A0A096MY24_PAPAN Loading...

La-related protein 7

AlphaFold DB , UniProt , Accession A0A096MY24, Species PAPAN (Papio anubis, Olive baboon), Gene LARP7, Length 589 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
1I39.7Very low48Very low223 Ų223149.9 Ų149.9100%1.14485%0.851SS**  0125.60-61.1171.4000106.8
2I38.4Very low48.4Very low163 Ų163145.2 Ų145.284%0.83683%0.834SS**  trans-129123.6177.2-62.7170000106.6
3P53.5Low48.6Very low117 Ų117137.5 Ų137.576%0.7681%0.806SS**  trans-77.6150.5176.632-33.6000111.4
4N43.4Very low48.9Very low159 Ų159135.7 Ų135.785%0.8579%0.792SS**  trans-88.7142-174.4-166.213.4000111.7
5I48.3Very low49.1Very low168 Ų168135.8 Ų135.886%0.86278%0.781SS**  trans-105.7122.6173.1-65168.1000108.3
6G47.8Very low49.6Very low73 Ų73136.8 Ų136.875%0.75377%0.774SS**  trans-160.8132.1178.400000115.5
7G48.8Very low50Low77 Ų77136.4 Ų136.479%0.79476%0.762SS**  trans90.387.8151.300000118.4
8M50.8Low50.5Low195 Ų195133.7 Ų133.796%0.96175%0.749SS**  trans-146.256.5161.6-86.3-161.3160.300113.2
9E50.9Low51Low189 Ų189133.8 Ų133.888%0.88375%0.745SS**  trans-141.872.5175.6-69.9-159140.700114
10T53.8Low51.5Low127 Ų127134.1 Ų134.178%0.77974%0.74SS**SBendtrans-141.5-28.1175.2490000117.5
11E52.9Low52.1Low158 Ų158133.2 Ų133.274%0.73873%0.73SS**Hα-helixtrans-75-34.3-171-66.5-161.1114.400115.2G13 N14E11-G13 VanDerWaalsContact C-N 3.29Å; E11-G13 PolarHBondContact O-N 3.24Å; E11-N14 PolarHBondContact O-N 3.27Å
12S52.2Low53.3Low93 Ų93127.3 Ų127.365%0.6570%0.698SS**Hα-helixtrans-70.4-20.5-169.760.10000114.5
13G51.3Low54.8Low46 Ų46121.5 Ų121.547%0.47467%0.672SS.*Hα-helixtrans-74.4-35.7174.100000113.3E11 K17E11-G13 VanDerWaalsContact C-N 3.29Å; E11-G13 PolarHBondContact O-N 3.24Å; G13-K17 PolarHBondContact O-N 3.32Å
14N52.2Low55.8Low112 Ų112118.4 Ų118.460%0.59965%0.651SS**Hα-helixtrans-72.4-41.4-172.4-15821.1000111.7E11 K16 K17 V18E11-N14 PolarHBondContact O-N 3.27Å; N14-K16 PolarHBondContact O-N 3.27Å; N14-K17 PolarHBondContact O-N 3.02Å; N14-V18 WeakPolarHBondContact O-CG2 3.5Å; N14-V18 PolarHBondContact O-N 3.1Å; N14-V18 VanDerWaalsContact O-N 3.1Å
15Q53.1Low57.5Low137 Ų137117 Ų11764%0.6464%0.639SS**Hα-helixtrans-62-40.3177.5-64.4-173.73.200112.6K17 M19Q15-K17 PolarHBondContact O-N 2.92Å; Q15-M19 WeakPolarHBondContact O-CB 3.49Å; Q15-M19 WeakPolarHBondContact O-CG 3.3Å; Q15-M19 PolarHBondContact O-N 3.48Å
16K55.8Low58.8Low152 Ų152114.1 Ų114.166%0.66162%0.62SS**Hα-helixtrans-60.1-44.8175-75.2-179.2177.5175.60111.6N14 M19 E20N14-K16 PolarHBondContact O-N 3.27Å; K16-M19 PolarHBondContact O-N 3.22Å; K16-E20 PolarHBondContact O-N 3.5Å
17K56.6Low60.2Low130 Ų130117 Ų11757%0.56561%0.612SS**Hα-helixtrans-63.1-45.3-178.4-151.5175.6-174-177.80112G13 N14 Q15 M19 E20 E21G13-K17 PolarHBondContact O-N 3.32Å; N14-K17 PolarHBondContact O-N 3.02Å; Q15-K17 PolarHBondContact O-N 2.92Å; K17-M19 PolarHBondContact O-N 3.43Å; K17-E20 PolarHBondContact O-N 3.48Å; K17-E21 WeakPolarHBondContact O-CG 3.37Å; K17-E21 PolarHBondContact O-N 2.99Å
18V59.6Low61.8Low87 Ų87118.7 Ų118.753%0.52760%0.598SS.*Hα-helixtrans-62.7-41.81751750000111.6N14 E21 E22N14-V18 WeakPolarHBondContact O-CG2 3.5Å; N14-V18 PolarHBondContact O-N 3.1Å; N14-V18 VanDerWaalsContact O-N 3.1Å; V18-E21 PolarHBondContact O-N 3.29Å; V18-E22 WeakPolarHBondContact O-CB 3.41Å; V18-E22 PolarHBondContact O-N 3.12Å
19M59.4Low63.4Low137 Ų137113.9 Ų113.968%0.67557%0.573SS**Hα-helixtrans-64.3-38.3175.6-75.9-179.863.300112.9Q15 K16 K17 S23Q15-M19 WeakPolarHBondContact O-CB 3.49Å; Q15-M19 WeakPolarHBondContact O-CG 3.3Å; Q15-M19 PolarHBondContact O-N 3.48Å; K16-M19 PolarHBondContact O-N 3.22Å; K17-M19 PolarHBondContact O-N 3.43Å; M19-S23 WeakPolarHBondContact O-CB 3.37Å; M19-S23 PolarHBondContact O-N 2.72Å; M19-S23 VanDerWaalsContact O-N 3.12Å
20E62Low65Low138 Ų138108.3 Ų108.365%0.64555%0.552SS**Hα-helixtrans-65.6-49.4174.9-76.5-160.3111.700111.7K16 K17 E22 S23 T24K16-E20 PolarHBondContact O-N 3.5Å; K17-E20 PolarHBondContact O-N 3.48Å; E20-E22 PolarHBondContact O-N 2.99Å; E20-S23 WeakPolarHBondContact O-CA 3.43Å; E20-S23 VanDerWaalsContact O-CB 3.3Å; E20-S23 WeakPolarHBondContact O-CB 3.44Å; E20-S23 PolarHBondContact O-N 3.05Å; E20-S23 PolarHBondContact O-OG 3.13Å; E20-T24 WeakPolarHBondContact O-CG2 3.49Å; E20-T24 PolarHBondContact O-N 3.46Å
21E63.1Low66.4Low116 Ų116108.2 Ų108.254%0.54254%0.542SS..Hα-helixtrans-57.3-49.8179.8-75.5-178.4171.100111.6K17 V18 S23 T24 E25K17-E21 WeakPolarHBondContact O-CG 3.37Å; K17-E21 PolarHBondContact O-N 2.99Å; V18-E21 PolarHBondContact O-N 3.29Å; E21-S23 PolarHBondContact O-N 3.04Å; E21-T24 WeakPolarHBondContact O-CA 3.27Å; E21-T24 PolarHBondContact O-N 3.36Å; E21-T24 PolarHBondContact O-OG1 2.98Å; E21-E25 WeakPolarHBondContact O-CG 3.21Å; E21-E25 PolarHBondContact O-N 3.02Å
22E64.8Low67.9Low100 Ų100107.9 Ų107.947%0.46754%0.539SS..Hα-helixtrans-60.3-33176.6-155.5-146.4-178.700111.7V18 E20 K26V18-E22 WeakPolarHBondContact O-CB 3.41Å; V18-E22 PolarHBondContact O-N 3.12Å; E20-E22 PolarHBondContact O-N 2.99Å; E22-K26 WeakPolarHBondContact O-CD 3.38Å; E22-K26 VanDerWaalsContact O-CG 3.27Å; E22-K26 WeakPolarHBondContact O-CG 3.27Å; E22-K26 PolarHBondContact O-N 2.63Å; E22-K26 VanDerWaalsContact O-N 3.1Å; E22-K26 WeakPolarHBondContact OE1-CE 3.42Å; E22-K26 IonicContact OE1-NZ 3.17Å; E22-K26 PolarHBondContact OE1-NZ 3.27Å; E22-K26 IonicContact OE2-NZ 2.69Å; E22-K26 PolarHBondContact OE2-NZ 3.1Å
23S70.4Confident69.6Low41 Ų41108.5 Ų108.529%0.28753%0.529SS..Hα-helixtrans-67.3-36.4171.9950000112.6M19 E20 E21 K27M19-S23 WeakPolarHBondContact O-CB 3.37Å; M19-S23 PolarHBondContact O-N 2.72Å; M19-S23 VanDerWaalsContact O-N 3.12Å; E20-S23 WeakPolarHBondContact O-CA 3.43Å; E20-S23 VanDerWaalsContact O-CB 3.3Å; E20-S23 WeakPolarHBondContact O-CB 3.44Å; E20-S23 PolarHBondContact O-N 3.05Å; E20-S23 PolarHBondContact O-OG 3.13Å; E21-S23 PolarHBondContact O-N 3.04Å; S23-K27 WeakPolarHBondContact O-CD 3.14Å; S23-K27 VanDerWaalsContact O-CG 3.27Å; S23-K27 WeakPolarHBondContact O-CG 3.46Å; S23-K27 PolarHBondContact O-N 2.68Å; S23-K27 VanDerWaalsContact O-N 3.13Å
24T75.6Confident71.3Confident51 Ų51112.4 Ų112.431%0.31353%0.533SS..Hα-helixtrans-70.9-37.2176.680.50000111.5E20 E21 K27 K28E20-T24 WeakPolarHBondContact O-CG2 3.49Å; E20-T24 PolarHBondContact O-N 3.46Å; E21-T24 WeakPolarHBondContact O-CA 3.27Å; E21-T24 PolarHBondContact O-N 3.36Å; E21-T24 PolarHBondContact O-OG1 2.98Å; T24-K27 PolarHBondContact O-N 3.08Å; T24-K28 WeakPolarHBondContact O-CB 3.46Å; T24-K28 WeakPolarHBondContact O-CD 3.38Å; T24-K28 WeakPolarHBondContact O-CG 3.47Å; T24-K28 PolarHBondContact O-N 3.32Å; T24-K28 PolarHBondContact OG1-NZ 2.86Å
25E78.6Confident72.9Confident130 Ų130117 Ų11761%0.60754%0.542SS*.Hα-helixtrans-63.5-46.9176.3-65.3-133.5114.900111.3E21 K27 K28 E29E21-E25 WeakPolarHBondContact O-CG 3.21Å; E21-E25 PolarHBondContact O-N 3.02Å; E25-K27 VanDerWaalsContact C-N 3.3Å; E25-K27 PolarHBondContact O-N 2.82Å; E25-K28 PolarHBondContact O-N 2.89Å; E25-E29 WeakPolarHBondContact O-CB 3.4Å; E25-E29 PolarHBondContact O-N 2.92Å
26K74.4Confident74.7Confident107 Ų107113.7 Ų113.747%0.46553%0.534SS..Hα-helixtrans-58.7-40.1174.8-71.3165.2-176.7173.70112E22 V30E22-K26 WeakPolarHBondContact O-CD 3.38Å; E22-K26 VanDerWaalsContact O-CG 3.27Å; E22-K26 WeakPolarHBondContact O-CG 3.27Å; E22-K26 PolarHBondContact O-N 2.63Å; E22-K26 VanDerWaalsContact O-N 3.1Å; E22-K26 WeakPolarHBondContact OE1-CE 3.42Å; E22-K26 IonicContact OE1-NZ 3.17Å; E22-K26 PolarHBondContact OE1-NZ 3.27Å; E22-K26 IonicContact OE2-NZ 2.69Å; E22-K26 PolarHBondContact OE2-NZ 3.1Å; K26-V30 WeakPolarHBondContact O-CG2 3.39Å; K26-V30 PolarHBondContact O-N 3.01Å; K26-V30 VanDerWaalsContact O-N 3.08Å
27K78.2Confident76.3Confident135 Ų135115.7 Ų115.759%0.58754%0.538SS*.Hα-helixtrans-62.4-52.2172.4-71.1162-175.4161.10111.5S23 T24 E25 E29 V30 E31S23-K27 WeakPolarHBondContact O-CD 3.14Å; S23-K27 VanDerWaalsContact O-CG 3.27Å; S23-K27 WeakPolarHBondContact O-CG 3.46Å; S23-K27 PolarHBondContact O-N 2.68Å; S23-K27 VanDerWaalsContact O-N 3.13Å; T24-K27 PolarHBondContact O-N 3.08Å; E25-K27 VanDerWaalsContact C-N 3.3Å; E25-K27 PolarHBondContact O-N 2.82Å; K27-E29 VanDerWaalsContact C-N 3.28Å; K27-E29 PolarHBondContact O-N 3.18Å; K27-V30 PolarHBondContact O-N 2.89Å; K27-E31 PolarHBondContact O-N 3.34Å
28K82.6Confident78Confident112 Ų112112.8 Ų112.849%0.48753%0.531SS..Hα-helixtrans-56.9-38.6177.4-69.7158.3-177159.30112T24 E25 E31 K32T24-K28 WeakPolarHBondContact O-CB 3.46Å; T24-K28 WeakPolarHBondContact O-CD 3.38Å; T24-K28 WeakPolarHBondContact O-CG 3.47Å; T24-K28 PolarHBondContact O-N 3.32Å; T24-K28 PolarHBondContact OG1-NZ 2.86Å; E25-K28 PolarHBondContact O-N 2.89Å; K28-E31 PolarHBondContact O-N 3.43Å; K28-K32 VanDerWaalsContact O-CG 3.3Å; K28-K32 WeakPolarHBondContact O-CG 3.37Å; K28-K32 PolarHBondContact O-N 3.22Å
29E84.6Confident79.7Confident94 Ų94116.3 Ų116.344%0.43954%0.539SS..Hα-helixtrans-70.9-40.5179.2-158.1-132.9-176.500112.3E25 K27 E31 K32 K33E25-E29 WeakPolarHBondContact O-CB 3.4Å; E25-E29 PolarHBondContact O-N 2.92Å; K27-E29 VanDerWaalsContact C-N 3.28Å; K27-E29 PolarHBondContact O-N 3.18Å; E29-E31 VanDerWaalsContact C-N 3.32Å; E29-E31 PolarHBondContact O-N 3.01Å; E29-K32 PolarHBondContact O-N 3.3Å; E29-K33 WeakPolarHBondContact O-CG 3.45Å; E29-K33 PolarHBondContact O-N 3.41Å; E29-K33 WeakPolarHBondContact OE1-CE 3.47Å; E29-K33 IonicContact OE1-NZ 3.05Å; E29-K33 PolarHBondContact OE1-NZ 3.05Å; E29-K33 WeakPolarHBondContact OE2-CE 3.45Å; E29-K33 IonicContact OE2-NZ 3.74Å; E29-K33 PolarHBondContact OE2-NZ 2.64Å
30V82.9Confident81.3Confident72 Ų72115 Ų11544%0.43653%0.531SS..Hα-helixtrans-62.3-38.6171.9167.80000111.4K26 K27 K33 K34K26-V30 WeakPolarHBondContact O-CG2 3.39Å; K26-V30 PolarHBondContact O-N 3.01Å; K26-V30 VanDerWaalsContact O-N 3.08Å; K27-V30 PolarHBondContact O-N 2.89Å; V30-K33 PolarHBondContact O-N 3.34Å; V30-K34 HydrophobicContact CG1-CD 4.43Å; V30-K34 WeakPolarHBondContact O-CG 3.35Å; V30-K34 PolarHBondContact O-N 2.94Å
31E84.1Confident82.8Confident125 Ų125110.7 Ų110.758%0.58451%0.514SS*.Hα-helixtrans-69.6-40.2174.8-67.8-161.6143.400113.3K27 K28 E29 K33 K34 R35K27-E31 PolarHBondContact O-N 3.34Å; K28-E31 PolarHBondContact O-N 3.43Å; E29-E31 VanDerWaalsContact C-N 3.32Å; E29-E31 PolarHBondContact O-N 3.01Å; E31-K33 VanDerWaalsContact C-N 3.27Å; E31-K33 PolarHBondContact O-N 2.86Å; E31-K34 PolarHBondContact O-N 2.66Å; E31-K34 VanDerWaalsContact O-N 3.16Å; E31-R35 WeakPolarHBondContact O-CB 3.3Å; E31-R35 PolarHBondContact O-N 3.47Å
32K85.6Confident84.3Confident151 Ų151106.9 Ų106.966%0.65750%0.497SS*.Hα-helixtrans-55.6-42.9169.6-73.5169.2-177.8177.70110.9K28 E29 R35 S36K28-K32 VanDerWaalsContact O-CG 3.3Å; K28-K32 WeakPolarHBondContact O-CG 3.37Å; K28-K32 PolarHBondContact O-N 3.22Å; E29-K32 PolarHBondContact O-N 3.3Å; K32-R35 PolarHBondContact O-N 3.36Å; K32-S36 PolarHBondContact O-N 2.98Å; K32-S36 PolarHBondContact O-OG 2.82Å
33K86.8Confident85.8Confident105 Ų105104.6 Ų104.646%0.45750%0.496SS..Hα-helixtrans-67.6-34.8175.6-72167.3179.1169.60113.7E29 V30 E31 S36 R37E29-K33 WeakPolarHBondContact O-CG 3.45Å; E29-K33 PolarHBondContact O-N 3.41Å; E29-K33 WeakPolarHBondContact OE1-CE 3.47Å; E29-K33 IonicContact OE1-NZ 3.05Å; E29-K33 PolarHBondContact OE1-NZ 3.05Å; E29-K33 WeakPolarHBondContact OE2-CE 3.45Å; E29-K33 IonicContact OE2-NZ 3.74Å; E29-K33 PolarHBondContact OE2-NZ 2.64Å; V30-K33 PolarHBondContact O-N 3.34Å; E31-K33 VanDerWaalsContact C-N 3.27Å; E31-K33 PolarHBondContact O-N 2.86Å; K33-S36 PolarHBondContact O-OG 2.83Å; K33-S36 VanDerWaalsContact O-OG 3.12Å; K33-R37 WeakPolarHBondContact O-CG 3.38Å; K33-R37 PolarHBondContact O-N 3.22Å
34K86Confident86.9Confident129 Ų129105.4 Ų105.456%0.56150%0.497SS*.Hα-helixtrans-66.3-48.2170.7-72.3170.1-179.7175.10110.7V30 E31 S36 R37 V38V30-K34 HydrophobicContact CG1-CD 4.43Å; V30-K34 WeakPolarHBondContact O-CG 3.35Å; V30-K34 PolarHBondContact O-N 2.94Å; E31-K34 PolarHBondContact O-N 2.66Å; E31-K34 VanDerWaalsContact O-N 3.16Å; K34-S36 PolarHBondContact O-N 3.16Å; K34-R37 PolarHBondContact O-N 2.96Å; K34-V38 WeakPolarHBondContact O-CG2 3.07Å; K34-V38 PolarHBondContact O-N 3.45Å
35R86.7Confident87.8Confident208 Ų208103 Ų10379%0.78548%0.482SS*.Hα-helixtrans-62.8-39.2-179.2-170.3175.6-179.3-178.9-0.2112.3E31 K32 V38 K39E31-R35 WeakPolarHBondContact O-CB 3.3Å; E31-R35 PolarHBondContact O-N 3.47Å; K32-R35 PolarHBondContact O-N 3.36Å; R35-V38 PolarHBondContact O-N 3.26Å; R35-K39 WeakPolarHBondContact O-CB 3.44Å; R35-K39 PolarHBondContact O-N 3.47Å
36S90.9Very high88.6Confident68 Ų6897.6 Ų97.648%0.47646%0.459SS..Hα-helixtrans-68-41.6175.465.20000112.5K32 K33 K34 V38 K39 Q40K32-S36 PolarHBondContact O-N 2.98Å; K32-S36 PolarHBondContact O-OG 2.82Å; K33-S36 PolarHBondContact O-OG 2.83Å; K33-S36 VanDerWaalsContact O-OG 3.12Å; K34-S36 PolarHBondContact O-N 3.16Å; S36-V38 PolarHBondContact O-N 3.12Å; S36-K39 PolarHBondContact O-N 3.48Å; S36-Q40 PolarHBondContact O-N 3.48Å
37R90.5Very high89.5Confident194 Ų19498.5 Ų98.573%0.73246%0.463SS*.Hα-helixtrans-60.9-42.7173.1-73.5178.668.9-175.20.7112.3K33 K34 Q40 V41K33-R37 WeakPolarHBondContact O-CG 3.38Å; K33-R37 PolarHBondContact O-N 3.22Å; K34-R37 PolarHBondContact O-N 2.96Å; R37-Q40 PolarHBondContact O-N 3.39Å; R37-V41 WeakPolarHBondContact O-CG2 3.35Å; R37-V41 PolarHBondContact O-N 3.29Å
38V91.8Very high90.3Very high69 Ų6993.3 Ų93.342%0.41844%0.441SS..Hα-helixtrans-65.9-39.6175.3173.80000111.5K34 R35 S36 Q40 V41 L42K34-V38 WeakPolarHBondContact O-CG2 3.07Å; K34-V38 PolarHBondContact O-N 3.45Å; R35-V38 PolarHBondContact O-N 3.26Å; S36-V38 PolarHBondContact O-N 3.12Å; V38-Q40 VanDerWaalsContact C-N 3.33Å; V38-Q40 PolarHBondContact O-N 2.92Å; V38-V41 PolarHBondContact O-N 3.33Å; V38-L42 HydrophobicContact CG1-CD1 4.11Å; V38-L42 VanDerWaalsContact O-CG 3.32Å; V38-L42 WeakPolarHBondContact O-CG 3.32Å; V38-L42 PolarHBondContact O-N 2.91Å
39K93.8Very high90.9Very high160 Ų16088 Ų8870%0.69642%0.418SS*.Hα-helixtrans-60.1-42.2173.3-174-178177.4-175.50111.5R35 S36 L42 A43R35-K39 WeakPolarHBondContact O-CB 3.44Å; R35-K39 PolarHBondContact O-N 3.47Å; S36-K39 PolarHBondContact O-N 3.48Å; K39-L42 PolarHBondContact O-N 3.2Å; K39-A43 PolarHBondContact O-N 3.02Å
40Q93.4Very high91.4Very high110 Ų11085.2 Ų85.251%0.51441%0.406SS..Hα-helixtrans-63.8-48.9177-170.361.84800111.5S36 R37 V38 L42 A43 D44S36-Q40 PolarHBondContact O-N 3.48Å; R37-Q40 PolarHBondContact O-N 3.39Å; V38-Q40 VanDerWaalsContact C-N 3.33Å; V38-Q40 PolarHBondContact O-N 2.92Å; Q40-L42 VanDerWaalsContact C-N 3.3Å; Q40-L42 PolarHBondContact O-N 3.13Å; Q40-A43 CarbonylContact O-C 3.58Å; Q40-A43 WeakPolarHBondContact O-CA 3.44Å; Q40-A43 WeakPolarHBondContact O-CB 3.45Å; Q40-A43 PolarHBondContact O-N 3.4Å; Q40-D44 PolarHBondContact NE2-OD1 3.26Å; Q40-D44 PolarHBondContact O-N 3.38Å
41V94.3Very high91.9Very high47 Ų4784.6 Ų84.629%0.28540%0.398SS..Hα-helixtrans-58.8-40.1177.9171.40000111.9R37 V38 D44 I45 L96R37-V41 WeakPolarHBondContact O-CG2 3.35Å; R37-V41 PolarHBondContact O-N 3.29Å; V38-V41 PolarHBondContact O-N 3.33Å; V41-D44 PolarHBondContact O-N 2.9Å; V41-I45 HydrophobicContact CG1-CD1 3.77Å; V41-I45 HydrophobicContact CG1-CG1 4.44Å; V41-I45 WeakPolarHBondContact O-CB 3.24Å; V41-I45 WeakPolarHBondContact O-CD1 3.38Å; V41-I45 WeakPolarHBondContact O-CG1 3.45Å; V41-I45 PolarHBondContact O-N 3.34Å; V41-L96 HydrophobicContact CG1-CD2 4.49Å
42L95.1Very high92.4Very high37 Ų3779.7 Ų79.719%0.19437%0.374CS..Hα-helixtrans-63.4-40.5174.1-69.6168.4000112.2V38 K39 Q40 A46 L96 A100V38-L42 HydrophobicContact CG1-CD1 4.11Å; V38-L42 VanDerWaalsContact O-CG 3.32Å; V38-L42 WeakPolarHBondContact O-CG 3.32Å; V38-L42 PolarHBondContact O-N 2.91Å; K39-L42 PolarHBondContact O-N 3.2Å; Q40-L42 VanDerWaalsContact C-N 3.3Å; Q40-L42 PolarHBondContact O-N 3.13Å; L42-A46 WeakPolarHBondContact O-CB 3.45Å; L42-A46 PolarHBondContact O-N 3.06Å; L42-L96 HydrophobicContact CD2-CD2 3.59Å; L42-L96 HydrophobicContact CD2-CG 4.17Å; L42-L96 HydrophobicContact CG-CD2 4.48Å; L42-A100 HydrophobicContact CB-CB 4.4Å; L42-A100 HydrophobicContact CD2-CB 3.83Å
43A94.9Very high92.8Very high52 Ų5272.5 Ų72.543%0.4334%0.343SS..Hα-helixtrans-68.4-39.5176.300000112.6K39 Q40 A46 K47K39-A43 PolarHBondContact O-N 3.02Å; Q40-A43 CarbonylContact O-C 3.58Å; Q40-A43 WeakPolarHBondContact O-CA 3.44Å; Q40-A43 WeakPolarHBondContact O-CB 3.45Å; Q40-A43 PolarHBondContact O-N 3.4Å; A43-A46 PolarHBondContact O-N 3.25Å; A43-K47 WeakPolarHBondContact O-CB 3.46Å; A43-K47 PolarHBondContact O-N 2.85Å
44D94.3Very high93Very high58 Ų5868.1 Ų68.131%0.3133%0.327SS..Hα-helixtrans-65.4-40.3176.9-62.6-24000111.2Q40 V41 Q48 L90Q40-D44 PolarHBondContact NE2-OD1 3.26Å; Q40-D44 PolarHBondContact O-N 3.38Å; V41-D44 PolarHBondContact O-N 2.9Å; D44-Q48 VanDerWaalsContact O-CB 3.27Å; D44-Q48 WeakPolarHBondContact O-CB 3.34Å; D44-Q48 PolarHBondContact O-N 2.96Å; D44-L90 HydrophobicContact CB-CD1 4.25Å; D44-L90 HydrophobicContact CB-CD2 4.09Å
45I95.3Very high93.3Very high0 Ų065.6 Ų65.60%032%0.32CS..Hα-helixtrans-63.3-50.1173.2-71.7166.9000110.4V41 Q48 V49 M87 L90 T91 L96 I97 A100V41-I45 HydrophobicContact CG1-CD1 3.77Å; V41-I45 HydrophobicContact CG1-CG1 4.44Å; V41-I45 WeakPolarHBondContact O-CB 3.24Å; V41-I45 WeakPolarHBondContact O-CD1 3.38Å; V41-I45 WeakPolarHBondContact O-CG1 3.45Å; V41-I45 PolarHBondContact O-N 3.34Å; I45-Q48 PolarHBondContact O-N 3.13Å; I45-V49 WeakPolarHBondContact O-CG2 3.44Å; I45-V49 PolarHBondContact O-N 3.48Å; I45-M87 HydrophobicContact CG1-SD 4.1Å; I45-M87 HydrophobicContact CG2-CE 4.1Å; I45-M87 HydrophobicContact CG2-SD 4.27Å; I45-L90 HydrophobicContact CD1-CB 4.45Å; I45-L90 HydrophobicContact CG1-CB 3.95Å; I45-L90 HydrophobicContact CG1-CD1 3.88Å; I45-T91 HydrophobicContact CD1-CG2 4.29Å; I45-L96 HydrophobicContact CD1-CD2 3.44Å; I45-L96 VanDerWaalsContact CD1-CD2 3.44Å; I45-I97 HydrophobicContact CG2-CB 4.43Å; I45-I97 HydrophobicContact CG2-CG1 4.26Å; I45-I97 HydrophobicContact CG2-CG2 4.19Å; I45-A100 HydrophobicContact CB-CB 4.12Å; I45-A100 HydrophobicContact CG2-CB 3.67Å
46A94.9Very high93.4Very high16 Ų1656.4 Ų56.413%0.13229%0.288CS..Hα-helixtrans-59-51178.900000111.4L42 A43 Q48 V49 D50L42-A46 WeakPolarHBondContact O-CB 3.45Å; L42-A46 PolarHBondContact O-N 3.06Å; A43-A46 PolarHBondContact O-N 3.25Å; A46-Q48 VanDerWaalsContact C-N 3.27Å; A46-Q48 PolarHBondContact O-N 3.21Å; A46-V49 PolarHBondContact O-N 3.02Å; A46-D50 WeakPolarHBondContact O-CB 3.19Å; A46-D50 PolarHBondContact O-N 2.81Å
47K93.4Very high93.5Very high126 Ų12653.7 Ų53.755%0.54827%0.268SS..Hα-helixtrans-56.4-39.3175.7-177.2179.8172.7-174.30111.9A43 F51 E149A43-K47 WeakPolarHBondContact O-CB 3.46Å; A43-K47 PolarHBondContact O-N 2.85Å; K47-F51 VanDerWaalsContact O-CB 3.24Å; K47-F51 WeakPolarHBondContact O-CB 3.49Å; K47-F51 PolarHBondContact O-N 3.05Å; K47-E149 IonicContact NZ-OE1 2.71Å; K47-E149 PolarHBondContact NZ-OE1 3.12Å
48Q94.4Very high93.6Very high27 Ų2744.7 Ų44.713%0.12624%0.235CC..Hα-helixtrans-75.4-29.4-178.5-170.551.385.100113.4D44 I45 A46 F51 W52 K86D44-Q48 VanDerWaalsContact O-CB 3.27Å; D44-Q48 WeakPolarHBondContact O-CB 3.34Å; D44-Q48 PolarHBondContact O-N 2.96Å; I45-Q48 PolarHBondContact O-N 3.13Å; A46-Q48 VanDerWaalsContact C-N 3.27Å; A46-Q48 PolarHBondContact O-N 3.21Å; Q48-F51 VanDerWaalsContact NE2-CD1 3.26Å; Q48-W52 HydrophobicContact CG-CD2 4.41Å; Q48-W52 HydrophobicContact CG-CE3 4.4Å; Q48-W52 HydrophobicContact CG-CH2 3.89Å; Q48-W52 HydrophobicContact CG-CZ2 3.92Å; Q48-W52 HydrophobicContact CG-CZ3 4.15Å; Q48-W52 VanDerWaalsContact O-CD2 3.25Å; Q48-W52 PolarHBondContact O-N 2.73Å; Q48-K86 VanDerWaalsContact CD-CD 3.49Å; Q48-K86 HydrophobicContact CG-CB 4.26Å; Q48-K86 HydrophobicContact CG-CD 4.21Å
49V95.3Very high93.5Very high0 Ų042.9 Ų42.90%022%0.222CC..Hα-helixtrans-80-44.5173.6177.80000111.5I45 A46 F51 W52 F53 L81 M87 L101 V107 I116I45-V49 WeakPolarHBondContact O-CG2 3.44Å; I45-V49 PolarHBondContact O-N 3.48Å; A46-V49 PolarHBondContact O-N 3.02Å; V49-F51 PolarHBondContact O-N 2.82Å; V49-W52 HydrophobicContact CG2-CE3 4.19Å; V49-W52 HydrophobicContact CG2-CZ3 4.32Å; V49-W52 PolarHBondContact O-N 2.7Å; V49-F53 HydrophobicContact CG1-CD2 3.83Å; V49-F53 HydrophobicContact CG1-CE2 4.15Å; V49-F53 PolarHBondContact O-N 2.82Å; V49-L81 HydrophobicContact CG1-CD2 4.06Å; V49-L81 HydrophobicContact CG2-CD2 3.75Å; V49-M87 HydrophobicContact CG2-CE 3.74Å; V49-L101 HydrophobicContact CB-CD1 4.46Å; V49-L101 HydrophobicContact CB-CD2 3.68Å; V49-L101 HydrophobicContact CG1-CD1 3.93Å; V49-L101 HydrophobicContact CG1-CD2 3.77Å; V49-L101 HydrophobicContact CG2-CD1 4.36Å; V49-L101 HydrophobicContact CG2-CD2 4.08Å; V49-V107 HydrophobicContact CG1-CG1 4.42Å; V49-V107 HydrophobicContact CG1-CG2 4.07Å; V49-I116 HydrophobicContact CG1-CD1 3.78Å
50D94.3Very high93.3Very high36 Ų3638.1 Ų38.119%0.19320%0.201CC..Hα-helixtrans-61.1-31.3174.3-79.8-15.4000111.2A46 G54 S104 V106A46-D50 WeakPolarHBondContact O-CB 3.19Å; A46-D50 PolarHBondContact O-N 2.81Å; D50-G54 VanDerWaalsContact O-CA 3.24Å; D50-G54 WeakPolarHBondContact O-CA 3.47Å; D50-G54 PolarHBondContact O-N 3.31Å; D50-S104 VanDerWaalsContact OD1-CB 3.26Å; D50-S104 WeakPolarHBondContact OD1-CB 3.32Å; D50-V106 HydrophobicContact CB-CB 4.35Å; D50-V106 HydrophobicContact CB-CG2 3.95Å; D50-V106 WeakPolarHBondContact OD1-CB 3.26Å
51F93.8Very high93.3Very high59 Ų5934.9 Ų34.926%0.25919%0.187SC..Hα-helixtrans-62.6-48.2166.8170.1-87.7000112.6K47 Q48 V49 G54 N57 V159 Y160K47-F51 VanDerWaalsContact O-CB 3.24Å; K47-F51 WeakPolarHBondContact O-CB 3.49Å; K47-F51 PolarHBondContact O-N 3.05Å; Q48-F51 VanDerWaalsContact NE2-CD1 3.26Å; V49-F51 PolarHBondContact O-N 2.82Å; F51-G54 PolarHBondContact O-N 2.91Å; F51-N57 HydrophobicContact CD1-CB 4.44Å; F51-N57 HydrophobicContact CE1-CB 4.09Å; F51-N57 WeakPolarHBondContact CE1-OD1 3.31Å; F51-N57 HydrophobicContact CZ-CB 4.24Å; F51-N57 WeakPolarHBondContact O-CB 3.44Å; F51-V159 WeakPolarHBondContact CE2-O 3.45Å; F51-Y160 AromaticContact CE2-CD2 3.96Å; F51-Y160 HydrophobicContact CE2-CD2 3.96Å; F51-Y160 AromaticContact CZ-CD2 3.69Å; F51-Y160 HydrophobicContact CZ-CD2 3.69Å; F51-Y160 AromaticContact CZ-CE2 3.98Å; F51-Y160 HydrophobicContact CZ-CE2 3.98Å
52W94.4Very high93.2Very high22 Ų2240.9 Ų40.98%0.08321%0.205CC..Hα-helixtrans-66.7-40.3-174.5-80.3-38.2000113.3Q48 V49 N57 L64 F84 K86 M87Q48-W52 HydrophobicContact CG-CD2 4.41Å; Q48-W52 HydrophobicContact CG-CE3 4.4Å; Q48-W52 HydrophobicContact CG-CH2 3.89Å; Q48-W52 HydrophobicContact CG-CZ2 3.92Å; Q48-W52 HydrophobicContact CG-CZ3 4.15Å; Q48-W52 VanDerWaalsContact O-CD2 3.25Å; Q48-W52 PolarHBondContact O-N 2.73Å; V49-W52 HydrophobicContact CG2-CE3 4.19Å; V49-W52 HydrophobicContact CG2-CZ3 4.32Å; V49-W52 PolarHBondContact O-N 2.7Å; W52-N57 PolarHBondContact O-ND2 3.43Å; W52-L64 HydrophobicContact CB-CD1 3.78Å; W52-L64 HydrophobicContact CG-CD1 4.13Å; W52-F84 HydrophobicContact CD2-CD2 4.2Å; W52-F84 HydrophobicContact CE3-CD2 4.01Å; W52-F84 HydrophobicContact CE3-CE2 4.44Å; W52-F84 HydrophobicContact CH2-CB 3.76Å; W52-F84 AromaticContact CH2-CD2 3.69Å; W52-F84 HydrophobicContact CH2-CD2 3.69Å; W52-F84 HydrophobicContact CH2-CG 4.25Å; W52-F84 HydrophobicContact CZ2-CB 3.93Å; W52-F84 AromaticContact CZ2-CD2 3.84Å; W52-F84 HydrophobicContact CZ2-CD2 3.84Å; W52-F84 HydrophobicContact CZ2-CG 4.35Å; W52-F84 AromaticContact CZ3-CD2 3.76Å; W52-F84 HydrophobicContact CZ3-CD2 3.76Å; W52-K86 HydrophobicContact CH2-CB 4.25Å; W52-K86 HydrophobicContact CZ2-CB 3.93Å; W52-M87 HydrophobicContact CH2-CB 4.01Å; W52-M87 HydrophobicContact CH2-CE 4.2Å; W52-M87 HydrophobicContact CZ3-CB 4.38Å; W52-M87 HydrophobicContact CZ3-CE 3.65Å
53F93.9Very high93.1Very high0 Ų043.6 Ų43.60%022%0.215CC..Hα-helixtrans-90.4-7.7177.9-71.6-94.8000112.6V49 L64 I68 V76 L81 V106 V107 I116 R118V49-F53 HydrophobicContact CG1-CD2 3.83Å; V49-F53 HydrophobicContact CG1-CE2 4.15Å; V49-F53 PolarHBondContact O-N 2.82Å; F53-L64 HydrophobicContact CE2-CD2 4.5Å; F53-L64 HydrophobicContact CZ-CD2 4.15Å; F53-I68 HydrophobicContact CD1-CD1 4.06Å; F53-I68 HydrophobicContact CE1-CD1 3.87Å; F53-I68 HydrophobicContact CE1-CG1 4.38Å; F53-V76 HydrophobicContact CE1-CB 4.48Å; F53-V76 HydrophobicContact CE1-CG2 4.17Å; F53-V76 HydrophobicContact CZ-CB 4.2Å; F53-V76 HydrophobicContact CZ-CG1 4.42Å; F53-V76 HydrophobicContact CZ-CG2 4.3Å; F53-L81 HydrophobicContact CE2-CD1 4.26Å; F53-L81 HydrophobicContact CE2-CD2 4.37Å; F53-L81 HydrophobicContact CZ-CD1 4.31Å; F53-V106 HydrophobicContact CB-CG1 4.26Å; F53-V107 HydrophobicContact CB-CG1 3.44Å; F53-V107 VanDerWaalsContact CB-CG1 3.44Å; F53-V107 HydrophobicContact CD1-CG1 4.16Å; F53-V107 HydrophobicContact CD2-CG1 4.02Å; F53-V107 HydrophobicContact CG-CG1 3.6Å; F53-I116 HydrophobicContact CD2-CD1 4.24Å; F53-I116 HydrophobicContact CE2-CD1 3.61Å; F53-I116 HydrophobicContact CE2-CG1 4.33Å; F53-I116 HydrophobicContact CZ-CD1 3.8Å; F53-I116 HydrophobicContact CZ-CG1 4Å; F53-R118 HydrophobicContact CB-CG 3.99Å; F53-R118 HydrophobicContact CD1-CG 4.06Å; F53-R118 VanDerWaalsContact O-CD 3.27Å; F53-R118 WeakPolarHBondContact O-CD 3.49Å; F53-R118 PolarHBondContact O-NH1 2.82Å
54G92.1Very high92.9Very high12 Ų1241.1 Ų41.112%0.12420%0.195CC..SBendtrans-66.6157.1173.300000113D50 F51 A56 N57 L58D50-G54 VanDerWaalsContact O-CA 3.24Å; D50-G54 WeakPolarHBondContact O-CA 3.47Å; D50-G54 PolarHBondContact O-N 3.31Å; F51-G54 PolarHBondContact O-N 2.91Å; G54-A56 PolarHBondContact O-N 3.24Å; G54-N57 PolarHBondContact O-N 2.91Å; G54-L58 PolarHBondContact O-N 3.02Å
55D90.9Very high92.8Very high77 Ų7741.8 Ų41.841%0.41219%0.193SC..Hα-helixtrans-62.6-44.1-167-62.7-62.8000113.7N57 L58 H59 R118 L122D55-N57 VanDerWaalsContact C-N 3.33Å; D55-N57 PolarHBondContact O-N 2.83Å; D55-L58 PolarHBondContact O-N 2.82Å; D55-H59 PolarHBondContact O-N 3Å; D55-H59 PolarHBondContact O-ND1 2.91Å; D55-R118 IonicContact OD1-CZ 2.76Å; D55-R118 IonicContact OD1-NH1 2.79Å; D55-R118 PolarHBondContact OD1-NH1 3.02Å; D55-R118 IonicContact OD1-NH2 3.77Å; D55-R118 PolarHBondContact OD1-NH2 2.88Å; D55-R118 IonicContact OD2-NH2 2.73Å; D55-L122 WeakPolarHBondContact OD1-CD1 3.19Å
56A90.1Very high92.7Very high15 Ų1544.4 Ų44.412%0.12421%0.205CC..Hα-helixtrans-61.5-38.4179.900000112.7G54 K60 V159G54-A56 PolarHBondContact O-N 3.24Å; A56-K60 WeakPolarHBondContact O-CD 3.44Å; A56-K60 WeakPolarHBondContact O-CE 3.19Å; A56-K60 WeakPolarHBondContact O-CG 3.18Å; A56-V159 HydrophobicContact CB-CG1 3.59Å
57N93.1Very high92.5Very high11 Ų1146 Ų466%0.05921%0.21CC..Hα-helixtrans-74-48.9175.9-172.578.8000111.3F51 W52 G54 D55 H59 K60 D61 Y160F51-N57 HydrophobicContact CD1-CB 4.44Å; F51-N57 HydrophobicContact CE1-CB 4.09Å; F51-N57 WeakPolarHBondContact CE1-OD1 3.31Å; F51-N57 HydrophobicContact CZ-CB 4.24Å; F51-N57 WeakPolarHBondContact O-CB 3.44Å; W52-N57 PolarHBondContact O-ND2 3.43Å; G54-N57 PolarHBondContact O-N 2.91Å; D55-N57 VanDerWaalsContact C-N 3.33Å; D55-N57 PolarHBondContact O-N 2.83Å; N57-H59 PolarHBondContact O-N 3.31Å; N57-K60 CarbonylContact O-C 3.59Å; N57-K60 WeakPolarHBondContact O-CA 3.49Å; N57-K60 PolarHBondContact O-N 3.46Å; N57-D61 WeakPolarHBondContact O-CB 3.41Å; N57-D61 PolarHBondContact O-N 3.43Å; N57-Y160 HydrophobicContact CB-CD2 4.46Å; N57-Y160 HydrophobicContact CB-CE2 4.43Å
58L91.8Very high92.4Very high5 Ų541.7 Ų41.73%0.02619%0.193CC..Hα-helixtrans-72-24.4-167.6-167.959.9000114.4G54 D55 K60 L64 R65 I68 L122G54-L58 PolarHBondContact O-N 3.02Å; D55-L58 PolarHBondContact O-N 2.82Å; L58-K60 PolarHBondContact O-N 3.04Å; L58-L64 HydrophobicContact CD1-CB 3.91Å; L58-R65 HydrophobicContact CD1-CB 4.01Å; L58-R65 PolarHBondContact O-NH1 3.13Å; L58-I68 HydrophobicContact CD1-CD1 3.95Å; L58-I68 HydrophobicContact CD2-CD1 3.83Å; L58-L122 HydrophobicContact CB-CD1 4.25Å; L58-L122 HydrophobicContact CD2-CD1 4.36Å; L58-L122 HydrophobicContact CD2-CD2 4.41Å; L58-L122 HydrophobicContact CG-CD1 4.46Å; L58-L122 HydrophobicContact CG-CD2 4.21Å
59H89.7Confident92.1Very high30 Ų3046.7 Ų46.714%0.13922%0.216CC..Hα-helixtrans-62.2-32.2166.8-73.8107.5000112.2D55 N57 R65 R125D55-H59 PolarHBondContact O-N 3Å; D55-H59 PolarHBondContact O-ND1 2.91Å; N57-H59 PolarHBondContact O-N 3.31Å; H59-R65 PolarHBondContact O-NH1 3.45Å; H59-R125 HydrophobicContact CB-CG 4.49Å; H59-R125 WeakPolarHBondContact NE2-CA 3.18Å
60K90.2Very high91.9Very high60 Ų6052.5 Ų52.526%0.26124%0.241SC..Hα-helixtrans-101.1-34.9-169.6-53.3-179.9-154-151.70112.3A56 N57 L58 R62 E129 Y160 E179A56-K60 WeakPolarHBondContact O-CD 3.44Å; A56-K60 WeakPolarHBondContact O-CE 3.19Å; A56-K60 WeakPolarHBondContact O-CG 3.18Å; N57-K60 CarbonylContact O-C 3.59Å; N57-K60 WeakPolarHBondContact O-CA 3.49Å; N57-K60 PolarHBondContact O-N 3.46Å; L58-K60 PolarHBondContact O-N 3.04Å; K60-R62 PolarHBondContact O-N 3.36Å; K60-R62 VanDerWaalsContact O-N 3.15Å; K60-E129 WeakPolarHBondContact CE-OE1 3.41Å; K60-E129 IonicContact NZ-OE1 2.71Å; K60-E129 PolarHBondContact NZ-OE1 3.38Å; K60-E129 IonicContact NZ-OE2 3.91Å; K60-Y160 HydrophobicContact CD-CD1 4.22Å; K60-Y160 HydrophobicContact CD-CE1 3.95Å; K60-E179 IonicContact NZ-OE1 2.76Å; K60-E179 PolarHBondContact NZ-OE1 2.97Å; K60-E179 IonicContact NZ-OE2 3.28Å; K60-E179 PolarHBondContact NZ-OE2 3.16Å
61D93.2Very high91.6Very high43 Ų4352.6 Ų52.623%0.2325%0.245CC..  trans-78.194.9177-168.8-19.5000111.3N57 F63 L64 R65N57-D61 WeakPolarHBondContact O-CB 3.41Å; N57-D61 PolarHBondContact O-N 3.43Å; D61-F63 VanDerWaalsContact C-N 3.27Å; D61-F63 PolarHBondContact O-N 3.02Å; D61-F63 WeakPolarHBondContact OD1-CA 3.48Å; D61-F63 WeakPolarHBondContact OD1-CB 3.4Å; D61-F63 PolarHBondContact OD1-N 2.94Å; D61-L64 HydrophobicContact CB-CB 4.45Å; D61-L64 PolarHBondContact OD1-N 2.99Å; D61-R65 WeakPolarHBondContact O-CB 3.21Å; D61-R65 PolarHBondContact O-N 2.98Å
62R91.4Very high91.1Very high173 Ų17362.3 Ų62.365%0.65328%0.28SS*.Hα-helixtrans-61.1-33173.6179.3176.9170.3-172.6-6.7112.6K60 E66K60-R62 PolarHBondContact O-N 3.36Å; K60-R62 VanDerWaalsContact O-N 3.15Å; R62-E66 HydrophobicContact CG-CG 4.32Å; R62-E66 IonicContact CZ-OE1 3.17Å; R62-E66 IonicContact NE-OE1 2.8Å; R62-E66 PolarHBondContact NE-OE1 2.86Å; R62-E66 IonicContact NH2-OE1 2.82Å; R62-E66 PolarHBondContact NH2-OE1 3.23Å; R62-E66 WeakPolarHBondContact O-CB 3.14Å; R62-E66 WeakPolarHBondContact O-CG 3.29Å; R62-E66 PolarHBondContact O-N 2.99Å
63F93.4Very high90.7Very high93 Ų9364.4 Ų64.441%0.40829%0.292SS..Hα-helixtrans-71-53.1-175.2174.8-92.6000110.8D61 R65 E66 Q67 L80 F84D61-F63 VanDerWaalsContact C-N 3.27Å; D61-F63 PolarHBondContact O-N 3.02Å; D61-F63 WeakPolarHBondContact OD1-CA 3.48Å; D61-F63 WeakPolarHBondContact OD1-CB 3.4Å; D61-F63 PolarHBondContact OD1-N 2.94Å; F63-R65 VanDerWaalsContact C-N 3.3Å; F63-R65 PolarHBondContact O-N 3.44Å; F63-E66 PolarHBondContact O-N 3.26Å; F63-Q67 HydrophobicContact CD1-CG 4.5Å; F63-Q67 HydrophobicContact CE1-CG 4.09Å; F63-Q67 HydrophobicContact CZ-CG 4.12Å; F63-Q67 VanDerWaalsContact CZ-NE2 3.27Å; F63-Q67 WeakPolarHBondContact O-CG 3.24Å; F63-Q67 PolarHBondContact O-N 3.45Å; F63-Q67 VanDerWaalsContact O-N 3.15Å; F63-L80 HydrophobicContact CE1-CD1 4.49Å; F63-L80 HydrophobicContact CE1-CD2 4.14Å; F63-L80 HydrophobicContact CZ-CD1 4.25Å; F63-L80 HydrophobicContact CZ-CD2 4.45Å; F63-F84 AromaticContact CE1-CE1 3.86Å; F63-F84 HydrophobicContact CE1-CE1 3.86Å; F63-F84 HydrophobicContact CE1-CZ 4.07Å
64L92Very high90.4Very high0 Ų065.3 Ų65.30%030%0.302CS..Hα-helixtrans-60.9-41.7178.7-89.8173.2000111.7W52 F53 L58 D61 Q67 I68 F84W52-L64 HydrophobicContact CB-CD1 3.78Å; W52-L64 HydrophobicContact CG-CD1 4.13Å; F53-L64 HydrophobicContact CE2-CD2 4.5Å; F53-L64 HydrophobicContact CZ-CD2 4.15Å; L58-L64 HydrophobicContact CD1-CB 3.91Å; D61-L64 HydrophobicContact CB-CB 4.45Å; D61-L64 PolarHBondContact OD1-N 2.99Å; L64-Q67 PolarHBondContact O-N 2.88Å; L64-I68 WeakPolarHBondContact O-CG1 3.44Å; L64-I68 PolarHBondContact O-N 3Å; L64-I68 VanDerWaalsContact O-N 3.12Å; L64-F84 HydrophobicContact CD1-CE2 4.37Å; L64-F84 HydrophobicContact CD2-CE2 3.98Å; L64-F84 HydrophobicContact CD2-CZ 3.86Å; L64-F84 HydrophobicContact CG-CE2 4.37Å; L64-F84 HydrophobicContact CG-CZ 4.29Å
65R91.5Very high90.4Very high72 Ų7266 Ų6627%0.27230%0.301SS..Hα-helixtrans-60.8-45.9176.2-174.1173.264.2-114.68.2112.2L58 H59 D61 F63 Q67 I68 E69L58-R65 HydrophobicContact CD1-CB 4.01Å; L58-R65 PolarHBondContact O-NH1 3.13Å; H59-R65 PolarHBondContact O-NH1 3.45Å; D61-R65 WeakPolarHBondContact O-CB 3.21Å; D61-R65 PolarHBondContact O-N 2.98Å; F63-R65 VanDerWaalsContact C-N 3.3Å; F63-R65 PolarHBondContact O-N 3.44Å; R65-Q67 PolarHBondContact O-N 3.42Å; R65-I68 PolarHBondContact O-N 2.85Å; R65-I68 VanDerWaalsContact O-N 3.17Å; R65-E69 VanDerWaalsContact CD-OE1 3.3Å; R65-E69 WeakPolarHBondContact CD-OE1 3.3Å; R65-E69 HydrophobicContact CG-CG 4.17Å; R65-E69 WeakPolarHBondContact CG-OE1 3.38Å; R65-E69 IonicContact NE-OE1 2.73Å; R65-E69 WeakPolarHBondContact O-CB 3.47Å; R65-E69 WeakPolarHBondContact O-CG 3.4Å; R65-E69 PolarHBondContact O-N 3.25Å
66E92Very high90.6Very high55 Ų5562.6 Ų62.626%0.25728%0.283SS..Hα-helixtrans-62-27.4176.1-84.7-174.3-168.800113.9R62 F63 K70R62-E66 HydrophobicContact CG-CG 4.32Å; R62-E66 IonicContact CZ-OE1 3.17Å; R62-E66 IonicContact NE-OE1 2.8Å; R62-E66 PolarHBondContact NE-OE1 2.86Å; R62-E66 IonicContact NH2-OE1 2.82Å; R62-E66 PolarHBondContact NH2-OE1 3.23Å; R62-E66 WeakPolarHBondContact O-CB 3.14Å; R62-E66 WeakPolarHBondContact O-CG 3.29Å; R62-E66 PolarHBondContact O-N 2.99Å; F63-E66 PolarHBondContact O-N 3.26Å; E66-K70 WeakPolarHBondContact O-CD 3.42Å; E66-K70 WeakPolarHBondContact O-CE 3.41Å; E66-K70 WeakPolarHBondContact O-CG 3.25Å; E66-K70 PolarHBondContact O-N 3.34Å; E66-K70 PolarHBondContact O-NZ 2.73Å; E66-K70 IonicContact OE2-NZ 3.82Å
67Q91.8Very high90.8Very high49 Ų4965.2 Ų65.223%0.22930%0.295CS..Hα-helixtrans-76.5-39.3174.5-54.8-56.62.300111.7F63 L64 R65 E69 K70 S71 L80F63-Q67 HydrophobicContact CD1-CG 4.5Å; F63-Q67 HydrophobicContact CE1-CG 4.09Å; F63-Q67 HydrophobicContact CZ-CG 4.12Å; F63-Q67 VanDerWaalsContact CZ-NE2 3.27Å; F63-Q67 WeakPolarHBondContact O-CG 3.24Å; F63-Q67 PolarHBondContact O-N 3.45Å; F63-Q67 VanDerWaalsContact O-N 3.15Å; L64-Q67 PolarHBondContact O-N 2.88Å; R65-Q67 PolarHBondContact O-N 3.42Å; Q67-E69 VanDerWaalsContact C-N 3.34Å; Q67-K70 PolarHBondContact O-N 2.83Å; Q67-S71 PolarHBondContact O-N 2.8Å; Q67-S71 PolarHBondContact O-OG 2.71Å; Q67-L80 HydrophobicContact CB-CD2 4.37Å; Q67-L80 HydrophobicContact CG-CD2 3.91Å
68I91.3Very high90.9Very high37 Ų3765 Ų6519%0.1929%0.293CS..Hα-helixtrans-64.1-40.2174.1-62.5166.4000110.6F53 L58 L64 R65 K70 S71 V76F53-I68 HydrophobicContact CD1-CD1 4.06Å; F53-I68 HydrophobicContact CE1-CD1 3.87Å; F53-I68 HydrophobicContact CE1-CG1 4.38Å; L58-I68 HydrophobicContact CD1-CD1 3.95Å; L58-I68 HydrophobicContact CD2-CD1 3.83Å; L64-I68 WeakPolarHBondContact O-CG1 3.44Å; L64-I68 PolarHBondContact O-N 3Å; L64-I68 VanDerWaalsContact O-N 3.12Å; R65-I68 PolarHBondContact O-N 2.85Å; R65-I68 VanDerWaalsContact O-N 3.17Å; I68-K70 VanDerWaalsContact C-N 3.35Å; I68-K70 PolarHBondContact O-N 3.45Å; I68-S71 PolarHBondContact O-N 2.79Å; I68-V76 HydrophobicContact CG1-CG2 3.59Å
69E89.1Confident90.9Very high131 Ų13168.4 Ų68.461%0.61232%0.318SS*.Hα-helixtrans-70.4-23.9179.5-73170.1175.800113.8R65 Q67R65-E69 VanDerWaalsContact CD-OE1 3.3Å; R65-E69 WeakPolarHBondContact CD-OE1 3.3Å; R65-E69 HydrophobicContact CG-CG 4.17Å; R65-E69 WeakPolarHBondContact CG-OE1 3.38Å; R65-E69 IonicContact NE-OE1 2.73Å; R65-E69 WeakPolarHBondContact O-CB 3.47Å; R65-E69 WeakPolarHBondContact O-CG 3.4Å; R65-E69 PolarHBondContact O-N 3.25Å; Q67-E69 VanDerWaalsContact C-N 3.34Å
70K89.8Confident91.2Very high123 Ų12369.2 Ų69.254%0.53532%0.323SS..Hα-helixtrans-76.3-35.5173.5-72.8159.4-156.81580112E66 Q67 I68 R72E66-K70 WeakPolarHBondContact O-CD 3.42Å; E66-K70 WeakPolarHBondContact O-CE 3.41Å; E66-K70 WeakPolarHBondContact O-CG 3.25Å; E66-K70 PolarHBondContact O-N 3.34Å; E66-K70 PolarHBondContact O-NZ 2.73Å; E66-K70 IonicContact OE2-NZ 3.82Å; Q67-K70 PolarHBondContact O-N 2.83Å; I68-K70 VanDerWaalsContact C-N 3.35Å; I68-K70 PolarHBondContact O-N 3.45Å; K70-R72 PolarHBondContact O-N 2.76Å
71S87.8Confident91.3Very high38 Ų3866.4 Ų66.427%0.26631%0.311SS..SBendtrans-77.7108.7176.9-65.80000110.4Q67 I68 D73 G74 Y75Q67-S71 PolarHBondContact O-N 2.8Å; Q67-S71 PolarHBondContact O-OG 2.71Å; I68-S71 PolarHBondContact O-N 2.79Å; S71-D73 WeakPolarHBondContact CB-OD1 3.47Å; S71-D73 PolarHBondContact O-N 3.19Å; S71-G74 PolarHBondContact O-N 2.95Å; S71-Y75 VanDerWaalsContact CB-O 3.24Å; S71-Y75 WeakPolarHBondContact CB-O 3.18Å; S71-Y75 PolarHBondContact OG-O 3.04Å
72R83.8Confident91.4Very high263 Ų26365.8 Ų65.899%0.99231%0.309SS*.THydrogen-bonded Turntrans-56.3-25.1178.4-70.9-171.6178.2-164.41.5113.9K70K70-R72 PolarHBondContact O-N 2.76Å
73D85.6Confident91.5Very high66 Ų6660 Ų6035%0.35330%0.295SS..THydrogen-bonded Turntrans-97.70.1-179.658.6-10000113.4S71 Y75 R115 R117S71-D73 WeakPolarHBondContact CB-OD1 3.47Å; S71-D73 PolarHBondContact O-N 3.19Å; D73-Y75 HydrophobicContact CB-CD2 3.87Å; D73-Y75 HydrophobicContact CB-CE2 4.5Å; D73-Y75 WeakPolarHBondContact O-CD2 3.27Å; D73-Y75 PolarHBondContact O-N 2.76Å; D73-Y75 WeakPolarHBondContact OD2-CD2 3.47Å; D73-R115 IonicContact OD2-CZ 2.66Å; D73-R115 IonicContact OD2-NH1 3.51Å; D73-R115 PolarHBondContact OD2-NH1 2.66Å; D73-R115 IonicContact OD2-NH2 2.73Å; D73-R115 PolarHBondContact OD2-NH2 3.21Å; D73-R117 PolarHBondContact O-NH1 2.79Å
74G87.8Confident91.6Very high19 Ų1957.1 Ų57.120%0.19628%0.282CS..  trans735.8178.500000115.4S71 R117S71-G74 PolarHBondContact O-N 2.95Å; G74-R117 VanDerWaalsContact O-CB 3.27Å; G74-R117 WeakPolarHBondContact O-CB 3.36Å
75Y93.5Very high91.7Very high26 Ų2663.1 Ų63.110%0.10231%0.314CS..  trans-83.5142.4-175.6-79.6-76.8000113.5S71 D73 D110 R115 I116 R117S71-Y75 VanDerWaalsContact CB-O 3.24Å; S71-Y75 WeakPolarHBondContact CB-O 3.18Å; S71-Y75 PolarHBondContact OG-O 3.04Å; D73-Y75 HydrophobicContact CB-CD2 3.87Å; D73-Y75 HydrophobicContact CB-CE2 4.5Å; D73-Y75 WeakPolarHBondContact O-CD2 3.27Å; D73-Y75 PolarHBondContact O-N 2.76Å; D73-Y75 WeakPolarHBondContact OD2-CD2 3.47Å; Y75-D110 HydrophobicContact CD1-CB 4.29Å; Y75-D110 HydrophobicContact CE1-CB 3.81Å; Y75-R115 HydrophobicContact CD1-CB 3.93Å; Y75-R115 HydrophobicContact CG-CB 4.31Å; Y75-I116 CarbonylContact C-O 3.55Å; Y75-I116 WeakPolarHBondContact CA-O 3.36Å; Y75-R117 HydrophobicContact CD1-CB 3.83Å; Y75-R117 HydrophobicContact CD1-CG 3.9Å; Y75-R117 HydrophobicContact CE1-CB 4.1Å; Y75-R117 HydrophobicContact CE1-CG 3.64Å; Y75-R117 HydrophobicContact CE2-CG 4.5Å; Y75-R117 HydrophobicContact CG-CB 4.21Å; Y75-R117 HydrophobicContact CG-CG 4.42Å
76V94.1Very high91.7Very high6 Ų663.9 Ų63.94%0.03632%0.319CS..EExtended strand (participates in β ladder)trans-123.7129.8175.6-179.10000108.9F53 I68 L80 L81 R115 I116F53-V76 HydrophobicContact CE1-CB 4.48Å; F53-V76 HydrophobicContact CE1-CG2 4.17Å; F53-V76 HydrophobicContact CZ-CB 4.2Å; F53-V76 HydrophobicContact CZ-CG1 4.42Å; F53-V76 HydrophobicContact CZ-CG2 4.3Å; I68-V76 HydrophobicContact CG1-CG2 3.59Å; V76-L80 HydrophobicContact CG1-CB 4.34Å; V76-L80 HydrophobicContact CG1-CD2 3.76Å; V76-L81 HydrophobicContact CG1-CD1 3.97Å; V76-R115 CarbonylContact O-C 3.59Å; V76-R115 WeakPolarHBondContact O-CA 3.5Å; V76-I116 PolarHBondContact N-O 2.96Å; V76-I116 PolarHBondContact O-N 3.01Å
77D94.3Very high91.8Very high70 Ų7061.3 Ų61.337%0.37431%0.307SS..EExtended strand (participates in β ladder)trans-66.7136.1178.9-179.5-0000111.9S79 L80D77-S79 VanDerWaalsContact CG-CB 3.48Å; D77-S79 VanDerWaalsContact CG-OG 3.26Å; D77-S79 PolarHBondContact O-N 2.87Å; D77-S79 WeakPolarHBondContact OD1-CB 3.38Å; D77-S79 PolarHBondContact OD1-N 2.99Å; D77-S79 PolarHBondContact OD1-OG 3.38Å; D77-S79 WeakPolarHBondContact OD2-CB 3.46Å; D77-S79 PolarHBondContact OD2-OG 3.27Å; D77-L80 VanDerWaalsContact O-CB 3.3Å; D77-L80 WeakPolarHBondContact O-CB 3.46Å; D77-L80 PolarHBondContact O-N 3Å
78I94.4Very high91.9Very high5 Ų564.6 Ų64.63%0.02632%0.321CS..Hα-helixtrans-60.1-28.7173.5-66.5176.2000111.4L80 L81 V82 I97 A98 G113 T114 I116I78-L80 PolarHBondContact O-N 3.2Å; I78-L81 WeakPolarHBondContact O-CA 3.37Å; I78-L81 WeakPolarHBondContact O-CB 3.43Å; I78-L81 PolarHBondContact O-N 2.6Å; I78-V82 HydrophobicContact CG2-CG2 4.4Å; I78-V82 WeakPolarHBondContact O-CG2 3.41Å; I78-V82 PolarHBondContact O-N 2.85Å; I78-I97 HydrophobicContact CG2-CB 3.99Å; I78-I97 HydrophobicContact CG2-CD1 3.92Å; I78-I97 HydrophobicContact CG2-CG2 4Å; I78-A98 HydrophobicContact CD1-CB 3.9Å; I78-G113 VanDerWaalsContact CD1-O 3.26Å; I78-G113 WeakPolarHBondContact CD1-O 3.43Å; I78-T114 WeakPolarHBondContact CB-O 3.21Å; I78-T114 VanDerWaalsContact CG1-O 3.32Å; I78-T114 WeakPolarHBondContact CG1-O 3.38Å; I78-T114 PolarHBondContact N-O 2.61Å; I78-I116 HydrophobicContact CD1-CG2 3.87Å; I78-I116 HydrophobicContact CG1-CG2 3.62Å
79S93.6Very high92Very high78 Ų7871.5 Ų71.555%0.54535%0.349SS..Hα-helixtrans-57.2-33.7172.7-44.70000112.1D77 S83D77-S79 VanDerWaalsContact CG-CB 3.48Å; D77-S79 VanDerWaalsContact CG-OG 3.26Å; D77-S79 PolarHBondContact O-N 2.87Å; D77-S79 WeakPolarHBondContact OD1-CB 3.38Å; D77-S79 PolarHBondContact OD1-N 2.99Å; D77-S79 PolarHBondContact OD1-OG 3.38Å; D77-S79 WeakPolarHBondContact OD2-CB 3.46Å; D77-S79 PolarHBondContact OD2-OG 3.27Å; S79-S83 PolarHBondContact O-N 2.76Å
80L94.2Very high92.2Very high47 Ų4768 Ų6825%0.24634%0.335CS..Hα-helixtrans-69.2-41.2173.1-170.871.5000111.4F63 Q67 V76 D77 I78 V82 S83 F84F63-L80 HydrophobicContact CE1-CD1 4.49Å; F63-L80 HydrophobicContact CE1-CD2 4.14Å; F63-L80 HydrophobicContact CZ-CD1 4.25Å; F63-L80 HydrophobicContact CZ-CD2 4.45Å; Q67-L80 HydrophobicContact CB-CD2 4.37Å; Q67-L80 HydrophobicContact CG-CD2 3.91Å; V76-L80 HydrophobicContact CG1-CB 4.34Å; V76-L80 HydrophobicContact CG1-CD2 3.76Å; D77-L80 VanDerWaalsContact O-CB 3.3Å; D77-L80 WeakPolarHBondContact O-CB 3.46Å; D77-L80 PolarHBondContact O-N 3Å; I78-L80 PolarHBondContact O-N 3.2Å; L80-V82 VanDerWaalsContact C-N 3.32Å; L80-V82 PolarHBondContact O-N 3.19Å; L80-S83 WeakPolarHBondContact O-CB 3.31Å; L80-S83 PolarHBondContact O-N 3.17Å; L80-S83 PolarHBondContact O-OG 3.36Å; L80-F84 HydrophobicContact CD2-CZ 4.31Å; L80-F84 HydrophobicContact CG-CE1 4.08Å; L80-F84 HydrophobicContact CG-CZ 4.12Å; L80-F84 WeakPolarHBondContact O-CD1 3.26Å; L80-F84 WeakPolarHBondContact O-CE1 3.43Å
81L93.1Very high92.4Very high0 Ų063 Ų630%031%0.314CS..Hα-helixtrans-62.8-38.6176.1-85.767.8000111.9V49 F53 V76 I78 S83 F84 M87 I116V49-L81 HydrophobicContact CG1-CD2 4.06Å; V49-L81 HydrophobicContact CG2-CD2 3.75Å; F53-L81 HydrophobicContact CE2-CD1 4.26Å; F53-L81 HydrophobicContact CE2-CD2 4.37Å; F53-L81 HydrophobicContact CZ-CD1 4.31Å; V76-L81 HydrophobicContact CG1-CD1 3.97Å; I78-L81 WeakPolarHBondContact O-CA 3.37Å; I78-L81 WeakPolarHBondContact O-CB 3.43Å; I78-L81 PolarHBondContact O-N 2.6Å; L81-S83 PolarHBondContact O-N 3.12Å; L81-F84 HydrophobicContact CD1-CE2 4.46Å; L81-F84 HydrophobicContact CG-CD2 4.49Å; L81-F84 HydrophobicContact CG-CE2 4.26Å; L81-F84 WeakPolarHBondContact O-CB 3.38Å; L81-F84 PolarHBondContact O-N 3.44Å; L81-M87 WeakPolarHBondContact O-CB 3.27Å; L81-I116 HydrophobicContact CD1-CD1 4.18Å; L81-I116 HydrophobicContact CD2-CD1 3.54Å
82V95.4Very high92.7Very high31 Ų3165.8 Ų65.819%0.18833%0.33CS..Hα-helixtrans-61.6-23.5173.71740000111.8I78 L80 F84 K88 T92 I97I78-V82 HydrophobicContact CG2-CG2 4.4Å; I78-V82 WeakPolarHBondContact O-CG2 3.41Å; I78-V82 PolarHBondContact O-N 2.85Å; L80-V82 VanDerWaalsContact C-N 3.32Å; L80-V82 PolarHBondContact O-N 3.19Å; V82-F84 VanDerWaalsContact C-N 3.27Å; V82-F84 PolarHBondContact O-N 2.97Å; V82-K88 VanDerWaalsContact O-CE 3.31Å; V82-K88 WeakPolarHBondContact O-CE 3.48Å; V82-K88 WeakPolarHBondContact O-CG 3.3Å; V82-T92 WeakPolarHBondContact CG2-O 3.14Å; V82-I97 HydrophobicContact CG2-CD1 3.58Å
83S94.4Very high93.3Very high52 Ų5257.6 Ų57.636%0.36431%0.306SS..THydrogen-bonded Turntrans-68.9-21.6172.986.60000113.6S79 L80 L81 K88S79-S83 PolarHBondContact O-N 2.76Å; L80-S83 WeakPolarHBondContact O-CB 3.31Å; L80-S83 PolarHBondContact O-N 3.17Å; L80-S83 PolarHBondContact O-OG 3.36Å; L81-S83 PolarHBondContact O-N 3.12Å; S83-K88 WeakPolarHBondContact O-CE 3.19Å; S83-K88 PolarHBondContact O-NZ 3.32Å
84F94.2Very high93.6Very high32 Ų3255.8 Ų55.814%0.1430%0.303CS..SBendtrans-78.4137.1-169.6-60.7-16.2000113.7W52 F63 L64 L80 L81 V82 K86 M87 K88W52-F84 HydrophobicContact CD2-CD2 4.2Å; W52-F84 HydrophobicContact CE3-CD2 4.01Å; W52-F84 HydrophobicContact CE3-CE2 4.44Å; W52-F84 HydrophobicContact CH2-CB 3.76Å; W52-F84 AromaticContact CH2-CD2 3.69Å; W52-F84 HydrophobicContact CH2-CD2 3.69Å; W52-F84 HydrophobicContact CH2-CG 4.25Å; W52-F84 HydrophobicContact CZ2-CB 3.93Å; W52-F84 AromaticContact CZ2-CD2 3.84Å; W52-F84 HydrophobicContact CZ2-CD2 3.84Å; W52-F84 HydrophobicContact CZ2-CG 4.35Å; W52-F84 AromaticContact CZ3-CD2 3.76Å; W52-F84 HydrophobicContact CZ3-CD2 3.76Å; F63-F84 AromaticContact CE1-CE1 3.86Å; F63-F84 HydrophobicContact CE1-CE1 3.86Å; F63-F84 HydrophobicContact CE1-CZ 4.07Å; L64-F84 HydrophobicContact CD1-CE2 4.37Å; L64-F84 HydrophobicContact CD2-CE2 3.98Å; L64-F84 HydrophobicContact CD2-CZ 3.86Å; L64-F84 HydrophobicContact CG-CE2 4.37Å; L64-F84 HydrophobicContact CG-CZ 4.29Å; L80-F84 HydrophobicContact CD2-CZ 4.31Å; L80-F84 HydrophobicContact CG-CE1 4.08Å; L80-F84 HydrophobicContact CG-CZ 4.12Å; L80-F84 WeakPolarHBondContact O-CD1 3.26Å; L80-F84 WeakPolarHBondContact O-CE1 3.43Å; L81-F84 HydrophobicContact CD1-CE2 4.46Å; L81-F84 HydrophobicContact CG-CD2 4.49Å; L81-F84 HydrophobicContact CG-CE2 4.26Å; L81-F84 WeakPolarHBondContact O-CB 3.38Å; L81-F84 PolarHBondContact O-N 3.44Å; V82-F84 VanDerWaalsContact C-N 3.27Å; V82-F84 PolarHBondContact O-N 2.97Å; F84-K86 PolarHBondContact O-N 3.39Å; F84-M87 PolarHBondContact O-N 2.86Å; F84-K88 PolarHBondContact O-N 3.4Å
85N93.6Very high93.9Very high125 Ų12564.2 Ų64.267%0.66833%0.334SS*.THydrogen-bonded Turntrans-63.1-13.5-172.9-68.9-19.9000116K89N85-K89 WeakPolarHBondContact O-CE 3.42Å
86K91.9Very high93.9Very high89 Ų8964.7 Ų64.739%0.38734%0.338SS..THydrogen-bonded Turntrans-91.1-38.9168.1-65.7-168.7-179.6-179.40112.5Q48 W52 F84 K89Q48-K86 VanDerWaalsContact CD-CD 3.49Å; Q48-K86 HydrophobicContact CG-CB 4.26Å; Q48-K86 HydrophobicContact CG-CD 4.21Å; W52-K86 HydrophobicContact CH2-CB 4.25Å; W52-K86 HydrophobicContact CZ2-CB 3.93Å; F84-K86 PolarHBondContact O-N 3.39Å; K86-K89 PolarHBondContact O-N 3.46Å
87M94.4Very high93.9Very high0 Ų064.4 Ų64.40%034%0.337CS..G310 helixtrans-64-44.1178.4-168.354.66300110.8I45 V49 W52 L81 F84 K89 L90 T91 I97I45-M87 HydrophobicContact CG1-SD 4.1Å; I45-M87 HydrophobicContact CG2-CE 4.1Å; I45-M87 HydrophobicContact CG2-SD 4.27Å; V49-M87 HydrophobicContact CG2-CE 3.74Å; W52-M87 HydrophobicContact CH2-CB 4.01Å; W52-M87 HydrophobicContact CH2-CE 4.2Å; W52-M87 HydrophobicContact CZ3-CB 4.38Å; W52-M87 HydrophobicContact CZ3-CE 3.65Å; L81-M87 WeakPolarHBondContact O-CB 3.27Å; F84-M87 PolarHBondContact O-N 2.86Å; M87-K89 PolarHBondContact O-N 3.04Å; M87-L90 WeakPolarHBondContact O-CA 3.48Å; M87-L90 PolarHBondContact O-N 2.91Å; M87-T91 PolarHBondContact O-N 3.37Å; M87-I97 HydrophobicContact CE-CD1 4.44Å; M87-I97 HydrophobicContact CG-CD1 3.66Å; M87-I97 HydrophobicContact SD-CD1 3.63Å; M87-I97 HydrophobicContact SD-CG1 3.88Å
88K94.7Very high93.9Very high118 Ų11861.6 Ų61.651%0.51332%0.323SS..G310 helixtrans-52.8-20.6174.4-72.4175.1166.6159.70115.1V82 S83 F84V82-K88 VanDerWaalsContact O-CE 3.31Å; V82-K88 WeakPolarHBondContact O-CE 3.48Å; V82-K88 WeakPolarHBondContact O-CG 3.3Å; S83-K88 WeakPolarHBondContact O-CE 3.19Å; S83-K88 PolarHBondContact O-NZ 3.32Å; F84-K88 PolarHBondContact O-N 3.4Å
89K93.3Very high93.9Very high182 Ų18267.2 Ų67.279%0.79134%0.344SS*.G310 helixtrans-90.6-15.5176.9-63.5-178.8-179.4-1720113.5N85 K86 M87N85-K89 WeakPolarHBondContact O-CE 3.42Å; K86-K89 PolarHBondContact O-N 3.46Å; M87-K89 PolarHBondContact O-N 3.04Å
90L93.5Very high93.9Very high58 Ų5863.9 Ų63.930%0.30432%0.321SS..THydrogen-bonded Turntrans-102.4-47.6179.2-61.7175.6000111.4D44 I45 M87D44-L90 HydrophobicContact CB-CD1 4.25Å; D44-L90 HydrophobicContact CB-CD2 4.09Å; I45-L90 HydrophobicContact CD1-CB 4.45Å; I45-L90 HydrophobicContact CG1-CB 3.95Å; I45-L90 HydrophobicContact CG1-CD1 3.88Å; M87-L90 WeakPolarHBondContact O-CA 3.48Å; M87-L90 PolarHBondContact O-N 2.91Å
91T93.9Very high94Very high18 Ų1861.7 Ų61.711%0.1131%0.309CS..  trans-168.3144-169.2-80.80000111.7I45 M87 D93 L96 I97I45-T91 HydrophobicContact CD1-CG2 4.29Å; M87-T91 PolarHBondContact O-N 3.37Å; T91-D93 HydrophobicContact CG2-CB 4.04Å; T91-L96 HydrophobicContact CG2-CB 4.01Å; T91-L96 HydrophobicContact CG2-CD2 4.08Å; T91-L96 HydrophobicContact CG2-CG 4.41Å; T91-I97 HydrophobicContact CG2-CG1 4.09Å
92T94.1Very high93.9Very high97 Ų9771.1 Ų71.160%0.59535%0.345SS*.  trans-95.5-20.1168.740.40000113.5V82 G94V82-T92 WeakPolarHBondContact CG2-O 3.14Å; T92-G94 PolarHBondContact O-N 2.82Å
93D94.6Very high93.6Very high91 Ų9175 Ų7549%0.48737%0.373SS..  trans-88.7106.3-162.5-49.5-13000111.3T91 K95 L96 I97T91-D93 HydrophobicContact CG2-CB 4.04Å; D93-K95 PolarHBondContact O-N 2.73Å; D93-K95 VanDerWaalsContact O-N 3.13Å; D93-L96 HydrophobicContact CB-CB 4.06Å; D93-L96 WeakPolarHBondContact O-CB 3.11Å; D93-L96 PolarHBondContact O-N 3.34Å; D93-I97 PolarHBondContact O-N 3.3Å
94G93.1Very high93.4Very high28 Ų2872.7 Ų72.729%0.28936%0.357SS..Hα-helixtrans-54-35.6179.400000113.8T92 L96 I97 A98T92-G94 PolarHBondContact O-N 2.82Å; G94-L96 VanDerWaalsContact C-N 3.29Å; G94-L96 PolarHBondContact O-N 3.29Å; G94-I97 PolarHBondContact O-N 3.06Å; G94-A98 WeakPolarHBondContact O-CB 3.16Å; G94-A98 PolarHBondContact O-N 2.96Å
95K92.9Very high93.2Very high195 Ų19575.1 Ų75.185%0.84838%0.383SS*.Hα-helixtrans-62.2-32.5175.4-62.9-178.7-179.6-179.80113.2D93 R99D93-K95 PolarHBondContact O-N 2.73Å; D93-K95 VanDerWaalsContact O-N 3.13Å; K95-R99 PolarHBondContact O-N 2.87Å; K95-R99 VanDerWaalsContact O-N 3.13Å
96L93.8Very high93.2Very high37 Ų3771.1 Ų71.119%0.19436%0.363CS..Hα-helixtrans-77.7-38.2177.9-166157.3000110.5V41 L42 I45 T91 D93 G94 R99 A100V41-L96 HydrophobicContact CG1-CD2 4.49Å; L42-L96 HydrophobicContact CD2-CD2 3.59Å; L42-L96 HydrophobicContact CD2-CG 4.17Å; L42-L96 HydrophobicContact CG-CD2 4.48Å; I45-L96 HydrophobicContact CD1-CD2 3.44Å; I45-L96 VanDerWaalsContact CD1-CD2 3.44Å; T91-L96 HydrophobicContact CG2-CB 4.01Å; T91-L96 HydrophobicContact CG2-CD2 4.08Å; T91-L96 HydrophobicContact CG2-CG 4.41Å; D93-L96 HydrophobicContact CB-CB 4.06Å; D93-L96 WeakPolarHBondContact O-CB 3.11Å; D93-L96 PolarHBondContact O-N 3.34Å; G94-L96 VanDerWaalsContact C-N 3.29Å; G94-L96 PolarHBondContact O-N 3.29Å; L96-R99 PolarHBondContact O-N 2.97Å; L96-A100 PolarHBondContact O-N 2.99Å
97I94.5Very high93.3Very high0 Ų066.9 Ų66.90%035%0.345CS..Hα-helixtrans-61.1-51.2171.6-59.9169.8000110.1I45 I78 V82 M87 T91 D93 G94 R99 A100 L101I45-I97 HydrophobicContact CG2-CB 4.43Å; I45-I97 HydrophobicContact CG2-CG1 4.26Å; I45-I97 HydrophobicContact CG2-CG2 4.19Å; I78-I97 HydrophobicContact CG2-CB 3.99Å; I78-I97 HydrophobicContact CG2-CD1 3.92Å; I78-I97 HydrophobicContact CG2-CG2 4Å; V82-I97 HydrophobicContact CG2-CD1 3.58Å; M87-I97 HydrophobicContact CE-CD1 4.44Å; M87-I97 HydrophobicContact CG-CD1 3.66Å; M87-I97 HydrophobicContact SD-CD1 3.63Å; M87-I97 HydrophobicContact SD-CG1 3.88Å; T91-I97 HydrophobicContact CG2-CG1 4.09Å; D93-I97 PolarHBondContact O-N 3.3Å; G94-I97 PolarHBondContact O-N 3.06Å; I97-R99 PolarHBondContact O-N 2.77Å; I97-A100 WeakPolarHBondContact O-CB 3.24Å; I97-A100 PolarHBondContact O-N 3.49Å; I97-L101 HydrophobicContact CG2-CD1 3.84Å; I97-L101 HydrophobicContact CG2-CG 4.39Å; I97-L101 WeakPolarHBondContact O-CG 3.27Å; I97-L101 PolarHBondContact O-N 3.25Å; I97-L101 VanDerWaalsContact O-N 3.13Å
98A94.8Very high93.2Very high10 Ų1069.6 Ų69.68%0.08336%0.357CS..Hα-helixtrans-55.5-37.3175.200000112.4I78 G94 L101 R102 L109 G113I78-A98 HydrophobicContact CD1-CB 3.9Å; G94-A98 WeakPolarHBondContact O-CB 3.16Å; G94-A98 PolarHBondContact O-N 2.96Å; A98-L101 PolarHBondContact O-N 2.88Å; A98-R102 WeakPolarHBondContact O-CG 3.41Å; A98-L109 VanDerWaalsContact O-CD1 3.24Å; A98-L109 WeakPolarHBondContact O-CD1 3.45Å; A98-G113 WeakPolarHBondContact CB-O 3.24Å
99R93.9Very high93.2Very high124 Ų12466 Ų6647%0.46834%0.343SS..Hα-helixtrans-66.5-36.6174.1-173.1177.464.3-177.7-3.6113.2K95 L96 I97 L101K95-R99 PolarHBondContact O-N 2.87Å; K95-R99 VanDerWaalsContact O-N 3.13Å; L96-R99 PolarHBondContact O-N 2.97Å; I97-R99 PolarHBondContact O-N 2.77Å; R99-L101 VanDerWaalsContact C-N 3.35Å
100A94.6Very high93.2Very high7 Ų758.7 Ų58.76%0.05831%0.313CS..Hα-helixtrans-66.8-35.9177.500000112.6L42 I45 L96 I97 R102L42-A100 HydrophobicContact CB-CB 4.4Å; L42-A100 HydrophobicContact CD2-CB 3.83Å; I45-A100 HydrophobicContact CB-CB 4.12Å; I45-A100 HydrophobicContact CG2-CB 3.67Å; L96-A100 PolarHBondContact O-N 2.99Å; I97-A100 WeakPolarHBondContact O-CB 3.24Å; I97-A100 PolarHBondContact O-N 3.49Å; A100-R102 VanDerWaalsContact C-N 3.34Å; A100-R102 PolarHBondContact O-N 3.15Å
101L94.4Very high93Very high2 Ų264.5 Ų64.51%0.0134%0.343CS..G310 helixtrans-88.58.6-174.2-55.9177000114.3V49 I97 A98 R99 S103 S104 V107 L109 I116V49-L101 HydrophobicContact CB-CD1 4.46Å; V49-L101 HydrophobicContact CB-CD2 3.68Å; V49-L101 HydrophobicContact CG1-CD1 3.93Å; V49-L101 HydrophobicContact CG1-CD2 3.77Å; V49-L101 HydrophobicContact CG2-CD1 4.36Å; V49-L101 HydrophobicContact CG2-CD2 4.08Å; I97-L101 HydrophobicContact CG2-CD1 3.84Å; I97-L101 HydrophobicContact CG2-CG 4.39Å; I97-L101 WeakPolarHBondContact O-CG 3.27Å; I97-L101 PolarHBondContact O-N 3.25Å; I97-L101 VanDerWaalsContact O-N 3.13Å; A98-L101 PolarHBondContact O-N 2.88Å; R99-L101 VanDerWaalsContact C-N 3.35Å; L101-S103 PolarHBondContact O-N 3.19Å; L101-S104 PolarHBondContact O-OG 2.99Å; L101-V107 HydrophobicContact CB-CG2 4.37Å; L101-V107 HydrophobicContact CD1-CG2 4.31Å; L101-V107 HydrophobicContact CD2-CG2 4.01Å; L101-V107 HydrophobicContact CG-CG2 4.44Å; L101-L109 HydrophobicContact CB-CD2 3.88Å; L101-L109 HydrophobicContact CB-CG 4.37Å; L101-L109 HydrophobicContact CD1-CD2 4.3Å; L101-I116 HydrophobicContact CD1-CD1 4.04Å; L101-I116 HydrophobicContact CD1-CG2 4.01Å
102R91.8Very high92.7Very high198 Ų19871 Ų7175%0.74737%0.372SS*.G310 helixtrans-68.2-25.9173.1-66.3-172.7177.5-169.1-4.6112.8A98 A100 L109A98-R102 WeakPolarHBondContact O-CG 3.41Å; A100-R102 VanDerWaalsContact C-N 3.34Å; A100-R102 PolarHBondContact O-N 3.15Å; R102-L109 HydrophobicContact CG-CD1 3.99Å
103S88.4Confident92.5Very high111 Ų11167.2 Ų67.278%0.77635%0.353SS*.G310 helixtrans-116.514.8-176.659.90000113.9L101L101-S103 PolarHBondContact O-N 3.19Å
104S91.8Very high92.4Very high4 Ų465.6 Ų65.63%0.02835%0.347CS..  trans-69.9142.1176.340.30000111.9D50 L101 V107 K119D50-S104 VanDerWaalsContact OD1-CB 3.26Å; D50-S104 WeakPolarHBondContact OD1-CB 3.32Å; L101-S104 PolarHBondContact O-OG 2.99Å; S104-V107 VanDerWaalsContact OG-CG2 3.29Å; S104-V107 WeakPolarHBondContact OG-CG2 3.37Å; S104-V107 PolarHBondContact OG-O 3.4Å; S104-K119 PolarHBondContact O-NZ 3.25Å
105A90.1Very high92.4Very high83 Ų8368 Ų6869%0.68635%0.347SS*.SBendtrans-82.7-28.9176.600000112.5
106V91.9Very high92.5Very high41 Ų4158.8 Ų58.825%0.24831%0.307CS..SBendtrans-91.1-44-173.1-171.80000112D50 F53 R118 K119D50-V106 HydrophobicContact CB-CB 4.35Å; D50-V106 HydrophobicContact CB-CG2 3.95Å; D50-V106 WeakPolarHBondContact OD1-CB 3.26Å; F53-V106 HydrophobicContact CB-CG1 4.26Å; V106-R118 WeakPolarHBondContact O-CA 3.5Å; V106-K119 PolarHBondContact O-N 3.41Å
107V94.3Very high92.5Very high0 Ų061 Ų610%031%0.313CS..EExtended strand (participates in β ladder)trans-109.4153.9-176.6-58.30000113.9V49 F53 L101 S104 R117 K119V49-V107 HydrophobicContact CG1-CG1 4.42Å; V49-V107 HydrophobicContact CG1-CG2 4.07Å; F53-V107 HydrophobicContact CB-CG1 3.44Å; F53-V107 VanDerWaalsContact CB-CG1 3.44Å; F53-V107 HydrophobicContact CD1-CG1 4.16Å; F53-V107 HydrophobicContact CD2-CG1 4.02Å; F53-V107 HydrophobicContact CG-CG1 3.6Å; L101-V107 HydrophobicContact CB-CG2 4.37Å; L101-V107 HydrophobicContact CD1-CG2 4.31Å; L101-V107 HydrophobicContact CD2-CG2 4.01Å; L101-V107 HydrophobicContact CG-CG2 4.44Å; S104-V107 VanDerWaalsContact OG-CG2 3.29Å; S104-V107 WeakPolarHBondContact OG-CG2 3.37Å; S104-V107 PolarHBondContact OG-O 3.4Å; V107-R117 CarbonylContact C-O 3.59Å; V107-R117 WeakPolarHBondContact CA-O 3.42Å; V107-R117 VanDerWaalsContact CB-O 3.31Å; V107-R117 WeakPolarHBondContact CB-O 3.34Å; V107-K119 WeakPolarHBondContact O-CE 3.35Å; V107-K119 PolarHBondContact O-NZ 2.88Å
108E93.5Very high92.5Very high57 Ų5762.5 Ų62.527%0.26632%0.318SS..EExtended strand (participates in β ladder)trans-121.1162.4168.457.4-175.8-149.600111.3I116 R117 K119E108-I116 CarbonylContact O-C 3.56Å; E108-I116 VanDerWaalsContact O-CA 3.25Å; E108-I116 WeakPolarHBondContact O-CA 3.32Å; E108-R117 HydrophobicContact CG-CG 3.76Å; E108-R117 PolarHBondContact N-O 2.71Å; E108-R117 PolarHBondContact O-N 3.46Å; E108-R117 IonicContact OE1-CZ 2.7Å; E108-R117 IonicContact OE1-NE 3.19Å; E108-R117 PolarHBondContact OE1-NE 3.43Å; E108-R117 IonicContact OE1-NH2 3.43Å; E108-R117 PolarHBondContact OE1-NH2 2.9Å; E108-K119 HydrophobicContact CB-CD 4.33Å; E108-K119 HydrophobicContact CB-CG 3.71Å; E108-K119 HydrophobicContact CG-CG 3.88Å; E108-K119 WeakPolarHBondContact OE2-CG 3.3Å
109L94.1Very high92.3Very high42 Ų4266.5 Ų66.522%0.2233%0.334CS..EExtended strand (participates in β ladder)trans-105.3148-179-60.3176.6000110.1A98 L101 R102 I116A98-L109 VanDerWaalsContact O-CD1 3.24Å; A98-L109 WeakPolarHBondContact O-CD1 3.45Å; L101-L109 HydrophobicContact CB-CD2 3.88Å; L101-L109 HydrophobicContact CB-CG 4.37Å; L101-L109 HydrophobicContact CD1-CD2 4.3Å; R102-L109 HydrophobicContact CG-CD1 3.99Å; L109-I116 HydrophobicContact CD2-CB 4.39Å; L109-I116 HydrophobicContact CD2-CG2 3.46Å; L109-I116 VanDerWaalsContact CD2-CG2 3.46Å
110D93Very high92.2Very high30 Ų3068.2 Ų68.216%0.1635%0.345CS..  trans-67164.3164.5-160.1-1.8000111.3Y75 E112 G113 R115Y75-D110 HydrophobicContact CD1-CB 4.29Å; Y75-D110 HydrophobicContact CE1-CB 3.81Å; D110-E112 VanDerWaalsContact C-N 3.26Å; D110-E112 PolarHBondContact O-N 2.92Å; D110-G113 WeakPolarHBondContact O-CA 3.07Å; D110-G113 PolarHBondContact O-N 2.81Å; D110-R115 HydrophobicContact CB-CB 4.08Å; D110-R115 PolarHBondContact N-O 2.67Å; D110-R115 IonicContact OD2-CZ 2.82Å; D110-R115 IonicContact OD2-NE 2.64Å; D110-R115 PolarHBondContact OD2-NE 3.42Å; D110-R115 IonicContact OD2-NH2 3.16Å; D110-R115 PolarHBondContact OD2-NH2 2.89Å
111L88.8Confident91.8Very high179 Ų17973.4 Ų73.494%0.93738%0.378SS*.THydrogen-bonded Turntrans-56.8-37.2-176.1-64.9175000112.9G113L111-G113 VanDerWaalsContact C-N 3.3Å
112E88.9Confident91.4Very high154 Ų15476 Ų7672%0.7239%0.392SS*.THydrogen-bonded Turntrans-76.5-15.3176.4-57.6-179.2160.700113.6D110 T114D110-E112 VanDerWaalsContact C-N 3.26Å; D110-E112 PolarHBondContact O-N 2.92Å; E112-T114 HydrophobicContact CB-CG2 3.82Å; E112-T114 WeakPolarHBondContact CB-OG1 3.46Å; E112-T114 PolarHBondContact O-N 3.2Å; E112-T114 WeakPolarHBondContact OE2-CG2 3.42Å; E112-T114 PolarHBondContact OE2-OG1 2.76Å
113G90Very high91.1Very high19 Ų1969.2 Ų69.220%0.19638%0.383CS..SBendtrans68.317.4-169.500000114.5I78 A98 D110 L111I78-G113 VanDerWaalsContact CD1-O 3.26Å; I78-G113 WeakPolarHBondContact CD1-O 3.43Å; A98-G113 WeakPolarHBondContact CB-O 3.24Å; D110-G113 WeakPolarHBondContact O-CA 3.07Å; D110-G113 PolarHBondContact O-N 2.81Å; L111-G113 VanDerWaalsContact C-N 3.3Å
114T92.2Very high91Very high56 Ų5672.3 Ų72.334%0.34439%0.385SS..SBendtrans-87.5-35.3179.948.80000112.9I78 E112I78-T114 WeakPolarHBondContact CB-O 3.21Å; I78-T114 VanDerWaalsContact CG1-O 3.32Å; I78-T114 WeakPolarHBondContact CG1-O 3.38Å; I78-T114 PolarHBondContact N-O 2.61Å; E112-T114 HydrophobicContact CB-CG2 3.82Å; E112-T114 WeakPolarHBondContact CB-OG1 3.46Å; E112-T114 PolarHBondContact O-N 3.2Å; E112-T114 WeakPolarHBondContact OE2-CG2 3.42Å; E112-T114 PolarHBondContact OE2-OG1 2.76Å
115R93.5Very high90.7Very high80 Ų8079 Ų7930%0.30241%0.41SS..EExtended strand (participates in β ladder)trans-120.3156.7-177.3-48.9-176.6-63.7151.12.5111.5D73 Y75 V76 D110D73-R115 IonicContact OD2-CZ 2.66Å; D73-R115 IonicContact OD2-NH1 3.51Å; D73-R115 PolarHBondContact OD2-NH1 2.66Å; D73-R115 IonicContact OD2-NH2 2.73Å; D73-R115 PolarHBondContact OD2-NH2 3.21Å; Y75-R115 HydrophobicContact CD1-CB 3.93Å; Y75-R115 HydrophobicContact CG-CB 4.31Å; V76-R115 CarbonylContact O-C 3.59Å; V76-R115 WeakPolarHBondContact O-CA 3.5Å; D110-R115 HydrophobicContact CB-CB 4.08Å; D110-R115 PolarHBondContact N-O 2.67Å; D110-R115 IonicContact OD2-CZ 2.82Å; D110-R115 IonicContact OD2-NE 2.64Å; D110-R115 PolarHBondContact OD2-NE 3.42Å; D110-R115 IonicContact OD2-NH2 3.16Å; D110-R115 PolarHBondContact OD2-NH2 2.89Å
116I94.6Very high90.5Very high0 Ų077.2 Ų77.20%039%0.391CS..EExtended strand (participates in β ladder)trans-132.3151.6179.978.1175.3000111.6V49 F53 Y75 V76 I78 L81 L101 E108 L109V49-I116 HydrophobicContact CG1-CD1 3.78Å; F53-I116 HydrophobicContact CD2-CD1 4.24Å; F53-I116 HydrophobicContact CE2-CD1 3.61Å; F53-I116 HydrophobicContact CE2-CG1 4.33Å; F53-I116 HydrophobicContact CZ-CD1 3.8Å; F53-I116 HydrophobicContact CZ-CG1 4Å; Y75-I116 CarbonylContact C-O 3.55Å; Y75-I116 WeakPolarHBondContact CA-O 3.36Å; V76-I116 PolarHBondContact N-O 2.96Å; V76-I116 PolarHBondContact O-N 3.01Å; I78-I116 HydrophobicContact CD1-CG2 3.87Å; I78-I116 HydrophobicContact CG1-CG2 3.62Å; L81-I116 HydrophobicContact CD1-CD1 4.18Å; L81-I116 HydrophobicContact CD2-CD1 3.54Å; L101-I116 HydrophobicContact CD1-CD1 4.04Å; L101-I116 HydrophobicContact CD1-CG2 4.01Å; E108-I116 CarbonylContact O-C 3.56Å; E108-I116 VanDerWaalsContact O-CA 3.25Å; E108-I116 WeakPolarHBondContact O-CA 3.32Å; L109-I116 HydrophobicContact CD2-CB 4.39Å; L109-I116 HydrophobicContact CD2-CG2 3.46Å; L109-I116 VanDerWaalsContact CD2-CG2 3.46Å
117R93.4Very high90.2Very high84 Ų8484.6 Ų84.632%0.31742%0.42SS..EExtended strand (participates in β ladder)trans-144.5170.7169.968.8178.9-177.8-167.2-1.8111.5D73 G74 Y75 V107 E108D73-R117 PolarHBondContact O-NH1 2.79Å; G74-R117 VanDerWaalsContact O-CB 3.27Å; G74-R117 WeakPolarHBondContact O-CB 3.36Å; Y75-R117 HydrophobicContact CD1-CB 3.83Å; Y75-R117 HydrophobicContact CD1-CG 3.9Å; Y75-R117 HydrophobicContact CE1-CB 4.1Å; Y75-R117 HydrophobicContact CE1-CG 3.64Å; Y75-R117 HydrophobicContact CE2-CG 4.5Å; Y75-R117 HydrophobicContact CG-CB 4.21Å; Y75-R117 HydrophobicContact CG-CG 4.42Å; V107-R117 CarbonylContact C-O 3.59Å; V107-R117 WeakPolarHBondContact CA-O 3.42Å; V107-R117 VanDerWaalsContact CB-O 3.31Å; V107-R117 WeakPolarHBondContact CB-O 3.34Å; E108-R117 HydrophobicContact CG-CG 3.76Å; E108-R117 PolarHBondContact N-O 2.71Å; E108-R117 PolarHBondContact O-N 3.46Å; E108-R117 IonicContact OE1-CZ 2.7Å; E108-R117 IonicContact OE1-NE 3.19Å; E108-R117 PolarHBondContact OE1-NE 3.43Å; E108-R117 IonicContact OE1-NH2 3.43Å; E108-R117 PolarHBondContact OE1-NH2 2.9Å
118R94Very high89.9Confident31 Ų3187.5 Ų87.512%0.11744%0.435CS..EExtended strand (participates in β ladder)trans-73137.9171.1-7517854.2132-9.7111.2F53 D55 V106 K120 P121F53-R118 HydrophobicContact CB-CG 3.99Å; F53-R118 HydrophobicContact CD1-CG 4.06Å; F53-R118 VanDerWaalsContact O-CD 3.27Å; F53-R118 WeakPolarHBondContact O-CD 3.49Å; F53-R118 PolarHBondContact O-NH1 2.82Å; D55-R118 IonicContact OD1-CZ 2.76Å; D55-R118 IonicContact OD1-NH1 2.79Å; D55-R118 PolarHBondContact OD1-NH1 3.02Å; D55-R118 IonicContact OD1-NH2 3.77Å; D55-R118 PolarHBondContact OD1-NH2 2.88Å; D55-R118 IonicContact OD2-NH2 2.73Å; V106-R118 WeakPolarHBondContact O-CA 3.5Å; R118-K120 VanDerWaalsContact CB-O 3.3Å; R118-K120 WeakPolarHBondContact CB-O 3.47Å; R118-K120 PolarHBondContact NE-O 3.39Å; R118-K120 PolarHBondContact NH2-O 3.39Å; R118-P121 PolarHBondContact NH2-O 2.85Å
119K92.2Very high89.6Confident94 Ų9485.6 Ų85.641%0.40943%0.426SS..SBendtrans-68.7-38169.9-74.3172.8171.71730112.6S104 V106 V107 E108S104-K119 PolarHBondContact O-NZ 3.25Å; V106-K119 PolarHBondContact O-N 3.41Å; V107-K119 WeakPolarHBondContact O-CE 3.35Å; V107-K119 PolarHBondContact O-NZ 2.88Å; E108-K119 HydrophobicContact CB-CD 4.33Å; E108-K119 HydrophobicContact CB-CG 3.71Å; E108-K119 HydrophobicContact CG-CG 3.88Å; E108-K119 WeakPolarHBondContact OE2-CG 3.3Å
120K89.9Confident89.4Confident160 Ų16087 Ų8770%0.69643%0.434SS*.SBendtrans-108.6133.4177.1-64.9-177.3179.2-178.90109.3R118R118-K120 VanDerWaalsContact CB-O 3.3Å; R118-K120 WeakPolarHBondContact CB-O 3.47Å; R118-K120 PolarHBondContact NE-O 3.39Å; R118-K120 PolarHBondContact NH2-O 3.39Å
121P86.6Confident89.4Confident116 Ų11691.1 Ų91.175%0.75345%0.452SS*.  trans-58.7159.7174.326.3-34.5000111.2R118R118-P121 PolarHBondContact NH2-O 2.85Å
122L86.9Confident89.6Confident58 Ų5884.6 Ų84.630%0.30442%0.415SS..  trans-72.5128.9169.9-170.667.9000108.4D55 L58D55-L122 WeakPolarHBondContact OD1-CD1 3.19Å; L58-L122 HydrophobicContact CB-CD1 4.25Å; L58-L122 HydrophobicContact CD2-CD1 4.36Å; L58-L122 HydrophobicContact CD2-CD2 4.41Å; L58-L122 HydrophobicContact CG-CD1 4.46Å; L58-L122 HydrophobicContact CG-CD2 4.21Å
123G84.6Confident89.8Confident54 Ų5477.5 Ų77.556%0.55738%0.382SS*.  trans-81.4-166.5178.900000113.4
124E87Confident90Very high177 Ų17776.6 Ų76.683%0.82737%0.373SS*.PPolyproline II helixtrans-67.6150.5162.6-68.7-172.1-16500110.7P126E124-P126 WeakPolarHBondContact O-CD 3.47Å
125R86Confident90Very high145 Ų14574.2 Ų74.255%0.54736%0.358SS..PPolyproline II helixtrans-67.8125.5179.5-172.8177.3176.8-146.5-4.3110.6H59 K127 E129H59-R125 HydrophobicContact CB-CG 4.49Å; H59-R125 WeakPolarHBondContact NE2-CA 3.18Å; R125-K127 PolarHBondContact O-N 3.15Å; R125-E129 IonicContact CZ-OE1 2.89Å; R125-E129 IonicContact CZ-OE2 2.66Å; R125-E129 IonicContact NE-OE2 3.4Å; R125-E129 PolarHBondContact NE-OE2 2.9Å; R125-E129 IonicContact NH2-OE1 2.66Å; R125-E129 PolarHBondContact NH2-OE1 3.01Å; R125-E129 IonicContact NH2-OE2 3.99Å; R125-E129 PolarHBondContact NH2-OE2 3.33Å
126P85.9Confident89.8Confident45 Ų4570.4 Ų70.429%0.29234%0.344SS..PPolyproline II helixtrans-55.3133.8175.9-25.634.6000112.1E124 D128 E129E124-P126 WeakPolarHBondContact O-CD 3.47Å; P126-D128 VanDerWaalsContact CB-OD1 3.31Å; P126-D128 WeakPolarHBondContact CB-OD1 3.49Å; P126-E129 WeakPolarHBondContact O-CB 3.36Å
127K84.9Confident89.4Confident196 Ų19671.5 Ų71.585%0.85235%0.348SS*.G310 helixtrans-80.5-32179.4-67.6172.4-178.4167.10111.4R125 E129R125-K127 PolarHBondContact O-N 3.15Å; K127-E129 PolarHBondContact O-N 2.78Å
128D87.3Confident88.8Confident60 Ų6070.6 Ų70.632%0.32135%0.35SS..G310 helixtrans-68.3-1.5171.356.7-74.9000114.3P126 D130 E131 R132P126-D128 VanDerWaalsContact CB-OD1 3.31Å; P126-D128 WeakPolarHBondContact CB-OD1 3.49Å; D128-D130 VanDerWaalsContact C-N 3.26Å; D128-D130 PolarHBondContact O-N 3.37Å; D128-E131 PolarHBondContact O-N 3.42Å; D128-R132 WeakPolarHBondContact O-CG 3.24Å; D128-R132 PolarHBondContact O-N 3.27Å; D128-R132 IonicContact OD2-CZ 2.61Å; D128-R132 IonicContact OD2-NE 2.66Å; D128-R132 PolarHBondContact OD2-NE 3.2Å; D128-R132 IonicContact OD2-NH2 2.67Å; D128-R132 PolarHBondContact OD2-NH2 2.69Å
129E88.7Confident88.3Confident18 Ų1869.8 Ų69.88%0.08435%0.348CS..G310 helixtrans-54.7-43174.3-173.1-164.4128.100111.3K60 R125 P126 K127 R132 T133K60-E129 WeakPolarHBondContact CE-OE1 3.41Å; K60-E129 IonicContact NZ-OE1 2.71Å; K60-E129 PolarHBondContact NZ-OE1 3.38Å; K60-E129 IonicContact NZ-OE2 3.91Å; R125-E129 IonicContact CZ-OE1 2.89Å; R125-E129 IonicContact CZ-OE2 2.66Å; R125-E129 IonicContact NE-OE2 3.4Å; R125-E129 PolarHBondContact NE-OE2 2.9Å; R125-E129 IonicContact NH2-OE1 2.66Å; R125-E129 PolarHBondContact NH2-OE1 3.01Å; R125-E129 IonicContact NH2-OE2 3.99Å; R125-E129 PolarHBondContact NH2-OE2 3.33Å; P126-E129 WeakPolarHBondContact O-CB 3.36Å; K127-E129 PolarHBondContact O-N 2.78Å; E129-R132 PolarHBondContact O-N 3.39Å; E129-T133 VanDerWaalsContact O-CG2 3.3Å; E129-T133 WeakPolarHBondContact O-CG2 3.39Å; E129-T133 PolarHBondContact O-N 2.94Å; E129-T133 VanDerWaalsContact O-N 3.16Å; E129-T133 PolarHBondContact O-OG1 3.07Å
130D89.6Confident87.8Confident70 Ų7067.5 Ų67.537%0.37434%0.343SS..THydrogen-bonded Turntrans-67.1-43.3178.8-83.1-25.3000110.8D128 R132 T133 K388D128-D130 VanDerWaalsContact C-N 3.26Å; D128-D130 PolarHBondContact O-N 3.37Å; D130-R132 PolarHBondContact O-N 3.3Å; D130-T133 PolarHBondContact O-N 3.06Å; D130-T133 PolarHBondContact O-OG1 2.7Å; D130-K388 HydrophobicContact CB-CB 4.27Å; D130-K388 HydrophobicContact CB-CG 3.71Å; D130-K388 WeakPolarHBondContact O-CB 3.18Å; D130-K388 WeakPolarHBondContact OD1-CE 3.47Å; D130-K388 VanDerWaalsContact OD1-CG 3.31Å; D130-K388 WeakPolarHBondContact OD1-CG 3.27Å
131E91.5Very high87.2Confident117 Ų11769.5 Ų69.555%0.54735%0.351SS..THydrogen-bonded Turntrans-58-33.6174-72.9-178.4-145.100113.3D128 T133 K183D128-E131 PolarHBondContact O-N 3.42Å; E131-T133 VanDerWaalsContact C-N 3.34Å; E131-K183 WeakPolarHBondContact OE2-CD 2.96Å; E131-K183 IonicContact OE2-NZ 2.8Å
132R93.4Very high87Confident43 Ų4370 Ų7016%0.16235%0.348CS..THydrogen-bonded Turntrans-85.3-2.5177.8-68-165.1-79.4153-3.1113.9D128 E129 D130 F180 E181 K183D128-R132 WeakPolarHBondContact O-CG 3.24Å; D128-R132 PolarHBondContact O-N 3.27Å; D128-R132 IonicContact OD2-CZ 2.61Å; D128-R132 IonicContact OD2-NE 2.66Å; D128-R132 PolarHBondContact OD2-NE 3.2Å; D128-R132 IonicContact OD2-NH2 2.67Å; D128-R132 PolarHBondContact OD2-NH2 2.69Å; E129-R132 PolarHBondContact O-N 3.39Å; D130-R132 PolarHBondContact O-N 3.3Å; R132-F180 PolarHBondContact O-N 2.75Å; R132-E181 WeakPolarHBondContact CD-O 3.18Å; R132-E181 PolarHBondContact NH1-O 2.69Å; R132-E181 IonicContact NH1-OE1 3.68Å; R132-K183 HydrophobicContact CG-CB 4.3Å
133T93.8Very high86.8Confident5 Ų568.3 Ų68.33%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-103.3142.5175.460.20000113.5E129 D130 E131 V178 E179 K388E129-T133 VanDerWaalsContact O-CG2 3.3Å; E129-T133 WeakPolarHBondContact O-CG2 3.39Å; E129-T133 PolarHBondContact O-N 2.94Å; E129-T133 VanDerWaalsContact O-N 3.16Å; E129-T133 PolarHBondContact O-OG1 3.07Å; D130-T133 PolarHBondContact O-N 3.06Å; D130-T133 PolarHBondContact O-OG1 2.7Å; E131-T133 VanDerWaalsContact C-N 3.34Å; T133-V178 CarbonylContact C-O 3.53Å; T133-V178 VanDerWaalsContact CA-O 3.3Å; T133-V178 WeakPolarHBondContact CA-O 3.38Å; T133-E179 HydrophobicContact CG2-CB 3.77Å; T133-E179 HydrophobicContact CG2-CG 3.74Å; T133-K388 WeakPolarHBondContact O-CB 3.4Å; T133-K388 PolarHBondContact O-N 2.99Å; T133-K388 WeakPolarHBondContact OG1-CB 3.46Å; T133-K388 WeakPolarHBondContact OG1-CD 3.37Å; T133-K388 VanDerWaalsContact OG1-CG 3.28Å; T133-K388 WeakPolarHBondContact OG1-CG 3.34Å
134V93.5Very high87Confident0 Ų071 Ų710%034%0.341CS..EExtended strand (participates in β ladder)trans-117.6135.3180-179.90000108.6V136 F177 V178 F180 A186 I190 V385 L386V134-V136 HydrophobicContact CG1-CG2 4.35Å; V134-F177 VanDerWaalsContact O-CA 3.31Å; V134-F177 WeakPolarHBondContact O-CA 3.31Å; V134-V178 PolarHBondContact N-O 2.94Å; V134-V178 PolarHBondContact O-N 3.1Å; V134-F180 HydrophobicContact CG2-CD2 4.05Å; V134-F180 HydrophobicContact CG2-CE2 3.92Å; V134-A186 HydrophobicContact CG2-CB 3.61Å; V134-I190 HydrophobicContact CG1-CG1 3.99Å; V134-I190 HydrophobicContact CG2-CD1 4.42Å; V134-I190 HydrophobicContact CG2-CG1 4.3Å; V134-V385 HydrophobicContact CG1-CG1 3.21Å; V134-L386 WeakPolarHBondContact CG1-O 3.46Å
135Y92.4Very high87.2Confident5 Ų566.3 Ų66.32%0.0232%0.319CS..EExtended strand (participates in β ladder)trans-90.5131.5170.9173.8-107.7000109.8E137 F175 F177 V385 L386 W391Y135-E137 HydrophobicContact CD1-CB 4.41Å; Y135-E137 HydrophobicContact CE1-CB 3.63Å; Y135-E137 HydrophobicContact CE1-CG 4.28Å; Y135-E137 WeakPolarHBondContact CE1-OE1 3.38Å; Y135-E137 PolarHBondContact OH-OE1 3.16Å; Y135-F175 HydrophobicContact CD2-CD2 4.15Å; Y135-F175 HydrophobicContact CE2-CB 3.69Å; Y135-F175 HydrophobicContact CE2-CD1 4.46Å; Y135-F175 AromaticContact CE2-CD2 3.48Å; Y135-F175 HydrophobicContact CE2-CD2 3.48Å; Y135-F175 VanDerWaalsContact CE2-CD2 3.48Å; Y135-F175 HydrophobicContact CE2-CE2 4.12Å; Y135-F175 AromaticContact CE2-CG 3.66Å; Y135-F175 HydrophobicContact CE2-CG 3.66Å; Y135-F177 HydrophobicContact CD2-CD1 4.17Å; Y135-F177 AromaticContact CD2-CE1 3.57Å; Y135-F177 HydrophobicContact CD2-CE1 3.57Å; Y135-F177 AromaticContact CD2-CZ 3.99Å; Y135-F177 HydrophobicContact CD2-CZ 3.99Å; Y135-F177 HydrophobicContact CG-CE1 4.26Å; Y135-V385 WeakPolarHBondContact O-CA 3.48Å; Y135-L386 HydrophobicContact CD1-CB 4.37Å; Y135-L386 HydrophobicContact CD1-CD1 4.16Å; Y135-L386 PolarHBondContact N-O 3.02Å; Y135-L386 PolarHBondContact O-N 3.36Å; Y135-W391 HydrophobicContact CD1-CB 4.29Å; Y135-W391 AromaticContact CD1-CD1 3.46Å; Y135-W391 VanDerWaalsContact CD1-CD1 3.46Å; Y135-W391 HydrophobicContact CD1-CG 4.1Å; Y135-W391 AromaticContact CD2-CD1 3.38Å; Y135-W391 HydrophobicContact CD2-CD2 4.28Å; Y135-W391 AromaticContact CD2-CG 3.85Å; Y135-W391 HydrophobicContact CD2-CG 3.85Å; Y135-W391 AromaticContact CD2-NE1 3.52Å; Y135-W391 AromaticContact CE1-CD1 3.47Å; Y135-W391 VanDerWaalsContact CE1-CD1 3.47Å; Y135-W391 HydrophobicContact CE1-CG 4.49Å; Y135-W391 AromaticContact CE1-NE1 3.99Å; Y135-W391 AromaticContact CE2-CD1 3.39Å; Y135-W391 HydrophobicContact CE2-CG 4.26Å; Y135-W391 AromaticContact CE2-NE1 3.17Å; Y135-W391 HydrophobicContact CG-CB 4.03Å; Y135-W391 AromaticContact CG-CD1 3.38Å; Y135-W391 AromaticContact CG-CG 3.73Å; Y135-W391 HydrophobicContact CG-CG 3.73Å; Y135-W391 AromaticContact CZ-CD1 3.44Å; Y135-W391 VanDerWaalsContact CZ-CD1 3.44Å; Y135-W391 AromaticContact CZ-NE1 3.45Å
136V90.2Very high87.4Confident1 Ų162.9 Ų62.91%0.00632%0.317CS..EExtended strand (participates in β ladder)trans-123.5118-178.9-1740000108.8V134 L139 F152 F175 A176 V178 L383 V385V134-V136 HydrophobicContact CG1-CG2 4.35Å; V136-L139 HydrophobicContact CG1-CD2 3.68Å; V136-L139 HydrophobicContact CG1-CG 4.13Å; V136-F152 HydrophobicContact CB-CZ 4.21Å; V136-F152 HydrophobicContact CG1-CE2 4.25Å; V136-F152 HydrophobicContact CG1-CZ 3.73Å; V136-F152 HydrophobicContact CG2-CE1 3.63Å; V136-F152 HydrophobicContact CG2-CE2 4.21Å; V136-F152 HydrophobicContact CG2-CZ 3.39Å; V136-F175 CarbonylContact O-C 3.57Å; V136-F175 WeakPolarHBondContact O-CA 3.48Å; V136-F175 VanDerWaalsContact O-CB 3.23Å; V136-F175 WeakPolarHBondContact O-CB 3.45Å; V136-A176 PolarHBondContact N-O 3.3Å; V136-A176 PolarHBondContact O-N 2.88Å; V136-V178 HydrophobicContact CG2-CG2 3.93Å; V136-L383 HydrophobicContact CG1-CD1 4.29Å; V136-L383 HydrophobicContact CG1-CD2 4.21Å; V136-V385 HydrophobicContact CG1-CG2 4.41Å
137E86.2Confident87.6Confident22 Ų2263.4 Ų63.410%0.10331%0.313CS..EExtended strand (participates in β ladder)trans-112.7161.9-179.6-175.1168.7-86.100110.4Y135 R384Y135-E137 HydrophobicContact CD1-CB 4.41Å; Y135-E137 HydrophobicContact CE1-CB 3.63Å; Y135-E137 HydrophobicContact CE1-CG 4.28Å; Y135-E137 WeakPolarHBondContact CE1-OE1 3.38Å; Y135-E137 PolarHBondContact OH-OE1 3.16Å; E137-R384 HydrophobicContact CB-CB 4.23Å; E137-R384 PolarHBondContact N-O 2.88Å; E137-R384 PolarHBondContact O-N 3.27Å; E137-R384 WeakPolarHBondContact OE2-CD 3.42Å; E137-R384 IonicContact OE2-CZ 2.7Å; E137-R384 IonicContact OE2-NE 2.59Å; E137-R384 IonicContact OE2-NH1 2.57Å; E137-R384 PolarHBondContact OE2-NH1 3.25Å
138L80.7Confident87.9Confident66 Ų6654.1 Ų54.135%0.34627%0.273SS..SBendtrans69.828.1-175.2-48.4177.2000114.7P140 G174 P197 A200 P382 R384L138-P140 WeakPolarHBondContact O-CD 3.28Å; L138-G174 PolarHBondContact N-O 3.14Å; L138-P197 HydrophobicContact CD1-CG 3.85Å; L138-A200 HydrophobicContact CD1-CB 4.23Å; L138-P382 WeakPolarHBondContact CD1-O 3.49Å; L138-R384 HydrophobicContact CD1-CB 4.43Å
139L83.9Confident88.1Confident13 Ų1355 Ų557%0.06828%0.276CS..  trans-67.8129.7175-67.7-179.6000112.1V136 V143 W147 I148 G174 A176 L383V136-L139 HydrophobicContact CG1-CD2 3.68Å; V136-L139 HydrophobicContact CG1-CG 4.13Å; L139-V143 HydrophobicContact CB-CG2 4.21Å; L139-V143 HydrophobicContact CD1-CG1 4.37Å; L139-V143 HydrophobicContact CD2-CG1 4.46Å; L139-V143 HydrophobicContact CD2-CG2 4.36Å; L139-W147 HydrophobicContact CD2-CH2 4.13Å; L139-W147 HydrophobicContact CD2-CZ3 3.67Å; L139-I148 HydrophobicContact CD1-CD1 4.38Å; L139-G174 PolarHBondContact N-O 3.2Å; L139-A176 HydrophobicContact CD1-CB 3.49Å; L139-A176 VanDerWaalsContact CD1-CB 3.49Å; L139-L383 HydrophobicContact CD2-CD2 3.86Å
140P80.6Confident88.2Confident47 Ų4762.6 Ų62.631%0.30530%0.303SS..  trans-54.5146.6171-28.234.6000113.6L138 N142 V143 I381L138-P140 WeakPolarHBondContact O-CD 3.28Å; P140-N142 WeakPolarHBondContact CB-OD1 3.37Å; P140-N142 PolarHBondContact O-N 3.15Å; P140-V143 HydrophobicContact CB-CG2 4.06Å; P140-V143 HydrophobicContact CG-CG2 4.24Å; P140-V143 WeakPolarHBondContact O-CB 3.49Å; P140-V143 VanDerWaalsContact O-CG2 3.3Å; P140-V143 WeakPolarHBondContact O-CG2 3.43Å; P140-V143 PolarHBondContact O-N 3.19Å; P140-I381 HydrophobicContact CG-CG2 4.2Å
141K78.1Confident88.1Confident201 Ų20160.8 Ų60.887%0.87430%0.295SS*.THydrogen-bonded Turntrans-59.1-18.7-175-65.2177.8-178.61750114.6
142N81.6Confident88.1Confident128 Ų12855.2 Ų55.268%0.68427%0.269SS*.THydrogen-bonded Turntrans-103.311.4-17961.9-13.4000113.7P140 N144P140-N142 WeakPolarHBondContact CB-OD1 3.37Å; P140-N142 PolarHBondContact O-N 3.15Å; N142-N144 PolarHBondContact O-N 2.98Å; N142-N144 PolarHBondContact O-ND2 2.91Å
143V83.5Confident88Confident21 Ų2155.2 Ų55.213%0.12728%0.282CS..  trans-64126.1178.5165.60000111.6L139 P140 W147 I148L139-V143 HydrophobicContact CB-CG2 4.21Å; L139-V143 HydrophobicContact CD1-CG1 4.37Å; L139-V143 HydrophobicContact CD2-CG1 4.46Å; L139-V143 HydrophobicContact CD2-CG2 4.36Å; P140-V143 HydrophobicContact CB-CG2 4.06Å; P140-V143 HydrophobicContact CG-CG2 4.24Å; P140-V143 WeakPolarHBondContact O-CB 3.49Å; P140-V143 VanDerWaalsContact O-CG2 3.3Å; P140-V143 WeakPolarHBondContact O-CG2 3.43Å; P140-V143 PolarHBondContact O-N 3.19Å; V143-W147 HydrophobicContact CB-CE3 4.37Å; V143-W147 HydrophobicContact CG1-CD2 4.43Å; V143-W147 HydrophobicContact CG1-CE3 3.64Å; V143-W147 HydrophobicContact CG1-CZ3 4.12Å; V143-W147 HydrophobicContact CG2-CD2 4.14Å; V143-W147 HydrophobicContact CG2-CE3 3.8Å; V143-W147 HydrophobicContact CG2-CH2 4.39Å; V143-W147 HydrophobicContact CG2-CZ3 3.95Å; V143-I148 HydrophobicContact CG1-CD1 3.77Å; V143-I148 HydrophobicContact CG1-CG1 3.59Å
144N89.3Confident87.8Confident111 Ų11161.2 Ų61.259%0.59431%0.308SS*.  trans-109.4158.2173.8-77.3-64.6000110.9N142 S146 W147 I148N142-N144 PolarHBondContact O-N 2.98Å; N142-N144 PolarHBondContact O-ND2 2.91Å; N144-S146 PolarHBondContact O-N 2.7Å; N144-S146 VanDerWaalsContact O-N 3.16Å; N144-W147 WeakPolarHBondContact O-CB 3.47Å; N144-W147 PolarHBondContact O-N 2.78Å; N144-I148 PolarHBondContact O-N 3.14Å
145H90.1Very high87.5Confident78 Ų7862.1 Ų62.136%0.36131%0.314SS..Hα-helixtrans-48-43.9175.2-61.283.7000112.8W147 I148 E149H145-W147 PolarHBondContact O-N 2.86Å; H145-I148 PolarHBondContact O-N 3.22Å; H145-I148 VanDerWaalsContact O-N 3.15Å; H145-E149 WeakPolarHBondContact O-CB 3.17Å; H145-E149 PolarHBondContact O-N 3.26Å
146S89.8Confident87.5Confident73 Ų7362.7 Ų62.751%0.5132%0.321SS..Hα-helixtrans-72.7-8.2179.3-46.10000115.2N144N144-S146 PolarHBondContact O-N 2.7Å; N144-S146 VanDerWaalsContact O-N 3.16Å
147W89.9Confident87.6Confident56 Ų5667 Ų6721%0.21234%0.344CS..Hα-helixtrans-85.8-44.9166177.296.1000109.7L139 V143 N144 H145 R150 V151 I381 L383L139-W147 HydrophobicContact CD2-CH2 4.13Å; L139-W147 HydrophobicContact CD2-CZ3 3.67Å; V143-W147 HydrophobicContact CB-CE3 4.37Å; V143-W147 HydrophobicContact CG1-CD2 4.43Å; V143-W147 HydrophobicContact CG1-CE3 3.64Å; V143-W147 HydrophobicContact CG1-CZ3 4.12Å; V143-W147 HydrophobicContact CG2-CD2 4.14Å; V143-W147 HydrophobicContact CG2-CE3 3.8Å; V143-W147 HydrophobicContact CG2-CH2 4.39Å; V143-W147 HydrophobicContact CG2-CZ3 3.95Å; N144-W147 WeakPolarHBondContact O-CB 3.47Å; N144-W147 PolarHBondContact O-N 2.78Å; H145-W147 PolarHBondContact O-N 2.86Å; W147-R150 PolarHBondContact O-N 2.86Å; W147-R150 VanDerWaalsContact O-N 3.14Å; W147-V151 HydrophobicContact CD2-CG2 4.08Å; W147-V151 HydrophobicContact CE3-CG2 4.39Å; W147-V151 HydrophobicContact CH2-CG2 4.26Å; W147-V151 HydrophobicContact CZ2-CG2 3.93Å; W147-V151 HydrophobicContact CZ3-CG2 4.47Å; W147-V151 WeakPolarHBondContact O-CG2 3.31Å; W147-V151 PolarHBondContact O-N 2.87Å; W147-I381 HydrophobicContact CZ2-CD1 3.87Å; W147-L383 HydrophobicContact CH2-CD1 4.12Å; W147-L383 HydrophobicContact CH2-CD2 4.3Å
148I91.3Very high88Confident1 Ų167.1 Ų67.11%0.00535%0.346CS..Hα-helixtrans-60-49.4176.1-59.8179.4000110.2L139 V143 N144 H145 R150 V151 F152 I161 I163 A176 V178L139-I148 HydrophobicContact CD1-CD1 4.38Å; V143-I148 HydrophobicContact CG1-CD1 3.77Å; V143-I148 HydrophobicContact CG1-CG1 3.59Å; N144-I148 PolarHBondContact O-N 3.14Å; H145-I148 PolarHBondContact O-N 3.22Å; H145-I148 VanDerWaalsContact O-N 3.15Å; I148-R150 PolarHBondContact O-N 3.3Å; I148-V151 PolarHBondContact O-N 3.18Å; I148-F152 HydrophobicContact CG2-CD2 3.77Å; I148-F152 HydrophobicContact CG2-CE2 4.39Å; I148-F152 HydrophobicContact CG2-CG 4.38Å; I148-F152 WeakPolarHBondContact O-CB 3.46Å; I148-F152 WeakPolarHBondContact O-CD2 3.29Å; I148-F152 PolarHBondContact O-N 3.07Å; I148-I161 HydrophobicContact CB-CD1 4.16Å; I148-I161 HydrophobicContact CB-CG2 4.4Å; I148-I161 HydrophobicContact CD1-CG2 3.82Å; I148-I161 HydrophobicContact CG2-CD1 3.97Å; I148-I161 HydrophobicContact CG2-CG1 4.29Å; I148-I161 HydrophobicContact CG2-CG2 4.12Å; I148-I163 HydrophobicContact CD1-CD1 3.78Å; I148-I163 HydrophobicContact CD1-CG1 3.89Å; I148-A176 HydrophobicContact CD1-CB 3.92Å; I148-V178 HydrophobicContact CG2-CG2 3.6Å
149E91.3Very high88.6Confident80 Ų8065.7 Ų65.737%0.37434%0.341SS..Hα-helixtrans-56.3-33.4176.4-171.9179.3-170.900112.4K47 H145 G153 I161K47-E149 IonicContact NZ-OE1 2.71Å; K47-E149 PolarHBondContact NZ-OE1 3.12Å; H145-E149 WeakPolarHBondContact O-CB 3.17Å; H145-E149 PolarHBondContact O-N 3.26Å; E149-G153 VanDerWaalsContact O-CA 3.28Å; E149-G153 WeakPolarHBondContact O-CA 3.31Å; E149-G153 PolarHBondContact O-N 3.42Å; E149-I161 HydrophobicContact CB-CD1 4.18Å
150R90.6Very high89.1Confident176 Ų17667.4 Ų67.466%0.66435%0.346SS*.Hα-helixtrans-78-38.5178.1-172.1-174.2-58.4127.36.2113.3W147 I148W147-R150 PolarHBondContact O-N 2.86Å; W147-R150 VanDerWaalsContact O-N 3.14Å; I148-R150 PolarHBondContact O-N 3.3Å
151V89.1Confident89.7Confident32 Ų3266.3 Ų66.319%0.19434%0.338CS..Hα-helixtrans-76.7-54.5-179.1173.60000110W147 I148 G153 K154 L193W147-V151 HydrophobicContact CD2-CG2 4.08Å; W147-V151 HydrophobicContact CE3-CG2 4.39Å; W147-V151 HydrophobicContact CH2-CG2 4.26Å; W147-V151 HydrophobicContact CZ2-CG2 3.93Å; W147-V151 HydrophobicContact CZ3-CG2 4.47Å; W147-V151 WeakPolarHBondContact O-CG2 3.31Å; W147-V151 PolarHBondContact O-N 2.87Å; I148-V151 PolarHBondContact O-N 3.18Å; V151-G153 VanDerWaalsContact C-N 3.32Å; V151-G153 PolarHBondContact O-N 3.13Å; V151-K154 WeakPolarHBondContact O-CB 3.28Å; V151-K154 PolarHBondContact O-N 3.43Å; V151-L193 HydrophobicContact CG1-CD1 4.03Å; V151-L193 HydrophobicContact CG1-CD2 4.05Å
152F90.7Very high90.4Very high0 Ų058.5 Ų58.50%031%0.309CS..Hα-helixtrans-76.1-21.2-177-70.7-95.5000112.6V136 I148 K154 C155 G156 V158 V178 F180 A189 L193 L383 V385V136-F152 HydrophobicContact CB-CZ 4.21Å; V136-F152 HydrophobicContact CG1-CE2 4.25Å; V136-F152 HydrophobicContact CG1-CZ 3.73Å; V136-F152 HydrophobicContact CG2-CE1 3.63Å; V136-F152 HydrophobicContact CG2-CE2 4.21Å; V136-F152 HydrophobicContact CG2-CZ 3.39Å; I148-F152 HydrophobicContact CG2-CD2 3.77Å; I148-F152 HydrophobicContact CG2-CE2 4.39Å; I148-F152 HydrophobicContact CG2-CG 4.38Å; I148-F152 WeakPolarHBondContact O-CB 3.46Å; I148-F152 WeakPolarHBondContact O-CD2 3.29Å; I148-F152 PolarHBondContact O-N 3.07Å; F152-K154 PolarHBondContact O-N 3.26Å; F152-C155 WeakPolarHBondContact O-CB 3.48Å; F152-C155 PolarHBondContact O-N 2.98Å; F152-G156 PolarHBondContact O-N 3.31Å; F152-V158 HydrophobicContact CB-CG2 3.92Å; F152-V178 HydrophobicContact CB-CG1 4.08Å; F152-V178 HydrophobicContact CD1-CB 4.47Å; F152-V178 HydrophobicContact CD1-CG1 4.27Å; F152-V178 HydrophobicContact CD1-CG2 4.27Å; F152-V178 HydrophobicContact CD2-CG2 4.42Å; F152-V178 HydrophobicContact CG-CG1 4.2Å; F152-V178 HydrophobicContact CG-CG2 4.25Å; F152-F180 HydrophobicContact CB-CZ 3.98Å; F152-F180 HydrophobicContact CD1-CE2 4.43Å; F152-F180 HydrophobicContact CD1-CZ 4.05Å; F152-A189 HydrophobicContact CD1-CB 4.24Å; F152-L193 HydrophobicContact CD1-CD1 3.51Å; F152-L193 HydrophobicContact CD2-CD1 4.27Å; F152-L193 HydrophobicContact CE1-CD1 3.42Å; F152-L193 VanDerWaalsContact CE1-CD1 3.42Å; F152-L193 HydrophobicContact CE2-CD1 4.19Å; F152-L193 HydrophobicContact CG-CD1 3.94Å; F152-L193 HydrophobicContact CZ-CD1 3.76Å; F152-L383 HydrophobicContact CE2-CD1 4.2Å; F152-L383 HydrophobicContact CZ-CD1 4.1Å; F152-V385 HydrophobicContact CE1-CG1 4.33Å; F152-V385 HydrophobicContact CZ-CG2 4.41Å
153G91Very high90.8Very high43 Ų4353.4 Ų53.444%0.44328%0.281SS..THydrogen-bonded Turntrans-64-13.2169.200000114.9E149 V151 C155E149-G153 VanDerWaalsContact O-CA 3.28Å; E149-G153 WeakPolarHBondContact O-CA 3.31Å; E149-G153 PolarHBondContact O-N 3.42Å; V151-G153 VanDerWaalsContact C-N 3.32Å; V151-G153 PolarHBondContact O-N 3.13Å; G153-C155 VanDerWaalsContact C-N 3.27Å
154K89.2Confident91.1Very high131 Ų13153.7 Ų53.757%0.5728%0.283SS*.THydrogen-bonded Turntrans-67.4-28.1165.9-70.2-173.1176.2-175.30112V151 F152 F192 E378V151-K154 WeakPolarHBondContact O-CB 3.28Å; V151-K154 PolarHBondContact O-N 3.43Å; F152-K154 PolarHBondContact O-N 3.26Å; K154-F192 HydrophobicContact CD-CE1 4.16Å; K154-E378 IonicContact NZ-OE1 3.79Å; K154-E378 PolarHBondContact NZ-OE1 2.8Å
155C88.6Confident91Very high19 Ų1952.5 Ų52.513%0.12827%0.274CS..THydrogen-bonded Turntrans-100.8-22.2-169.6-54.90000113.7F152 G153 F180 A189F152-C155 WeakPolarHBondContact O-CB 3.48Å; F152-C155 PolarHBondContact O-N 2.98Å; G153-C155 VanDerWaalsContact C-N 3.27Å; C155-F180 HydrophobicContact CB-CE1 4.49Å; C155-F180 HydrophobicContact CB-CZ 4.45Å; C155-A189 HydrophobicContact CB-CB 3.84Å
156G91.6Very high90.7Very high17 Ų1751.8 Ų51.818%0.17527%0.269CS..SBendtrans173.8-178.4-179.500000114.1F152 V158F152-G156 PolarHBondContact O-N 3.31Å; G156-V158 PolarHBondContact O-N 3.34Å
157N93.3Very high90.4Very high91 Ų9158.9 Ų58.949%0.48729%0.29SS..  trans-78.1115.1175.2-177.236.6000109.6V159 F180 E181N157-V159 PolarHBondContact O-N 3.49Å; N157-F180 WeakPolarHBondContact O-CA 3.47Å; N157-E181 HydrophobicContact CB-CB 4.2Å; N157-E181 PolarHBondContact ND2-OE2 3.29Å; N157-E181 PolarHBondContact O-N 2.85Å; N157-E181 VanDerWaalsContact O-N 3.15Å
158V94Very high90Very high25 Ų2560.2 Ų60.215%0.15231%0.308CS..EExtended strand (participates in β ladder)trans-86.8106.5180179.40000109.7F152 G156 I161 V178 E179 F180F152-V158 HydrophobicContact CB-CG2 3.92Å; G156-V158 PolarHBondContact O-N 3.34Å; V158-I161 HydrophobicContact CG1-CD1 3.81Å; V158-I161 HydrophobicContact CG1-CG1 3.45Å; V158-I161 VanDerWaalsContact CG1-CG1 3.45Å; V158-V178 HydrophobicContact CB-CG1 4.44Å; V158-V178 HydrophobicContact CG1-CG1 3.65Å; V158-V178 HydrophobicContact CG2-CG1 3.94Å; V158-E179 CarbonylContact C-O 3.16Å; V158-E179 WeakPolarHBondContact CA-O 3.45Å; V158-F180 HydrophobicContact CG2-CD1 4.2Å; V158-F180 HydrophobicContact CG2-CE1 3.69Å; V158-F180 HydrophobicContact CG2-CZ 4.22Å
159V93.2Very high89.7Confident37 Ų3764.4 Ų64.422%0.22433%0.334CS..EExtended strand (participates in β ladder)trans-81.7-38.5-175-1700000111.4F51 A56 N157 E179 E181F51-V159 WeakPolarHBondContact CE2-O 3.45Å; A56-V159 HydrophobicContact CB-CG1 3.59Å; N157-V159 PolarHBondContact O-N 3.49Å; V159-E179 PolarHBondContact N-O 2.96Å; V159-E181 HydrophobicContact CG2-CB 4.01Å; V159-E181 WeakPolarHBondContact CG2-OE2 3.06Å
160Y93.7Very high89.3Confident49 Ų4962.9 Ų62.919%0.19234%0.339CS..EExtended strand (participates in β ladder)trans-147.6147-178.9-171.5-94.4000111.9F51 N57 K60 E179F51-Y160 AromaticContact CE2-CD2 3.96Å; F51-Y160 HydrophobicContact CE2-CD2 3.96Å; F51-Y160 AromaticContact CZ-CD2 3.69Å; F51-Y160 HydrophobicContact CZ-CD2 3.69Å; F51-Y160 AromaticContact CZ-CE2 3.98Å; F51-Y160 HydrophobicContact CZ-CE2 3.98Å; N57-Y160 HydrophobicContact CB-CD2 4.46Å; N57-Y160 HydrophobicContact CB-CE2 4.43Å; K60-Y160 HydrophobicContact CD-CD1 4.22Å; K60-Y160 HydrophobicContact CD-CE1 3.95Å; Y160-E179 WeakPolarHBondContact CB-OE2 3.49Å; Y160-E179 PolarHBondContact N-O 3.41Å; Y160-E179 WeakPolarHBondContact O-CB 3.36Å; Y160-E179 PolarHBondContact O-N 2.88Å
161I93.9Very high88.9Confident23 Ų2358.6 Ų58.612%0.11833%0.33CS..EExtended strand (participates in β ladder)trans-132.5124.7-179.9-59.4173.1000108.2I148 E149 V158 I163I148-I161 HydrophobicContact CB-CD1 4.16Å; I148-I161 HydrophobicContact CB-CG2 4.4Å; I148-I161 HydrophobicContact CD1-CG2 3.82Å; I148-I161 HydrophobicContact CG2-CD1 3.97Å; I148-I161 HydrophobicContact CG2-CG1 4.29Å; I148-I161 HydrophobicContact CG2-CG2 4.12Å; E149-I161 HydrophobicContact CB-CD1 4.18Å; V158-I161 HydrophobicContact CG1-CD1 3.81Å; V158-I161 HydrophobicContact CG1-CG1 3.45Å; V158-I161 VanDerWaalsContact CG1-CG1 3.45Å; I161-I163 HydrophobicContact CG2-CG1 4.17Å
162S92.3Very high88.7Confident38 Ų3859.4 Ų59.427%0.26634%0.335SS..EExtended strand (participates in β ladder)trans-116117.6175.1-166.40000109.9P164 A176 F177S162-P164 WeakPolarHBondContact O-CD 3.49Å; S162-A176 CarbonylContact O-C 3.52Å; S162-A176 WeakPolarHBondContact O-CA 3.24Å; S162-A176 VanDerWaalsContact O-CB 3.3Å; S162-A176 WeakPolarHBondContact O-CB 3.34Å; S162-F177 PolarHBondContact N-O 3.41Å; S162-F177 PolarHBondContact O-N 3.41Å
163I91.6Very high88.3Confident21 Ų2162.9 Ų62.911%0.10835%0.351CS..  trans-109100.6171.3-52.5178000107.6I148 I161 H165 P172 A176I148-I163 HydrophobicContact CD1-CD1 3.78Å; I148-I163 HydrophobicContact CD1-CG1 3.89Å; I161-I163 HydrophobicContact CG2-CG1 4.17Å; I163-H165 PolarHBondContact O-CE1 2.87Å; I163-H165 VanDerWaalsContact O-CE1 3.26Å; I163-H165 PolarHBondContact O-N 2.81Å; I163-H165 PolarHBondContact O-ND1 3.44Å; I163-P172 HydrophobicContact CG2-CB 4.4Å; I163-A176 HydrophobicContact CG1-CB 4.34Å
164P89.5Confident87.9Confident27 Ų2762.2 Ų62.218%0.17534%0.343CS..PPolyproline II helixtrans-78.1122.1-176.1-21.938.5000112.1S162 K173 F175 F177S162-P164 WeakPolarHBondContact O-CD 3.49Å; P164-K173 HydrophobicContact CB-CD 4.24Å; P164-K173 VanDerWaalsContact O-CB 3.32Å; P164-K173 WeakPolarHBondContact O-CB 3.32Å; P164-K173 WeakPolarHBondContact O-CD 3.43Å; P164-K173 WeakPolarHBondContact O-CG 3.35Å; P164-K173 PolarHBondContact O-N 3.15Å; P164-K173 VanDerWaalsContact O-N 3.16Å; P164-F175 HydrophobicContact CB-CE2 4.15Å; P164-F175 HydrophobicContact CB-CZ 4.26Å; P164-F175 WeakPolarHBondContact CD-O 3.16Å; P164-F175 HydrophobicContact CG-CD2 4.26Å; P164-F175 HydrophobicContact CG-CE2 3.68Å; P164-F175 HydrophobicContact CG-CZ 4.28Å; P164-F177 HydrophobicContact CG-CD2 4.38Å; P164-F177 HydrophobicContact CG-CE2 4.33Å
165H86.7Confident87.9Confident85 Ų8557 Ų5739%0.39432%0.321SS..BIsolated β-bridgetrans-99163.8178.5-62.474.6000112I163 G170 D171 K173I163-H165 PolarHBondContact O-CE1 2.87Å; I163-H165 VanDerWaalsContact O-CE1 3.26Å; I163-H165 PolarHBondContact O-N 2.81Å; I163-H165 PolarHBondContact O-ND1 3.44Å; H165-G170 PolarHBondContact CD2-O 2.88Å; H165-D171 CarbonylContact C-O 3.56Å; H165-D171 WeakPolarHBondContact CA-O 3.04Å; H165-D171 WeakPolarHBondContact CB-O 3.25Å; H165-K173 WeakPolarHBondContact O-CE 3.33Å; H165-K173 PolarHBondContact O-NZ 3.15Å; H165-K173 VanDerWaalsContact O-NZ 3.15Å
166Y83.6Confident88.1Confident64 Ų6456.1 Ų56.125%0.25132%0.315SS..PPolyproline II helixtrans-79.2125172.5-71.9-81000110.8S168 G170 D171 K173 P208Y166-S168 PolarHBondContact O-N 3.23Å; Y166-S168 VanDerWaalsContact O-N 3.09Å; Y166-G170 WeakPolarHBondContact O-CA 3.34Å; Y166-G170 PolarHBondContact O-N 3.42Å; Y166-D171 HydrophobicContact CD2-CB 4.1Å; Y166-D171 WeakPolarHBondContact CD2-O 3.41Å; Y166-D171 PolarHBondContact N-O 3.22Å; Y166-K173 HydrophobicContact CD1-CG 4.32Å; Y166-K173 HydrophobicContact CD2-CG 3.75Å; Y166-K173 HydrophobicContact CE1-CG 4.12Å; Y166-K173 HydrophobicContact CE2-CB 4.26Å; Y166-K173 HydrophobicContact CE2-CG 3.56Å; Y166-K173 HydrophobicContact CG-CG 4.15Å; Y166-P208 WeakPolarHBondContact OH-CB 3.44Å; Y166-P208 WeakPolarHBondContact OH-CG 3.36Å
167K83.7Confident88.2Confident222 Ų22256.5 Ų56.597%0.96531%0.312SS*.THydrogen-bonded Turntrans-65.5-11.3-179.2-66-164176.5-165.80114.9
168S82.4Confident88.2Confident84 Ų8452.2 Ų52.259%0.58729%0.289SS*.THydrogen-bonded Turntrans-95.6-38.3-176.845.20000113.7Y166Y166-S168 PolarHBondContact O-N 3.23Å; Y166-S168 VanDerWaalsContact O-N 3.09Å
169T84.1Confident88.2Confident89 Ų8951.5 Ų51.555%0.54628%0.284SS..THydrogen-bonded Turntrans-118.1-17.2-174.153.60000113.2D171T169-D171 VanDerWaalsContact C-N 3.3Å; T169-D171 WeakPolarHBondContact CB-OD2 3.38Å; T169-D171 PolarHBondContact OG1-OD2 2.89Å
170G82.4Confident88.3Confident47 Ų4749.8 Ų49.849%0.48527%0.273SS..  trans84.5-7.1-173.200000114.6H165 Y166H165-G170 PolarHBondContact CD2-O 2.88Å; Y166-G170 WeakPolarHBondContact O-CA 3.34Å; Y166-G170 PolarHBondContact O-N 3.42Å
171D81.9Confident88.3Confident87 Ų8751.8 Ų51.847%0.46528%0.284SS..  trans-66146.8-174.9-57.6-59.3000113.5H165 Y166 T169H165-D171 CarbonylContact C-O 3.56Å; H165-D171 WeakPolarHBondContact CA-O 3.04Å; H165-D171 WeakPolarHBondContact CB-O 3.25Å; Y166-D171 HydrophobicContact CD2-CB 4.1Å; Y166-D171 WeakPolarHBondContact CD2-O 3.41Å; Y166-D171 PolarHBondContact N-O 3.22Å; T169-D171 VanDerWaalsContact C-N 3.3Å; T169-D171 WeakPolarHBondContact CB-OD2 3.38Å; T169-D171 PolarHBondContact OG1-OD2 2.89Å
172P84.8Confident88.3Confident48 Ų4853.2 Ų53.231%0.31229%0.294SS..BIsolated β-bridgetrans-68.6144.717029.4-34.4000111.1I163 G174I163-P172 HydrophobicContact CG2-CB 4.4Å; P172-G174 VanDerWaalsContact C-N 3.26Å; P172-G174 PolarHBondContact O-N 3.39Å
173K82.5Confident88.4Confident74 Ų7457.5 Ų57.532%0.32231%0.308SS..  trans-80.65.1-177.8-70.1174.8-172.2155.10115.6P164 H165 Y166 F175P164-K173 HydrophobicContact CB-CD 4.24Å; P164-K173 VanDerWaalsContact O-CB 3.32Å; P164-K173 WeakPolarHBondContact O-CB 3.32Å; P164-K173 WeakPolarHBondContact O-CD 3.43Å; P164-K173 WeakPolarHBondContact O-CG 3.35Å; P164-K173 PolarHBondContact O-N 3.15Å; P164-K173 VanDerWaalsContact O-N 3.16Å; H165-K173 WeakPolarHBondContact O-CE 3.33Å; H165-K173 PolarHBondContact O-NZ 3.15Å; H165-K173 VanDerWaalsContact O-NZ 3.15Å; Y166-K173 HydrophobicContact CD1-CG 4.32Å; Y166-K173 HydrophobicContact CD2-CG 3.75Å; Y166-K173 HydrophobicContact CE1-CG 4.12Å; Y166-K173 HydrophobicContact CE2-CB 4.26Å; Y166-K173 HydrophobicContact CE2-CG 3.56Å; Y166-K173 HydrophobicContact CG-CG 4.15Å; K173-F175 VanDerWaalsContact C-N 3.25Å; K173-F175 HydrophobicContact CB-CD1 3.58Å; K173-F175 HydrophobicContact CB-CE1 3.44Å; K173-F175 VanDerWaalsContact CB-CE1 3.44Å; K173-F175 HydrophobicContact CB-CG 4.5Å; K173-F175 HydrophobicContact CB-CZ 4.28Å; K173-F175 HydrophobicContact CD-CE1 3.71Å; K173-F175 HydrophobicContact CD-CZ 3.94Å; K173-F175 HydrophobicContact CG-CE1 4.2Å; K173-F175 PolarHBondContact O-N 3.43Å
174G83.5Confident88.5Confident28 Ų2862.1 Ų62.129%0.28933%0.329SS..SBendtrans73.613.3-174.600000114.5L138 L139 P172L138-G174 PolarHBondContact N-O 3.14Å; L139-G174 PolarHBondContact N-O 3.2Å; P172-G174 VanDerWaalsContact C-N 3.26Å; P172-G174 PolarHBondContact O-N 3.39Å
175F88.9Confident88.7Confident23 Ų2363 Ų6310%0.10133%0.331CS..EExtended strand (participates in β ladder)trans-142.5159.5175.772.9-100.5000112.4Y135 V136 P164 K173 F177Y135-F175 HydrophobicContact CD2-CD2 4.15Å; Y135-F175 HydrophobicContact CE2-CB 3.69Å; Y135-F175 HydrophobicContact CE2-CD1 4.46Å; Y135-F175 AromaticContact CE2-CD2 3.48Å; Y135-F175 HydrophobicContact CE2-CD2 3.48Å; Y135-F175 VanDerWaalsContact CE2-CD2 3.48Å; Y135-F175 HydrophobicContact CE2-CE2 4.12Å; Y135-F175 AromaticContact CE2-CG 3.66Å; Y135-F175 HydrophobicContact CE2-CG 3.66Å; V136-F175 CarbonylContact O-C 3.57Å; V136-F175 WeakPolarHBondContact O-CA 3.48Å; V136-F175 VanDerWaalsContact O-CB 3.23Å; V136-F175 WeakPolarHBondContact O-CB 3.45Å; P164-F175 HydrophobicContact CB-CE2 4.15Å; P164-F175 HydrophobicContact CB-CZ 4.26Å; P164-F175 WeakPolarHBondContact CD-O 3.16Å; P164-F175 HydrophobicContact CG-CD2 4.26Å; P164-F175 HydrophobicContact CG-CE2 3.68Å; P164-F175 HydrophobicContact CG-CZ 4.28Å; K173-F175 VanDerWaalsContact C-N 3.25Å; K173-F175 HydrophobicContact CB-CD1 3.58Å; K173-F175 HydrophobicContact CB-CE1 3.44Å; K173-F175 VanDerWaalsContact CB-CE1 3.44Å; K173-F175 HydrophobicContact CB-CG 4.5Å; K173-F175 HydrophobicContact CB-CZ 4.28Å; K173-F175 HydrophobicContact CD-CE1 3.71Å; K173-F175 HydrophobicContact CD-CZ 3.94Å; K173-F175 HydrophobicContact CG-CE1 4.2Å; K173-F175 PolarHBondContact O-N 3.43Å; F175-F177 HydrophobicContact CD2-CE2 4.43Å; F175-F177 AromaticContact CE2-CE2 3.91Å; F175-F177 HydrophobicContact CE2-CE2 3.91Å; F175-F177 HydrophobicContact CE2-CZ 4.19Å
176A91.9Very high89Confident0 Ų059.1 Ų59.10%031%0.314CS..EExtended strand (participates in β ladder)trans-137.9167.7173.900000111.8V136 L139 I148 S162 I163V136-A176 PolarHBondContact N-O 3.3Å; V136-A176 PolarHBondContact O-N 2.88Å; L139-A176 HydrophobicContact CD1-CB 3.49Å; L139-A176 VanDerWaalsContact CD1-CB 3.49Å; I148-A176 HydrophobicContact CD1-CB 3.92Å; S162-A176 CarbonylContact O-C 3.52Å; S162-A176 WeakPolarHBondContact O-CA 3.24Å; S162-A176 VanDerWaalsContact O-CB 3.3Å; S162-A176 WeakPolarHBondContact O-CB 3.34Å; I163-A176 HydrophobicContact CG1-CB 4.34Å
177F93.6Very high89.4Confident24 Ų2458 Ų5811%0.10532%0.318CS..EExtended strand (participates in β ladder)trans-113.5135.3159-59.2-76.6000109.4V134 Y135 S162 P164 F175 K388 W391V134-F177 VanDerWaalsContact O-CA 3.31Å; V134-F177 WeakPolarHBondContact O-CA 3.31Å; Y135-F177 HydrophobicContact CD2-CD1 4.17Å; Y135-F177 AromaticContact CD2-CE1 3.57Å; Y135-F177 HydrophobicContact CD2-CE1 3.57Å; Y135-F177 AromaticContact CD2-CZ 3.99Å; Y135-F177 HydrophobicContact CD2-CZ 3.99Å; Y135-F177 HydrophobicContact CG-CE1 4.26Å; S162-F177 PolarHBondContact N-O 3.41Å; S162-F177 PolarHBondContact O-N 3.41Å; P164-F177 HydrophobicContact CG-CD2 4.38Å; P164-F177 HydrophobicContact CG-CE2 4.33Å; F175-F177 HydrophobicContact CD2-CE2 4.43Å; F175-F177 AromaticContact CE2-CE2 3.91Å; F175-F177 HydrophobicContact CE2-CE2 3.91Å; F175-F177 HydrophobicContact CE2-CZ 4.19Å; F177-K388 HydrophobicContact CD1-CD 4.11Å; F177-K388 VanDerWaalsContact CD1-NZ 3.31Å; F177-K388 HydrophobicContact CE1-CD 3.99Å; F177-K388 VanDerWaalsContact CE1-NZ 3.34Å; F177-W391 AromaticContact CE1-CD2 3.82Å; F177-W391 HydrophobicContact CE1-CD2 3.82Å; F177-W391 AromaticContact CE1-CE3 3.78Å; F177-W391 HydrophobicContact CE1-CE3 3.78Å; F177-W391 HydrophobicContact CE1-CG 4.36Å; F177-W391 HydrophobicContact CE1-CH2 4.35Å; F177-W391 HydrophobicContact CE1-CZ2 4.39Å; F177-W391 HydrophobicContact CE1-CZ3 4.05Å; F177-W391 HydrophobicContact CE2-CH2 4.41Å; F177-W391 AromaticContact CZ-CD2 3.9Å; F177-W391 HydrophobicContact CZ-CD2 3.9Å; F177-W391 AromaticContact CZ-CE2 3.77Å; F177-W391 AromaticContact CZ-CE3 3.84Å; F177-W391 HydrophobicContact CZ-CE3 3.84Å; F177-W391 AromaticContact CZ-CH2 3.55Å; F177-W391 HydrophobicContact CZ-CH2 3.55Å; F177-W391 AromaticContact CZ-CZ2 3.62Å; F177-W391 HydrophobicContact CZ-CZ2 3.62Å; F177-W391 AromaticContact CZ-CZ3 3.66Å; F177-W391 HydrophobicContact CZ-CZ3 3.66Å
178V94.4Very high89.8Confident1 Ų152.3 Ų52.31%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-118.1130.1176.7-173.90000107.8T133 V134 V136 I148 F152 V158 F180T133-V178 CarbonylContact C-O 3.53Å; T133-V178 VanDerWaalsContact CA-O 3.3Å; T133-V178 WeakPolarHBondContact CA-O 3.38Å; V134-V178 PolarHBondContact N-O 2.94Å; V134-V178 PolarHBondContact O-N 3.1Å; V136-V178 HydrophobicContact CG2-CG2 3.93Å; I148-V178 HydrophobicContact CG2-CG2 3.6Å; F152-V178 HydrophobicContact CB-CG1 4.08Å; F152-V178 HydrophobicContact CD1-CB 4.47Å; F152-V178 HydrophobicContact CD1-CG1 4.27Å; F152-V178 HydrophobicContact CD1-CG2 4.27Å; F152-V178 HydrophobicContact CD2-CG2 4.42Å; F152-V178 HydrophobicContact CG-CG1 4.2Å; F152-V178 HydrophobicContact CG-CG2 4.25Å; V158-V178 HydrophobicContact CB-CG1 4.44Å; V158-V178 HydrophobicContact CG1-CG1 3.65Å; V158-V178 HydrophobicContact CG2-CG1 3.94Å; V178-F180 HydrophobicContact CB-CE2 4.42Å; V178-F180 HydrophobicContact CG1-CD2 4.44Å; V178-F180 HydrophobicContact CG1-CE2 3.86Å; V178-F180 HydrophobicContact CG1-CZ 4.02Å
179E94.5Very high90.2Very high11 Ų1148.3 Ų48.35%0.05127%0.265CS..EExtended strand (participates in β ladder)trans-112.6129.4-178.1-170.3167161.100109.7K60 T133 V158 V159 Y160K60-E179 IonicContact NZ-OE1 2.76Å; K60-E179 PolarHBondContact NZ-OE1 2.97Å; K60-E179 IonicContact NZ-OE2 3.28Å; K60-E179 PolarHBondContact NZ-OE2 3.16Å; T133-E179 HydrophobicContact CG2-CB 3.77Å; T133-E179 HydrophobicContact CG2-CG 3.74Å; V158-E179 CarbonylContact C-O 3.16Å; V158-E179 WeakPolarHBondContact CA-O 3.45Å; V159-E179 PolarHBondContact N-O 2.96Å; Y160-E179 WeakPolarHBondContact CB-OE2 3.49Å; Y160-E179 PolarHBondContact N-O 3.41Å; Y160-E179 WeakPolarHBondContact O-CB 3.36Å; Y160-E179 PolarHBondContact O-N 2.88Å
180F95.2Very high90.4Very high0 Ų045.8 Ų45.80%025%0.248CC..EExtended strand (participates in β ladder)trans-107162-179-72.1-82.2000112.2R132 V134 F152 C155 N157 V158 V178 T182 Q185 A186 A189R132-F180 PolarHBondContact O-N 2.75Å; V134-F180 HydrophobicContact CG2-CD2 4.05Å; V134-F180 HydrophobicContact CG2-CE2 3.92Å; F152-F180 HydrophobicContact CB-CZ 3.98Å; F152-F180 HydrophobicContact CD1-CE2 4.43Å; F152-F180 HydrophobicContact CD1-CZ 4.05Å; C155-F180 HydrophobicContact CB-CE1 4.49Å; C155-F180 HydrophobicContact CB-CZ 4.45Å; N157-F180 WeakPolarHBondContact O-CA 3.47Å; V158-F180 HydrophobicContact CG2-CD1 4.2Å; V158-F180 HydrophobicContact CG2-CE1 3.69Å; V158-F180 HydrophobicContact CG2-CZ 4.22Å; V178-F180 HydrophobicContact CB-CE2 4.42Å; V178-F180 HydrophobicContact CG1-CD2 4.44Å; V178-F180 HydrophobicContact CG1-CE2 3.86Å; V178-F180 HydrophobicContact CG1-CZ 4.02Å; F180-T182 VanDerWaalsContact C-N 3.32Å; F180-T182 PolarHBondContact O-N 2.89Å; F180-Q185 HydrophobicContact CB-CB 3.74Å; F180-Q185 HydrophobicContact CD1-CB 3.75Å; F180-Q185 HydrophobicContact CG-CB 3.87Å; F180-A186 HydrophobicContact CD2-CB 4.04Å; F180-A189 HydrophobicContact CE2-CB 3.55Å; F180-A189 HydrophobicContact CZ-CB 3.53Å
181E92.9Very high90.6Very high91 Ų9151 Ų5143%0.42526%0.259SS..SBendtrans-65.8-38.3177.5-165.665.2-117.100111.3R132 N157 V159R132-E181 WeakPolarHBondContact CD-O 3.18Å; R132-E181 PolarHBondContact NH1-O 2.69Å; R132-E181 IonicContact NH1-OE1 3.68Å; N157-E181 HydrophobicContact CB-CB 4.2Å; N157-E181 PolarHBondContact ND2-OE2 3.29Å; N157-E181 PolarHBondContact O-N 2.85Å; N157-E181 VanDerWaalsContact O-N 3.15Å; V159-E181 HydrophobicContact CG2-CB 4.01Å; V159-E181 WeakPolarHBondContact CG2-OE2 3.06Å
182T94Very high90.6Very high53 Ų5352.6 Ų52.633%0.32526%0.262SS..SBendtrans-128.9154.4-179.774.70000112.2F180 E184 Q185 A186F180-T182 VanDerWaalsContact C-N 3.32Å; F180-T182 PolarHBondContact O-N 2.89Å; T182-E184 PolarHBondContact O-N 3.41Å; T182-Q185 WeakPolarHBondContact O-CB 3.3Å; T182-Q185 PolarHBondContact O-N 2.86Å; T182-Q185 VanDerWaalsContact O-N 3.14Å; T182-Q185 WeakPolarHBondContact OG1-CG 3.41Å; T182-Q185 PolarHBondContact OG1-N 3.18Å; T182-A186 PolarHBondContact O-N 2.83Å
183K93.7Very high90.5Very high128 Ų12851.2 Ų51.256%0.55725%0.253SS*.Hα-helixtrans-64.9-26.9177.863179.2179.3178.50113.5E131 R132 Q185 A186 A187E131-K183 WeakPolarHBondContact OE2-CD 2.96Å; E131-K183 IonicContact OE2-NZ 2.8Å; R132-K183 HydrophobicContact CG-CB 4.3Å; K183-Q185 VanDerWaalsContact C-N 3.35Å; K183-A186 WeakPolarHBondContact O-CB 3.45Å; K183-A186 PolarHBondContact O-N 2.52Å; K183-A187 PolarHBondContact O-N 3.48Å
184E94.1Very high90.4Very high119 Ų11950.6 Ų50.656%0.55625%0.253SS*.Hα-helixtrans-65.7-36.7172.9-65.5173.5-144.100112.7T182 A186 A187 K188T182-E184 PolarHBondContact O-N 3.41Å; E184-A186 VanDerWaalsContact C-N 3.32Å; E184-A187 PolarHBondContact O-N 2.8Å; E184-K188 WeakPolarHBondContact O-CB 3.5Å; E184-K188 WeakPolarHBondContact O-CD 3.12Å; E184-K188 VanDerWaalsContact O-CG 3.22Å; E184-K188 WeakPolarHBondContact O-CG 3.27Å; E184-K188 PolarHBondContact O-N 2.69Å; E184-K188 IonicContact OE2-NZ 3.12Å; E184-K188 PolarHBondContact OE2-NZ 3.17Å
185Q94.4Very high90Very high46 Ų4652.9 Ų52.922%0.21526%0.258CS..Hα-helixtrans-68.7-35.6175.9-71.7173.95.200110.9F180 T182 K183 A189F180-Q185 HydrophobicContact CB-CB 3.74Å; F180-Q185 HydrophobicContact CD1-CB 3.75Å; F180-Q185 HydrophobicContact CG-CB 3.87Å; T182-Q185 WeakPolarHBondContact O-CB 3.3Å; T182-Q185 PolarHBondContact O-N 2.86Å; T182-Q185 VanDerWaalsContact O-N 3.14Å; T182-Q185 WeakPolarHBondContact OG1-CG 3.41Å; T182-Q185 PolarHBondContact OG1-N 3.18Å; K183-Q185 VanDerWaalsContact C-N 3.35Å; Q185-A189 WeakPolarHBondContact O-CB 3.21Å; Q185-A189 PolarHBondContact O-N 3.4Å
186A93.2Very high88.9Confident3 Ų354.6 Ų54.63%0.02527%0.272CS..Hα-helixtrans-63.4-45.8170.800000112V134 F180 T182 K183 E184 A189 I190V134-A186 HydrophobicContact CG2-CB 3.61Å; F180-A186 HydrophobicContact CD2-CB 4.04Å; T182-A186 PolarHBondContact O-N 2.83Å; K183-A186 WeakPolarHBondContact O-CB 3.45Å; K183-A186 PolarHBondContact O-N 2.52Å; E184-A186 VanDerWaalsContact C-N 3.32Å; A186-A189 PolarHBondContact O-N 2.83Å; A186-I190 WeakPolarHBondContact O-CG1 3.41Å; A186-I190 PolarHBondContact O-N 2.88Å; A186-I190 VanDerWaalsContact O-N 3.08Å
187A92.1Very high87.4Confident41 Ų4156.7 Ų56.734%0.33929%0.285SS..Hα-helixtrans-60.4-49.817500000112.2K183 E184 A189 I190 E191K183-A187 PolarHBondContact O-N 3.48Å; E184-A187 PolarHBondContact O-N 2.8Å; A187-A189 PolarHBondContact O-N 2.79Å; A187-I190 WeakPolarHBondContact O-CA 3.37Å; A187-I190 WeakPolarHBondContact O-CB 3.46Å; A187-I190 PolarHBondContact O-N 2.87Å; A187-E191 PolarHBondContact O-N 2.86Å
188K91.6Very high85.6Confident101 Ų10165 Ų6544%0.43932%0.324SS..Hα-helixtrans-58.4-33.1176.2-72.8160.6-176.7159.80112.5E184 F192E184-K188 WeakPolarHBondContact O-CB 3.5Å; E184-K188 WeakPolarHBondContact O-CD 3.12Å; E184-K188 VanDerWaalsContact O-CG 3.22Å; E184-K188 WeakPolarHBondContact O-CG 3.27Å; E184-K188 PolarHBondContact O-N 2.69Å; E184-K188 IonicContact OE2-NZ 3.12Å; E184-K188 PolarHBondContact OE2-NZ 3.17Å; K188-F192 WeakPolarHBondContact O-CB 3.43Å; K188-F192 PolarHBondContact O-N 2.79Å
189A89.9Confident83.5Confident0 Ų074.1 Ų74.10%037%0.367CS..Hα-helixtrans-72.1-34173.900000113.1F152 C155 F180 Q185 A186 A187 L193F152-A189 HydrophobicContact CD1-CB 4.24Å; C155-A189 HydrophobicContact CB-CB 3.84Å; F180-A189 HydrophobicContact CE2-CB 3.55Å; F180-A189 HydrophobicContact CZ-CB 3.53Å; Q185-A189 WeakPolarHBondContact O-CB 3.21Å; Q185-A189 PolarHBondContact O-N 3.4Å; A186-A189 PolarHBondContact O-N 2.83Å; A187-A189 PolarHBondContact O-N 2.79Å; A189-L193 VanDerWaalsContact O-CB 3.3Å; A189-L193 WeakPolarHBondContact O-CB 3.18Å; A189-L193 PolarHBondContact O-N 3.25Å; A189-L193 VanDerWaalsContact O-N 3.15Å
190I88.3Confident81.6Confident37 Ų3774.1 Ų74.119%0.1937%0.369CS..Hα-helixtrans-67.9-49.8173.2-65.1160000109.7V134 A186 A187 F192 N194 V385V134-I190 HydrophobicContact CG1-CG1 3.99Å; V134-I190 HydrophobicContact CG2-CD1 4.42Å; V134-I190 HydrophobicContact CG2-CG1 4.3Å; A186-I190 WeakPolarHBondContact O-CG1 3.41Å; A186-I190 PolarHBondContact O-N 2.88Å; A186-I190 VanDerWaalsContact O-N 3.08Å; A187-I190 WeakPolarHBondContact O-CA 3.37Å; A187-I190 WeakPolarHBondContact O-CB 3.46Å; A187-I190 PolarHBondContact O-N 2.87Å; I190-F192 PolarHBondContact O-N 2.57Å; I190-N194 WeakPolarHBondContact O-CB 3.3Å; I190-N194 PolarHBondContact O-N 2.88Å; I190-N194 VanDerWaalsContact O-N 3.13Å; I190-V385 HydrophobicContact CG1-CG1 4.14Å
191E86.6Confident79.6Confident155 Ų15577 Ų7772%0.72439%0.388SS*.Hα-helixtrans-60.4-46.3179.1-69.2169.4176.400112.8A187A187-E191 PolarHBondContact O-N 2.86Å
192F83.1Confident77.5Confident121 Ų12184.5 Ų84.553%0.53141%0.412SS..Hα-helixtrans-83.5-26.8-172.3-171.1-103.9000114.4K154 K188 I190K154-F192 HydrophobicContact CD-CE1 4.16Å; K188-F192 WeakPolarHBondContact O-CB 3.43Å; K188-F192 PolarHBondContact O-N 2.79Å; I190-F192 PolarHBondContact O-N 2.57Å
193L82.3Confident75.6Confident20 Ų2089 Ų8911%0.10543%0.427CS..Hα-helixtrans-114.8-7.1-172-58.6172.6000114.6V151 F152 A189 N195 V385V151-L193 HydrophobicContact CG1-CD1 4.03Å; V151-L193 HydrophobicContact CG1-CD2 4.05Å; F152-L193 HydrophobicContact CD1-CD1 3.51Å; F152-L193 HydrophobicContact CD2-CD1 4.27Å; F152-L193 HydrophobicContact CE1-CD1 3.42Å; F152-L193 VanDerWaalsContact CE1-CD1 3.42Å; F152-L193 HydrophobicContact CE2-CD1 4.19Å; F152-L193 HydrophobicContact CG-CD1 3.94Å; F152-L193 HydrophobicContact CZ-CD1 3.76Å; A189-L193 VanDerWaalsContact O-CB 3.3Å; A189-L193 WeakPolarHBondContact O-CB 3.18Å; A189-L193 PolarHBondContact O-N 3.25Å; A189-L193 VanDerWaalsContact O-N 3.15Å; L193-N195 PolarHBondContact O-N 3.46Å; L193-V385 HydrophobicContact CB-CG2 3.92Å; L193-V385 WeakPolarHBondContact O-CG2 3.38Å
194N80.7Confident73.5Confident60 Ų6085 Ų8532%0.32141%0.414SS..  trans-77.183.5174.8-17136.9000111.3I190 P196 V385I190-N194 WeakPolarHBondContact O-CB 3.3Å; I190-N194 PolarHBondContact O-N 2.88Å; I190-N194 VanDerWaalsContact O-N 3.13Å; N194-P196 WeakPolarHBondContact O-CD 3.48Å; N194-P196 WeakPolarHBondContact OD1-CG 3.39Å; N194-V385 HydrophobicContact CB-CB 3.96Å; N194-V385 VanDerWaalsContact CG-O 3.22Å; N194-V385 PolarHBondContact OD1-N 3.43Å; N194-V385 PolarHBondContact OD1-O 2.88Å
195N73.8Confident71.6Confident77 Ų7779.7 Ų79.741%0.41239%0.391SS..  trans-120.674.4173.8-67.5-83000109.9L193 V380 P382 L383L193-N195 PolarHBondContact O-N 3.46Å; N195-V380 HydrophobicContact CB-CG1 3.84Å; N195-P382 CarbonylContact O-C 3.08Å; N195-P382 WeakPolarHBondContact O-CA 3.47Å; N195-P382 VanDerWaalsContact O-CB 3.27Å; N195-P382 WeakPolarHBondContact O-CB 3.22Å; N195-L383 CarbonylContact C-O 3.44Å; N195-L383 PolarHBondContact N-O 3.27Å; N195-L383 PolarHBondContact O-N 2.7Å
196P65.9Low69.7Low58 Ų5881.7 Ų81.738%0.37740%0.403SS..  trans-66.4140.7178.8-1630.9000110.9N194 R384N194-P196 WeakPolarHBondContact O-CD 3.48Å; N194-P196 WeakPolarHBondContact OD1-CG 3.39Å; P196-R384 HydrophobicContact CB-CB 4.39Å; P196-R384 HydrophobicContact CG-CB 4.22Å; P196-R384 HydrophobicContact CG-CG 4.32Å
197P60.9Low67.9Low44 Ų4482.8 Ų82.829%0.28641%0.407SS..  trans-73151.8175.528.8-27.7000110.3L138 E199 A200 P382L138-P197 HydrophobicContact CD1-CG 3.85Å; P197-E199 PolarHBondContact O-N 2.77Å; P197-A200 HydrophobicContact CG-CB 3.95Å; P197-A200 WeakPolarHBondContact O-CB 3.48Å; P197-A200 PolarHBondContact O-N 3.36Å; P197-P382 HydrophobicContact CB-CB 3.76Å; P197-P382 HydrophobicContact CB-CG 3.81Å; P197-P382 HydrophobicContact CG-CB 3.89Å; P197-P382 HydrophobicContact CG-CG 3.83Å
198E55.6Low66Low199 Ų19983.2 Ų83.293%0.9341%0.406SS*.THydrogen-bonded Turntrans-62.9-30.4-178.1-167.2173.6-17900112.9A200E198-A200 PolarHBondContact O-N 2.82Å
199E50.6Low64.3Low193 Ų19382.8 Ų82.890%0.90241%0.405SS*.THydrogen-bonded Turntrans-74-8172.3-60.7-168.9141.800114.1P197P197-E199 PolarHBondContact O-N 2.77Å
200A54.1Low62.5Low11 Ų1184.4 Ų84.49%0.09141%0.414CS..SBendtrans-60.7145.517800000110.5L138 P197 E198 R202L138-A200 HydrophobicContact CD1-CB 4.23Å; P197-A200 HydrophobicContact CG-CB 3.95Å; P197-A200 WeakPolarHBondContact O-CB 3.48Å; P197-A200 PolarHBondContact O-N 3.36Å; E198-A200 PolarHBondContact O-N 2.82Å; A200-R202 PolarHBondContact O-N 2.71Å; A200-R202 VanDerWaalsContact O-N 3.08Å
201P54.1Low60.7Low61 Ų6186.7 Ų86.740%0.39643%0.43SS..  trans-55.4124.8175.6-23.132.1000110.4K203 I206 R384P201-K203 CarbonylContact O-C 3.51Å; P201-K203 PolarHBondContact O-N 2.81Å; P201-I206 HydrophobicContact CB-CD1 3.32Å; P201-I206 HydrophobicContact CB-CG1 4.05Å; P201-I206 HydrophobicContact CG-CD1 3.94Å; P201-R384 PolarHBondContact O-NH2 3.16Å
202R48.8Very low59.3Low248 Ų24886.6 Ų86.694%0.93643%0.427SS*.SBendtrans-59.3-3.5-172-67.7-178.2177.9158.4-0.8115.5A200A200-R202 PolarHBondContact O-N 2.71Å; A200-R202 VanDerWaalsContact O-N 3.08Å
203K53.3Low57.9Low146 Ų14685.8 Ų85.864%0.63543%0.428SS*.SBendtrans-120.1127.2167.2-69.2-158.1168.6-154.10109.8P201P201-K203 CarbonylContact O-C 3.51Å; P201-K203 PolarHBondContact O-N 2.81Å
204P50.3Low56.7Low45 Ų4589.3 Ų89.329%0.29244%0.443SS..SBendtrans-51.2153.2165.8-30.738.9000113.6L386 L394P204-L386 HydrophobicContact CB-CD1 3.91Å; P204-L386 HydrophobicContact CG-CD1 4.49Å; P204-L394 HydrophobicContact CB-CD1 3.58Å; P204-L394 HydrophobicContact CB-CD2 4.08Å; P204-L394 HydrophobicContact CB-CG 4.49Å
205G53.3Low55.6Low7 Ų790.5 Ų90.57%0.07245%0.454CS..  trans69.648.7169.600000114.5F207G205-F207 WeakPolarHBondContact O-CD2 3.15Å; G205-F207 WeakPolarHBondContact O-CE2 3.44Å; G205-F207 PolarHBondContact O-N 3.29Å
206I55.7Low54.9Low89 Ų8989.3 Ų89.346%0.45645%0.447SS..  trans-7580.6164.4-57.8-160.2000109P201P201-I206 HydrophobicContact CB-CD1 3.32Å; P201-I206 HydrophobicContact CB-CG1 4.05Å; P201-I206 HydrophobicContact CG-CD1 3.94Å
207F55.2Low54.5Low25 Ų2587.9 Ų87.911%0.1144%0.437CS..  trans-60.8140.6177.3-63.1-83000111G205 K209 W391 K395 Y398G205-F207 WeakPolarHBondContact O-CD2 3.15Å; G205-F207 WeakPolarHBondContact O-CE2 3.44Å; G205-F207 PolarHBondContact O-N 3.29Å; F207-K209 PolarHBondContact O-N 3.37Å; F207-W391 AromaticContact CE1-CE2 3.84Å; F207-W391 AromaticContact CE1-CZ2 3.91Å; F207-W391 HydrophobicContact CE1-CZ2 3.91Å; F207-W391 AromaticContact CE1-NE1 3.44Å; F207-W391 HydrophobicContact CZ-CZ2 4.47Å; F207-W391 AromaticContact CZ-NE1 3.55Å; F207-K395 HydrophobicContact CE1-CB 4.32Å; F207-K395 HydrophobicContact CE2-CB 4.01Å; F207-K395 HydrophobicContact CZ-CB 3.6Å; F207-K395 HydrophobicContact CZ-CG 4.26Å; F207-Y398 HydrophobicContact CB-CD1 3.95Å; F207-Y398 HydrophobicContact CB-CD2 4.26Å; F207-Y398 HydrophobicContact CB-CE1 3.69Å; F207-Y398 HydrophobicContact CB-CE2 4.01Å; F207-Y398 HydrophobicContact CB-CG 4.24Å; F207-Y398 AromaticContact CD2-CD1 3.7Å; F207-Y398 HydrophobicContact CD2-CD1 3.7Å; F207-Y398 AromaticContact CD2-CD2 3.88Å; F207-Y398 HydrophobicContact CD2-CD2 3.88Å; F207-Y398 HydrophobicContact CD2-CE1 4.33Å; F207-Y398 HydrophobicContact CD2-CE2 4.48Å; F207-Y398 AromaticContact CD2-CG 3.45Å; F207-Y398 HydrophobicContact CD2-CG 3.45Å; F207-Y398 VanDerWaalsContact CD2-CG 3.45Å; F207-Y398 HydrophobicContact CE2-CG 4.26Å; F207-Y398 HydrophobicContact CG-CD1 4.06Å; F207-Y398 HydrophobicContact CG-CE1 4.3Å; F207-Y398 HydrophobicContact CG-CG 4.21Å; F207-Y398 PolarHBondContact O-OH 2.92Å
208P51.7Low54.2Low51 Ų5189.9 Ų89.933%0.33146%0.458SS..  trans-52.2122.7-174.8-30.735.3000114.2Y166 T210Y166-P208 WeakPolarHBondContact OH-CB 3.44Å; Y166-P208 WeakPolarHBondContact OH-CG 3.36Å; P208-T210 VanDerWaalsContact C-N 3.32Å; P208-T210 PolarHBondContact O-N 2.89Å
209K55.7Low54.3Low92 Ų9281.6 Ų81.640%0.442%0.42SS..  trans-81.575.6-174.6-64.3178.7-174.8170.70110.3F207 N213 K214F207-K209 PolarHBondContact O-N 3.37Å; K209-N213 PolarHBondContact N-OD1 3.09Å; K209-N213 CarbonylContact O-C 3.48Å; K209-N213 WeakPolarHBondContact O-CA 3.41Å; K209-N213 PolarHBondContact O-N 2.83Å; K209-K214 PolarHBondContact O-N 2.93Å
210T53.3Low54.3Low34 Ų3483.7 Ų83.721%0.20942%0.42CS..SBendtrans68.4173.4-16980.20000113.7P208 K212 N213 T561 E562 I565P208-T210 VanDerWaalsContact C-N 3.32Å; P208-T210 PolarHBondContact O-N 2.89Å; T210-K212 PolarHBondContact O-N 2.84Å; T210-K212 VanDerWaalsContact O-N 3.13Å; T210-N213 PolarHBondContact O-N 3.28Å; T210-T561 HydrophobicContact CG2-CG2 4.29Å; T210-E562 HydrophobicContact CG2-CG 4.32Å; T210-I565 HydrophobicContact CG2-CD1 4.26Å
211V49.8Very low54Low85 Ų8585.8 Ų85.852%0.51543%0.431SS..THydrogen-bonded Turntrans-61.5-21.2-178.3-171.60000112.5
212K56.6Low53.4Low153 Ų15388.7 Ų88.767%0.66545%0.447SS*.THydrogen-bonded Turntrans-114.720.5-178.6-53.7-168.5-177.9-172.50113T210 K214T210-K212 PolarHBondContact O-N 2.84Å; T210-K212 VanDerWaalsContact O-N 3.13Å; K212-K214 PolarHBondContact O-N 2.76Å
213N55Low53Low104 Ų10484.6 Ų84.656%0.55644%0.439SS*.  trans51.113.1179.8-77.3-31.5000117.1K209 T210K209-N213 PolarHBondContact N-OD1 3.09Å; K209-N213 CarbonylContact O-C 3.48Å; K209-N213 WeakPolarHBondContact O-CA 3.41Å; K209-N213 PolarHBondContact O-N 2.83Å; T210-N213 PolarHBondContact O-N 3.28Å
214K57.3Low52.1Low93 Ų9385.9 Ų85.940%0.40445%0.447SS..PPolyproline II helixtrans-59.9124.9179.1-78-165.4166.9-162.90111.5K209 K212 E569K209-K214 PolarHBondContact O-N 2.93Å; K212-K214 PolarHBondContact O-N 2.76Å; K214-E569 IonicContact NZ-OE1 2.69Å; K214-E569 PolarHBondContact NZ-OE1 3.15Å; K214-E569 IonicContact NZ-OE2 2.69Å; K214-E569 PolarHBondContact NZ-OE2 2.86Å
215P57.4Low51.3Low85 Ų8592.3 Ų92.355%0.55247%0.471SS*.PPolyproline II helixtrans-64.9153168.429.7-34.4000110.6P217P215-P217 VanDerWaalsContact O-CD 3.31Å; P215-P217 WeakPolarHBondContact O-CD 3.2Å
216I58Low50.4Low52 Ų52101.7 Ų101.727%0.26751%0.509SS..PPolyproline II helixtrans-67.8120.7173.6-60.3167000107.7A218 S405 M406 L409I216-A218 PolarHBondContact O-N 2.97Å; I216-S405 WeakPolarHBondContact CD1-OG 3.28Å; I216-M406 HydrophobicContact CB-CE 4.46Å; I216-M406 HydrophobicContact CD1-CE 3.81Å; I216-M406 HydrophobicContact CG1-CE 3.94Å; I216-M406 HydrophobicContact CG2-CE 3.66Å; I216-L409 HydrophobicContact CG2-CD2 4Å
217P57.2Low49.2Very low28 Ų28107.1 Ų107.118%0.18253%0.53CS..PPolyproline II helixtrans-66.4124.5179.4-20.433.2000111P215 L219 I565 E569P215-P217 VanDerWaalsContact O-CD 3.31Å; P215-P217 WeakPolarHBondContact O-CD 3.2Å; P217-L219 PolarHBondContact O-N 2.99Å; P217-I565 HydrophobicContact CG-CG2 4.11Å; P217-E569 HydrophobicContact CG-CG 4.27Å
218A56.3Low48.1Very low87 Ų87116 Ų11672%0.71957%0.568SS**  trans-79.1105.217200000109.8I216 R220I216-A218 PolarHBondContact O-N 2.97Å; A218-R220 PolarHBondContact O-N 2.81Å; A218-R220 VanDerWaalsContact O-N 3.13Å
219L55.7Low47.1Very low25 Ų25123.3 Ų123.313%0.13160%0.595CS.*  trans-75.194.4166.7-65.2179.5000108.5P217 V221 L409 I413 I416 A568 R572P217-L219 PolarHBondContact O-N 2.99Å; L219-V221 PolarHBondContact O-N 2.87Å; L219-L409 HydrophobicContact CD1-CD1 4.02Å; L219-L409 HydrophobicContact CG-CD1 4.13Å; L219-I413 HydrophobicContact CD1-CG1 4.01Å; L219-I416 HydrophobicContact CD1-CD1 4.14Å; L219-A568 HydrophobicContact CD1-CB 4.01Å; L219-A568 HydrophobicContact CG-CB 4.28Å; L219-R572 HydrophobicContact CD2-CB 4.09Å
220R50.6Low45.8Very low237 Ų237129.1 Ų129.189%0.89462%0.62SS**  trans-71.7109.2170.3-69.7-175.9178.9174.4-0.8109A218A218-R220 PolarHBondContact O-N 2.81Å; A218-R220 VanDerWaalsContact O-N 3.13Å
221V48.2Very low44.7Very low55 Ų55137 Ų13733%0.33365%0.651SS.*  trans-74.6138.9157.9-178.20000107.2L219 E223 T412L219-V221 PolarHBondContact O-N 2.87Å; V221-E223 PolarHBondContact O-N 2.97Å; V221-T412 HydrophobicContact CG2-CG2 4.15Å
222V41.7Very low43.6Very low121 Ų121142.8 Ų142.873%0.73367%0.669SS**  trans-89.4101.6177.3179.60000108.1E224V222-E224 HydrophobicContact CG1-CG 4.47Å; V222-E224 PolarHBondContact O-N 2.95Å
223E40.6Very low42.1Very low163 Ų163139.3 Ų139.376%0.76268%0.677SS**  trans-77.5100.4171.8-70.9-174.517000110.2V221 K225V221-E223 PolarHBondContact O-N 2.97Å; E223-K225 PolarHBondContact O-N 2.84Å
224E35.1Very low40.8Very low172 Ų172146.1 Ų146.180%0.80470%0.695SS**  trans-70.598.4175.6-70.3-148138.800112.5V222 K226V222-E224 HydrophobicContact CG1-CG 4.47Å; V222-E224 PolarHBondContact O-N 2.95Å; E224-K226 PolarHBondContact O-N 3.33Å; E224-K226 VanDerWaalsContact O-N 3.09Å
225K33.8Very low39.4Very low181 Ų181150.8 Ų150.879%0.78772%0.721SS**  trans-74.997.5172.1-69.7-171.4176.9-177.40111.4E223 K227E223-K225 PolarHBondContact O-N 2.84Å; K225-K227 PolarHBondContact O-N 3.32Å
226K32.9Very low38Very low203 Ų203154.6 Ų154.688%0.88373%0.729SS**  trans-53104.8173.6-73.4-176.1176177.80112.2E224 K228E224-K226 PolarHBondContact O-N 3.33Å; E224-K226 VanDerWaalsContact O-N 3.09Å; K226-K228 PolarHBondContact O-N 3.14Å
227K31Very low36.5Very low204 Ų204160.7 Ų160.789%0.88775%0.753SS**  trans-73111171.1-72.3-177.8177.3177.50110.8K225K225-K227 PolarHBondContact O-N 3.32Å
228K31.8Very low35.1Very low210 Ų210164.3 Ų164.391%0.91377%0.768SS**  trans-75.6122.9163.6-84.3-173.1173.7-179.90110K226K226-K228 PolarHBondContact O-N 3.14Å
229K30.3Very low33.6Very low205 Ų205167.4 Ų167.489%0.89177%0.772SS**  trans-78.6140.9171.6-68.2174.7178.4171.20110.5
230K29.4Very low32.1Very low214 Ų214172.7 Ų172.793%0.9380%0.801SS**  trans-135.3123.1149-91.3-166.4172.5-173.40109.9
231K30.7Very low31Very low200 Ų200166.2 Ų166.287%0.8779%0.787SS**  trans-75.2167.6151.1-70.7178.8173.3174.70107.1
232K26.1Very low30.1Very low206 Ų206172.4 Ų172.490%0.89681%0.812SS**  cis-154.81506.3-146.5-179.4179.6-172.30106.6
233G25Very low29.4Very low80 Ų80170.5 Ų170.583%0.82581%0.81SS**  trans-179.6128.5171.600000110.7
234R27.9Very low28.8Very low247 Ų247171.3 Ų171.393%0.93281%0.81SS**  trans-143.3121.1-174163.3-174.4161.1-177.7-5.8109
235M27.3Very low28.3Very low192 Ų192170.9 Ų170.995%0.94681%0.809SS**  trans-159.8170146.9-109175.487.100110
236K28.4Very low28Very low165 Ų165171.2 Ų171.272%0.71781%0.813SS**  trans-144.4125.5-162170.7-172.8-175.1-84.10110.2E238K236-E238 IonicContact NZ-OE1 3.56Å; K236-E238 PolarHBondContact NZ-OE1 3.5Å
237K27.4Very low27.6Very low180 Ų180169.1 Ų169.178%0.78381%0.811SS**  trans-169.3130.3151-86.7-144.1164-174.20106.3
238E26Very low27.6Very low104 Ų104167.1 Ų167.149%0.48681%0.807SS.*  84.110556-71.7157.4-159.700112.2K236K236-E238 IonicContact NZ-OE1 3.56Å; K236-E238 PolarHBondContact NZ-OE1 3.5Å
239D25.3Very low27.2Very low151 Ų151163 Ų16381%0.80780%0.795SS**  trans62164.4153.2-42.2-31.9000118.1
240N24.8Very low26.9Very low137 Ų137158.8 Ų158.873%0.73379%0.787SS**  cis-150.8137.45.1-153.618.1000112.7
241V27.9Very low26.7Very low101 Ų101153.4 Ų153.461%0.61278%0.776SS**  trans37.3139134.7169.30000123.7
242Q27.8Very low26.3Very low184 Ų184150.5 Ų150.586%0.8677%0.77SS**  trans67.9157.9157.9-79.2156.4-0.400119.6
243A26.8Very low26.2Very low82 Ų82146.2 Ų146.268%0.67876%0.761SS**  cis-172.7176.8-29.500000110.5
244K28.6Very low26.4Very low179 Ų179148.2 Ų148.278%0.77876%0.763SS**  trans74137.2176.1-61.4-162.8167.9-165.70114.4
245E25.2Very low26.4Very low164 Ų164143.9 Ų143.977%0.76676%0.756SS**  67.8133.550.3-55.5170.2146.200110.5
246E27.6Very low26.3Very low188 Ų188140.3 Ų140.388%0.87975%0.75SS**  cis-136.7-167.326.4-65.7175140.400113.9
247N25Very low26.2Very low158 Ų158141.5 Ų141.585%0.84576%0.755SS**  trans-66.3168167.3-58.7-64.4000110.5
248M29.3Very low26.3Very low162 Ų162140.7 Ų140.780%0.79876%0.756SS**  -169.1150.752.6-137.2-179.987.800113.9
249D23.4Very low26.3Very low125 Ų125144.6 Ų144.667%0.66877%0.771SS**  trans32.9141.2144.9-80.8-49000126.7
250T24.6Very low26.5Very low116 Ų116148.6 Ų148.671%0.71278%0.775SS**  trans71.295.3142.154.90000122.8
251S24.5Very low26.6Very low100 Ų100147.6 Ų147.670%0.69978%0.779SS**  87.9150.9115.981.70000122.3
252N23.2Very low26.6Very low139 Ų139154 Ų15474%0.74379%0.792SS**  trans74.1103.8150.9-68.8-11.1000122.2
253T24.7Very low27.6Very low117 Ų117150.7 Ų150.772%0.71879%0.786SS**  86.1114.3123.7-540000119.3
254S27.7Very low27.5Very low122 Ų122153.1 Ų153.185%0.85379%0.793SS**  trans-150.7124.3150.4-76.50000109.2
255I28.3Very low27.6Very low156 Ų156148.6 Ų148.680%0.878%0.784SS**  trans-128.6122.3179.2-62.1176.7000109.8
256S25.4Very low27.6Very low116 Ų116149.6 Ų149.681%0.81179%0.789SS**  trans-137.88617441.40000112.5
257K27.6Very low27.4Very low191 Ų191144 Ų14483%0.8378%0.782SS**  trans15.4128.5143.7-60.3160.2-175.1168.70116.2
258M27.8Very low27.5Very low163 Ų163141.4 Ų141.480%0.80378%0.776SS**  -156.8179.868-82.2-159.5-174.100111.5
259K26.7Very low27.3Very low185 Ų185140.5 Ų140.580%0.80477%0.774SS**  cis-138-106.411-148.1155.3-166.4173.80114.7
260R30.1Very low27.6Very low236 Ų236142.1 Ų142.189%0.89178%0.781SS**  trans-157.9165.3-164.7-88.3-178170170.1-5.8109.9
261S25.6Very low27.6Very low115 Ų115144.5 Ų144.580%0.80478%0.784SS**  cis-143.5164.126.1-44.80000115.4
262R27.7Very low27.6Very low236 Ų236144 Ų14489%0.89178%0.781SS**  trans-100.3-157.8168.5-54.7175.3166.8174.2-7.6109.8
263P48.8Very low27.7Very low114 Ų114144 Ų14474%0.7479%0.786SS**  cis-126.8-163.8-11.826.60.9000112.2
264T26.4Very low27.6Very low133 Ų133146.2 Ų146.282%0.81679%0.789SS**  cis-157.8172.632.837.60000110.7
265S29.6Very low28Very low85 Ų85145.3 Ų145.359%0.59478%0.78SS**  cis-169.4157.5-28.4-164.10000110.4
266E25.2Very low27.8Very low184 Ų184144.2 Ų144.286%0.8677%0.771SS**  trans50.7164169.7-72.3115.8165.800119.5
267G24Very low27.8Very low72 Ų72145.7 Ų145.774%0.74276%0.763SS**  cis146.3141.5-8.200000111.8
268S27.8Very low27.8Very low103 Ų103144.7 Ų144.772%0.7276%0.761SS**  cis-164174.6-14.361.80000111.9
269D24.9Very low27.6Very low142 Ų142142.3 Ų142.376%0.75976%0.761SS**  trans71.9150.7155.6-61.6-58.8000125.2
270I29.5Very low27.5Very low159 Ų159137.8 Ų137.882%0.81575%0.752SS**  trans89.5123.1148.8-86.2166.8000123.9
271E24.2Very low27.2Very low166 Ų166134.7 Ų134.778%0.77675%0.745SS**  trans8.1145.2154.3-95.3-175.295.600127.1
272S24.5Very low27.1Very low89 Ų89137.1 Ų137.162%0.62274%0.741SS**  92.6136.3129.8-78.10000124.3
273T24.5Very low26.9Very low141 Ų141134.7 Ų134.787%0.86574%0.737SS**  trans77.5128.6153.922.50000123.6
274E23Very low25.8Very low163 Ų163138 Ų13876%0.76274%0.74SS**  trans-61.4169148.7-112.5-156.4106.400111.4
275P35.9Very low25.7Very low103 Ų103139 Ų13967%0.66973%0.733SS**  cis-152.4175.734.843.5-22.1000119.6
276Q24.8Very low25.6Very low132 Ų132146.8 Ų146.862%0.61775%0.749SS**  trans49.3124.6138.1-72.3-173.751.600126.3
277K24.3Very low25.6Very low147 Ų147143.3 Ų143.364%0.63974%0.737SS**  77.6116.2122.1-72.6-175.1-173.81490125.3
278Q27.5Very low25.8Very low170 Ų170149 Ų14979%0.79474%0.736SS**  76.5162.6118.1-67.3-177.8-9.200123.3
279S23.6Very low25.8Very low114 Ų114150.8 Ų150.880%0.79774%0.742SS**  trans99.7150.5160.388.40000117.3
280S24.6Very low25.8Very low89 Ų89150.3 Ų150.362%0.62274%0.735SS**  cis-168.5164.9-2859.60000115.7
281K23.9Very low25.7Very low171 Ų171146.9 Ų146.974%0.74373%0.73SS**  trans62.7120.6140-74.5159.6-170.2164.50123.5
282K23.5Very low25.8Very low167 Ų167144.1 Ų144.173%0.72673%0.73SS**  85.9128.7121-75.4178.4175.8175.90124.2
283K24.8Very low25.8Very low184 Ų184145.8 Ų145.880%0.874%0.741SS**  trans70.3168.2139.7-67.6-174.2176.1-169.30116.8
284K24.4Very low26Very low183 Ų183146.9 Ų146.980%0.79674%0.741SS**  cis-153.5129.112-141.2178.7176.8-172.50108.3
285K25.8Very low26.5Very low154 Ų154144.7 Ų144.767%0.6774%0.741SS**  47.4131.498-162.8179.3-170.9-84.60118.5D287K285-D287 WeakPolarHBondContact CE-OD1 3.31Å; K285-D287 IonicContact NZ-OD1 3.15Å; K285-D287 PolarHBondContact NZ-OD1 3.25Å; K285-D287 IonicContact NZ-OD2 4Å; K285-D287 PolarHBondContact NZ-OD2 3.46Å
286R26.1Very low26.1Very low249 Ų249146.6 Ų146.694%0.9474%0.741SS**  trans-150.2168.8151.8-105.9-179.1179.1173.30.3110.7
287D25.9Very low26.3Very low112 Ų112145.1 Ų145.160%0.59974%0.741SS**  trans-140.2149.1-155.9-63.3-97.4000115.9K285K285-D287 WeakPolarHBondContact CE-OD1 3.31Å; K285-D287 IonicContact NZ-OD1 3.15Å; K285-D287 PolarHBondContact NZ-OD1 3.25Å; K285-D287 IonicContact NZ-OD2 4Å; K285-D287 PolarHBondContact NZ-OD2 3.46Å
288R28.4Very low26.5Very low191 Ų191147.9 Ų147.972%0.72175%0.747SS**  trans16.5138.4132.3178.2-176.6175.6170.3-0122.6E290R288-E290 IonicContact CZ-OE1 3.88Å; R288-E290 IonicContact CZ-OE2 2.86Å; R288-E290 IonicContact NE-OE1 2.76Å; R288-E290 IonicContact NE-OE2 2.72Å; R288-E290 PolarHBondContact NE-OE2 2.85Å; R288-E290 IonicContact NH2-OE1 2.87Å; R288-E290 PolarHBondContact NH2-OE1 3.01Å; R288-E290 IonicContact NH2-OE2 3.18Å; R288-E290 PolarHBondContact NH2-OE2 2.86Å
289V26.9Very low26.6Very low140 Ų140146.6 Ų146.685%0.84875%0.751SS**  trans-146.8162.3140.7-171.30000110
290E25.5Very low26.9Very low133 Ų133144.3 Ų144.362%0.62175%0.745SS**  trans-101.5-170.4178.8-75.4132.1107.900112.6R288R288-E290 IonicContact CZ-OE1 3.88Å; R288-E290 IonicContact CZ-OE2 2.86Å; R288-E290 IonicContact NE-OE1 2.76Å; R288-E290 IonicContact NE-OE2 2.72Å; R288-E290 PolarHBondContact NE-OE2 2.85Å; R288-E290 IonicContact NH2-OE1 2.87Å; R288-E290 PolarHBondContact NH2-OE1 3.01Å; R288-E290 IonicContact NH2-OE2 3.18Å; R288-E290 PolarHBondContact NH2-OE2 2.86Å
291A27.1Very low27.2Very low86 Ų86149.1 Ų149.171%0.71176%0.755SS**  cis-163.4165.621.100000117
292S26Very low27.5Very low109 Ų109151 Ų15176%0.76276%0.757SS**  trans50.3124.814461.90000124.9
293S24.4Very low27.8Very low123 Ų123151.3 Ų151.386%0.8676%0.759SS**  175.8165.412641.80000114.6
294L29.4Very low27.9Very low164 Ų164153.6 Ų153.686%0.85976%0.762SS**  trans-141.6149.5174.1-80.4173.6000108.6
295P34.2Very low28.2Very low118 Ų118150.7 Ų150.777%0.76677%0.765SS**  -133.1159.880.711.213.8000114.5
296E27.9Very low28.3Very low142 Ų142148.7 Ų148.766%0.66477%0.771SS**  61.7129.981.4-128.4-154.3136.700114R298E296-R298 IonicContact OE1-CZ 2.68Å; E296-R298 IonicContact OE1-NE 2.63Å; E296-R298 IonicContact OE1-NH2 3.54Å; E296-R298 PolarHBondContact OE1-NH2 2.72Å
297V28.1Very low28.5Very low101 Ų101141.8 Ų141.861%0.61276%0.76SS**  -169.112465.4163.90000114.1
298R29.1Very low28.6Very low205 Ų205145.3 Ų145.377%0.77477%0.773SS**  trans54.1164.2144.9-54167.1-156.5166.58.5120.1E296E296-R298 IonicContact OE1-CZ 2.68Å; E296-R298 IonicContact OE1-NE 2.63Å; E296-R298 IonicContact OE1-NH2 3.54Å; E296-R298 PolarHBondContact OE1-NH2 2.72Å
299T30.2Very low28.5Very low144 Ų144143.9 Ų143.988%0.88378%0.78SS**  cis-139.5167.511.162.70000110.7
300G29.2Very low28.6Very low65 Ų65141.1 Ų141.167%0.6777%0.772SS**  cis163.1146.9-16.500000115.6
301K31.3Very low28.6Very low190 Ų190142.9 Ų142.983%0.82678%0.78SS**  trans75.8148.8163.3-58.7169.6-175.6167.50117.2
302R28.8Very low28.5Very low212 Ų212143 Ų14380%0.878%0.775SS**  cis-158.5142.6-1.8-125.3170-179.3172.6-4.5113.9
303K30.5Very low28.6Very low172 Ų172146.1 Ų146.175%0.74878%0.783SS**  trans31.3132140.6-70.1-170.7175.8-169.50121.7
304R27.8Very low28.6Very low232 Ų232143.3 Ų143.388%0.87577%0.773SS**  68148.473.7-65.8-173.9-175.9177.51.3113.6
305S29.7Very low29.3Very low123 Ų123141.1 Ų141.186%0.8677%0.769SS**  cis-152.9-162.224.247.30000114.3
306S28.4Very low29Very low112 Ų112146.5 Ų146.578%0.78377%0.774SS**  trans-138.2154-171540000114.4
307S29.8Very low29Very low104 Ų104144.7 Ų144.773%0.72778%0.777SS**  trans-174.8132153.431.90000107.3
308E27.9Very low28.9Very low186 Ų186149.3 Ų149.387%0.86979%0.789SS**  67117.872.7-64.7173.2159.500111.1
309D25.7Very low29Very low161 Ų161145.6 Ų145.686%0.86179%0.789SS**  -167175.773.9-139.3-33.5000116.2
310A28.9Very low28.8Very low81 Ų81147.3 Ų147.367%0.66978%0.784SS**  trans66.6122.6149.700000125.5
311E26.3Very low28.7Very low170 Ų170153.4 Ų153.479%0.79479%0.792SS**  trans81.2121.5130.9-79.7-6110100126.8
312S25.2Very low28.7Very low88 Ų88150.7 Ų150.762%0.61579%0.785SS**  trans94.2119.6133.579.80000123.5
313L27.4Very low28.7Very low175 Ų175148.3 Ų148.392%0.91679%0.786SS**  trans60140.5137.2-59.1174.3000124.1
314G23.8Very low28.5Very low65 Ų65148.7 Ų148.767%0.6779%0.791SS**  trans-134.5-160.8146.200000108.8
315P45Very low28.6Very low117 Ų117146.2 Ų146.276%0.7679%0.787SS**  cis-137.8-170-4.132.9-9.8000114.6
316R27.4Very low28.5Very low231 Ų231146.7 Ų146.787%0.87278%0.78SS**  trans119.1156.1146-62.5178.9171.1-166.4-0.9119.3
317S28.8Very low28.5Very low104 Ų104148.1 Ų148.173%0.72778%0.777SS**  trans100.486.2144.3-51.70000122.6
318K26.2Very low28.4Very low198 Ų198150.3 Ų150.386%0.86178%0.779SS**  35.6126.9116.5-57.2174.1171.3177.40121.8
319V30Very low28.2Very low128 Ų128151.3 Ų151.378%0.77678%0.78SS**  155.8138.1109.9162.80000116.6
320K26.5Very low28.2Very low179 Ų179151.3 Ų151.378%0.77878%0.775SS**  trans-28146.3165.4-41.1164.1-177.2176.60121.7
321K26.6Very low28.6Very low194 Ų194152.4 Ų152.484%0.84378%0.776SS**  -179.7151.8111.3-96.3-174.9175.9-175.80108.3
322I31.3Very low28.5Very low133 Ų133148.9 Ų148.968%0.68277%0.769SS**  cis829723.5-51175.2000115.8
323I28.9Very low28.6Very low161 Ų161153.8 Ų153.883%0.82678%0.783SS**  trans-149.1128.5151.4-56.4-176.4000103.6
324Q27.6Very low28.6Very low180 Ų180150 Ų15084%0.84178%0.776SS**  cis97154.341.7-81.1-177.1-58.500114.8
325K29.6Very low28.8Very low181 Ų181151.5 Ų151.579%0.78778%0.777SS**  trans-102.2170.7-163.7-64.1177.9175.4-177.10112.5
326D26.6Very low28.4Very low133 Ų133154.3 Ų154.371%0.71178%0.777SS**  175.8131.5108.3-83.1-21.5000111.7
327I29.7Very low28.5Very low141 Ų141149.5 Ų149.572%0.72377%0.765SS**  45.3144.196.17.7178.1000116
328I27.7Very low28.7Very low151 Ų151150.7 Ų150.777%0.77476%0.763SS**  cis-153.2152.314.7-28.6155.3000111.4
329K23.9Very low29Very low206 Ų206151.7 Ų151.790%0.89676%0.761SS**  trans-169.8148.2133-112.6-178.5-179.4-175.30116.2
330E24.2Very low29.1Very low161 Ų161151.5 Ų151.575%0.75276%0.756SS**  trans-103.1179.1175.6-87.5-72.3134.200110
331P36.9Very low29.4Very low105 Ų105149.9 Ų149.968%0.68275%0.754SS**  cis-148.1167.32744.1-23.6000121.5
332S26.3Very low29.4Very low95 Ų95148.3 Ų148.366%0.66475%0.75SS**  trans56.9144.1141.265.10000121.1
333E25.4Very low29.5Very low191 Ų191149.4 Ų149.489%0.89376%0.755SS**  cis-150.3-165.441.5-91.3-159.2113.600115
334A27.9Very low29.3Very low95 Ų95147.3 Ų147.379%0.78576%0.755SS**  trans-75.2-179.5-164.900000116.7
335S28.9Very low29.3Very low97 Ų97144.4 Ų144.468%0.67875%0.75SS**  cis-166.114624.7610000117.7
336K36.6Very low29.5Very low177 Ų177144.4 Ų144.477%0.7775%0.753SS**  trans63.2156.1137.1-72.1173.7162.1-123.80120.6
337E30.1Very low29.8Very low130 Ų130147 Ų14761%0.60776%0.761SS**  cis-154.2136.15.7-148.5142.3-124.200114.9
338N32.4Very low30.1Very low129 Ų129147.2 Ų147.269%0.6976%0.758SS**  trans44.2161.4145.6-51.1-5.8000122.8
339R32.3Very low30.2Very low219 Ų219148 Ų14883%0.82676%0.756SS**  cis-141140.314.9-77.2-177166.8141.2-0.5113.8
340D31.8Very low30.4Very low124 Ų124144.9 Ų144.966%0.66375%0.749SS**  35.9131120.5-32.3-44.5000119.8
341I32.6Very low30.6Very low144 Ų144143.5 Ų143.574%0.73875%0.752SS**  176.6152.186.7-89.8176.9000107.3
342E27.6Very low30.2Very low161 Ų161142.5 Ų142.575%0.75276%0.76SS**  cis-164.6165.9-14.9-99.1165.8-159.600108.7
343I32.8Very low30.5Very low157 Ų157145.4 Ų145.481%0.80577%0.769SS**  trans-147.6146.3171.1-64.3-179.2000109.7T345I343-T345 HydrophobicContact CG2-CG2 4.44Å
344S24.2Very low30.9Very low117 Ų117144.5 Ų144.582%0.81877%0.769SS**  trans-141.8148.6170.5-57.60000113.7
345T28.6Very low31.2Very low118 Ų118149.3 Ų149.372%0.72477%0.772SS**  trans-154.4175.7-169.852.80000110.8I343I343-T345 HydrophobicContact CG2-CG2 4.44Å
346E32.9Very low31.2Very low182 Ų182152 Ų15285%0.8578%0.779SS**  cis-119.9-95.811.3-80.6-171.4-114.800116
347E34.1Very low30.8Very low188 Ų188148.4 Ų148.488%0.87978%0.776SS**  cis-136.4-156.110.7-69.7-176.881.700113.2
348E34.4Very low30.9Very low144 Ų144147.6 Ų147.667%0.67379%0.785SS**  trans-93.7161.9-157-65.8-156.7108.500120.9
349K29.8Very low31.1Very low167 Ų167149.8 Ų149.873%0.72680%0.796SS**  trans62.5154.2145.3-72.2159.6-171.6154.20119.1
350D28Very low31.5Very low142 Ų142147 Ų14776%0.75980%0.796SS**  cis-144.8-159.926.2-163.4-2.1000113.2
351T29.8Very low31.8Very low132 Ų132150.7 Ų150.781%0.8181%0.806SS**  trans-89164.3-156.942.10000118
352G28.2Very low31.9Very low83 Ų83150.3 Ų150.386%0.85681%0.811SS**  trans156.8111.5164.200000114.8
353D32Very low32.3Very low157 Ų157153 Ų15384%0.8482%0.82SS**  trans-113.5135.8176.2-179.622.6000111.3
354L34.7Very low32.9Very low172 Ų172157.4 Ų157.490%0.90183%0.827SS**  trans-166.5153.6166.6-112.3170.4000112.5
355K32.5Very low33.8Very low195 Ų195161.5 Ų161.585%0.84883%0.83SS**  trans-87.5141.5-164.4-83.1-179.6176.5173.30116.6
356D30.3Very low34.5Very low153 Ų153165 Ų16582%0.81884%0.837SS**  trans38.8105.9133.1-165.715.3000119.8
357S27Very low34.9Very low103 Ų103166.3 Ų166.372%0.7284%0.841SS**  trans-177170.9131.650.20000112.5
358S32Very low35.2Very low112 Ų112165.1 Ų165.178%0.78383%0.832SS**  trans71.960.2166.876.90000118.5L360S358-L360 PolarHBondContact O-N 2.76Å
359L36.7Very low35.6Very low176 Ų176167.7 Ų167.792%0.92184%0.841SS**  trans-58.2105.4147.9-82171.9000110.1
360L40.7Very low36Very low160 Ų160168.7 Ų168.784%0.83885%0.848SS**  trans177.2154.6141.7-97164.9000112.2S358S358-L360 PolarHBondContact O-N 2.76Å
361K38.8Very low36.6Very low201 Ų201171.6 Ų171.687%0.87485%0.854SS**SBendtrans79.132.8167.2-56175.5-1771710122.1
362T35.2Very low37Very low136 Ų136171.8 Ų171.883%0.83485%0.846SS**  trans-129.56.2163.446.60000117.7R364T362-R364 PolarHBondContact O-N 3.33Å
363K35.2Very low37.4Very low219 Ų219178.8 Ų178.895%0.95285%0.846SS**  trans-76.263174.8-79-175.8175.9171.90114
364R46Very low38.1Very low249 Ų249180.2 Ų180.294%0.9485%0.847SS**  trans-131.126.6175.2-99.4-168.6179.8-174.82115.3T362T362-R364 PolarHBondContact O-N 3.33Å
365K43.8Very low38.3Very low203 Ų203181.9 Ų181.988%0.88385%0.848SS**SBendtrans-141.124.7177.9-115.7172.8-174.4179.50118.2
366H41.4Very low38.2Very low190 Ų190179 Ų17988%0.8884%0.839SS**SBendtrans-14452.6171.7-131.6-95.7000116.8
367K42.8Very low38.4Very low211 Ų211174.6 Ų174.692%0.91783%0.83SS**  trans-146.231.8165.1-145.6165.4-174.11710115.3
368K40.9Very low39.5Very low162 Ų162177.2 Ų177.270%0.70483%0.83SS**  trans-115.652.4174.8-160.9-161.9169.4-167.70112.5
369K41.2Very low40.3Very low198 Ų198178.4 Ų178.486%0.86182%0.823SS**SBendtrans-13821167.5-79.6-161.8178.9-175.40113.9
370H38.6Very low41.3Very low188 Ų188174.3 Ų174.387%0.8781%0.806SS**SBendtrans-142.930.2172.1-153.5-69.3000113.4
371K41.6Very low42.6Very low203 Ų203169.9 Ų169.988%0.88378%0.782SS**SBendtrans-136.837.7169-156.8-176.7176.9-176.50111
372E36.6Very low44.2Very low136 Ų136163 Ų16364%0.63676%0.758SS**  trans-141.748.5-171.1-158.4144.7-135.600110
373R37.9Very low46.4Very low230 Ų230156.8 Ų156.887%0.86872%0.72SS**SBendtrans-137.117.5169.2-80.2-164.8171.9-130.1-0.7112.8
374H45.4Very low48.7Very low187 Ų187147.2 Ų147.287%0.86668%0.677SS**SBendtrans-128.739.3177.4-67.9-55.4000111.7
375K39.3Very low50.7Low208 Ų208135.3 Ų135.390%0.90463%0.633SS**  trans-150.450.3161.3-115-165.1-179.5-164.80110.3
376M29.9Very low52.8Low134 Ų134126.5 Ų126.566%0.6660%0.595SS**SBendtrans-64.4153.8141.4-65.9-59-69.900106.9E379M376-E379 WeakPolarHBondContact CE-OE1 3.3Å
377G34.8Very low55.1Low61 Ų61118.3 Ų118.363%0.62956%0.559SS**  trans-60173166.600000111.1E379G377-E379 PolarHBondContact O-N 3.28Å
378E50.6Low57.3Low157 Ų157109.5 Ų109.573%0.73452%0.521SS*.  trans-73.375.3169.8-164152.5-150.300108.5K154 V380K154-E378 IonicContact NZ-OE1 3.79Å; K154-E378 PolarHBondContact NZ-OE1 2.8Å; E378-V380 PolarHBondContact O-N 2.71Å
379E48.7Very low59.5Low137 Ų137105.1 Ų105.164%0.6451%0.511SS*.  trans-57.294.4161.9-76.3178.7178.100106.8M376 G377 I381M376-E379 WeakPolarHBondContact CE-OE1 3.3Å; G377-E379 PolarHBondContact O-N 3.28Å; E379-I381 PolarHBondContact O-N 3.48Å
380V59.2Low61.7Low90 Ų9099.8 Ų99.855%0.54549%0.489SS..  trans-64.388.3170179.10000106.3N195 E378 P382N195-V380 HydrophobicContact CB-CG1 3.84Å; E378-V380 PolarHBondContact O-N 2.71Å; V380-P382 WeakPolarHBondContact O-CD 3.3Å
381I66.6Low64.1Low67 Ų6792 Ų9234%0.34445%0.452SS..  trans-50.7118.3174.4-70.1168.4000105.6P140 W147 E379 L383P140-I381 HydrophobicContact CG-CG2 4.2Å; W147-I381 HydrophobicContact CZ2-CD1 3.87Å; E379-I381 PolarHBondContact O-N 3.48Å; I381-L383 HydrophobicContact CG2-CD2 4.21Å; I381-L383 HydrophobicContact CG2-CG 4.47Å; I381-L383 WeakPolarHBondContact O-CG 3.47Å; I381-L383 PolarHBondContact O-N 3.29Å
382P71.8Confident66.2Low56 Ų5686 Ų8636%0.36443%0.428SS..  trans-83.589.1-157.933.6-38.5000109.2L138 N195 P197 V380L138-P382 WeakPolarHBondContact CD1-O 3.49Å; N195-P382 CarbonylContact O-C 3.08Å; N195-P382 WeakPolarHBondContact O-CA 3.47Å; N195-P382 VanDerWaalsContact O-CB 3.27Å; N195-P382 WeakPolarHBondContact O-CB 3.22Å; P197-P382 HydrophobicContact CB-CB 3.76Å; P197-P382 HydrophobicContact CB-CG 3.81Å; P197-P382 HydrophobicContact CG-CB 3.89Å; P197-P382 HydrophobicContact CG-CG 3.83Å; V380-P382 WeakPolarHBondContact O-CD 3.3Å
383L82.1Confident68.6Low7 Ų783.5 Ų83.54%0.03742%0.419CS..  trans-86.9139-176.9-64.9178.4000110.3V136 L139 W147 F152 N195 I381 V385V136-L383 HydrophobicContact CG1-CD1 4.29Å; V136-L383 HydrophobicContact CG1-CD2 4.21Å; L139-L383 HydrophobicContact CD2-CD2 3.86Å; W147-L383 HydrophobicContact CH2-CD1 4.12Å; W147-L383 HydrophobicContact CH2-CD2 4.3Å; F152-L383 HydrophobicContact CE2-CD1 4.2Å; F152-L383 HydrophobicContact CZ-CD1 4.1Å; N195-L383 CarbonylContact C-O 3.44Å; N195-L383 PolarHBondContact N-O 3.27Å; N195-L383 PolarHBondContact O-N 2.7Å; I381-L383 HydrophobicContact CG2-CD2 4.21Å; I381-L383 HydrophobicContact CG2-CG 4.47Å; I381-L383 WeakPolarHBondContact O-CG 3.47Å; I381-L383 PolarHBondContact O-N 3.29Å; L383-V385 HydrophobicContact CB-CG2 3.91Å
384R83.2Confident70.8Confident17 Ų1774.4 Ų74.46%0.06439%0.387CS..EExtended strand (participates in β ladder)trans-96.9121.2163.8177.4-178.4-70156.2-11.3108.4E137 L138 P196 P201 L386E137-R384 HydrophobicContact CB-CB 4.23Å; E137-R384 PolarHBondContact N-O 2.88Å; E137-R384 PolarHBondContact O-N 3.27Å; E137-R384 WeakPolarHBondContact OE2-CD 3.42Å; E137-R384 IonicContact OE2-CZ 2.7Å; E137-R384 IonicContact OE2-NE 2.59Å; E137-R384 IonicContact OE2-NH1 2.57Å; E137-R384 PolarHBondContact OE2-NH1 3.25Å; L138-R384 HydrophobicContact CD1-CB 4.43Å; P196-R384 HydrophobicContact CB-CB 4.39Å; P196-R384 HydrophobicContact CG-CB 4.22Å; P196-R384 HydrophobicContact CG-CG 4.32Å; P201-R384 PolarHBondContact O-NH2 3.16Å; R384-L386 HydrophobicContact CG-CD1 4.23Å; R384-L386 HydrophobicContact CG-CD2 4.47Å; R384-L386 HydrophobicContact CG-CG 4.16Å
385V87.8Confident72.5Confident0 Ų068.7 Ų68.70%036%0.36CS..EExtended strand (participates in β ladder)trans-125.8123.9-172.8-1730000108.3V134 Y135 V136 F152 I190 L193 N194 L383V134-V385 HydrophobicContact CG1-CG1 3.21Å; Y135-V385 WeakPolarHBondContact O-CA 3.48Å; V136-V385 HydrophobicContact CG1-CG2 4.41Å; F152-V385 HydrophobicContact CE1-CG1 4.33Å; F152-V385 HydrophobicContact CZ-CG2 4.41Å; I190-V385 HydrophobicContact CG1-CG1 4.14Å; L193-V385 HydrophobicContact CB-CG2 3.92Å; L193-V385 WeakPolarHBondContact O-CG2 3.38Å; N194-V385 HydrophobicContact CB-CB 3.96Å; N194-V385 VanDerWaalsContact CG-O 3.22Å; N194-V385 PolarHBondContact OD1-N 3.43Å; N194-V385 PolarHBondContact OD1-O 2.88Å; L383-V385 HydrophobicContact CB-CG2 3.91Å
386L88.1Confident74.8Confident17 Ų1765.4 Ų65.49%0.08935%0.346CS..EExtended strand (participates in β ladder)trans-137.6155.6-169.3-61.4173.4000110.6V134 Y135 P204 R384 E390 L394V134-L386 WeakPolarHBondContact CG1-O 3.46Å; Y135-L386 HydrophobicContact CD1-CB 4.37Å; Y135-L386 HydrophobicContact CD1-CD1 4.16Å; Y135-L386 PolarHBondContact N-O 3.02Å; Y135-L386 PolarHBondContact O-N 3.36Å; P204-L386 HydrophobicContact CB-CD1 3.91Å; P204-L386 HydrophobicContact CG-CD1 4.49Å; R384-L386 HydrophobicContact CG-CD1 4.23Å; R384-L386 HydrophobicContact CG-CD2 4.47Å; R384-L386 HydrophobicContact CG-CG 4.16Å; L386-E390 HydrophobicContact CB-CB 4.49Å; L386-E390 WeakPolarHBondContact CB-OE2 3.11Å; L386-E390 WeakPolarHBondContact CD2-OE2 3.19Å; L386-L394 HydrophobicContact CD1-CD1 3.94Å
387S91.3Very high77.2Confident19 Ų1964 Ų6413%0.13334%0.338CS..EExtended strand (participates in β ladder)trans-68159.4171.574.40000111.7S389 E390 W391S387-S389 VanDerWaalsContact C-N 3.31Å; S387-S389 PolarHBondContact O-N 2.81Å; S387-S389 PolarHBondContact OG-OG 3.36Å; S387-E390 WeakPolarHBondContact CB-OE1 3.48Å; S387-E390 PolarHBondContact N-OE2 3.29Å; S387-E390 VanDerWaalsContact N-OE2 3.12Å; S387-E390 VanDerWaalsContact OG-CG 3.28Å; S387-E390 WeakPolarHBondContact OG-CG 3.31Å; S387-E390 PolarHBondContact OG-N 3.1Å; S387-E390 PolarHBondContact OG-OE1 2.84Å; S387-W391 PolarHBondContact O-N 2.65Å; S387-W391 VanDerWaalsContact O-N 3.07Å
388K88Confident79.3Confident26 Ų2663.4 Ų63.411%0.11332%0.316CS..Hα-helixtrans-62.3-37.9176.1-172.761163.6-148.20113.6D130 T133 F177 W391 M392D130-K388 HydrophobicContact CB-CB 4.27Å; D130-K388 HydrophobicContact CB-CG 3.71Å; D130-K388 WeakPolarHBondContact O-CB 3.18Å; D130-K388 WeakPolarHBondContact OD1-CE 3.47Å; D130-K388 VanDerWaalsContact OD1-CG 3.31Å; D130-K388 WeakPolarHBondContact OD1-CG 3.27Å; T133-K388 WeakPolarHBondContact O-CB 3.4Å; T133-K388 PolarHBondContact O-N 2.99Å; T133-K388 WeakPolarHBondContact OG1-CB 3.46Å; T133-K388 WeakPolarHBondContact OG1-CD 3.37Å; T133-K388 VanDerWaalsContact OG1-CG 3.28Å; T133-K388 WeakPolarHBondContact OG1-CG 3.34Å; F177-K388 HydrophobicContact CD1-CD 4.11Å; F177-K388 VanDerWaalsContact CD1-NZ 3.31Å; F177-K388 HydrophobicContact CE1-CD 3.99Å; F177-K388 VanDerWaalsContact CE1-NZ 3.34Å; K388-W391 HydrophobicContact CD-CE3 4.16Å; K388-W391 PolarHBondContact O-N 3.26Å; K388-M392 WeakPolarHBondContact O-CB 3.19Å; K388-M392 VanDerWaalsContact O-CG 3.28Å; K388-M392 WeakPolarHBondContact O-CG 3.3Å; K388-M392 PolarHBondContact O-N 2.78Å
389S87.7Confident80.7Confident69 Ų6959.4 Ų59.448%0.48330%0.3SS..Hα-helixtrans-63.8-51.7178.130.70000110.4S387 W391 M392 D393S387-S389 VanDerWaalsContact C-N 3.31Å; S387-S389 PolarHBondContact O-N 2.81Å; S387-S389 PolarHBondContact OG-OG 3.36Å; S389-W391 VanDerWaalsContact C-N 3.3Å; S389-W391 PolarHBondContact O-N 3.04Å; S389-M392 WeakPolarHBondContact O-CB 3.14Å; S389-M392 PolarHBondContact O-N 3.42Å; S389-D393 PolarHBondContact O-N 3.03Å
390E87.1Confident82.3Confident87 Ų8755.6 Ų55.641%0.40729%0.292SS..Hα-helixtrans-51.7-48.9172-73.9149.1-127.100111.4L386 S387 M392 D393 L394L386-E390 HydrophobicContact CB-CB 4.49Å; L386-E390 WeakPolarHBondContact CB-OE2 3.11Å; L386-E390 WeakPolarHBondContact CD2-OE2 3.19Å; S387-E390 WeakPolarHBondContact CB-OE1 3.48Å; S387-E390 PolarHBondContact N-OE2 3.29Å; S387-E390 VanDerWaalsContact N-OE2 3.12Å; S387-E390 VanDerWaalsContact OG-CG 3.28Å; S387-E390 WeakPolarHBondContact OG-CG 3.31Å; S387-E390 PolarHBondContact OG-N 3.1Å; S387-E390 PolarHBondContact OG-OE1 2.84Å; E390-M392 VanDerWaalsContact C-N 3.32Å; E390-M392 PolarHBondContact O-N 2.88Å; E390-D393 PolarHBondContact O-N 3.26Å; E390-L394 WeakPolarHBondContact O-CB 3.23Å; E390-L394 WeakPolarHBondContact O-CD1 3.3Å; E390-L394 WeakPolarHBondContact O-CG 3.07Å; E390-L394 PolarHBondContact O-N 3.26Å
391W88.6Confident83.4Confident24 Ų2456.7 Ų56.79%0.09129%0.294CS..Hα-helixtrans-62.1-37.3178.1178.379.2000113.1Y135 F177 F207 S387 K388 S389 K395Y135-W391 HydrophobicContact CD1-CB 4.29Å; Y135-W391 AromaticContact CD1-CD1 3.46Å; Y135-W391 VanDerWaalsContact CD1-CD1 3.46Å; Y135-W391 HydrophobicContact CD1-CG 4.1Å; Y135-W391 AromaticContact CD2-CD1 3.38Å; Y135-W391 HydrophobicContact CD2-CD2 4.28Å; Y135-W391 AromaticContact CD2-CG 3.85Å; Y135-W391 HydrophobicContact CD2-CG 3.85Å; Y135-W391 AromaticContact CD2-NE1 3.52Å; Y135-W391 AromaticContact CE1-CD1 3.47Å; Y135-W391 VanDerWaalsContact CE1-CD1 3.47Å; Y135-W391 HydrophobicContact CE1-CG 4.49Å; Y135-W391 AromaticContact CE1-NE1 3.99Å; Y135-W391 AromaticContact CE2-CD1 3.39Å; Y135-W391 HydrophobicContact CE2-CG 4.26Å; Y135-W391 AromaticContact CE2-NE1 3.17Å; Y135-W391 HydrophobicContact CG-CB 4.03Å; Y135-W391 AromaticContact CG-CD1 3.38Å; Y135-W391 AromaticContact CG-CG 3.73Å; Y135-W391 HydrophobicContact CG-CG 3.73Å; Y135-W391 AromaticContact CZ-CD1 3.44Å; Y135-W391 VanDerWaalsContact CZ-CD1 3.44Å; Y135-W391 AromaticContact CZ-NE1 3.45Å; F177-W391 AromaticContact CE1-CD2 3.82Å; F177-W391 HydrophobicContact CE1-CD2 3.82Å; F177-W391 AromaticContact CE1-CE3 3.78Å; F177-W391 HydrophobicContact CE1-CE3 3.78Å; F177-W391 HydrophobicContact CE1-CG 4.36Å; F177-W391 HydrophobicContact CE1-CH2 4.35Å; F177-W391 HydrophobicContact CE1-CZ2 4.39Å; F177-W391 HydrophobicContact CE1-CZ3 4.05Å; F177-W391 HydrophobicContact CE2-CH2 4.41Å; F177-W391 AromaticContact CZ-CD2 3.9Å; F177-W391 HydrophobicContact CZ-CD2 3.9Å; F177-W391 AromaticContact CZ-CE2 3.77Å; F177-W391 AromaticContact CZ-CE3 3.84Å; F177-W391 HydrophobicContact CZ-CE3 3.84Å; F177-W391 AromaticContact CZ-CH2 3.55Å; F177-W391 HydrophobicContact CZ-CH2 3.55Å; F177-W391 AromaticContact CZ-CZ2 3.62Å; F177-W391 HydrophobicContact CZ-CZ2 3.62Å; F177-W391 AromaticContact CZ-CZ3 3.66Å; F177-W391 HydrophobicContact CZ-CZ3 3.66Å; F207-W391 AromaticContact CE1-CE2 3.84Å; F207-W391 AromaticContact CE1-CZ2 3.91Å; F207-W391 HydrophobicContact CE1-CZ2 3.91Å; F207-W391 AromaticContact CE1-NE1 3.44Å; F207-W391 HydrophobicContact CZ-CZ2 4.47Å; F207-W391 AromaticContact CZ-NE1 3.55Å; S387-W391 PolarHBondContact O-N 2.65Å; S387-W391 VanDerWaalsContact O-N 3.07Å; K388-W391 HydrophobicContact CD-CE3 4.16Å; K388-W391 PolarHBondContact O-N 3.26Å; S389-W391 VanDerWaalsContact C-N 3.3Å; S389-W391 PolarHBondContact O-N 3.04Å; W391-K395 HydrophobicContact CE3-CD 4.36Å; W391-K395 HydrophobicContact CH2-CD 3.51Å; W391-K395 HydrophobicContact CZ2-CD 3.84Å; W391-K395 HydrophobicContact CZ3-CD 3.8Å; W391-K395 WeakPolarHBondContact O-CB 3.16Å; W391-K395 PolarHBondContact O-N 2.84Å
392M86.2Confident83.9Confident77 Ų7756 Ų5638%0.37929%0.289SS..Hα-helixtrans-69.1-38.7177.1-78.3-73.2-82.900112.3K388 S389 E390 K395 K396K388-M392 WeakPolarHBondContact O-CB 3.19Å; K388-M392 VanDerWaalsContact O-CG 3.28Å; K388-M392 WeakPolarHBondContact O-CG 3.3Å; K388-M392 PolarHBondContact O-N 2.78Å; S389-M392 WeakPolarHBondContact O-CB 3.14Å; S389-M392 PolarHBondContact O-N 3.42Å; E390-M392 VanDerWaalsContact C-N 3.32Å; E390-M392 PolarHBondContact O-N 2.88Å; M392-K395 HydrophobicContact SD-CD 4.26Å; M392-K395 PolarHBondContact SD-NZ 2.98Å; M392-K396 VanDerWaalsContact O-CB 3.31Å; M392-K396 WeakPolarHBondContact O-CB 3.45Å; M392-K396 PolarHBondContact O-N 2.86Å
393D86.8Confident84.4Confident84 Ų8460.8 Ų60.845%0.44930%0.304SS..Hα-helixtrans-75-40.1176-80.3-53.5000112.4S389 E390 K395 K396 E397S389-D393 PolarHBondContact O-N 3.03Å; E390-D393 PolarHBondContact O-N 3.26Å; D393-K395 VanDerWaalsContact C-N 3.27Å; D393-K395 PolarHBondContact O-N 3.3Å; D393-K396 CarbonylContact O-C 3.59Å; D393-K396 WeakPolarHBondContact O-CB 3.32Å; D393-K396 PolarHBondContact O-N 2.83Å; D393-K396 VanDerWaalsContact O-N 3.07Å; D393-K396 VanDerWaalsContact OD1-CD 3.24Å; D393-K396 WeakPolarHBondContact OD1-CD 3.37Å; D393-K396 IonicContact OD1-NZ 3.07Å; D393-K396 PolarHBondContact OD1-NZ 2.97Å; D393-E397 PolarHBondContact O-N 2.76Å
394L83.6Confident84.3Confident39 Ų3963.3 Ų63.320%0.20433%0.326CS..Hα-helixtrans-57-40.9169.4-73.8163.2000111.7P204 L386 E390 Y398P204-L394 HydrophobicContact CB-CD1 3.58Å; P204-L394 HydrophobicContact CB-CD2 4.08Å; P204-L394 HydrophobicContact CB-CG 4.49Å; L386-L394 HydrophobicContact CD1-CD1 3.94Å; E390-L394 WeakPolarHBondContact O-CB 3.23Å; E390-L394 WeakPolarHBondContact O-CD1 3.3Å; E390-L394 WeakPolarHBondContact O-CG 3.07Å; E390-L394 PolarHBondContact O-N 3.26Å; L394-Y398 VanDerWaalsContact O-CB 3.27Å; L394-Y398 WeakPolarHBondContact O-CB 3.48Å; L394-Y398 PolarHBondContact O-N 2.74Å
395K82.1Confident84.2Confident66 Ų6664.4 Ų64.429%0.28734%0.336SS..Hα-helixtrans-66.5-37.8174.2172.6-178.7158.4-151.90112.6F207 W391 M392 D393 L399F207-K395 HydrophobicContact CE1-CB 4.32Å; F207-K395 HydrophobicContact CE2-CB 4.01Å; F207-K395 HydrophobicContact CZ-CB 3.6Å; F207-K395 HydrophobicContact CZ-CG 4.26Å; W391-K395 HydrophobicContact CE3-CD 4.36Å; W391-K395 HydrophobicContact CH2-CD 3.51Å; W391-K395 HydrophobicContact CZ2-CD 3.84Å; W391-K395 HydrophobicContact CZ3-CD 3.8Å; W391-K395 WeakPolarHBondContact O-CB 3.16Å; W391-K395 PolarHBondContact O-N 2.84Å; M392-K395 HydrophobicContact SD-CD 4.26Å; M392-K395 PolarHBondContact SD-NZ 2.98Å; D393-K395 VanDerWaalsContact C-N 3.27Å; D393-K395 PolarHBondContact O-N 3.3Å; K395-L399 HydrophobicContact CG-CD1 4.14Å; K395-L399 WeakPolarHBondContact O-CB 3.4Å; K395-L399 WeakPolarHBondContact O-CD1 3.49Å; K395-L399 WeakPolarHBondContact O-CG 3.36Å; K395-L399 PolarHBondContact O-N 3.15Å
396K86Confident83.7Confident140 Ų14065.3 Ų65.361%0.60934%0.341SS*.Hα-helixtrans-68.7-43.8176.5175.3-169.1174-170.70111M392 D393 L399 A400M392-K396 VanDerWaalsContact O-CB 3.31Å; M392-K396 WeakPolarHBondContact O-CB 3.45Å; M392-K396 PolarHBondContact O-N 2.86Å; D393-K396 CarbonylContact O-C 3.59Å; D393-K396 WeakPolarHBondContact O-CB 3.32Å; D393-K396 PolarHBondContact O-N 2.83Å; D393-K396 VanDerWaalsContact O-N 3.07Å; D393-K396 VanDerWaalsContact OD1-CD 3.24Å; D393-K396 WeakPolarHBondContact OD1-CD 3.37Å; D393-K396 IonicContact OD1-NZ 3.07Å; D393-K396 PolarHBondContact OD1-NZ 2.97Å; K396-L399 PolarHBondContact O-N 3Å; K396-A400 WeakPolarHBondContact O-CB 3.49Å; K396-A400 PolarHBondContact O-N 3.26Å
397E80.7Confident83.6Confident105 Ų10567.2 Ų67.249%0.49136%0.359SS..Hα-helixtrans-61.6-49.2172.4-166.2-163.2-175.400110.7D393 L399 A400 L401D393-E397 PolarHBondContact O-N 2.76Å; E397-L399 VanDerWaalsContact C-N 3.33Å; E397-L399 PolarHBondContact O-N 3.49Å; E397-A400 WeakPolarHBondContact O-CB 3.44Å; E397-A400 PolarHBondContact O-N 2.96Å; E397-A400 VanDerWaalsContact O-N 3.09Å; E397-L401 WeakPolarHBondContact O-CB 3.33Å; E397-L401 PolarHBondContact O-N 3.3Å
398Y80.3Confident83.2Confident47 Ų4769.9 Ų69.918%0.18438%0.378CS..Hα-helixtrans-56.5-44.2175174.3-92.4000112.3F207 L394 L401 Q402F207-Y398 HydrophobicContact CB-CD1 3.95Å; F207-Y398 HydrophobicContact CB-CD2 4.26Å; F207-Y398 HydrophobicContact CB-CE1 3.69Å; F207-Y398 HydrophobicContact CB-CE2 4.01Å; F207-Y398 HydrophobicContact CB-CG 4.24Å; F207-Y398 AromaticContact CD2-CD1 3.7Å; F207-Y398 HydrophobicContact CD2-CD1 3.7Å; F207-Y398 AromaticContact CD2-CD2 3.88Å; F207-Y398 HydrophobicContact CD2-CD2 3.88Å; F207-Y398 HydrophobicContact CD2-CE1 4.33Å; F207-Y398 HydrophobicContact CD2-CE2 4.48Å; F207-Y398 AromaticContact CD2-CG 3.45Å; F207-Y398 HydrophobicContact CD2-CG 3.45Å; F207-Y398 VanDerWaalsContact CD2-CG 3.45Å; F207-Y398 HydrophobicContact CE2-CG 4.26Å; F207-Y398 HydrophobicContact CG-CD1 4.06Å; F207-Y398 HydrophobicContact CG-CE1 4.3Å; F207-Y398 HydrophobicContact CG-CG 4.21Å; F207-Y398 PolarHBondContact O-OH 2.92Å; L394-Y398 VanDerWaalsContact O-CB 3.27Å; L394-Y398 WeakPolarHBondContact O-CB 3.48Å; L394-Y398 PolarHBondContact O-N 2.74Å; Y398-L401 PolarHBondContact O-N 3.45Å; Y398-Q402 VanDerWaalsContact O-CB 3.28Å; Y398-Q402 WeakPolarHBondContact O-CB 3.18Å; Y398-Q402 PolarHBondContact O-N 2.86Å
399L79.7Confident82.9Confident74 Ų7468.9 Ų68.939%0.38737%0.374SS..Hα-helixtrans-68.1-33.3177.2-74.3169.8000112.4K395 K396 E397 K403K395-L399 HydrophobicContact CG-CD1 4.14Å; K395-L399 WeakPolarHBondContact O-CB 3.4Å; K395-L399 WeakPolarHBondContact O-CD1 3.49Å; K395-L399 WeakPolarHBondContact O-CG 3.36Å; K395-L399 PolarHBondContact O-N 3.15Å; K396-L399 PolarHBondContact O-N 3Å; E397-L399 VanDerWaalsContact C-N 3.33Å; E397-L399 PolarHBondContact O-N 3.49Å; L399-K403 WeakPolarHBondContact O-CB 3.36Å; L399-K403 WeakPolarHBondContact O-CG 3.22Å; L399-K403 PolarHBondContact O-N 2.81Å
400A82.6Confident82.7Confident56 Ų5671.6 Ų71.646%0.46338%0.377SS..Hα-helixtrans-67.2-47.4172.700000111.3K396 E397 Q402 K403 A404K396-A400 WeakPolarHBondContact O-CB 3.49Å; K396-A400 PolarHBondContact O-N 3.26Å; E397-A400 WeakPolarHBondContact O-CB 3.44Å; E397-A400 PolarHBondContact O-N 2.96Å; E397-A400 VanDerWaalsContact O-N 3.09Å; A400-Q402 VanDerWaalsContact C-N 3.34Å; A400-Q402 PolarHBondContact O-N 2.79Å; A400-K403 WeakPolarHBondContact O-CB 3.36Å; A400-K403 PolarHBondContact O-N 3.02Å; A400-A404 WeakPolarHBondContact O-CB 3.33Å; A400-A404 PolarHBondContact O-N 3Å
401L81.1Confident82.7Confident114 Ų11474.9 Ų74.960%0.59739%0.39SS*.Hα-helixtrans-62.4-39.3175.8-172.4151.2000111.6E397 Y398 A404 S405E397-L401 WeakPolarHBondContact O-CB 3.33Å; E397-L401 PolarHBondContact O-N 3.3Å; Y398-L401 PolarHBondContact O-N 3.45Å; L401-A404 PolarHBondContact O-N 2.96Å; L401-S405 VanDerWaalsContact O-CB 3.25Å; L401-S405 WeakPolarHBondContact O-CB 3.31Å; L401-S405 PolarHBondContact O-N 3.44Å
402Q77.6Confident82.5Confident52 Ų5274.7 Ų74.724%0.24339%0.391CS..Hα-helixtrans-65-41.5174.1-169.4-178.145.300111.8Y398 A400 M406Y398-Q402 VanDerWaalsContact O-CB 3.28Å; Y398-Q402 WeakPolarHBondContact O-CB 3.18Å; Y398-Q402 PolarHBondContact O-N 2.86Å; A400-Q402 VanDerWaalsContact C-N 3.34Å; A400-Q402 PolarHBondContact O-N 2.79Å; Q402-M406 WeakPolarHBondContact O-CB 3.36Å; Q402-M406 VanDerWaalsContact O-CG 3.28Å; Q402-M406 WeakPolarHBondContact O-CG 3.45Å; Q402-M406 PolarHBondContact O-N 2.84Å
403K81.9Confident82.4Confident156 Ų15671.5 Ų71.568%0.67838%0.376SS*.Hα-helixtrans-62.2-47173.4-75.3169-176.8-178.90111.3L399 A400 M406 A407L399-K403 WeakPolarHBondContact O-CB 3.36Å; L399-K403 WeakPolarHBondContact O-CG 3.22Å; L399-K403 PolarHBondContact O-N 2.81Å; A400-K403 WeakPolarHBondContact O-CB 3.36Å; A400-K403 PolarHBondContact O-N 3.02Å; K403-M406 PolarHBondContact O-N 2.97Å; K403-A407 WeakPolarHBondContact O-CB 3.4Å; K403-A407 PolarHBondContact O-N 3.27Å
404A81Confident82.3Confident61 Ų6171.3 Ų71.350%0.50438%0.381SS..Hα-helixtrans-63.2-44.9178.900000112.1A400 L401 M406 A407 S408A400-A404 WeakPolarHBondContact O-CB 3.33Å; A400-A404 PolarHBondContact O-N 3Å; L401-A404 PolarHBondContact O-N 2.96Å; A404-M406 PolarHBondContact O-N 3.08Å; A404-A407 PolarHBondContact O-N 3Å; A404-S408 WeakPolarHBondContact O-CB 3.39Å; A404-S408 PolarHBondContact O-N 2.93Å
405S80.1Confident82.4Confident39 Ų3972.8 Ų72.827%0.27339%0.387SS..Hα-helixtrans-61.1-42.9174.5-178.80000112I216 L401 S408 L409I216-S405 WeakPolarHBondContact CD1-OG 3.28Å; L401-S405 VanDerWaalsContact O-CB 3.25Å; L401-S405 WeakPolarHBondContact O-CB 3.31Å; L401-S405 PolarHBondContact O-N 3.44Å; S405-S408 PolarHBondContact O-N 3.39Å; S405-L409 WeakPolarHBondContact O-CB 3.32Å; S405-L409 PolarHBondContact O-N 3.28Å
406M78.2Confident82.4Confident20 Ų2071.4 Ų71.410%0.09938%0.382CS..Hα-helixtrans-67.9-32.5174.2-75.8-74.7105.200113.3I216 Q402 K403 A404 L409 K410 T561 L564I216-M406 HydrophobicContact CB-CE 4.46Å; I216-M406 HydrophobicContact CD1-CE 3.81Å; I216-M406 HydrophobicContact CG1-CE 3.94Å; I216-M406 HydrophobicContact CG2-CE 3.66Å; Q402-M406 WeakPolarHBondContact O-CB 3.36Å; Q402-M406 VanDerWaalsContact O-CG 3.28Å; Q402-M406 WeakPolarHBondContact O-CG 3.45Å; Q402-M406 PolarHBondContact O-N 2.84Å; K403-M406 PolarHBondContact O-N 2.97Å; A404-M406 PolarHBondContact O-N 3.08Å; M406-L409 HydrophobicContact CE-CD2 3.65Å; M406-K410 WeakPolarHBondContact O-CB 3.39Å; M406-K410 VanDerWaalsContact O-CG 3.24Å; M406-K410 WeakPolarHBondContact O-CG 3.02Å; M406-K410 PolarHBondContact O-N 3.23Å; M406-T561 HydrophobicContact CE-CG2 4.1Å; M406-T561 HydrophobicContact SD-CG2 3.92Å; M406-L564 HydrophobicContact SD-CD1 3.81Å
407A84.8Confident82.1Confident57 Ų5769.7 Ų69.747%0.47138%0.375SS..Hα-helixtrans-69-45.1174.100000111.4K403 A404 K410 K411K403-A407 WeakPolarHBondContact O-CB 3.4Å; K403-A407 PolarHBondContact O-N 3.27Å; A404-A407 PolarHBondContact O-N 3Å; A407-K410 PolarHBondContact O-N 3.4Å; A407-K411 PolarHBondContact O-N 3.29Å
408S83.5Confident81.8Confident74 Ų7467.1 Ų67.152%0.51737%0.368SS..Hα-helixtrans-60.2-44.1173.3179.30000112.2A404 S405 K410 K411 T412A404-S408 WeakPolarHBondContact O-CB 3.39Å; A404-S408 PolarHBondContact O-N 2.93Å; S405-S408 PolarHBondContact O-N 3.39Å; S408-K410 PolarHBondContact O-N 3.24Å; S408-K411 PolarHBondContact O-N 2.99Å; S408-T412 PolarHBondContact O-N 2.89Å; S408-T412 PolarHBondContact O-OG1 3.07Å
409L80.6Confident81.2Confident6 Ų668.2 Ų68.23%0.03138%0.375CS..Hα-helixtrans-64.8-38.5175.6-171.766.1000112.3I216 L219 S405 M406 T412 I413 L564 A568I216-L409 HydrophobicContact CG2-CD2 4Å; L219-L409 HydrophobicContact CD1-CD1 4.02Å; L219-L409 HydrophobicContact CG-CD1 4.13Å; S405-L409 WeakPolarHBondContact O-CB 3.32Å; S405-L409 PolarHBondContact O-N 3.28Å; M406-L409 HydrophobicContact CE-CD2 3.65Å; L409-T412 WeakPolarHBondContact CA-OG1 3.25Å; L409-T412 PolarHBondContact O-OG1 3.16Å; L409-T412 VanDerWaalsContact O-OG1 3.09Å; L409-I413 HydrophobicContact CD1-CD1 4.19Å; L409-I413 HydrophobicContact CD1-CG1 4.46Å; L409-I413 HydrophobicContact CD2-CD1 4.45Å; L409-I413 HydrophobicContact CG-CD1 3.87Å; L409-I413 HydrophobicContact CG-CG1 4.49Å; L409-I413 VanDerWaalsContact O-CB 3.31Å; L409-I413 WeakPolarHBondContact O-CB 3.33Å; L409-I413 WeakPolarHBondContact O-CG1 3.47Å; L409-I413 PolarHBondContact O-N 3.02Å; L409-L564 HydrophobicContact CD2-CB 4.29Å; L409-A568 HydrophobicContact CD1-CB 3.94Å; L409-A568 HydrophobicContact CD2-CB 4.41Å
410K84.4Confident80.4Confident126 Ų12667.9 Ų67.955%0.54838%0.379SS..Hα-helixtrans-64.7-43.3172.9-77.6173.3178.2-173.40111.8M406 A407 S408 I413 S414 L564M406-K410 WeakPolarHBondContact O-CB 3.39Å; M406-K410 VanDerWaalsContact O-CG 3.24Å; M406-K410 WeakPolarHBondContact O-CG 3.02Å; M406-K410 PolarHBondContact O-N 3.23Å; A407-K410 PolarHBondContact O-N 3.4Å; S408-K410 PolarHBondContact O-N 3.24Å; K410-I413 PolarHBondContact O-N 3.45Å; K410-S414 WeakPolarHBondContact O-CB 3.27Å; K410-S414 PolarHBondContact O-N 3.02Å; K410-L564 HydrophobicContact CG-CD1 4.24Å; K410-L564 HydrophobicContact CG-CD2 4.23Å
411K87.6Confident79.2Confident155 Ų15570.1 Ų70.167%0.67438%0.38SS*.Hα-helixtrans-61.2-49.8178.6-170.7-177.8178.6-172.60110.9A407 S408 S414 Q415A407-K411 PolarHBondContact O-N 3.29Å; S408-K411 PolarHBondContact O-N 2.99Å; K411-S414 WeakPolarHBondContact O-CB 3.06Å; K411-S414 PolarHBondContact O-N 3.16Å; K411-S414 VanDerWaalsContact O-N 3.16Å; K411-Q415 WeakPolarHBondContact O-CB 3.47Å; K411-Q415 PolarHBondContact O-N 3.26Å
412T84.6Confident77.9Confident20 Ų2071.6 Ų71.612%0.12339%0.385CS..Hα-helixtrans-63.2-42.8177.246.80000112.7V221 S408 L409 S414 Q415 I416V221-T412 HydrophobicContact CG2-CG2 4.15Å; S408-T412 PolarHBondContact O-N 2.89Å; S408-T412 PolarHBondContact O-OG1 3.07Å; L409-T412 WeakPolarHBondContact CA-OG1 3.25Å; L409-T412 PolarHBondContact O-OG1 3.16Å; L409-T412 VanDerWaalsContact O-OG1 3.09Å; T412-S414 VanDerWaalsContact C-N 3.26Å; T412-S414 PolarHBondContact O-N 3.31Å; T412-Q415 PolarHBondContact O-N 3.33Å; T412-I416 WeakPolarHBondContact O-CB 3.2Å; T412-I416 WeakPolarHBondContact O-CD1 3.43Å; T412-I416 VanDerWaalsContact O-CG1 3.26Å; T412-I416 WeakPolarHBondContact O-CG1 3.35Å; T412-I416 PolarHBondContact O-N 2.94Å
413I83.8Confident76.7Confident11 Ų1177.8 Ų77.86%0.05641%0.414CS..Hα-helixtrans-62.7-32.1173.8-71.8172.6000112.3L219 L409 K410 K417 L564 K567 A568 I571L219-I413 HydrophobicContact CD1-CG1 4.01Å; L409-I413 HydrophobicContact CD1-CD1 4.19Å; L409-I413 HydrophobicContact CD1-CG1 4.46Å; L409-I413 HydrophobicContact CD2-CD1 4.45Å; L409-I413 HydrophobicContact CG-CD1 3.87Å; L409-I413 HydrophobicContact CG-CG1 4.49Å; L409-I413 VanDerWaalsContact O-CB 3.31Å; L409-I413 WeakPolarHBondContact O-CB 3.33Å; L409-I413 WeakPolarHBondContact O-CG1 3.47Å; L409-I413 PolarHBondContact O-N 3.02Å; K410-I413 PolarHBondContact O-N 3.45Å; I413-K417 PolarHBondContact O-N 3.27Å; I413-L564 HydrophobicContact CD1-CD2 4.26Å; I413-K567 HydrophobicContact CG2-CD 3.88Å; I413-A568 HydrophobicContact CD1-CB 4.25Å; I413-I571 HydrophobicContact CG1-CD1 4.15Å; I413-I571 HydrophobicContact CG2-CD1 4.12Å
414S84.9Confident75.2Confident79 Ų7975.9 Ų75.955%0.55242%0.416SS*.Hα-helixtrans-75.2-43.4175.9-161.20000111.8K410 K411 T412 K417 S418K410-S414 WeakPolarHBondContact O-CB 3.27Å; K410-S414 PolarHBondContact O-N 3.02Å; K411-S414 WeakPolarHBondContact O-CB 3.06Å; K411-S414 PolarHBondContact O-N 3.16Å; K411-S414 VanDerWaalsContact O-N 3.16Å; T412-S414 VanDerWaalsContact C-N 3.26Å; T412-S414 PolarHBondContact O-N 3.31Å; S414-K417 WeakPolarHBondContact O-CB 3.47Å; S414-K417 PolarHBondContact O-N 2.97Å; S414-K417 VanDerWaalsContact O-N 3.16Å; S414-S418 PolarHBondContact O-N 3.32Å; S414-S418 VanDerWaalsContact O-N 3.16Å; S414-S418 PolarHBondContact O-OG 3.19Å
415Q85.2Confident73.2Confident71 Ų7179.8 Ų79.833%0.33243%0.428SS..Hα-helixtrans-62.1-45.8178.5175.7174.3-14.600111.4K411 T412 K417 S418 E419K411-Q415 WeakPolarHBondContact O-CB 3.47Å; K411-Q415 PolarHBondContact O-N 3.26Å; T412-Q415 PolarHBondContact O-N 3.33Å; Q415-K417 PolarHBondContact O-N 2.9Å; Q415-S418 WeakPolarHBondContact CA-OG 3.41Å; Q415-S418 PolarHBondContact O-N 3.36Å; Q415-S418 VanDerWaalsContact O-N 3.14Å; Q415-S418 PolarHBondContact O-OG 2.98Å; Q415-E419 HydrophobicContact CG-CG 4.33Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.43Å; Q415-E419 PolarHBondContact NE2-OE1 3.32Å; Q415-E419 WeakPolarHBondContact O-CG 2.92Å; Q415-E419 PolarHBondContact O-N 2.83Å
416I82Confident71.3Confident37 Ų3781.7 Ų81.719%0.1945%0.454CS..Hα-helixtrans-60.7-31.8176-67.4164.8000111.3L219 T412 S420 I571L219-I416 HydrophobicContact CD1-CD1 4.14Å; T412-I416 WeakPolarHBondContact O-CB 3.2Å; T412-I416 WeakPolarHBondContact O-CD1 3.43Å; T412-I416 VanDerWaalsContact O-CG1 3.26Å; T412-I416 WeakPolarHBondContact O-CG1 3.35Å; T412-I416 PolarHBondContact O-N 2.94Å; I416-S420 WeakPolarHBondContact O-CB 3.42Å; I416-S420 PolarHBondContact O-N 3.02Å; I416-S420 PolarHBondContact O-OG 3.2Å; I416-S420 VanDerWaalsContact O-OG 3.08Å; I416-I571 HydrophobicContact CD1-CG2 4.02Å; I416-I571 HydrophobicContact CG2-CG2 3.99Å
417K78.8Confident69.1Low104 Ų10483.7 Ų83.745%0.45248%0.48SS..Hα-helixtrans-66.2-49.5174.6-174.9-175172-73.10111I413 S414 Q415 S420 E421I413-K417 PolarHBondContact O-N 3.27Å; S414-K417 WeakPolarHBondContact O-CB 3.47Å; S414-K417 PolarHBondContact O-N 2.97Å; S414-K417 VanDerWaalsContact O-N 3.16Å; Q415-K417 PolarHBondContact O-N 2.9Å; K417-S420 WeakPolarHBondContact CA-OG 3.43Å; K417-S420 PolarHBondContact O-N 3.1Å; K417-S420 PolarHBondContact O-OG 3.2Å; K417-E421 WeakPolarHBondContact CE-OE1 3.39Å; K417-E421 IonicContact NZ-OE1 2.52Å; K417-E421 PolarHBondContact NZ-OE1 3.48Å; K417-E421 IonicContact NZ-OE2 2.7Å; K417-E421 PolarHBondContact NZ-OE2 3.49Å; K417-E421 WeakPolarHBondContact O-CG 3.02Å; K417-E421 PolarHBondContact O-N 3.44Å; K417-E421 VanDerWaalsContact O-N 3.09Å
418S74.4Confident66.6Low51 Ų5187.5 Ų87.536%0.35750%0.497SS..Hα-helixtrans-64.7-37.3177.141.70000112.9S414 Q415 E421 M422S414-S418 PolarHBondContact O-N 3.32Å; S414-S418 VanDerWaalsContact O-N 3.16Å; S414-S418 PolarHBondContact O-OG 3.19Å; Q415-S418 WeakPolarHBondContact CA-OG 3.41Å; Q415-S418 PolarHBondContact O-N 3.36Å; Q415-S418 VanDerWaalsContact O-N 3.14Å; Q415-S418 PolarHBondContact O-OG 2.98Å; S418-E421 PolarHBondContact O-N 2.87Å; S418-M422 WeakPolarHBondContact O-CG 3.08Å; S418-M422 PolarHBondContact O-N 3.31Å
419E69.3Low64.7Low69 Ų6989.7 Ų89.732%0.32251%0.509SS..Hα-helixtrans-60.8-46.3173.3-72166.3178.100110.5Q415 E421 M422 E423Q415-E419 HydrophobicContact CG-CG 4.33Å; Q415-E419 WeakPolarHBondContact CG-OE1 3.43Å; Q415-E419 PolarHBondContact NE2-OE1 3.32Å; Q415-E419 WeakPolarHBondContact O-CG 2.92Å; Q415-E419 PolarHBondContact O-N 2.83Å; E419-E421 PolarHBondContact O-N 2.88Å; E419-M422 PolarHBondContact O-N 3.06Å; E419-E423 PolarHBondContact O-N 3.27Å
420S62.3Low62.4Low68 Ų6898.9 Ų98.948%0.47655%0.552SS.*Hα-helixtrans-68.8-13.6176.664.40000115.3I416 K417 T424I416-S420 WeakPolarHBondContact O-CB 3.42Å; I416-S420 PolarHBondContact O-N 3.02Å; I416-S420 PolarHBondContact O-OG 3.2Å; I416-S420 VanDerWaalsContact O-OG 3.08Å; K417-S420 WeakPolarHBondContact CA-OG 3.43Å; K417-S420 PolarHBondContact O-N 3.1Å; K417-S420 PolarHBondContact O-OG 3.2Å; S420-T424 PolarHBondContact O-OG1 2.86Å
421E58.2Low59.9Low102 Ų102102.4 Ų102.448%0.47757%0.567SS.*Hα-helixtrans-93-24.2174.5-72.6170.7149.800111.4K417 S418 E419 T424K417-E421 WeakPolarHBondContact CE-OE1 3.39Å; K417-E421 IonicContact NZ-OE1 2.52Å; K417-E421 PolarHBondContact NZ-OE1 3.48Å; K417-E421 IonicContact NZ-OE2 2.7Å; K417-E421 PolarHBondContact NZ-OE2 3.49Å; K417-E421 WeakPolarHBondContact O-CG 3.02Å; K417-E421 PolarHBondContact O-N 3.44Å; K417-E421 VanDerWaalsContact O-N 3.09Å; S418-E421 PolarHBondContact O-N 2.87Å; E419-E421 PolarHBondContact O-N 2.88Å; E421-T424 PolarHBondContact O-OG1 2.95Å
422M52.4Low57.1Low145 Ų145102.1 Ų102.171%0.71458%0.579SS**Hα-helixtrans-82.1-38.4172.4-70.7175.4174.200112.7S418 E419 T424 D425S418-M422 WeakPolarHBondContact O-CG 3.08Å; S418-M422 PolarHBondContact O-N 3.31Å; E419-M422 PolarHBondContact O-N 3.06Å; M422-T424 PolarHBondContact O-N 3.48Å; M422-T424 VanDerWaalsContact O-N 3.15Å; M422-D425 PolarHBondContact O-N 3.27Å
423E52.6Low54.4Low183 Ų183104.6 Ų104.686%0.85561%0.609SS**THydrogen-bonded Turntrans-70-6.9177.2-65.5-154.3159.100113.9E419E419-E423 PolarHBondContact O-N 3.27Å
424T50.7Low51.9Low115 Ų115113.2 Ų113.271%0.70665%0.651SS**THydrogen-bonded Turntrans-92.2-11.7169.444.70000114.2S420 E421 M422 G426S420-T424 PolarHBondContact O-OG1 2.86Å; E421-T424 PolarHBondContact O-OG1 2.95Å; M422-T424 PolarHBondContact O-N 3.48Å; M422-T424 VanDerWaalsContact O-N 3.15Å; T424-G426 PolarHBondContact O-N 2.94Å
425D40Very low49.3Very low143 Ų143118.2 Ų118.277%0.76566%0.663SS**  trans-96.165.5-179.4-166.214.8000111.2M422M422-D425 PolarHBondContact O-N 3.27Å
426G38.8Very low46.5Very low80 Ų80122.9 Ų122.983%0.82569%0.69SS**  trans-122.832.7-176.400000113.6T424T424-G426 PolarHBondContact O-N 2.94Å
427G33.1Very low43.9Very low61 Ų61130 Ų13063%0.62972%0.722SS**SBendtrans-159.779.4-169.400000116.4
428V31.8Very low41.7Very low137 Ų137134.7 Ų134.783%0.8374%0.743SS**  trans57.3118.7159.3-172.90000117.9
429P42.8Very low39.3Very low120 Ų120139.2 Ų139.278%0.77977%0.768SS**  trans-87.5141.6176.934.7-33.9000113.6
430Q32Very low37.4Very low200 Ų200140 Ų14094%0.93579%0.787SS**  trans-133.8148.3154.1-110.3-175-1.200111.1
431K33.6Very low35.5Very low199 Ų199144.6 Ų144.687%0.86581%0.806SS**  trans-100132.6-167.4-60174.3-178172.10112.1
432T28.2Very low34.1Very low150 Ų150144.4 Ų144.492%0.9282%0.816SS**  -169.1151.611939.30000109.8
433G28Very low32.8Very low72 Ų72146.6 Ų146.674%0.74282%0.824SS**  cis157.426.9-4.600000116.9
434M30.3Very low31.5Very low192 Ų192146.7 Ų146.795%0.94683%0.825SS**  trans-124.9139.1174.4-66.7-162.477.600112.4
435K31.1Very low30.3Very low184 Ų184146.9 Ų146.980%0.883%0.829SS**  trans-84.4158.4176.9-56.9176.8-178.7179.90110.2
436N26.5Very low29.5Very low168 Ų168145.6 Ų145.690%0.89883%0.829SS**  -157.2140.1120.9-99.9-18.3000110.2
437E28.3Very low29Very low186 Ų186147.9 Ų147.987%0.86983%0.827SS**  trans-91.1172178-67.6-173.4105.400111.3
438K32.5Very low29.1Very low204 Ų204154.1 Ų154.189%0.88784%0.84SS**  trans-83.2138-178.5-55.5167.9-174166.40110.7
439T23.4Very low29Very low145 Ų145155.6 Ų155.689%0.8984%0.837SS**  trans-133.3146.5139.7-42.50000108
440A28.2Very low28.7Very low86 Ų86159 Ų15971%0.71184%0.84SS**  trans-112.3131.9172.300000109.1
441N23Very low28.6Very low165 Ų165155.6 Ų155.688%0.88283%0.832SS**  trans-156169.2139.4-118.4-7.5000111.1
442S29.6Very low28.8Very low98 Ų98152.7 Ų152.769%0.68583%0.827SS**  trans-73.6138-177.749.90000113.2
443E25.3Very low29.6Very low190 Ų190149.5 Ų149.589%0.88882%0.816SS**  trans-158.2-176.5133.3-113.5154.3-142.200110.6
444E24.8Very low30.8Very low186 Ų186150.8 Ų150.887%0.86981%0.809SS**PPolyproline II helixtrans-73.4162.1-142.5-56.8-172.9122.400117.5P446E444-P446 WeakPolarHBondContact O-CD 3.49Å
445C24.9Very low32.2Very low118 Ų118142.9 Ų142.980%0.79778%0.777SS**PPolyproline II helixtrans-89125.9177.6-67.40000112.5
446P24.3Very low34Very low117 Ų117136.4 Ų136.476%0.7675%0.754SS**PPolyproline II helixtrans-73.5122.6149.1-8.425.8000108.4E444 Q448E444-P446 WeakPolarHBondContact O-CD 3.49Å; P446-Q448 PolarHBondContact O-N 3.26Å
447T28Very low36Very low128 Ų128135.6 Ų135.679%0.78574%0.744SS**  trans-66.699.7174.243.80000110.6E449T447-E449 PolarHBondContact O-N 3.2Å
448Q35.3Very low38.5Very low192 Ų192131.8 Ų131.890%0.89773%0.725SS**  trans-6699.6163.5-73.2-170.4-10.800108.6P446P446-Q448 PolarHBondContact O-N 3.26Å
449E29.7Very low40.8Very low167 Ų167125.5 Ų125.578%0.7870%0.704SS**  trans-54.5145.5171.3-65.3-165.1117.800110.1T447 V451T447-E449 PolarHBondContact O-N 3.2Å; E449-V451 PolarHBondContact O-N 3.33Å
450K35.5Very low43.4Very low193 Ų193122.1 Ų122.184%0.83969%0.686SS**  trans-71.187.9166.4-73.9173.9-177.8162.70108N452K450-N452 PolarHBondContact O-N 3.13Å
451V30.9Very low45.9Very low127 Ų127118.7 Ų118.777%0.7766%0.659SS**  trans-50.8108.6160.9-176.40000106E449 A453E449-V451 PolarHBondContact O-N 3.33Å; V451-A453 PolarHBondContact O-N 3.05Å
452N36.2Very low48.9Very low139 Ų139111 Ų11174%0.74362%0.618SS**  trans-56.7131.6179.8-73.1-64.4000107.2K450 T454K450-N452 PolarHBondContact O-N 3.13Å; N452-T454 PolarHBondContact O-N 3.47Å; N452-T454 PolarHBondContact O-OG1 3.24Å
453A45.4Very low51.5Low83 Ų83106.4 Ų106.469%0.68659%0.586SS**  trans-66.888.8-177.500000109.6V451 G455 R547V451-A453 PolarHBondContact O-N 3.05Å; A453-G455 PolarHBondContact O-N 2.81Å; A453-R547 PolarHBondContact O-NH2 2.92Å
454T54.5Low54.4Low99 Ų9997.3 Ų97.361%0.60754%0.543SS*.PPolyproline II helixtrans-49136.7-175.9-49.30000108.9N452 Q457N452-T454 PolarHBondContact O-N 3.47Å; N452-T454 PolarHBondContact O-OG1 3.24Å; T454-Q457 HydrophobicContact CG2-CG 4.49Å
455G59.4Low57.2Low26 Ų2690.1 Ų90.127%0.26851%0.509SS..PPolyproline II helixtrans-55.7147.4171.800000109.4A453 Q457A453-G455 PolarHBondContact O-N 2.81Å; G455-Q457 PolarHBondContact O-N 2.62Å
456P67.4Low60.1Low48 Ų4884.5 Ų84.531%0.31247%0.471SS..PPolyproline II helixtrans-57.9118.8173.428.9-35000107.3W540P456-W540 HydrophobicContact CB-CH2 4.36Å; P456-W540 HydrophobicContact CB-CZ3 3.85Å; P456-W540 HydrophobicContact CG-CZ3 3.99Å; P456-W540 WeakPolarHBondContact O-CZ3 3.4Å
457Q70.2Confident62.9Low151 Ų15180.9 Ų80.971%0.70645%0.445SS*.PPolyproline II helixtrans-68150.6-174.3-70.2171.4-28.300109.7T454 G455 V459 W540T454-Q457 HydrophobicContact CG2-CG 4.49Å; G455-Q457 PolarHBondContact O-N 2.62Å; Q457-V459 PolarHBondContact O-N 3.28Å; Q457-W540 VanDerWaalsContact O-CH2 3.22Å; Q457-W540 WeakPolarHBondContact O-CH2 3.28Å
458F80.1Confident65.4Low106 Ų10675.3 Ų75.347%0.46541%0.411SS..PPolyproline II helixtrans-63.9121.5174.8176.5-89.6000109.1Q537 W540F458-Q537 HydrophobicContact CD2-CG 4.46Å; F458-Q537 HydrophobicContact CE2-CB 4.42Å; F458-Q537 HydrophobicContact CE2-CG 3.64Å; F458-Q537 HydrophobicContact CZ-CG 3.94Å; F458-W540 HydrophobicContact CD2-CB 4.13Å; F458-W540 AromaticContact CD2-CD1 3.26Å; F458-W540 HydrophobicContact CD2-CD2 4.34Å; F458-W540 AromaticContact CD2-CG 3.68Å; F458-W540 HydrophobicContact CD2-CG 3.68Å; F458-W540 AromaticContact CD2-NE1 3.67Å; F458-W540 AromaticContact CE2-CD1 3.42Å; F458-W540 VanDerWaalsContact CE2-CD1 3.42Å; F458-W540 HydrophobicContact CE2-CG 4.23Å; F458-W540 AromaticContact CE2-NE1 3.88Å
459V80.5Confident67.2Low72 Ų7271.7 Ų71.744%0.43640%0.403SS..  trans-129.7130.9168.8-172.20000106.2Q457 V462 W540Q457-V459 PolarHBondContact O-N 3.28Å; V459-V462 HydrophobicContact CB-CG2 3.85Å; V459-V462 HydrophobicContact CG1-CG2 3.57Å; V459-W540 PolarHBondContact O-NE1 2.82Å
460S79.1Confident69.2Low73 Ų7370.6 Ų70.651%0.5140%0.397SS..THydrogen-bonded Turntrans-86.5145-172.752.80000113.2E536S460-E536 VanDerWaalsContact CA-OE2 3.24Å; S460-E536 WeakPolarHBondContact CA-OE2 3.31Å
461G80.4Confident71.1Confident15 Ų1565.7 Ų65.716%0.15539%0.385CS..THydrogen-bonded Turntrans75.119.2-17900000114.3A510 E536G461-A510 WeakPolarHBondContact O-CB 3.39Å; G461-E536 PolarHBondContact N-OE1 3.11Å; G461-E536 PolarHBondContact N-OE2 3.32Å
462V84.3Confident73.1Confident4 Ų460.2 Ų60.22%0.02435%0.352CS..  trans-104.4-4.6-172.5-171.40000112.3V459 R503 F504 P507 E536V459-V462 HydrophobicContact CB-CG2 3.85Å; V459-V462 HydrophobicContact CG1-CG2 3.57Å; V462-R503 HydrophobicContact CG1-CG 4.16Å; V462-R503 WeakPolarHBondContact O-CA 3.45Å; V462-F504 HydrophobicContact CG1-CB 4.32Å; V462-F504 WeakPolarHBondContact CG1-O 3.31Å; V462-F504 PolarHBondContact O-N 2.97Å; V462-P507 HydrophobicContact CG2-CB 4.3Å; V462-E536 PolarHBondContact N-OE1 3.35Å
463I84.6Confident74.7Confident0 Ų055.8 Ų55.80%033%0.331CS..EExtended strand (participates in β ladder)trans-112.3124.5178.3-63.3140.1000110.3H501 A502 R503 L531 E536 Y539 W540I463-H501 HydrophobicContact CG2-CB 4.49Å; I463-A502 CarbonylContact C-O 3.58Å; I463-A502 WeakPolarHBondContact CA-O 3.14Å; I463-R503 HydrophobicContact CG1-CB 4.27Å; I463-R503 HydrophobicContact CG1-CG 3.97Å; I463-L531 HydrophobicContact CB-CB 4.41Å; I463-L531 HydrophobicContact CG2-CB 4.32Å; I463-L531 HydrophobicContact CG2-CD1 3.9Å; I463-L531 HydrophobicContact CG2-CG 4.19Å; I463-L531 PolarHBondContact O-N 3.49Å; I463-E536 HydrophobicContact CB-CG 4.38Å; I463-E536 HydrophobicContact CD1-CG 3.52Å; I463-Y539 HydrophobicContact CD1-CD1 3.64Å; I463-Y539 HydrophobicContact CD1-CE1 4.2Å; I463-Y539 HydrophobicContact CG1-CD1 4.02Å; I463-Y539 HydrophobicContact CG1-CE1 4.13Å; I463-Y539 HydrophobicContact CG2-CD1 3.85Å; I463-Y539 HydrophobicContact CG2-CE1 3.88Å; I463-W540 HydrophobicContact CD1-CD2 4.28Å; I463-W540 HydrophobicContact CD1-CG 4.2Å; I463-W540 HydrophobicContact CD1-CZ2 4.39Å; I463-W540 VanDerWaalsContact CD1-NE1 3.27Å
464V85.9Confident76.2Confident0 Ų054 Ų540%032%0.32CS..EExtended strand (participates in β ladder)trans-106122.5170.9-175.60000108.7I466 A502 F504 A510 I514 L528 E529 I530V464-I466 HydrophobicContact CG1-CG1 4.28Å; V464-A502 PolarHBondContact N-O 3.13Å; V464-A502 PolarHBondContact O-N 2.92Å; V464-F504 HydrophobicContact CB-CE2 3.97Å; V464-F504 HydrophobicContact CG2-CD2 3.99Å; V464-F504 HydrophobicContact CG2-CE2 3.58Å; V464-A510 HydrophobicContact CG2-CB 3.79Å; V464-I514 HydrophobicContact CG1-CD1 4.27Å; V464-I514 HydrophobicContact CG1-CG1 4.43Å; V464-L528 HydrophobicContact CG1-CB 3.98Å; V464-L528 HydrophobicContact CG1-CD2 4.09Å; V464-L528 HydrophobicContact CG1-CG 4.37Å; V464-E529 CarbonylContact C-O 3.52Å; V464-E529 WeakPolarHBondContact CA-O 3.48Å; V464-I530 HydrophobicContact CG2-CG1 4.05Å
465K85.4Confident77.3Confident35 Ų3554.9 Ų54.915%0.15231%0.312CS..EExtended strand (participates in β ladder)trans-79.7136.7165-174.2-176.2-178.1-164.90108.5I467 E499 C500 L528 E529 L531K465-I467 HydrophobicContact CD-CD1 4.11Å; K465-I467 HydrophobicContact CD-CG1 4.17Å; K465-I467 HydrophobicContact CG-CG1 4.2Å; K465-E499 VanDerWaalsContact CE-OE1 3.24Å; K465-E499 WeakPolarHBondContact CE-OE1 3.47Å; K465-E499 WeakPolarHBondContact CE-OE2 3.43Å; K465-E499 IonicContact NZ-OE1 3.81Å; K465-E499 PolarHBondContact NZ-OE1 3.46Å; K465-E499 IonicContact NZ-OE2 4Å; K465-E499 PolarHBondContact NZ-OE2 3.31Å; K465-C500 WeakPolarHBondContact CA-O 3.2Å; K465-L528 WeakPolarHBondContact O-CA 3.4Å; K465-E529 HydrophobicContact CB-CB 4.49Å; K465-E529 PolarHBondContact N-O 2.8Å; K465-E529 PolarHBondContact O-N 2.89Å; K465-L531 HydrophobicContact CB-CD2 3.98Å; K465-L531 HydrophobicContact CB-CG 4.14Å; K465-L531 HydrophobicContact CD-CD2 4.42Å
466I84.8Confident78.2Confident0 Ų061.5 Ų61.50%033%0.334CS..EExtended strand (participates in β ladder)trans-122.9126.9177.2-49.4-172.8000107.8V464 L482 E499 C500 A502 W526 K527 L528V464-I466 HydrophobicContact CG1-CG1 4.28Å; I466-L482 HydrophobicContact CD1-CD1 3.66Å; I466-L482 HydrophobicContact CD1-CD2 4.12Å; I466-L482 HydrophobicContact CD1-CG 4.43Å; I466-E499 CarbonylContact O-C 3.14Å; I466-E499 VanDerWaalsContact O-CA 3.31Å; I466-E499 WeakPolarHBondContact O-CA 3.43Å; I466-C500 PolarHBondContact N-O 2.74Å; I466-C500 PolarHBondContact O-N 3.38Å; I466-A502 HydrophobicContact CD1-CB 4.43Å; I466-W526 HydrophobicContact CG2-CB 3.81Å; I466-W526 HydrophobicContact CG2-CD2 4.19Å; I466-W526 HydrophobicContact CG2-CE3 4.23Å; I466-W526 HydrophobicContact CG2-CG 4.01Å; I466-K527 CarbonylContact C-O 3.52Å; I466-K527 VanDerWaalsContact CA-O 3.3Å; I466-K527 WeakPolarHBondContact CA-O 3.33Å; I466-L528 HydrophobicContact CD1-CD2 3.91Å; I466-L528 HydrophobicContact CD1-CG 4.29Å; I466-L528 HydrophobicContact CG1-CD2 4.07Å; I466-L528 HydrophobicContact CG1-CG 4Å; I466-L528 HydrophobicContact CG2-CD1 4.39Å; I466-L528 HydrophobicContact CG2-CG 4.17Å
467I83.3Confident78.8Confident40 Ų4064.8 Ų64.821%0.20535%0.345CS..EExtended strand (participates in β ladder)trans-121.2132.4-179-52.2175000108.3K465 E499 K527K465-I467 HydrophobicContact CD-CD1 4.11Å; K465-I467 HydrophobicContact CD-CG1 4.17Å; K465-I467 HydrophobicContact CG-CG1 4.2Å; I467-E499 HydrophobicContact CG1-CG 4.3Å; I467-E499 HydrophobicContact CG2-CG 4.42Å; I467-K527 HydrophobicContact CB-CB 4.38Å; I467-K527 PolarHBondContact N-O 2.66Å; I467-K527 PolarHBondContact O-N 2.82Å
468S80Confident79.3Confident12 Ų1257.6 Ų57.68%0.08431%0.311CS..  trans-124.9148.8-179.3179.60000111E470 T498S468-E470 WeakPolarHBondContact CB-O 3.48Å; S468-E470 PolarHBondContact OG-N 3.48Å; S468-E470 PolarHBondContact OG-O 3.08Å; S468-T498 PolarHBondContact N-O 3.01Å
469T73.6Confident79.4Confident116 Ų11658 Ų5871%0.71231%0.309SS*.SBendtrans-77.6-24.317348.60000112.6
470E72.4Confident79.5Confident143 Ų14359.1 Ų59.167%0.66831%0.313SS*.SBendtrans-110.6153.4173.3-70.7-176.1-174.200110.3S468 L472S468-E470 WeakPolarHBondContact CB-O 3.48Å; S468-E470 PolarHBondContact OG-N 3.48Å; S468-E470 PolarHBondContact OG-O 3.08Å; E470-L472 PolarHBondContact O-N 3.34Å
471P74.6Confident79.7Confident91 Ų9158.2 Ų58.259%0.59131%0.305SS*.PPolyproline II helixtrans-56.9131.9179.124.1-34.8000111.3
472L72.4Confident79.8Confident12 Ų1257.5 Ų57.56%0.06330%0.297CS..PPolyproline II helixtrans-67139.2-169.8-77.2166.5000112.1E470 L493 D497 C500 W526E470-L472 PolarHBondContact O-N 3.34Å; L472-L493 HydrophobicContact CB-CD1 3.78Å; L472-L493 HydrophobicContact CB-CD2 4.22Å; L472-L493 HydrophobicContact CD1-CD1 3.84Å; L472-L493 HydrophobicContact CG-CD1 4.46Å; L472-D497 PolarHBondContact N-O 3.42Å; L472-D497 VanDerWaalsContact N-O 3.1Å; L472-C500 HydrophobicContact CD1-CB 3.65Å; L472-W526 HydrophobicContact CD2-CD2 4.3Å; L472-W526 HydrophobicContact CD2-CG 4.36Å; L472-W526 HydrophobicContact CD2-CZ2 4.36Å
473P70.9Confident79.8Confident46 Ų4659.8 Ų59.830%0.29932%0.316SS..PPolyproline II helixtrans-62.4143179.224.6-31.8000111R475 Q477 V478 W526P473-R475 PolarHBondContact O-N 2.79Å; P473-Q477 HydrophobicContact CB-CB 4.09Å; P473-Q477 HydrophobicContact CG-CB 4.48Å; P473-V478 HydrophobicContact CG-CG2 4.05Å; P473-V478 WeakPolarHBondContact O-CG2 3.38Å; P473-W526 HydrophobicContact CG-CZ2 3.79Å
474G75.9Confident79.8Confident45 Ų4563.9 Ų63.946%0.46435%0.351SS..THydrogen-bonded Turntrans-53.3136.2-165.300000113.6K476 Q477G474-K476 CarbonylContact O-C 3.59Å; G474-K476 PolarHBondContact O-N 2.85Å; G474-Q477 PolarHBondContact O-N 3.22Å
475R79.1Confident79.6Confident117 Ų11767.2 Ų67.244%0.44237%0.368SS..THydrogen-bonded Turntrans-27.7-31.6-166.5-169.6-178.4-175.8-140.21.2119.3P473 R479 V491 L493P473-R475 PolarHBondContact O-N 2.79Å; R475-R479 WeakPolarHBondContact O-CB 3.1Å; R475-R479 PolarHBondContact O-N 3Å; R475-V491 HydrophobicContact CG-CB 4.38Å; R475-V491 HydrophobicContact CG-CG1 4.49Å; R475-V491 PolarHBondContact NE-O 3.2Å; R475-V491 PolarHBondContact NH2-O 3.14Å; R475-L493 HydrophobicContact CB-CD2 4.27Å
476K78.2Confident79.4Confident165 Ų16566.2 Ų66.272%0.71737%0.365SS*.Hα-helixtrans-64.4-53.3171.1-67.1-176178.6-178.40111.8G474 V478 R479 D480G474-K476 CarbonylContact O-C 3.59Å; G474-K476 PolarHBondContact O-N 2.85Å; K476-V478 PolarHBondContact O-N 2.94Å; K476-R479 CarbonylContact O-C 3.52Å; K476-R479 WeakPolarHBondContact O-CA 3.28Å; K476-R479 WeakPolarHBondContact O-CB 3.28Å; K476-R479 PolarHBondContact O-N 2.62Å; K476-D480 WeakPolarHBondContact O-CB 3.28Å; K476-D480 PolarHBondContact O-N 3.25Å; K476-D480 VanDerWaalsContact O-OD2 3.13Å
477Q78.6Confident79.3Confident117 Ų11770.7 Ų70.755%0.54739%0.386SS..Hα-helixtrans-61-42.6-175.3-73.5167.7-55.200112.2P473 G474 R479 D480 T481P473-Q477 HydrophobicContact CB-CB 4.09Å; P473-Q477 HydrophobicContact CG-CB 4.48Å; G474-Q477 PolarHBondContact O-N 3.22Å; Q477-R479 VanDerWaalsContact C-N 3.33Å; Q477-R479 PolarHBondContact O-N 2.93Å; Q477-D480 PolarHBondContact O-N 3.22Å; Q477-T481 WeakPolarHBondContact O-CB 3.41Å; Q477-T481 WeakPolarHBondContact O-CG2 3.19Å; Q477-T481 PolarHBondContact O-N 2.77Å; Q477-T481 PolarHBondContact O-OG1 2.98Å
478V80.6Confident79.4Confident0 Ų068.8 Ų68.80%038%0.376CS..Hα-helixtrans-61.2-40171.61720000111.8P473 K476 T481 L482 V491 L493 W526P473-V478 HydrophobicContact CG-CG2 4.05Å; P473-V478 WeakPolarHBondContact O-CG2 3.38Å; K476-V478 PolarHBondContact O-N 2.94Å; V478-T481 WeakPolarHBondContact CA-OG1 3.41Å; V478-T481 PolarHBondContact O-OG1 2.89Å; V478-T481 VanDerWaalsContact O-OG1 3.09Å; V478-L482 HydrophobicContact CG1-CD1 3.89Å; V478-L482 WeakPolarHBondContact O-CB 3.46Å; V478-L482 WeakPolarHBondContact O-CD1 3.49Å; V478-L482 WeakPolarHBondContact O-CG 3.2Å; V478-L482 PolarHBondContact O-N 3.12Å; V478-V491 HydrophobicContact CG1-CG1 4Å; V478-L493 HydrophobicContact CG2-CD2 4.44Å; V478-W526 HydrophobicContact CG2-CH2 4.11Å; V478-W526 HydrophobicContact CG2-CZ2 4.26Å
479R83.4Confident79.5Confident114 Ų11471.9 Ų71.943%0.4339%0.391SS..Hα-helixtrans-66.3-45.2175.1-171.6-179.3-173.8-119.4-2.8111.8R475 K476 Q477 L482 A483 V488 V491R475-R479 WeakPolarHBondContact O-CB 3.1Å; R475-R479 PolarHBondContact O-N 3Å; K476-R479 CarbonylContact O-C 3.52Å; K476-R479 WeakPolarHBondContact O-CA 3.28Å; K476-R479 WeakPolarHBondContact O-CB 3.28Å; K476-R479 PolarHBondContact O-N 2.62Å; Q477-R479 VanDerWaalsContact C-N 3.33Å; Q477-R479 PolarHBondContact O-N 2.93Å; R479-L482 PolarHBondContact O-N 3.38Å; R479-A483 WeakPolarHBondContact O-CB 3.42Å; R479-A483 PolarHBondContact O-N 2.83Å; R479-V488 HydrophobicContact CG-CB 4.15Å; R479-V488 HydrophobicContact CG-CG1 4.17Å; R479-V488 PolarHBondContact NE-O 3.02Å; R479-V488 PolarHBondContact NH2-O 3.45Å; R479-V491 HydrophobicContact CB-CG2 3.96Å; R479-V491 HydrophobicContact CG-CG2 4.27Å
480D83Confident79.8Confident97 Ų9769.9 Ų69.952%0.51937%0.371SS..Hα-helixtrans-72.7-33.4-172-58.1-26.8000111.2K476 Q477 A484K476-D480 WeakPolarHBondContact O-CB 3.28Å; K476-D480 PolarHBondContact O-N 3.25Å; K476-D480 VanDerWaalsContact O-OD2 3.13Å; Q477-D480 PolarHBondContact O-N 3.22Å; D480-A484 PolarHBondContact O-N 3.18Å
481T81.4Confident80.3Confident53 Ų5363.2 Ų63.233%0.32534%0.34SS..Hα-helixtrans-69-40.6171.646.60000113Q477 V478Q477-T481 WeakPolarHBondContact O-CB 3.41Å; Q477-T481 WeakPolarHBondContact O-CG2 3.19Å; Q477-T481 PolarHBondContact O-N 2.77Å; Q477-T481 PolarHBondContact O-OG1 2.98Å; V478-T481 WeakPolarHBondContact CA-OG1 3.41Å; V478-T481 PolarHBondContact O-OG1 2.89Å; V478-T481 VanDerWaalsContact O-OG1 3.09Å
482L82.8Confident80.6Confident1 Ų160 Ų601%0.00532%0.318CS..Hα-helixtrans-73.8-34.4175.6-67.2170.9000112.2I466 V478 R479 A484 I485 S486 V488 A502 V513 L528I466-L482 HydrophobicContact CD1-CD1 3.66Å; I466-L482 HydrophobicContact CD1-CD2 4.12Å; I466-L482 HydrophobicContact CD1-CG 4.43Å; V478-L482 HydrophobicContact CG1-CD1 3.89Å; V478-L482 WeakPolarHBondContact O-CB 3.46Å; V478-L482 WeakPolarHBondContact O-CD1 3.49Å; V478-L482 WeakPolarHBondContact O-CG 3.2Å; V478-L482 PolarHBondContact O-N 3.12Å; R479-L482 PolarHBondContact O-N 3.38Å; L482-A484 PolarHBondContact O-N 3.02Å; L482-I485 PolarHBondContact O-N 3.4Å; L482-S486 PolarHBondContact O-N 3.07Å; L482-S486 VanDerWaalsContact O-N 3.1Å; L482-V488 HydrophobicContact CB-CG2 3.53Å; L482-A502 HydrophobicContact CD1-CB 3.85Å; L482-V513 HydrophobicContact CD2-CG1 3.84Å; L482-L528 HydrophobicContact CD2-CD2 4.34Å
483A85.1Confident81Confident51 Ų5160.2 Ų60.242%0.42132%0.319SS..THydrogen-bonded Turntrans-70.1-11.8177.100000113.9R479 I485 S486R479-A483 WeakPolarHBondContact O-CB 3.42Å; R479-A483 PolarHBondContact O-N 2.83Å; A483-I485 PolarHBondContact O-N 3.31Å; A483-S486 WeakPolarHBondContact CA-O 3.37Å
484A84.3Confident81Confident87 Ų8763.9 Ų63.972%0.71934%0.336SS*.THydrogen-bonded Turntrans-73.4-9.5166.500000113D480 L482D480-A484 PolarHBondContact O-N 3.18Å; L482-A484 PolarHBondContact O-N 3.02Å
485I82.1Confident80.7Confident70 Ų7071.7 Ų71.736%0.35936%0.36SS..THydrogen-bonded Turntrans-117.5-49.3-177.6-58163.8000111.3L482 A483 V513 A516 I520L482-I485 PolarHBondContact O-N 3.4Å; A483-I485 PolarHBondContact O-N 3.31Å; I485-V513 HydrophobicContact CB-CG2 4.01Å; I485-V513 HydrophobicContact CG2-CG2 3.71Å; I485-A516 HydrophobicContact CD1-CB 3.95Å; I485-A516 HydrophobicContact CG2-CB 4.16Å; I485-I520 HydrophobicContact CD1-CD1 3.78Å; I485-I520 HydrophobicContact CD1-CG1 3.99Å
486S81.9Confident80.1Confident13 Ų1368.7 Ų68.79%0.09137%0.365CS..SBendtrans-154.5167.4178.767.80000114.1L482 A483 V488 F504 D509 V513L482-S486 PolarHBondContact O-N 3.07Å; L482-S486 VanDerWaalsContact O-N 3.1Å; A483-S486 WeakPolarHBondContact CA-O 3.37Å; S486-V488 PolarHBondContact O-N 3.24Å; S486-F504 WeakPolarHBondContact OG-CD1 3.33Å; S486-F504 WeakPolarHBondContact OG-CE1 2.98Å; S486-D509 WeakPolarHBondContact CB-O 3.41Å; S486-D509 PolarHBondContact OG-O 3.4Å; S486-V513 VanDerWaalsContact OG-CG2 3.31Å; S486-V513 WeakPolarHBondContact OG-CG2 3.18Å
487E81.9Confident80Confident94 Ų9463.7 Ų63.744%0.43935%0.346SS..  trans-74.997.3-167.7-163.7-170.1160.700113.6L489 K505E487-L489 PolarHBondContact O-N 2.56Å; E487-K505 WeakPolarHBondContact OE2-CD 3.32Å; E487-K505 WeakPolarHBondContact OE2-CE 3.33Å; E487-K505 IonicContact OE2-NZ 3.67Å; E487-K505 PolarHBondContact OE2-NZ 3.46Å
488V84.6Confident80Confident1 Ų161.5 Ų61.51%0.00634%0.341CS..  trans-77.6106.8178.1-170.70000112.4R479 L482 S486 V491 F504R479-V488 HydrophobicContact CG-CB 4.15Å; R479-V488 HydrophobicContact CG-CG1 4.17Å; R479-V488 PolarHBondContact NE-O 3.02Å; R479-V488 PolarHBondContact NH2-O 3.45Å; L482-V488 HydrophobicContact CB-CG2 3.53Å; S486-V488 PolarHBondContact O-N 3.24Å; V488-V491 HydrophobicContact CG1-CG2 3.6Å; V488-F504 HydrophobicContact CG2-CD1 4.32Å; V488-F504 HydrophobicContact CG2-CE1 3.68Å; V488-F504 HydrophobicContact CG2-CZ 4.27Å
489L81.8Confident80.1Confident76 Ų7665.2 Ų65.240%0.39836%0.358SS..  trans-72.8-39.7176.1-64.2-171.8000113.1E487 R503 F504 K505E487-L489 PolarHBondContact O-N 2.56Å; L489-R503 PolarHBondContact N-O 3.32Å; L489-F504 WeakPolarHBondContact CD1-O 3.44Å; L489-K505 HydrophobicContact CD1-CB 4.08Å; L489-K505 HydrophobicContact CD1-CG 4.42Å; L489-K505 HydrophobicContact CD2-CB 4.41Å; L489-K505 HydrophobicContact CG-CB 4.1Å
490Y80.9Confident80.1Confident75 Ų7559.8 Ų59.829%0.29434%0.338SS..EExtended strand (participates in β ladder)trans-158.2130.3-177.6-174.8-90.2000111.9D492 R503Y490-D492 HydrophobicContact CD1-CB 4.37Å; Y490-D492 HydrophobicContact CE1-CB 3.66Å; Y490-D492 WeakPolarHBondContact CE1-OD1 3.12Å; Y490-D492 PolarHBondContact OH-OD1 2.91Å; Y490-R503 PolarHBondContact N-O 3.3Å; Y490-R503 PolarHBondContact O-N 2.92Å
491V82.8Confident80.2Confident2 Ų256.7 Ų56.71%0.01232%0.32CS..EExtended strand (participates in β ladder)trans-105.9130166.8-178.10000108.5R475 V478 R479 V488 L493R475-V491 HydrophobicContact CG-CB 4.38Å; R475-V491 HydrophobicContact CG-CG1 4.49Å; R475-V491 PolarHBondContact NE-O 3.2Å; R475-V491 PolarHBondContact NH2-O 3.14Å; V478-V491 HydrophobicContact CG1-CG1 4Å; R479-V491 HydrophobicContact CB-CG2 3.96Å; R479-V491 HydrophobicContact CG-CG2 4.27Å; V488-V491 HydrophobicContact CG1-CG2 3.6Å; V491-L493 HydrophobicContact CG1-CB 4.23Å
492D81.7Confident80.4Confident24 Ų2454.2 Ų54.213%0.12831%0.305CS..EExtended strand (participates in β ladder)trans-101.7112.7168.3-143.343.7000108.4Y490 C500 H501 Y539 K542Y490-D492 HydrophobicContact CD1-CB 4.37Å; Y490-D492 HydrophobicContact CE1-CB 3.66Å; Y490-D492 WeakPolarHBondContact CE1-OD1 3.12Å; Y490-D492 PolarHBondContact OH-OD1 2.91Å; D492-C500 WeakPolarHBondContact O-CA 3.46Å; D492-C500 VanDerWaalsContact O-CB 3.27Å; D492-C500 WeakPolarHBondContact O-CB 3.1Å; D492-H501 HydrophobicContact CB-CB 4.32Å; D492-H501 PolarHBondContact N-O 3.36Å; D492-H501 PolarHBondContact O-N 3.09Å; D492-Y539 WeakPolarHBondContact CB-OH 3.12Å; D492-K542 IonicContact OD2-NZ 3.2Å; D492-K542 PolarHBondContact OD2-NZ 3.21Å
493L79.5Confident80.5Confident16 Ų1656.1 Ų56.18%0.08431%0.312CS..  trans-152.4126.6-179.6176.471.1000106.8L472 R475 V478 V491 D497 C500L472-L493 HydrophobicContact CB-CD1 3.78Å; L472-L493 HydrophobicContact CB-CD2 4.22Å; L472-L493 HydrophobicContact CD1-CD1 3.84Å; L472-L493 HydrophobicContact CG-CD1 4.46Å; R475-L493 HydrophobicContact CB-CD2 4.27Å; V478-L493 HydrophobicContact CG2-CD2 4.44Å; V491-L493 HydrophobicContact CG1-CB 4.23Å; L493-D497 HydrophobicContact CD1-CB 3.84Å; L493-C500 HydrophobicContact CB-CB 3.91Å; L493-C500 HydrophobicContact CD1-CB 3.66Å; L493-C500 HydrophobicContact CG-CB 4.32Å
494L71.1Confident80.6Confident124 Ų12453.7 Ų53.765%0.64929%0.292SS*.  trans-93.1161.5166.1-49.9175.6000109.8G496 D497L494-G496 PolarHBondContact O-N 2.89Å; L494-D497 WeakPolarHBondContact CA-OD2 3.36Å; L494-D497 WeakPolarHBondContact CB-OD2 3.28Å; L494-D497 WeakPolarHBondContact CG-OD2 3.38Å; L494-D497 PolarHBondContact N-OD2 3.26Å; L494-D497 PolarHBondContact O-N 3.38Å
495E69.1Low80.5Confident209 Ų20955.4 Ų55.498%0.97728%0.283SS*.THydrogen-bonded Turntrans-75.598-172.5-168.3159.9-148.900110.4
496G66.5Low80.7Confident53 Ų5354.4 Ų54.455%0.54628%0.281SS..THydrogen-bonded Turntrans119.2-5.7-176.500000115.2L494L494-G496 PolarHBondContact O-N 2.89Å
497D77Confident80.7Confident60 Ų6056 Ų5632%0.32129%0.29SS..  trans-67.4141.4179.5-62.7-21.7000112.1L472 L493 L494 E499L472-D497 PolarHBondContact N-O 3.42Å; L472-D497 VanDerWaalsContact N-O 3.1Å; L493-D497 HydrophobicContact CD1-CB 3.84Å; L494-D497 WeakPolarHBondContact CA-OD2 3.36Å; L494-D497 WeakPolarHBondContact CB-OD2 3.28Å; L494-D497 WeakPolarHBondContact CG-OD2 3.38Å; L494-D497 PolarHBondContact N-OD2 3.26Å; L494-D497 PolarHBondContact O-N 3.38Å; D497-E499 WeakPolarHBondContact CB-O 3.1Å
498T78.8Confident80.9Confident71 Ų7158.3 Ų58.344%0.43630%0.301SS..SBendtrans-87.6-9.6167.850.60000113S468S468-T498 PolarHBondContact N-O 3.01Å
499E82.1Confident81Confident78 Ų7859.8 Ų59.836%0.36431%0.309SS..EExtended strand (participates in β ladder)trans-119.3140175.1-55.7-162.8152.100110.8K465 I466 I467 D497K465-E499 VanDerWaalsContact CE-OE1 3.24Å; K465-E499 WeakPolarHBondContact CE-OE1 3.47Å; K465-E499 WeakPolarHBondContact CE-OE2 3.43Å; K465-E499 IonicContact NZ-OE1 3.81Å; K465-E499 PolarHBondContact NZ-OE1 3.46Å; K465-E499 IonicContact NZ-OE2 4Å; K465-E499 PolarHBondContact NZ-OE2 3.31Å; I466-E499 CarbonylContact O-C 3.14Å; I466-E499 VanDerWaalsContact O-CA 3.31Å; I466-E499 WeakPolarHBondContact O-CA 3.43Å; I467-E499 HydrophobicContact CG1-CG 4.3Å; I467-E499 HydrophobicContact CG2-CG 4.42Å; D497-E499 WeakPolarHBondContact CB-O 3.1Å
500C83.1Confident81Confident0 Ų056.2 Ų56.20%029%0.29CS..EExtended strand (participates in β ladder)trans-137.4163.7168.286.40000112K465 I466 L472 D492 L493K465-C500 WeakPolarHBondContact CA-O 3.2Å; I466-C500 PolarHBondContact N-O 2.74Å; I466-C500 PolarHBondContact O-N 3.38Å; L472-C500 HydrophobicContact CD1-CB 3.65Å; D492-C500 WeakPolarHBondContact O-CA 3.46Å; D492-C500 VanDerWaalsContact O-CB 3.27Å; D492-C500 WeakPolarHBondContact O-CB 3.1Å; L493-C500 HydrophobicContact CB-CB 3.91Å; L493-C500 HydrophobicContact CD1-CB 3.66Å; L493-C500 HydrophobicContact CG-CB 4.32Å
501H86.7Confident81.2Confident33 Ų3357.5 Ų57.515%0.15330%0.299CS..EExtended strand (participates in β ladder)trans-127.5110.1-177.7-67.874000109.8I463 D492 Y539I463-H501 HydrophobicContact CG2-CB 4.49Å; D492-H501 HydrophobicContact CB-CB 4.32Å; D492-H501 PolarHBondContact N-O 3.36Å; D492-H501 PolarHBondContact O-N 3.09Å; H501-Y539 HydrophobicContact CB-CD2 4.48Å; H501-Y539 HydrophobicContact CB-CE1 4.09Å; H501-Y539 HydrophobicContact CB-CE2 3.63Å; H501-Y539 VanDerWaalsContact CB-OH 3.27Å; H501-Y539 WeakPolarHBondContact CB-OH 3.4Å; H501-Y539 AromaticContact CD2-CD2 3.81Å; H501-Y539 AromaticContact CD2-CE2 3.78Å; H501-Y539 AromaticContact CG-CE2 3.6Å; H501-Y539 AromaticContact CG-CZ 3.92Å
502A85.3Confident81.2Confident0 Ų059.3 Ų59.30%031%0.314CS..EExtended strand (participates in β ladder)trans-95.8129.1177.100000110.3I463 V464 I466 L482 F504I463-A502 CarbonylContact C-O 3.58Å; I463-A502 WeakPolarHBondContact CA-O 3.14Å; V464-A502 PolarHBondContact N-O 3.13Å; V464-A502 PolarHBondContact O-N 2.92Å; I466-A502 HydrophobicContact CD1-CB 4.43Å; L482-A502 HydrophobicContact CD1-CB 3.85Å; A502-F504 HydrophobicContact CB-CE2 3.84Å; A502-F504 HydrophobicContact CB-CZ 4.14Å
503R85.1Confident81.3Confident41 Ų4158.2 Ų58.216%0.15531%0.308CS..EExtended strand (participates in β ladder)trans-109.8123.7173.1-168.1-167.971.3-166.7-1.2110.2V462 I463 L489 Y490V462-R503 HydrophobicContact CG1-CG 4.16Å; V462-R503 WeakPolarHBondContact O-CA 3.45Å; I463-R503 HydrophobicContact CG1-CB 4.27Å; I463-R503 HydrophobicContact CG1-CG 3.97Å; L489-R503 PolarHBondContact N-O 3.32Å; Y490-R503 PolarHBondContact N-O 3.3Å; Y490-R503 PolarHBondContact O-N 2.92Å
504F85.8Confident81.4Confident1 Ų159.6 Ų59.60%0.00432%0.316CS..  trans-90.4-164.8178.1-64.8-86.7000110.9V462 V464 S486 V488 L489 A502 D509 A510 V513V462-F504 HydrophobicContact CG1-CB 4.32Å; V462-F504 WeakPolarHBondContact CG1-O 3.31Å; V462-F504 PolarHBondContact O-N 2.97Å; V464-F504 HydrophobicContact CB-CE2 3.97Å; V464-F504 HydrophobicContact CG2-CD2 3.99Å; V464-F504 HydrophobicContact CG2-CE2 3.58Å; S486-F504 WeakPolarHBondContact OG-CD1 3.33Å; S486-F504 WeakPolarHBondContact OG-CE1 2.98Å; V488-F504 HydrophobicContact CG2-CD1 4.32Å; V488-F504 HydrophobicContact CG2-CE1 3.68Å; V488-F504 HydrophobicContact CG2-CZ 4.27Å; L489-F504 WeakPolarHBondContact CD1-O 3.44Å; A502-F504 HydrophobicContact CB-CE2 3.84Å; A502-F504 HydrophobicContact CB-CZ 4.14Å; F504-D509 HydrophobicContact CB-CB 3.73Å; F504-D509 HydrophobicContact CD1-CB 4.01Å; F504-D509 HydrophobicContact CG-CB 4.14Å; F504-A510 HydrophobicContact CB-CB 4.35Å; F504-A510 HydrophobicContact CD2-CB 3.79Å; F504-A510 HydrophobicContact CE2-CB 4.49Å; F504-A510 HydrophobicContact CG-CB 4.18Å; F504-V513 HydrophobicContact CE1-CG2 3.78Å; F504-V513 HydrophobicContact CZ-CB 4.21Å; F504-V513 HydrophobicContact CZ-CG1 4.15Å; F504-V513 HydrophobicContact CZ-CG2 3.85Å
505K82.9Confident82Confident122 Ų12259.9 Ų59.953%0.5332%0.318SS..SBendtrans-106.8-42-176.7-177.5-178.7-178.1-176.80111.7E487 L489E487-K505 WeakPolarHBondContact OE2-CD 3.32Å; E487-K505 WeakPolarHBondContact OE2-CE 3.33Å; E487-K505 IonicContact OE2-NZ 3.67Å; E487-K505 PolarHBondContact OE2-NZ 3.46Å; L489-K505 HydrophobicContact CD1-CB 4.08Å; L489-K505 HydrophobicContact CD1-CG 4.42Å; L489-K505 HydrophobicContact CD2-CB 4.41Å; L489-K505 HydrophobicContact CG-CB 4.1Å
506T85.6Confident82.5Confident50 Ų5051.1 Ų51.131%0.30728%0.281SS..SBendtrans-117.9164.6170.868.90000110.3E508 D509T506-E508 VanDerWaalsContact C-N 3.27Å; T506-E508 PolarHBondContact OG1-N 2.66Å; T506-D509 WeakPolarHBondContact CB-OD2 3.22Å; T506-D509 PolarHBondContact N-OD2 2.85Å; T506-D509 PolarHBondContact OG1-N 2.66Å; T506-D509 PolarHBondContact OG1-OD2 2.86Å
507P83.6Confident82.9Confident45 Ų4551.9 Ų51.929%0.29227%0.268SS..Hα-helixtrans-69.6-26168.228.4-34.6000112.3V462 A510 Q511V462-P507 HydrophobicContact CG2-CB 4.3Å; P507-A510 PolarHBondContact O-N 2.83Å; P507-Q511 WeakPolarHBondContact O-CG 3.46Å; P507-Q511 PolarHBondContact O-N 2.77Å
508E85.8Confident82.6Confident143 Ų14353 Ų5367%0.66828%0.277SS*.Hα-helixtrans-64.4-42.6176.2-64.8168.4-156.600111.2T506 A510 Q511 A512T506-E508 VanDerWaalsContact C-N 3.27Å; T506-E508 PolarHBondContact OG1-N 2.66Å; E508-A510 PolarHBondContact O-N 3.08Å; E508-Q511 PolarHBondContact O-N 2.81Å; E508-A512 WeakPolarHBondContact O-CB 3.28Å; E508-A512 PolarHBondContact O-N 3.13Å
509D85Confident82.2Confident33 Ų3354.9 Ų54.918%0.17628%0.281CS..Hα-helixtrans-55.9-37.9172.8-69.7-62.2000112.6S486 F504 T506 V513S486-D509 WeakPolarHBondContact CB-O 3.41Å; S486-D509 PolarHBondContact OG-O 3.4Å; F504-D509 HydrophobicContact CB-CB 3.73Å; F504-D509 HydrophobicContact CD1-CB 4.01Å; F504-D509 HydrophobicContact CG-CB 4.14Å; T506-D509 WeakPolarHBondContact CB-OD2 3.22Å; T506-D509 PolarHBondContact N-OD2 2.85Å; T506-D509 PolarHBondContact OG1-N 2.66Å; T506-D509 PolarHBondContact OG1-OD2 2.86Å; D509-V513 PolarHBondContact O-N 3.42Å
510A83.2Confident81.6Confident0 Ų051.8 Ų51.80%027%0.266CS..Hα-helixtrans-76.6-39.4-179.300000111.7G461 V464 F504 P507 E508 V513 I514G461-A510 WeakPolarHBondContact O-CB 3.39Å; V464-A510 HydrophobicContact CG2-CB 3.79Å; F504-A510 HydrophobicContact CB-CB 4.35Å; F504-A510 HydrophobicContact CD2-CB 3.79Å; F504-A510 HydrophobicContact CE2-CB 4.49Å; F504-A510 HydrophobicContact CG-CB 4.18Å; P507-A510 PolarHBondContact O-N 2.83Å; E508-A510 PolarHBondContact O-N 3.08Å; A510-V513 PolarHBondContact O-N 3.41Å; A510-I514 PolarHBondContact O-N 3.35Å
511Q83.7Confident80.9Confident103 Ų10353.2 Ų53.248%0.48128%0.277SS..Hα-helixtrans-65.3-40.6172.8-71173.9500111.7P507 E508 V513 I514 N515 I530P507-Q511 WeakPolarHBondContact O-CG 3.46Å; P507-Q511 PolarHBondContact O-N 2.77Å; E508-Q511 PolarHBondContact O-N 2.81Å; Q511-V513 VanDerWaalsContact C-N 3.3Å; Q511-V513 PolarHBondContact O-N 3.02Å; Q511-I514 CarbonylContact O-C 3.53Å; Q511-I514 PolarHBondContact O-N 3.1Å; Q511-I514 VanDerWaalsContact O-N 3.08Å; Q511-N515 VanDerWaalsContact O-CG 3.28Å; Q511-N515 PolarHBondContact O-N 2.97Å; Q511-N515 PolarHBondContact O-ND2 2.86Å; Q511-I530 HydrophobicContact CG-CD1 3.92Å
512A84.3Confident80Confident40 Ų4060 Ų6033%0.33131%0.305SS..Hα-helixtrans-57.8-40.917600000112.4E508 I514 N515 A516E508-A512 WeakPolarHBondContact O-CB 3.28Å; E508-A512 PolarHBondContact O-N 3.13Å; A512-I514 VanDerWaalsContact C-N 3.34Å; A512-I514 PolarHBondContact O-N 3.47Å; A512-N515 PolarHBondContact O-N 3.28Å; A512-A516 WeakPolarHBondContact O-CB 3.33Å; A512-A516 PolarHBondContact O-N 2.99Å
513V83.1Confident79.1Confident0 Ų066.3 Ų66.30%033%0.333CS..Hα-helixtrans-66.1-32.6175.5160.10000112.9L482 I485 S486 F504 D509 A510 Q511 A516 Y517 I520 L528L482-V513 HydrophobicContact CD2-CG1 3.84Å; I485-V513 HydrophobicContact CB-CG2 4.01Å; I485-V513 HydrophobicContact CG2-CG2 3.71Å; S486-V513 VanDerWaalsContact OG-CG2 3.31Å; S486-V513 WeakPolarHBondContact OG-CG2 3.18Å; F504-V513 HydrophobicContact CE1-CG2 3.78Å; F504-V513 HydrophobicContact CZ-CB 4.21Å; F504-V513 HydrophobicContact CZ-CG1 4.15Å; F504-V513 HydrophobicContact CZ-CG2 3.85Å; D509-V513 PolarHBondContact O-N 3.42Å; A510-V513 PolarHBondContact O-N 3.41Å; Q511-V513 VanDerWaalsContact C-N 3.3Å; Q511-V513 PolarHBondContact O-N 3.02Å; V513-A516 CarbonylContact O-C 3.49Å; V513-Y517 PolarHBondContact O-N 2.94Å; V513-I520 HydrophobicContact CG1-CD1 4.21Å; V513-L528 HydrophobicContact CG1-CD2 3.56Å
514I81.9Confident78.1Confident46 Ų4668.5 Ų68.524%0.23635%0.345CS..Hα-helixtrans-80.4-29.5173.7-69-167.9000112.2V464 A510 Q511 A512 A516 Y517 L528 I530V464-I514 HydrophobicContact CG1-CD1 4.27Å; V464-I514 HydrophobicContact CG1-CG1 4.43Å; A510-I514 PolarHBondContact O-N 3.35Å; Q511-I514 CarbonylContact O-C 3.53Å; Q511-I514 PolarHBondContact O-N 3.1Å; Q511-I514 VanDerWaalsContact O-N 3.08Å; A512-I514 VanDerWaalsContact C-N 3.34Å; A512-I514 PolarHBondContact O-N 3.47Å; I514-A516 VanDerWaalsContact C-N 3.29Å; I514-A516 PolarHBondContact O-N 3.47Å; I514-Y517 WeakPolarHBondContact O-CB 3.27Å; I514-Y517 PolarHBondContact O-N 3.46Å; I514-L528 HydrophobicContact CG1-CB 4.2Å; I514-I530 HydrophobicContact CD1-CB 4.26Å; I514-I530 HydrophobicContact CD1-CD1 3.94Å; I514-I530 HydrophobicContact CD1-CG1 3.65Å
515N83.1Confident77.2Confident130 Ų13072.5 Ų72.570%0.69537%0.372SS*.Hα-helixtrans-66.2-36.6169.7-65.3-20.8000110.7Q511 A512 Y517Q511-N515 VanDerWaalsContact O-CG 3.28Å; Q511-N515 PolarHBondContact O-N 2.97Å; Q511-N515 PolarHBondContact O-ND2 2.86Å; A512-N515 PolarHBondContact O-N 3.28Å; N515-Y517 PolarHBondContact O-N 3.31Å
516A80.1Confident77.1Confident24 Ų2467 Ų6720%0.19835%0.348CS..THydrogen-bonded Turntrans-74.81.4170.400000114.6I485 A512 V513 I514 T518 E519 I520I485-A516 HydrophobicContact CD1-CB 3.95Å; I485-A516 HydrophobicContact CG2-CB 4.16Å; A512-A516 WeakPolarHBondContact O-CB 3.33Å; A512-A516 PolarHBondContact O-N 2.99Å; V513-A516 CarbonylContact O-C 3.49Å; I514-A516 VanDerWaalsContact C-N 3.29Å; I514-A516 PolarHBondContact O-N 3.47Å; A516-T518 PolarHBondContact O-N 3.27Å; A516-T518 VanDerWaalsContact O-N 3.1Å; A516-E519 PolarHBondContact O-N 2.89Å; A516-I520 PolarHBondContact O-N 3.07Å
517Y75.2Confident76.7Confident69 Ų6970.3 Ų70.327%0.27136%0.358SS..Hα-helixtrans-49.9-41-176.9173.3-105.1000113.3V513 I514 N515 E519 I520 S521 W526 L528V513-Y517 PolarHBondContact O-N 2.94Å; I514-Y517 WeakPolarHBondContact O-CB 3.27Å; I514-Y517 PolarHBondContact O-N 3.46Å; N515-Y517 PolarHBondContact O-N 3.31Å; Y517-E519 PolarHBondContact O-N 2.89Å; Y517-I520 PolarHBondContact O-N 2.94Å; Y517-S521 VanDerWaalsContact O-CB 3.25Å; Y517-S521 WeakPolarHBondContact O-CB 3.5Å; Y517-S521 PolarHBondContact O-N 2.93Å; Y517-S521 PolarHBondContact OH-OG 3.37Å; Y517-W526 WeakPolarHBondContact CE2-O 3.43Å; Y517-W526 PolarHBondContact OH-O 3.3Å; Y517-L528 HydrophobicContact CD2-CB 4.03Å; Y517-L528 HydrophobicContact CD2-CD1 3.69Å; Y517-L528 HydrophobicContact CD2-CG 4.43Å; Y517-L528 HydrophobicContact CE2-CB 4.42Å; Y517-L528 HydrophobicContact CE2-CD1 3.9Å
518T69.6Low76.6Confident84 Ų8468.9 Ų68.952%0.51535%0.348SS..Hα-helixtrans-66-20.9-17671.10000113.4A516 K522A516-T518 PolarHBondContact O-N 3.27Å; A516-T518 VanDerWaalsContact O-N 3.1Å; T518-K522 WeakPolarHBondContact O-CD 3.49Å; T518-K522 WeakPolarHBondContact O-CE 3.43Å; T518-K522 WeakPolarHBondContact O-CG 3.39Å
519E70.2Confident76.5Confident110 Ų11066.5 Ų66.551%0.51434%0.337SS..Hα-helixtrans-85-43.1171.8-70.3-160.2-15100112.5A516 Y517 K522 K523A516-E519 PolarHBondContact O-N 2.89Å; Y517-E519 PolarHBondContact O-N 2.89Å; E519-K522 PolarHBondContact O-N 3.43Å; E519-K523 WeakPolarHBondContact O-CD 3.31Å; E519-K523 VanDerWaalsContact O-CG 3.28Å; E519-K523 WeakPolarHBondContact O-CG 3.24Å; E519-K523 PolarHBondContact O-N 2.87Å; E519-K523 IonicContact OE2-NZ 2.7Å; E519-K523 PolarHBondContact OE2-NZ 3.07Å
520I70.5Confident76.4Confident13 Ų1367.5 Ų67.57%0.06734%0.342CS..Hα-helixtrans-63.5-47-179.5-58.3164.4000109.7I485 V513 A516 Y517 K522 K523 H524 W526 L528I485-I520 HydrophobicContact CD1-CD1 3.78Å; I485-I520 HydrophobicContact CD1-CG1 3.99Å; V513-I520 HydrophobicContact CG1-CD1 4.21Å; A516-I520 PolarHBondContact O-N 3.07Å; Y517-I520 PolarHBondContact O-N 2.94Å; I520-K522 PolarHBondContact O-N 2.81Å; I520-K523 PolarHBondContact O-N 2.8Å; I520-K523 VanDerWaalsContact O-N 3.14Å; I520-H524 PolarHBondContact O-N 2.95Å; I520-W526 HydrophobicContact CG2-CB 4.4Å; I520-W526 HydrophobicContact CG2-CD2 4.22Å; I520-W526 HydrophobicContact CG2-CE3 3.47Å; I520-W526 VanDerWaalsContact CG2-CE3 3.47Å; I520-W526 HydrophobicContact CG2-CZ3 4.04Å; I520-L528 HydrophobicContact CB-CD1 4.47Å; I520-L528 HydrophobicContact CD1-CD2 4.16Å; I520-L528 HydrophobicContact CG2-CD1 3.96Å
521S68.2Low76.4Confident31 Ų3168.5 Ų68.522%0.21735%0.347CS..Hα-helixtrans-64.2-39.8-179.5-171.40000112.1Y517 K523 C525Y517-S521 VanDerWaalsContact O-CB 3.25Å; Y517-S521 WeakPolarHBondContact O-CB 3.5Å; Y517-S521 PolarHBondContact O-N 2.93Å; Y517-S521 PolarHBondContact OH-OG 3.37Å; S521-K523 VanDerWaalsContact C-N 3.29Å; S521-K523 PolarHBondContact O-N 3.35Å; S521-C525 WeakPolarHBondContact O-CA 3.35Å; S521-C525 PolarHBondContact O-N 3.34Å
522K68.1Low76.3Confident174 Ų17467.2 Ų67.276%0.75735%0.349SS*.Hα-helixtrans-64.8-27.2173-75.2172.4-166.2166.90114.1T518 E519 I520T518-K522 WeakPolarHBondContact O-CD 3.49Å; T518-K522 WeakPolarHBondContact O-CE 3.43Å; T518-K522 WeakPolarHBondContact O-CG 3.39Å; E519-K522 PolarHBondContact O-N 3.43Å; I520-K522 PolarHBondContact O-N 2.81Å
523K65.3Low76.2Confident133 Ų13367.2 Ų67.258%0.57835%0.353SS*.Hα-helixtrans-92.2-33.3-177.1-70.3164.1-175.6162.80112.8E519 I520 S521E519-K523 WeakPolarHBondContact O-CD 3.31Å; E519-K523 VanDerWaalsContact O-CG 3.28Å; E519-K523 WeakPolarHBondContact O-CG 3.24Å; E519-K523 PolarHBondContact O-N 2.87Å; E519-K523 IonicContact OE2-NZ 2.7Å; E519-K523 PolarHBondContact OE2-NZ 3.07Å; I520-K523 PolarHBondContact O-N 2.8Å; I520-K523 VanDerWaalsContact O-N 3.14Å; S521-K523 VanDerWaalsContact C-N 3.29Å; S521-K523 PolarHBondContact O-N 3.35Å
524H65Low76Confident88 Ų8871.7 Ų71.741%0.40738%0.377SS..Hα-helixtrans-140.66.5-168.7-58.3-48000115.8I520 W526I520-H524 PolarHBondContact O-N 2.95Å; H524-W526 HydrophobicContact CB-CD2 3.87Å; H524-W526 HydrophobicContact CB-CG 4.12Å; H524-W526 HydrophobicContact CB-CH2 4.46Å; H524-W526 HydrophobicContact CB-CZ2 3.82Å; H524-W526 AromaticContact CD2-CH2 3.9Å; H524-W526 AromaticContact CD2-CZ2 4Å; H524-W526 AromaticContact CG-CZ2 3.95Å; H524-W526 PolarHBondContact O-N 2.84Å; H524-W526 PolarHBondContact O-NE1 2.9Å
525C66.4Low75.9Confident84 Ų8475.3 Ų75.357%0.56839%0.393SS*.  trans58.115.4178.5-62.30000116.1S521S521-C525 WeakPolarHBondContact O-CA 3.35Å; S521-C525 PolarHBondContact O-N 3.34Å
526W80.8Confident76Confident6 Ų669.1 Ų69.12%0.02336%0.36CS..  trans-71.7143.8177.4-57.3-15.6000111.6I466 L472 P473 V478 Y517 I520 H524 L528I466-W526 HydrophobicContact CG2-CB 3.81Å; I466-W526 HydrophobicContact CG2-CD2 4.19Å; I466-W526 HydrophobicContact CG2-CE3 4.23Å; I466-W526 HydrophobicContact CG2-CG 4.01Å; L472-W526 HydrophobicContact CD2-CD2 4.3Å; L472-W526 HydrophobicContact CD2-CG 4.36Å; L472-W526 HydrophobicContact CD2-CZ2 4.36Å; P473-W526 HydrophobicContact CG-CZ2 3.79Å; V478-W526 HydrophobicContact CG2-CH2 4.11Å; V478-W526 HydrophobicContact CG2-CZ2 4.26Å; Y517-W526 WeakPolarHBondContact CE2-O 3.43Å; Y517-W526 PolarHBondContact OH-O 3.3Å; I520-W526 HydrophobicContact CG2-CB 4.4Å; I520-W526 HydrophobicContact CG2-CD2 4.22Å; I520-W526 HydrophobicContact CG2-CE3 3.47Å; I520-W526 VanDerWaalsContact CG2-CE3 3.47Å; I520-W526 HydrophobicContact CG2-CZ3 4.04Å; H524-W526 HydrophobicContact CB-CD2 3.87Å; H524-W526 HydrophobicContact CB-CG 4.12Å; H524-W526 HydrophobicContact CB-CH2 4.46Å; H524-W526 HydrophobicContact CB-CZ2 3.82Å; H524-W526 AromaticContact CD2-CH2 3.9Å; H524-W526 AromaticContact CD2-CZ2 4Å; H524-W526 AromaticContact CG-CZ2 3.95Å; H524-W526 PolarHBondContact O-N 2.84Å; H524-W526 PolarHBondContact O-NE1 2.9Å; W526-L528 HydrophobicContact CB-CD1 3.89Å
527K77.8Confident76.1Confident120 Ų12072.2 Ų72.252%0.52237%0.37SS..EExtended strand (participates in β ladder)trans-98.5133.9164.2-63.9-178.6-179.9-178.80108.5I466 I467I466-K527 CarbonylContact C-O 3.52Å; I466-K527 VanDerWaalsContact CA-O 3.3Å; I466-K527 WeakPolarHBondContact CA-O 3.33Å; I467-K527 HydrophobicContact CB-CB 4.38Å; I467-K527 PolarHBondContact N-O 2.66Å; I467-K527 PolarHBondContact O-N 2.82Å
528L82Confident76.5Confident16 Ų1676.2 Ų76.28%0.08438%0.384CS..EExtended strand (participates in β ladder)trans-123.7130.7-179.5-71.589000110.5V464 K465 I466 L482 V513 I514 Y517 I520 W526V464-L528 HydrophobicContact CG1-CB 3.98Å; V464-L528 HydrophobicContact CG1-CD2 4.09Å; V464-L528 HydrophobicContact CG1-CG 4.37Å; K465-L528 WeakPolarHBondContact O-CA 3.4Å; I466-L528 HydrophobicContact CD1-CD2 3.91Å; I466-L528 HydrophobicContact CD1-CG 4.29Å; I466-L528 HydrophobicContact CG1-CD2 4.07Å; I466-L528 HydrophobicContact CG1-CG 4Å; I466-L528 HydrophobicContact CG2-CD1 4.39Å; I466-L528 HydrophobicContact CG2-CG 4.17Å; L482-L528 HydrophobicContact CD2-CD2 4.34Å; V513-L528 HydrophobicContact CG1-CD2 3.56Å; I514-L528 HydrophobicContact CG1-CB 4.2Å; Y517-L528 HydrophobicContact CD2-CB 4.03Å; Y517-L528 HydrophobicContact CD2-CD1 3.69Å; Y517-L528 HydrophobicContact CD2-CG 4.43Å; Y517-L528 HydrophobicContact CE2-CB 4.42Å; Y517-L528 HydrophobicContact CE2-CD1 3.9Å; I520-L528 HydrophobicContact CB-CD1 4.47Å; I520-L528 HydrophobicContact CD1-CD2 4.16Å; I520-L528 HydrophobicContact CG2-CD1 3.96Å; W526-L528 HydrophobicContact CB-CD1 3.89Å
529E82.6Confident77.1Confident92 Ų9272.9 Ų72.943%0.4336%0.362SS..EExtended strand (participates in β ladder)trans-135.1125.6-173.8-64.8171.6177.800109.6V464 K465 L531V464-E529 CarbonylContact C-O 3.52Å; V464-E529 WeakPolarHBondContact CA-O 3.48Å; K465-E529 HydrophobicContact CB-CB 4.49Å; K465-E529 PolarHBondContact N-O 2.8Å; K465-E529 PolarHBondContact O-N 2.89Å; E529-L531 PolarHBondContact O-N 2.98Å
530I84Confident77.7Confident55 Ų5568.3 Ų68.328%0.28234%0.341SS..EExtended strand (participates in β ladder)trans-70.3123.5168.9-83.2159.1000108.5V464 Q511 I514V464-I530 HydrophobicContact CG2-CG1 4.05Å; Q511-I530 HydrophobicContact CG-CD1 3.92Å; I514-I530 HydrophobicContact CD1-CB 4.26Å; I514-I530 HydrophobicContact CD1-CD1 3.94Å; I514-I530 HydrophobicContact CD1-CG1 3.65Å
531L82Confident78.4Confident21 Ų2173.2 Ų73.211%0.1136%0.363CS..  trans-71.7132.1165.7-66.9-167.6000109I463 K465 E529 H535 E536 Y539I463-L531 HydrophobicContact CB-CB 4.41Å; I463-L531 HydrophobicContact CG2-CB 4.32Å; I463-L531 HydrophobicContact CG2-CD1 3.9Å; I463-L531 HydrophobicContact CG2-CG 4.19Å; I463-L531 PolarHBondContact O-N 3.49Å; K465-L531 HydrophobicContact CB-CD2 3.98Å; K465-L531 HydrophobicContact CB-CG 4.14Å; K465-L531 HydrophobicContact CD-CD2 4.42Å; E529-L531 PolarHBondContact O-N 2.98Å; L531-H535 HydrophobicContact CD2-CB 4.3Å; L531-E536 HydrophobicContact CB-CB 4.03Å; L531-E536 HydrophobicContact CB-CG 4.14Å; L531-E536 VanDerWaalsContact O-CD 3.25Å; L531-Y539 HydrophobicContact CD1-CG 4.41Å
532S81.8Confident79.2Confident76 Ų7676.1 Ų76.153%0.53137%0.372SS..  trans-138.9162.5176.754.70000110.6
533G82.6Confident80Confident40 Ų4069.1 Ų69.141%0.41234%0.343SS..Hα-helixtrans57.4-139.917900000113.4H535 E536 Q537G533-H535 VanDerWaalsContact C-N 3.26Å; G533-H535 PolarHBondContact O-N 2.99Å; G533-E536 PolarHBondContact O-N 2.81Å; G533-E536 VanDerWaalsContact O-N 3.12Å; G533-Q537 WeakPolarHBondContact O-CG 3.47Å; G533-Q537 PolarHBondContact O-N 3.42Å
534D79.9Confident80.9Confident93 Ų9366.7 Ų66.750%0.49734%0.335SS..Hα-helixtrans-54.9-35.6-176.3-72.322.1000114.2Q537 R538D534-Q537 PolarHBondContact O-N 3.4Å; D534-R538 WeakPolarHBondContact O-CB 3.29Å; D534-R538 WeakPolarHBondContact O-CG 3.45Å; D534-R538 PolarHBondContact O-N 3.32Å; D534-R538 IonicContact OD2-NH2 2.76Å
535H79.1Confident81.9Confident122 Ų12267.2 Ų67.257%0.56535%0.345SS*.Hα-helixtrans-67.4-41.3-180-63.9101.5000111.2L531 G533 Y539L531-H535 HydrophobicContact CD2-CB 4.3Å; G533-H535 VanDerWaalsContact C-N 3.26Å; G533-H535 PolarHBondContact O-N 2.99Å; H535-Y539 PolarHBondContact O-N 2.95Å; H535-Y539 VanDerWaalsContact O-N 3.13Å
536E84.3Confident82.7Confident1 Ų165.7 Ų65.71%0.00533%0.331CS..Hα-helixtrans-67-44.4174.5-156.6-176.4-17100111S460 G461 V462 I463 L531 G533 R538 Y539 W540S460-E536 VanDerWaalsContact CA-OE2 3.24Å; S460-E536 WeakPolarHBondContact CA-OE2 3.31Å; G461-E536 PolarHBondContact N-OE1 3.11Å; G461-E536 PolarHBondContact N-OE2 3.32Å; V462-E536 PolarHBondContact N-OE1 3.35Å; I463-E536 HydrophobicContact CB-CG 4.38Å; I463-E536 HydrophobicContact CD1-CG 3.52Å; L531-E536 HydrophobicContact CB-CB 4.03Å; L531-E536 HydrophobicContact CB-CG 4.14Å; L531-E536 VanDerWaalsContact O-CD 3.25Å; G533-E536 PolarHBondContact O-N 2.81Å; G533-E536 VanDerWaalsContact O-N 3.12Å; E536-R538 PolarHBondContact O-N 2.96Å; E536-Y539 PolarHBondContact O-N 3.41Å; E536-W540 VanDerWaalsContact O-CD1 3.24Å; E536-W540 PolarHBondContact O-N 2.99Å
537Q83.1Confident82.7Confident88 Ų8870.1 Ų70.141%0.41135%0.348SS..Hα-helixtrans-59.7-44.9176.9-69.1179.745.700112.5F458 G533 D534 Y539 W540 Q541F458-Q537 HydrophobicContact CD2-CG 4.46Å; F458-Q537 HydrophobicContact CE2-CB 4.42Å; F458-Q537 HydrophobicContact CE2-CG 3.64Å; F458-Q537 HydrophobicContact CZ-CG 3.94Å; G533-Q537 WeakPolarHBondContact O-CG 3.47Å; G533-Q537 PolarHBondContact O-N 3.42Å; D534-Q537 PolarHBondContact O-N 3.4Å; Q537-Y539 VanDerWaalsContact C-N 3.3Å; Q537-Y539 PolarHBondContact O-N 2.86Å; Q537-W540 PolarHBondContact O-N 3.44Å; Q537-Q541 WeakPolarHBondContact O-CG 3.5Å; Q537-Q541 PolarHBondContact O-N 2.9Å
538R83.2Confident82.9Confident153 Ų15368.4 Ų68.458%0.57734%0.341SS*.Hα-helixtrans-61.6-38.1175.5-73.4169.3-171.11737.4111.8D534 E536 Q541 K542D534-R538 WeakPolarHBondContact O-CB 3.29Å; D534-R538 WeakPolarHBondContact O-CG 3.45Å; D534-R538 PolarHBondContact O-N 3.32Å; D534-R538 IonicContact OD2-NH2 2.76Å; E536-R538 PolarHBondContact O-N 2.96Å; R538-Q541 PolarHBondContact O-N 3.48Å; R538-K542 PolarHBondContact O-N 3.33Å
539Y82.9Confident83Confident14 Ų1469.8 Ų69.86%0.05536%0.355CS..Hα-helixtrans-71.4-38.3176.4-174.9-98.5000112.7I463 D492 H501 L531 H535 E536 Q537 Q541 K542 I543I463-Y539 HydrophobicContact CD1-CD1 3.64Å; I463-Y539 HydrophobicContact CD1-CE1 4.2Å; I463-Y539 HydrophobicContact CG1-CD1 4.02Å; I463-Y539 HydrophobicContact CG1-CE1 4.13Å; I463-Y539 HydrophobicContact CG2-CD1 3.85Å; I463-Y539 HydrophobicContact CG2-CE1 3.88Å; D492-Y539 WeakPolarHBondContact CB-OH 3.12Å; H501-Y539 HydrophobicContact CB-CD2 4.48Å; H501-Y539 HydrophobicContact CB-CE1 4.09Å; H501-Y539 HydrophobicContact CB-CE2 3.63Å; H501-Y539 VanDerWaalsContact CB-OH 3.27Å; H501-Y539 WeakPolarHBondContact CB-OH 3.4Å; H501-Y539 AromaticContact CD2-CD2 3.81Å; H501-Y539 AromaticContact CD2-CE2 3.78Å; H501-Y539 AromaticContact CG-CE2 3.6Å; H501-Y539 AromaticContact CG-CZ 3.92Å; L531-Y539 HydrophobicContact CD1-CG 4.41Å; H535-Y539 PolarHBondContact O-N 2.95Å; H535-Y539 VanDerWaalsContact O-N 3.13Å; E536-Y539 PolarHBondContact O-N 3.41Å; Q537-Y539 VanDerWaalsContact C-N 3.3Å; Q537-Y539 PolarHBondContact O-N 2.86Å; Y539-Q541 VanDerWaalsContact C-N 3.34Å; Y539-Q541 PolarHBondContact O-N 3.19Å; Y539-K542 HydrophobicContact CD2-CD 4.11Å; Y539-K542 HydrophobicContact CE2-CD 4.07Å; Y539-K542 WeakPolarHBondContact O-CB 3.24Å; Y539-K542 PolarHBondContact O-N 3.09Å; Y539-I543 HydrophobicContact CD1-CD1 3.81Å; Y539-I543 HydrophobicContact CD1-CG1 4.46Å; Y539-I543 HydrophobicContact CE1-CD1 3.44Å; Y539-I543 VanDerWaalsContact CE1-CD1 3.44Å; Y539-I543 HydrophobicContact CE1-CG1 4.08Å; Y539-I543 WeakPolarHBondContact O-CG1 3.37Å; Y539-I543 PolarHBondContact O-N 3.32Å
540W82.9Confident82.9Confident15 Ų1569.9 Ų69.96%0.05735%0.354CS..Hα-helixtrans-60.7-41.4169-83.7110.1000112.2P456 Q457 F458 V459 I463 E536 Q537 I543 L544P456-W540 HydrophobicContact CB-CH2 4.36Å; P456-W540 HydrophobicContact CB-CZ3 3.85Å; P456-W540 HydrophobicContact CG-CZ3 3.99Å; P456-W540 WeakPolarHBondContact O-CZ3 3.4Å; Q457-W540 VanDerWaalsContact O-CH2 3.22Å; Q457-W540 WeakPolarHBondContact O-CH2 3.28Å; F458-W540 HydrophobicContact CD2-CB 4.13Å; F458-W540 AromaticContact CD2-CD1 3.26Å; F458-W540 HydrophobicContact CD2-CD2 4.34Å; F458-W540 AromaticContact CD2-CG 3.68Å; F458-W540 HydrophobicContact CD2-CG 3.68Å; F458-W540 AromaticContact CD2-NE1 3.67Å; F458-W540 AromaticContact CE2-CD1 3.42Å; F458-W540 VanDerWaalsContact CE2-CD1 3.42Å; F458-W540 HydrophobicContact CE2-CG 4.23Å; F458-W540 AromaticContact CE2-NE1 3.88Å; V459-W540 PolarHBondContact O-NE1 2.82Å; I463-W540 HydrophobicContact CD1-CD2 4.28Å; I463-W540 HydrophobicContact CD1-CG 4.2Å; I463-W540 HydrophobicContact CD1-CZ2 4.39Å; I463-W540 VanDerWaalsContact CD1-NE1 3.27Å; E536-W540 VanDerWaalsContact O-CD1 3.24Å; E536-W540 PolarHBondContact O-N 2.99Å; Q537-W540 PolarHBondContact O-N 3.44Å; W540-I543 HydrophobicContact CE3-CD1 4.41Å; W540-I543 PolarHBondContact O-N 2.92Å; W540-L544 WeakPolarHBondContact O-CG 3.25Å; W540-L544 PolarHBondContact O-N 2.84Å; W540-L544 VanDerWaalsContact O-N 3.1Å
541Q84.9Confident82.7Confident116 Ų11672.3 Ų72.354%0.54237%0.367SS..Hα-helixtrans-62-44.2172.7-71.5170.62.400111.7Q537 R538 Y539 I543 L544 V545Q537-Q541 WeakPolarHBondContact O-CG 3.5Å; Q537-Q541 PolarHBondContact O-N 2.9Å; R538-Q541 PolarHBondContact O-N 3.48Å; Y539-Q541 VanDerWaalsContact C-N 3.34Å; Y539-Q541 PolarHBondContact O-N 3.19Å; Q541-I543 VanDerWaalsContact C-N 3.35Å; Q541-I543 PolarHBondContact O-N 3.32Å; Q541-L544 PolarHBondContact O-N 3.12Å; Q541-L544 VanDerWaalsContact O-N 3.16Å; Q541-V545 WeakPolarHBondContact O-CG2 3.45Å; Q541-V545 PolarHBondContact O-N 2.93Å
542K85.6Confident82.6Confident91 Ų9176.7 Ų76.740%0.39639%0.391SS..Hα-helixtrans-53-50.5172.1-176-155.9176.1-165.80110.8D492 R538 Y539 L544 V545 D546D492-K542 IonicContact OD2-NZ 3.2Å; D492-K542 PolarHBondContact OD2-NZ 3.21Å; R538-K542 PolarHBondContact O-N 3.33Å; Y539-K542 HydrophobicContact CD2-CD 4.11Å; Y539-K542 HydrophobicContact CE2-CD 4.07Å; Y539-K542 WeakPolarHBondContact O-CB 3.24Å; Y539-K542 PolarHBondContact O-N 3.09Å; K542-L544 VanDerWaalsContact C-N 3.31Å; K542-L544 PolarHBondContact O-N 2.89Å; K542-V545 PolarHBondContact O-N 2.85Å; K542-D546 VanDerWaalsContact O-CB 3.31Å; K542-D546 WeakPolarHBondContact O-CB 3.21Å; K542-D546 PolarHBondContact O-N 2.91Å
543I84.2Confident82.5Confident28 Ų2878.8 Ų78.814%0.14439%0.392CS..Hα-helixtrans-56.6-43178.3-70.2164.1000111.8Y539 W540 Q541 R547Y539-I543 HydrophobicContact CD1-CD1 3.81Å; Y539-I543 HydrophobicContact CD1-CG1 4.46Å; Y539-I543 HydrophobicContact CE1-CD1 3.44Å; Y539-I543 VanDerWaalsContact CE1-CD1 3.44Å; Y539-I543 HydrophobicContact CE1-CG1 4.08Å; Y539-I543 WeakPolarHBondContact O-CG1 3.37Å; Y539-I543 PolarHBondContact O-N 3.32Å; W540-I543 HydrophobicContact CE3-CD1 4.41Å; W540-I543 PolarHBondContact O-N 2.92Å; Q541-I543 VanDerWaalsContact C-N 3.35Å; Q541-I543 PolarHBondContact O-N 3.32Å; I543-R547 VanDerWaalsContact O-CB 3.25Å; I543-R547 WeakPolarHBondContact O-CB 3.32Å; I543-R547 PolarHBondContact O-N 3.49Å
544L83.4Confident81.8Confident81 Ų8183 Ų8342%0.42441%0.413SS..Hα-helixtrans-68.8-43.1-179.5-68.3172.3000112.1W540 Q541 K542 R547 Q548W540-L544 WeakPolarHBondContact O-CG 3.25Å; W540-L544 PolarHBondContact O-N 2.84Å; W540-L544 VanDerWaalsContact O-N 3.1Å; Q541-L544 PolarHBondContact O-N 3.12Å; Q541-L544 VanDerWaalsContact O-N 3.16Å; K542-L544 VanDerWaalsContact C-N 3.31Å; K542-L544 PolarHBondContact O-N 2.89Å; L544-R547 PolarHBondContact O-N 2.98Å; L544-Q548 WeakPolarHBondContact O-CB 3.47Å; L544-Q548 PolarHBondContact O-N 3.36Å
545V85.4Confident81.1Confident100 Ų10087.2 Ų87.261%0.60642%0.421SS*.Hα-helixtrans-62.1-47.5174.51720000110.7Q541 K542 R547 Q548 A549Q541-V545 WeakPolarHBondContact O-CG2 3.45Å; Q541-V545 PolarHBondContact O-N 2.93Å; K542-V545 PolarHBondContact O-N 2.85Å; V545-R547 PolarHBondContact O-N 3.39Å; V545-Q548 PolarHBondContact O-N 2.94Å; V545-Q548 VanDerWaalsContact O-N 3.15Å; V545-A549 WeakPolarHBondContact O-CB 3.4Å; V545-A549 PolarHBondContact O-N 3.35Å
546D83.6Confident80.4Confident52 Ų5288.1 Ų88.128%0.27843%0.426SS..Hα-helixtrans-60.4-43176.9-102.523.8000112.4K542 Q548 A549 K550K542-D546 VanDerWaalsContact O-CB 3.31Å; K542-D546 WeakPolarHBondContact O-CB 3.21Å; K542-D546 PolarHBondContact O-N 2.91Å; D546-Q548 VanDerWaalsContact C-N 3.33Å; D546-A549 PolarHBondContact O-N 3.29Å; D546-K550 VanDerWaalsContact O-CB 3.28Å; D546-K550 WeakPolarHBondContact O-CB 3.45Å; D546-K550 VanDerWaalsContact O-CD 3.29Å; D546-K550 WeakPolarHBondContact O-CD 3.45Å; D546-K550 WeakPolarHBondContact O-CG 3.43Å; D546-K550 PolarHBondContact O-N 3.47Å; D546-K550 IonicContact OD2-NZ 2.81Å; D546-K550 PolarHBondContact OD2-NZ 3.13Å
547R80.5Confident79.3Confident98 Ų9897.7 Ų97.737%0.3747%0.467SS..Hα-helixtrans-60.1-45.1174.7-179-177.4-175.1-102.816110.3A453 I543 L544 V545 K550 L551A453-R547 PolarHBondContact O-NH2 2.92Å; I543-R547 VanDerWaalsContact O-CB 3.25Å; I543-R547 WeakPolarHBondContact O-CB 3.32Å; I543-R547 PolarHBondContact O-N 3.49Å; L544-R547 PolarHBondContact O-N 2.98Å; V545-R547 PolarHBondContact O-N 3.39Å; R547-K550 PolarHBondContact O-N 3.46Å; R547-L551 WeakPolarHBondContact O-CB 3.44Å; R547-L551 PolarHBondContact O-N 3.09Å
548Q82.4Confident78.3Confident84 Ų8498.9 Ų98.939%0.39347%0.471SS..Hα-helixtrans-68.9-38.3179.8-164.460.342.400111.9L544 V545 D546 L551 N552L544-Q548 WeakPolarHBondContact O-CB 3.47Å; L544-Q548 PolarHBondContact O-N 3.36Å; V545-Q548 PolarHBondContact O-N 2.94Å; V545-Q548 VanDerWaalsContact O-N 3.15Å; D546-Q548 VanDerWaalsContact C-N 3.33Å; Q548-L551 WeakPolarHBondContact O-CB 3.41Å; Q548-L551 PolarHBondContact O-N 3.35Å; Q548-N552 PolarHBondContact NE2-OD1 2.87Å; Q548-N552 WeakPolarHBondContact O-CB 3.44Å; Q548-N552 PolarHBondContact O-N 2.99Å; Q548-N552 PolarHBondContact O-OD1 3.26Å
549A84.3Confident77.7Confident46 Ų4699.9 Ų99.938%0.3848%0.475SS..Hα-helixtrans-61.5-47.4172.300000111.5V545 D546 L551 N552 Q553V545-A549 WeakPolarHBondContact O-CB 3.4Å; V545-A549 PolarHBondContact O-N 3.35Å; D546-A549 PolarHBondContact O-N 3.29Å; A549-L551 PolarHBondContact O-N 3.16Å; A549-N552 PolarHBondContact O-N 2.93Å; A549-Q553 WeakPolarHBondContact O-CB 3.33Å; A549-Q553 VanDerWaalsContact O-CG 3.31Å; A549-Q553 WeakPolarHBondContact O-CG 3.41Å; A549-Q553 PolarHBondContact O-N 3.48Å
550K81.3Confident77.2Confident93 Ų93101.7 Ų101.740%0.40450%0.498SS..Hα-helixtrans-65.7-16.8175.6-68.7159.4-172.6157.40113D546 R547 R555D546-K550 VanDerWaalsContact O-CB 3.28Å; D546-K550 WeakPolarHBondContact O-CB 3.45Å; D546-K550 VanDerWaalsContact O-CD 3.29Å; D546-K550 WeakPolarHBondContact O-CD 3.45Å; D546-K550 WeakPolarHBondContact O-CG 3.43Å; D546-K550 PolarHBondContact O-N 3.47Å; D546-K550 IonicContact OD2-NZ 2.81Å; D546-K550 PolarHBondContact OD2-NZ 3.13Å; R547-K550 PolarHBondContact O-N 3.46Å; K550-R555 PolarHBondContact O-NH2 2.9Å
551L78.9Confident76.6Confident106 Ų106102.9 Ų102.956%0.55551%0.507SS*.Hα-helixtrans-86.4-45.4171.2-150.489.5000112.1R547 Q548 A549R547-L551 WeakPolarHBondContact O-CB 3.44Å; R547-L551 PolarHBondContact O-N 3.09Å; Q548-L551 WeakPolarHBondContact O-CB 3.41Å; Q548-L551 PolarHBondContact O-N 3.35Å; A549-L551 PolarHBondContact O-N 3.16Å
552N79.6Confident76Confident114 Ų11499.3 Ų99.361%0.6149%0.49SS*.Hα-helixtrans-75.6-22.5-177.4-69.6-1000113.3Q548 A549Q548-N552 PolarHBondContact NE2-OD1 2.87Å; Q548-N552 WeakPolarHBondContact O-CB 3.44Å; Q548-N552 PolarHBondContact O-N 2.99Å; Q548-N552 PolarHBondContact O-OD1 3.26Å; A549-N552 PolarHBondContact O-N 2.93Å
553Q80Confident75.8Confident120 Ų120101.6 Ų101.656%0.56150%0.5SS*.SBendtrans-52127178.1-91.8175.23.200111.6A549 R555A549-Q553 WeakPolarHBondContact O-CB 3.33Å; A549-Q553 VanDerWaalsContact O-CG 3.31Å; A549-Q553 WeakPolarHBondContact O-CG 3.41Å; A549-Q553 PolarHBondContact O-N 3.48Å; Q553-R555 WeakPolarHBondContact O-CG 3.44Å; Q553-R555 PolarHBondContact O-N 2.94Å
554P67.6Low75.5Confident129 Ų129102 Ų10284%0.83850%0.502SS*.  trans-71.788.9-175.628.5-35.2000111.4E556P554-E556 PolarHBondContact O-N 3.26Å
555R65.2Low75.2Confident180 Ų18098.4 Ų98.468%0.67948%0.483SS*.  trans-64.2121.1-178.6-59.4-176.8-175.7-169.1-1.2111.1K550 Q553 K557K550-R555 PolarHBondContact O-NH2 2.9Å; Q553-R555 WeakPolarHBondContact O-CG 3.44Å; Q553-R555 PolarHBondContact O-N 2.94Å; R555-K557 PolarHBondContact O-N 3.46Å
556E64.4Low75.1Confident142 Ų14297 Ų9766%0.66448%0.475SS*.  trans-51.7114.2166.9-77.9-162.814600109.6P554 K558P554-E556 PolarHBondContact O-N 3.26Å; E556-K558 PolarHBondContact O-N 3.2Å
557K61.7Low75.1Confident201 Ų20199.6 Ų99.687%0.87448%0.484SS*.  trans-76.369.2-179.8-68.6-177.6179.51760110.9R555 R559R555-K557 PolarHBondContact O-N 3.46Å; K557-R559 PolarHBondContact O-N 2.88Å; K557-R559 VanDerWaalsContact O-N 3.16Å
558K62.7Low75.1Confident113 Ų11394.9 Ų94.949%0.49147%0.466SS..  trans-47.1119175.2-66.3-174.7-179.1-1790110E556 E562 K563E556-K558 PolarHBondContact O-N 3.2Å; K558-E562 WeakPolarHBondContact CA-OE2 3.37Å; K558-K563 HydrophobicContact CB-CG 4.31Å; K558-K563 VanDerWaalsContact O-CE 3.28Å; K558-K563 WeakPolarHBondContact O-CE 3.39Å
559R69.4Low75.1Confident175 Ų17593.5 Ų93.566%0.6646%0.46SS*.  trans-65.5159.2-174.4-67-177.3169.1-148.7-3.1110.8K557 T561 E562 K563K557-R559 PolarHBondContact O-N 2.88Å; K557-R559 VanDerWaalsContact O-N 3.16Å; R559-T561 PolarHBondContact O-N 2.84Å; R559-E562 HydrophobicContact CB-CG 4.37Å; R559-E562 PolarHBondContact N-OE2 2.93Å; R559-E562 WeakPolarHBondContact O-CB 3.31Å; R559-E562 PolarHBondContact O-N 2.57Å; R559-K563 PolarHBondContact O-N 3.2Å
560G72.8Confident75.1Confident52 Ų5298.9 Ų98.954%0.53648%0.475SS..Hα-helixtrans-53.5-39.6179.100000113.4K563 L564G560-K563 PolarHBondContact O-N 3.13Å; G560-L564 WeakPolarHBondContact O-CG 3.19Å; G560-L564 PolarHBondContact O-N 3.29Å
561T70.2Confident75.1Confident39 Ų3996.2 Ų96.224%0.23947%0.465CS..Hα-helixtrans-60.3-45.5172.6-470000112.6T210 M406 R559 L564 I565T210-T561 HydrophobicContact CG2-CG2 4.29Å; M406-T561 HydrophobicContact CE-CG2 4.1Å; M406-T561 HydrophobicContact SD-CG2 3.92Å; R559-T561 PolarHBondContact O-N 2.84Å; T561-L564 PolarHBondContact O-N 2.7Å; T561-I565 HydrophobicContact CG2-CD1 4.05Å; T561-I565 WeakPolarHBondContact O-CG1 3.34Å; T561-I565 PolarHBondContact O-N 2.87Å
562E73.8Confident75.2Confident41 Ų4198.4 Ų98.419%0.19247%0.465CS..Hα-helixtrans-68.2-39.2-179.3-67.3158.518000110.9T210 K558 R559 L564 I565 T566T210-E562 HydrophobicContact CG2-CG 4.32Å; K558-E562 WeakPolarHBondContact CA-OE2 3.37Å; R559-E562 HydrophobicContact CB-CG 4.37Å; R559-E562 PolarHBondContact N-OE2 2.93Å; R559-E562 WeakPolarHBondContact O-CB 3.31Å; R559-E562 PolarHBondContact O-N 2.57Å; E562-L564 VanDerWaalsContact C-N 3.34Å; E562-L564 PolarHBondContact O-N 3.07Å; E562-I565 PolarHBondContact O-N 3.43Å; E562-T566 PolarHBondContact O-N 2.99Å; E562-T566 PolarHBondContact O-OG1 3.49Å; E562-T566 VanDerWaalsContact O-OG1 3.13Å
563K80.2Confident75.3Confident139 Ų13997.8 Ų97.860%0.60446%0.461SS*.Hα-helixtrans-60.5-40.9172.2-66.6-176-180-1750112.2K558 R559 G560 K567K558-K563 HydrophobicContact CB-CG 4.31Å; K558-K563 VanDerWaalsContact O-CE 3.28Å; K558-K563 WeakPolarHBondContact O-CE 3.39Å; R559-K563 PolarHBondContact O-N 3.2Å; G560-K563 PolarHBondContact O-N 3.13Å; K563-K567 WeakPolarHBondContact O-CB 3.38Å; K563-K567 PolarHBondContact O-N 2.91Å
564L77.3Confident75.3Confident37 Ų3794 Ų9419%0.19445%0.45CS..Hα-helixtrans-68-42175.5-75.3166.8000112.1M406 L409 K410 I413 G560 T561 E562 K567 A568M406-L564 HydrophobicContact SD-CD1 3.81Å; L409-L564 HydrophobicContact CD2-CB 4.29Å; K410-L564 HydrophobicContact CG-CD1 4.24Å; K410-L564 HydrophobicContact CG-CD2 4.23Å; I413-L564 HydrophobicContact CD1-CD2 4.26Å; G560-L564 WeakPolarHBondContact O-CG 3.19Å; G560-L564 PolarHBondContact O-N 3.29Å; T561-L564 PolarHBondContact O-N 2.7Å; E562-L564 VanDerWaalsContact C-N 3.34Å; E562-L564 PolarHBondContact O-N 3.07Å; L564-K567 PolarHBondContact O-N 3.25Å; L564-A568 WeakPolarHBondContact O-CB 3.48Å; L564-A568 PolarHBondContact O-N 3.23Å
565I78.9Confident75.9Confident5 Ų594.4 Ų94.43%0.02644%0.439CS..Hα-helixtrans-61.1-49.5174.7-70.2168.9000110.3T210 P217 T561 E562 K567 A568 E569T210-I565 HydrophobicContact CG2-CD1 4.26Å; P217-I565 HydrophobicContact CG-CG2 4.11Å; T561-I565 HydrophobicContact CG2-CD1 4.05Å; T561-I565 WeakPolarHBondContact O-CG1 3.34Å; T561-I565 PolarHBondContact O-N 2.87Å; E562-I565 PolarHBondContact O-N 3.43Å; I565-K567 VanDerWaalsContact C-N 3.3Å; I565-K567 PolarHBondContact O-N 3.5Å; I565-A568 WeakPolarHBondContact O-CB 3.32Å; I565-A568 PolarHBondContact O-N 3.28Å; I565-A568 VanDerWaalsContact O-N 3.11Å; I565-E569 HydrophobicContact CG2-CG 4.23Å; I565-E569 WeakPolarHBondContact O-CB 3.4Å; I565-E569 WeakPolarHBondContact O-CG 3.49Å; I565-E569 PolarHBondContact O-N 3.2Å
566T81.8Confident76.4Confident70 Ų7089.9 Ų89.943%0.42943%0.432SS..Hα-helixtrans-62.8-34.9177.3-57.70000112.5E562 K570E562-T566 PolarHBondContact O-N 2.99Å; E562-T566 PolarHBondContact O-OG1 3.49Å; E562-T566 VanDerWaalsContact O-OG1 3.13Å; T566-K570 WeakPolarHBondContact O-CB 3.26Å; T566-K570 PolarHBondContact O-N 3.08Å
567K83.3Confident76.8Confident107 Ų10789.2 Ų89.247%0.46543%0.429SS..Hα-helixtrans-65.8-42.2172.7-172.1175.1178.2-1740111.5I413 K563 L564 I565 K570 I571I413-K567 HydrophobicContact CG2-CD 3.88Å; K563-K567 WeakPolarHBondContact O-CB 3.38Å; K563-K567 PolarHBondContact O-N 2.91Å; L564-K567 PolarHBondContact O-N 3.25Å; I565-K567 VanDerWaalsContact C-N 3.3Å; I565-K567 PolarHBondContact O-N 3.5Å; K567-K570 PolarHBondContact O-N 3.45Å; K567-I571 HydrophobicContact CG-CD1 3.94Å; K567-I571 WeakPolarHBondContact O-CB 3.41Å; K567-I571 VanDerWaalsContact O-CG1 3.29Å; K567-I571 WeakPolarHBondContact O-CG1 3.39Å; K567-I571 PolarHBondContact O-N 2.99Å
568A80.5Confident77.4Confident0 Ų086 Ų860%042%0.417CS..Hα-helixtrans-65.6-43.317600000112.5L219 L409 I413 L564 I565 K570 I571 R572L219-A568 HydrophobicContact CD1-CB 4.01Å; L219-A568 HydrophobicContact CG-CB 4.28Å; L409-A568 HydrophobicContact CD1-CB 3.94Å; L409-A568 HydrophobicContact CD2-CB 4.41Å; I413-A568 HydrophobicContact CD1-CB 4.25Å; L564-A568 WeakPolarHBondContact O-CB 3.48Å; L564-A568 PolarHBondContact O-N 3.23Å; I565-A568 WeakPolarHBondContact O-CB 3.32Å; I565-A568 PolarHBondContact O-N 3.28Å; I565-A568 VanDerWaalsContact O-N 3.11Å; A568-K570 PolarHBondContact O-N 3.28Å; A568-I571 PolarHBondContact O-N 3.14Å; A568-R572 WeakPolarHBondContact O-CB 3.48Å; A568-R572 PolarHBondContact O-N 3.16Å
569E82.9Confident77.7Confident54 Ų5484.8 Ų84.825%0.25243%0.427SS..Hα-helixtrans-57.4-47173.5-72174.1149.200110.6K214 P217 I565 R572 L573K214-E569 IonicContact NZ-OE1 2.69Å; K214-E569 PolarHBondContact NZ-OE1 3.15Å; K214-E569 IonicContact NZ-OE2 2.69Å; K214-E569 PolarHBondContact NZ-OE2 2.86Å; P217-E569 HydrophobicContact CG-CG 4.27Å; I565-E569 HydrophobicContact CG2-CG 4.23Å; I565-E569 WeakPolarHBondContact O-CB 3.4Å; I565-E569 WeakPolarHBondContact O-CG 3.49Å; I565-E569 PolarHBondContact O-N 3.2Å; E569-R572 PolarHBondContact O-N 3.09Å; E569-L573 WeakPolarHBondContact O-CG 3.35Å; E569-L573 PolarHBondContact O-N 2.77Å
570K84.6Confident77.5Confident159 Ų15980.4 Ų80.469%0.69142%0.424SS*.Hα-helixtrans-64.8-42.9177-172.2176.3-179.6-178.90112.9T566 K567 A568 L573 A574T566-K570 WeakPolarHBondContact O-CB 3.26Å; T566-K570 PolarHBondContact O-N 3.08Å; K567-K570 PolarHBondContact O-N 3.45Å; A568-K570 PolarHBondContact O-N 3.28Å; K570-L573 PolarHBondContact O-N 2.81Å; K570-A574 WeakPolarHBondContact O-CB 3.5Å; K570-A574 PolarHBondContact O-N 2.84Å
571I82.3Confident77.3Confident38 Ų3885.8 Ų85.820%0.19543%0.433CS..Hα-helixtrans-62.2-43.6176.6-73166.5000110.7I413 I416 K567 A568 A574 K575I413-I571 HydrophobicContact CG1-CD1 4.15Å; I413-I571 HydrophobicContact CG2-CD1 4.12Å; I416-I571 HydrophobicContact CD1-CG2 4.02Å; I416-I571 HydrophobicContact CG2-CG2 3.99Å; K567-I571 HydrophobicContact CG-CD1 3.94Å; K567-I571 WeakPolarHBondContact O-CB 3.41Å; K567-I571 VanDerWaalsContact O-CG1 3.29Å; K567-I571 WeakPolarHBondContact O-CG1 3.39Å; K567-I571 PolarHBondContact O-N 2.99Å; A568-I571 PolarHBondContact O-N 3.14Å; I571-A574 PolarHBondContact O-N 3.34Å; I571-K575 PolarHBondContact O-N 3.45Å
572R80.4Confident76.5Confident152 Ų15292.5 Ų92.557%0.57446%0.461SS*.Hα-helixtrans-61.9-46.6177.2-164.6-174.875.4168.15.2111.3L219 A568 E569 A574 K575 T576L219-R572 HydrophobicContact CD2-CB 4.09Å; A568-R572 WeakPolarHBondContact O-CB 3.48Å; A568-R572 PolarHBondContact O-N 3.16Å; E569-R572 PolarHBondContact O-N 3.09Å; R572-A574 PolarHBondContact O-N 3.25Å; R572-K575 PolarHBondContact O-N 3.16Å; R572-T576 PolarHBondContact O-N 2.95Å; R572-T576 PolarHBondContact O-OG1 2.86Å; R572-T576 VanDerWaalsContact O-OG1 3.12Å
573L80.9Confident75.8Confident100 Ų10097 Ų9752%0.52449%0.485SS..Hα-helixtrans-60.6-43.3176.9-73.9167.8000112.1E569 K570 T576 Q577E569-L573 WeakPolarHBondContact O-CG 3.35Å; E569-L573 PolarHBondContact O-N 2.77Å; K570-L573 PolarHBondContact O-N 2.81Å; L573-T576 PolarHBondContact O-N 3.33Å; L573-Q577 WeakPolarHBondContact O-CB 3.4Å; L573-Q577 WeakPolarHBondContact O-CG 3.46Å; L573-Q577 PolarHBondContact O-N 3.46Å
574A81.3Confident74.3Confident40 Ų40101.8 Ų101.833%0.33150%0.499SS..Hα-helixtrans-61.6-44.4176.200000112.1K570 I571 R572 T576 Q577 Q578K570-A574 WeakPolarHBondContact O-CB 3.5Å; K570-A574 PolarHBondContact O-N 2.84Å; I571-A574 PolarHBondContact O-N 3.34Å; R572-A574 PolarHBondContact O-N 3.25Å; A574-T576 PolarHBondContact O-N 3.15Å; A574-Q577 PolarHBondContact O-N 3.05Å; A574-Q578 WeakPolarHBondContact O-CG 3.35Å; A574-Q578 PolarHBondContact O-N 2.96Å
575K78.6Confident72.9Confident138 Ų138108.5 Ų108.560%0.653%0.527SS*.Hα-helixtrans-66.7-35.7176.9-170.8157.1-174.3156.10112.5I571 R572 A579I571-K575 PolarHBondContact O-N 3.45Å; R572-K575 PolarHBondContact O-N 3.16Å; K575-A579 WeakPolarHBondContact O-CB 3.47Å; K575-A579 PolarHBondContact O-N 3.15Å
576T75.5Confident71.5Confident85 Ų85113.3 Ų113.352%0.52156%0.561SS.*Hα-helixtrans-64.4-43.2170.4-60.10000111.5R572 L573 A574 Q578 A579 S580R572-T576 PolarHBondContact O-N 2.95Å; R572-T576 PolarHBondContact O-OG1 2.86Å; R572-T576 VanDerWaalsContact O-OG1 3.12Å; L573-T576 PolarHBondContact O-N 3.33Å; A574-T576 PolarHBondContact O-N 3.15Å; T576-Q578 PolarHBondContact O-N 3.28Å; T576-A579 PolarHBondContact O-N 2.98Å; T576-S580 PolarHBondContact O-N 3.18Å; T576-S580 PolarHBondContact O-OG 3.38Å
577Q74.9Confident69.8Low129 Ų129118.7 Ų118.760%0.60358%0.581SS**Hα-helixtrans-64.7-37.2177.2-76.6175.2-26.700112.8L573 A574 S580 K581L573-Q577 WeakPolarHBondContact O-CB 3.4Å; L573-Q577 WeakPolarHBondContact O-CG 3.46Å; L573-Q577 PolarHBondContact O-N 3.46Å; A574-Q577 PolarHBondContact O-N 3.05Å; Q577-S580 WeakPolarHBondContact CA-OG 3.43Å; Q577-S580 PolarHBondContact O-OG 3.32Å; Q577-K581 PolarHBondContact O-N 3.25Å
578Q73.8Confident68.2Low133 Ų133124.2 Ų124.262%0.62160%0.601SS**Hα-helixtrans-64.1-48.6171.5-73.5170.4-5600111A574 T576 S580 K581A574-Q578 WeakPolarHBondContact O-CG 3.35Å; A574-Q578 PolarHBondContact O-N 2.96Å; T576-Q578 PolarHBondContact O-N 3.28Å; Q578-S580 PolarHBondContact O-N 3.04Å; Q578-K581 WeakPolarHBondContact O-CB 3.2Å; Q578-K581 PolarHBondContact O-N 3.05Å; Q578-K581 VanDerWaalsContact O-N 3.07Å
579A67.9Low66.4Low87 Ų87135.9 Ų135.972%0.71966%0.663SS**Hα-helixtrans-65.3-23.5178.400000113.9K575 T576K575-A579 WeakPolarHBondContact O-CB 3.47Å; K575-A579 PolarHBondContact O-N 3.15Å; T576-A579 PolarHBondContact O-N 2.98Å
580S66.7Low65.6Low84 Ų84140 Ų14059%0.58768%0.684SS**THydrogen-bonded Turntrans-84.2-5.6173.660.60000114.3T576 Q577 Q578 H582T576-S580 PolarHBondContact O-N 3.18Å; T576-S580 PolarHBondContact O-OG 3.38Å; Q577-S580 WeakPolarHBondContact CA-OG 3.43Å; Q577-S580 PolarHBondContact O-OG 3.32Å; Q578-S580 PolarHBondContact O-N 3.04Å; S580-H582 PolarHBondContact O-N 2.78Å; S580-H582 VanDerWaalsContact O-N 3.13Å
581K68.7Low64.6Low165 Ų165139 Ų13972%0.71768%0.683SS**SBendtrans-73104.1169.5-69.9-172.7176.2-170.20108.5Q577 Q578 I583Q577-K581 PolarHBondContact O-N 3.25Å; Q578-K581 WeakPolarHBondContact O-CB 3.2Å; Q578-K581 PolarHBondContact O-N 3.05Å; Q578-K581 VanDerWaalsContact O-N 3.07Å; K581-I583 PolarHBondContact O-N 3.01Å
582H51.6Low63.6Low180 Ų180144.6 Ų144.683%0.83371%0.711SS**  trans-55136171.8-108.862.8000110.6S580 R584S580-H582 PolarHBondContact O-N 2.78Å; S580-H582 VanDerWaalsContact O-N 3.13Å; H582-R584 PolarHBondContact O-N 2.91Å; H582-R584 VanDerWaalsContact O-N 3.15Å
583I60.1Low62.6Low134 Ų134144.2 Ų144.269%0.68772%0.719SS**  trans-69.2109.1165.1-60.8174.9000106.2K581 F585K581-I583 PolarHBondContact O-N 3.01Å; I583-F585 HydrophobicContact CG2-CD2 4.22Å; I583-F585 HydrophobicContact CG2-CE2 4.06Å; I583-F585 HydrophobicContact CG2-CZ 4.43Å; I583-F585 PolarHBondContact O-N 3.09Å
584R48.1Very low61.4Low241 Ų241146.9 Ų146.991%0.90973%0.731SS**  trans-82.999.8171.1-161.5-179.9-160.5174.55.1106.8H582 S586H582-R584 PolarHBondContact O-N 2.91Å; H582-R584 VanDerWaalsContact O-N 3.15Å; R584-S586 PolarHBondContact O-N 3.36Å
585F48.8Very low60.1Low178 Ų178154.1 Ų154.178%0.78176%0.758SS**  trans-59.6129.8166.6-74.6-90.8000108.1I583I583-F585 HydrophobicContact CG2-CD2 4.22Å; I583-F585 HydrophobicContact CG2-CE2 4.06Å; I583-F585 HydrophobicContact CG2-CZ 4.43Å; I583-F585 PolarHBondContact O-N 3.09Å
586S48.6Very low58.8Low106 Ų106155.2 Ų155.274%0.74177%0.769SS**  trans-81.7115170.445.90000108.3R584 Y588R584-S586 PolarHBondContact O-N 3.36Å; S586-Y588 PolarHBondContact O-N 2.59Å
587E47.4Very low57.5Low183 Ų183160.6 Ų160.686%0.85579%0.788SS**SBendtrans-71.780.2171.5-65.9173.6135.900109.7
588Y48.3Very low56Low222 Ų222163.3 Ų163.387%0.87180%0.803SS**  trans-161.992159.9-86.1-60.5000108.7S586S586-Y588 PolarHBondContact O-N 2.59Å
589D42.8Very low54.4Low246 Ų246166 Ų166100%1.31682%0.82SS**  trans-94.90153.1-79.6-48.3000108.3

Retrieved 589 of 589 residues in 139.6 ms (Link to these results)

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