CE2 3.74Å
792S31.7Very low30.2Very low119 Ų119139.6 Ų139.683%0.83277%0.768SS**  trans-145.9116.4163.856.70000113
793F29Very low30Very low160 Ų160137.3 Ų137.370%0.70276%0.758SS**  trans-91.4143.3164.7-87.7-117.7000110.1H791H791-F793 AromaticContact CE1-CD2 3.69Å; H791-F793 AromaticContact NE2-CD2 3.78Å; H791-F793 AromaticContact NE2-CE2 3.74Å
794I31.8Very low30.3Very low171 Ų171137.5 Ų137.588%0.87776%0.758SS**  trans-170.8129150.3-94.7144.7000106.6
795H29.5Very low30.5Very low127 Ų127137.7 Ų137.759%0.58876%0.757SS**  cis108.7106.9-10.4-156.278.8000117.6
796K30.3Very low30.3Very low147 Ų147139 Ų13964%0.63976%0.76SS**  trans72.1159.8168-71.2167.1177.6149.10117.2
797P33.9Very low30.3Very low122 Ų122139.9 Ų139.979%0.79276%0.758SS**  cis-128.5-166.1-14.132.5-11.1000114.3
798K29.6Very low30Very low188 Ų188140.6 Ų140.682%0.81776%0.757SS**  trans-59.2162.5163-50.6173.9-177.9175.10110.3
799D30Very low29.5Very low113 Ų113136.1 Ų136.160%0.60475%0.749SS**  -168.3166.259.8-143.920.5000113.5
800R27.9Very low29.1Very low226 Ų226139.5 Ų139.585%0.85376%0.761SS**  trans46.6124.9158.2-63167.3-151.3-140.80.3121.2
801G27.3Very low28.9Very low75 Ų75135.1 Ų135.177%0.77374%0.743SS**  122.2124.3112.800000119.2
802S27.6Very low28.8Very low124 Ų124132.7 Ų132.787%0.86774%0.743SS**  trans64.4141150.4-153.90000121.6
803C26.2Very low28.9Very low101 Ų101136.6 Ų136.668%0.68275%0.745SS**  trans-56.6159.7174.3-48.50000114.6
804P33.6Very low29Very low124 Ų124132.4 Ų132.481%0.80574%0.74SS**  trans-62.1147.7150.732.5-34.8000109.2
805P32.1Very low29Very low103 Ų103130.9 Ų130.967%0.66973%0.734SS**  -145.1150.1113.437.7-24.5000115.2
806N27.3Very low29.1Very low152 Ų152129.9 Ų129.981%0.81373%0.733SS**  trans68.1156.9139.2-64.9-3.9000122.3
807L26.9Very low29.2Very low148 Ų148130.1 Ų130.178%0.77574%0.736SS**  trans78.389.6159-63.6157.7000119.7
808L25.8Very low29.1Very low153 Ų153131.3 Ų131.380%0.80173%0.731SS**  75.8160.9115.6-75.1178.6000123
809S25.1Very low29.2Very low96 Ų96128.5 Ų128.567%0.67172%0.724SS**  trans70.190.6155.645.40000119.3
810L25.7Very low29.3Very low180 Ų180129.1 Ų129.194%0.94273%0.727SS**  61.2138108.9-69162.3000120
811S26.1Very low29.3Very low58 Ų58125.6 Ų125.641%0.40672%0.72SS.*  trans-91.1146.8179.1-176.70000112.4K479K479-S811 PolarHBondContact NZ-OG 2.98Å
812S28.3Very low29.5Very low99 Ų99127.5 Ų127.569%0.69272%0.722SS**  trans63.1137.9144.845.70000120.2
813K33.1Very low29.7Very low202 Ų202125.2 Ų125.288%0.87871%0.71SS**  trans-143136.7154.7-130.3-178.4-176.1-176.90110.5
814A31.6Very low30Very low72 Ų72127.4 Ų127.460%0.59572%0.715SS**  trans69.9120.4141.600000121.5
815N31Very low29.9Very low139 Ų139128.1 Ų128.174%0.74371%0.712SS**  78147.4122.5-64.327.9000118.6
816N32.2Very low29.7Very low106 Ų106128.4 Ų128.457%0.56772%0.716SS**  cis-156.9160.82.5-119.110.1000111.7
817E31.1Very low29.9Very low151 Ų151124.4 Ų124.471%0.70671%0.711SS**  trans65.8153.8143.1-67.6170.6-135.600119.4
818H32.5Very low29.9Very low148 Ų148126.6 Ų126.669%0.68571%0.714SS**  cis-158.6162.7-11-133-55.8000111.9
819L31.6Very low30Very low129 Ų129126.1 Ų126.168%0.67571%0.712SS**  trans72.6113.9151.7-62.3175.6000121.6
820N31.3Very low30.2Very low126 Ų126126.6 Ų126.667%0.67472%0.715SS**  76.6153.5121.4-67.728.5000123
821E29.6Very low30.4Very low151 Ų151123.1 Ų123.171%0.70671%0.706SS**  cis-172.9148.9-30.4-168.6168.6-161.900109.5
822S31.8Very low30.9Very low116 Ų116126.3 Ų126.381%0.81173%0.725SS**  trans63.2170.316683.40000116.2
823A31.9Very low31Very low75 Ų75128.8 Ų128.862%0.6273%0.726SS**  cis-145.1127.3-10.600000107.6
824L30.7Very low30.8Very low148 Ų148128.8 Ų128.878%0.77572%0.72SS**  76.9135.597.4-75.9175.4000117.6
825N32.8Very low30.8Very low138 Ų138131 Ų13174%0.73872%0.722SS**  trans71.6159.9147-66.6-20.5000120.5
826S27.7Very low30.9Very low109 Ų109131.5 Ų131.576%0.76272%0.72SS**  cis-174.3166.3-34.9630000108.9
827G31.3Very low30.9Very low69 Ų69132.2 Ų132.271%0.71173%0.728SS**  trans111.2104.3175.100000113.2
828K26.9Very low31.1Very low194 Ų194132.2 Ų132.284%0.84373%0.731SS**  cis88128.518.5-151.7-168.3178.2-176.90114.4
829L27.6Very low31.1Very low142 Ų142129.7 Ų129.774%0.74373%0.727SS**  trans90.9132.2160.1-78.3145.2000122.3
830S29.2Very low31.3Very low106 Ų106131.5 Ų131.574%0.74173%0.729SS**  trans68.9125.4141.457.30000122.5
831S29.5Very low31.4Very low107 Ų107132 Ų13275%0.74873%0.727SS**  trans-65.4170.6151.452.20000112
832P38.3Very low31.5Very low125 Ų125134 Ų13481%0.81273%0.728SS**  -139.4166.5100.439.2-28.7000115.2
833E29Very low31.5Very low152 Ų152134.8 Ų134.871%0.7172%0.722SS**  trans-68.4156.8164.4-48.9170.5135.400112.1
834R30Very low31.4Very low201 Ų201139.9 Ų139.976%0.75873%0.73SS**  153.9141.2113.3-95.1164.6-173.7-164.7-3.3115
835N30.3Very low31.4Very low120 Ų120140.8 Ų140.864%0.64273%0.73SS**  trans65.4153.8140.6-63.5-14.1000118.7
836Q33.5Very low31.3Very low148 Ų148141.6 Ų141.669%0.69273%0.73SS**  cis-161.2132.5-13.5-113.9168.325.500110.5
837V31.5Very low31.5Very low122 Ų122143.2 Ų143.274%0.73973%0.73SS**  trans62175.8130.5-176.70000118.3
838I35.5Very low31.2Very low151 Ų151145.3 Ų145.377%0.77473%0.733SS**  trans76.2116.3172.3-46.7-177.5000115.5
839T33.3Very low31.6Very low95 Ų95142.3 Ų142.358%0.58373%0.731SS**  cis164.8155.1-3541.20000107.8
840K35.5Very low31.7Very low167 Ų167140.2 Ų140.273%0.72673%0.729SS**  trans79.5126146.6-76.6156.9-175171.10121.1
841Q33.4Very low31.7Very low135 Ų135141.4 Ų141.463%0.63173%0.726SS**  trans76.3156.6131.7-68.2174.714.500117.7
842R32.8Very low31.9Very low194 Ų194148.1 Ų148.173%0.73274%0.735SS**  cis-148.5134.1-0.5-124.3155.4172.2161.9-11.6108.5
843I31.8Very low31.4Very low133 Ų133147.1 Ų147.168%0.68273%0.732SS**  64.9120.5104.7-64.6-170.1000116.7
844K28.2Very low31.8Very low182 Ų182145.8 Ų145.879%0.79174%0.736SS**  trans28.7133.4145.8-51.4171.4-174.6-1780120.2
845Q32.3Very low32Very low166 Ų166144.1 Ų144.178%0.77674%0.741SS**  -179.3128108.8-96.7174.1-4300109.2
846Q29.1Very low31.8Very low155 Ų155143.1 Ų143.172%0.72474%0.743SS**  83.5171.785.9-82.9-176.3-88.900114.2
847D32.6Very low31.8Very low144 Ų144143 Ų14377%0.7775%0.747SS**  trans70.1111.8-178.6-47.5-18.4000114.9
848S26Very low31.7Very low112 Ų112145.3 Ų145.378%0.78375%0.75SS**  cis81.8848.391.50000118.5
849V33.5Very low31.6Very low132 Ų132144.2 Ų144.280%0.875%0.746SS**  trans-145.4116.1163.3-174.50000105
850S31.5Very low31.6Very low98 Ų98146.6 Ų146.669%0.68575%0.75SS**  53.8145.186.4-78.40000113.9
851D28.5Very low31.5Very low130 Ų130146.7 Ų146.770%0.69575%0.753SS**  cis-164.6154.5-11.5-117.5-55.3000109.9
852R32.9Very low31.4Very low248 Ų248146.2 Ų146.294%0.93676%0.755SS**  trans170.3145.3131.2-95.7174.7-179.1-140-4.2114.9
853S29.3Very low31.4Very low105 Ų105141.5 Ų141.573%0.73475%0.748SS**  trans-103.4174.8-171.8-27.40000112.5
854P37.2Very low31.4Very low124 Ų124145.4 Ų145.481%0.80575%0.754SS**  trans-90177.1-171.138-36.8000114.2
855I32.5Very low31.5Very low166 Ų166140.7 Ų140.785%0.85174%0.744SS**  trans-127.6141.2167.5-64.3177.3000108.8
856S26.7Very low31.5Very low99 Ų99140.1 Ų140.169%0.69274%0.741SS**  trans-113.6142.2175.156.90000111.8
857N33.9Very low31.5Very low144 Ų144143.1 Ų143.177%0.7775%0.745SS**  trans-144.6128.8146-75.3-41.3000104.1
858Q29.9Very low31.5Very low171 Ų171141.1 Ų141.180%0.79974%0.738SS**  63.7149.254.2-71.3-155.6-21.300114.4
859N33.7Very low31.7Very low129 Ų129143.9 Ų143.969%0.6974%0.739SS**  trans70.5141.7-171.7-53.161.5000114.3
860E32.1Very low31.5Very low144 Ų144143.3 Ų143.367%0.67373%0.73SS**  cis-172.9164.3-32.1-120157.2172.200107.5
861E32.7Very low31.3Very low169 Ų169145.1 Ų145.179%0.7973%0.733SS**  trans59.5154.7147.4-72.7-175167.100121
862D32.7Very low31.5Very low125 Ų125147.8 Ų147.867%0.66874%0.738SS**  cis-158.2162.5-29.6-162.48.1000110.2
863T32.8Very low31.3Very low95 Ų95142.8 Ų142.858%0.58373%0.729SS**  trans65.1161155.671.80000119.5
864R31Very low31.2Very low216 Ų216142.9 Ų142.982%0.81572%0.721SS**  cis-156.2159.1-19.2-118.5168.5179.4150-0.4110.1
865S31.1Very low30.9Very low82 Ų82148.5 Ų148.557%0.57373%0.728SS**  trans63.9143.1145.2-69.70000120
866H32.2Very low30.7Very low154 Ų154148.2 Ų148.271%0.71372%0.721SS**  cis-137.9141.9-13-89.6-52000107.2
867R29.5Very low30.8Very low218 Ų218148.9 Ų148.982%0.82372%0.721SS**  57115.372.4-131-169.2-161.8-178.86.1109.3
868V30.9Very low30.5Very low103 Ų103152 Ų15262%0.62473%0.728SS**  -177.9128.673.4146.50000110.2
869Q30.6Very low30.5Very low169 Ų169147.8 Ų147.879%0.7972%0.717SS**  trans59.8165143.2-67175.6-0.600120.8
870L29.7Very low30.3Very low120 Ų120147.1 Ų147.163%0.62873%0.729SS**  cis-150.6159-4.3-124.4164.5000112.4
871N27.7Very low30.3Very low137 Ų137148 Ų14873%0.73373%0.731SS**  trans-41.4139.5-176.5-50.4-14.7000121
872K32.3Very low30.2Very low185 Ų185149.4 Ų149.480%0.80473%0.73SS**  -171.9116.6117.7-101.6174.6-179.5-176.90108.7
873L29.4Very low30.3Very low144 Ų144149.1 Ų149.175%0.75474%0.738SS**  84.9100.651.8-158.179.4000113.5
874D27.4Very low30.5Very low106 Ų106147.8 Ų147.857%0.56773%0.732SS**  trans48.6131.6149-56.2-30.5000123.6F876D874-F876 HydrophobicContact CB-CD2 4.47Å
875Y30.1Very low30.6Very low243 Ų243146.2 Ų146.295%0.95373%0.728SS**  -138.4139118-125-85.1000111.4
876F29.2Very low31Very low160 Ų160148.2 Ų148.270%0.70273%0.731SS**  trans-103.4142.8-156-124-119.5000115.1D874D874-F876 HydrophobicContact CB-CD2 4.47Å
877V27.8Very low31.5Very low113 Ų113143.5 Ų143.569%0.68572%0.715SS**  trans32.9107.4141-1770000119.2
878K27.9Very low31.9Very low210 Ų210137.9 Ų137.991%0.91370%0.701SS**  trans-167.5130.6138.2-102.6159.9-175173.80108
879S29.4Very low32.5Very low82 Ų82136.6 Ų136.657%0.57370%0.697SS**  cis-155.2127.3-5.251.40000111.3K881S879-K881 PolarHBondContact O-N 3.14Å
880A29.9Very low33.3Very low114 Ų114132.6 Ų132.694%0.94268%0.684SS**  trans-74.786.1167.800000109.9
881K32.8Very low34.8Very low163 Ų163132 Ų13271%0.70968%0.678SS**  trans-141.4-2.6-179.8-102.4-169.2176.3-171.70117.1S879S879-K881 PolarHBondContact O-N 3.14Å
882Y30.6Very low36.3Very low199 Ų199131.7 Ų131.778%0.7867%0.672SS**THydrogen-bonded Turntrans-86.2-9.6179.8-89.5-83.7000115S884Y882-S884 PolarHBondContact O-N 3.13Å
883S35Very low37.6Very low118 Ų118129.1 Ų129.183%0.82566%0.661SS**THydrogen-bonded Turntrans-78.7-10.8-175.3-163.20000115.2
884S36.8Very low39.3Very low67 Ų67127.9 Ų127.947%0.46965%0.65SS.*SBendtrans-107.5-13.2-177.1610000114.5Y882 S887Y882-S884 PolarHBondContact O-N 3.13Å; S884-S887 PolarHBondContact O-OG 3.02Å
885Y33.2Very low41.1Very low184 Ų184130.7 Ų130.772%0.72265%0.653SS**Hα-helixtrans-79.7-19.9179.7-111.4-86000113.4S889Y885-S889 PolarHBondContact O-N 2.93Å
886I38.5Very low42.6Very low124 Ų124122.1 Ų122.164%0.63663%0.625SS**Hα-helixtrans-81.2-30-178.6-60.3176.3000111.2T890I886-T890 PolarHBondContact O-N 3Å; I886-T890 PolarHBondContact O-OG1 3.01Å
887S41.8Very low44Very low55 Ų55115.3 Ų115.339%0.38560%0.596SS.*Hα-helixtrans-69.8-39.4174.947.90000112.9S884 T890 Q891S884-S887 PolarHBondContact O-OG 3.02Å; S887-T890 WeakPolarHBondContact CA-OG1 3.47Å; S887-T890 PolarHBondContact O-N 3.01Å; S887-T890 PolarHBondContact O-OG1 2.69Å; S887-Q891 PolarHBondContact O-N 3.49Å
888D39.7Very low45.7Very low99 Ų99114.6 Ų114.653%0.52959%0.589SS.*Hα-helixtrans-74.2-38.5-176.5-68.91.8000111T890 Q891 Q892D888-T890 VanDerWaalsContact C-N 3.34Å; D888-T890 PolarHBondContact O-N 3.02Å; D888-Q891 PolarHBondContact O-N 2.74Å; D888-Q892 WeakPolarHBondContact O-CB 3.34Å; D888-Q892 PolarHBondContact O-N 3.09Å
889S41.9Very low47.6Very low77 Ų77110.4 Ų110.454%0.53858%0.581SS.*Hα-helixtrans-61-40.7172.1-1760000112.1Y885 Q892 F893Y885-S889 PolarHBondContact O-N 2.93Å; S889-Q892 PolarHBondContact O-N 2.81Å; S889-F893 WeakPolarHBondContact O-CB 3.43Å; S889-F893 PolarHBondContact O-N 2.88Å
890T48.1Very low48.8Very low85 Ų85111.6 Ų111.652%0.52158%0.579SS.*Hα-helixtrans-72.1-35175.8410000113.2I886 S887 D888 K894I886-T890 PolarHBondContact O-N 3Å; I886-T890 PolarHBondContact O-OG1 3.01Å; S887-T890 WeakPolarHBondContact CA-OG1 3.47Å; S887-T890 PolarHBondContact O-N 3.01Å; S887-T890 PolarHBondContact O-OG1 2.69Å; D888-T890 VanDerWaalsContact C-N 3.34Å; D888-T890 PolarHBondContact O-N 3.02Å; T890-K894 VanDerWaalsContact O-CB 3.29Å; T890-K894 WeakPolarHBondContact O-CB 3.49Å; T890-K894 PolarHBondContact O-N 3.2Å
891Q60.3Low49.3Very low108 Ų108109.1 Ų109.151%0.50556%0.564SS.*Hα-helixtrans-64.7-42.4169.3-78.8-156.322.800112.3S887 D888 K894 R895S887-Q891 PolarHBondContact O-N 3.49Å; D888-Q891 PolarHBondContact O-N 2.74Å; Q891-K894 PolarHBondContact O-N 3.38Å; Q891-R895 WeakPolarHBondContact O-CG 3.49Å; Q891-R895 PolarHBondContact O-N 2.93Å
892Q59.5Low50.3Low130 Ų130105 Ų10561%0.60755%0.549SS*.Hα-helixtrans-66-45.1179.9-164.416814.600110.5D888 S889 K894 R895 T896D888-Q892 WeakPolarHBondContact O-CB 3.34Å; D888-Q892 PolarHBondContact O-N 3.09Å; S889-Q892 PolarHBondContact O-N 2.81Å; Q892-K894 VanDerWaalsContact C-N 3.33Å; Q892-K894 PolarHBondContact O-N 3.34Å; Q892-R895 WeakPolarHBondContact O-CB 3.37Å; Q892-R895 PolarHBondContact O-N 2.92Å; Q892-R895 VanDerWaalsContact O-N 3.14Å; Q892-T896 PolarHBondContact O-N 3.5Å; Q892-T896 PolarHBondContact O-OG1 3.36Å
893F60.5Low51Low131 Ų13196.8 Ų96.858%0.57553%0.525SS*.Hα-helixtrans-58.4-41.2172.2-174.9-109.3000112.7S889 T896 L897S889-F893 WeakPolarHBondContact O-CB 3.43Å; S889-F893 PolarHBondContact O-N 2.88Å; F893-T896 PolarHBondContact O-N 3.02Å; F893-L897 HydrophobicContact CD1-CD1 3.89Å; F893-L897 HydrophobicContact CE1-CD1 3.5Å; F893-L897 HydrophobicContact CE1-CG 4.2Å; F893-L897 HydrophobicContact CZ-CD1 3.99Å; F893-L897 HydrophobicContact CZ-CG 4.27Å; F893-L897 PolarHBondContact O-N 3.36Å
894K64.6Low51.4Low118 Ų11896.7 Ų96.751%0.51352%0.523SS..Hα-helixtrans-66-35.1175.4-169.1165.8-174.3174.50112.7T890 Q891 Q892 N898 L906T890-K894 VanDerWaalsContact O-CB 3.29Å; T890-K894 WeakPolarHBondContact O-CB 3.49Å; T890-K894 PolarHBondContact O-N 3.2Å; Q891-K894 PolarHBondContact O-N 3.38Å; Q892-K894 VanDerWaalsContact C-N 3.33Å; Q892-K894 PolarHBondContact O-N 3.34Å; K894-N898 VanDerWaalsContact O-CG 3.3Å; K894-N898 PolarHBondContact O-N 2.94Å; K894-N898 PolarHBondContact O-OD1 3.34Å; K894-L906 HydrophobicContact CD-CD1 4.18Å; K894-L906 HydrophobicContact CG-CD1 3.84Å
895R65.7Low51.6Low165 Ų16598.4 Ų98.462%0.62353%0.527SS*.Hα-helixtrans-65.9-46.3169.3-73.4-179-179.2126.96.9111.3Q891 Q892 L897 N898 T899Q891-R895 WeakPolarHBondContact O-CG 3.49Å; Q891-R895 PolarHBondContact O-N 2.93Å; Q892-R895 WeakPolarHBondContact O-CB 3.37Å; Q892-R895 PolarHBondContact O-N 2.92Å; Q892-R895 VanDerWaalsContact O-N 3.14Å; R895-L897 PolarHBondContact O-N 3.25Å; R895-N898 WeakPolarHBondContact O-CB 3.39Å; R895-N898 PolarHBondContact O-N 3.34Å; R895-N898 VanDerWaalsContact O-N 3.14Å; R895-T899 PolarHBondContact O-N 2.96Å; R895-T899 PolarHBondContact O-OG1 2.83Å
896T61.5Low51.7Low62 Ų6293.5 Ų93.538%0.3851%0.512SS..Hα-helixtrans-60.2-44.4179.3-47.70000111.7Q892 F893 N898 T899 M900Q892-T896 PolarHBondContact O-N 3.5Å; Q892-T896 PolarHBondContact O-OG1 3.36Å; F893-T896 PolarHBondContact O-N 3.02Å; T896-N898 VanDerWaalsContact C-N 3.33Å; T896-N898 PolarHBondContact O-N 3.41Å; T896-T899 VanDerWaalsContact CA-OG1 3.32Å; T896-T899 WeakPolarHBondContact CA-OG1 3.28Å; T896-T899 PolarHBondContact O-N 2.74Å; T896-T899 PolarHBondContact O-OG1 2.85Å; T896-M900 HydrophobicContact CG2-CE 3.97Å; T896-M900 HydrophobicContact CG2-CG 4.49Å; T896-M900 HydrophobicContact CG2-SD 4.23Å; T896-M900 WeakPolarHBondContact O-CB 3.42Å; T896-M900 VanDerWaalsContact O-CG 3.31Å; T896-M900 WeakPolarHBondContact O-CG 3.39Å; T896-M900 PolarHBondContact O-N 2.65Å
897L59Low51.5Low17 Ų1794.3 Ų94.39%0.08952%0.518CS..Hα-helixtrans-59.1-41.3174.4-78.4172.5000112.5F893 R895 M900 G901 L902 L906F893-L897 HydrophobicContact CD1-CD1 3.89Å; F893-L897 HydrophobicContact CE1-CD1 3.5Å; F893-L897 HydrophobicContact CE1-CG 4.2Å; F893-L897 HydrophobicContact CZ-CD1 3.99Å; F893-L897 HydrophobicContact CZ-CG 4.27Å; F893-L897 PolarHBondContact O-N 3.36Å; R895-L897 PolarHBondContact O-N 3.25Å; L897-M900 HydrophobicContact CD2-CE 4.06Å; L897-M900 PolarHBondContact O-N 3.29Å; L897-G901 PolarHBondContact O-N 2.82Å; L897-L902 HydrophobicContact CD2-CB 3.86Å; L897-L902 HydrophobicContact CD2-CD1 4.27Å; L897-L902 PolarHBondContact O-N 3.01Å; L897-L906 HydrophobicContact CD1-CD1 3.95Å; L897-L906 HydrophobicContact CD1-CG 4.49Å
898N62.6Low50.9Low98 Ų9899.9 Ų99.952%0.52454%0.543SS..Hα-helixtrans-65.8-41.6176.3-72.5-1.5000112K894 R895 T896 M900 G901K894-N898 VanDerWaalsContact O-CG 3.3Å; K894-N898 PolarHBondContact O-N 2.94Å; K894-N898 PolarHBondContact O-OD1 3.34Å; R895-N898 WeakPolarHBondContact O-CB 3.39Å; R895-N898 PolarHBondContact O-N 3.34Å; R895-N898 VanDerWaalsContact O-N 3.14Å; T896-N898 VanDerWaalsContact C-N 3.33Å; T896-N898 PolarHBondContact O-N 3.41Å; N898-M900 VanDerWaalsContact C-N 3.3Å; N898-M900 PolarHBondContact O-N 2.83Å; N898-G901 PolarHBondContact O-N 3.18Å
899T67.7Low50.5Low122 Ų122100.3 Ų100.375%0.74855%0.553SS**Hα-helixtrans-69-24.2174.7440000113.9R895 T896 G901R895-T899 PolarHBondContact O-N 2.96Å; R895-T899 PolarHBondContact O-OG1 2.83Å; T896-T899 VanDerWaalsContact CA-OG1 3.32Å; T896-T899 WeakPolarHBondContact CA-OG1 3.28Å; T896-T899 PolarHBondContact O-N 2.74Å; T896-T899 PolarHBondContact O-OG1 2.85Å; T899-G901 VanDerWaalsContact C-N 3.28Å; T899-G901 PolarHBondContact O-N 3.35Å
900M54.4Low49.8Very low108 Ų108103.1 Ų103.153%0.53257%0.567SS.*THydrogen-bonded Turntrans-85.67.3175.3-68.6-173-56.900113.5T896 L897 N898 L902T896-M900 HydrophobicContact CG2-CE 3.97Å; T896-M900 HydrophobicContact CG2-CG 4.49Å; T896-M900 HydrophobicContact CG2-SD 4.23Å; T896-M900 WeakPolarHBondContact O-CB 3.42Å; T896-M900 VanDerWaalsContact O-CG 3.31Å; T896-M900 WeakPolarHBondContact O-CG 3.39Å; T896-M900 PolarHBondContact O-N 2.65Å; L897-M900 HydrophobicContact CD2-CE 4.06Å; L897-M900 PolarHBondContact O-N 3.29Å; N898-M900 VanDerWaalsContact C-N 3.3Å; N898-M900 PolarHBondContact O-N 2.83Å; M900-L902 HydrophobicContact CB-CD1 4.14Å; M900-L902 HydrophobicContact CB-CG 4.39Å; M900-L902 HydrophobicContact CE-CD1 4.21Å; M900-L902 PolarHBondContact O-N 2.67Å; M900-L902 VanDerWaalsContact O-N 3.17Å
901G41.7Very low48.9Very low62 Ų62108.6 Ų108.664%0.63958%0.584SS**THydrogen-bonded Turntrans69.55.7-176.200000114.7L897 N898 T899 G903L897-G901 PolarHBondContact O-N 2.82Å; N898-G901 PolarHBondContact O-N 3.18Å; T899-G901 VanDerWaalsContact C-N 3.28Å; T899-G901 PolarHBondContact O-N 3.35Å; G901-G903 VanDerWaalsContact C-N 3.34Å; G901-G903 PolarHBondContact O-N 3.37Å
902L52.5Low47.2Very low76 Ų76109.1 Ų109.140%0.39860%0.595SS.*  trans-91.611.4-175.1-71.9168.9000113.5L897 M900 C904 L905L897-L902 HydrophobicContact CD2-CB 3.86Å; L897-L902 HydrophobicContact CD2-CD1 4.27Å; L897-L902 PolarHBondContact O-N 3.01Å; M900-L902 HydrophobicContact CB-CD1 4.14Å; M900-L902 HydrophobicContact CB-CG 4.39Å; M900-L902 HydrophobicContact CE-CD1 4.21Å; M900-L902 PolarHBondContact O-N 2.67Å; M900-L902 VanDerWaalsContact O-N 3.17Å; L902-C904 PolarHBondContact O-N 2.89Å; L902-C904 VanDerWaalsContact O-N 3.07Å; L902-L905 HydrophobicContact CD2-CD1 4.26Å; L902-L905 PolarHBondContact O-N 3.08Å; L902-L905 VanDerWaalsContact O-N 3.08Å
903G45.7Very low45.9Very low26 Ų26113.5 Ų113.527%0.26861%0.607SS.*G310 helixtrans-56.2-24.9179.900000114.4G901 L905 L906G901-G903 VanDerWaalsContact C-N 3.34Å; G901-G903 PolarHBondContact O-N 3.37Å; G903-L905 PolarHBondContact O-N 2.76Å; G903-L905 VanDerWaalsContact O-N 3.1Å; G903-L906 PolarHBondContact O-N 3.4Å; G903-L906 VanDerWaalsContact O-N 3.1Å
904C44.1Very low44.4Very low117 Ų117111.8 Ų111.879%0.79161%0.612SS**G310 helixtrans-61.1-15.5175.9-57.40000114.4L902 L906L902-C904 PolarHBondContact O-N 2.89Å; L902-C904 VanDerWaalsContact O-N 3.07Å; C904-L906 VanDerWaalsContact C-N 3.28Å; C904-L906 PolarHBondContact O-N 3.33Å
905L40.1Very low42.7Very low103 Ų103115.1 Ų115.154%0.53963%0.629SS.*G310 helixtrans-81.1-0.6175.2-65.3175.7000114F228 L902 G903F228-L905 HydrophobicContact CZ-CD1 4.37Å; L902-L905 HydrophobicContact CD2-CD1 4.26Å; L902-L905 PolarHBondContact O-N 3.08Å; L902-L905 VanDerWaalsContact O-N 3.08Å; G903-L905 PolarHBondContact O-N 2.76Å; G903-L905 VanDerWaalsContact O-N 3.1Å
906L35.7Very low41.2Very low80 Ų80111.6 Ų111.642%0.41963%0.628SS.*  trans-120.761.7-177.8-67.7177.5000112.6K894 L897 G903 C904K894-L906 HydrophobicContact CD-CD1 4.18Å; K894-L906 HydrophobicContact CG-CD1 3.84Å; L897-L906 HydrophobicContact CD1-CD1 3.95Å; L897-L906 HydrophobicContact CD1-CG 4.49Å; G903-L906 PolarHBondContact O-N 3.4Å; G903-L906 VanDerWaalsContact O-N 3.1Å; C904-L906 VanDerWaalsContact C-N 3.28Å; C904-L906 PolarHBondContact O-N 3.33Å
907N33.5Very low39.7Very low141 Ų141116.8 Ų116.875%0.75465%0.653SS**  trans-133.6156.6166.6-98.1-38.5000111.4
908L31Very low38.2Very low172 Ų172123.2 Ų123.290%0.90169%0.687SS**SBendtrans64.3133.1-165.7-59.5102.5000116.1
909S30.6Very low36.4Very low108 Ų108126.3 Ų126.376%0.75570%0.702SS**  cis-156.2129.2-39.2-1670000108.7
910T26.8Very low34.5Very low136 Ų136125.3 Ų125.383%0.83470%0.699SS**  trans-87.9125.9172.446.40000111
911K30Very low33.2Very low201 Ų201129 Ų12987%0.87471%0.712SS**  trans-121.3136.6163.1-88.3-175.7175.1175.10110.4
912T24.9Very low32.4Very low118 Ų118134.8 Ų134.872%0.72472%0.72SS**  trans-130.1127.4-169.848.30000111.3
913Y30.5Very low31.1Very low222 Ų222137.8 Ų137.887%0.87174%0.736SS**  trans-149113.2157.6-77.8-85.7000104.9
914S31Very low30.3Very low96 Ų96145.8 Ų145.867%0.67177%0.767SS**  79.296.356.377.30000113.8
915E28.8Very low29.5Very low188 Ų188146 Ų14688%0.87976%0.76SS**  trans42163139.5-65.6-157.4144.300122.9
916P32.3Very low29.1Very low91 Ų91147.1 Ų147.159%0.59177%0.773SS**  cis-134.7158.9-44.136.9-22.5000112.6
917N32Very low28.6Very low171 Ų171150.1 Ų150.191%0.91479%0.785SS**  trans-160.492.2149.3-110.8-45.5000110.4
918L26.2Very low28.4Very low151 Ų151154.5 Ų154.579%0.79179%0.791SS**  trans-85.3130.8166.5-77.676.9000108.7
919L25.7Very low28.3Very low164 Ų164152.8 Ų152.886%0.85979%0.788SS**  trans173.4156.3130.8-94.2157.6000110.9
920C27.7Very low28.2Very low100 Ų100155.2 Ų155.268%0.67679%0.785SS**  trans60.7122.8174.1-710000117
921F25.9Very low28.2Very low186 Ų186156.6 Ų156.682%0.81679%0.786SS**  cis-142.9136-0.5-101.1-78.2000110.9
922K25.6Very low28.2Very low184 Ų184155.1 Ų155.180%0.878%0.78SS**SBendtrans-74.7151.3142.9-78.5179.5174.41750108.1
923N25.5Very low28.3Very low138 Ų138159 Ų15974%0.73878%0.782SS**  trans80.585.3167.8-47.8-21.9000118.2
924Q28.1Very low28.2Very low194 Ų194153.4 Ų153.491%0.90778%0.776SS**  trans-157.9119.1141.3-87.6-17627.600106.2
925L26.9Very low28Very low122 Ų122154.2 Ų154.264%0.63978%0.781SS**  cis72.369.4-2.7-127.5-179000118.1Q927L925-Q927 HydrophobicContact CD2-CB 3.68Å; L925-Q927 HydrophobicContact CD2-CG 4.24Å; L925-Q927 PolarHBondContact O-N 3.4Å
926P32.7Very low28Very low127 Ų127153 Ų15383%0.82578%0.78SS**  trans-7691.7156.532.2-31.7000110.6R928P926-R928 PolarHBondContact O-N 2.87Å
927Q25.5Very low27.7Very low143 Ų143157 Ų15767%0.66879%0.791SS**  trans-90.789.2167.5-143.6-161.176.600110.7L925L925-Q927 HydrophobicContact CD2-CB 3.68Å; L925-Q927 HydrophobicContact CD2-CG 4.24Å; L925-Q927 PolarHBondContact O-N 3.4Å
928R28.6Very low27.5Very low233 Ų233156.7 Ų156.788%0.87978%0.783SS**  trans-171.6127.8169.3-103.8157177.5176.6-0.7107.1P926P926-R928 PolarHBondContact O-N 2.87Å
929T29.9Very low27.5Very low135 Ų135156.8 Ų156.883%0.82878%0.784SS**  cis-108.5136.2-0.547.70000110
930K27.1Very low27.6Very low160 Ų160152.3 Ų152.370%0.69677%0.771SS**  cis81.1137.925.7-141.4177.2-167.6-176.40114.7
931L27.9Very low27.6Very low164 Ų164154 Ų15486%0.85977%0.772SS**  trans79.6130.7-169.1-53.5171.3000113.6
932K29.1Very low27.6Very low171 Ų171152.1 Ų152.174%0.74377%0.77SS**  cis-133.1153.311.9-81-172.8173.7179.40113.8
933Y27.7Very low27.8Very low198 Ų198151.8 Ų151.878%0.77677%0.771SS**  trans33.3126.2159.6-56-65000120.5
934S28.2Very low28.1Very low106 Ų106151.4 Ų151.474%0.74177%0.769SS**  cis84.7141.821.6-43.90000116.7
935S27.9Very low28Very low112 Ų112148.5 Ų148.578%0.78377%0.77SS**  trans78.1134.9179.8-51.60000114.8
936L28.4Very low28.1Very low162 Ų162146.7 Ų146.785%0.84877%0.768SS**  cis-133.9160.95.1-73.5173.8000113.4
937Q25.9Very low28Very low175 Ų175148.3 Ų148.382%0.81877%0.767SS**  trans-117.4179.9152.7-82.9-174.3-54.900108.8
938H26.7Very low28Very low165 Ų165151 Ų15176%0.76478%0.777SS**  trans72.1142-162.1-53.2-101000111.7
939L27.3Very low27.9Very low153 Ų153143.8 Ų143.880%0.80177%0.767SS**  cis-114.7159.96.5-69.5159.5000109
940A27.4Very low27.7Very low70 Ų70145.2 Ų145.258%0.57977%0.769SS**  58.3137.456.400000112.8
941I28.1Very low27.9Very low136 Ų136142.4 Ų142.470%0.69777%0.767SS**  cis-163.2161.1-3.8-121.5167.9000108.4
942D25.5Very low27.7Very low147 Ų147139.6 Ų139.679%0.78676%0.757SS**  trans60173167.5-64.1-17.5000121.1
943E29Very low27.6Very low176 Ų176141.4 Ų141.482%0.82277%0.765SS**  trans63.5124.6176.8-64.4-163.7-170.100118.9
944L31.4Very low27.5Very low131 Ų131140.3 Ų140.369%0.68676%0.764SS**  cis-131.1129.5-3.5-76.1105.5000112.5S946L944-S946 PolarHBondContact O-N 3.13Å; L944-S946 VanDerWaalsContact O-N 3.1Å
945S26.3Very low27.5Very low132 Ų132142.3 Ų142.392%0.92377%0.766SS**  trans-82.657158.954.40000111.2
946S29.4Very low27.4Very low85 Ų85143.5 Ų143.559%0.59476%0.762SS**  trans-159.1132.6172.2-77.40000106.3L944L944-S946 PolarHBondContact O-N 3.13Å; L944-S946 VanDerWaalsContact O-N 3.1Å
947I30.7Very low27.5Very low160 Ų160143.3 Ų143.382%0.82176%0.762SS**  cis-134.2144.444.4-74.7155.1000111.8
948K25.6Very low27.5Very low201 Ų201143.9 Ų143.987%0.87476%0.762SS**  trans-90136.6161.9-75176.7178171.80110.1
949A25.6Very low27.5Very low81 Ų81142.6 Ų142.667%0.66976%0.756SS**  trans68.8173.5154.300000119.2
950L26.1Very low27.5Very low164 Ų164143.6 Ų143.686%0.85975%0.754SS**  trans73.2154.7173.9-88.366.9000117.4
951P30.7Very low27.6Very low102 Ų102148.1 Ų148.166%0.66277%0.767SS**  trans-143-166.7-132.541.9-19.6000115.3
952T24.5Very low27.5Very low105 Ų105148.6 Ų148.664%0.64477%0.771SS**  trans55.1102.4151.7-450000118.3K954T952-K954 HydrophobicContact CG2-CG 4.47Å
953F27.9Very low27.5Very low208 Ų208148.5 Ų148.591%0.91277%0.771SS**  trans-118.6113.1137.4-97.7-87000110.2
954K25.2Very low27.3Very low176 Ų176145.9 Ų145.977%0.76577%0.767SS**  trans-83.3153.3155.6-69.4174.6177.6171.80107.3T952T952-K954 HydrophobicContact CG2-CG 4.47Å
955L27.7Very low26.9Very low148 Ų148145.1 Ų145.178%0.77577%0.769SS**  -177.1125120.9-92.8154.4000109.2
956I26.1Very low26.9Very low137 Ų137144.1 Ų144.170%0.70376%0.757SS**  trans52.9114.1143.1-60.6175.6000116.4
957N31Very low26.6Very low157 Ų157149.4 Ų149.484%0.8477%0.77SS**  cis-136.4151.349.8-107.1-45.6000115
958K25.3Very low26.4Very low188 Ų188149.2 Ų149.282%0.81777%0.769SS**  trans-81.5153.5158.8-59.6173.8177.6174.60107.4
959E26.9Very low26.4Very low137 Ų137144 Ų14464%0.6476%0.758SS**  -176.3161.865.8-75.7-169.2152.200110.7
960K27.8Very low26.4Very low175 Ų175149.1 Ų149.176%0.76177%0.765SS**  trans65128.4161.5-64.6143.3179.5157.80115.9
961L29.7Very low26.3Very low165 Ų165148 Ų14886%0.86476%0.759SS**  cis-126.9153.81-74.993.5000111.8
962N25.3Very low26.1Very low145 Ų145151.7 Ų151.778%0.77577%0.773SS**  trans-91.8154.9168.7-70.2-34.9000111.1
963N25.1Very low26.1Very low146 Ų146154.2 Ų154.278%0.78178%0.782SS**  trans67.8151.3161.9-55.1-21.4000114.2
964V25.6Very low26Very low121 Ų121152.4 Ų152.473%0.73377%0.774SS**  cis-132.5138.144.9177.90000113.2V966V964-V966 HydrophobicContact CG1-CG2 4.21Å
965P23.1Very low25.9Very low114 Ų114148.9 Ų148.974%0.7477%0.771SS**  trans-84.2111.516833-30.9000111.1K967P965-K967 PolarHBondContact O-N 2.88Å
966V25.9Very low25.8Very low111 Ų111148.5 Ų148.567%0.67377%0.77SS**  trans-93.396.3-177.8-166.20000111.7V964 I968V964-V966 HydrophobicContact CG1-CG2 4.21Å; V966-I968 HydrophobicContact CG1-CD1 4.49Å; V966-I968 HydrophobicContact CG1-CG1 3.58Å; V966-I968 PolarHBondContact O-N 3.06Å; V966-I968 VanDerWaalsContact O-N 3.14Å
967K22.8Very low25.8Very low196 Ų196152 Ų15285%0.85278%0.78SS**  trans-61.9103.7148.9-78.3179.4175.5177.20107.2P965 S969P965-K967 PolarHBondContact O-N 2.88Å; K967-S969 PolarHBondContact O-N 2.96Å; K967-S969 VanDerWaalsContact O-N 3.15Å
968I27.4Very low25.6Very low156 Ų156153.1 Ų153.180%0.878%0.78SS**  trans-79.496.6164.5-58.8-177.5000106.6V966V966-I968 HydrophobicContact CG1-CD1 4.49Å; V966-I968 HydrophobicContact CG1-CG1 3.58Å; V966-I968 PolarHBondContact O-N 3.06Å; V966-I968 VanDerWaalsContact O-N 3.14Å
969S23.8Very low25.6Very low92 Ų92150.5 Ų150.564%0.64377%0.771SS**  trans-61.3159.5177.3-59.80000111.8K967K967-S969 PolarHBondContact O-N 2.96Å; K967-S969 VanDerWaalsContact O-N 3.15Å
970K26.5Very low25.8Very low188 Ų188148.3 Ų148.382%0.81777%0.771SS**SBendtrans-59.1157152.5-62.6177.9179.3-1800108.6
971N23.8Very low26Very low140 Ų140145.1 Ų145.175%0.74976%0.762SS**  trans7794.2178.1-43.6-7.4000114.6
972L26.5Very low26.1Very low181 Ų181140 Ų14095%0.94874%0.737SS**  trans-122.4132.1130.3-11989.2000106.4
973L24.5Very low26.9Very low158 Ų158136.1 Ų136.183%0.82772%0.722SS**  trans-75155.6-176.5-96.365.6000111.9
974F26.5Very low27.6Very low170 Ų170132.4 Ų132.475%0.74670%0.704SS**  trans-60138.1158.1-81.2-93.5000110.5
975S23.6Very low28.6Very low102 Ų102129.9 Ų129.971%0.71369%0.686SS**  trans-156.6162139.7-157.30000110.6
976N25.3Very low29.5Very low140 Ų140126.4 Ų126.475%0.74967%0.665SS**SBendtrans68.883.3172.6-56.2-24.6000117.6E978N976-E978 PolarHBondContact O-N 3.25Å
977K25.2Very low30.4Very low210 Ų210122.4 Ų122.491%0.91364%0.64SS**SBendtrans10.4104.6137.7-59.5171.2179.6174.80117.1
978E26.3Very low31.4Very low180 Ų180116.7 Ų116.784%0.84162%0.618SS**  trans17431.8140.2-100.3179-158.900113.3N976 S980N976-E978 PolarHBondContact O-N 3.25Å; E978-S980 PolarHBondContact O-N 3.08Å
979E25.3Very low32.3Very low133 Ų133117.4 Ų117.462%0.62161%0.611SS**THydrogen-bonded Turntrans-102.870.6-159.4-62.8-142.499.300116.2T982E979-T982 HydrophobicContact CG-CG2 4.22Å; E979-T982 WeakPolarHBondContact OE1-CB 3.19Å; E979-T982 WeakPolarHBondContact OE1-CG2 3.49Å; E979-T982 PolarHBondContact OE1-OG1 3.01Å
980S32.2Very low33.2Very low92 Ų92118.5 Ų118.564%0.64360%0.601SS**THydrogen-bonded Turntrans-104-31.8158.161.30000112.8E978E978-S980 PolarHBondContact O-N 3.08Å
981N32.2Very low34Very low107 Ų107111.5 Ų111.557%0.57257%0.574SS**SBendtrans-98.1-23.8-172.5-69.6-43.5000114.3S983 V984 I985N981-S983 VanDerWaalsContact C-N 3.33Å; N981-S983 PolarHBondContact O-N 3.4Å; N981-V984 PolarHBondContact O-N 3.17Å; N981-I985 HydrophobicContact CB-CD1 4.13Å; N981-I985 VanDerWaalsContact O-CG1 3.31Å; N981-I985 WeakPolarHBondContact O-CG1 3.25Å; N981-I985 PolarHBondContact O-N 2.95Å
982T31.9Very low34.9Very low57 Ų57109.1 Ų109.135%0.3556%0.561SS.*Hα-helixtrans-60.8-38.3-174.348.50000113E979 I985 S986E979-T982 HydrophobicContact CG-CG2 4.22Å; E979-T982 WeakPolarHBondContact OE1-CB 3.19Å; E979-T982 WeakPolarHBondContact OE1-CG2 3.49Å; E979-T982 PolarHBondContact OE1-OG1 3.01Å; T982-I985 PolarHBondContact O-N 3.05Å; T982-S986 WeakPolarHBondContact O-CB 3.23Å; T982-S986 PolarHBondContact O-N 3.07Å
983S41.6Very low35.7Very low64 Ų64104.2 Ų104.245%0.44854%0.542SS..Hα-helixtrans-59.8-51.4175.6-178.90000112.2N981 I985 S986 V987N981-S983 VanDerWaalsContact C-N 3.33Å; N981-S983 PolarHBondContact O-N 3.4Å; S983-I985 PolarHBondContact O-N 3.4Å; S983-S986 WeakPolarHBondContact O-CB 3.44Å; S983-S986 PolarHBondContact O-N 3.39Å; S983-S986 VanDerWaalsContact O-N 3.13Å; S983-S986 PolarHBondContact O-OG 3.39Å; S983-V987 PolarHBondContact O-N 3.23Å
984V40.5Very low36.6Very low68 Ų68101.9 Ų101.941%0.41253%0.525SS..Hα-helixtrans-62.7-43.9178.9-178.30000110.9N981 S986 V987 I988N981-V984 PolarHBondContact O-N 3.17Å; V984-S986 VanDerWaalsContact C-N 3.29Å; V984-S986 PolarHBondContact O-N 3.02Å; V984-V987 PolarHBondContact O-N 2.98Å; V984-I988 HydrophobicContact CG1-CD1 4.03Å; V984-I988 WeakPolarHBondContact O-CG1 3.5Å; V984-I988 PolarHBondContact O-N 3.42Å
985I46Very low37.1Very low69 Ų6998 Ų9835%0.35452%0.519SS..Hα-helixtrans-64.3-35.1176.4-63.2167.2000110.9N981 T982 S983 V987 I988 R989N981-I985 HydrophobicContact CB-CD1 4.13Å; N981-I985 VanDerWaalsContact O-CG1 3.31Å; N981-I985 WeakPolarHBondContact O-CG1 3.25Å; N981-I985 PolarHBondContact O-N 2.95Å; T982-I985 PolarHBondContact O-N 3.05Å; S983-I985 PolarHBondContact O-N 3.4Å; I985-V987 VanDerWaalsContact C-N 3.35Å; I985-I988 PolarHBondContact O-N 2.9Å; I985-R989 HydrophobicContact CG2-CG 4.31Å; I985-R989 VanDerWaalsContact CG2-CZ 3.41Å; I985-R989 WeakPolarHBondContact O-CB 3.42Å; I985-R989 VanDerWaalsContact O-CG 3.29Å; I985-R989 WeakPolarHBondContact O-CG 3.45Å; I985-R989 PolarHBondContact O-N 3.39Å
986S42.4Very low37.8Very low41 Ų4197.7 Ų97.729%0.28752%0.517SS..Hα-helixtrans-64.4-38.8174.488.10000111.9T982 S983 V984 R990T982-S986 WeakPolarHBondContact O-CB 3.23Å; T982-S986 PolarHBondContact O-N 3.07Å; S983-S986 WeakPolarHBondContact O-CB 3.44Å; S983-S986 PolarHBondContact O-N 3.39Å; S983-S986 VanDerWaalsContact O-N 3.13Å; S983-S986 PolarHBondContact O-OG 3.39Å; V984-S986 VanDerWaalsContact C-N 3.29Å; V984-S986 PolarHBondContact O-N 3.02Å; S986-R990 WeakPolarHBondContact O-CB 3.49Å; S986-R990 PolarHBondContact O-N 2.79Å
987V43.1Very low38.3Very low26 Ų2696.4 Ų96.416%0.15851%0.51CS..Hα-helixtrans-66.4-44.1174.9174.70000110.4S983 V984 I985 R990 V991 L1016S983-V987 PolarHBondContact O-N 3.23Å; V984-V987 PolarHBondContact O-N 2.98Å; I985-V987 VanDerWaalsContact C-N 3.35Å; V987-R990 PolarHBondContact O-N 2.86Å; V987-V991 HydrophobicContact CG1-CG2 4.47Å; V987-V991 WeakPolarHBondContact O-CB 3.14Å; V987-V991 VanDerWaalsContact O-CG2 3.32Å; V987-V991 WeakPolarHBondContact O-CG2 3.29Å; V987-V991 PolarHBondContact O-N 3.12Å; V987-L1016 HydrophobicContact CG1-CD1 4.39Å; V987-L1016 HydrophobicContact CG2-CD1 4.13Å; V987-L1016 HydrophobicContact CG2-CD2 3.84Å
988I44.7Very low38.6Very low77 Ų7789.4 Ų89.440%0.39550%0.497SS..Hα-helixtrans-62.6-46.1176.4-66.9166.8000111V984 I985 R990 V991 N992V984-I988 HydrophobicContact CG1-CD1 4.03Å; V984-I988 WeakPolarHBondContact O-CG1 3.5Å; V984-I988 PolarHBondContact O-N 3.42Å; I985-I988 PolarHBondContact O-N 2.9Å; I988-R990 VanDerWaalsContact C-N 3.34Å; I988-R990 PolarHBondContact O-N 2.96Å; I988-V991 PolarHBondContact O-N 2.59Å; I988-N992 WeakPolarHBondContact O-CB 3.5Å; I988-N992 PolarHBondContact O-N 2.67Å
989R46.5Very low39Very low170 Ų17089.3 Ų89.364%0.64250%0.496SS*.Hα-helixtrans-59.5-42.1174.1-73.7174-177.2147.10.7111.8I985 N992 S993I985-R989 HydrophobicContact CG2-CG 4.31Å; I985-R989 VanDerWaalsContact CG2-CZ 3.41Å; I985-R989 WeakPolarHBondContact O-CB 3.42Å; I985-R989 VanDerWaalsContact O-CG 3.29Å; I985-R989 WeakPolarHBondContact O-CG 3.45Å; I985-R989 PolarHBondContact O-N 3.39Å; R989-N992 CarbonylContact O-C 3.31Å; R989-N992 WeakPolarHBondContact O-CA 3.44Å; R989-N992 PolarHBondContact O-N 2.93Å; R989-N992 VanDerWaalsContact O-N 3.12Å; R989-S993 PolarHBondContact O-N 3.23Å
990R42.4Very low39.5Very low116 Ų11685.4 Ų85.444%0.43848%0.482SS..Hα-helixtrans-70.9-32.7178.6-166.7179.5-63.9159.70.8112.9S986 V987 I988 N992 S993 F994S986-R990 WeakPolarHBondContact O-CB 3.49Å; S986-R990 PolarHBondContact O-N 2.79Å; V987-R990 PolarHBondContact O-N 2.86Å; I988-R990 VanDerWaalsContact C-N 3.34Å; I988-R990 PolarHBondContact O-N 2.96Å; R990-N992 VanDerWaalsContact C-N 3.28Å; R990-S993 PolarHBondContact O-OG 2.94Å; R990-F994 WeakPolarHBondContact O-CD2 3.42Å
991V44.1Very low40.1Very low41 Ų4184.1 Ų84.125%0.24847%0.473CS..Hα-helixtrans-67.5-30.8168.1165.40000111V987 I988 F1008 K1067V987-V991 HydrophobicContact CG1-CG2 4.47Å; V987-V991 WeakPolarHBondContact O-CB 3.14Å; V987-V991 VanDerWaalsContact O-CG2 3.32Å; V987-V991 WeakPolarHBondContact O-CG2 3.29Å; V987-V991 PolarHBondContact O-N 3.12Å; I988-V991 PolarHBondContact O-N 2.59Å; V991-F1008 HydrophobicContact CG2-CE1 4.19Å; V991-F1008 HydrophobicContact CG2-CZ 4.34Å; V991-K1067 HydrophobicContact CG1-CD 3.77Å; V991-K1067 PolarHBondContact O-NZ 3.3Å
992N41.8Very low40.6Very low90 Ų9081.6 Ų81.648%0.48146%0.464SS..Hα-helixtrans-82.2-36.5178.7-72.5-16000114.1I988 R989 R990 F994 S995 K1067I988-N992 WeakPolarHBondContact O-CB 3.5Å; I988-N992 PolarHBondContact O-N 2.67Å; R989-N992 CarbonylContact O-C 3.31Å; R989-N992 WeakPolarHBondContact O-CA 3.44Å; R989-N992 PolarHBondContact O-N 2.93Å; R989-N992 VanDerWaalsContact O-N 3.12Å; R990-N992 VanDerWaalsContact C-N 3.28Å; N992-F994 VanDerWaalsContact C-N 3.29Å; N992-F994 PolarHBondContact O-N 2.84Å; N992-S995 WeakPolarHBondContact O-CB 3.4Å; N992-S995 PolarHBondContact O-N 2.74Å; N992-K1067 PolarHBondContact OD1-NZ 3.31Å
993S44.5Very low41.1Very low77 Ų7785 Ų8554%0.53848%0.478SS..Hα-helixtrans-66.1-27.3176.863.10000113.8R989 R990 S995 S996R989-S993 PolarHBondContact O-N 3.23Å; R990-S993 PolarHBondContact O-OG 2.94Å; S993-S995 PolarHBondContact O-N 2.88Å; S993-S995 VanDerWaalsContact O-N 3.09Å; S993-S996 PolarHBondContact O-OG 3.07Å
994F41.5Very low41.4Very low109 Ų10987.5 Ų87.548%0.47848%0.481SS..G310 helixtrans-65.6-5.9171.9-94.5-101.9000114.3R990 N992 F1008R990-F994 WeakPolarHBondContact O-CD2 3.42Å; N992-F994 VanDerWaalsContact C-N 3.29Å; N992-F994 PolarHBondContact O-N 2.84Å; F994-F1008 HydrophobicContact CB-CE2 4.48Å; F994-F1008 HydrophobicContact CD1-CD2 4.11Å; F994-F1008 AromaticContact CD1-CE2 3.8Å; F994-F1008 HydrophobicContact CD1-CE2 3.8Å; F994-F1008 AromaticContact CD2-CE2 3.77Å; F994-F1008 HydrophobicContact CD2-CE2 3.77Å; F994-F1008 HydrophobicContact CD2-CZ 4.39Å; F994-F1008 HydrophobicContact CE1-CD2 4.04Å; F994-F1008 AromaticContact CE1-CE2 3.88Å; F994-F1008 HydrophobicContact CE1-CE2 3.88Å; F994-F1008 AromaticContact CE2-CE2 3.84Å; F994-F1008 HydrophobicContact CE2-CE2 3.84Å; F994-F1008 HydrophobicContact CG-CD2 4.48Å; F994-F1008 AromaticContact CG-CE2 3.74Å; F994-F1008 HydrophobicContact CG-CE2 3.74Å; F994-F1008 HydrophobicContact CG-CZ 4.46Å; F994-F1008 HydrophobicContact CZ-CD2 4.35Å; F994-F1008 AromaticContact CZ-CE2 3.89Å; F994-F1008 HydrophobicContact CZ-CE2 3.89Å
995S38.8Very low41.5Very low89 Ų8986 Ų8662%0.62247%0.468SS*.G310 helixtrans-80.7-8.8-176.4-152.10000115N992 S993N992-S995 WeakPolarHBondContact O-CB 3.4Å; N992-S995 PolarHBondContact O-N 2.74Å; S993-S995 PolarHBondContact O-N 2.88Å; S993-S995 VanDerWaalsContact O-N 3.09Å
996S37Very low41.5Very low95 Ų9584.8 Ų84.866%0.66446%0.461SS*.G310 helixtrans-76.9-21.3178.556.30000113.9S993S993-S996 PolarHBondContact O-OG 3.07Å
997N35.5Very low41.7Very low114 Ų11486.1 Ų86.161%0.6147%0.471SS*.SBendtrans-102.898.1-166.7-65.59.5000110.1
998G32Very low41.7Very low62 Ų6286.4 Ų86.464%0.63947%0.47SS*.  trans-57.3158.318000000114.1
999H34.8Very low41.6Very low178 Ų17886 Ų8682%0.82447%0.468SS*.  trans71.765.6171-54.123.5000115.5
1000T35.8Very low41.7Very low52 Ų5287 Ų8732%0.31947%0.472SS..  trans-123.987.1172.451.40000113.6K1004 Y1071T1000-K1004 HydrophobicContact CG2-CD 4.24Å; T1000-Y1071 VanDerWaalsContact C-OH 3.22Å; T1000-Y1071 PolarHBondContact N-OH 3.14Å; T1000-Y1071 VanDerWaalsContact N-OH 3.11Å; T1000-Y1071 WeakPolarHBondContact O-CE1 3.49Å; T1000-Y1071 VanDerWaalsContact O-CZ 3.31Å; T1000-Y1071 PolarHBondContact O-OH 2.97Å
1001S44.6Very low41.6Very low64 Ų6488.1 Ų88.145%0.44848%0.48SS..  trans-38.7142.2171.857.90000114.2I1003 K1004S1001-I1003 PolarHBondContact O-N 2.9Å; S1001-K1004 WeakPolarHBondContact O-CA 3.41Å; S1001-K1004 WeakPolarHBondContact O-CB 3.37Å; S1001-K1004 PolarHBondContact O-N 3.24Å
1002S42.4Very low41.5Very low55 Ų5589.1 Ų89.139%0.38548%0.48SS..Hα-helixtrans-42.4-35.9-178.6175.70000115.7K1004 Y1005 H1006S1002-K1004 VanDerWaalsContact C-N 3.33Å; S1002-K1004 PolarHBondContact O-N 3.34Å; S1002-Y1005 PolarHBondContact O-N 3.11Å; S1002-H1006 PolarHBondContact O-CD2 3.09Å; S1002-H1006 PolarHBondContact O-N 3.36Å; S1002-H1006 VanDerWaalsContact O-N 3.16Å
1003I44.2Very low41.6Very low128 Ų12886 Ų8666%0.65647%0.465SS*.Hα-helixtrans-57.3-43.1174.9-58.8173.7000111.9S1001 H1006 S1007S1001-I1003 PolarHBondContact O-N 2.9Å; I1003-H1006 PolarHBondContact O-N 3.36Å; I1003-S1007 PolarHBondContact O-N 3.16Å
1004K46.5Very low41.4Very low116 Ų11685.6 Ų85.650%0.50446%0.462SS..Hα-helixtrans-65.4-41.6177.5-66.7-179.8-178178.40111.3T1000 S1001 S1002 H1006 S1007 F1008T1000-K1004 HydrophobicContact CG2-CD 4.24Å; S1001-K1004 WeakPolarHBondContact O-CA 3.41Å; S1001-K1004 WeakPolarHBondContact O-CB 3.37Å; S1001-K1004 PolarHBondContact O-N 3.24Å; S1002-K1004 VanDerWaalsContact C-N 3.33Å; S1002-K1004 PolarHBondContact O-N 3.34Å; K1004-H1006 VanDerWaalsContact C-N 3.3Å; K1004-H1006 PolarHBondContact O-N 3.27Å; K1004-S1007 WeakPolarHBondContact O-CA 3.32Å; K1004-S1007 WeakPolarHBondContact O-CB 3.34Å; K1004-S1007 PolarHBondContact O-N 2.84Å; K1004-S1007 VanDerWaalsContact O-N 3.08Å; K1004-S1007 PolarHBondContact O-OG 3Å; K1004-F1008 PolarHBondContact O-N 3.12Å
1005Y42.5Very low41.2Very low36 Ų3684.1 Ų84.114%0.14146%0.459CS..Hα-helixtrans-61.2-37.2176.4-167-97.9000112.5S1002 F1008 L1009S1002-Y1005 PolarHBondContact O-N 3.11Å; Y1005-F1008 WeakPolarHBondContact O-CB 3.34Å; Y1005-F1008 PolarHBondContact O-N 3.31Å; Y1005-L1009 HydrophobicContact CD1-CD1 3.98Å; Y1005-L1009 HydrophobicContact CD1-CG 4.4Å; Y1005-L1009 HydrophobicContact CE1-CD1 3.8Å; Y1005-L1009 HydrophobicContact CE1-CG 4.25Å; Y1005-L1009 PolarHBondContact O-N 3.27Å
1006H46Very low41.1Very low44 Ų4481.9 Ų81.920%0.20444%0.44CS..Hα-helixtrans-75.6-26.8173.2-74.6-64.3000114.3S1002 I1003 K1004 F1008 R1010 K1095S1002-H1006 PolarHBondContact O-CD2 3.09Å; S1002-H1006 PolarHBondContact O-N 3.36Å; S1002-H1006 VanDerWaalsContact O-N 3.16Å; I1003-H1006 PolarHBondContact O-N 3.36Å; K1004-H1006 VanDerWaalsContact C-N 3.3Å; K1004-H1006 PolarHBondContact O-N 3.27Å; H1006-F1008 VanDerWaalsContact C-N 3.34Å; H1006-R1010 WeakPolarHBondContact O-CB 3.18Å; H1006-R1010 PolarHBondContact O-N 2.87Å; H1006-R1010 VanDerWaalsContact O-N 3.13Å; H1006-K1095 PolarHBondContact CD2-NZ 3.04Å; H1006-K1095 WeakPolarHBondContact CE1-CE 3.43Å; H1006-K1095 PolarHBondContact CE1-NZ 3.31Å; H1006-K1095 WeakPolarHBondContact NE2-CE 3.42Å; H1006-K1095 PolarHBondContact NE2-NZ 3.16Å
1007S46.4Very low41.3Very low70 Ų7081.1 Ų81.149%0.4943%0.428SS..Hα-helixtrans-65.3-40.3166.983.90000111.1I1003 K1004 R1010 K1011I1003-S1007 PolarHBondContact O-N 3.16Å; K1004-S1007 WeakPolarHBondContact O-CA 3.32Å; K1004-S1007 WeakPolarHBondContact O-CB 3.34Å; K1004-S1007 PolarHBondContact O-N 2.84Å; K1004-S1007 VanDerWaalsContact O-N 3.08Å; K1004-S1007 PolarHBondContact O-OG 3Å; S1007-R1010 PolarHBondContact O-N 2.91Å; S1007-K1011 WeakPolarHBondContact O-CB 3.31Å; S1007-K1011 PolarHBondContact O-N 3.44Å
1008F43.6Very low41.5Very low31 Ų3181.7 Ų81.714%0.13643%0.425CS..Hα-helixtrans-61.5-54.3175.5178-81.4000111V991 F994 K1004 Y1005 H1006 R1010 K1011 Y1012V991-F1008 HydrophobicContact CG2-CE1 4.19Å; V991-F1008 HydrophobicContact CG2-CZ 4.34Å; F994-F1008 HydrophobicContact CB-CE2 4.48Å; F994-F1008 HydrophobicContact CD1-CD2 4.11Å; F994-F1008 AromaticContact CD1-CE2 3.8Å; F994-F1008 HydrophobicContact CD1-CE2 3.8Å; F994-F1008 AromaticContact CD2-CE2 3.77Å; F994-F1008 HydrophobicContact CD2-CE2 3.77Å; F994-F1008 HydrophobicContact CD2-CZ 4.39Å; F994-F1008 HydrophobicContact CE1-CD2 4.04Å; F994-F1008 AromaticContact CE1-CE2 3.88Å; F994-F1008 HydrophobicContact CE1-CE2 3.88Å; F994-F1008 AromaticContact CE2-CE2 3.84Å; F994-F1008 HydrophobicContact CE2-CE2 3.84Å; F994-F1008 HydrophobicContact CG-CD2 4.48Å; F994-F1008 AromaticContact CG-CE2 3.74Å; F994-F1008 HydrophobicContact CG-CE2 3.74Å; F994-F1008 HydrophobicContact CG-CZ 4.46Å; F994-F1008 HydrophobicContact CZ-CD2 4.35Å; F994-F1008 AromaticContact CZ-CE2 3.89Å; F994-F1008 HydrophobicContact CZ-CE2 3.89Å; K1004-F1008 PolarHBondContact O-N 3.12Å; Y1005-F1008 WeakPolarHBondContact O-CB 3.34Å; Y1005-F1008 PolarHBondContact O-N 3.31Å; H1006-F1008 VanDerWaalsContact C-N 3.34Å; F1008-R1010 VanDerWaalsContact C-N 3.27Å; F1008-R1010 PolarHBondContact O-N 2.81Å; F1008-K1011 PolarHBondContact O-N 3.43Å; F1008-Y1012 AromaticContact CD1-CD2 3.95Å; F1008-Y1012 HydrophobicContact CD1-CD2 3.95Å; F1008-Y1012 AromaticContact CD2-CD2 3.59Å; F1008-Y1012 HydrophobicContact CD2-CD2 3.59Å; F1008-Y1012 AromaticContact CD2-CE2 3.39Å; F1008-Y1012 HydrophobicContact CD2-CE2 3.39Å; F1008-Y1012 AromaticContact CE1-CD2 3.88Å; F1008-Y1012 HydrophobicContact CE1-CD2 3.88Å; F1008-Y1012 HydrophobicContact CE1-CE2 4.42Å; F1008-Y1012 HydrophobicContact CE1-CG 4.46Å; F1008-Y1012 AromaticContact CE2-CD2 3.54Å; F1008-Y1012 HydrophobicContact CE2-CD2 3.54Å; F1008-Y1012 AromaticContact CE2-CE2 3.22Å; F1008-Y1012 HydrophobicContact CE2-CE2 3.22Å; F1008-Y1012 AromaticContact CG-CD2 3.79Å; F1008-Y1012 HydrophobicContact CG-CD2 3.79Å; F1008-Y1012 HydrophobicContact CG-CE2 4.07Å; F1008-Y1012 AromaticContact CZ-CD2 3.68Å; F1008-Y1012 HydrophobicContact CZ-CD2 3.68Å; F1008-Y1012 AromaticContact CZ-CE2 3.79Å; F1008-Y1012 HydrophobicContact CZ-CE2 3.79Å; F1008-Y1012 HydrophobicContact CZ-CG 4.34Å; F1008-Y1012 WeakPolarHBondContact O-CD2 3.13Å; F1008-Y1012 PolarHBondContact O-N 3.17Å
1009L42.5Very low41.5Very low70 Ų7082.2 Ų82.237%0.36641%0.413SS..Hα-helixtrans-56.6-40.2177.8-73.8174.4000112.5Y1005 S1013Y1005-L1009 HydrophobicContact CD1-CD1 3.98Å; Y1005-L1009 HydrophobicContact CD1-CG 4.4Å; Y1005-L1009 HydrophobicContact CE1-CD1 3.8Å; Y1005-L1009 HydrophobicContact CE1-CG 4.25Å; Y1005-L1009 PolarHBondContact O-N 3.27Å; L1009-S1013 VanDerWaalsContact O-CB 3.28Å; L1009-S1013 WeakPolarHBondContact O-CB 3.35Å; L1009-S1013 PolarHBondContact O-N 2.72Å; L1009-S1013 PolarHBondContact O-OG 3.46Å; L1009-S1013 VanDerWaalsContact O-OG 3.08Å
1010R47.8Very low41.5Very low190 Ų19077.5 Ų77.572%0.71739%0.394SS*.Hα-helixtrans-70.1-36176.6-170.9-174.1-69.4-175.62.9112.8H1006 S1007 F1008 S1013 S1014H1006-R1010 WeakPolarHBondContact O-CB 3.18Å; H1006-R1010 PolarHBondContact O-N 2.87Å; H1006-R1010 VanDerWaalsContact O-N 3.13Å; S1007-R1010 PolarHBondContact O-N 2.91Å; F1008-R1010 VanDerWaalsContact C-N 3.27Å; F1008-R1010 PolarHBondContact O-N 2.81Å; R1010-S1013 PolarHBondContact O-OG 2.88Å; R1010-S1013 VanDerWaalsContact O-OG 3.1Å; R1010-S1014 PolarHBondContact O-N 3.13Å; R1010-S1014 PolarHBondContact O-OG 2.8Å; R1010-S1014 VanDerWaalsContact O-OG 3.08Å
1011K41.1Very low41.5Very low140 Ų14082 Ų8261%0.60941%0.405SS*.Hα-helixtrans-75.4-39.7-178-171.1175.1-176.2179.70112.1S1007 F1008 S1014 L1015S1007-K1011 WeakPolarHBondContact O-CB 3.31Å; S1007-K1011 PolarHBondContact O-N 3.44Å; F1008-K1011 PolarHBondContact O-N 3.43Å; K1011-S1014 PolarHBondContact O-OG 3.4Å; K1011-L1015 WeakPolarHBondContact O-CG 3.46Å; K1011-L1015 PolarHBondContact O-N 3.05Å
1012Y42.3Very low41.1Very low61 Ų6182.4 Ų82.424%0.23940%0.402CS..Hα-helixtrans-80.5-28177.2-75.8-81.1000113.1F1008 L1015 L1016F1008-Y1012 AromaticContact CD1-CD2 3.95Å; F1008-Y1012 HydrophobicContact CD1-CD2 3.95Å; F1008-Y1012 AromaticContact CD2-CD2 3.59Å; F1008-Y1012 HydrophobicContact CD2-CD2 3.59Å; F1008-Y1012 AromaticContact CD2-CE2 3.39Å; F1008-Y1012 HydrophobicContact CD2-CE2 3.39Å; F1008-Y1012 AromaticContact CE1-CD2 3.88Å; F1008-Y1012 HydrophobicContact CE1-CD2 3.88Å; F1008-Y1012 HydrophobicContact CE1-CE2 4.42Å; F1008-Y1012 HydrophobicContact CE1-CG 4.46Å; F1008-Y1012 AromaticContact CE2-CD2 3.54Å; F1008-Y1012 HydrophobicContact CE2-CD2 3.54Å; F1008-Y1012 AromaticContact CE2-CE2 3.22Å; F1008-Y1012 HydrophobicContact CE2-CE2 3.22Å; F1008-Y1012 AromaticContact CG-CD2 3.79Å; F1008-Y1012 HydrophobicContact CG-CD2 3.79Å; F1008-Y1012 HydrophobicContact CG-CE2 4.07Å; F1008-Y1012 AromaticContact CZ-CD2 3.68Å; F1008-Y1012 HydrophobicContact CZ-CD2 3.68Å; F1008-Y1012 AromaticContact CZ-CE2 3.79Å; F1008-Y1012 HydrophobicContact CZ-CE2 3.79Å; F1008-Y1012 HydrophobicContact CZ-CG 4.34Å; F1008-Y1012 WeakPolarHBondContact O-CD2 3.13Å; F1008-Y1012 PolarHBondContact O-N 3.17Å; Y1012-L1015 HydrophobicContact CD1-CD1 4.06Å; Y1012-L1015 HydrophobicContact CE1-CD1 4.18Å; Y1012-L1015 PolarHBondContact O-N 3.45Å; Y1012-L1016 WeakPolarHBondContact O-CG 3.45Å; Y1012-L1016 PolarHBondContact O-N 3.27Å
1013S43.9Very low40.6Very low24 Ų2486.7 Ų86.717%0.16841%0.414CS..Hα-helixtrans-65.8-37.5168.767.50000112.4L1009 R1010 L1015 L1017 Y1099L1009-S1013 VanDerWaalsContact O-CB 3.28Å; L1009-S1013 WeakPolarHBondContact O-CB 3.35Å; L1009-S1013 PolarHBondContact O-N 2.72Å; L1009-S1013 PolarHBondContact O-OG 3.46Å; L1009-S1013 VanDerWaalsContact O-OG 3.08Å; R1010-S1013 PolarHBondContact O-OG 2.88Å; R1010-S1013 VanDerWaalsContact O-OG 3.1Å; S1013-L1015 VanDerWaalsContact C-N 3.29Å; S1013-L1015 PolarHBondContact O-N 3.03Å; S1013-L1017 VanDerWaalsContact O-CB 3.28Å; S1013-L1017 WeakPolarHBondContact O-CB 3.48Å; S1013-L1017 WeakPolarHBondContact O-CG 3.14Å; S1013-L1017 PolarHBondContact O-N 3.08Å; S1013-Y1099 WeakPolarHBondContact CB-OH 3.36Å
1014S40.9Very low40.1Very low70 Ų7082.9 Ų82.949%0.4940%0.395SS..Hα-helixtrans-71.7-18.7175.353.70000114.8R1010 K1011 K1018R1010-S1014 PolarHBondContact O-N 3.13Å; R1010-S1014 PolarHBondContact O-OG 2.8Å; R1010-S1014 VanDerWaalsContact O-OG 3.08Å; K1011-S1014 PolarHBondContact O-OG 3.4Å; S1014-K1018 WeakPolarHBondContact O-CB 3.32Å
1015L36.4Very low39.7Very low77 Ų7783 Ų8340%0.40340%0.397SS..Hα-helixtrans-80.5-55.2170.2-72.8163.4000109.5K1011 Y1012 S1013 L1017 K1018 D1019K1011-L1015 WeakPolarHBondContact O-CG 3.46Å; K1011-L1015 PolarHBondContact O-N 3.05Å; Y1012-L1015 HydrophobicContact CD1-CD1 4.06Å; Y1012-L1015 HydrophobicContact CE1-CD1 4.18Å; Y1012-L1015 PolarHBondContact O-N 3.45Å; S1013-L1015 VanDerWaalsContact C-N 3.29Å; S1013-L1015 PolarHBondContact O-N 3.03Å; L1015-L1017 VanDerWaalsContact C-N 3.3Å; L1015-L1017 PolarHBondContact O-N 3.37Å; L1015-K1018 CarbonylContact O-C 3.59Å; L1015-K1018 WeakPolarHBondContact O-CA 3.24Å; L1015-K1018 WeakPolarHBondContact O-CB 3.19Å; L1015-K1018 PolarHBondContact O-N 3.03Å; L1015-D1019 PolarHBondContact O-N 3.33Å
1016L37Very low39.3Very low43 Ų4387.3 Ų87.323%0.22542%0.423CS..Hα-helixtrans-57.4-37.1179.3-71.5166000113.7V987 Y1012 K1018 L1020V987-L1016 HydrophobicContact CG1-CD1 4.39Å; V987-L1016 HydrophobicContact CG2-CD1 4.13Å; V987-L1016 HydrophobicContact CG2-CD2 3.84Å; Y1012-L1016 WeakPolarHBondContact O-CG 3.45Å; Y1012-L1016 PolarHBondContact O-N 3.27Å; L1016-K1018 PolarHBondContact O-N 3.47Å; L1016-L1020 VanDerWaalsContact O-CB 3.25Å; L1016-L1020 WeakPolarHBondContact O-CB 3.41Å; L1016-L1020 WeakPolarHBondContact O-CD1 3.4Å; L1016-L1020 VanDerWaalsContact O-CG 3.23Å; L1016-L1020 WeakPolarHBondContact O-CG 3.22Å; L1016-L1020 PolarHBondContact O-N 2.88Å
1017L40.7Very low38.9Very low79 Ų7990 Ų9041%0.41445%0.446SS..Hα-helixtrans-78.51.9175.4-74.9165.3000114.8S1013 L1015 L1103S1013-L1017 VanDerWaalsContact O-CB 3.28Å; S1013-L1017 WeakPolarHBondContact O-CB 3.48Å; S1013-L1017 WeakPolarHBondContact O-CG 3.14Å; S1013-L1017 PolarHBondContact O-N 3.08Å; L1015-L1017 VanDerWaalsContact C-N 3.3Å; L1015-L1017 PolarHBondContact O-N 3.37Å; L1017-L1103 HydrophobicContact CD1-CD2 4.45Å
1018K39.6Very low38.5Very low125 Ų12594.1 Ų94.154%0.54346%0.455SS..Hα-helixtrans-113.7-49.3175.3-164.9170.4-176-177.30110.5S1014 L1015 L1016 L1020 R1021 D1022S1014-K1018 WeakPolarHBondContact O-CB 3.32Å; L1015-K1018 CarbonylContact O-C 3.59Å; L1015-K1018 WeakPolarHBondContact O-CA 3.24Å; L1015-K1018 WeakPolarHBondContact O-CB 3.19Å; L1015-K1018 PolarHBondContact O-N 3.03Å; L1016-K1018 PolarHBondContact O-N 3.47Å; K1018-L1020 VanDerWaalsContact C-N 3.26Å; K1018-L1020 PolarHBondContact O-N 3.27Å; K1018-R1021 WeakPolarHBondContact O-CA 3.23Å; K1018-R1021 WeakPolarHBondContact O-CB 3.24Å; K1018-R1021 PolarHBondContact O-N 3.33Å; K1018-D1022 VanDerWaalsContact O-CG 3.23Å; K1018-D1022 PolarHBondContact O-N 2.57Å
1019D33.1Very low38.2Very low74 Ų7498.5 Ų98.540%0.39648%0.48SS..Hα-helixtrans-51.2-45.5171-51.3-20.8000110.9L1015 R1021 F1023L1015-D1019 PolarHBondContact O-N 3.33Å; D1019-R1021 VanDerWaalsContact C-N 3.31Å; D1019-R1021 PolarHBondContact O-N 3.49Å; D1019-F1023 WeakPolarHBondContact O-CD2 3.12Å; D1019-F1023 PolarHBondContact O-N 3.11Å
1020L34.8Very low37.9Very low79 Ų79104 Ų10441%0.41450%0.503SS..Hα-helixtrans-74.1-12.5176.3-68.7173.7000115.1L1016 K1018 I1052L1016-L1020 VanDerWaalsContact O-CB 3.25Å; L1016-L1020 WeakPolarHBondContact O-CB 3.41Å; L1016-L1020 WeakPolarHBondContact O-CD1 3.4Å; L1016-L1020 VanDerWaalsContact O-CG 3.23Å; L1016-L1020 WeakPolarHBondContact O-CG 3.22Å; L1016-L1020 PolarHBondContact O-N 2.88Å; K1018-L1020 VanDerWaalsContact C-N 3.26Å; K1018-L1020 PolarHBondContact O-N 3.27Å; L1020-I1052 HydrophobicContact CD1-CD1 4.2Å; L1020-I1052 HydrophobicContact CD1-CG1 4.17Å
1021R34.3Very low37.3Very low146 Ų146100.5 Ų100.555%0.55151%0.508SS*.Hα-helixtrans-86.2-50.4175.9-175.4-173.4-53.9-125.2-8109.8K1018 D1019 F1023 N1024 E1025K1018-R1021 WeakPolarHBondContact O-CA 3.23Å; K1018-R1021 WeakPolarHBondContact O-CB 3.24Å; K1018-R1021 PolarHBondContact O-N 3.33Å; D1019-R1021 VanDerWaalsContact C-N 3.31Å; D1019-R1021 PolarHBondContact O-N 3.49Å; R1021-F1023 PolarHBondContact O-N 3.4Å; R1021-N1024 PolarHBondContact O-N 3.12Å; R1021-E1025 PolarHBondContact O-N 2.78Å
1022D36.6Very low36.9Very low73 Ų73101 Ų10139%0.3952%0.523SS..Hα-helixtrans-60.3-34.6-179.6-54.4-4.9000110.1K1018 N1026K1018-D1022 VanDerWaalsContact O-CG 3.23Å; K1018-D1022 PolarHBondContact O-N 2.57Å; D1022-N1026 WeakPolarHBondContact O-CB 3.44Å; D1022-N1026 VanDerWaalsContact O-CG 3.28Å; D1022-N1026 PolarHBondContact O-N 2.89Å; D1022-N1026 PolarHBondContact O-ND2 3.23Å
1023F33.4Very low36.5Very low144 Ų144101.4 Ų101.463%0.63255%0.545SS*.Hα-helixtrans-66-34.1170.1-101.4-86.3000115.1D1019 R1021 S1027D1019-F1023 WeakPolarHBondContact O-CD2 3.12Å; D1019-F1023 PolarHBondContact O-N 3.11Å; R1021-F1023 PolarHBondContact O-N 3.4Å; F1023-S1027 PolarHBondContact O-N 3.22Å
1024N33.7Very low36.2Very low49 Ų49106.6 Ų106.626%0.26257%0.571SS.*Hα-helixtrans-86.2-27.4-174.6-159.3-29.5000112.1R1021 K1028 S1050R1021-N1024 PolarHBondContact O-N 3.12Å; N1024-K1028 WeakPolarHBondContact OD1-CE 3.4Å; N1024-S1050 PolarHBondContact ND2-OG 3.28Å
1025E36.3Very low36.2Very low119 Ų119110.7 Ų110.756%0.55658%0.58SS**Hα-helixtrans-72.1-41.5170.2-70.1174.8-160.700110.8R1021 S1027 K1028R1021-E1025 PolarHBondContact O-N 2.78Å; E1025-S1027 VanDerWaalsContact C-N 3.26Å; E1025-S1027 PolarHBondContact O-N 2.95Å; E1025-K1028 PolarHBondContact O-N 3.49Å
1026N35.5Very low36.2Very low126 Ų126113.4 Ų113.467%0.67460%0.595SS**Hα-helixtrans-65.6-23.2174.9-73.2-28.9000114.3D1022D1022-N1026 WeakPolarHBondContact O-CB 3.44Å; D1022-N1026 VanDerWaalsContact O-CG 3.28Å; D1022-N1026 PolarHBondContact O-N 2.89Å; D1022-N1026 PolarHBondContact O-ND2 3.23Å
1027S37.1Very low36.1Very low99 Ų99118.5 Ų118.569%0.69262%0.623SS**THydrogen-bonded Turntrans-84.8-3.1-179.5-169.40000114.4F1023 E1025F1023-S1027 PolarHBondContact O-N 3.22Å; E1025-S1027 VanDerWaalsContact C-N 3.26Å; E1025-S1027 PolarHBondContact O-N 2.95Å
1028K38.6Very low36Very low157 Ų157124.6 Ų124.668%0.68365%0.646SS**SBendtrans-108.3-1.9-173.6-74.7-177177.3-175.50115.3N1024 E1025N1024-K1028 WeakPolarHBondContact OD1-CE 3.4Å; E1025-K1028 PolarHBondContact O-N 3.49Å
1029N36.4Very low35.7Very low123 Ų123123.9 Ų123.966%0.65866%0.663SS**SBendtrans-97.315.9-172.2-61.4-19.3000113.9
1030H36.1Very low35.5Very low185 Ų185123.5 Ų123.586%0.85668%0.676SS**  trans-136.276.4178.6-78.3-52.3000113.2
1031S35.2Very low35.2Very low117 Ų117128.1 Ų128.182%0.81870%0.702SS**  trans-165.5129.1142.7-1660000109.6
1032V32.9Very low35.1Very low151 Ų151127.7 Ų127.792%0.91572%0.715SS**  trans-130.4127.9172.4175.20000106.3
1033G34.3Very low34.8Very low69 Ų69130.4 Ų130.471%0.71173%0.734SS**  trans-172.743.5-163.900000117
1034D37.7Very low34.5Very low134 Ų134131.4 Ų131.472%0.71775%0.745SS**  trans66.7157.5146.2-157.726.6000121.1
1035K40.6Very low34.3Very low156 Ų156136.9 Ų136.968%0.67877%0.769SS**  trans83.7101.9162.8-48.9-153.1175.8-163.60122.2
1036D37.5Very low34.1Very low133 Ų133139.1 Ų139.171%0.71178%0.779SS**  68.5105.9118.1-47.3-21.6000121.5
1037D34.8Very low33.9Very low150 Ų150138.9 Ų138.980%0.80279%0.788SS**  trans41.1103.1131.3-70.3-0.1000121.4
1038K38.5Very low33.6Very low208 Ų208140.4 Ų140.490%0.90479%0.788SS**  -173.8155.396.3-100169.2-173.1178.70113.8
1039A32.9Very low33.4Very low109 Ų109137.6 Ų137.690%0.90179%0.788SS**  trans-88.8145.5-17700000113.7
1040G29.1Very low33.7Very low66 Ų66135.5 Ų135.568%0.6878%0.783SS**  trans172.9134.1170.600000113.8V1042G1040-V1042 PolarHBondContact O-N 3.04Å
1041D28.7Very low34.5Very low177 Ų177130.5 Ų130.595%0.94776%0.762SS**  trans-12.9112176.4-82.3-25000118.3
1042V31.7Very low36.1Very low137 Ų137128.1 Ų128.183%0.8374%0.74SS**  trans-128.9124.3159.3-177.50000110.7G1040G1040-V1042 PolarHBondContact O-N 3.04Å
1043V29.1Very low38.3Very low129 Ų129123.6 Ų123.678%0.78272%0.715SS**  trans-65.9131.2176.2175.50000110E1045V1043-E1045 VanDerWaalsContact C-N 3.31Å; V1043-E1045 PolarHBondContact O-N 3.3Å
1044L28.7Very low40.6Very low166 Ų166122.1 Ų122.187%0.86969%0.69SS**  trans-7579.6-174.4-151.3155.2000111.8
1045E29.7Very low42.9Very low163 Ų163118.2 Ų118.276%0.76267%0.667SS**  trans-58.3153.1171.4-93.8-78.2129.200112.1V1043 S1047V1043-E1045 VanDerWaalsContact C-N 3.31Å; V1043-E1045 PolarHBondContact O-N 3.3Å; E1045-S1047 PolarHBondContact O-N 2.95Å
1046Q31.7Very low44.7Very low166 Ų166113.1 Ų113.178%0.77665%0.65SS**  trans-81.9105.9-173.8-65.9-178-31.700111.1N1048Q1046-N1048 VanDerWaalsContact C-N 3.32Å; Q1046-N1048 PolarHBondContact O-N 2.64Å; Q1046-N1048 PolarHBondContact O-ND2 3.3Å
1047S30.5Very low47Very low121 Ų121107.2 Ų107.285%0.84662%0.618SS**  trans-67.783.3176.345.60000112.2E1045 S1049E1045-S1047 PolarHBondContact O-N 2.95Å; S1047-S1049 PolarHBondContact O-N 3.02Å; S1047-S1049 VanDerWaalsContact O-N 3.09Å
1048N32.2Very low49.5Very low131 Ų131103 Ų10370%0.70159%0.591SS**  trans-66.1104.9177.3-73.9-89.2000110.6Q1046 S1050Q1046-N1048 VanDerWaalsContact C-N 3.32Å; Q1046-N1048 PolarHBondContact O-N 2.64Å; Q1046-N1048 PolarHBondContact O-ND2 3.3Å; N1048-S1050 PolarHBondContact O-N 2.88Å
1049S33.3Very low51.6Low99 Ų9998.8 Ų98.869%0.69257%0.574SS**  trans-56.5131.6167.257.70000110.2S1047 L1051S1047-S1049 PolarHBondContact O-N 3.02Å; S1047-S1049 VanDerWaalsContact O-N 3.09Å; S1049-L1051 PolarHBondContact O-N 2.85Å
1050S42Very low53.9Low78 Ų7897.1 Ų97.155%0.54555%0.55SS..  trans-48.4102.4-165.956.50000114.7N1024 N1048N1024-S1050 PolarHBondContact ND2-OG 3.28Å; N1048-S1050 PolarHBondContact O-N 2.88Å
1051L53Low56.5Low80 Ų8094.4 Ų94.442%0.41952%0.52SS..PPolyproline II helixtrans-74.4146.4168.1-66.2172.8000110.3S1049 Y1104S1049-L1051 PolarHBondContact O-N 2.85Å; L1051-Y1104 HydrophobicContact CB-CE1 3.89Å; L1051-Y1104 HydrophobicContact CD1-CD1 3.83Å; L1051-Y1104 HydrophobicContact CD1-CE1 3.93Å; L1051-Y1104 HydrophobicContact CG-CE1 4.46Å
1052I69.1Low59.3Low68 Ų6888.1 Ų88.135%0.34949%0.489SS..PPolyproline II helixtrans-48.5142.2162.3-72.7175.9000109.1L1020 T1056 F1057 Y1104L1020-I1052 HydrophobicContact CD1-CD1 4.2Å; L1020-I1052 HydrophobicContact CD1-CG1 4.17Å; I1052-T1056 WeakPolarHBondContact CG2-OG1 3.38Å; I1052-F1057 HydrophobicContact CG2-CB 4.27Å; I1052-Y1104 VanDerWaalsContact O-CE1 3.24Å; I1052-Y1104 WeakPolarHBondContact O-CE1 3.2Å; I1052-Y1104 PolarHBondContact O-OH 3.42Å
1053S80Confident61.6Low55 Ų5584.1 Ų84.139%0.38547%0.471SS..PPolyproline II helixtrans-62.4151.5-176.970.60000111.9E1055 T1056 F1057S1053-E1055 PolarHBondContact O-N 2.75Å; S1053-T1056 PolarHBondContact N-OG1 2.88Å; S1053-T1056 PolarHBondContact O-N 3.14Å; S1053-T1056 PolarHBondContact O-OG1 3.07Å; S1053-T1056 WeakPolarHBondContact OG-CB 3.42Å; S1053-T1056 WeakPolarHBondContact OG-CG2 3.29Å; S1053-T1056 PolarHBondContact OG-N 2.85Å; S1053-T1056 VanDerWaalsContact OG-N 3.16Å; S1053-T1056 PolarHBondContact OG-OG1 2.93Å; S1053-F1057 WeakPolarHBondContact O-CB 3.27Å; S1053-F1057 PolarHBondContact O-N 2.78Å
1054I83.1Confident64.1Low38 Ų3879.1 Ų79.120%0.19544%0.443CS..Hα-helixtrans-64.3-29.5-178.4-66.1178000110.4Y1058 F1100 Y1104 I1115I1054-Y1058 VanDerWaalsContact O-CB 3.28Å; I1054-Y1058 WeakPolarHBondContact O-CB 3.26Å; I1054-Y1058 PolarHBondContact O-N 3.01Å; I1054-F1100 HydrophobicContact CG2-CE2 4.15Å; I1054-F1100 HydrophobicContact CG2-CZ 4.44Å; I1054-Y1104 HydrophobicContact CD1-CD1 4.24Å; I1054-Y1104 HydrophobicContact CG1-CD1 3.73Å; I1054-Y1104 HydrophobicContact CG1-CE1 3.86Å; I1054-Y1104 HydrophobicContact CG1-CG 4.36Å; I1054-I1115 HydrophobicContact CB-CD1 4.19Å; I1054-I1115 HydrophobicContact CG2-CB 4.21Å; I1054-I1115 HydrophobicContact CG2-CD1 3.84Å; I1054-I1115 HydrophobicContact CG2-CG2 4.06Å
1055E85.3Confident66.9Low52 Ų5271.7 Ų71.724%0.24340%0.404CS..Hα-helixtrans-64.8-57.5172.8-63.382.7170.400112.1S1053 F1057 Y1058 E1059 R1111 I1115S1053-E1055 PolarHBondContact O-N 2.75Å; E1055-F1057 VanDerWaalsContact C-N 3.31Å; E1055-F1057 PolarHBondContact O-N 2.94Å; E1055-Y1058 WeakPolarHBondContact O-CB 3.4Å; E1055-Y1058 PolarHBondContact O-N 2.84Å; E1055-E1059 PolarHBondContact O-N 3.35Å; E1055-R1111 IonicContact OE1-CZ 3.09Å; E1055-R1111 IonicContact OE1-NE 3.27Å; E1055-R1111 PolarHBondContact OE1-NE 2.71Å; E1055-R1111 IonicContact OE1-NH2 2.74Å; E1055-R1111 PolarHBondContact OE1-NH2 2.89Å; E1055-I1115 VanDerWaalsContact CD-CD1 3.44Å; E1055-I1115 HydrophobicContact CG-CD1 3.77Å; E1055-I1115 HydrophobicContact CG-CG1 4.25Å; E1055-I1115 VanDerWaalsContact OE1-CD1 3.24Å; E1055-I1115 WeakPolarHBondContact OE1-CD1 3.46Å
1056T78Confident69.5Low50 Ų5066.1 Ų66.131%0.30738%0.383SS..Hα-helixtrans-67.2-31.1179.950.70000112.6I1052 S1053 L1060I1052-T1056 WeakPolarHBondContact CG2-OG1 3.38Å; S1053-T1056 PolarHBondContact N-OG1 2.88Å; S1053-T1056 PolarHBondContact O-N 3.14Å; S1053-T1056 PolarHBondContact O-OG1 3.07Å; S1053-T1056 WeakPolarHBondContact OG-CB 3.42Å; S1053-T1056 WeakPolarHBondContact OG-CG2 3.29Å; S1053-T1056 PolarHBondContact OG-N 2.85Å; S1053-T1056 VanDerWaalsContact OG-N 3.16Å; S1053-T1056 PolarHBondContact OG-OG1 2.93Å; T1056-L1060 WeakPolarHBondContact O-CB 3.36Å; T1056-L1060 PolarHBondContact O-N 2.92Å
1057F85.4Confident71.7Confident8 Ų859.7 Ų59.74%0.03535%0.352CS..Hα-helixtrans-66.2-39.3169.8-176.4-86.8000112.3I1052 S1053 E1055 L1060 L1061 Y1099 F1100 L1103 Y1104I1052-F1057 HydrophobicContact CG2-CB 4.27Å; S1053-F1057 WeakPolarHBondContact O-CB 3.27Å; S1053-F1057 PolarHBondContact O-N 2.78Å; E1055-F1057 VanDerWaalsContact C-N 3.31Å; E1055-F1057 PolarHBondContact O-N 2.94Å; F1057-L1060 PolarHBondContact O-N 3.1Å; F1057-L1061 HydrophobicContact CE1-CB 4.39Å; F1057-L1061 HydrophobicContact CE1-CD1 4.4Å; F1057-L1061 HydrophobicContact CE1-CD2 3.95Å; F1057-L1061 HydrophobicContact CE1-CG 4.5Å; F1057-L1061 HydrophobicContact CZ-CD1 4.47Å; F1057-L1061 VanDerWaalsContact O-CB 3.29Å; F1057-L1061 WeakPolarHBondContact O-CB 3.29Å; F1057-L1061 PolarHBondContact O-N 3.35Å; F1057-Y1099 AromaticContact CE2-CD1 3.99Å; F1057-Y1099 HydrophobicContact CE2-CD1 3.99Å; F1057-Y1099 AromaticContact CE2-CE1 3.71Å; F1057-Y1099 HydrophobicContact CE2-CE1 3.71Å; F1057-Y1099 AromaticContact CZ-CD1 3.7Å; F1057-Y1099 HydrophobicContact CZ-CD1 3.7Å; F1057-Y1099 AromaticContact CZ-CE1 3.93Å; F1057-Y1099 HydrophobicContact CZ-CE1 3.93Å; F1057-F1100 AromaticContact CD1-CD2 3.74Å; F1057-F1100 HydrophobicContact CD1-CD2 3.74Å; F1057-F1100 HydrophobicContact CD1-CE2 4.37Å; F1057-F1100 HydrophobicContact CE1-CB 3.93Å; F1057-F1100 AromaticContact CE1-CD2 3.6Å; F1057-F1100 HydrophobicContact CE1-CD2 3.6Å; F1057-F1100 HydrophobicContact CE1-CG 4.26Å; F1057-F1100 HydrophobicContact CZ-CB 4.4Å; F1057-L1103 HydrophobicContact CD2-CD1 4.24Å; F1057-L1103 HydrophobicContact CE2-CD1 3.51Å; F1057-L1103 HydrophobicContact CZ-CD1 4.12Å; F1057-Y1104 HydrophobicContact CB-CE2 4.05Å; F1057-Y1104 WeakPolarHBondContact CB-OH 3.47Å; F1057-Y1104 AromaticContact CD1-CE2 4Å; F1057-Y1104 HydrophobicContact CD1-CE2 4Å; F1057-Y1104 AromaticContact CD2-CE2 3.74Å; F1057-Y1104 HydrophobicContact CD2-CE2 3.74Å; F1057-Y1104 HydrophobicContact CE1-CE2 4.41Å; F1057-Y1104 HydrophobicContact CE2-CE2 4.17Å; F1057-Y1104 AromaticContact CG-CE2 3.63Å; F1057-Y1104 HydrophobicContact CG-CE2 3.63Å; F1057-Y1104 HydrophobicContact CZ-CE2 4.49Å
1058Y87.8Confident74.1Confident63 Ų6354.4 Ų54.425%0.24731%0.314CS..Hα-helixtrans-63.2-41.6176162.6-90.4000111.7I1054 E1055 L1061 C1062 I1115 M1116 P1118 I1119I1054-Y1058 VanDerWaalsContact O-CB 3.28Å; I1054-Y1058 WeakPolarHBondContact O-CB 3.26Å; I1054-Y1058 PolarHBondContact O-N 3.01Å; E1055-Y1058 WeakPolarHBondContact O-CB 3.4Å; E1055-Y1058 PolarHBondContact O-N 2.84Å; Y1058-L1061 PolarHBondContact O-N 2.92Å; Y1058-C1062 VanDerWaalsContact CZ-SG 3.6Å; Y1058-C1062 WeakPolarHBondContact O-CB 3.43Å; Y1058-C1062 PolarHBondContact O-N 3.24Å; Y1058-C1062 PolarHBondContact O-SG 3.45Å; Y1058-I1115 HydrophobicContact CD1-CG2 4.38Å; Y1058-I1115 HydrophobicContact CD2-CG2 4.31Å; Y1058-I1115 WeakPolarHBondContact CD2-O 3.31Å; Y1058-I1115 WeakPolarHBondContact CE2-O 3.44Å; Y1058-I1115 HydrophobicContact CG-CG2 3.87Å; Y1058-M1116 HydrophobicContact CD2-SD 4.18Å; Y1058-P1118 HydrophobicContact CE2-CB 4.43Å; Y1058-P1118 HydrophobicContact CE2-CG 4.18Å; Y1058-I1119 HydrophobicContact CD2-CD1 3.8Å; Y1058-I1119 HydrophobicContact CD2-CG1 4.32Å; Y1058-I1119 HydrophobicContact CE2-CD1 3.97Å; Y1058-I1119 HydrophobicContact CE2-CG1 4.02Å
1059E83.3Confident76.8Confident118 Ų11848.7 Ų48.755%0.55128%0.283SS*.Hα-helixtrans-61.5-49.5174.3-70168.7-179.100111.6E1055 L1061 C1062 A1063E1055-E1059 PolarHBondContact O-N 3.35Å; E1059-L1061 VanDerWaalsContact C-N 3.25Å; E1059-L1061 PolarHBondContact O-N 3.35Å; E1059-C1062 PolarHBondContact O-N 3.37Å; E1059-A1063 WeakPolarHBondContact O-CB 3.39Å; E1059-A1063 PolarHBondContact O-N 2.99Å
1060L79.5Confident79.2Confident74 Ų7450.2 Ų50.239%0.38728%0.279SS..Hα-helixtrans-57.9-38.3175.6-176.166.5000111.9T1056 F1057 A1064T1056-L1060 WeakPolarHBondContact O-CB 3.36Å; T1056-L1060 PolarHBondContact O-N 2.92Å; F1057-L1060 PolarHBondContact O-N 3.1Å; L1060-A1064 VanDerWaalsContact O-CB 3.27Å; L1060-A1064 WeakPolarHBondContact O-CB 3.28Å; L1060-A1064 PolarHBondContact O-N 3.3Å
1061L85.6Confident80.8Confident10 Ų1051.6 Ų51.65%0.05227%0.273CS..Hα-helixtrans-71.9-37.6179.1-16164.6000112.4F1057 Y1058 E1059 L1065 M1116 I1119F1057-L1061 HydrophobicContact CE1-CB 4.39Å; F1057-L1061 HydrophobicContact CE1-CD1 4.4Å; F1057-L1061 HydrophobicContact CE1-CD2 3.95Å; F1057-L1061 HydrophobicContact CE1-CG 4.5Å; F1057-L1061 HydrophobicContact CZ-CD1 4.47Å; F1057-L1061 VanDerWaalsContact O-CB 3.29Å; F1057-L1061 WeakPolarHBondContact O-CB 3.29Å; F1057-L1061 PolarHBondContact O-N 3.35Å; Y1058-L1061 PolarHBondContact O-N 2.92Å; E1059-L1061 VanDerWaalsContact C-N 3.25Å; E1059-L1061 PolarHBondContact O-N 3.35Å; L1061-L1065 WeakPolarHBondContact O-CB 3.5Å; L1061-L1065 WeakPolarHBondContact O-CG 3.44Å; L1061-L1065 PolarHBondContact O-N 2.93Å; L1061-M1116 HydrophobicContact CD2-CE 4.06Å; L1061-I1119 HydrophobicContact CB-CD1 4.3Å; L1061-I1119 HydrophobicContact CD2-CD1 3.66Å; L1061-I1119 HydrophobicContact CG-CD1 4.13Å
1062C86.7Confident82.2Confident44 Ų4449.9 Ų49.930%0.29727%0.268SS..Hα-helixtrans-65.6-45.3173-73.40000111.5Y1058 E1059 L1065 S1066Y1058-C1062 VanDerWaalsContact CZ-SG 3.6Å; Y1058-C1062 WeakPolarHBondContact O-CB 3.43Å; Y1058-C1062 PolarHBondContact O-N 3.24Å; Y1058-C1062 PolarHBondContact O-SG 3.45Å; E1059-C1062 PolarHBondContact O-N 3.37Å; C1062-L1065 PolarHBondContact O-N 2.95Å; C1062-S1066 WeakPolarHBondContact O-CB 3.4Å; C1062-S1066 PolarHBondContact O-N 3.01Å
1063A80.8Confident83Confident54 Ų5453.4 Ų53.445%0.44629%0.287SS..Hα-helixtrans-61-44.317500000111.9E1059 S1066 K1067E1059-A1063 WeakPolarHBondContact O-CB 3.39Å; E1059-A1063 PolarHBondContact O-N 2.99Å; A1063-S1066 PolarHBondContact O-N 2.99Å; A1063-K1067 WeakPolarHBondContact O-CB 3.13Å; A1063-K1067 PolarHBondContact O-N 2.86Å
1064A80Confident83.4Confident24 Ų2451.5 Ų51.520%0.19827%0.271CS..Hα-helixtrans-63.5-41.3177.300000112.8L1060 Q1068L1060-A1064 VanDerWaalsContact O-CB 3.27Å; L1060-A1064 WeakPolarHBondContact O-CB 3.28Å; L1060-A1064 PolarHBondContact O-N 3.3Å; A1064-Q1068 WeakPolarHBondContact O-CB 3.23Å; A1064-Q1068 PolarHBondContact O-N 3.48Å
1065L87.4Confident83.7Confident10 Ų1051.5 Ų51.55%0.05227%0.274CS..Hα-helixtrans-69-41.3176.5-75.8171.5000112.2L1061 C1062 Q1068 R1069 D1092 I1093L1061-L1065 WeakPolarHBondContact O-CB 3.5Å; L1061-L1065 WeakPolarHBondContact O-CG 3.44Å; L1061-L1065 PolarHBondContact O-N 2.93Å; C1062-L1065 PolarHBondContact O-N 2.95Å; L1065-Q1068 PolarHBondContact O-N 3.43Å; L1065-R1069 PolarHBondContact O-N 3.46Å; L1065-R1069 VanDerWaalsContact O-N 3.07Å; L1065-D1092 HydrophobicContact CD2-CB 4.11Å; L1065-I1093 HydrophobicContact CD1-CG1 4.4Å; L1065-I1093 HydrophobicContact CD2-CG1 4.33Å
1066S84.7Confident83.7Confident46 Ų4653.4 Ų53.432%0.32228%0.283SS..Hα-helixtrans-61.7-47175.3-178.90000111.3C1062 A1063 Q1068 R1069 Q1070C1062-S1066 WeakPolarHBondContact O-CB 3.4Å; C1062-S1066 PolarHBondContact O-N 3.01Å; A1063-S1066 PolarHBondContact O-N 2.99Å; S1066-Q1068 VanDerWaalsContact C-N 3.3Å; S1066-Q1068 PolarHBondContact O-N 3.05Å; S1066-R1069 WeakPolarHBondContact O-CB 3.5Å; S1066-R1069 PolarHBondContact O-N 3.03Å; S1066-Q1070 PolarHBondContact O-N 2.74Å
1067K78.1Confident84.1Confident30 Ų3059 Ų5913%0.1330%0.298CS..Hα-helixtrans-63.9-34.2176.6-168.7157.7-162.3161.90113.1V991 N992 A1063 R1069 Q1070 Y1071V991-K1067 HydrophobicContact CG1-CD 3.77Å; V991-K1067 PolarHBondContact O-NZ 3.3Å; N992-K1067 PolarHBondContact OD1-NZ 3.31Å; A1063-K1067 WeakPolarHBondContact O-CB 3.13Å; A1063-K1067 PolarHBondContact O-N 2.86Å; K1067-R1069 VanDerWaalsContact C-N 3.27Å; K1067-R1069 PolarHBondContact O-N 2.9Å; K1067-Q1070 PolarHBondContact O-N 3.19Å; K1067-Y1071 WeakPolarHBondContact O-CB 3.45Å; K1067-Y1071 PolarHBondContact O-N 3.25Å
1068Q80.9Confident84.3Confident10 Ų1059.7 Ų59.75%0.04730%0.303CS..Hα-helixtrans-70.6-19.2173.7-177.668-4.900112.7A1064 L1065 S1066 C1072 R1074 D1092A1064-Q1068 WeakPolarHBondContact O-CB 3.23Å; A1064-Q1068 PolarHBondContact O-N 3.48Å; L1065-Q1068 PolarHBondContact O-N 3.43Å; S1066-Q1068 VanDerWaalsContact C-N 3.3Å; S1066-Q1068 PolarHBondContact O-N 3.05Å; Q1068-C1072 WeakPolarHBondContact O-CB 3.41Å; Q1068-C1072 PolarHBondContact O-SG 2.75Å; Q1068-C1072 VanDerWaalsContact O-SG 3.34Å; Q1068-R1074 PolarHBondContact O-NH2 3.34Å; Q1068-D1092 HydrophobicContact CG-CB 4.5Å; Q1068-D1092 PolarHBondContact NE2-OD1 2.91Å; Q1068-D1092 VanDerWaalsContact NE2-OD1 3.1Å
1069R88.8Confident84.1Confident11 Ų1161.9 Ų61.94%0.04233%0.327CS..Hα-helixtrans-81.7-45.3168.2-70.2-179.6-153108.78.6112L1065 S1066 K1067 Y1071 C1072 N1073 R1074 E1076 E1089 R1122L1065-R1069 PolarHBondContact O-N 3.46Å; L1065-R1069 VanDerWaalsContact O-N 3.07Å; S1066-R1069 WeakPolarHBondContact O-CB 3.5Å; S1066-R1069 PolarHBondContact O-N 3.03Å; K1067-R1069 VanDerWaalsContact C-N 3.27Å; K1067-R1069 PolarHBondContact O-N 2.9Å; R1069-Y1071 PolarHBondContact O-N 2.9Å; R1069-C1072 CarbonylContact O-C 3.55Å; R1069-C1072 PolarHBondContact O-N 3.4Å; R1069-N1073 PolarHBondContact O-N 3.33Å; R1069-R1074 HydrophobicContact CB-CB 4.19Å; R1069-R1074 HydrophobicContact CG-CB 4.3Å; R1069-R1074 PolarHBondContact O-N 3.05Å; R1069-E1076 WeakPolarHBondContact CD-OE2 3.4Å; R1069-E1076 IonicContact CZ-OE1 3.71Å; R1069-E1076 IonicContact CZ-OE2 3.28Å; R1069-E1076 IonicContact NE-OE2 2.65Å; R1069-E1076 IonicContact NH1-OE1 3.03Å; R1069-E1076 PolarHBondContact NH1-OE1 3.38Å; R1069-E1076 IonicContact NH1-OE2 3.37Å; R1069-E1076 PolarHBondContact NH1-OE2 3.06Å; R1069-E1089 IonicContact CZ-OE1 3.9Å; R1069-E1089 VanDerWaalsContact CZ-OE1 3.29Å; R1069-E1089 IonicContact CZ-OE2 2.71Å; R1069-E1089 IonicContact NE-OE1 3.3Å; R1069-E1089 PolarHBondContact NE-OE1 2.92Å; R1069-E1089 IonicContact NE-OE2 3.87Å; R1069-E1089 PolarHBondContact NE-OE2 2.82Å; R1069-E1089 IonicContact NH2-OE1 3.75Å; R1069-E1089 PolarHBondContact NH2-OE1 3.36Å; R1069-E1089 IonicContact NH2-OE2 2.83Å; R1069-R1122 VanDerWaalsContact CZ-CZ 3.47Å; R1069-R1122 VanDerWaalsContact NE-NH2 3.16Å
1070Q83.7Confident84.2Confident132 Ų13260.9 Ų60.962%0.61732%0.322SS*.Hα-helixtrans-54.4-50.7172.7-69176.2-19.900111.4S1066 K1067 C1072 N1073S1066-Q1070 PolarHBondContact O-N 2.74Å; K1067-Q1070 PolarHBondContact O-N 3.19Å; Q1070-C1072 PolarHBondContact O-N 3.16Å; Q1070-N1073 PolarHBondContact O-N 3.36Å; Q1070-N1073 VanDerWaalsContact O-N 3.16Å; Q1070-N1073 PolarHBondContact O-OD1 3.3Å
1071Y75.9Confident84.6Confident107 Ų10757.9 Ų57.942%0.4231%0.306SS..Hα-helixtrans-62.6-29.2-179.6-174.4-99000113.8T1000 K1067 R1069T1000-Y1071 VanDerWaalsContact C-OH 3.22Å; T1000-Y1071 PolarHBondContact N-OH 3.14Å; T1000-Y1071 VanDerWaalsContact N-OH 3.11Å; T1000-Y1071 WeakPolarHBondContact O-CE1 3.49Å; T1000-Y1071 VanDerWaalsContact O-CZ 3.31Å; T1000-Y1071 PolarHBondContact O-OH 2.97Å; K1067-Y1071 WeakPolarHBondContact O-CB 3.45Å; K1067-Y1071 PolarHBondContact O-N 3.25Å; R1069-Y1071 PolarHBondContact O-N 2.9Å
1072C82.5Confident84.7Confident44 Ų4461.8 Ų61.830%0.29733%0.327SS..THydrogen-bonded Turntrans-98.810.6179.8-63.90000113.5Q1068 R1069 Q1070 R1074Q1068-C1072 WeakPolarHBondContact O-CB 3.41Å; Q1068-C1072 PolarHBondContact O-SG 2.75Å; Q1068-C1072 VanDerWaalsContact O-SG 3.34Å; R1069-C1072 CarbonylContact O-C 3.55Å; R1069-C1072 PolarHBondContact O-N 3.4Å; Q1070-C1072 PolarHBondContact O-N 3.16Å; C1072-R1074 VanDerWaalsContact C-N 3.26Å; C1072-R1074 HydrophobicContact CB-CG 4.17Å; C1072-R1074 PolarHBondContact O-N 3.03Å
1073N84.9Confident84.7Confident142 Ų14264.2 Ų64.276%0.75933%0.33SS*.THydrogen-bonded Turntrans48.144.1-175.1-63.8-24.7000113.6R1069 Q1070R1069-N1073 PolarHBondContact O-N 3.33Å; Q1070-N1073 PolarHBondContact O-N 3.36Å; Q1070-N1073 VanDerWaalsContact O-N 3.16Å; Q1070-N1073 PolarHBondContact O-OD1 3.3Å
1074R89.9Confident85Confident14 Ų1465.8 Ų65.85%0.05333%0.331CS..  trans-102.6135.8179.1-73.8-178.7-64.4-179.8-8.2111.5Q1068 R1069 C1072 M1081 Q1085 E1089 D1092Q1068-R1074 PolarHBondContact O-NH2 3.34Å; R1069-R1074 HydrophobicContact CB-CB 4.19Å; R1069-R1074 HydrophobicContact CG-CB 4.3Å; R1069-R1074 PolarHBondContact O-N 3.05Å; C1072-R1074 VanDerWaalsContact C-N 3.26Å; C1072-R1074 HydrophobicContact CB-CG 4.17Å; C1072-R1074 PolarHBondContact O-N 3.03Å; R1074-M1081 HydrophobicContact CB-CE 4.1Å; R1074-M1081 HydrophobicContact CG-CE 4.28Å; R1074-Q1085 HydrophobicContact CG-CB 3.98Å; R1074-Q1085 HydrophobicContact CG-CG 3.88Å; R1074-E1089 IonicContact NH1-OE2 3.75Å; R1074-D1092 IonicContact CZ-OD2 3.71Å; R1074-D1092 VanDerWaalsContact CZ-OD2 3.24Å; R1074-D1092 IonicContact NH1-OD2 2.73Å; R1074-D1092 PolarHBondContact NH1-OD2 3.46Å; R1074-D1092 IonicContact NH2-OD2 3.34Å; R1074-D1092 PolarHBondContact NH2-OD2 2.98Å
1075P88.6Confident85.5Confident39 Ų3966.9 Ų66.925%0.25333%0.332SS..  trans-59154.6171.4-28.238000113.8E1080 M1081P1075-E1080 HydrophobicContact CB-CB 3.58Å; P1075-E1080 HydrophobicContact CG-CB 3.84Å; P1075-M1081 HydrophobicContact CB-CG 4.29Å
1076E85.4Confident85.6Confident91 Ų9166.7 Ų66.743%0.42533%0.331SS..SBendtrans-80.3-26.4177.7-175.753.5-136.500112.3R1069 R1122R1069-E1076 WeakPolarHBondContact CD-OE2 3.4Å; R1069-E1076 IonicContact CZ-OE1 3.71Å; R1069-E1076 IonicContact CZ-OE2 3.28Å; R1069-E1076 IonicContact NE-OE2 2.65Å; R1069-E1076 IonicContact NH1-OE1 3.03Å; R1069-E1076 PolarHBondContact NH1-OE1 3.38Å; R1069-E1076 IonicContact NH1-OE2 3.37Å; R1069-E1076 PolarHBondContact NH1-OE2 3.06Å; E1076-R1122 PolarHBondContact O-NH1 3.24Å; E1076-R1122 PolarHBondContact O-NH2 3.16Å; E1076-R1122 IonicContact OE1-CZ 2.65Å; E1076-R1122 IonicContact OE1-NH1 3.94Å; E1076-R1122 PolarHBondContact OE1-NH1 3.22Å; E1076-R1122 IonicContact OE1-NH2 3.36Å; E1076-R1122 PolarHBondContact OE1-NH2 3.05Å
1077R86.9Confident85.8Confident167 Ų16767.5 Ų67.563%0.6333%0.33SS*.SBendtrans-92.7131.6176.9-69.8162.8163.5-177.8-1.6111.3S1079 E1080 M1081R1077-S1079 PolarHBondContact O-N 3.37Å; R1077-S1079 VanDerWaalsContact O-N 3.12Å; R1077-E1080 HydrophobicContact CB-CG 4.46Å; R1077-E1080 WeakPolarHBondContact CD-OE1 3.45Å; R1077-E1080 IonicContact CZ-OE1 3.82Å; R1077-E1080 IonicContact NE-OE1 3.49Å; R1077-E1080 IonicContact NH1-OE1 2.69Å; R1077-E1080 PolarHBondContact NH1-OE1 3.43Å; R1077-E1080 PolarHBondContact O-N 3.24Å; R1077-E1080 VanDerWaalsContact O-N 3.09Å; R1077-M1081 WeakPolarHBondContact O-CG 3.09Å
1078L88.8Confident86.2Confident24 Ų2470.5 Ų70.513%0.12634%0.344CS..THydrogen-bonded Turntrans-62.9-19.6-179.1-58.6-177.9000114.5E1080 M1081 E1089 R1122 Q1125 V1126 L1129L1078-E1080 VanDerWaalsContact C-N 3.34Å; L1078-M1081 HydrophobicContact CD2-SD 3.7Å; L1078-E1089 HydrophobicContact CD2-CG 4.23Å; L1078-R1122 HydrophobicContact CD1-CG 4.47Å; L1078-Q1125 HydrophobicContact CD1-CB 3.54Å; L1078-V1126 HydrophobicContact CD1-CG2 3.87Å; L1078-V1126 HydrophobicContact CD2-CG2 3.67Å; L1078-V1126 HydrophobicContact CG-CG2 4.44Å; L1078-L1129 HydrophobicContact CB-CD1 4.13Å; L1078-L1129 HydrophobicContact CD1-CD1 4.45Å
1079S84.4Confident86.8Confident108 Ų10870 Ų7076%0.75534%0.342SS*.THydrogen-bonded Turntrans-72.9-24.317647.70000113.6R1077R1077-S1079 PolarHBondContact O-N 3.37Å; R1077-S1079 VanDerWaalsContact O-N 3.12Å
1080E85.6Confident86.9Confident97 Ų9772.3 Ų72.345%0.45335%0.352SS..SBendtrans-95.8-4.1-176.9-68152.4-162.400111.4P1075 R1077 L1078P1075-E1080 HydrophobicContact CB-CB 3.58Å; P1075-E1080 HydrophobicContact CG-CB 3.84Å; R1077-E1080 HydrophobicContact CB-CG 4.46Å; R1077-E1080 WeakPolarHBondContact CD-OE1 3.45Å; R1077-E1080 IonicContact CZ-OE1 3.82Å; R1077-E1080 IonicContact NE-OE1 3.49Å; R1077-E1080 IonicContact NH1-OE1 2.69Å; R1077-E1080 PolarHBondContact NH1-OE1 3.43Å; R1077-E1080 PolarHBondContact O-N 3.24Å; R1077-E1080 VanDerWaalsContact O-N 3.09Å; L1078-E1080 VanDerWaalsContact C-N 3.34Å
1081M86.8Confident87.2Confident12 Ų1272.2 Ų72.26%0.05935%0.347CS..  trans-91.1128.5-175.2-61.3-177.775.600112.2R1074 P1075 R1077 L1078 Q1085 I1086 E1089R1074-M1081 HydrophobicContact CB-CE 4.1Å; R1074-M1081 HydrophobicContact CG-CE 4.28Å; P1075-M1081 HydrophobicContact CB-CG 4.29Å; R1077-M1081 WeakPolarHBondContact O-CG 3.09Å; L1078-M1081 HydrophobicContact CD2-SD 3.7Å; M1081-Q1085 HydrophobicContact CB-CB 4.2Å; M1081-Q1085 HydrophobicContact CE-CB 3.9Å; M1081-Q1085 WeakPolarHBondContact CE-O 3.48Å; M1081-I1086 HydrophobicContact CB-CD1 4.44Å; M1081-I1086 HydrophobicContact CB-CG1 3.76Å; M1081-I1086 WeakPolarHBondContact O-CD1 3.41Å; M1081-E1089 HydrophobicContact CE-CB 3.8Å; M1081-E1089 HydrophobicContact CE-CG 4.21Å
1082N88.4Confident87.7Confident91 Ų9167.7 Ų67.749%0.48733%0.33SS..  trans-65.2155.8170.5-173.111.4000110.9D1084 Q1085 I1086N1082-D1084 PolarHBondContact O-N 3.46Å; N1082-D1084 VanDerWaalsContact O-N 3.1Å; N1082-Q1085 HydrophobicContact CB-CG 4.35Å; N1082-Q1085 CarbonylContact O-C 3.57Å; N1082-Q1085 WeakPolarHBondContact O-CA 3.42Å; N1082-Q1085 VanDerWaalsContact O-CB 3.29Å; N1082-Q1085 WeakPolarHBondContact O-CB 3.49Å; N1082-Q1085 PolarHBondContact O-N 3.41Å; N1082-I1086 WeakPolarHBondContact O-CG1 3.47Å; N1082-I1086 PolarHBondContact O-N 2.97Å
1083W86.5Confident88.1Confident96 Ų9665.6 Ų65.636%0.36432%0.316SS..Hα-helixtrans-50.8-39.1-177-68109.7000114.6I1086 E1087 L1129 R1133W1083-I1086 HydrophobicContact CE3-CD1 4.1Å; W1083-I1086 HydrophobicContact CZ3-CD1 4.42Å; W1083-I1086 WeakPolarHBondContact O-CB 3.3Å; W1083-I1086 PolarHBondContact O-N 3.34Å; W1083-E1087 PolarHBondContact O-N 3.19Å; W1083-L1129 HydrophobicContact CZ3-CB 4.34Å; W1083-L1129 WeakPolarHBondContact CZ3-O 3.34Å; W1083-R1133 VanDerWaalsContact CB-CZ 3.45Å; W1083-R1133 HydrophobicContact CD2-CG 4.15Å; W1083-R1133 HydrophobicContact CE3-CB 4.09Å; W1083-R1133 HydrophobicContact CE3-CG 4.07Å; W1083-R1133 HydrophobicContact CH2-CB 4.03Å; W1083-R1133 HydrophobicContact CH2-CG 4.36Å; W1083-R1133 HydrophobicContact CZ2-CG 4.44Å; W1083-R1133 HydrophobicContact CZ3-CB 3.77Å; W1083-R1133 HydrophobicContact CZ3-CG 4.18Å
1084D85.8Confident88.4Confident87 Ų8762.6 Ų62.647%0.46530%0.297SS..Hα-helixtrans-74.7-30.4-179.9-51.8-31000111.3N1082 E1087 Q1088 R1133N1082-D1084 PolarHBondContact O-N 3.46Å; N1082-D1084 VanDerWaalsContact O-N 3.1Å; D1084-E1087 PolarHBondContact O-N 2.88Å; D1084-Q1088 VanDerWaalsContact O-CG 3.23Å; D1084-Q1088 WeakPolarHBondContact O-CG 3.45Å; D1084-Q1088 PolarHBondContact O-N 3.01Å; D1084-R1133 IonicContact OD1-NH1 2.73Å
1085Q90.6Very high88.1Confident46 Ų4665 Ų6522%0.21531%0.308CS..Hα-helixtrans-69.5-35.5169.9-60175.9-3200111.2R1074 M1081 N1082 Q1088 E1089R1074-Q1085 HydrophobicContact CG-CB 3.98Å; R1074-Q1085 HydrophobicContact CG-CG 3.88Å; M1081-Q1085 HydrophobicContact CB-CB 4.2Å; M1081-Q1085 HydrophobicContact CE-CB 3.9Å; M1081-Q1085 WeakPolarHBondContact CE-O 3.48Å; N1082-Q1085 HydrophobicContact CB-CG 4.35Å; N1082-Q1085 CarbonylContact O-C 3.57Å; N1082-Q1085 WeakPolarHBondContact O-CA 3.42Å; N1082-Q1085 VanDerWaalsContact O-CB 3.29Å; N1082-Q1085 WeakPolarHBondContact O-CB 3.49Å; N1082-Q1085 PolarHBondContact O-N 3.41Å; Q1085-Q1088 PolarHBondContact O-N 2.61Å; Q1085-E1089 VanDerWaalsContact O-CB 3.32Å; Q1085-E1089 WeakPolarHBondContact O-CB 3.32Å; Q1085-E1089 PolarHBondContact O-N 3.42Å
1086I90.4Very high87.8Confident7 Ų764.1 Ų64.14%0.03630%0.303CS..Hα-helixtrans-66.3-39.6173.2-62.2170.2000110.6M1081 N1082 W1083 E1089 K1090 V1126 L1129 I1130M1081-I1086 HydrophobicContact CB-CD1 4.44Å; M1081-I1086 HydrophobicContact CB-CG1 3.76Å; M1081-I1086 WeakPolarHBondContact O-CD1 3.41Å; N1082-I1086 WeakPolarHBondContact O-CG1 3.47Å; N1082-I1086 PolarHBondContact O-N 2.97Å; W1083-I1086 HydrophobicContact CE3-CD1 4.1Å; W1083-I1086 HydrophobicContact CZ3-CD1 4.42Å; W1083-I1086 WeakPolarHBondContact O-CB 3.3Å; W1083-I1086 PolarHBondContact O-N 3.34Å; I1086-E1089 PolarHBondContact O-N 2.89Å; I1086-K1090 WeakPolarHBondContact O-CB 3.46Å; I1086-K1090 PolarHBondContact O-N 2.94Å; I1086-V1126 HydrophobicContact CG2-CG1 3.91Å; I1086-V1126 WeakPolarHBondContact O-CG1 3.5Å; I1086-L1129 HydrophobicContact CD1-CD1 4.17Å; I1086-L1129 HydrophobicContact CG2-CB 4.29Å; I1086-L1129 HydrophobicContact CG2-CD1 4.47Å; I1086-I1130 HydrophobicContact CG2-CD1 4.01Å; I1086-I1130 HydrophobicContact CG2-CG1 3.79Å
1087E88Confident88Confident63 Ų6360.4 Ų60.429%0.29429%0.286SS..Hα-helixtrans-63.6-40.1172.5-171.685.2-105.300111.7W1083 D1084 K1090 Y1091W1083-E1087 PolarHBondContact O-N 3.19Å; D1084-E1087 PolarHBondContact O-N 2.88Å; E1087-K1090 WeakPolarHBondContact O-CB 3.36Å; E1087-K1090 IonicContact OE1-NZ 3.73Å; E1087-K1090 PolarHBondContact OE1-NZ 3.44Å; E1087-Y1091 PolarHBondContact O-N 2.8Å
1088Q87.8Confident87.9Confident92 Ų9256 Ų5643%0.4328%0.275SS..Hα-helixtrans-67.8-43.3173.3-69.1166.412.900112.4D1084 Q1085 K1090 Y1091 D1092D1084-Q1088 VanDerWaalsContact O-CG 3.23Å; D1084-Q1088 WeakPolarHBondContact O-CG 3.45Å; D1084-Q1088 PolarHBondContact O-N 3.01Å; Q1085-Q1088 PolarHBondContact O-N 2.61Å; Q1088-K1090 VanDerWaalsContact C-N 3.31Å; Q1088-K1090 PolarHBondContact O-N 3.43Å; Q1088-Y1091 WeakPolarHBondContact O-CB 3.37Å; Q1088-Y1091 PolarHBondContact O-N 2.83Å; Q1088-Y1091 VanDerWaalsContact O-N 3.07Å; Q1088-D1092 PolarHBondContact O-N 3.07Å
1089E92Very high87.4Confident1 Ų159.7 Ų59.71%0.00529%0.288CS..Hα-helixtrans-61.8-39.2177.2-179.673.9-178.100111.3R1069 R1074 L1078 M1081 Q1085 I1086 Y1091 D1092 I1093 R1122 V1126R1069-E1089 IonicContact CZ-OE1 3.9Å; R1069-E1089 VanDerWaalsContact CZ-OE1 3.29Å; R1069-E1089 IonicContact CZ-OE2 2.71Å; R1069-E1089 IonicContact NE-OE1 3.3Å; R1069-E1089 PolarHBondContact NE-OE1 2.92Å; R1069-E1089 IonicContact NE-OE2 3.87Å; R1069-E1089 PolarHBondContact NE-OE2 2.82Å; R1069-E1089 IonicContact NH2-OE1 3.75Å; R1069-E1089 PolarHBondContact NH2-OE1 3.36Å; R1069-E1089 IonicContact NH2-OE2 2.83Å; R1074-E1089 IonicContact NH1-OE2 3.75Å; L1078-E1089 HydrophobicContact CD2-CG 4.23Å; M1081-E1089 HydrophobicContact CE-CB 3.8Å; M1081-E1089 HydrophobicContact CE-CG 4.21Å; Q1085-E1089 VanDerWaalsContact O-CB 3.32Å; Q1085-E1089 WeakPolarHBondContact O-CB 3.32Å; Q1085-E1089 PolarHBondContact O-N 3.42Å; I1086-E1089 PolarHBondContact O-N 2.89Å; E1089-Y1091 VanDerWaalsContact C-N 3.33Å; E1089-Y1091 PolarHBondContact O-N 3.07Å; E1089-D1092 PolarHBondContact O-N 2.94Å; E1089-I1093 HydrophobicContact CG-CD1 3.85Å; E1089-I1093 HydrophobicContact CG-CG1 4.48Å; E1089-I1093 VanDerWaalsContact O-CG1 3.3Å; E1089-I1093 WeakPolarHBondContact O-CG1 3.29Å; E1089-I1093 PolarHBondContact O-N 3.36Å; E1089-I1093 WeakPolarHBondContact OE1-CD1 3.37Å; E1089-R1122 IonicContact OE1-CZ 3.78Å; E1089-R1122 IonicContact OE1-NE 2.66Å; E1089-R1122 PolarHBondContact OE1-NE 3.21Å; E1089-R1122 IonicContact OE1-NH2 2.69Å; E1089-R1122 PolarHBondContact OE1-NH2 2.72Å; E1089-V1126 HydrophobicContact CG-CG2 3.79Å
1090K92.8Very high87.3Confident59 Ų5954.6 Ų54.626%0.25725%0.252SS..Hα-helixtrans-55.9-47.9170.3176.9-172.7131.5-161.10111.1I1086 E1087 Q1088 Q1094 Y1123 V1126 I1130I1086-K1090 WeakPolarHBondContact O-CB 3.46Å; I1086-K1090 PolarHBondContact O-N 2.94Å; E1087-K1090 WeakPolarHBondContact O-CB 3.36Å; E1087-K1090 IonicContact OE1-NZ 3.73Å; E1087-K1090 PolarHBondContact OE1-NZ 3.44Å; Q1088-K1090 VanDerWaalsContact C-N 3.31Å; Q1088-K1090 PolarHBondContact O-N 3.43Å; K1090-Q1094 WeakPolarHBondContact O-CB 3.24Å; K1090-Q1094 PolarHBondContact O-N 3Å; K1090-Y1123 HydrophobicContact CG-CE2 4.32Å; K1090-V1126 HydrophobicContact CB-CG1 3.55Å; K1090-V1126 HydrophobicContact CG-CG1 4.4Å; K1090-I1130 HydrophobicContact CB-CD1 3.92Å; K1090-I1130 HydrophobicContact CD-CD1 3.36Å; K1090-I1130 HydrophobicContact CG-CD1 4.17Å
1091Y88.8Confident87.3Confident130 Ų13053.1 Ų53.151%0.5125%0.245SC..Hα-helixtrans-64.7-49.2-179.3178.2-90.1000111.7E1087 Q1088 E1089 Q1094 K1095E1087-Y1091 PolarHBondContact O-N 2.8Å; Q1088-Y1091 WeakPolarHBondContact O-CB 3.37Å; Q1088-Y1091 PolarHBondContact O-N 2.83Å; Q1088-Y1091 VanDerWaalsContact O-N 3.07Å; E1089-Y1091 VanDerWaalsContact C-N 3.33Å; E1089-Y1091 PolarHBondContact O-N 3.07Å; Y1091-Q1094 PolarHBondContact O-N 3Å; Y1091-K1095 HydrophobicContact CD1-CD 4.31Å; Y1091-K1095 HydrophobicContact CE1-CD 3.55Å; Y1091-K1095 VanDerWaalsContact O-CB 3.26Å; Y1091-K1095 WeakPolarHBondContact O-CB 3.22Å; Y1091-K1095 PolarHBondContact O-N 3.31Å; Y1091-K1095 PolarHBondContact OH-NZ 3.36Å
1092D87.3Confident87Confident11 Ų1155.5 Ų55.56%0.05927%0.273CS..Hα-helixtrans-61.9-49.6-179.5-70.1-42000111.6L1065 Q1068 R1074 Q1088 E1089 Q1094 K1095 S1096L1065-D1092 HydrophobicContact CD2-CB 4.11Å; Q1068-D1092 HydrophobicContact CG-CB 4.5Å; Q1068-D1092 PolarHBondContact NE2-OD1 2.91Å; Q1068-D1092 VanDerWaalsContact NE2-OD1 3.1Å; R1074-D1092 IonicContact CZ-OD2 3.71Å; R1074-D1092 VanDerWaalsContact CZ-OD2 3.24Å; R1074-D1092 IonicContact NH1-OD2 2.73Å; R1074-D1092 PolarHBondContact NH1-OD2 3.46Å; R1074-D1092 IonicContact NH2-OD2 3.34Å; R1074-D1092 PolarHBondContact NH2-OD2 2.98Å; Q1088-D1092 PolarHBondContact O-N 3.07Å; E1089-D1092 PolarHBondContact O-N 2.94Å; D1092-Q1094 PolarHBondContact O-N 2.9Å; D1092-K1095 PolarHBondContact O-N 2.92Å; D1092-S1096 WeakPolarHBondContact O-CB 3.43Å; D1092-S1096 PolarHBondContact O-N 3.35Å; D1092-S1096 PolarHBondContact O-OG 3.43Å
1093I89.9Confident86.4Confident0 Ų053.4 Ų53.40%026%0.262CS..Hα-helixtrans-64.1-41.2177.7-58.3166000110.9L1065 E1089 K1095 S1096 L1097 I1119 R1122 Y1123 V1126L1065-I1093 HydrophobicContact CD1-CG1 4.4Å; L1065-I1093 HydrophobicContact CD2-CG1 4.33Å; E1089-I1093 HydrophobicContact CG-CD1 3.85Å; E1089-I1093 HydrophobicContact CG-CG1 4.48Å; E1089-I1093 VanDerWaalsContact O-CG1 3.3Å; E1089-I1093 WeakPolarHBondContact O-CG1 3.29Å; E1089-I1093 PolarHBondContact O-N 3.36Å; E1089-I1093 WeakPolarHBondContact OE1-CD1 3.37Å; I1093-K1095 VanDerWaalsContact C-N 3.28Å; I1093-K1095 PolarHBondContact O-N 3.2Å; I1093-S1096 PolarHBondContact O-N 3.14Å; I1093-L1097 HydrophobicContact CG2-CD1 3.92Å; I1093-L1097 HydrophobicContact CG2-CG 4.17Å; I1093-L1097 WeakPolarHBondContact O-CB 3.47Å; I1093-L1097 WeakPolarHBondContact O-CG 3.29Å; I1093-L1097 PolarHBondContact O-N 3.28Å; I1093-I1119 HydrophobicContact CG2-CG2 3.72Å; I1093-R1122 HydrophobicContact CD1-CB 4.24Å; I1093-R1122 HydrophobicContact CD1-CG 3.82Å; I1093-Y1123 HydrophobicContact CB-CD2 4.47Å; I1093-Y1123 HydrophobicContact CG2-CD2 4.34Å; I1093-Y1123 HydrophobicContact CG2-CG 4.41Å; I1093-V1126 HydrophobicContact CD1-CG2 4.45Å
1094Q90.9Very high86.1Confident79 Ų7951.1 Ų51.137%0.36925%0.253SS..Hα-helixtrans-61.6-37.9177.7-176.7-179.2-41.600111.7K1090 Y1091 D1092 L1098 Y1123K1090-Q1094 WeakPolarHBondContact O-CB 3.24Å; K1090-Q1094 PolarHBondContact O-N 3Å; Y1091-Q1094 PolarHBondContact O-N 3Å; D1092-Q1094 PolarHBondContact O-N 2.9Å; Q1094-L1098 HydrophobicContact CG-CD1 4.32Å; Q1094-L1098 WeakPolarHBondContact O-CB 3.46Å; Q1094-L1098 VanDerWaalsContact O-CG 3.31Å; Q1094-L1098 WeakPolarHBondContact O-CG 3.43Å; Q1094-L1098 PolarHBondContact O-N 3.05Å; Q1094-Y1123 HydrophobicContact CB-CE2 4.01Å
1095K84.3Confident86Confident65 Ų6548.4 Ų48.428%0.28325%0.246SC..Hα-helixtrans-71.3-40.8178.7-162.8166.1-177-179.10111.7H1006 Y1091 D1092 I1093 L1098 Y1099H1006-K1095 PolarHBondContact CD2-NZ 3.04Å; H1006-K1095 WeakPolarHBondContact CE1-CE 3.43Å; H1006-K1095 PolarHBondContact CE1-NZ 3.31Å; H1006-K1095 WeakPolarHBondContact NE2-CE 3.42Å; H1006-K1095 PolarHBondContact NE2-NZ 3.16Å; Y1091-K1095 HydrophobicContact CD1-CD 4.31Å; Y1091-K1095 HydrophobicContact CE1-CD 3.55Å; Y1091-K1095 VanDerWaalsContact O-CB 3.26Å; Y1091-K1095 WeakPolarHBondContact O-CB 3.22Å; Y1091-K1095 PolarHBondContact O-N 3.31Å; Y1091-K1095 PolarHBondContact OH-NZ 3.36Å; D1092-K1095 PolarHBondContact O-N 2.92Å; I1093-K1095 VanDerWaalsContact C-N 3.28Å; I1093-K1095 PolarHBondContact O-N 3.2Å; K1095-L1098 PolarHBondContact O-N 3.31Å; K1095-Y1099 PolarHBondContact O-N 2.71Å
1096S82.3Confident85.6Confident21 Ų2151.8 Ų51.815%0.14726%0.257CS..Hα-helixtrans-60.9-43.5170.8-76.90000113D1092 I1093 Y1099 F1100D1092-S1096 WeakPolarHBondContact O-CB 3.43Å; D1092-S1096 PolarHBondContact O-N 3.35Å; D1092-S1096 PolarHBondContact O-OG 3.43Å; I1093-S1096 PolarHBondContact O-N 3.14Å; S1096-Y1099 PolarHBondContact O-N 2.77Å; S1096-F1100 PolarHBondContact O-N 2.73Å
1097L89.3Confident85.3Confident13 Ų1352.4 Ų52.47%0.06826%0.261CS..Hα-helixtrans-69.2-33.7176-72.4175.2000113I1093 Y1099 F1100 E1101 M1116 I1119 Y1120 Y1123I1093-L1097 HydrophobicContact CG2-CD1 3.92Å; I1093-L1097 HydrophobicContact CG2-CG 4.17Å; I1093-L1097 WeakPolarHBondContact O-CB 3.47Å; I1093-L1097 WeakPolarHBondContact O-CG 3.29Å; I1093-L1097 PolarHBondContact O-N 3.28Å; L1097-Y1099 VanDerWaalsContact C-N 3.33Å; L1097-F1100 PolarHBondContact O-N 3.42Å; L1097-E1101 WeakPolarHBondContact O-CB 3.44Å; L1097-E1101 PolarHBondContact O-N 2.89Å; L1097-M1116 HydrophobicContact CD2-CE 3.75Å; L1097-I1119 HydrophobicContact CD2-CG2 3.81Å; L1097-I1119 HydrophobicContact CG-CG2 4.12Å; L1097-Y1120 HydrophobicContact CD1-CD1 3.92Å; L1097-Y1120 HydrophobicContact CD1-CE1 3.91Å; L1097-Y1120 HydrophobicContact CD2-CD1 4.17Å; L1097-Y1120 HydrophobicContact CD2-CD2 4.41Å; L1097-Y1120 HydrophobicContact CD2-CE1 3.8Å; L1097-Y1120 HydrophobicContact CD2-CE2 4.05Å; L1097-Y1120 HydrophobicContact CD2-CG 4.46Å; L1097-Y1120 HydrophobicContact CG-CE1 4.41Å; L1097-Y1123 HydrophobicContact CD1-CD1 4.31Å; L1097-Y1123 HydrophobicContact CD1-CG 4.2Å
1098L85.8Confident85Confident74 Ų7458 Ų5839%0.38729%0.285SS..Hα-helixtrans-67.1-33.4171.8-78.5165.9000112.3Q1094 K1095 G1102Q1094-L1098 HydrophobicContact CG-CD1 4.32Å; Q1094-L1098 WeakPolarHBondContact O-CB 3.46Å; Q1094-L1098 VanDerWaalsContact O-CG 3.31Å; Q1094-L1098 WeakPolarHBondContact O-CG 3.43Å; Q1094-L1098 PolarHBondContact O-N 3.05Å; K1095-L1098 PolarHBondContact O-N 3.31Å; L1098-G1102 PolarHBondContact O-N 3.04Å; L1098-G1102 VanDerWaalsContact O-N 3.08Å
1099Y77.5Confident84.8Confident101 Ų10157.2 Ų57.240%0.39629%0.286SS..Hα-helixtrans-69.4-42.9174.1-175.7-126.5000111.7S1013 F1057 K1095 S1096 L1097 E1101 G1102 L1103S1013-Y1099 WeakPolarHBondContact CB-OH 3.36Å; F1057-Y1099 AromaticContact CE2-CD1 3.99Å; F1057-Y1099 HydrophobicContact CE2-CD1 3.99Å; F1057-Y1099 AromaticContact CE2-CE1 3.71Å; F1057-Y1099 HydrophobicContact CE2-CE1 3.71Å; F1057-Y1099 AromaticContact CZ-CD1 3.7Å; F1057-Y1099 HydrophobicContact CZ-CD1 3.7Å; F1057-Y1099 AromaticContact CZ-CE1 3.93Å; F1057-Y1099 HydrophobicContact CZ-CE1 3.93Å; K1095-Y1099 PolarHBondContact O-N 2.71Å; S1096-Y1099 PolarHBondContact O-N 2.77Å; L1097-Y1099 VanDerWaalsContact C-N 3.33Å; Y1099-E1101 PolarHBondContact O-N 2.92Å; Y1099-G1102 PolarHBondContact O-N 2.7Å; Y1099-L1103 HydrophobicContact CD1-CD1 4.42Å; Y1099-L1103 HydrophobicContact CD2-CD1 4.42Å; Y1099-L1103 HydrophobicContact CE1-CD1 3.94Å; Y1099-L1103 HydrophobicContact CE2-CD1 3.94Å; Y1099-L1103 HydrophobicContact CE2-CG 4.34Å; Y1099-L1103 PolarHBondContact O-N 3.06Å
1100F82.7Confident84.3Confident1 Ų162.3 Ų62.30%0.00432%0.32CS..Hα-helixtrans-56.8-49170-179.7-84.1000111.8I1054 F1057 S1096 L1097 G1102 L1103 Y1104 G1105 P1107 M1116I1054-F1100 HydrophobicContact CG2-CE2 4.15Å; I1054-F1100 HydrophobicContact CG2-CZ 4.44Å; F1057-F1100 AromaticContact CD1-CD2 3.74Å; F1057-F1100 HydrophobicContact CD1-CD2 3.74Å; F1057-F1100 HydrophobicContact CD1-CE2 4.37Å; F1057-F1100 HydrophobicContact CE1-CB 3.93Å; F1057-F1100 AromaticContact CE1-CD2 3.6Å; F1057-F1100 HydrophobicContact CE1-CD2 3.6Å; F1057-F1100 HydrophobicContact CE1-CG 4.26Å; F1057-F1100 HydrophobicContact CZ-CB 4.4Å; S1096-F1100 PolarHBondContact O-N 2.73Å; L1097-F1100 PolarHBondContact O-N 3.42Å; F1100-G1102 PolarHBondContact O-N 2.98Å; F1100-L1103 PolarHBondContact O-N 3.49Å; F1100-Y1104 AromaticContact CD2-CD2 3.72Å; F1100-Y1104 HydrophobicContact CD2-CD2 3.72Å; F1100-Y1104 HydrophobicContact CD2-CE2 4.33Å; F1100-Y1104 HydrophobicContact CD2-CG 4.48Å; F1100-Y1104 AromaticContact CE2-CD2 3.59Å; F1100-Y1104 HydrophobicContact CE2-CD2 3.59Å; F1100-Y1104 HydrophobicContact CE2-CE2 4.31Å; F1100-Y1104 AromaticContact CE2-CG 3.96Å; F1100-Y1104 HydrophobicContact CE2-CG 3.96Å; F1100-Y1104 HydrophobicContact CG-CD2 4.33Å; F1100-Y1104 HydrophobicContact CZ-CD2 4.11Å; F1100-Y1104 HydrophobicContact CZ-CG 4.06Å; F1100-Y1104 PolarHBondContact O-N 3.1Å; F1100-G1105 VanDerWaalsContact CE1-O 3.24Å; F1100-G1105 WeakPolarHBondContact CE1-O 3.4Å; F1100-P1107 HydrophobicContact CE1-CG 3.62Å; F1100-P1107 HydrophobicContact CZ-CG 4.07Å; F1100-M1116 HydrophobicContact CB-CE 4.32Å; F1100-M1116 HydrophobicContact CD2-CE 3.84Å; F1100-M1116 HydrophobicContact CD2-CG 4.18Å; F1100-M1116 HydrophobicContact CD2-SD 3.82Å; F1100-M1116 HydrophobicContact CE2-CE 4.36Å; F1100-M1116 HydrophobicContact CE2-CG 3.73Å; F1100-M1116 HydrophobicContact CE2-SD 3.88Å; F1100-M1116 HydrophobicContact CG-CE 3.96Å; F1100-M1116 HydrophobicContact CZ-CG 3.92Å
1101E85.4Confident83.8Confident66 Ų6667.8 Ų67.831%0.30834%0.339SS..Hα-helixtrans-62.6-27-179.5-173.2171.1165.700112.5L1097 Y1099 G1105 R1106L1097-E1101 WeakPolarHBondContact O-CB 3.44Å; L1097-E1101 PolarHBondContact O-N 2.89Å; Y1099-E1101 PolarHBondContact O-N 2.92Å; E1101-G1105 VanDerWaalsContact O-CA 3.22Å; E1101-G1105 WeakPolarHBondContact O-CA 3.32Å; E1101-G1105 PolarHBondContact O-N 2.92Å; E1101-R1106 VanDerWaalsContact CD-NE 3.26Å; E1101-R1106 HydrophobicContact CG-CG 3.95Å; E1101-R1106 IonicContact OE1-CZ 2.73Å; E1101-R1106 IonicContact OE1-NE 3.38Å; E1101-R1106 PolarHBondContact OE1-NE 3.27Å; E1101-R1106 IonicContact OE1-NH2 2.7Å; E1101-R1106 PolarHBondContact OE1-NH2 3.4Å; E1101-R1106 IonicContact OE2-CZ 3.41Å; E1101-R1106 IonicContact OE2-NE 2.68Å; E1101-R1106 PolarHBondContact OE2-NE 2.96Å; E1101-R1106 IonicContact OE2-NH2 3.59Å; E1101-R1106 PolarHBondContact OE2-NH2 2.93Å
1102G79.7Confident83.6Confident63 Ų6361.9 Ų61.965%0.64932%0.316SS*.Hα-helixtrans-80.3-12.8174.400000115.9L1098 Y1099 F1100L1098-G1102 PolarHBondContact O-N 3.04Å; L1098-G1102 VanDerWaalsContact O-N 3.08Å; Y1099-G1102 PolarHBondContact O-N 2.7Å; F1100-G1102 PolarHBondContact O-N 2.98Å
1103L76.4Confident83.6Confident47 Ų4766.8 Ų66.825%0.24634%0.337CS..Hα-helixtrans-108.6-45.3179.7-70174.3000112.8L1017 F1057 Y1099 F1100L1017-L1103 HydrophobicContact CD1-CD2 4.45Å; F1057-L1103 HydrophobicContact CD2-CD1 4.24Å; F1057-L1103 HydrophobicContact CE2-CD1 3.51Å; F1057-L1103 HydrophobicContact CZ-CD1 4.12Å; Y1099-L1103 HydrophobicContact CD1-CD1 4.42Å; Y1099-L1103 HydrophobicContact CD2-CD1 4.42Å; Y1099-L1103 HydrophobicContact CE1-CD1 3.94Å; Y1099-L1103 HydrophobicContact CE2-CD1 3.94Å; Y1099-L1103 HydrophobicContact CE2-CG 4.34Å; Y1099-L1103 PolarHBondContact O-N 3.06Å; F1100-L1103 PolarHBondContact O-N 3.49Å
1104Y80.6Confident83.5Confident47 Ų4777 Ų7718%0.18438%0.375CS..Hα-helixtrans-112.40.4-174.7-57-86.4000113.1L1051 I1052 I1054 F1057 F1100L1051-Y1104 HydrophobicContact CB-CE1 3.89Å; L1051-Y1104 HydrophobicContact CD1-CD1 3.83Å; L1051-Y1104 HydrophobicContact CD1-CE1 3.93Å; L1051-Y1104 HydrophobicContact CG-CE1 4.46Å; I1052-Y1104 VanDerWaalsContact O-CE1 3.24Å; I1052-Y1104 WeakPolarHBondContact O-CE1 3.2Å; I1052-Y1104 PolarHBondContact O-OH 3.42Å; I1054-Y1104 HydrophobicContact CD1-CD1 4.24Å; I1054-Y1104 HydrophobicContact CG1-CD1 3.73Å; I1054-Y1104 HydrophobicContact CG1-CE1 3.86Å; I1054-Y1104 HydrophobicContact CG1-CG 4.36Å; F1057-Y1104 HydrophobicContact CB-CE2 4.05Å; F1057-Y1104 WeakPolarHBondContact CB-OH 3.47Å; F1057-Y1104 AromaticContact CD1-CE2 4Å; F1057-Y1104 HydrophobicContact CD1-CE2 4Å; F1057-Y1104 AromaticContact CD2-CE2 3.74Å; F1057-Y1104 HydrophobicContact CD2-CE2 3.74Å; F1057-Y1104 HydrophobicContact CE1-CE2 4.41Å; F1057-Y1104 HydrophobicContact CE2-CE2 4.17Å; F1057-Y1104 AromaticContact CG-CE2 3.63Å; F1057-Y1104 HydrophobicContact CG-CE2 3.63Å; F1057-Y1104 HydrophobicContact CZ-CE2 4.49Å; F1100-Y1104 AromaticContact CD2-CD2 3.72Å; F1100-Y1104 HydrophobicContact CD2-CD2 3.72Å; F1100-Y1104 HydrophobicContact CD2-CE2 4.33Å; F1100-Y1104 HydrophobicContact CD2-CG 4.48Å; F1100-Y1104 AromaticContact CE2-CD2 3.59Å; F1100-Y1104 HydrophobicContact CE2-CD2 3.59Å; F1100-Y1104 HydrophobicContact CE2-CE2 4.31Å; F1100-Y1104 AromaticContact CE2-CG 3.96Å; F1100-Y1104 HydrophobicContact CE2-CG 3.96Å; F1100-Y1104 HydrophobicContact CG-CD2 4.33Å; F1100-Y1104 HydrophobicContact CZ-CD2 4.11Å; F1100-Y1104 HydrophobicContact CZ-CG 4.06Å; F1100-Y1104 PolarHBondContact O-N 3.1Å
1105G82.8Confident83.4Confident31 Ų3174.6 Ų74.632%0.3237%0.365SS..  trans65.4-163-165.300000112.1F1100 E1101F1100-G1105 VanDerWaalsContact CE1-O 3.24Å; F1100-G1105 WeakPolarHBondContact CE1-O 3.4Å; E1101-G1105 VanDerWaalsContact O-CA 3.22Å; E1101-G1105 WeakPolarHBondContact O-CA 3.32Å; E1101-G1105 PolarHBondContact O-N 2.92Å
1106R83.1Confident83.7Confident116 Ų11671.5 Ų71.544%0.43835%0.352SS..SBendtrans-78.1141.9172.5-63.2-173.4-173-159-4.1110.2D2 E1101 K1108D2-R1106 IonicContact OD1-NH2 3.06Å; D2-R1106 IonicContact OD2-CZ 3.36Å; D2-R1106 IonicContact OD2-NH1 3.23Å; D2-R1106 IonicContact OD2-NH2 2.72Å; D2-R1106 PolarHBondContact OD2-NH2 3.25Å; E1101-R1106 VanDerWaalsContact CD-NE 3.26Å; E1101-R1106 HydrophobicContact CG-CG 3.95Å; E1101-R1106 IonicContact OE1-CZ 2.73Å; E1101-R1106 IonicContact OE1-NE 3.38Å; E1101-R1106 PolarHBondContact OE1-NE 3.27Å; E1101-R1106 IonicContact OE1-NH2 2.7Å; E1101-R1106 PolarHBondContact OE1-NH2 3.4Å; E1101-R1106 IonicContact OE2-CZ 3.41Å; E1101-R1106 IonicContact OE2-NE 2.68Å; E1101-R1106 PolarHBondContact OE2-NE 2.96Å; E1101-R1106 IonicContact OE2-NH2 3.59Å; E1101-R1106 PolarHBondContact OE2-NH2 2.93Å; R1106-K1108 PolarHBondContact O-N 3.45Å
1107P83.3Confident84.1Confident21 Ų2177.6 Ų77.614%0.13638%0.375CS..  trans-56.7104.2176.5-25.134.7000112.1F1100 S1112 K1113 M1116 Y1120F1100-P1107 HydrophobicContact CE1-CG 3.62Å; F1100-P1107 HydrophobicContact CZ-CG 4.07Å; P1107-S1112 WeakPolarHBondContact CA-OG 3.45Å; P1107-K1113 HydrophobicContact CB-CG 3.81Å; P1107-K1113 WeakPolarHBondContact O-CE 3.28Å; P1107-M1116 HydrophobicContact CG-CB 4.5Å; P1107-Y1120 HydrophobicContact CG-CE2 3.96Å
1108K81.7Confident84.2Confident179 Ų17980 Ų8078%0.77839%0.392SS*.  trans-89.2-45.9177.4-69.3173.8-171.2168.40111.1R1106 K1113R1106-K1108 PolarHBondContact O-N 3.45Å; K1108-K1113 WeakPolarHBondContact O-CE 3.28Å; K1108-K1113 PolarHBondContact O-NZ 3.1Å
1109T84.2Confident84.5Confident76 Ų7677 Ų7747%0.46638%0.376SS..SBendtrans-74.4153-175.760.50000112.4R1111 S1112 K1113T1109-R1111 VanDerWaalsContact C-N 3.32Å; T1109-R1111 PolarHBondContact O-N 3.13Å; T1109-S1112 PolarHBondContact N-OG 2.99Å; T1109-S1112 PolarHBondContact O-OG 3.23Å; T1109-S1112 WeakPolarHBondContact OG1-CB 3.47Å; T1109-S1112 PolarHBondContact OG1-N 2.92Å; T1109-S1112 PolarHBondContact OG1-OG 2.72Å; T1109-K1113 WeakPolarHBondContact O-CD 3.31Å; T1109-K1113 VanDerWaalsContact O-CG 3.29Å; T1109-K1113 WeakPolarHBondContact O-CG 3.38Å; T1109-K1113 PolarHBondContact O-N 2.73Å; T1109-K1113 VanDerWaalsContact O-N 3.14Å
1110P81.4Confident85.2Confident109 Ų10975.2 Ų75.271%0.70837%0.369SS*.Hα-helixtrans-58.6-40174.4-25.335.5000113.3K1113 R1114P1110-K1113 PolarHBondContact O-N 3.41Å; P1110-R1114 PolarHBondContact O-N 2.65Å
1111R82.7Confident85.6Confident174 Ų17477.5 Ų77.566%0.65738%0.38SS*.Hα-helixtrans-58.4-55.6177.1-178.1170.2174.4166.5-1.9112E1055 T1109 K1113 R1114 I1115E1055-R1111 IonicContact OE1-CZ 3.09Å; E1055-R1111 IonicContact OE1-NE 3.27Å; E1055-R1111 PolarHBondContact OE1-NE 2.71Å; E1055-R1111 IonicContact OE1-NH2 2.74Å; E1055-R1111 PolarHBondContact OE1-NH2 2.89Å; T1109-R1111 VanDerWaalsContact C-N 3.32Å; T1109-R1111 PolarHBondContact O-N 3.13Å; R1111-K1113 VanDerWaalsContact C-N 3.28Å; R1111-K1113 PolarHBondContact O-N 2.68Å; R1111-R1114 PolarHBondContact O-N 3.09Å; R1111-I1115 HydrophobicContact CG-CD1 3.82Å; R1111-I1115 WeakPolarHBondContact O-CD1 3.4Å; R1111-I1115 WeakPolarHBondContact O-CG1 3.34Å; R1111-I1115 PolarHBondContact O-N 3.41Å
1112S84.2Confident86Confident5 Ų576.6 Ų76.64%0.03537%0.374CS..Hα-helixtrans-60.3-35.5178.159.70000113.2P1107 T1109 M1116P1107-S1112 WeakPolarHBondContact CA-OG 3.45Å; T1109-S1112 PolarHBondContact N-OG 2.99Å; T1109-S1112 PolarHBondContact O-OG 3.23Å; T1109-S1112 WeakPolarHBondContact OG1-CB 3.47Å; T1109-S1112 PolarHBondContact OG1-N 2.92Å; T1109-S1112 PolarHBondContact OG1-OG 2.72Å; S1112-M1116 PolarHBondContact O-N 3.29Å; S1112-M1116 VanDerWaalsContact O-N 3.16Å
1113K87.8Confident86.7Confident115 Ų11576.5 Ų76.550%0.535%0.354SS..Hα-helixtrans-66.7-36.9173.4-72.4165.3176.5158.70113.1P1107 K1108 T1109 P1110 R1111 K1117P1107-K1113 HydrophobicContact CB-CG 3.81Å; P1107-K1113 WeakPolarHBondContact O-CE 3.28Å; K1108-K1113 WeakPolarHBondContact O-CE 3.28Å; K1108-K1113 PolarHBondContact O-NZ 3.1Å; T1109-K1113 WeakPolarHBondContact O-CD 3.31Å; T1109-K1113 VanDerWaalsContact O-CG 3.29Å; T1109-K1113 WeakPolarHBondContact O-CG 3.38Å; T1109-K1113 PolarHBondContact O-N 2.73Å; T1109-K1113 VanDerWaalsContact O-N 3.14Å; P1110-K1113 PolarHBondContact O-N 3.41Å; R1111-K1113 VanDerWaalsContact C-N 3.28Å; R1111-K1113 PolarHBondContact O-N 2.68Å; K1113-K1117 WeakPolarHBondContact O-CB 3.37Å; K1113-K1117 PolarHBondContact O-N 2.83Å
1114R88.3Confident87.4Confident213 Ų21380.9 Ų80.980%0.80437%0.367SS*.Hα-helixtrans-68.7-47.7178.1-172.1179.9-114.8177.7-3.2110.6P1110 R1111 K1117P1110-R1114 PolarHBondContact O-N 2.65Å; R1111-R1114 PolarHBondContact O-N 3.09Å; R1114-K1117 VanDerWaalsContact O-CB 3.22Å; R1114-K1117 WeakPolarHBondContact O-CB 3.01Å; R1114-K1117 PolarHBondContact O-N 3.23Å
1115I88.3Confident87.9Confident30 Ų3082.8 Ų82.815%0.15438%0.378CS..Hα-helixtrans-60.5-53.8-179.9-60.5155.3000111I1054 E1055 Y1058 R1111 K1117 P1118I1054-I1115 HydrophobicContact CB-CD1 4.19Å; I1054-I1115 HydrophobicContact CG2-CB 4.21Å; I1054-I1115 HydrophobicContact CG2-CD1 3.84Å; I1054-I1115 HydrophobicContact CG2-CG2 4.06Å; E1055-I1115 VanDerWaalsContact CD-CD1 3.44Å; E1055-I1115 HydrophobicContact CG-CD1 3.77Å; E1055-I1115 HydrophobicContact CG-CG1 4.25Å; E1055-I1115 VanDerWaalsContact OE1-CD1 3.24Å; E1055-I1115 WeakPolarHBondContact OE1-CD1 3.46Å; Y1058-I1115 HydrophobicContact CD1-CG2 4.38Å; Y1058-I1115 HydrophobicContact CD2-CG2 4.31Å; Y1058-I1115 WeakPolarHBondContact CD2-O 3.31Å; Y1058-I1115 WeakPolarHBondContact CE2-O 3.44Å; Y1058-I1115 HydrophobicContact CG-CG2 3.87Å; R1111-I1115 HydrophobicContact CG-CD1 3.82Å; R1111-I1115 WeakPolarHBondContact O-CD1 3.4Å; R1111-I1115 WeakPolarHBondContact O-CG1 3.34Å; R1111-I1115 PolarHBondContact O-N 3.41Å; I1115-K1117 PolarHBondContact O-N 3.35Å; I1115-P1118 WeakPolarHBondContact O-CD 3.43Å
1116M89.9Confident88.4Confident0 Ų081.3 Ų81.30%036%0.363CS..THydrogen-bonded Turntrans-76.1-3.6-177.4-71.6-64.1-65.700114.6Y1058 L1061 L1097 F1100 P1107 S1112 P1118 I1119 Y1120Y1058-M1116 HydrophobicContact CD2-SD 4.18Å; L1061-M1116 HydrophobicContact CD2-CE 4.06Å; L1097-M1116 HydrophobicContact CD2-CE 3.75Å; F1100-M1116 HydrophobicContact CB-CE 4.32Å; F1100-M1116 HydrophobicContact CD2-CE 3.84Å; F1100-M1116 HydrophobicContact CD2-CG 4.18Å; F1100-M1116 HydrophobicContact CD2-SD 3.82Å; F1100-M1116 HydrophobicContact CE2-CE 4.36Å; F1100-M1116 HydrophobicContact CE2-CG 3.73Å; F1100-M1116 HydrophobicContact CE2-SD 3.88Å; F1100-M1116 HydrophobicContact CG-CE 3.96Å; F1100-M1116 HydrophobicContact CZ-CG 3.92Å; P1107-M1116 HydrophobicContact CG-CB 4.5Å; S1112-M1116 PolarHBondContact O-N 3.29Å; S1112-M1116 VanDerWaalsContact O-N 3.16Å; M1116-P1118 VanDerWaalsContact C-CD 3.43Å; M1116-I1119 HydrophobicContact CE-CB 4.43Å; M1116-I1119 HydrophobicContact CE-CD1 4.12Å; M1116-I1119 PolarHBondContact O-N 3.1Å; M1116-I1119 HydrophobicContact SD-CD1 4.41Å; M1116-Y1120 HydrophobicContact CB-CD2 3.91Å; M1116-Y1120 HydrophobicContact CB-CE2 3.8Å; M1116-Y1120 WeakPolarHBondContact O-CD2 3.27Å; M1116-Y1120 PolarHBondContact O-N 2.98Å
1117K90.9Very high88.7Confident148 Ų14881.5 Ų81.564%0.64337%0.367SS*.Hα-helixtrans-50.4-44.9-176.2-175.4-173.2173.4-166.90113.7K1113 R1114 I1115 I1119 Y1120 E1121K1113-K1117 WeakPolarHBondContact O-CB 3.37Å; K1113-K1117 PolarHBondContact O-N 2.83Å; R1114-K1117 VanDerWaalsContact O-CB 3.22Å; R1114-K1117 WeakPolarHBondContact O-CB 3.01Å; R1114-K1117 PolarHBondContact O-N 3.23Å; I1115-K1117 PolarHBondContact O-N 3.35Å; K1117-I1119 PolarHBondContact O-N 3.24Å; K1117-Y1120 PolarHBondContact O-N 2.93Å; K1117-E1121 PolarHBondContact O-N 2.87Å
1118P91.6Very high88.9Confident64 Ų6487.1 Ų87.142%0.41639%0.385SS..Hα-helixtrans-63.1-43.8-175.4-24.537.5000113Y1058 I1115 M1116 Y1120 E1121 R1122Y1058-P1118 HydrophobicContact CE2-CB 4.43Å; Y1058-P1118 HydrophobicContact CE2-CG 4.18Å; I1115-P1118 WeakPolarHBondContact O-CD 3.43Å; M1116-P1118 VanDerWaalsContact C-CD 3.43Å; P1118-Y1120 PolarHBondContact O-N 3.02Å; P1118-E1121 PolarHBondContact O-N 3.42Å; P1118-R1122 PolarHBondContact O-N 3.2Å
1119I91.5Very high89.3Confident10 Ų1081.4 Ų81.45%0.05136%0.363CS..Hα-helixtrans-67.4-39.1-178.5-58.1178.9000110.6Y1058 L1061 I1093 L1097 M1116 K1117 Y1123Y1058-I1119 HydrophobicContact CD2-CD1 3.8Å; Y1058-I1119 HydrophobicContact CD2-CG1 4.32Å; Y1058-I1119 HydrophobicContact CE2-CD1 3.97Å; Y1058-I1119 HydrophobicContact CE2-CG1 4.02Å; L1061-I1119 HydrophobicContact CB-CD1 4.3Å; L1061-I1119 HydrophobicContact CD2-CD1 3.66Å; L1061-I1119 HydrophobicContact CG-CD1 4.13Å; I1093-I1119 HydrophobicContact CG2-CG2 3.72Å; L1097-I1119 HydrophobicContact CD2-CG2 3.81Å; L1097-I1119 HydrophobicContact CG-CG2 4.12Å; M1116-I1119 HydrophobicContact CE-CB 4.43Å; M1116-I1119 HydrophobicContact CE-CD1 4.12Å; M1116-I1119 PolarHBondContact O-N 3.1Å; M1116-I1119 HydrophobicContact SD-CD1 4.41Å; K1117-I1119 PolarHBondContact O-N 3.24Å; I1119-Y1123 PolarHBondContact O-N 3.39Å; I1119-Y1123 VanDerWaalsContact O-N 3.1Å
1120Y92.2Very high89.4Confident64 Ų6478.6 Ų78.625%0.25135%0.345SS..Hα-helixtrans-66.3-33.2173.7-79.9-68.6000113.4L1097 P1107 M1116 K1117 P1118 R1124L1097-Y1120 HydrophobicContact CD1-CD1 3.92Å; L1097-Y1120 HydrophobicContact CD1-CE1 3.91Å; L1097-Y1120 HydrophobicContact CD2-CD1 4.17Å; L1097-Y1120 HydrophobicContact CD2-CD2 4.41Å; L1097-Y1120 HydrophobicContact CD2-CE1 3.8Å; L1097-Y1120 HydrophobicContact CD2-CE2 4.05Å; L1097-Y1120 HydrophobicContact CD2-CG 4.46Å; L1097-Y1120 HydrophobicContact CG-CE1 4.41Å; P1107-Y1120 HydrophobicContact CG-CE2 3.96Å; M1116-Y1120 HydrophobicContact CB-CD2 3.91Å; M1116-Y1120 HydrophobicContact CB-CE2 3.8Å; M1116-Y1120 WeakPolarHBondContact O-CD2 3.27Å; M1116-Y1120 PolarHBondContact O-N 2.98Å; K1117-Y1120 PolarHBondContact O-N 2.93Å; P1118-Y1120 PolarHBondContact O-N 3.02Å; Y1120-R1124 WeakPolarHBondContact O-CD 3.34Å; Y1120-R1124 VanDerWaalsContact O-CG 3.27Å; Y1120-R1124 WeakPolarHBondContact O-CG 3.38Å; Y1120-R1124 PolarHBondContact O-N 3.33Å
1121E91.8Very high89.3Confident50 Ų5076.3 Ų76.323%0.23433%0.332CS..Hα-helixtrans-78.1-37176.5-163.758.7-139.600112.5K1117 P1118 Y1123 R1124 Q1125 R1128K1117-E1121 PolarHBondContact O-N 2.87Å; P1118-E1121 PolarHBondContact O-N 3.42Å; E1121-Y1123 VanDerWaalsContact C-N 3.33Å; E1121-Y1123 PolarHBondContact O-N 3.29Å; E1121-R1124 CarbonylContact O-C 3.59Å; E1121-R1124 WeakPolarHBondContact O-CA 3.22Å; E1121-R1124 WeakPolarHBondContact O-CB 3.18Å; E1121-R1124 PolarHBondContact O-N 3.21Å; E1121-R1124 WeakPolarHBondContact OE2-CD 3.48Å; E1121-R1124 IonicContact OE2-CZ 2.88Å; E1121-R1124 IonicContact OE2-NE 3.69Å; E1121-R1124 IonicContact OE2-NH1 2.87Å; E1121-R1124 PolarHBondContact OE2-NH1 3.34Å; E1121-Q1125 WeakPolarHBondContact O-CG 3.48Å; E1121-Q1125 PolarHBondContact O-N 3.47Å; E1121-R1128 IonicContact OE1-CZ 3.67Å; E1121-R1128 VanDerWaalsContact OE1-CZ 3.27Å; E1121-R1128 IonicContact OE1-NH1 2.71Å; E1121-R1128 PolarHBondContact OE1-NH1 2.73Å; E1121-R1128 IonicContact OE1-NH2 3.34Å; E1121-R1128 PolarHBondContact OE1-NH2 3.09Å
1122R92.8Very high89Confident46 Ų4670.2 Ų70.217%0.17432%0.316CS..Hα-helixtrans-58.9-44.1171.9-165.4176.8179.7118.91.1111.6R1069 E1076 L1078 E1089 I1093 P1118 R1124 Q1125 V1126R1069-R1122 VanDerWaalsContact CZ-CZ 3.47Å; R1069-R1122 VanDerWaalsContact NE-NH2 3.16Å; E1076-R1122 PolarHBondContact O-NH1 3.24Å; E1076-R1122 PolarHBondContact O-NH2 3.16Å; E1076-R1122 IonicContact OE1-CZ 2.65Å; E1076-R1122 IonicContact OE1-NH1 3.94Å; E1076-R1122 PolarHBondContact OE1-NH1 3.22Å; E1076-R1122 IonicContact OE1-NH2 3.36Å; E1076-R1122 PolarHBondContact OE1-NH2 3.05Å; L1078-R1122 HydrophobicContact CD1-CG 4.47Å; E1089-R1122 IonicContact OE1-CZ 3.78Å; E1089-R1122 IonicContact OE1-NE 2.66Å; E1089-R1122 PolarHBondContact OE1-NE 3.21Å; E1089-R1122 IonicContact OE1-NH2 2.69Å; E1089-R1122 PolarHBondContact OE1-NH2 2.72Å; I1093-R1122 HydrophobicContact CD1-CB 4.24Å; I1093-R1122 HydrophobicContact CD1-CG 3.82Å; P1118-R1122 PolarHBondContact O-N 3.2Å; R1122-R1124 VanDerWaalsContact C-N 3.29Å; R1122-R1124 PolarHBondContact O-N 2.93Å; R1122-Q1125 PolarHBondContact O-N 3.48Å; R1122-V1126 WeakPolarHBondContact O-CG2 3.34Å; R1122-V1126 PolarHBondContact O-N 2.82Å
1123Y94.3Very high88.2Confident61 Ų6175.4 Ų75.424%0.23933%0.334CS..Hα-helixtrans-59.5-36.8172.3-179.3-116.5000113K1090 I1093 Q1094 L1097 I1119 E1121 K1127K1090-Y1123 HydrophobicContact CG-CE2 4.32Å; I1093-Y1123 HydrophobicContact CB-CD2 4.47Å; I1093-Y1123 HydrophobicContact CG2-CD2 4.34Å; I1093-Y1123 HydrophobicContact CG2-CG 4.41Å; Q1094-Y1123 HydrophobicContact CB-CE2 4.01Å; L1097-Y1123 HydrophobicContact CD1-CD1 4.31Å; L1097-Y1123 HydrophobicContact CD1-CG 4.2Å; I1119-Y1123 PolarHBondContact O-N 3.39Å; I1119-Y1123 VanDerWaalsContact O-N 3.1Å; E1121-Y1123 VanDerWaalsContact C-N 3.33Å; E1121-Y1123 PolarHBondContact O-N 3.29Å; Y1123-K1127 VanDerWaalsContact O-CB 3.28Å; Y1123-K1127 WeakPolarHBondContact O-CB 3.5Å; Y1123-K1127 PolarHBondContact O-N 3.03Å
1124R91.6Very high86.9Confident140 Ų14076.2 Ų76.253%0.52834%0.335SS..Hα-helixtrans-69-42.6175.2-72.1161.6175.4-174.50.5112.1Y1120 E1121 R1122 K1127 R1128Y1120-R1124 WeakPolarHBondContact O-CD 3.34Å; Y1120-R1124 VanDerWaalsContact O-CG 3.27Å; Y1120-R1124 WeakPolarHBondContact O-CG 3.38Å; Y1120-R1124 PolarHBondContact O-N 3.33Å; E1121-R1124 CarbonylContact O-C 3.59Å; E1121-R1124 WeakPolarHBondContact O-CA 3.22Å; E1121-R1124 WeakPolarHBondContact O-CB 3.18Å; E1121-R1124 PolarHBondContact O-N 3.21Å; E1121-R1124 WeakPolarHBondContact OE2-CD 3.48Å; E1121-R1124 IonicContact OE2-CZ 2.88Å; E1121-R1124 IonicContact OE2-NE 3.69Å; E1121-R1124 IonicContact OE2-NH1 2.87Å; E1121-R1124 PolarHBondContact OE2-NH1 3.34Å; R1122-R1124 VanDerWaalsContact C-N 3.29Å; R1122-R1124 PolarHBondContact O-N 2.93Å; R1124-K1127 PolarHBondContact O-N 2.67Å; R1124-R1128 WeakPolarHBondContact O-CG 3.49Å; R1124-R1128 PolarHBondContact O-N 3.39Å
1125Q92.1Very high84.9Confident86 Ų8669.1 Ų69.140%0.40233%0.328SS..Hα-helixtrans-59.6-52.9176.5-69166.4-10.500110.8L1078 E1121 R1122 K1127 R1128 L1129L1078-Q1125 HydrophobicContact CD1-CB 3.54Å; E1121-Q1125 WeakPolarHBondContact O-CG 3.48Å; E1121-Q1125 PolarHBondContact O-N 3.47Å; R1122-Q1125 PolarHBondContact O-N 3.48Å; Q1125-K1127 VanDerWaalsContact C-N 3.28Å; Q1125-K1127 PolarHBondContact O-N 2.92Å; Q1125-R1128 WeakPolarHBondContact O-CB 3.46Å; Q1125-R1128 PolarHBondContact O-N 3.11Å; Q1125-L1129 WeakPolarHBondContact O-CG 3.15Å; Q1125-L1129 PolarHBondContact O-N 3.17Å
1126V91.9Very high82.5Confident0 Ų074.2 Ų74.20%035%0.354CS..Hα-helixtrans-54.2-44.2173.9169.60000111.6L1078 I1086 E1089 K1090 I1093 R1122 L1129 I1130L1078-V1126 HydrophobicContact CD1-CG2 3.87Å; L1078-V1126 HydrophobicContact CD2-CG2 3.67Å; L1078-V1126 HydrophobicContact CG-CG2 4.44Å; I1086-V1126 HydrophobicContact CG2-CG1 3.91Å; I1086-V1126 WeakPolarHBondContact O-CG1 3.5Å; E1089-V1126 HydrophobicContact CG-CG2 3.79Å; K1090-V1126 HydrophobicContact CB-CG1 3.55Å; K1090-V1126 HydrophobicContact CG-CG1 4.4Å; I1093-V1126 HydrophobicContact CD1-CG2 4.45Å; R1122-V1126 WeakPolarHBondContact O-CG2 3.34Å; R1122-V1126 PolarHBondContact O-N 2.82Å; V1126-L1129 PolarHBondContact O-N 3.45Å; V1126-I1130 HydrophobicContact CG1-CD1 4.12Å; V1126-I1130 WeakPolarHBondContact O-CG1 3.21Å; V1126-I1130 PolarHBondContact O-N 2.77Å; V1126-I1130 VanDerWaalsContact O-N 3.09Å
1127K89.8Confident79.6Confident120 Ų12078.3 Ų78.352%0.52238%0.382SS..Hα-helixtrans-66.8-35.5176.4-167.9-176.5176.5-164.80113Y1123 R1124 Q1125 S1131Y1123-K1127 VanDerWaalsContact O-CB 3.28Å; Y1123-K1127 WeakPolarHBondContact O-CB 3.5Å; Y1123-K1127 PolarHBondContact O-N 3.03Å; R1124-K1127 PolarHBondContact O-N 2.67Å; Q1125-K1127 VanDerWaalsContact C-N 3.28Å; Q1125-K1127 PolarHBondContact O-N 2.92Å; K1127-S1131 VanDerWaalsContact O-CB 3.31Å; K1127-S1131 WeakPolarHBondContact O-CB 3.4Å; K1127-S1131 PolarHBondContact O-N 3.09Å; K1127-S1131 PolarHBondContact O-OG 3.33Å
1128R88.7Confident76.6Confident140 Ų14075.4 Ų75.453%0.52838%0.38SS..Hα-helixtrans-61.8-48.7174.1-72.8175.6-168.4110.2-1.8110.3E1121 R1124 Q1125 I1130 S1131 S1132E1121-R1128 IonicContact OE1-CZ 3.67Å; E1121-R1128 VanDerWaalsContact OE1-CZ 3.27Å; E1121-R1128 IonicContact OE1-NH1 2.71Å; E1121-R1128 PolarHBondContact OE1-NH1 2.73Å; E1121-R1128 IonicContact OE1-NH2 3.34Å; E1121-R1128 PolarHBondContact OE1-NH2 3.09Å; R1124-R1128 WeakPolarHBondContact O-CG 3.49Å; R1124-R1128 PolarHBondContact O-N 3.39Å; Q1125-R1128 WeakPolarHBondContact O-CB 3.46Å; Q1125-R1128 PolarHBondContact O-N 3.11Å; R1128-I1130 PolarHBondContact O-N 3.18Å; R1128-S1131 PolarHBondContact O-N 3.12Å; R1128-S1131 VanDerWaalsContact O-N 3.13Å; R1128-S1132 PolarHBondContact O-N 3.49Å
1129L88.5Confident73.6Confident59 Ų5980.1 Ų80.131%0.30940%0.397SS..Hα-helixtrans-56-50.6177.8-66.4169.1000111.5L1078 W1083 I1086 Q1125 V1126 S1131 S1132 R1133L1078-L1129 HydrophobicContact CB-CD1 4.13Å; L1078-L1129 HydrophobicContact CD1-CD1 4.45Å; W1083-L1129 HydrophobicContact CZ3-CB 4.34Å; W1083-L1129 WeakPolarHBondContact CZ3-O 3.34Å; I1086-L1129 HydrophobicContact CD1-CD1 4.17Å; I1086-L1129 HydrophobicContact CG2-CB 4.29Å; I1086-L1129 HydrophobicContact CG2-CD1 4.47Å; Q1125-L1129 WeakPolarHBondContact O-CG 3.15Å; Q1125-L1129 PolarHBondContact O-N 3.17Å; V1126-L1129 PolarHBondContact O-N 3.45Å; L1129-S1131 VanDerWaalsContact C-N 3.33Å; L1129-S1131 PolarHBondContact O-N 2.77Å; L1129-S1132 WeakPolarHBondContact O-CB 3.41Å; L1129-S1132 PolarHBondContact O-N 2.88Å; L1129-S1132 VanDerWaalsContact O-N 3.15Å; L1129-R1133 PolarHBondContact O-N 2.94Å; L1129-R1133 VanDerWaalsContact O-N 3.12Å
1130I86.8Confident70.5Confident16 Ų1688.4 Ų88.48%0.08243%0.433CS..Hα-helixtrans-64.3-36.7177.5-66.7172.3000111.9I1086 K1090 V1126 R1128 S1132 R1133 Y1134I1086-I1130 HydrophobicContact CG2-CD1 4.01Å; I1086-I1130 HydrophobicContact CG2-CG1 3.79Å; K1090-I1130 HydrophobicContact CB-CD1 3.92Å; K1090-I1130 HydrophobicContact CD-CD1 3.36Å; K1090-I1130 HydrophobicContact CG-CD1 4.17Å; V1126-I1130 HydrophobicContact CG1-CD1 4.12Å; V1126-I1130 WeakPolarHBondContact O-CG1 3.21Å; V1126-I1130 PolarHBondContact O-N 2.77Å; V1126-I1130 VanDerWaalsContact O-N 3.09Å; R1128-I1130 PolarHBondContact O-N 3.18Å; I1130-S1132 VanDerWaalsContact C-N 3.28Å; I1130-S1132 PolarHBondContact O-N 2.72Å; I1130-R1133 PolarHBondContact O-N 3.44Å; I1130-Y1134 HydrophobicContact CG2-CD2 4.02Å; I1130-Y1134 HydrophobicContact CG2-CE2 3.91Å; I1130-Y1134 VanDerWaalsContact O-CD2 3.28Å; I1130-Y1134 WeakPolarHBondContact O-CD2 3.29Å; I1130-Y1134 PolarHBondContact O-N 3.49Å
1131S79.2Confident67.4Low62 Ų6290.3 Ų90.343%0.43445%0.453SS..Hα-helixtrans-68.9-28.1176.8-53.60000112.5K1127 R1128 L1129K1127-S1131 VanDerWaalsContact O-CB 3.31Å; K1127-S1131 WeakPolarHBondContact O-CB 3.4Å; K1127-S1131 PolarHBondContact O-N 3.09Å; K1127-S1131 PolarHBondContact O-OG 3.33Å; R1128-S1131 PolarHBondContact O-N 3.12Å; R1128-S1131 VanDerWaalsContact O-N 3.13Å; L1129-S1131 VanDerWaalsContact C-N 3.33Å; L1129-S1131 PolarHBondContact O-N 2.77Å
1132S75.8Confident64.4Low46 Ų4695.3 Ų95.332%0.32247%0.474SS..Hα-helixtrans-66.5-54.3170.9-177.10000110.8R1128 L1129 I1130 Y1134 G1135 I1345R1128-S1132 PolarHBondContact O-N 3.49Å; L1129-S1132 WeakPolarHBondContact O-CB 3.41Å; L1129-S1132 PolarHBondContact O-N 2.88Å; L1129-S1132 VanDerWaalsContact O-N 3.15Å; I1130-S1132 VanDerWaalsContact C-N 3.28Å; I1130-S1132 PolarHBondContact O-N 2.72Å; S1132-Y1134 PolarHBondContact O-N 2.97Å; S1132-G1135 PolarHBondContact O-N 3.12Å; S1132-I1345 WeakPolarHBondContact OG-CG2 3.45Å
1133R68Low61.1Low113 Ų11397 Ų9743%0.42651%0.506SS..Hα-helixtrans-48-36.1-178.6-164.1-169.6-171.8-174.96.7113.8W1083 D1084 L1129 I1130W1083-R1133 VanDerWaalsContact CB-CZ 3.45Å; W1083-R1133 HydrophobicContact CD2-CG 4.15Å; W1083-R1133 HydrophobicContact CE3-CB 4.09Å; W1083-R1133 HydrophobicContact CE3-CG 4.07Å; W1083-R1133 HydrophobicContact CH2-CB 4.03Å; W1083-R1133 HydrophobicContact CH2-CG 4.36Å; W1083-R1133 HydrophobicContact CZ2-CG 4.44Å; W1083-R1133 HydrophobicContact CZ3-CB 3.77Å; W1083-R1133 HydrophobicContact CZ3-CG 4.18Å; D1084-R1133 IonicContact OD1-NH1 2.73Å; L1129-R1133 PolarHBondContact O-N 2.94Å; L1129-R1133 VanDerWaalsContact O-N 3.12Å; I1130-R1133 PolarHBondContact O-N 3.44Å
1134Y60.4Low58.1Low133 Ų133102.4 Ų102.452%0.52254%0.535SS..THydrogen-bonded Turntrans-94.4-8.8-177-70.9-66000115.3I1130 S1132 I1136I1130-Y1134 HydrophobicContact CG2-CD2 4.02Å; I1130-Y1134 HydrophobicContact CG2-CE2 3.91Å; I1130-Y1134 VanDerWaalsContact O-CD2 3.28Å; I1130-Y1134 WeakPolarHBondContact O-CD2 3.29Å; I1130-Y1134 PolarHBondContact O-N 3.49Å; S1132-Y1134 PolarHBondContact O-N 2.97Å; Y1134-I1136 WeakPolarHBondContact O-CG1 3.24Å; Y1134-I1136 PolarHBondContact O-N 3.15Å
1135G46.6Very low55.1Low63 Ų63102 Ų10265%0.64954%0.543SS*.  trans63.6-5.1179.400000116.8S1132 C1137S1132-G1135 PolarHBondContact O-N 3.12Å; G1135-C1137 VanDerWaalsContact C-N 3.34Å; G1135-C1137 PolarHBondContact O-N 3.45Å
1136I37.2Very low52.2Low137 Ų137104.9 Ų104.970%0.70356%0.561SS**  trans-77.181.3-174.5-63.1160.2000110.5Y1134 S1138Y1134-I1136 WeakPolarHBondContact O-CG1 3.24Å; Y1134-I1136 PolarHBondContact O-N 3.15Å; I1136-S1138 PolarHBondContact O-N 2.91Å; I1136-S1138 VanDerWaalsContact O-N 3.1Å
1137C29.5Very low49.4Very low87 Ų87109.6 Ų109.659%0.58859%0.594SS**  trans-83.379173.1-146.10000110.9G1135 E1139 K1338G1135-C1137 VanDerWaalsContact C-N 3.34Å; G1135-C1137 PolarHBondContact O-N 3.45Å; C1137-E1139 PolarHBondContact O-N 3.01Å; C1137-K1338 WeakPolarHBondContact SG-CE 3.33Å
1138S27.9Very low46.6Very low86 Ų86114.8 Ų114.860%0.60161%0.61SS**  trans-48.4118.6-173.260.90000114.6I1136I1136-S1138 PolarHBondContact O-N 2.91Å; I1136-S1138 VanDerWaalsContact O-N 3.1Å
1139E28.2Very low43.7Very low164 Ų164115.3 Ų115.377%0.76662%0.623SS**SBend174.6133.2119.1-95.4176.6-175.800111.7C1137C1137-E1139 PolarHBondContact O-N 3.01Å
1140F26.2Very low40.9Very low184 Ų184122.4 Ų122.481%0.80765%0.651SS**SBendtrans71.5160174.6-81-92.4000117.9
1141P27.4Very low38.2Very low103 Ų103127.4 Ų127.467%0.66968%0.682SS**SBendtrans-91.9-172-155.638.5-39.1000114.7
1142F28.6Very low35.8Very low156 Ų156130 Ų13068%0.68470%0.697SS**  trans7684.6-163.7-58.6-74.1000112.8
1143G24.5Very low33.7Very low81 Ų81135.1 Ų135.184%0.83572%0.721SS**  trans-77.5130.9165.200000110.6
1144M31.8Very low31.8Very low174 Ų174139.1 Ų139.186%0.85774%0.742SS**  trans-125.6139.6153.5-70.3-162.276.500107.8L1146M1144-L1146 PolarHBondContact O-N 3.3Å
1145N27.6Very low30.3Very low132 Ų132140.2 Ų140.271%0.70676%0.756SS**  trans-86.7112.5-171.5-168.3-14000109.5S1147N1145-S1147 VanDerWaalsContact CG-OG 3.23Å; N1145-S1147 PolarHBondContact ND2-OG 3.02Å; N1145-S1147 PolarHBondContact O-N 2.83Å; N1145-S1147 PolarHBondContact OD1-N 2.87Å; N1145-S1147 PolarHBondContact OD1-OG 2.74Å
1146L32.1Very low29.7Very low146 Ų146143 Ų14376%0.76477%0.766SS**  trans-76.6-2.2-173.7-113.371000114.5M1144 R1148M1144-L1146 PolarHBondContact O-N 3.3Å; L1146-R1148 PolarHBondContact O-N 2.71Å
1147S33.1Very low29.1Very low99 Ų99143.7 Ų143.769%0.69277%0.77SS**THydrogen-bonded Turntrans-69.220178.857.40000115.4N1145N1145-S1147 VanDerWaalsContact CG-OG 3.23Å; N1145-S1147 PolarHBondContact ND2-OG 3.02Å; N1145-S1147 PolarHBondContact O-N 2.83Å; N1145-S1147 PolarHBondContact OD1-N 2.87Å; N1145-S1147 PolarHBondContact OD1-OG 2.74Å
1148R31.4Very low29.4Very low230 Ų230146.1 Ų146.187%0.86878%0.781SS**THydrogen-bonded Turntrans-132.621.9-174.7-152.7-178.1-81.5-139.3-2.8114.6L1146L1146-R1148 PolarHBondContact O-N 2.71Å
1149L26.9Very low29.4Very low151 Ų151148.8 Ų148.879%0.79179%0.789SS**  trans-115.182.1164.8-73173.6000109.4
1150K29.7Very low29.6Very low207 Ų207148.1 Ų148.190%0.980%0.796SS**PPolyproline II helixtrans-72.4124.2160.3-109.6-176.4174-1750107
1151V30.2Very low29.7Very low122 Ų122145.6 Ų145.674%0.73979%0.791SS**PPolyproline II helixtrans-67.1127.4166.9177.70000107.4N1153V1151-N1153 PolarHBondContact O-N 3.44Å
1152P28Very low29.7Very low116 Ų116147.6 Ų147.675%0.75379%0.791SS**PPolyproline II helixtrans-72125.4166.529.8-30.9000108.3
1153N31.5Very low29.6Very low154 Ų154148.1 Ų148.182%0.82480%0.795SS**PPolyproline II helixtrans-64.3146.9168.5-82.72.5000109.3V1151V1151-N1153 PolarHBondContact O-N 3.44Å
1154K28.4Very low29.8Very low197 Ų197150.2 Ų150.286%0.85780%0.798SS**PPolyproline II helixtrans-64.5134.6164.5-59.8173.9179.91790108.3
1155D29Very low29.6Very low155 Ų155147.6 Ų147.683%0.82979%0.792SS**  trans-177.7164.8139.7-88.9-25000109
1156S33.6Very low29.5Very low122 Ų122148.3 Ų148.385%0.85380%0.795SS**  trans66.6110.5-171.666.60000116.4
1157I26.6Very low29.4Very low152 Ų152150.4 Ų150.478%0.77980%0.801SS**  trans-98.9135.2165.5-63.9159.9000107.1
1158V33.8Very low29Very low137 Ų137153.7 Ų153.783%0.8381%0.806SS**  trans-148.1131154.8-172.80000108.5
1159D28Very low28.7Very low142 Ų142148 Ų14876%0.75980%0.799SS**  trans-82143.7178.6-54.3-81.5000113.2
1160V33.5Very low28.5Very low151 Ų151148.3 Ų148.392%0.91580%0.801SS**  trans-142143.8153-175.90000108
1161N28.8Very low28.4Very low130 Ų130144.6 Ų144.670%0.69580%0.795SS**  trans-99.3167.8-158.5-137.719.5000115.4
1162E26.9Very low28.1Very low145 Ų145144.9 Ų144.968%0.67880%0.798SS**  trans78.5117.7146.8-78.7157.6-172.200124
1163Q26.7Very low28.1Very low167 Ų167145 Ų14578%0.7880%0.796SS**  trans35.6116.1138.8-82.975.6-51.100121.6
1164S28.6Very low27.9Very low126 Ų126141.7 Ų141.788%0.88179%0.785SS**  -169146.2113.126.20000114.7
1165T26.8Very low28Very low119 Ų119138.1 Ų138.173%0.7378%0.775SS**  trans-54.3147.9-172.2460000120.5
1166D26.4Very low28Very low147 Ų147138.5 Ų138.579%0.78677%0.769SS**  trans46.8134.6139.3-56-48.4000121.1
1167E28.8Very low27.8Very low189 Ų189138.6 Ų138.688%0.88376%0.76SS**  cis-146.3167.945.8-72.4-169.4140.900114.6
1168Q25.4Very low28.2Very low168 Ų168136.9 Ų136.979%0.78575%0.751SS**  trans-127.1128179.2-87.9-85.4-11.100113.2N1170Q1168-N1170 PolarHBondContact O-N 3.05Å
1169P25.6Very low28.2Very low112 Ų112137.2 Ų137.273%0.72774%0.743SS**  trans-81.9103.9176.531.7-32.9000112.3V1171P1169-V1171 PolarHBondContact O-N 3.28Å
1170N23.4Very low28.4Very low157 Ų157139 Ų13984%0.8475%0.745SS**  trans-58.6130.9175.3-81.9-67.1000113.2Q1168Q1168-N1170 PolarHBondContact O-N 3.05Å
1171V26.9Very low28.2Very low128 Ų128138.3 Ų138.378%0.77674%0.735SS**  trans-127.9104.1167.7-179.70000110.2P1169 V1173P1169-V1171 PolarHBondContact O-N 3.28Å; V1171-V1173 PolarHBondContact O-N 2.65Å
1172T22.9Very low28.2Very low129 Ų129136.9 Ų136.979%0.79173%0.728SS**  trans-74.8101.6-170.6-38.40000112.9
1173V28.1Very low28.2Very low119 Ų119135.9 Ų135.972%0.72173%0.732SS**  trans-95.3121167.2-177.70000108.7V1171 N1175V1171-V1173 PolarHBondContact O-N 2.65Å; V1173-N1175 PolarHBondContact O-N 3.09Å
1174S27.5Very low28.3Very low83 Ų83133.9 Ų133.958%0.5873%0.733SS**  trans-62.6127-158.3-49.70000115.7K1176 L1177S1174-K1176 PolarHBondContact O-N 3.24Å; S1174-L1177 PolarHBondContact O-N 3.17Å
1175N30.1Very low28.1Very low123 Ų123136.9 Ų136.966%0.65873%0.73SS**G310 helixtrans-50.3-24.9177.1-60.8-6.1000114.5V1173 L1177 I1178 E1179V1173-N1175 PolarHBondContact O-N 3.09Å; N1175-L1177 PolarHBondContact O-N 2.96Å; N1175-I1178 PolarHBondContact O-N 3.39Å; N1175-E1179 PolarHBondContact O-N 3.21Å
1176K29.9Very low28.1Very low162 Ų162139.2 Ų139.270%0.70474%0.736SS**G310 helixtrans-53.5-16.7176.2-111.5175.9180171.70116.1S1174S1174-K1176 PolarHBondContact O-N 3.24Å
1177L30Very low28Very low124 Ų124138.2 Ų138.265%0.64974%0.736SS**G310 helixtrans-94.8-22.3173.5-79.8172.9000114.2S1174 N1175 L1181S1174-L1177 PolarHBondContact O-N 3.17Å; N1175-L1177 PolarHBondContact O-N 2.96Å; L1177-L1181 WeakPolarHBondContact O-CD1 3.45Å; L1177-L1181 WeakPolarHBondContact O-CG 3.28Å
1178I35.1Very low27.7Very low116 Ų116133.9 Ų133.960%0.59573%0.727SS**THydrogen-bonded Turntrans-79.5-35.1175.1-63.8174.4000109.9N1175 F1180 L1181 N1182N1175-I1178 PolarHBondContact O-N 3.39Å; I1178-F1180 VanDerWaalsContact C-N 3.33Å; I1178-L1181 PolarHBondContact O-N 2.69Å; I1178-N1182 PolarHBondContact O-ND2 3.29Å
1179E32.3Very low27.8Very low145 Ų145131.2 Ų131.268%0.67872%0.724SS**G310 helixtrans-62.8-35173.6-168.3170.9-136.400112.6N1175 L1181N1175-E1179 PolarHBondContact O-N 3.21Å; E1179-L1181 VanDerWaalsContact C-N 3.3Å; E1179-L1181 PolarHBondContact O-N 3.41Å
1180F32.8Very low27.7Very low179 Ų179132.3 Ų132.379%0.78573%0.728SS**G310 helixtrans-81.4-1.6179.6-129.7-81.4000114.7I1178I1178-F1180 VanDerWaalsContact C-N 3.33Å
1181L29.9Very low27.7Very low136 Ų136132.4 Ų132.471%0.71273%0.728SS**G310 helixtrans-120.22.5-172.9-71.3176.5000114.1L1177 I1178 E1179L1177-L1181 WeakPolarHBondContact O-CD1 3.45Å; L1177-L1181 WeakPolarHBondContact O-CG 3.28Å; I1178-L1181 PolarHBondContact O-N 2.69Å; E1179-L1181 VanDerWaalsContact C-N 3.3Å; E1179-L1181 PolarHBondContact O-N 3.41Å
1182N27.7Very low27.7Very low101 Ų101133 Ų13354%0.5473%0.726SS.*  trans-131.9156-175.5-73.8-68000112.6I1178I1178-N1182 PolarHBondContact O-ND2 3.29Å
1183T28.4Very low27.8Very low124 Ų124135.5 Ų135.576%0.76173%0.729SS**  trans75.3153172.976.10000116.4
1184P28.4Very low27.6Very low125 Ų125136 Ų13681%0.81273%0.727SS**  cis-76.5148.4-232.4-34.9000114
1185K24.7Very low27.7Very low189 Ų189140 Ų14082%0.82274%0.742SS**  trans-73.8149.7160.7-61.9174.2179.9176.70108.3
1186I26.4Very low27.5Very low167 Ų167140.8 Ų140.886%0.85675%0.745SS**  trans-107.4107.4157.7-65.9178.2000107
1187T23.7Very low27.3Very low127 Ų127140.9 Ų140.978%0.77975%0.748SS**  trans-65.8147.6155.810000108
1188S22.9Very low27Very low98 Ų98142.5 Ų142.569%0.68576%0.757SS**  cis-150169.812.749.50000110
1189P27Very low26.6Very low112 Ų112145 Ų14573%0.72777%0.77SS**  trans-70175.7166.132.2-37.3000112.4
1190T23.4Very low26.2Very low134 Ų134142.7 Ų142.782%0.82277%0.77SS**  trans90.6145.6172.6-42.20000116
1191L24.1Very low25.8Very low160 Ų160144.9 Ų144.984%0.83877%0.774SS**SBendtrans81.3129.6-178.5-65.8176000118.2
1192L25.5Very low25.6Very low141 Ų141146 Ų14674%0.73878%0.781SS**  trans63.450.8167.4-51.6-173.2000117.6D1194L1192-D1194 HydrophobicContact CD2-CB 4.42Å; L1192-D1194 PolarHBondContact O-N 2.91Å; L1192-D1194 VanDerWaalsContact O-N 3.12Å
1193Q26.2Very low25.6Very low181 Ų181145.8 Ų145.885%0.84679%0.788SS**  -62.385.3125.2177.8175.5-0.400108.5
1194D24Very low25.5Very low128 Ų128148 Ų14868%0.68480%0.795SS**  trans-169.992.7166.7-101.2-27.5000110.2L1192L1192-D1194 HydrophobicContact CD2-CB 4.42Å; L1192-D1194 PolarHBondContact O-N 2.91Å; L1192-D1194 VanDerWaalsContact O-N 3.12Å
1195N28.7Very low25.6Very low168 Ų168146.8 Ų146.890%0.89879%0.789SS**  trans169.675.3153.6-92.7-46.2000108.4
1196I27.1Very low25.6Very low139 Ų139142.9 Ų142.971%0.71379%0.786SS**  trans-88.3149.9174.4-73.6172000109.2
1197H24.6Very low25.6Very low165 Ų165140.4 Ų140.476%0.76478%0.778SS**  trans84142.7178.9-64.5-12.3000118.1
1198N24.4Very low25.8Very low158 Ų158144.3 Ų144.385%0.84579%0.785SS**  trans68.2143.1-177.1-47.9-39.5000113.2
1199I26.3Very low26Very low167 Ų167146.2 Ų146.286%0.85678%0.783SS**  cis-124.8158.212.2-67170.7000111
1200S23.4Very low25.9Very low97 Ų97146.6 Ų146.668%0.67878%0.783SS**  trans-68.4178.8177.4-176.70000114.1
1201Y25.5Very low26.2Very low225 Ų225145.8 Ų145.888%0.88278%0.778SS**  trans-36.4134.1161.7-66.1-103.9000113.2
1202D25.8Very low26.5Very low159 Ų159149.2 Ų149.285%0.8578%0.782SS**  -149.2177.1128.5-139.4-29.4000112.2
1203S27.9Very low26.5Very low98 Ų98149.4 Ų149.469%0.68578%0.776SS**  trans-122.1116.6-178.4-52.10000110.7
1204D25.7Very low26.6Very low171 Ų171148.6 Ų148.691%0.91478%0.778SS**  trans-164.3-162.4131-118.3-26.3000114.2
1205S29.6Very low26.8Very low99 Ų99152 Ų15269%0.69279%0.787SS**  trans-105.4173.9-168.282.70000114.7
1206S25.5Very low26.6Very low107 Ų107152.8 Ų152.875%0.74879%0.785SS**  trans91179.7178.787.80000115.7
1207T26.8Very low26.5Very low114 Ų114151.2 Ų151.270%0.69979%0.786SS**  trans59.757.2-179.3-45.40000117.1
1208F27.2Very low26.6Very low210 Ų210148.3 Ų148.392%0.92179%0.785SS**SBendtrans-143.241.5146.5-146.8-92.2000111.9
1209E26.9Very low26.5Very low138 Ų138150.1 Ų150.165%0.64579%0.785SS**  trans-13231.8-177.6-150.9-176.5151.200112.6K1213E1209-K1213 VanDerWaalsContact OE1-CE 3.22Å; E1209-K1213 WeakPolarHBondContact OE1-CE 3.28Å; E1209-K1213 IonicContact OE1-NZ 2.73Å; E1209-K1213 PolarHBondContact OE1-NZ 2.96Å
1210T26Very low26.4Very low119 Ų119147 Ų14773%0.7378%0.776SS**  trans-122.916.4-171.8390000114.5
1211V28.9Very low26.4Very low118 Ų118148.6 Ų148.672%0.71578%0.781SS**SBendtrans-130.1141.3163.5-164.30000108.3
1212Y29.7Very low26.3Very low231 Ų231146.4 Ų146.491%0.90678%0.776SS**SBendtrans66.442.1-175.7-62.3-75.7000117.5
1213K27.4Very low26.3Very low145 Ų145144.9 Ų144.963%0.6377%0.772SS**  trans-115.597.4145.1-75.3179-173.8163.90109.8E1209E1209-K1213 VanDerWaalsContact OE1-CE 3.22Å; E1209-K1213 WeakPolarHBondContact OE1-CE 3.28Å; E1209-K1213 IonicContact OE1-NZ 2.73Å; E1209-K1213 PolarHBondContact OE1-NZ 2.96Å
1214N26.5Very low26.1Very low165 Ų165147.8 Ų147.888%0.88277%0.773SS**  trans-170.9154.1157.2-102.9-36000110.7
1215K29.3Very low26Very low199 Ų199147.7 Ų147.787%0.86577%0.767SS**  trans67.566.8-176.4-57.6-175179.4-179.90115.8
1216E23.7Very low25.8Very low185 Ų185152.9 Ų152.986%0.86477%0.771SS**  trans-79.8117.5142.7-68.3-167.5139.900108.9
1217S26Very low25.7Very low105 Ų105154.5 Ų154.573%0.73477%0.772SS**  trans-159.1144.1161.5550000112.5
1218S26.1Very low25.4Very low105 Ų105154.5 Ų154.573%0.73478%0.775SS**  trans44.5110.1167.753.70000120.1
1219F22.4Very low25.2Very low196 Ų196151.6 Ų151.686%0.8677%0.769SS**  trans-62.1146140.3-81.5-94.9000109.3
1220P24.2Very low25Very low100 Ų100152.5 Ų152.565%0.64978%0.777SS**  -138.2131.3119.134.9-24.1000113.5K1222P1220-K1222 PolarHBondContact O-N 3.49Å
1221V23.5Very low24.9Very low132 Ų132158 Ų15880%0.879%0.785SS**  trans-73.5104.2159.2176.80000107.8
1222K24Very low24.6Very low179 Ų179157 Ų15778%0.77878%0.783SS**  trans-130.3109.5166.8-84.4-174.9175.2173.80110.9P1220 K1224P1220-K1222 PolarHBondContact O-N 3.49Å; K1222-K1224 PolarHBondContact O-N 3.38Å
1223V24.4Very low24.4Very low126 Ų126150.6 Ų150.676%0.76477%0.772SS**  trans-63.9125164.6175.70000108.3
1224K24.4Very low24.4Very low159 Ų159150.7 Ų150.769%0.69177%0.774SS**  trans-133.688.7160.1-86.2-172.3174.8177.10109.2K1222 R1226K1222-K1224 PolarHBondContact O-N 3.38Å; K1224-R1226 PolarHBondContact O-N 2.87Å
1225Q24.5Very low24.4Very low169 Ų169148 Ų14879%0.7976%0.76SS**  trans-63.2126.4144.8-72.9175.9-63.100107
1226R23.5Very low24.3Very low208 Ų208145.7 Ų145.779%0.78575%0.752SS**  trans-131.7114.7154.5-79.5-169.3166.7173.2-8.3107.3K1224K1224-R1226 PolarHBondContact O-N 2.87Å
1227N24.3Very low24.3Very low142 Ų142140 Ų14076%0.75973%0.732SS**  trans-73.1-176.1167.2-63.5-16.9000109.4
1228C21.6Very low24.2Very low113 Ų113141 Ų14176%0.76473%0.729SS**  trans91.6137.8170.9100.20000115.4
1229N22.4Very low24.3Very low150 Ų150140.7 Ų140.780%0.80272%0.722SS**  cis-155.2175.4-14.4-119.7-1.1000113.2
1230L23Very low24.5Very low156 Ų156135.2 Ų135.282%0.81771%0.705SS**  trans-60.7144.5-178.6-77.359.3000114.6
1231R23.5Very low24.7Very low235 Ų235136.9 Ų136.989%0.88771%0.707SS**  trans-166.2129131.5-101.3160.1-169-122.31.6106.6
1232S23.1Very low24.8Very low98 Ų98137.2 Ų137.269%0.68570%0.7SS**  cis49.890.348.976.80000110.3
1233S25.1Very low24.8Very low95 Ų95134.1 Ų134.166%0.66469%0.692SS**  -168.4172.262.8-90.90000109.4
1234E26.6Very low24.7Very low147 Ų147134.9 Ų134.969%0.68769%0.692SS**  cis-161.51680.4-118.3152.8-12000110
1235N26.1Very low24.8Very low110 Ų110134.7 Ų134.759%0.58869%0.694SS**  trans42.5136.7143.1-54.1-17.4000121.6
1236H27.1Very low25.2Very low150 Ų150134.4 Ų134.469%0.69470%0.698SS**  cis-156.8133.1-14.7-84.5-49.1000105.3
1237S24.7Very low25.3Very low64 Ų64129.4 Ų129.445%0.44869%0.692SS.*  168.912879.5410000107.3R575R575-S1237 PolarHBondContact NH1-OG 3.33Å; R575-S1237 PolarHBondContact NH2-O 3.26Å
1238L24.4Very low25.2Very low126 Ų126128.1 Ų128.166%0.6669%0.694SS**  55.8142.297.7-79.585.1000115.4R575R575-L1238 PolarHBondContact NH1-O 3.12Å; R575-L1238 PolarHBondContact NH2-O 2.66Å
1239V28.3Very low25.4Very low99 Ų99132 Ų13260%0.670%0.698SS**  cis-161.9160.9-10117.50000107.1
1240T26.4Very low25.4Very low81 Ų81130 Ų13050%0.49769%0.693SS.*  cis162.1136.2-32.6-84.90000107.4E1242T1240-E1242 HydrophobicContact CG2-CG 3.78Å
1241I28Very low25.6Very low135 Ų135131.8 Ų131.869%0.69270%0.695SS**  trans-164.4107.8145.9-89.6138.1000105
1242E24.2Very low25.6Very low140 Ų140126.7 Ų126.765%0.65469%0.685SS**  100.5114.350.7-89-165.1-12800114.2T1240T1240-E1242 HydrophobicContact CG2-CG 3.78Å
1243N24Very low25.7Very low114 Ų114130.5 Ų130.561%0.6169%0.69SS**  73.9105.5127.9-69-23.1000121.7
1244N23.5Very low25.8Very low141 Ų141131.9 Ų131.975%0.75469%0.689SS**  100.9144.9121.1-70.7-31.5000121.1
1245Q26.7Very low25.8Very low156 Ų156133.5 Ų133.573%0.72970%0.697SS**  trans77.4122.5167.9-45.9-159.250.800117.7
1246N32.6Very low25.9Very low163 Ų163138.5 Ų138.587%0.87271%0.707SS**  trans-56.7143.1161.3-61-73.6000109.9
1247P25.1Very low26.1Very low103 Ų103141 Ų14167%0.66972%0.716SS**  -137.6147.1119.236.2-25.8000114.8F1249P1247-F1249 PolarHBondContact O-N 2.72Å; P1247-F1249 VanDerWaalsContact O-N 3.17Å
1248S23.5Very low26.5Very low115 Ų115142.9 Ų142.980%0.80473%0.729SS**  trans-40.9110.7162.8-46.20000112.9P1250S1248-P1250 WeakPolarHBondContact O-CD 3.38Å
1249F24.3Very low26.9Very low195 Ų195143.3 Ų143.386%0.85573%0.731SS**  trans-61.1120.6172.8-86.5-82.1000110.4P1247 F1251P1247-F1249 PolarHBondContact O-N 2.72Å; P1247-F1249 VanDerWaalsContact O-N 3.17Å; F1249-F1251 PolarHBondContact O-N 2.91Å
1250P23.9Very low27.2Very low106 Ų106143.1 Ų143.169%0.68873%0.725SS**  trans-76.6126.7-170.928.9-34000111.4S1248 N1252S1248-P1250 WeakPolarHBondContact O-CD 3.38Å; P1250-N1252 PolarHBondContact O-N 2.9Å
1251F25.6Very low28Very low195 Ų195146.5 Ų146.586%0.85573%0.729SS**  trans-73.658.4170.9-108.5-85000111.4F1249 F1253F1249-F1251 PolarHBondContact O-N 2.91Å; F1251-F1253 HydrophobicContact CD1-CD2 4.19Å; F1251-F1253 HydrophobicContact CD1-CE2 4.25Å; F1251-F1253 HydrophobicContact CE1-CE2 4.4Å; F1251-F1253 PolarHBondContact O-N 3.27Å; F1251-F1253 VanDerWaalsContact O-N 3.11Å
1252N23.9Very low28.8Very low127 Ų127144.8 Ų144.868%0.67973%0.727SS**  trans-81.793.7-176.6-157.8-10000110.7P1250 N1254P1250-N1252 PolarHBondContact O-N 2.9Å; N1252-N1254 PolarHBondContact O-N 2.87Å
1253F26.5Very low30.3Very low179 Ų179141.2 Ų141.279%0.78571%0.712SS**  trans-79.951.2-170-126.7-80.4000113.3F1251F1251-F1253 HydrophobicContact CD1-CD2 4.19Å; F1251-F1253 HydrophobicContact CD1-CE2 4.25Å; F1251-F1253 HydrophobicContact CE1-CE2 4.4Å; F1251-F1253 PolarHBondContact O-N 3.27Å; F1251-F1253 VanDerWaalsContact O-N 3.11Å
1254N26.2Very low32.4Very low123 Ų123137.7 Ų137.766%0.65869%0.693SS**  trans-145.4151.3175.4-85.3-54.3000112.3N1252N1252-N1254 PolarHBondContact O-N 2.87Å
1255H26.5Very low34.9Very low182 Ų182136 Ų13684%0.84368%0.681SS**  trans60.9106.5-173.2-46.5-86.9000113.9
1256R29Very low37.2Very low214 Ų214132.3 Ų132.381%0.80867%0.666SS**  -160.1150.877.1-91.5178.1175.5-176.9-2.1112.5
1257K31.5Very low39.7Very low203 Ų203125.2 Ų125.288%0.88363%0.628SS**SBendtrans-76.7152.8154.9-62.6173.7179.9176.20108.3
1258S33.4Very low42.3Very low103 Ų103124.1 Ų124.172%0.7261%0.614SS**SBendtrans6153.1163-161.20000117.9
1259L31.8Very low45Very low135 Ų135122.8 Ų122.871%0.70760%0.597SS**  trans-136.7136.9156.8-139.774.8000109.2
1260M35.2Very low48.1Very low96 Ų96114.1 Ų114.147%0.47356%0.559SS.*  trans-74.4155.3-179.6-63.1-135.672.500111.6D1264 Q1268M1260-D1264 HydrophobicContact CE-CB 3.82Å; M1260-Q1268 PolarHBondContact SD-NE2 2.66Å
1261R42Very low51Low151 Ų151115 Ų11557%0.5755%0.549SS*.  trans-78148.8168.9-56.1-177.4-174.5173.56.7109.8D1263 D1264R1261-D1263 VanDerWaalsContact C-N 3.27Å; R1261-D1263 PolarHBondContact O-N 3.47Å; R1261-D1264 WeakPolarHBondContact CB-OD2 3.07Å; R1261-D1264 PolarHBondContact O-N 3.21Å
1262P45.3Very low53.7Low100 Ų100113.3 Ų113.365%0.64954%0.541SS*.Hα-helixtrans-51.3-43.7174.8-28.536.3000113.4D1264 H1265 N1266P1262-D1264 PolarHBondContact O-N 3.34Å; P1262-D1264 VanDerWaalsContact O-N 3.14Å; P1262-H1265 PolarHBondContact O-N 3.18Å; P1262-N1266 PolarHBondContact O-N 3.25Å
1263D56.4Low56.7Low64 Ų64112.9 Ų112.934%0.34254%0.535SS..Hα-helixtrans-55-34.2178.2-29.4-13.7000113.4R1261 I1267 R1335R1261-D1263 VanDerWaalsContact C-N 3.27Å; R1261-D1263 PolarHBondContact O-N 3.47Å; D1263-I1267 PolarHBondContact O-N 3.02Å; D1263-R1335 IonicContact OD2-CZ 2.72Å; D1263-R1335 IonicContact OD2-NH1 2.82Å; D1263-R1335 IonicContact OD2-NH2 2.71Å; D1263-R1335 PolarHBondContact OD2-NH2 3.22Å
1264D66.7Low59.5Low41 Ų41104.5 Ų104.522%0.21950%0.498CS..Hα-helixtrans-79.9-25.8-171.6-57.3-27.8000111M1260 R1261 P1262 Q1268 R1335M1260-D1264 HydrophobicContact CE-CB 3.82Å; R1261-D1264 WeakPolarHBondContact CB-OD2 3.07Å; R1261-D1264 PolarHBondContact O-N 3.21Å; P1262-D1264 PolarHBondContact O-N 3.34Å; P1262-D1264 VanDerWaalsContact O-N 3.14Å; D1264-Q1268 VanDerWaalsContact O-CG 3.29Å; D1264-Q1268 WeakPolarHBondContact O-CG 3.5Å; D1264-Q1268 PolarHBondContact O-N 2.95Å; D1264-Q1268 VanDerWaalsContact O-N 3.17Å; D1264-Q1268 PolarHBondContact O-NE2 3.41Å; D1264-R1335 IonicContact OD1-CZ 2.64Å; D1264-R1335 IonicContact OD1-NH1 2.63Å; D1264-R1335 PolarHBondContact OD1-NH1 3.29Å
1265H76.9Confident62Low105 Ų105102.6 Ų102.649%0.48649%0.494SS..Hα-helixtrans-69.1-45.5170-176.472.4000110.9P1262 I1267 Q1268 L1269P1262-H1265 PolarHBondContact O-N 3.18Å; H1265-I1267 VanDerWaalsContact C-N 3.26Å; H1265-I1267 PolarHBondContact O-N 2.73Å; H1265-Q1268 WeakPolarHBondContact O-CA 2.91Å; H1265-Q1268 WeakPolarHBondContact O-CB 3.15Å; H1265-Q1268 PolarHBondContact O-N 3.11Å; H1265-L1269 PolarHBondContact O-N 3.31Å
1266N74.7Confident64.4Low79 Ų7998.6 Ų98.642%0.42249%0.486SS..Hα-helixtrans-58.2-38.5176.6-66.7-13000112P1262 Y1270 L1332P1262-N1266 PolarHBondContact O-N 3.25Å; N1266-Y1270 WeakPolarHBondContact O-CB 3.47Å; N1266-Y1270 PolarHBondContact O-N 3.18Å; N1266-L1332 HydrophobicContact CB-CD1 4.3Å
1267I85.6Confident66.9Low14 Ų1490.6 Ų90.67%0.07246%0.459CS..Hα-helixtrans-73.1-26.3175.3-67.4-63000113D1263 H1265 R1271 L1332 R1335 Q1336 V1339D1263-I1267 PolarHBondContact O-N 3.02Å; H1265-I1267 VanDerWaalsContact C-N 3.26Å; H1265-I1267 PolarHBondContact O-N 2.73Å; I1267-R1271 VanDerWaalsContact O-CG 3.31Å; I1267-R1271 WeakPolarHBondContact O-CG 3.31Å; I1267-R1271 PolarHBondContact O-N 3.14Å; I1267-L1332 HydrophobicContact CD1-CD1 3.9Å; I1267-L1332 HydrophobicContact CG1-CD1 4.08Å; I1267-R1335 HydrophobicContact CD1-CB 3.53Å; I1267-R1335 HydrophobicContact CG1-CB 3.97Å; I1267-Q1336 HydrophobicContact CD1-CG 3.87Å; I1267-V1339 HydrophobicContact CG2-CG2 4.15Å
1268Q79.2Confident69.2Low80 Ų8083.2 Ų83.237%0.37443%0.433SS..Hα-helixtrans-74.8-40.9172-73.7167.945.400112.3M1260 D1264 H1265 Y1270 R1271 K1272M1260-Q1268 PolarHBondContact SD-NE2 2.66Å; D1264-Q1268 VanDerWaalsContact O-CG 3.29Å; D1264-Q1268 WeakPolarHBondContact O-CG 3.5Å; D1264-Q1268 PolarHBondContact O-N 2.95Å; D1264-Q1268 VanDerWaalsContact O-N 3.17Å; D1264-Q1268 PolarHBondContact O-NE2 3.41Å; H1265-Q1268 WeakPolarHBondContact O-CA 2.91Å; H1265-Q1268 WeakPolarHBondContact O-CB 3.15Å; H1265-Q1268 PolarHBondContact O-N 3.11Å; Q1268-Y1270 VanDerWaalsContact C-N 3.35Å; Q1268-R1271 PolarHBondContact O-N 2.69Å; Q1268-K1272 PolarHBondContact O-N 3.38Å
1269L81.5Confident71.4Confident87 Ų8780.8 Ų80.846%0.45542%0.415SS..Hα-helixtrans-60-46.5171-68.4176.6000110.9H1265 R1271 K1272 Q1273H1265-L1269 PolarHBondContact O-N 3.31Å; L1269-R1271 VanDerWaalsContact C-N 3.33Å; L1269-R1271 PolarHBondContact O-N 3.15Å; L1269-K1272 WeakPolarHBondContact O-CB 3.17Å; L1269-K1272 PolarHBondContact O-N 2.83Å; L1269-K1272 VanDerWaalsContact O-N 3.08Å; L1269-Q1273 PolarHBondContact O-N 3.16Å
1270Y87.9Confident73.5Confident12 Ų1277.8 Ų77.85%0.04740%0.398CS..Hα-helixtrans-61.9-38177.4-168.3-114.1000112.7N1266 Q1268 Q1273 L1274 E1285 V1289 Q1336 V1340N1266-Y1270 WeakPolarHBondContact O-CB 3.47Å; N1266-Y1270 PolarHBondContact O-N 3.18Å; Q1268-Y1270 VanDerWaalsContact C-N 3.35Å; Y1270-Q1273 PolarHBondContact O-N 2.96Å; Y1270-L1274 HydrophobicContact CD1-CD1 3.84Å; Y1270-L1274 HydrophobicContact CD1-CG 4.38Å; Y1270-L1274 HydrophobicContact CE1-CD1 3.61Å; Y1270-L1274 HydrophobicContact CE1-CD2 4.4Å; Y1270-L1274 HydrophobicContact CE1-CG 4.17Å; Y1270-L1274 WeakPolarHBondContact O-CG 3.44Å; Y1270-L1274 PolarHBondContact O-N 2.74Å; Y1270-E1285 WeakPolarHBondContact CE2-OE1 3.26Å; Y1270-E1285 WeakPolarHBondContact OH-CG 3.49Å; Y1270-E1285 PolarHBondContact OH-OE1 2.83Å; Y1270-V1289 WeakPolarHBondContact OH-CG2 3.39Å; Y1270-Q1336 HydrophobicContact CD1-CB 3.98Å; Y1270-Q1336 HydrophobicContact CD1-CG 3.69Å; Y1270-Q1336 HydrophobicContact CE1-CB 3.49Å; Y1270-Q1336 VanDerWaalsContact CE1-CB 3.49Å; Y1270-Q1336 HydrophobicContact CE1-CG 3.67Å; Y1270-Q1336 HydrophobicContact CG-CG 4.12Å; Y1270-V1340 HydrophobicContact CE1-CG2 3.92Å; Y1270-V1340 WeakPolarHBondContact OH-CG2 3.45Å
1271R86.2Confident75.7Confident125 Ų12577.6 Ų77.647%0.47240%0.396SS..Hα-helixtrans-61.1-42.5170.8-79.4169.7174.9168.6-2.8112.9I1267 Q1268 L1269 Q1273 L1274 C1275 V1339 Y1343I1267-R1271 VanDerWaalsContact O-CG 3.31Å; I1267-R1271 WeakPolarHBondContact O-CG 3.31Å; I1267-R1271 PolarHBondContact O-N 3.14Å; Q1268-R1271 PolarHBondContact O-N 2.69Å; L1269-R1271 VanDerWaalsContact C-N 3.33Å; L1269-R1271 PolarHBondContact O-N 3.15Å; R1271-Q1273 VanDerWaalsContact C-N 3.32Å; R1271-Q1273 PolarHBondContact O-N 3.03Å; R1271-L1274 PolarHBondContact O-N 3.49Å; R1271-C1275 PolarHBondContact O-N 3.08Å; R1271-C1275 VanDerWaalsContact O-N 3.13Å; R1271-C1275 PolarHBondContact O-SG 3.05Å; R1271-V1339 HydrophobicContact CG-CG1 3.73Å; R1271-Y1343 PolarHBondContact O-OH 2.93Å
1272K82.4Confident77.8Confident160 Ų16071 Ų7170%0.69637%0.372SS*.Hα-helixtrans-60.8-42.2174.9-72.1-173.7174.6-1700111.4Q1268 L1269 C1275Q1268-K1272 PolarHBondContact O-N 3.38Å; L1269-K1272 WeakPolarHBondContact O-CB 3.17Å; L1269-K1272 PolarHBondContact O-N 2.83Å; L1269-K1272 VanDerWaalsContact O-N 3.08Å; K1272-C1275 WeakPolarHBondContact O-CB 3.43Å; K1272-C1275 PolarHBondContact O-N 3.17Å
1273Q86.3Confident79.5Confident117 Ų11770.4 Ų70.455%0.54736%0.357SS..Hα-helixtrans-64-38.6177.1-171.9179.36.800112.7L1269 Y1270 R1271 C1275 S1276L1269-Q1273 PolarHBondContact O-N 3.16Å; Y1270-Q1273 PolarHBondContact O-N 2.96Å; R1271-Q1273 VanDerWaalsContact C-N 3.32Å; R1271-Q1273 PolarHBondContact O-N 3.03Å; Q1273-C1275 VanDerWaalsContact C-N 3.33Å; Q1273-C1275 PolarHBondContact O-N 3.2Å; Q1273-S1276 PolarHBondContact O-OG 3.45Å; Q1273-S1276 VanDerWaalsContact O-OG 3.08Å
1274L85.7Confident80.7Confident3 Ų370.8 Ų70.82%0.01636%0.359CS..Hα-helixtrans-71.8-24176.8-66.4172.9000113.4Y1270 R1271 S1276 L1277 L1282 E1285 V1339 V1340 Y1343Y1270-L1274 HydrophobicContact CD1-CD1 3.84Å; Y1270-L1274 HydrophobicContact CD1-CG 4.38Å; Y1270-L1274 HydrophobicContact CE1-CD1 3.61Å; Y1270-L1274 HydrophobicContact CE1-CD2 4.4Å; Y1270-L1274 HydrophobicContact CE1-CG 4.17Å; Y1270-L1274 WeakPolarHBondContact O-CG 3.44Å; Y1270-L1274 PolarHBondContact O-N 2.74Å; R1271-L1274 PolarHBondContact O-N 3.49Å; L1274-S1276 PolarHBondContact O-N 3.36Å; L1274-L1277 HydrophobicContact CD2-CD1 3.86Å; L1274-L1277 PolarHBondContact O-N 3.02Å; L1274-L1282 HydrophobicContact CB-CD2 4.29Å; L1274-L1282 HydrophobicContact CD2-CD2 3.87Å; L1274-E1285 HydrophobicContact CD2-CG 4.14Å; L1274-V1339 HydrophobicContact CD1-CB 4.3Å; L1274-V1339 HydrophobicContact CD1-CG1 3.51Å; L1274-V1340 HydrophobicContact CD1-CG2 3.92Å; L1274-V1340 HydrophobicContact CD2-CG2 4Å; L1274-Y1343 HydrophobicContact CB-CD2 4.3Å; L1274-Y1343 HydrophobicContact CB-CE1 4.39Å; L1274-Y1343 HydrophobicContact CB-CE2 4.07Å; L1274-Y1343 HydrophobicContact CD1-CD2 4.05Å; L1274-Y1343 HydrophobicContact CD1-CE2 4.06Å
1275C77.3Confident81.7Confident84 Ų8470.1 Ų70.157%0.56836%0.355SS*.THydrogen-bonded Turntrans-68.7-12.8177.1-80.30000114.4R1271 K1272 Q1273 Y1343R1271-C1275 PolarHBondContact O-N 3.08Å; R1271-C1275 VanDerWaalsContact O-N 3.13Å; R1271-C1275 PolarHBondContact O-SG 3.05Å; K1272-C1275 WeakPolarHBondContact O-CB 3.43Å; K1272-C1275 PolarHBondContact O-N 3.17Å; Q1273-C1275 VanDerWaalsContact C-N 3.33Å; Q1273-C1275 PolarHBondContact O-N 3.2Å; C1275-Y1343 PolarHBondContact SG-OH 2.96Å
1276S76.9Confident82.3Confident97 Ų9768.3 Ų68.368%0.67835%0.346SS*.THydrogen-bonded Turntrans-109.29.7179.557.70000113.9Q1273 L1274Q1273-S1276 PolarHBondContact O-OG 3.45Å; Q1273-S1276 VanDerWaalsContact O-OG 3.08Å; L1274-S1276 PolarHBondContact O-N 3.36Å
1277L81.5Confident82.8Confident47 Ų4771.4 Ų71.425%0.24636%0.355CS..  trans-97.9142.9-179.6-62.8-174.1000112.1L1274 E1281 L1282 E1285L1274-L1277 HydrophobicContact CD2-CD1 3.86Å; L1274-L1277 PolarHBondContact O-N 3.02Å; L1277-E1281 HydrophobicContact CB-CB 3.9Å; L1277-E1281 HydrophobicContact CD1-CB 4.38Å; L1277-E1281 HydrophobicContact CD2-CB 4.13Å; L1277-E1281 HydrophobicContact CG-CB 4.35Å; L1277-L1282 HydrophobicContact CB-CD2 4.12Å; L1277-L1282 HydrophobicContact CB-CG 4.01Å; L1277-L1282 HydrophobicContact CD1-CD2 4.23Å; L1277-E1285 HydrophobicContact CD1-CB 4.38Å
1278S80.6Confident82.9Confident48 Ų4874.3 Ų74.334%0.33637%0.371SS..  trans-67.2164.816967.20000112.6M1280 E1281 L1282S1278-M1280 VanDerWaalsContact C-N 3.26Å; S1278-M1280 PolarHBondContact O-N 3.32Å; S1278-E1281 WeakPolarHBondContact CB-OE2 3.42Å; S1278-E1281 PolarHBondContact N-OE2 3.28Å; S1278-E1281 PolarHBondContact O-N 3.48Å; S1278-E1281 WeakPolarHBondContact OG-CB 3.47Å; S1278-E1281 VanDerWaalsContact OG-CG 3.28Å; S1278-E1281 WeakPolarHBondContact OG-CG 3.4Å; S1278-E1281 PolarHBondContact OG-N 2.91Å; S1278-E1281 PolarHBondContact OG-OE2 3.15Å; S1278-L1282 WeakPolarHBondContact O-CG 3.44Å; S1278-L1282 PolarHBondContact O-N 3.07Å
1279P79.4Confident83.3Confident51 Ų5170.6 Ų70.633%0.33135%0.353SS..Hα-helixtrans-53.7-39.4175.7-27.636000114.2Y1283 L1347 I1355P1279-Y1283 PolarHBondContact O-N 3.48Å; P1279-L1347 HydrophobicContact CB-CD2 3.51Å; P1279-L1347 HydrophobicContact CG-CD2 3.67Å; P1279-I1355 HydrophobicContact CB-CD1 3.77Å; P1279-I1355 HydrophobicContact CB-CG1 4.4Å
1280M75.1Confident83.6Confident73 Ų7369.8 Ų69.836%0.3635%0.349SS..Hα-helixtrans-74.8-37.1179.2-17453.4138.300112.2S1278 L1282 Y1283 N1284S1278-M1280 VanDerWaalsContact C-N 3.26Å; S1278-M1280 PolarHBondContact O-N 3.32Å; M1280-L1282 VanDerWaalsContact C-N 3.35Å; M1280-Y1283 WeakPolarHBondContact O-CB 3.49Å; M1280-Y1283 PolarHBondContact O-N 3.41Å; M1280-Y1283 HydrophobicContact SD-CD1 4.34Å; M1280-N1284 PolarHBondContact O-N 3.27Å; M1280-N1284 PolarHBondContact O-ND2 3.11Å
1281E82.9Confident83.6Confident92 Ų9274.2 Ų74.243%0.4337%0.373SS..Hα-helixtrans-66.2-35.1172.3-72.3166.8115.300112.4L1277 S1278 Y1283 N1284 E1285L1277-E1281 HydrophobicContact CB-CB 3.9Å; L1277-E1281 HydrophobicContact CD1-CB 4.38Å; L1277-E1281 HydrophobicContact CD2-CB 4.13Å; L1277-E1281 HydrophobicContact CG-CB 4.35Å; S1278-E1281 WeakPolarHBondContact CB-OE2 3.42Å; S1278-E1281 PolarHBondContact N-OE2 3.28Å; S1278-E1281 PolarHBondContact O-N 3.48Å; S1278-E1281 WeakPolarHBondContact OG-CB 3.47Å; S1278-E1281 VanDerWaalsContact OG-CG 3.28Å; S1278-E1281 WeakPolarHBondContact OG-CG 3.4Å; S1278-E1281 PolarHBondContact OG-N 2.91Å; S1278-E1281 PolarHBondContact OG-OE2 3.15Å; E1281-Y1283 VanDerWaalsContact C-N 3.31Å; E1281-Y1283 PolarHBondContact O-N 2.85Å; E1281-N1284 PolarHBondContact O-N 3.39Å; E1281-E1285 WeakPolarHBondContact O-CB 3.32Å; E1281-E1285 PolarHBondContact O-N 3.11Å
1282L85.5Confident83.7Confident11 Ų1173 Ų736%0.05837%0.371CS..Hα-helixtrans-63.9-35.5171.6-72.1169.3000112.2L1274 L1277 S1278 M1280 K1286 L1344 L1347L1274-L1282 HydrophobicContact CB-CD2 4.29Å; L1274-L1282 HydrophobicContact CD2-CD2 3.87Å; L1277-L1282 HydrophobicContact CB-CD2 4.12Å; L1277-L1282 HydrophobicContact CB-CG 4.01Å; L1277-L1282 HydrophobicContact CD1-CD2 4.23Å; S1278-L1282 WeakPolarHBondContact O-CG 3.44Å; S1278-L1282 PolarHBondContact O-N 3.07Å; M1280-L1282 VanDerWaalsContact C-N 3.35Å; L1282-K1286 PolarHBondContact O-N 3.13Å; L1282-K1286 VanDerWaalsContact O-N 3.07Å; L1282-L1344 HydrophobicContact CB-CD2 3.89Å; L1282-L1344 HydrophobicContact CB-CG 4.45Å; L1282-L1347 HydrophobicContact CD1-CD1 4.4Å
1283Y80.2Confident84.2Confident89 Ų8968.1 Ų68.135%0.34935%0.35SS..Hα-helixtrans-69.3-43.6173.1-175.5-101.7000112P1279 M1280 E1281 K1286 K1287 I1359P1279-Y1283 PolarHBondContact O-N 3.48Å; M1280-Y1283 WeakPolarHBondContact O-CB 3.49Å; M1280-Y1283 PolarHBondContact O-N 3.41Å; M1280-Y1283 HydrophobicContact SD-CD1 4.34Å; E1281-Y1283 VanDerWaalsContact C-N 3.31Å; E1281-Y1283 PolarHBondContact O-N 2.85Å; Y1283-K1286 WeakPolarHBondContact O-CB 3.11Å; Y1283-K1286 PolarHBondContact O-N 2.91Å; Y1283-K1287 PolarHBondContact O-N 3.33Å; Y1283-K1287 VanDerWaalsContact O-N 3.07Å; Y1283-I1359 HydrophobicContact CD1-CD1 4.14Å; Y1283-I1359 HydrophobicContact CE1-CD1 3.59Å; Y1283-I1359 HydrophobicContact CE2-CD1 4.21Å
1284N82.3Confident84.4Confident71 Ų7167.8 Ų67.838%0.3835%0.349SS..Hα-helixtrans-65-40.1175.5-74.5-34.5000112.3M1280 E1281 K1286 K1287 N1288M1280-N1284 PolarHBondContact O-N 3.27Å; M1280-N1284 PolarHBondContact O-ND2 3.11Å; E1281-N1284 PolarHBondContact O-N 3.39Å; N1284-K1286 VanDerWaalsContact C-N 3.33Å; N1284-K1286 PolarHBondContact O-N 3.17Å; N1284-K1287 WeakPolarHBondContact O-CA 3.45Å; N1284-K1287 VanDerWaalsContact O-CB 3.29Å; N1284-K1287 WeakPolarHBondContact O-CB 3.37Å; N1284-K1287 PolarHBondContact O-N 2.93Å; N1284-K1287 VanDerWaalsContact O-N 3.08Å; N1284-N1288 VanDerWaalsContact O-CG 3.27Å; N1284-N1288 PolarHBondContact O-N 3.46Å; N1284-N1288 PolarHBondContact O-ND2 3.26Å
1285E88.1Confident84.6Confident27 Ų2771.9 Ų71.913%0.12637%0.369CS..Hα-helixtrans-69.1-31.3175.5-179.756.9-172.900111.9Y1270 L1274 L1277 E1281 K1287 N1288 V1289 V1340Y1270-E1285 WeakPolarHBondContact CE2-OE1 3.26Å; Y1270-E1285 WeakPolarHBondContact OH-CG 3.49Å; Y1270-E1285 PolarHBondContact OH-OE1 2.83Å; L1274-E1285 HydrophobicContact CD2-CG 4.14Å; L1277-E1285 HydrophobicContact CD1-CB 4.38Å; E1281-E1285 WeakPolarHBondContact O-CB 3.32Å; E1281-E1285 PolarHBondContact O-N 3.11Å; E1285-K1287 VanDerWaalsContact C-N 3.34Å; E1285-K1287 PolarHBondContact O-N 3.01Å; E1285-N1288 PolarHBondContact O-N 2.64Å; E1285-N1288 VanDerWaalsContact OE2-CB 3.31Å; E1285-N1288 WeakPolarHBondContact OE2-CB 3.37Å; E1285-N1288 PolarHBondContact OE2-ND2 3.04Å; E1285-V1289 HydrophobicContact CG-CG2 4.31Å; E1285-V1289 WeakPolarHBondContact O-CB 3.44Å; E1285-V1289 VanDerWaalsContact O-CG2 3.25Å; E1285-V1289 WeakPolarHBondContact O-CG2 3.38Å; E1285-V1289 PolarHBondContact O-N 2.89Å; E1285-V1289 WeakPolarHBondContact OE1-CG2 3.34Å; E1285-V1340 HydrophobicContact CG-CG2 4.43Å
1286K89.7Confident85.3Confident68 Ų6868.2 Ų68.230%0.29635%0.345SS..Hα-helixtrans-60.2-42.3166.8175.6176.5166.8-169.10111.8L1282 Y1283 N1284 L1290 V1340 L1344L1282-K1286 PolarHBondContact O-N 3.13Å; L1282-K1286 VanDerWaalsContact O-N 3.07Å; Y1283-K1286 WeakPolarHBondContact O-CB 3.11Å; Y1283-K1286 PolarHBondContact O-N 2.91Å; N1284-K1286 VanDerWaalsContact C-N 3.33Å; N1284-K1286 PolarHBondContact O-N 3.17Å; K1286-L1290 HydrophobicContact CG-CD1 4.04Å; K1286-L1290 WeakPolarHBondContact O-CB 3.28Å; K1286-L1290 VanDerWaalsContact O-CG 3.23Å; K1286-L1290 WeakPolarHBondContact O-CG 3.41Å; K1286-L1290 PolarHBondContact O-N 3.12Å; K1286-V1340 HydrophobicContact CB-CG1 3.82Å; K1286-L1344 HydrophobicContact CB-CD1 4.06Å; K1286-L1344 HydrophobicContact CD-CD1 3.41Å; K1286-L1344 VanDerWaalsContact CD-CD1 3.41Å; K1286-L1344 HydrophobicContact CG-CD1 4.34Å
1287K85Confident86Confident143 Ų14367.2 Ų67.262%0.62233%0.329SS*.Hα-helixtrans-61.1-46.2174.6-169.3178.4178.3-179.60110.7Y1283 N1284 E1285 L1290 L1291Y1283-K1287 PolarHBondContact O-N 3.33Å; Y1283-K1287 VanDerWaalsContact O-N 3.07Å; N1284-K1287 WeakPolarHBondContact O-CA 3.45Å; N1284-K1287 VanDerWaalsContact O-CB 3.29Å; N1284-K1287 WeakPolarHBondContact O-CB 3.37Å; N1284-K1287 PolarHBondContact O-N 2.93Å; N1284-K1287 VanDerWaalsContact O-N 3.08Å; E1285-K1287 VanDerWaalsContact C-N 3.34Å; E1285-K1287 PolarHBondContact O-N 3.01Å; K1287-L1290 PolarHBondContact O-N 2.99Å; K1287-L1291 PolarHBondContact O-N 3.21Å
1288N86.6Confident86.4Confident76 Ų7667.5 Ų67.541%0.40633%0.333SS..Hα-helixtrans-60.3-47.4176.4-64-22.7000113N1284 E1285 L1290 L1291 K1292N1284-N1288 VanDerWaalsContact O-CG 3.27Å; N1284-N1288 PolarHBondContact O-N 3.46Å; N1284-N1288 PolarHBondContact O-ND2 3.26Å; E1285-N1288 PolarHBondContact O-N 2.64Å; E1285-N1288 VanDerWaalsContact OE2-CB 3.31Å; E1285-N1288 WeakPolarHBondContact OE2-CB 3.37Å; E1285-N1288 PolarHBondContact OE2-ND2 3.04Å; N1288-L1290 VanDerWaalsContact C-N 3.33Å; N1288-L1290 PolarHBondContact O-N 3.2Å; N1288-L1291 PolarHBondContact O-N 3.34Å; N1288-K1292 VanDerWaalsContact O-CG 3.3Å; N1288-K1292 WeakPolarHBondContact O-CG 3.39Å; N1288-K1292 PolarHBondContact O-N 3.31Å
1289V88.6Confident86.8Confident1 Ų167.9 Ų67.91%0.00633%0.329CS..Hα-helixtrans-66.7-35.6179.6173.90000111.2Y1270 E1285 K1293 I1333 Q1336 L1337Y1270-V1289 WeakPolarHBondContact OH-CG2 3.39Å; E1285-V1289 HydrophobicContact CG-CG2 4.31Å; E1285-V1289 WeakPolarHBondContact O-CB 3.44Å; E1285-V1289 VanDerWaalsContact O-CG2 3.25Å; E1285-V1289 WeakPolarHBondContact O-CG2 3.38Å; E1285-V1289 PolarHBondContact O-N 2.89Å; E1285-V1289 WeakPolarHBondContact OE1-CG2 3.34Å; V1289-K1293 WeakPolarHBondContact O-CB 3.26Å; V1289-K1293 PolarHBondContact O-N 2.97Å; V1289-I1333 HydrophobicContact CG1-CG2 4.05Å; V1289-Q1336 HydrophobicContact CG1-CB 4.36Å; V1289-L1337 HydrophobicContact CG1-CB 3.73Å; V1289-L1337 HydrophobicContact CG1-CD1 4Å; V1289-L1337 HydrophobicContact CG1-CG 4.44Å
1290L87.4Confident87.4Confident70 Ų7066 Ų6637%0.36632%0.316SS..Hα-helixtrans-66.9-38.1173-73.6171.5000112.3K1286 K1287 N1288 K1293 H1294 L1337K1286-L1290 HydrophobicContact CG-CD1 4.04Å; K1286-L1290 WeakPolarHBondContact O-CB 3.28Å; K1286-L1290 VanDerWaalsContact O-CG 3.23Å; K1286-L1290 WeakPolarHBondContact O-CG 3.41Å; K1286-L1290 PolarHBondContact O-N 3.12Å; K1287-L1290 PolarHBondContact O-N 2.99Å; N1288-L1290 VanDerWaalsContact C-N 3.33Å; N1288-L1290 PolarHBondContact O-N 3.2Å; L1290-K1293 HydrophobicContact CD2-CD 4.22Å; L1290-K1293 WeakPolarHBondContact O-CB 3.31Å; L1290-K1293 PolarHBondContact O-N 3.17Å; L1290-H1294 PolarHBondContact O-N 2.92Å; L1290-L1337 HydrophobicContact CD2-CD1 3.96Å; L1290-L1337 HydrophobicContact CD2-CD2 3.88Å; L1290-L1337 HydrophobicContact CG-CD1 4.09Å
1291L88.4Confident88.2Confident105 Ų10566 Ų6655%0.5532%0.32SS..Hα-helixtrans-66.2-49.6174.3-176.362.6000111.7K1287 N1288 K1293 H1294 I1295K1287-L1291 PolarHBondContact O-N 3.21Å; N1288-L1291 PolarHBondContact O-N 3.34Å; L1291-K1293 VanDerWaalsContact C-N 3.26Å; L1291-K1293 PolarHBondContact O-N 3.04Å; L1291-H1294 WeakPolarHBondContact O-CB 3.24Å; L1291-H1294 PolarHBondContact O-N 3.29Å; L1291-I1295 HydrophobicContact CG-CD1 4.24Å; L1291-I1295 WeakPolarHBondContact O-CG1 3.47Å; L1291-I1295 PolarHBondContact O-N 3.32Å
1292K88.8Confident88.6Confident100 Ų10067.4 Ų67.444%0.43533%0.327SS..Hα-helixtrans-54.9-41.6173.8-69.8165.6-176168.90111.5N1288 V1296 I1333N1288-K1292 VanDerWaalsContact O-CG 3.3Å; N1288-K1292 WeakPolarHBondContact O-CG 3.39Å; N1288-K1292 PolarHBondContact O-N 3.31Å; K1292-V1296 WeakPolarHBondContact O-CG2 3.17Å; K1292-V1296 PolarHBondContact O-N 2.86Å; K1292-I1333 HydrophobicContact CB-CD1 4.19Å
1293K92.8Very high88.8Confident58 Ų5869.3 Ų69.325%0.25233%0.334SS..Hα-helixtrans-63.9-40174.6176.2-174.1163.5-162.90112.6V1289 L1290 L1291 Q1297 Y1330 I1333 L1337V1289-K1293 WeakPolarHBondContact O-CB 3.26Å; V1289-K1293 PolarHBondContact O-N 2.97Å; L1290-K1293 HydrophobicContact CD2-CD 4.22Å; L1290-K1293 WeakPolarHBondContact O-CB 3.31Å; L1290-K1293 PolarHBondContact O-N 3.17Å; L1291-K1293 VanDerWaalsContact C-N 3.26Å; L1291-K1293 PolarHBondContact O-N 3.04Å; K1293-Q1297 WeakPolarHBondContact O-CB 3.2Å; K1293-Q1297 PolarHBondContact O-N 3.28Å; K1293-Q1297 VanDerWaalsContact O-N 3.07Å; K1293-Y1330 HydrophobicContact CG-CE2 4.33Å; K1293-I1333 HydrophobicContact CB-CG2 3.64Å; K1293-I1333 HydrophobicContact CG-CG2 4.43Å; K1293-L1337 HydrophobicContact CD-CD2 3.94Å
1294H90.2Very high89.3Confident110 Ų11067.3 Ų67.351%0.50933%0.328SS..Hα-helixtrans-64.6-52.7179.4179.165.4000110.8L1290 L1291 V1296 Q1297 T1298L1290-H1294 PolarHBondContact O-N 2.92Å; L1291-H1294 WeakPolarHBondContact O-CB 3.24Å; L1291-H1294 PolarHBondContact O-N 3.29Å; H1294-V1296 PolarHBondContact O-N 2.96Å; H1294-Q1297 WeakPolarHBondContact O-CB 3.27Å; H1294-Q1297 PolarHBondContact O-N 3.24Å; H1294-T1298 PolarHBondContact O-N 3.04Å; H1294-T1298 PolarHBondContact O-OG1 3.31Å
1295I90.1Very high89.6Confident88 Ų8867.5 Ų67.545%0.45133%0.328SS..Hα-helixtrans-52.8-56.2-180-63.6163.7000111.2L1291 Q1297 T1298 E1299L1291-I1295 HydrophobicContact CG-CD1 4.24Å; L1291-I1295 WeakPolarHBondContact O-CG1 3.47Å; L1291-I1295 PolarHBondContact O-N 3.32Å; I1295-Q1297 VanDerWaalsContact C-N 3.26Å; I1295-Q1297 PolarHBondContact O-N 3.4Å; I1295-T1298 PolarHBondContact O-N 3.2Å; I1295-T1298 VanDerWaalsContact O-N 3.12Å; I1295-E1299 PolarHBondContact O-N 3.34Å; I1295-E1299 VanDerWaalsContact O-N 3.12Å
1296V90.3Very high89.7Confident8 Ų868.3 Ų68.35%0.04834%0.337CS..Hα-helixtrans-66.3-28.4-178.7-177.80000112K1292 H1294 L1300 K1326 L1329 I1333K1292-V1296 WeakPolarHBondContact O-CG2 3.17Å; K1292-V1296 PolarHBondContact O-N 2.86Å; H1294-V1296 PolarHBondContact O-N 2.96Å; V1296-L1300 HydrophobicContact CG1-CD1 4.18Å; V1296-L1300 WeakPolarHBondContact O-CB 3.43Å; V1296-L1300 VanDerWaalsContact O-CG 3.24Å; V1296-L1300 WeakPolarHBondContact O-CG 3.23Å; V1296-L1300 PolarHBondContact O-N 3.28Å; V1296-K1326 HydrophobicContact CG1-CB 4.42Å; V1296-K1326 HydrophobicContact CG1-CD 4.38Å; V1296-K1326 WeakPolarHBondContact CG1-O 3.24Å; V1296-L1329 HydrophobicContact CG1-CD2 4.48Å; V1296-L1329 HydrophobicContact CG2-CD2 3.76Å; V1296-L1329 HydrophobicContact CG2-CG 4.24Å; V1296-I1333 HydrophobicContact CB-CD1 4.44Å; V1296-I1333 HydrophobicContact CG2-CD1 3.95Å
1297Q91.9Very high89.6Confident75 Ų7566 Ų6635%0.3533%0.328SS..Hα-helixtrans-72.1-37.4174.3-171.1173.5-69.400112K1293 H1294 I1295 L1300 V1301 Y1330K1293-Q1297 WeakPolarHBondContact O-CB 3.2Å; K1293-Q1297 PolarHBondContact O-N 3.28Å; K1293-Q1297 VanDerWaalsContact O-N 3.07Å; H1294-Q1297 WeakPolarHBondContact O-CB 3.27Å; H1294-Q1297 PolarHBondContact O-N 3.24Å; I1295-Q1297 VanDerWaalsContact C-N 3.26Å; I1295-Q1297 PolarHBondContact O-N 3.4Å; Q1297-L1300 PolarHBondContact O-N 2.86Å; Q1297-V1301 HydrophobicContact CG-CG2 4.47Å; Q1297-V1301 WeakPolarHBondContact O-CB 3.26Å; Q1297-V1301 VanDerWaalsContact O-CG2 3.24Å; Q1297-V1301 WeakPolarHBondContact O-CG2 3.03Å; Q1297-V1301 PolarHBondContact O-N 2.91Å; Q1297-Y1330 HydrophobicContact CB-CE2 3.89Å; Q1297-Y1330 HydrophobicContact CG-CE2 4.15Å; Q1297-Y1330 PolarHBondContact OE1-OH 2.99Å
1298T90.1Very high89.7Confident53 Ų5365.1 Ų65.133%0.32532%0.324SS..Hα-helixtrans-63.5-51.5176.2-60.70000110.5H1294 I1295 L1300 V1301 E1302H1294-T1298 PolarHBondContact O-N 3.04Å; H1294-T1298 PolarHBondContact O-OG1 3.31Å; I1295-T1298 PolarHBondContact O-N 3.2Å; I1295-T1298 VanDerWaalsContact O-N 3.12Å; T1298-L1300 VanDerWaalsContact C-N 3.33Å; T1298-L1300 PolarHBondContact O-N 3.1Å; T1298-V1301 PolarHBondContact O-N 2.83Å; T1298-E1302 WeakPolarHBondContact CG2-OE1 3.4Å; T1298-E1302 WeakPolarHBondContact O-CG 3.46Å; T1298-E1302 PolarHBondContact O-N 2.88Å
1299E90.5Very high89.7Confident57 Ų5770.6 Ų70.627%0.26634%0.339SS..Hα-helixtrans-53.9-46.4174.8-66.9-179.9-122.800112.8I1295 V1301 E1302 Y1303 K1326I1295-E1299 PolarHBondContact O-N 3.34Å; I1295-E1299 VanDerWaalsContact O-N 3.12Å; E1299-V1301 VanDerWaalsContact C-N 3.33Å; E1299-V1301 PolarHBondContact O-N 2.91Å; E1299-E1302 PolarHBondContact O-N 2.88Å; E1299-Y1303 WeakPolarHBondContact O-CB 3.4Å; E1299-Y1303 PolarHBondContact O-N 2.88Å; E1299-K1326 IonicContact OE1-NZ 2.77Å; E1299-K1326 PolarHBondContact OE1-NZ 3.29Å; E1299-K1326 VanDerWaalsContact OE2-CD 3.28Å; E1299-K1326 WeakPolarHBondContact OE2-CD 3.46Å; E1299-K1326 WeakPolarHBondContact OE2-CE 3.45Å; E1299-K1326 IonicContact OE2-NZ 2.71Å; E1299-K1326 PolarHBondContact OE2-NZ 2.97Å
1300L92.1Very high89.5Confident10 Ų1075 Ų755%0.05237%0.366CS..Hα-helixtrans-66.2-34.8179.1-74.6174.7000112.1V1296 Q1297 T1298 E1304 M1323 K1326 Y1327 Y1330V1296-L1300 HydrophobicContact CG1-CD1 4.18Å; V1296-L1300 WeakPolarHBondContact O-CB 3.43Å; V1296-L1300 VanDerWaalsContact O-CG 3.24Å; V1296-L1300 WeakPolarHBondContact O-CG 3.23Å; V1296-L1300 PolarHBondContact O-N 3.28Å; Q1297-L1300 PolarHBondContact O-N 2.86Å; T1298-L1300 VanDerWaalsContact C-N 3.33Å; T1298-L1300 PolarHBondContact O-N 3.1Å; L1300-E1304 VanDerWaalsContact O-CG 3.31Å; L1300-E1304 WeakPolarHBondContact O-CG 3.47Å; L1300-E1304 PolarHBondContact O-N 3.12Å; L1300-M1323 HydrophobicContact CD2-CB 4.5Å; L1300-K1326 HydrophobicContact CD2-CB 3.91Å; L1300-K1326 HydrophobicContact CG-CB 4.33Å; L1300-Y1327 HydrophobicContact CD1-CD1 4.21Å; L1300-Y1327 HydrophobicContact CD1-CE1 4.47Å; L1300-Y1327 HydrophobicContact CD2-CD1 4.12Å; L1300-Y1327 HydrophobicContact CD2-CD2 3.83Å; L1300-Y1327 HydrophobicContact CD2-CE1 4.07Å; L1300-Y1327 HydrophobicContact CD2-CE2 3.74Å; L1300-Y1327 HydrophobicContact CD2-CG 4Å; L1300-Y1330 HydrophobicContact CD1-CD1 4.04Å; L1300-Y1330 HydrophobicContact CD1-CG 3.89Å
1301V90.6Very high89.2Confident73 Ų7375.1 Ų75.144%0.44237%0.366SS..Hα-helixtrans-71.1-41.5176165.40000111.2Q1297 T1298 E1299 Y1303 E1304 N1305Q1297-V1301 HydrophobicContact CG-CG2 4.47Å; Q1297-V1301 WeakPolarHBondContact O-CB 3.26Å; Q1297-V1301 VanDerWaalsContact O-CG2 3.24Å; Q1297-V1301 WeakPolarHBondContact O-CG2 3.03Å; Q1297-V1301 PolarHBondContact O-N 2.91Å; T1298-V1301 PolarHBondContact O-N 2.83Å; E1299-V1301 VanDerWaalsContact C-N 3.33Å; E1299-V1301 PolarHBondContact O-N 2.91Å; V1301-Y1303 VanDerWaalsContact C-N 3.31Å; V1301-Y1303 PolarHBondContact O-N 3.07Å; V1301-E1304 PolarHBondContact O-N 2.87Å; V1301-N1305 WeakPolarHBondContact CG1-ND2 3.48Å; V1301-N1305 WeakPolarHBondContact O-CB 3.45Å; V1301-N1305 PolarHBondContact O-N 3.4Å; V1301-N1305 PolarHBondContact O-ND2 3.28Å
1302E90.7Very high88.9Confident122 Ų12273.5 Ų73.557%0.5738%0.375SS*.Hα-helixtrans-59-43172.7-72.9172.3-169.500111.5T1298 E1299 N1305 S1306T1298-E1302 WeakPolarHBondContact CG2-OE1 3.4Å; T1298-E1302 WeakPolarHBondContact O-CG 3.46Å; T1298-E1302 PolarHBondContact O-N 2.88Å; E1299-E1302 PolarHBondContact O-N 2.88Å; E1302-N1305 PolarHBondContact O-N 2.81Å; E1302-S1306 WeakPolarHBondContact O-CB 3.48Å; E1302-S1306 PolarHBondContact O-N 3.06Å; E1302-S1306 PolarHBondContact O-OG 3.16Å
1303Y91.6Very high88.8Confident51 Ų5174 Ų7420%0.237%0.374CS..Hα-helixtrans-68.3-43176.2-170.7-100.4000113.5E1299 V1301 N1305 S1306 I1307 E1319 P1322 M1323E1299-Y1303 WeakPolarHBondContact O-CB 3.4Å; E1299-Y1303 PolarHBondContact O-N 2.88Å; V1301-Y1303 VanDerWaalsContact C-N 3.31Å; V1301-Y1303 PolarHBondContact O-N 3.07Å; Y1303-N1305 VanDerWaalsContact C-N 3.26Å; Y1303-N1305 PolarHBondContact O-N 3.41Å; Y1303-S1306 PolarHBondContact O-N 3.19Å; Y1303-S1306 PolarHBondContact O-OG 3.3Å; Y1303-S1306 VanDerWaalsContact O-OG 3.07Å; Y1303-I1307 HydrophobicContact CD1-CD1 3.87Å; Y1303-I1307 HydrophobicContact CE1-CD1 3.29Å; Y1303-I1307 HydrophobicContact CE1-CG1 4.39Å; Y1303-I1307 HydrophobicContact CE2-CD1 4.32Å; Y1303-I1307 PolarHBondContact O-N 3.49Å; Y1303-I1307 VanDerWaalsContact O-N 3.15Å; Y1303-E1319 PolarHBondContact OH-O 3.12Å; Y1303-E1319 VanDerWaalsContact OH-O 3.11Å; Y1303-P1322 WeakPolarHBondContact OH-CG 3.33Å; Y1303-M1323 HydrophobicContact CD1-CB 4.11Å; Y1303-M1323 HydrophobicContact CD1-CG 3.66Å; Y1303-M1323 HydrophobicContact CD2-CG 3.59Å; Y1303-M1323 HydrophobicContact CD2-SD 4Å; Y1303-M1323 HydrophobicContact CE1-CB 4.01Å; Y1303-M1323 HydrophobicContact CE1-CG 3.65Å; Y1303-M1323 HydrophobicContact CE2-CG 3.61Å; Y1303-M1323 HydrophobicContact CG-CB 4.5Å; Y1303-M1323 HydrophobicContact CG-CG 3.61Å; Y1303-M1323 HydrophobicContact CG-SD 4Å
1304E89.6Confident88.3Confident48 Ų4878.7 Ų78.722%0.22439%0.394CS..Hα-helixtrans-63.4-34.6172.8-67.7-136.8134.800111.4L1300 V1301 K1308 P1315 R1320 Y1327L1300-E1304 VanDerWaalsContact O-CG 3.31Å; L1300-E1304 WeakPolarHBondContact O-CG 3.47Å; L1300-E1304 PolarHBondContact O-N 3.12Å; V1301-E1304 PolarHBondContact O-N 2.87Å; E1304-K1308 WeakPolarHBondContact O-CB 3.4Å; E1304-K1308 PolarHBondContact O-N 3.12Å; E1304-P1315 HydrophobicContact CB-CG 4.38Å; E1304-P1315 HydrophobicContact CG-CG 3.93Å; E1304-P1315 WeakPolarHBondContact OE1-CG 3.29Å; E1304-R1320 IonicContact OE1-CZ 2.61Å; E1304-R1320 IonicContact OE1-NE 3.46Å; E1304-R1320 PolarHBondContact OE1-NE 3.5Å; E1304-R1320 IonicContact OE1-NH2 3.24Å; E1304-R1320 PolarHBondContact OE1-NH2 2.98Å; E1304-Y1327 PolarHBondContact OE1-OH 2.97Å; E1304-Y1327 VanDerWaalsContact OE1-OH 3.09Å
1305N89.5Confident88Confident74 Ų7474 Ų7440%0.39637%0.374SS..Hα-helixtrans-74.7-37.1178.1-77.8-26.3000113.4V1301 E1302 Y1303 K1308 R1309V1301-N1305 WeakPolarHBondContact CG1-ND2 3.48Å; V1301-N1305 WeakPolarHBondContact O-CB 3.45Å; V1301-N1305 PolarHBondContact O-N 3.4Å; V1301-N1305 PolarHBondContact O-ND2 3.28Å; E1302-N1305 PolarHBondContact O-N 2.81Å; Y1303-N1305 VanDerWaalsContact C-N 3.26Å; Y1303-N1305 PolarHBondContact O-N 3.41Å; N1305-K1308 PolarHBondContact O-N 2.89Å; N1305-R1309 WeakPolarHBondContact O-CG 3.48Å; N1305-R1309 PolarHBondContact O-N 3.18Å
1306S89.3Confident87.8Confident45 Ų4572.5 Ų72.532%0.31537%0.368SS..Hα-helixtrans-65.5-44.1174.669.40000110.9E1302 Y1303 K1308 R1309 V1310E1302-S1306 WeakPolarHBondContact O-CB 3.48Å; E1302-S1306 PolarHBondContact O-N 3.06Å; E1302-S1306 PolarHBondContact O-OG 3.16Å; Y1303-S1306 PolarHBondContact O-N 3.19Å; Y1303-S1306 PolarHBondContact O-OG 3.3Å; Y1303-S1306 VanDerWaalsContact O-OG 3.07Å; S1306-K1308 PolarHBondContact O-N 3.5Å; S1306-R1309 PolarHBondContact O-N 3.29Å; S1306-V1310 WeakPolarHBondContact O-CG2 3.31Å; S1306-V1310 PolarHBondContact O-N 3.48Å
1307I87.7Confident87.6Confident20 Ų2081.6 Ų81.610%0.10341%0.407CS..Hα-helixtrans-63.3-42.5172.9-68.1177.3000111.5Y1303 R1309 V1310 L1311 P1315 E1319Y1303-I1307 HydrophobicContact CD1-CD1 3.87Å; Y1303-I1307 HydrophobicContact CE1-CD1 3.29Å; Y1303-I1307 HydrophobicContact CE1-CG1 4.39Å; Y1303-I1307 HydrophobicContact CE2-CD1 4.32Å; Y1303-I1307 PolarHBondContact O-N 3.49Å; Y1303-I1307 VanDerWaalsContact O-N 3.15Å; I1307-R1309 VanDerWaalsContact C-N 3.31Å; I1307-R1309 PolarHBondContact O-N 3.33Å; I1307-V1310 PolarHBondContact O-N 2.63Å; I1307-L1311 HydrophobicContact CG2-CD1 3.8Å; I1307-L1311 HydrophobicContact CG2-CG 4.29Å; I1307-L1311 WeakPolarHBondContact O-CB 3.41Å; I1307-L1311 PolarHBondContact O-N 3.19Å; I1307-P1315 HydrophobicContact CB-CB 4.48Å; I1307-P1315 HydrophobicContact CD1-CB 3.92Å; I1307-P1315 HydrophobicContact CG2-CB 3.97Å; I1307-E1319 HydrophobicContact CD1-CB 4.25Å
1308K87.9Confident87.2Confident123 Ų12382.2 Ų82.254%0.53542%0.416SS..Hα-helixtrans-60.9-39176.9-174.7-170171.8-156.30111.8E1304 N1305 S1306 G1312E1304-K1308 WeakPolarHBondContact O-CB 3.4Å; E1304-K1308 PolarHBondContact O-N 3.12Å; N1305-K1308 PolarHBondContact O-N 2.89Å; S1306-K1308 PolarHBondContact O-N 3.5Å; K1308-G1312 VanDerWaalsContact O-CA 3.28Å; K1308-G1312 WeakPolarHBondContact O-CA 3.44Å; K1308-G1312 PolarHBondContact O-N 2.6Å
1309R86.1Confident86.9Confident192 Ų19281.7 Ų81.773%0.72541%0.41SS*.Hα-helixtrans-63.5-48.4172.8-77.8-171.6-77.4172-5.7111.9N1305 S1306 I1307N1305-R1309 WeakPolarHBondContact O-CG 3.48Å; N1305-R1309 PolarHBondContact O-N 3.18Å; S1306-R1309 PolarHBondContact O-N 3.29Å; I1307-R1309 VanDerWaalsContact C-N 3.31Å; I1307-R1309 PolarHBondContact O-N 3.33Å
1310V83.5Confident86.7Confident94 Ų9483.9 Ų83.957%0.5742%0.416SS*.Hα-helixtrans-73.2-36.2-174.9174.30000113.5R505 S1306 I1307R505-V1310 PolarHBondContact NH2-O 3.28Å; R505-V1310 VanDerWaalsContact NH2-O 3.12Å; S1306-V1310 WeakPolarHBondContact O-CG2 3.31Å; S1306-V1310 PolarHBondContact O-N 3.48Å; I1307-V1310 PolarHBondContact O-N 2.63Å
1311L82Confident86.4Confident72 Ų7289.7 Ų89.738%0.37744%0.441SS..Hα-helixtrans-109.4-9.5-172.2-59.5-176.5000114.8I1307 R1313 E1319I1307-L1311 HydrophobicContact CG2-CD1 3.8Å; I1307-L1311 HydrophobicContact CG2-CG 4.29Å; I1307-L1311 WeakPolarHBondContact O-CB 3.41Å; I1307-L1311 PolarHBondContact O-N 3.19Å; L1311-R1313 HydrophobicContact CB-CG 4.04Å; L1311-R1313 PolarHBondContact O-N 3.17Å; L1311-R1313 VanDerWaalsContact O-N 3.17Å; L1311-E1319 VanDerWaalsContact CD1-OE1 3.24Å; L1311-E1319 WeakPolarHBondContact CD1-OE1 3.33Å
1312G81.6Confident86.2Confident70 Ų7090.5 Ų90.572%0.72245%0.448SS*.SBendtrans68.65-176.500000114.8K1308K1308-G1312 VanDerWaalsContact O-CA 3.28Å; K1308-G1312 WeakPolarHBondContact O-CA 3.44Å; K1308-G1312 PolarHBondContact O-N 2.6Å
1313R86.1Confident86.1Confident111 Ų11186.8 Ų86.842%0.41943%0.431SS..SBendtrans-142.3163.6-176.960.216817668.9-1.6111.4L1311 E1319L1311-R1313 HydrophobicContact CB-CG 4.04Å; L1311-R1313 PolarHBondContact O-N 3.17Å; L1311-R1313 VanDerWaalsContact O-N 3.17Å; R1313-E1319 IonicContact CZ-OE1 2.88Å; R1313-E1319 IonicContact CZ-OE2 3.65Å; R1313-E1319 VanDerWaalsContact NH1-CD 3.31Å; R1313-E1319 IonicContact NH1-OE1 3.15Å; R1313-E1319 PolarHBondContact NH1-OE1 3.12Å; R1313-E1319 VanDerWaalsContact NH1-OE1 3.09Å; R1313-E1319 IonicContact NH1-OE2 2.75Å; R1313-E1319 PolarHBondContact NH1-OE2 3.04Å; R1313-E1319 IonicContact NH2-OE1 2.73Å; R1313-E1319 PolarHBondContact NH2-OE1 2.95Å; R1313-E1319 IonicContact NH2-OE2 3.97Å
1314K83Confident85.9Confident157 Ų15790.5 Ų90.568%0.68345%0.445SS*.  trans-66151.1174.8-65.3-163.4175.7-160.40111.8
1315P84.6Confident85.8Confident12 Ų1293.8 Ų93.88%0.07846%0.464CS..  trans-63.3139.4177.623.7-33.8000113.1E1304 I1307 E1319 R1320E1304-P1315 HydrophobicContact CB-CG 4.38Å; E1304-P1315 HydrophobicContact CG-CG 3.93Å; E1304-P1315 WeakPolarHBondContact OE1-CG 3.29Å; I1307-P1315 HydrophobicContact CB-CB 4.48Å; I1307-P1315 HydrophobicContact CD1-CB 3.92Å; I1307-P1315 HydrophobicContact CG2-CB 3.97Å; P1315-E1319 HydrophobicContact CB-CB 4.15Å; P1315-R1320 HydrophobicContact CB-CG 4.11Å; P1315-R1320 HydrophobicContact CG-CG 4.42Å
1316T85.8Confident85.8Confident55 Ų5593.1 Ų93.134%0.33746%0.457SS..  trans-88174.6175.759.10000112.1T1318 E1319 R1320T1316-T1318 PolarHBondContact O-N 3.5Å; T1316-T1318 PolarHBondContact OG1-OG1 3.43Å; T1316-E1319 WeakPolarHBondContact CB-OE2 3.43Å; T1316-E1319 WeakPolarHBondContact CG2-OE2 3.3Å; T1316-E1319 PolarHBondContact N-OE2 3.42Å; T1316-E1319 PolarHBondContact O-N 2.9Å; T1316-E1319 PolarHBondContact OG1-OE2 3.35Å; T1316-R1320 PolarHBondContact O-N 3.4Å
1317K84.7Confident85.9Confident199 Ų19993 Ų9387%0.86545%0.451SS*.THydrogen-bonded Turntrans-60.3-28.3178.3-71.2-173.8177.4-178.10113.9
1318T84Confident86Confident88 Ų8897.1 Ų97.154%0.5447%0.469SS..THydrogen-bonded Turntrans-76.4-44.217535.80000111.2T1316 R1320 K1321T1316-T1318 PolarHBondContact O-N 3.5Å; T1316-T1318 PolarHBondContact OG1-OG1 3.43Å; T1318-R1320 VanDerWaalsContact C-N 3.28Å; T1318-R1320 PolarHBondContact O-N 3.29Å; T1318-K1321 VanDerWaalsContact O-CB 3.26Å; T1318-K1321 WeakPolarHBondContact O-CB 3.47Å; T1318-K1321 VanDerWaalsContact O-CG 3.29Å; T1318-K1321 WeakPolarHBondContact O-CG 3.47Å; T1318-K1321 PolarHBondContact O-N 3.08Å; T1318-K1321 VanDerWaalsContact O-N 3.11Å
1319E84.1Confident86.1Confident42 Ų4294.2 Ų94.220%0.19646%0.459CS..THydrogen-bonded Turntrans-71.6-18.6179.2-69.5148.8177.700113.4Y1303 I1307 L1311 R1313 P1315 T1316 K1321 P1322Y1303-E1319 PolarHBondContact OH-O 3.12Å; Y1303-E1319 VanDerWaalsContact OH-O 3.11Å; I1307-E1319 HydrophobicContact CD1-CB 4.25Å; L1311-E1319 VanDerWaalsContact CD1-OE1 3.24Å; L1311-E1319 WeakPolarHBondContact CD1-OE1 3.33Å; R1313-E1319 IonicContact CZ-OE1 2.88Å; R1313-E1319 IonicContact CZ-OE2 3.65Å; R1313-E1319 VanDerWaalsContact NH1-CD 3.31Å; R1313-E1319 IonicContact NH1-OE1 3.15Å; R1313-E1319 PolarHBondContact NH1-OE1 3.12Å; R1313-E1319 VanDerWaalsContact NH1-OE1 3.09Å; R1313-E1319 IonicContact NH1-OE2 2.75Å; R1313-E1319 PolarHBondContact NH1-OE2 3.04Å; R1313-E1319 IonicContact NH2-OE1 2.73Å; R1313-E1319 PolarHBondContact NH2-OE1 2.95Å; R1313-E1319 IonicContact NH2-OE2 3.97Å; P1315-E1319 HydrophobicContact CB-CB 4.15Å; T1316-E1319 WeakPolarHBondContact CB-OE2 3.43Å; T1316-E1319 WeakPolarHBondContact CG2-OE2 3.3Å; T1316-E1319 PolarHBondContact N-OE2 3.42Å; T1316-E1319 PolarHBondContact O-N 2.9Å; T1316-E1319 PolarHBondContact OG1-OE2 3.35Å; E1319-K1321 VanDerWaalsContact C-N 3.33Å; E1319-P1322 VanDerWaalsContact O-CD 3.27Å; E1319-P1322 WeakPolarHBondContact O-CD 3.18Å
1320R86.6Confident86.4Confident103 Ų10387 Ų8739%0.38943%0.432SS..THydrogen-bonded Turntrans-81.5-5.3169.3-71.6-173.5174.1160.5-3.5114.3E1304 P1315 T1316 T1318 M1323 R1324 Y1327E1304-R1320 IonicContact OE1-CZ 2.61Å; E1304-R1320 IonicContact OE1-NE 3.46Å; E1304-R1320 PolarHBondContact OE1-NE 3.5Å; E1304-R1320 IonicContact OE1-NH2 3.24Å; E1304-R1320 PolarHBondContact OE1-NH2 2.98Å; P1315-R1320 HydrophobicContact CB-CG 4.11Å; P1315-R1320 HydrophobicContact CG-CG 4.42Å; T1316-R1320 PolarHBondContact O-N 3.4Å; T1318-R1320 VanDerWaalsContact C-N 3.28Å; T1318-R1320 PolarHBondContact O-N 3.29Å; R1320-M1323 PolarHBondContact O-N 3.13Å; R1320-R1324 PolarHBondContact O-N 3.29Å; R1320-Y1327 HydrophobicContact CB-CD2 4.41Å; R1320-Y1327 HydrophobicContact CB-CE2 3.94Å; R1320-Y1327 HydrophobicContact CG-CE2 3.71Å; R1320-Y1327 PolarHBondContact NE-OH 3.32Å
1321K85.7Confident86.6Confident132 Ų13286.5 Ų86.557%0.57443%0.426SS*.G310 helixtrans-58.8-43.3177.8-71.9-179.9176.3-174.50113.9T1318 E1319 M1323 R1324T1318-K1321 VanDerWaalsContact O-CB 3.26Å; T1318-K1321 WeakPolarHBondContact O-CB 3.47Å; T1318-K1321 VanDerWaalsContact O-CG 3.29Å; T1318-K1321 WeakPolarHBondContact O-CG 3.47Å; T1318-K1321 PolarHBondContact O-N 3.08Å; T1318-K1321 VanDerWaalsContact O-N 3.11Å; E1319-K1321 VanDerWaalsContact C-N 3.33Å; K1321-M1323 PolarHBondContact O-N 3.06Å; K1321-R1324 WeakPolarHBondContact O-CB 3.46Å; K1321-R1324 PolarHBondContact O-N 2.98Å
1322P86.9Confident87Confident91 Ų9185.1 Ų85.159%0.59142%0.419SS*.G310 helixtrans-70.3-16.1-175.4-19.834.4000114.7Y1303 E1319Y1303-P1322 WeakPolarHBondContact OH-CG 3.33Å; E1319-P1322 VanDerWaalsContact O-CD 3.27Å; E1319-P1322 WeakPolarHBondContact O-CD 3.18Å
1323M87Confident87.4Confident44 Ų4482 Ų8222%0.21739%0.386CS..G310 helixtrans-115.518.4178.1-74.2-10189.700112.1L1300 Y1303 R1320 K1321 D1325 K1326 Y1327L1300-M1323 HydrophobicContact CD2-CB 4.5Å; Y1303-M1323 HydrophobicContact CD1-CB 4.11Å; Y1303-M1323 HydrophobicContact CD1-CG 3.66Å; Y1303-M1323 HydrophobicContact CD2-CG 3.59Å; Y1303-M1323 HydrophobicContact CD2-SD 4Å; Y1303-M1323 HydrophobicContact CE1-CB 4.01Å; Y1303-M1323 HydrophobicContact CE1-CG 3.65Å; Y1303-M1323 HydrophobicContact CE2-CG 3.61Å; Y1303-M1323 HydrophobicContact CG-CB 4.5Å; Y1303-M1323 HydrophobicContact CG-CG 3.61Å; Y1303-M1323 HydrophobicContact CG-SD 4Å; R1320-M1323 PolarHBondContact O-N 3.13Å; K1321-M1323 PolarHBondContact O-N 3.06Å; M1323-D1325 PolarHBondContact O-N 3.48Å; M1323-K1326 HydrophobicContact CE-CB 4.47Å; M1323-K1326 HydrophobicContact CE-CG 3.76Å; M1323-K1326 PolarHBondContact O-N 3.45Å; M1323-K1326 HydrophobicContact SD-CG 4.34Å; M1323-Y1327 HydrophobicContact CB-CD2 4.28Å; M1323-Y1327 HydrophobicContact CB-CE2 4.2Å; M1323-Y1327 VanDerWaalsContact O-CD2 3.28Å; M1323-Y1327 WeakPolarHBondContact O-CD2 3.49Å; M1323-Y1327 PolarHBondContact O-N 3.07Å; M1323-Y1327 VanDerWaalsContact O-N 3.08Å
1324R87.8Confident87.6Confident129 Ų12981 Ų8149%0.48739%0.385SS..Hα-helixtrans-47.9-48.7-178.4171.5178.9-69.8-116.24111.5R1320 K1321 K1326 Y1327 E1328R1320-R1324 PolarHBondContact O-N 3.29Å; K1321-R1324 WeakPolarHBondContact O-CB 3.46Å; K1321-R1324 PolarHBondContact O-N 2.98Å; R1324-K1326 VanDerWaalsContact C-N 3.3Å; R1324-K1326 PolarHBondContact O-N 3.38Å; R1324-Y1327 CarbonylContact O-C 3.55Å; R1324-Y1327 WeakPolarHBondContact O-CA 3.22Å; R1324-Y1327 WeakPolarHBondContact O-CB 3.48Å; R1324-Y1327 PolarHBondContact O-N 2.9Å; R1324-E1328 WeakPolarHBondContact CD-OE1 3.13Å; R1324-E1328 HydrophobicContact CG-CG 4.22Å; R1324-E1328 WeakPolarHBondContact CG-OE1 3.49Å; R1324-E1328 IonicContact NH1-OE1 3.92Å; R1324-E1328 PolarHBondContact NH1-OE1 3.34Å; R1324-E1328 WeakPolarHBondContact O-CG 3.22Å; R1324-E1328 PolarHBondContact O-N 3.46Å
1325D88Confident87.9Confident117 Ų11777.2 Ų77.263%0.62637%0.366SS*.Hα-helixtrans-66.6-35.6-170.7-41.5-24.3000110.8M1323 E1328 L1329M1323-D1325 PolarHBondContact O-N 3.48Å; D1325-E1328 PolarHBondContact O-N 3.28Å; D1325-L1329 WeakPolarHBondContact O-CB 3.48Å; D1325-L1329 PolarHBondContact O-N 2.66Å
1326K89.8Confident88.2Confident60 Ų6078.2 Ų78.226%0.26137%0.37SS..Hα-helixtrans-69.8-36.9171.8-65.7-74.6179.6158.70112.2V1296 E1299 L1300 M1323 R1324 Y1330V1296-K1326 HydrophobicContact CG1-CB 4.42Å; V1296-K1326 HydrophobicContact CG1-CD 4.38Å; V1296-K1326 WeakPolarHBondContact CG1-O 3.24Å; E1299-K1326 IonicContact OE1-NZ 2.77Å; E1299-K1326 PolarHBondContact OE1-NZ 3.29Å; E1299-K1326 VanDerWaalsContact OE2-CD 3.28Å; E1299-K1326 WeakPolarHBondContact OE2-CD 3.46Å; E1299-K1326 WeakPolarHBondContact OE2-CE 3.45Å; E1299-K1326 IonicContact OE2-NZ 2.71Å; E1299-K1326 PolarHBondContact OE2-NZ 2.97Å; L1300-K1326 HydrophobicContact CD2-CB 3.91Å; L1300-K1326 HydrophobicContact CG-CB 4.33Å; M1323-K1326 HydrophobicContact CE-CB 4.47Å; M1323-K1326 HydrophobicContact CE-CG 3.76Å; M1323-K1326 PolarHBondContact O-N 3.45Å; M1323-K1326 HydrophobicContact SD-CG 4.34Å; R1324-K1326 VanDerWaalsContact C-N 3.3Å; R1324-K1326 PolarHBondContact O-N 3.38Å; K1326-Y1330 VanDerWaalsContact O-CB 3.26Å; K1326-Y1330 WeakPolarHBondContact O-CB 3.26Å; K1326-Y1330 PolarHBondContact O-N 3.49Å
1327Y90.7Very high88.4Confident43 Ų4376.1 Ų76.117%0.16936%0.356CS..Hα-helixtrans-65.5-38171-79.7-76.1000112.5L1300 E1304 R1320 M1323 R1324 N1331L1300-Y1327 HydrophobicContact CD1-CD1 4.21Å; L1300-Y1327 HydrophobicContact CD1-CE1 4.47Å; L1300-Y1327 HydrophobicContact CD2-CD1 4.12Å; L1300-Y1327 HydrophobicContact CD2-CD2 3.83Å; L1300-Y1327 HydrophobicContact CD2-CE1 4.07Å; L1300-Y1327 HydrophobicContact CD2-CE2 3.74Å; L1300-Y1327 HydrophobicContact CD2-CG 4Å; E1304-Y1327 PolarHBondContact OE1-OH 2.97Å; E1304-Y1327 VanDerWaalsContact OE1-OH 3.09Å; R1320-Y1327 HydrophobicContact CB-CD2 4.41Å; R1320-Y1327 HydrophobicContact CB-CE2 3.94Å; R1320-Y1327 HydrophobicContact CG-CE2 3.71Å; R1320-Y1327 PolarHBondContact NE-OH 3.32Å; M1323-Y1327 HydrophobicContact CB-CD2 4.28Å; M1323-Y1327 HydrophobicContact CB-CE2 4.2Å; M1323-Y1327 VanDerWaalsContact O-CD2 3.28Å; M1323-Y1327 WeakPolarHBondContact O-CD2 3.49Å; M1323-Y1327 PolarHBondContact O-N 3.07Å; M1323-Y1327 VanDerWaalsContact O-N 3.08Å; R1324-Y1327 CarbonylContact O-C 3.55Å; R1324-Y1327 WeakPolarHBondContact O-CA 3.22Å; R1324-Y1327 WeakPolarHBondContact O-CB 3.48Å; R1324-Y1327 PolarHBondContact O-N 2.9Å; Y1327-N1331 PolarHBondContact O-N 2.86Å; Y1327-N1331 VanDerWaalsContact O-N 3.15Å; Y1327-N1331 PolarHBondContact O-ND2 2.92Å
1328E89.5Confident88.6Confident106 Ų10671 Ų7150%0.49533%0.334SS..Hα-helixtrans-72.6-42.1178.8-71.3175.6-169.300110.7R1324 D1325 N1331 L1332R1324-E1328 WeakPolarHBondContact CD-OE1 3.13Å; R1324-E1328 HydrophobicContact CG-CG 4.22Å; R1324-E1328 WeakPolarHBondContact CG-OE1 3.49Å; R1324-E1328 IonicContact NH1-OE1 3.92Å; R1324-E1328 PolarHBondContact NH1-OE1 3.34Å; R1324-E1328 WeakPolarHBondContact O-CG 3.22Å; R1324-E1328 PolarHBondContact O-N 3.46Å; D1325-E1328 PolarHBondContact O-N 3.28Å; E1328-N1331 WeakPolarHBondContact O-CB 3.23Å; E1328-N1331 PolarHBondContact O-N 3.32Å; E1328-N1331 VanDerWaalsContact O-N 3.16Å; E1328-L1332 PolarHBondContact O-N 3.29Å
1329L90.2Very high88.7Confident62 Ų6267.2 Ų67.233%0.32531%0.311SS..Hα-helixtrans-58.8-45.3169.7179.760.7000112.5V1296 D1325 N1331 L1332 I1333V1296-L1329 HydrophobicContact CG1-CD2 4.48Å; V1296-L1329 HydrophobicContact CG2-CD2 3.76Å; V1296-L1329 HydrophobicContact CG2-CG 4.24Å; D1325-L1329 WeakPolarHBondContact O-CB 3.48Å; D1325-L1329 PolarHBondContact O-N 2.66Å; L1329-N1331 PolarHBondContact O-N 3.48Å; L1329-L1332 WeakPolarHBondContact O-CB 3.37Å; L1329-L1332 PolarHBondContact O-N 3.45Å; L1329-L1332 VanDerWaalsContact O-N 3.1Å; L1329-I1333 HydrophobicContact CD1-CD1 3.97Å; L1329-I1333 HydrophobicContact CD1-CG1 4.18Å; L1329-I1333 HydrophobicContact CG-CD1 3.84Å; L1329-I1333 HydrophobicContact CG-CG1 4.46Å; L1329-I1333 WeakPolarHBondContact O-CG1 3.4Å; L1329-I1333 PolarHBondContact O-N 3.26Å
1330Y92.3Very high88.9Confident39 Ų3965.2 Ų65.215%0.15330%0.301CS..Hα-helixtrans-62.1-32175.9-177.7-120.1000112.7K1293 Q1297 L1300 K1326 K1334K1293-Y1330 HydrophobicContact CG-CE2 4.33Å; Q1297-Y1330 HydrophobicContact CB-CE2 3.89Å; Q1297-Y1330 HydrophobicContact CG-CE2 4.15Å; Q1297-Y1330 PolarHBondContact OE1-OH 2.99Å; L1300-Y1330 HydrophobicContact CD1-CD1 4.04Å; L1300-Y1330 HydrophobicContact CD1-CG 3.89Å; K1326-Y1330 VanDerWaalsContact O-CB 3.26Å; K1326-Y1330 WeakPolarHBondContact O-CB 3.26Å; K1326-Y1330 PolarHBondContact O-N 3.49Å; Y1330-K1334 HydrophobicContact CE1-CD 4.29Å; Y1330-K1334 WeakPolarHBondContact O-CB 3.19Å; Y1330-K1334 WeakPolarHBondContact O-CG 3.41Å; Y1330-K1334 PolarHBondContact O-N 3.34Å; Y1330-K1334 VanDerWaalsContact OH-CE 3.32Å; Y1330-K1334 WeakPolarHBondContact OH-CE 3.44Å; Y1330-K1334 PolarHBondContact OH-NZ 3.01Å
1331N89.2Confident88.8Confident84 Ų8464.4 Ų64.445%0.44930%0.302SS..Hα-helixtrans-73.5-38.1172.1-72.4-43.3000112.2Y1327 E1328 L1329 K1334 R1335Y1327-N1331 PolarHBondContact O-N 2.86Å; Y1327-N1331 VanDerWaalsContact O-N 3.15Å; Y1327-N1331 PolarHBondContact O-ND2 2.92Å; E1328-N1331 WeakPolarHBondContact O-CB 3.23Å; E1328-N1331 PolarHBondContact O-N 3.32Å; E1328-N1331 VanDerWaalsContact O-N 3.16Å; L1329-N1331 PolarHBondContact O-N 3.48Å; N1331-K1334 PolarHBondContact O-N 2.98Å; N1331-R1335 WeakPolarHBondContact O-CG 3.42Å; N1331-R1335 PolarHBondContact O-N 2.95Å; N1331-R1335 VanDerWaalsContact O-N 3.11Å
1332L90.1Very high88.7Confident43 Ų4360.3 Ų60.323%0.22529%0.29CS..Hα-helixtrans-62.8-49.7174.5-176.465.6000111.2N1266 I1267 E1328 L1329 K1334 R1335 Q1336N1266-L1332 HydrophobicContact CB-CD1 4.3Å; I1267-L1332 HydrophobicContact CD1-CD1 3.9Å; I1267-L1332 HydrophobicContact CG1-CD1 4.08Å; E1328-L1332 PolarHBondContact O-N 3.29Å; L1329-L1332 WeakPolarHBondContact O-CB 3.37Å; L1329-L1332 PolarHBondContact O-N 3.45Å; L1329-L1332 VanDerWaalsContact O-N 3.1Å; L1332-K1334 VanDerWaalsContact C-N 3.26Å; L1332-K1334 PolarHBondContact O-N 2.92Å; L1332-R1335 CarbonylContact O-C 3.49Å; L1332-R1335 WeakPolarHBondContact O-CA 3.38Å; L1332-R1335 WeakPolarHBondContact O-CB 3.26Å; L1332-R1335 PolarHBondContact O-N 3.07Å; L1332-Q1336 PolarHBondContact O-N 3.3Å
1333I89.9Confident88.4Confident5 Ų558.7 Ų58.73%0.02627%0.273CS..Hα-helixtrans-58.7-37.4177.1-66.5166.5000111.2V1289 K1292 K1293 V1296 L1329 Q1336 L1337V1289-I1333 HydrophobicContact CG1-CG2 4.05Å; K1292-I1333 HydrophobicContact CB-CD1 4.19Å; K1293-I1333 HydrophobicContact CB-CG2 3.64Å; K1293-I1333 HydrophobicContact CG-CG2 4.43Å; V1296-I1333 HydrophobicContact CB-CD1 4.44Å; V1296-I1333 HydrophobicContact CG2-CD1 3.95Å; L1329-I1333 HydrophobicContact CD1-CD1 3.97Å; L1329-I1333 HydrophobicContact CD1-CG1 4.18Å; L1329-I1333 HydrophobicContact CG-CD1 3.84Å; L1329-I1333 HydrophobicContact CG-CG1 4.46Å; L1329-I1333 WeakPolarHBondContact O-CG1 3.4Å; L1329-I1333 PolarHBondContact O-N 3.26Å; I1333-Q1336 PolarHBondContact O-N 2.71Å; I1333-L1337 WeakPolarHBondContact O-CB 3.48Å; I1333-L1337 PolarHBondContact O-N 2.73Å
1334K90Very high88.1Confident90 Ų9057.6 Ų57.639%0.39127%0.267SS..Hα-helixtrans-65-35.8172.6-83.8177.4175.1172.70113.7Y1330 N1331 L1332 K1338Y1330-K1334 HydrophobicContact CE1-CD 4.29Å; Y1330-K1334 WeakPolarHBondContact O-CB 3.19Å; Y1330-K1334 WeakPolarHBondContact O-CG 3.41Å; Y1330-K1334 PolarHBondContact O-N 3.34Å; Y1330-K1334 VanDerWaalsContact OH-CE 3.32Å; Y1330-K1334 WeakPolarHBondContact OH-CE 3.44Å; Y1330-K1334 PolarHBondContact OH-NZ 3.01Å; N1331-K1334 PolarHBondContact O-N 2.98Å; L1332-K1334 VanDerWaalsContact C-N 3.26Å; L1332-K1334 PolarHBondContact O-N 2.92Å; K1334-K1338 WeakPolarHBondContact O-CB 3.44Å; K1334-K1338 PolarHBondContact O-N 3.47Å
1335R89.7Confident87.5Confident77 Ų7756.2 Ų56.229%0.29127%0.269SS..Hα-helixtrans-69-43.4172.5-65.4-175.9-156.9-171.716.4110.7D1263 D1264 I1267 N1331 L1332 K1338 V1339D1263-R1335 IonicContact OD2-CZ 2.72Å; D1263-R1335 IonicContact OD2-NH1 2.82Å; D1263-R1335 IonicContact OD2-NH2 2.71Å; D1263-R1335 PolarHBondContact OD2-NH2 3.22Å; D1264-R1335 IonicContact OD1-CZ 2.64Å; D1264-R1335 IonicContact OD1-NH1 2.63Å; D1264-R1335 PolarHBondContact OD1-NH1 3.29Å; I1267-R1335 HydrophobicContact CD1-CB 3.53Å; I1267-R1335 HydrophobicContact CG1-CB 3.97Å; N1331-R1335 WeakPolarHBondContact O-CG 3.42Å; N1331-R1335 PolarHBondContact O-N 2.95Å; N1331-R1335 VanDerWaalsContact O-N 3.11Å; L1332-R1335 CarbonylContact O-C 3.49Å; L1332-R1335 WeakPolarHBondContact O-CA 3.38Å; L1332-R1335 WeakPolarHBondContact O-CB 3.26Å; L1332-R1335 PolarHBondContact O-N 3.07Å; R1335-K1338 PolarHBondContact O-N 3.4Å; R1335-V1339 WeakPolarHBondContact O-CG2 3.35Å; R1335-V1339 PolarHBondContact O-N 3.23Å
1336Q90.5Very high86.4Confident34 Ų3456.7 Ų56.716%0.15927%0.271CS..Hα-helixtrans-57.5-50.6175.5-69.7-179.8-68.200111.5I1267 Y1270 V1289 L1332 I1333 K1338 V1339 V1340I1267-Q1336 HydrophobicContact CD1-CG 3.87Å; Y1270-Q1336 HydrophobicContact CD1-CB 3.98Å; Y1270-Q1336 HydrophobicContact CD1-CG 3.69Å; Y1270-Q1336 HydrophobicContact CE1-CB 3.49Å; Y1270-Q1336 VanDerWaalsContact CE1-CB 3.49Å; Y1270-Q1336 HydrophobicContact CE1-CG 3.67Å; Y1270-Q1336 HydrophobicContact CG-CG 4.12Å; V1289-Q1336 HydrophobicContact CG1-CB 4.36Å; L1332-Q1336 PolarHBondContact O-N 3.3Å; I1333-Q1336 PolarHBondContact O-N 2.71Å; Q1336-K1338 VanDerWaalsContact C-N 3.32Å; Q1336-K1338 PolarHBondContact O-N 2.81Å; Q1336-V1339 WeakPolarHBondContact O-CA 3.34Å; Q1336-V1339 WeakPolarHBondContact O-CB 3.32Å; Q1336-V1339 PolarHBondContact O-N 2.85Å; Q1336-V1340 PolarHBondContact O-N 3.09Å
1337L89.7Confident85.3Confident10 Ų1055.3 Ų55.35%0.05227%0.267CS..Hα-helixtrans-57.6-43.8177.6-173.464.3000111.9V1289 L1290 K1293 I1333 V1339 V1340 E1341V1289-L1337 HydrophobicContact CG1-CB 3.73Å; V1289-L1337 HydrophobicContact CG1-CD1 4Å; V1289-L1337 HydrophobicContact CG1-CG 4.44Å; L1290-L1337 HydrophobicContact CD2-CD1 3.96Å; L1290-L1337 HydrophobicContact CD2-CD2 3.88Å; L1290-L1337 HydrophobicContact CG-CD1 4.09Å; K1293-L1337 HydrophobicContact CD-CD2 3.94Å; I1333-L1337 WeakPolarHBondContact O-CB 3.48Å; I1333-L1337 PolarHBondContact O-N 2.73Å; L1337-V1339 PolarHBondContact O-N 3.35Å; L1337-V1340 PolarHBondContact O-N 3.46Å; L1337-E1341 HydrophobicContact CD1-CG 4.43Å; L1337-E1341 HydrophobicContact CG-CG 4.39Å; L1337-E1341 WeakPolarHBondContact O-CB 3.41Å; L1337-E1341 VanDerWaalsContact O-CG 3.3Å; L1337-E1341 WeakPolarHBondContact O-CG 3.19Å; L1337-E1341 PolarHBondContact O-N 3.15Å
1338K88.3Confident83.6Confident91 Ų9155.7 Ų55.740%0.39628%0.276SS..Hα-helixtrans-61.8-29.7175.6-173.8-178.4177.5-172.70112.5C1137 K1334 R1335 Q1336 S1342C1137-K1338 WeakPolarHBondContact SG-CE 3.33Å; K1334-K1338 WeakPolarHBondContact O-CB 3.44Å; K1334-K1338 PolarHBondContact O-N 3.47Å; R1335-K1338 PolarHBondContact O-N 3.4Å; Q1336-K1338 VanDerWaalsContact C-N 3.32Å; Q1336-K1338 PolarHBondContact O-N 2.81Å; K1338-S1342 PolarHBondContact O-N 3.41Å; K1338-S1342 PolarHBondContact O-OG 2.83Å
1339V87.4Confident81.9Confident9 Ų955.1 Ų55.16%0.05528%0.283CS..Hα-helixtrans-75.3-51.3173.2179.40000110.6I1267 R1271 L1274 R1335 Q1336 L1337 E1341 S1342 Y1343I1267-V1339 HydrophobicContact CG2-CG2 4.15Å; R1271-V1339 HydrophobicContact CG-CG1 3.73Å; L1274-V1339 HydrophobicContact CD1-CB 4.3Å; L1274-V1339 HydrophobicContact CD1-CG1 3.51Å; R1335-V1339 WeakPolarHBondContact O-CG2 3.35Å; R1335-V1339 PolarHBondContact O-N 3.23Å; Q1336-V1339 WeakPolarHBondContact O-CA 3.34Å; Q1336-V1339 WeakPolarHBondContact O-CB 3.32Å; Q1336-V1339 PolarHBondContact O-N 2.85Å; L1337-V1339 PolarHBondContact O-N 3.35Å; V1339-E1341 VanDerWaalsContact C-N 3.31Å; V1339-E1341 PolarHBondContact O-N 3.17Å; V1339-S1342 WeakPolarHBondContact CA-OG 3.23Å; V1339-S1342 WeakPolarHBondContact O-CA 3.25Å; V1339-S1342 WeakPolarHBondContact O-CB 3.43Å; V1339-S1342 PolarHBondContact O-N 2.88Å; V1339-S1342 PolarHBondContact O-OG 3.48Å; V1339-Y1343 HydrophobicContact CG1-CD2 3.87Å; V1339-Y1343 HydrophobicContact CG1-CE2 3.6Å; V1339-Y1343 WeakPolarHBondContact O-CD2 3.3Å; V1339-Y1343 PolarHBondContact O-N 3.44Å
1340V87.8Confident79.9Confident0 Ų055.8 Ų55.80%029%0.293CS..Hα-helixtrans-58.6-42.6178.8-175.20000111.4Y1270 L1274 E1285 K1286 Q1336 L1337 S1342 Y1343 L1344Y1270-V1340 HydrophobicContact CE1-CG2 3.92Å; Y1270-V1340 WeakPolarHBondContact OH-CG2 3.45Å; L1274-V1340 HydrophobicContact CD1-CG2 3.92Å; L1274-V1340 HydrophobicContact CD2-CG2 4Å; E1285-V1340 HydrophobicContact CG-CG2 4.43Å; K1286-V1340 HydrophobicContact CB-CG1 3.82Å; Q1336-V1340 PolarHBondContact O-N 3.09Å; L1337-V1340 PolarHBondContact O-N 3.46Å; V1340-S1342 VanDerWaalsContact C-N 3.25Å; V1340-S1342 PolarHBondContact O-N 3.08Å; V1340-Y1343 PolarHBondContact O-N 3.21Å; V1340-L1344 HydrophobicContact CG1-CD1 3.97Å; V1340-L1344 HydrophobicContact CG1-CG 4.45Å; V1340-L1344 WeakPolarHBondContact O-CG 3.39Å; V1340-L1344 PolarHBondContact O-N 3.19Å
1341E85.3Confident78Confident87 Ų8756.5 Ų56.541%0.40730%0.3SS..Hα-helixtrans-57.7-36.2172-74.2175.7171.500112.2L1337 V1339 I1345L1337-E1341 HydrophobicContact CD1-CG 4.43Å; L1337-E1341 HydrophobicContact CG-CG 4.39Å; L1337-E1341 WeakPolarHBondContact O-CB 3.41Å; L1337-E1341 VanDerWaalsContact O-CG 3.3Å; L1337-E1341 WeakPolarHBondContact O-CG 3.19Å; L1337-E1341 PolarHBondContact O-N 3.15Å; V1339-E1341 VanDerWaalsContact C-N 3.31Å; V1339-E1341 PolarHBondContact O-N 3.17Å; E1341-I1345 WeakPolarHBondContact O-CB 3.48Å; E1341-I1345 VanDerWaalsContact O-CD1 3.31Å; E1341-I1345 WeakPolarHBondContact O-CD1 2.93Å; E1341-I1345 WeakPolarHBondContact O-CG1 3.45Å; E1341-I1345 PolarHBondContact O-N 3.25Å; E1341-I1345 VanDerWaalsContact O-N 3.12Å
1342S82.9Confident76.3Confident46 Ų4656.6 Ų56.632%0.32230%0.299SS..Hα-helixtrans-74.9-28.3177.270.90000114.5K1338 V1339 V1340 N1346K1338-S1342 PolarHBondContact O-N 3.41Å; K1338-S1342 PolarHBondContact O-OG 2.83Å; V1339-S1342 WeakPolarHBondContact CA-OG 3.23Å; V1339-S1342 WeakPolarHBondContact O-CA 3.25Å; V1339-S1342 WeakPolarHBondContact O-CB 3.43Å; V1339-S1342 PolarHBondContact O-N 2.88Å; V1339-S1342 PolarHBondContact O-OG 3.48Å; V1340-S1342 VanDerWaalsContact C-N 3.25Å; V1340-S1342 PolarHBondContact O-N 3.08Å; S1342-N1346 VanDerWaalsContact O-CG 3.24Å; S1342-N1346 PolarHBondContact O-ND2 3.34Å; S1342-N1346 VanDerWaalsContact O-ND2 3.13Å
1343Y81.2Confident74.6Confident56 Ų5659 Ų5922%0.2231%0.312CS..Hα-helixtrans-71.2-47.8169.5-80.2-100.1000110R1271 L1274 C1275 V1339 V1340 I1345 N1346 L1347R1271-Y1343 PolarHBondContact O-OH 2.93Å; L1274-Y1343 HydrophobicContact CB-CD2 4.3Å; L1274-Y1343 HydrophobicContact CB-CE1 4.39Å; L1274-Y1343 HydrophobicContact CB-CE2 4.07Å; L1274-Y1343 HydrophobicContact CD1-CD2 4.05Å; L1274-Y1343 HydrophobicContact CD1-CE2 4.06Å; C1275-Y1343 PolarHBondContact SG-OH 2.96Å; V1339-Y1343 HydrophobicContact CG1-CD2 3.87Å; V1339-Y1343 HydrophobicContact CG1-CE2 3.6Å; V1339-Y1343 WeakPolarHBondContact O-CD2 3.3Å; V1339-Y1343 PolarHBondContact O-N 3.44Å; V1340-Y1343 PolarHBondContact O-N 3.21Å; Y1343-I1345 PolarHBondContact O-N 3.2Å; Y1343-I1345 VanDerWaalsContact O-N 3.17Å; Y1343-N1346 WeakPolarHBondContact O-CB 3.28Å; Y1343-N1346 PolarHBondContact O-N 3.25Å; Y1343-L1347 WeakPolarHBondContact O-CD1 3.38Å
1344L80.2Confident73Confident21 Ų2163.3 Ų63.311%0.1134%0.335CS..Hα-helixtrans-62.6-21.8179.9-71.2170.8000114.7L1282 K1286 V1340 N1346 L1347L1282-L1344 HydrophobicContact CB-CD2 3.89Å; L1282-L1344 HydrophobicContact CB-CG 4.45Å; K1286-L1344 HydrophobicContact CB-CD1 4.06Å; K1286-L1344 HydrophobicContact CD-CD1 3.41Å; K1286-L1344 VanDerWaalsContact CD-CD1 3.41Å; K1286-L1344 HydrophobicContact CG-CD1 4.34Å; V1340-L1344 HydrophobicContact CG1-CD1 3.97Å; V1340-L1344 HydrophobicContact CG1-CG 4.45Å; V1340-L1344 WeakPolarHBondContact O-CG 3.39Å; V1340-L1344 PolarHBondContact O-N 3.19Å; L1344-N1346 VanDerWaalsContact C-N 3.34Å; L1344-L1347 HydrophobicContact CD2-CD1 4.12Å
1345I74.9Confident71.4Confident101 Ų10159.9 Ų59.952%0.51832%0.321SS..THydrogen-bonded Turntrans-79-17.2173.6-75.7166.7000112.4S1132 E1341 Y1343S1132-I1345 WeakPolarHBondContact OG-CG2 3.45Å; E1341-I1345 WeakPolarHBondContact O-CB 3.48Å; E1341-I1345 VanDerWaalsContact O-CD1 3.31Å; E1341-I1345 WeakPolarHBondContact O-CD1 2.93Å; E1341-I1345 WeakPolarHBondContact O-CG1 3.45Å; E1341-I1345 PolarHBondContact O-N 3.25Å; E1341-I1345 VanDerWaalsContact O-N 3.12Å; Y1343-I1345 PolarHBondContact O-N 3.2Å; Y1343-I1345 VanDerWaalsContact O-N 3.17Å
1346N65.3Low69.7Low126 Ų12664 Ų6467%0.67434%0.336SS*.SBendtrans-100.6-1-175.6-65-15.6000114.2S1342 Y1343 L1344S1342-N1346 VanDerWaalsContact O-CG 3.24Å; S1342-N1346 PolarHBondContact O-ND2 3.34Å; S1342-N1346 VanDerWaalsContact O-ND2 3.13Å; Y1343-N1346 WeakPolarHBondContact O-CB 3.28Å; Y1343-N1346 PolarHBondContact O-N 3.25Å; L1344-N1346 VanDerWaalsContact C-N 3.34Å
1347L66.6Low67.9Low32 Ų3266 Ų6617%0.16835%0.348CS..SBendtrans-72.4157.4170.8-75.8102.4000111.3P1279 L1282 Y1343 L1344 D1351 L1352P1279-L1347 HydrophobicContact CB-CD2 3.51Å; P1279-L1347 HydrophobicContact CG-CD2 3.67Å; L1282-L1347 HydrophobicContact CD1-CD1 4.4Å; Y1343-L1347 WeakPolarHBondContact O-CD1 3.38Å; L1344-L1347 HydrophobicContact CD2-CD1 4.12Å; L1347-D1351 HydrophobicContact CB-CB 4.06Å; L1347-D1351 HydrophobicContact CD2-CB 3.66Å; L1347-D1351 HydrophobicContact CG-CB 4.47Å; L1347-L1352 HydrophobicContact CB-CG 4.5Å
1348S54.9Low66.2Low51 Ų5169.3 Ų69.336%0.35737%0.366SS..  trans-71.2161.8178.176.40000111.5S1350 D1351 L1352S1348-S1350 PolarHBondContact O-N 2.79Å; S1348-S1350 WeakPolarHBondContact OG-CB 3.32Å; S1348-S1350 PolarHBondContact OG-N 3.48Å; S1348-D1351 WeakPolarHBondContact CA-OD2 3.43Å; S1348-D1351 VanDerWaalsContact CB-OD2 3.26Å; S1348-D1351 WeakPolarHBondContact CB-OD2 3.46Å; S1348-D1351 PolarHBondContact N-OD2 2.9Å; S1348-D1351 PolarHBondContact O-N 3.07Å; S1348-D1351 PolarHBondContact OG-N 3.18Å; S1348-D1351 PolarHBondContact OG-OD2 3.4Å; S1348-L1352 PolarHBondContact O-N 3.31Å
1349S52.9Low64.7Low94 Ų9467.8 Ų67.866%0.65736%0.361SS*.Hα-helixtrans-59.6-30.3171.7-57.20000112.1L1352 I1353S1349-L1352 PolarHBondContact O-N 3.48Å; S1349-I1353 WeakPolarHBondContact O-CD1 3.38Å; S1349-I1353 VanDerWaalsContact O-CG1 3.23Å; S1349-I1353 WeakPolarHBondContact O-CG1 3.14Å; S1349-I1353 PolarHBondContact O-N 3.25Å
1350S50Low62.9Low75 Ų7572.2 Ų72.252%0.52439%0.385SS..Hα-helixtrans-65-48.5176.1-42.40000111.6S1348 L1352 I1353 N1354S1348-S1350 PolarHBondContact O-N 2.79Å; S1348-S1350 WeakPolarHBondContact OG-CB 3.32Å; S1348-S1350 PolarHBondContact OG-N 3.48Å; S1350-L1352 VanDerWaalsContact C-N 3.27Å; S1350-L1352 PolarHBondContact O-N 2.9Å; S1350-I1353 PolarHBondContact O-N 2.94Å; S1350-I1353 VanDerWaalsContact O-N 3.12Å; S1350-N1354 PolarHBondContact O-N 3.08Å; S1350-N1354 PolarHBondContact O-OD1 3.34Å
1351D51.6Low61.2Low55 Ų5577.4 Ų77.429%0.29442%0.416SS..Hα-helixtrans-62.8-37.6178.9-48.3-56.2000111.3L1347 S1348 I1353 I1355L1347-D1351 HydrophobicContact CB-CB 4.06Å; L1347-D1351 HydrophobicContact CD2-CB 3.66Å; L1347-D1351 HydrophobicContact CG-CB 4.47Å; S1348-D1351 WeakPolarHBondContact CA-OD2 3.43Å; S1348-D1351 VanDerWaalsContact CB-OD2 3.26Å; S1348-D1351 WeakPolarHBondContact CB-OD2 3.46Å; S1348-D1351 PolarHBondContact N-OD2 2.9Å; S1348-D1351 PolarHBondContact O-N 3.07Å; S1348-D1351 PolarHBondContact OG-N 3.18Å; S1348-D1351 PolarHBondContact OG-OD2 3.4Å; D1351-I1353 VanDerWaalsContact C-N 3.32Å; D1351-I1355 WeakPolarHBondContact O-CB 3.33Å; D1351-I1355 WeakPolarHBondContact O-CD1 3.31Å; D1351-I1355 WeakPolarHBondContact O-CG1 3.48Å; D1351-I1355 PolarHBondContact O-N 2.98Å
1352L53.3Low58.9Low85 Ų8581.8 Ų81.845%0.44544%0.443SS..Hα-helixtrans-73.2-21.2177.7-71.2169.3000113.5L1347 S1348 S1349 S1350 R1356L1347-L1352 HydrophobicContact CB-CG 4.5Å; S1348-L1352 PolarHBondContact O-N 3.31Å; S1349-L1352 PolarHBondContact O-N 3.48Å; S1350-L1352 VanDerWaalsContact C-N 3.27Å; S1350-L1352 PolarHBondContact O-N 2.9Å; L1352-R1356 WeakPolarHBondContact O-CB 3.46Å; L1352-R1356 PolarHBondContact O-N 2.92Å
1353I55.2Low57.7Low95 Ų9583.6 Ų83.649%0.48745%0.449SS..Hα-helixtrans-80.3-48.8170.3-72.4163.5000109.4S1349 S1350 D1351 I1355 R1356 D1357S1349-I1353 WeakPolarHBondContact O-CD1 3.38Å; S1349-I1353 VanDerWaalsContact O-CG1 3.23Å; S1349-I1353 WeakPolarHBondContact O-CG1 3.14Å; S1349-I1353 PolarHBondContact O-N 3.25Å; S1350-I1353 PolarHBondContact O-N 2.94Å; S1350-I1353 VanDerWaalsContact O-N 3.12Å; D1351-I1353 VanDerWaalsContact C-N 3.32Å; I1353-I1355 PolarHBondContact O-N 3.36Å; I1353-R1356 CarbonylContact O-C 3.51Å; I1353-R1356 WeakPolarHBondContact O-CA 3.27Å; I1353-R1356 VanDerWaalsContact O-CB 3.26Å; I1353-R1356 WeakPolarHBondContact O-CB 3.41Å; I1353-R1356 PolarHBondContact O-N 3.4Å; I1353-D1357 WeakPolarHBondContact CG2-OD2 3.3Å; I1353-D1357 PolarHBondContact O-N 2.99Å
1354N56Low56.5Low95 Ų9585.1 Ų85.151%0.50846%0.461SS..Hα-helixtrans-56.1-47.9176.5-67.52000111.6S1350 R1356 D1357 D1358S1350-N1354 PolarHBondContact O-N 3.08Å; S1350-N1354 PolarHBondContact O-OD1 3.34Å; N1354-R1356 PolarHBondContact O-N 2.91Å; N1354-D1357 PolarHBondContact O-N 3.4Å; N1354-D1358 WeakPolarHBondContact O-CB 3.29Å; N1354-D1358 VanDerWaalsContact O-CG 3.22Å; N1354-D1358 PolarHBondContact O-N 2.94Å
1355I54.9Low55.2Low18 Ų1888.6 Ų88.69%0.09248%0.481CS..Hα-helixtrans-61.3-29.6173.9-66.2164000112P1279 D1351 I1353 I1359P1279-I1355 HydrophobicContact CB-CD1 3.77Å; P1279-I1355 HydrophobicContact CB-CG1 4.4Å; D1351-I1355 WeakPolarHBondContact O-CB 3.33Å; D1351-I1355 WeakPolarHBondContact O-CD1 3.31Å; D1351-I1355 WeakPolarHBondContact O-CG1 3.48Å; D1351-I1355 PolarHBondContact O-N 2.98Å; I1353-I1355 PolarHBondContact O-N 3.36Å; I1355-I1359 HydrophobicContact CG2-CD1 3.77Å; I1355-I1359 VanDerWaalsContact O-CB 3.3Å; I1355-I1359 WeakPolarHBondContact O-CB 3.46Å; I1355-I1359 VanDerWaalsContact O-CD1 3.27Å; I1355-I1359 WeakPolarHBondContact O-CD1 3.47Å; I1355-I1359 WeakPolarHBondContact O-CG1 3.47Å; I1355-I1359 PolarHBondContact O-N 3.21Å
1356R54.2Low54Low162 Ų16287.9 Ų87.961%0.61148%0.478SS*.Hα-helixtrans-73.1-40.8177.6-173.167.7-163.6-134.65.4111.3L1352 I1353 N1354 I1359 N1360L1352-R1356 WeakPolarHBondContact O-CB 3.46Å; L1352-R1356 PolarHBondContact O-N 2.92Å; I1353-R1356 CarbonylContact O-C 3.51Å; I1353-R1356 WeakPolarHBondContact O-CA 3.27Å; I1353-R1356 VanDerWaalsContact O-CB 3.26Å; I1353-R1356 WeakPolarHBondContact O-CB 3.41Å; I1353-R1356 PolarHBondContact O-N 3.4Å; N1354-R1356 PolarHBondContact O-N 2.91Å; R1356-I1359 PolarHBondContact O-N 2.86Å; R1356-N1360 PolarHBondContact O-N 3.17Å; R1356-N1360 VanDerWaalsContact O-N 3.15Å; R1356-N1360 PolarHBondContact O-ND2 3.31Å; R1356-N1360 VanDerWaalsContact O-ND2 3.09Å; R1356-N1360 PolarHBondContact O-OD1 2.61Å
1357D53.4Low53.3Low78 Ų7885.5 Ų85.542%0.41747%0.466SS..Hα-helixtrans-78-39.6-177.8-63.3-29.1000110.9I1353 N1354 I1359 N1360 T1361I1353-D1357 WeakPolarHBondContact CG2-OD2 3.3Å; I1353-D1357 PolarHBondContact O-N 2.99Å; N1354-D1357 PolarHBondContact O-N 3.4Å; D1357-I1359 PolarHBondContact O-N 2.79Å; D1357-I1359 VanDerWaalsContact O-N 3.17Å; D1357-N1360 CarbonylContact O-C 3.58Å; D1357-N1360 WeakPolarHBondContact O-CA 3.38Å; D1357-N1360 WeakPolarHBondContact O-CB 3.4Å; D1357-N1360 PolarHBondContact O-N 3.4Å; D1357-N1360 PolarHBondContact OD1-ND2 3.04Å; D1357-T1361 WeakPolarHBondContact O-CG2 3.28Å; D1357-T1361 PolarHBondContact O-N 3.29Å; D1357-T1361 PolarHBondContact O-OG1 2.82Å
1358D53.8Low52.4Low78 Ų7889.1 Ų89.142%0.41749%0.486SS..Hα-helixtrans-56.5-29.4168.4-71.9-27.4000112.7N1354 T1361 N1362N1354-D1358 WeakPolarHBondContact O-CB 3.29Å; N1354-D1358 VanDerWaalsContact O-CG 3.22Å; N1354-D1358 PolarHBondContact O-N 2.94Å; D1358-T1361 WeakPolarHBondContact CA-OG1 3.17Å; D1358-T1361 PolarHBondContact O-OG1 2.81Å; D1358-N1362 PolarHBondContact O-N 3.18Å; D1358-N1362 PolarHBondContact O-ND2 3.12Å
1359I56.3Low52.3Low59 Ų5991.8 Ų91.830%0.30350%0.495SS..THydrogen-bonded Turntrans-89.2-8.8175.6-70.1172.9000112.4Y1283 I1355 R1356 D1357Y1283-I1359 HydrophobicContact CD1-CD1 4.14Å; Y1283-I1359 HydrophobicContact CE1-CD1 3.59Å; Y1283-I1359 HydrophobicContact CE2-CD1 4.21Å; I1355-I1359 HydrophobicContact CG2-CD1 3.77Å; I1355-I1359 VanDerWaalsContact O-CB 3.3Å; I1355-I1359 WeakPolarHBondContact O-CB 3.46Å; I1355-I1359 VanDerWaalsContact O-CD1 3.27Å; I1355-I1359 WeakPolarHBondContact O-CD1 3.47Å; I1355-I1359 WeakPolarHBondContact O-CG1 3.47Å; I1355-I1359 PolarHBondContact O-N 3.21Å; R1356-I1359 PolarHBondContact O-N 2.86Å; D1357-I1359 PolarHBondContact O-N 2.79Å; D1357-I1359 VanDerWaalsContact O-N 3.17Å
1360N50.5Low52.2Low102 Ų10291.6 Ų91.655%0.54548%0.483SS..THydrogen-bonded Turntrans-96.5-17.1169.1-61-35.4000111.9R1356 D1357R1356-N1360 PolarHBondContact O-N 3.17Å; R1356-N1360 VanDerWaalsContact O-N 3.15Å; R1356-N1360 PolarHBondContact O-ND2 3.31Å; R1356-N1360 VanDerWaalsContact O-ND2 3.09Å; R1356-N1360 PolarHBondContact O-OD1 2.61Å; D1357-N1360 CarbonylContact O-C 3.58Å; D1357-N1360 WeakPolarHBondContact O-CA 3.38Å; D1357-N1360 WeakPolarHBondContact O-CB 3.4Å; D1357-N1360 PolarHBondContact O-N 3.4Å; D1357-N1360 PolarHBondContact OD1-ND2 3.04Å
1361T51.7Low52.4Low109 Ų10993 Ų9367%0.66948%0.479SS*.  trans-101.3-5.9178.458.70000114.7D1357 D1358D1357-T1361 WeakPolarHBondContact O-CG2 3.28Å; D1357-T1361 PolarHBondContact O-N 3.29Å; D1357-T1361 PolarHBondContact O-OG1 2.82Å; D1358-T1361 WeakPolarHBondContact CA-OG1 3.17Å; D1358-T1361 PolarHBondContact O-OG1 2.81Å
1362N37.9Very low52.5Low180 Ų18096.5 Ų96.596%0.96350%0.496SS*.  trans-1220173.4-68.2-89.6000110.6D1358D1358-N1362 PolarHBondContact O-N 3.18Å; D1358-N1362 PolarHBondContact O-ND2 3.12Å

Retrieved 1,362 of 1,362 residues in 269.2 ms (Link to these results)

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