A0A087Y830_POEFO Loading...

Large ribosomal subunit protein uL23m

AlphaFold DB , UniProt , Accession A0A087Y830, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 154 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
1M43Very low74Confident227 Ų227130.3 Ų130.3100%1.11868%0.683SS**  01180-69.2-159.9-100.600107.8V3M1-V3 PolarHBondContact O-N 3.46Å; M1-V3 VanDerWaalsContact O-N 3.17Å
2S42.1Very low75.9Confident116 Ų116129.9 Ų129.981%0.81168%0.675SS**  trans-65.5108.9175.2168.70000108.2T4S2-T4 PolarHBondContact O-N 3.24Å
3V55.9Low77.6Confident83 Ų83133.2 Ų133.250%0.50369%0.692SS.*  trans-70113170.8-177.60000106.1M1 K5M1-V3 PolarHBondContact O-N 3.46Å; M1-V3 VanDerWaalsContact O-N 3.17Å; V3-K5 PolarHBondContact O-N 3.11Å; V3-K5 VanDerWaalsContact O-N 3.08Å
4T57.6Low79Confident103 Ų103128.8 Ų128.863%0.63270%0.696SS**  trans-60.2112.7170.733.80000108.1S2 M6S2-T4 PolarHBondContact O-N 3.24Å; T4-M6 PolarHBondContact O-N 2.97Å; T4-M6 VanDerWaalsContact O-N 3.08Å
5K71.3Confident80.2Confident184 Ų184124.4 Ų124.480%0.867%0.672SS**  trans-70.7105.2-179.2-163.5174.3-176.1-1800108.4V3 V7V3-K5 PolarHBondContact O-N 3.11Å; V3-K5 VanDerWaalsContact O-N 3.08Å; K5-V7 PolarHBondContact O-N 3.08Å
6M77.8Confident81.2Confident88 Ų88123.8 Ų123.843%0.43368%0.676SS.*PPolyproline II helixtrans-63.8131.8173.2-89.7-178.6178.800109.7T4T4-M6 PolarHBondContact O-N 2.97Å; T4-M6 VanDerWaalsContact O-N 3.08Å
7V88.3Confident82.1Confident140 Ų140125.2 Ų125.285%0.84868%0.677SS**PPolyproline II helixtrans-88.5118.5169-178.50000107.4K5K5-V7 PolarHBondContact O-N 3.08Å
8Y91.5Very high82.8Confident110 Ų110122.8 Ų122.843%0.43166%0.663SS.*PPolyproline II helixtrans-82138.2176.9-71.4-82000110.5L18 I20 W25Y8-L18 HydrophobicContact CD1-CD2 3.79Å; Y8-L18 HydrophobicContact CE1-CD2 4.2Å; Y8-I20 HydrophobicContact CE1-CD1 3.92Å; Y8-W25 WeakPolarHBondContact OH-CZ2 3.17Å
9P94.7Very high83.4Confident96 Ų96125.9 Ų125.962%0.62367%0.665SS**PPolyproline II helixtrans-67142.3174.729.5-34.3000110.2Y11 L18P9-Y11 PolarHBondContact O-N 3.27Å; P9-L18 HydrophobicContact CG-CD1 3.71Å
10L95.4Very high83.9Confident142 Ų142122.9 Ų122.974%0.74365%0.648SS**PPolyproline II helixtrans-65.6130.6176.7-178.265.2000110N15L10-N15 PolarHBondContact O-ND2 2.9Å
11Y96.8Very high84.4Confident144 Ų144125.3 Ų125.357%0.56565%0.653SS**PPolyproline II helixtrans-87.9132174-178.1-97.3000110.9P9 N15P9-Y11 PolarHBondContact O-N 3.27Å; Y11-N15 HydrophobicContact CD2-CB 3.84Å; Y11-N15 HydrophobicContact CE2-CB 3.78Å
12Q97.1Very high86.7Confident126 Ų126124.9 Ų124.959%0.58964%0.64SS**  trans-122155.2168.6-66.2-179.1-20.200109.1G14 N15Q12-G14 PolarHBondContact O-N 3.35Å; Q12-N15 PolarHBondContact N-ND2 3.48Å; Q12-N15 WeakPolarHBondContact O-CB 3.19Å; Q12-N15 VanDerWaalsContact O-CG 3.32Å; Q12-N15 PolarHBondContact O-N 2.88Å
13L97.4Very high89Confident172 Ų172121.5 Ų121.590%0.90162%0.615SS**THydrogen-bonded Turntrans-59127.6-179.6-176.265.9000110.4
14G96.9Very high90.7Very high72 Ų72119.2 Ų119.274%0.74260%0.603SS**THydrogen-bonded Turntrans92.3-8.3-175.500000114.6Q12Q12-G14 PolarHBondContact O-N 3.35Å
15N96.6Very high92.3Very high63 Ų63115.5 Ų115.534%0.33758%0.577SS.*PPolyproline II helixtrans-64.3152.3173.5-75.93.5000111.6L10 Y11 Q12L10-N15 PolarHBondContact O-ND2 2.9Å; Y11-N15 HydrophobicContact CD2-CB 3.84Å; Y11-N15 HydrophobicContact CE2-CB 3.78Å; Q12-N15 PolarHBondContact N-ND2 3.48Å; Q12-N15 WeakPolarHBondContact O-CB 3.19Å; Q12-N15 VanDerWaalsContact O-CG 3.32Å; Q12-N15 PolarHBondContact O-N 2.88Å
16P97.3Very high93.2Very high114 Ų114114.2 Ų114.274%0.7457%0.572SS**PPolyproline II helixtrans-62.9156.7174.427.8-35.7000111.6L18P16-L18 PolarHBondContact O-N 3.18Å
17Q96.1Very high94Very high148 Ų148111.7 Ų111.769%0.69256%0.559SS**PPolyproline II helixtrans-59.1131.2175178.458.147.700111.1R19Q17-R19 PolarHBondContact O-N 2.77Å
18L94.9Very high94.4Very high82 Ų82108.9 Ų108.943%0.42954%0.543SS..PPolyproline II helixtrans-61.9127.9172.4178.467.6000110.3Y8 P9 P16Y8-L18 HydrophobicContact CD1-CD2 3.79Å; Y8-L18 HydrophobicContact CE1-CD2 4.2Å; P9-L18 HydrophobicContact CG-CD1 3.71Å; P16-L18 PolarHBondContact O-N 3.18Å
19R95Very high94.6Very high182 Ų182106.9 Ų106.969%0.68754%0.539SS*.  trans-126.6132.2177.6-62.8-179.4-174.1-159.81110.2Q17 F21Q17-R19 PolarHBondContact O-N 2.77Å; R19-F21 HydrophobicContact CB-CE2 4.08Å; R19-F21 HydrophobicContact CB-CZ 4.17Å
20I93.4Very high94.7Very high65 Ų65103.9 Ų103.933%0.33352%0.519SS..  trans-112.1107.5176.4-54.7172.7000107.1Y8 P23 W25Y8-I20 HydrophobicContact CE1-CD1 3.92Å; I20-P23 HydrophobicContact CG2-CB 4.17Å; I20-W25 HydrophobicContact CD1-CH2 3.83Å; I20-W25 HydrophobicContact CD1-CZ2 4.44Å
21F93.4Very high94.7Very high174 Ų174103.4 Ų103.476%0.76351%0.507SS*.SBendtrans-82.7-31.5-178.5-65.8-79.9000113R19R19-F21 HydrophobicContact CB-CE2 4.08Å; R19-F21 HydrophobicContact CB-CZ 4.17Å
22R91.5Very high94.7Very high219 Ų21998.9 Ų98.983%0.82650%0.495SS*.SBendtrans-131.978.7-176.1-68.8-179.160.5-164.7-2.4110
23P90.9Very high94.5Very high45 Ų4596.6 Ų96.629%0.29251%0.506SS..  trans-63.3137.8177.726.7-33.1000110.3I20 W25 Y57 I61I20-P23 HydrophobicContact CG2-CB 4.17Å; P23-W25 VanDerWaalsContact C-N 3.31Å; P23-W25 HydrophobicContact CB-CD2 4.32Å; P23-W25 HydrophobicContact CB-CE3 3.8Å; P23-W25 HydrophobicContact CB-CZ3 4.26Å; P23-Y57 HydrophobicContact CB-CE2 4.39Å; P23-Y57 HydrophobicContact CG-CD2 4.39Å; P23-Y57 HydrophobicContact CG-CE2 4.01Å; P23-I61 HydrophobicContact CG-CD1 4.48Å
24S90.3Very high94.3Very high35 Ų3596.9 Ų96.925%0.24550%0.5CS..  trans-93.314.9176.5570000113.1
25W90.8Very high94.1Very high25 Ų25102.8 Ų102.810%0.09551%0.508CS..  trans-87.1145.4-176.6-56.3-42.1000112Y8 I20 P23 L27 P46 M49 D53 Y57Y8-W25 WeakPolarHBondContact OH-CZ2 3.17Å; I20-W25 HydrophobicContact CD1-CH2 3.83Å; I20-W25 HydrophobicContact CD1-CZ2 4.44Å; P23-W25 VanDerWaalsContact C-N 3.31Å; P23-W25 HydrophobicContact CB-CD2 4.32Å; P23-W25 HydrophobicContact CB-CE3 3.8Å; P23-W25 HydrophobicContact CB-CZ3 4.26Å; W25-L27 HydrophobicContact CB-CD1 4.47Å; W25-P46 HydrophobicContact CB-CG 4.11Å; W25-P46 HydrophobicContact CG-CG 4.24Å; W25-M49 HydrophobicContact CB-SD 4.42Å; W25-M49 HydrophobicContact CD2-CE 4.38Å; W25-M49 HydrophobicContact CD2-CG 4.37Å; W25-M49 HydrophobicContact CE3-CE 3.82Å; W25-M49 HydrophobicContact CZ3-CE 4.35Å; W25-D53 HydrophobicContact CH2-CB 3.92Å; W25-D53 HydrophobicContact CZ3-CB 3.87Å; W25-Y57 HydrophobicContact CE3-CD2 4.31Å
26F92.2Very high94Very high157 Ų157103.5 Ų103.569%0.68951%0.51SS*.  trans-122.6122.5174.2-59.3-78.1000109.4P46F26-P46 WeakPolarHBondContact O-CD 3.47Å
27L94.2Very high93.9Very high34 Ų34101.3 Ų101.318%0.17850%0.495CS..  trans-102.9134174.1-70.471.9000108.5W25 I45 M49 V54 Y57 L58W25-L27 HydrophobicContact CB-CD1 4.47Å; L27-I45 HydrophobicContact CD2-CG2 4.15Å; L27-I45 HydrophobicContact CG-CG2 3.93Å; L27-M49 HydrophobicContact CD1-CE 3.77Å; L27-M49 HydrophobicContact CD1-SD 3.76Å; L27-M49 HydrophobicContact CD2-CE 4.29Å; L27-M49 HydrophobicContact CD2-SD 4.4Å; L27-M49 HydrophobicContact CG-CE 4.43Å; L27-M49 HydrophobicContact CG-SD 4.15Å; L27-V54 HydrophobicContact CD2-CG1 4.38Å; L27-Y57 HydrophobicContact CD1-CD1 3.64Å; L27-Y57 HydrophobicContact CD1-CD2 4.42Å; L27-Y57 HydrophobicContact CD1-CE1 3.44Å; L27-Y57 VanDerWaalsContact CD1-CE1 3.44Å; L27-Y57 HydrophobicContact CD1-CE2 4.27Å; L27-Y57 HydrophobicContact CD1-CG 4.15Å; L27-Y57 HydrophobicContact CD2-CD1 3.9Å; L27-Y57 HydrophobicContact CD2-CE1 4.26Å; L27-Y57 HydrophobicContact CG-CD1 4.36Å; L27-Y57 HydrophobicContact CG-CE1 4.3Å; L27-L58 HydrophobicContact CD2-CD2 4.48Å
28T96Very high93.8Very high81 Ų8198.1 Ų98.150%0.49749%0.487SS..EExtended strand (participates in β ladder)trans-114.5120.9175.7-47.40000108.9V30 F43 R44T28-V30 HydrophobicContact CG2-CG2 4.23Å; T28-F43 CarbonylContact O-C 3.51Å; T28-F43 VanDerWaalsContact O-CA 3.32Å; T28-F43 WeakPolarHBondContact O-CA 3.42Å; T28-R44 PolarHBondContact N-O 2.88Å; T28-R44 PolarHBondContact O-N 3.14Å
29L96.5Very high93.9Very high68 Ų6896.5 Ų96.536%0.35648%0.479SS..EExtended strand (participates in β ladder)trans-74.3129.5172.5-176.4137.7000108.9V41 F43 F106 F108L29-V41 HydrophobicContact CD1-CG1 3.85Å; L29-V41 HydrophobicContact CG-CG1 4.46Å; L29-F43 HydrophobicContact CB-CD1 4Å; L29-F43 HydrophobicContact CB-CE1 3.8Å; L29-F43 HydrophobicContact CD1-CE1 3.74Å; L29-F43 HydrophobicContact CD1-CZ 3.89Å; L29-F43 HydrophobicContact CG-CE1 4.13Å; L29-F106 HydrophobicContact CD1-CE1 4.21Å; L29-F106 HydrophobicContact CD1-CZ 3.82Å; L29-F106 HydrophobicContact CD2-CE1 4.45Å; L29-F106 HydrophobicContact CD2-CZ 4.1Å; L29-F108 HydrophobicContact CD2-CD2 3.47Å; L29-F108 VanDerWaalsContact CD2-CD2 3.47Å; L29-F108 HydrophobicContact CD2-CE2 3.25Å; L29-F108 HydrophobicContact CD2-CZ 4.22Å; L29-F108 HydrophobicContact CG-CE2 4.44Å
30V96.4Very high93.9Very high33 Ų3388.6 Ų88.620%0.245%0.451CS..  trans-130.5138.2-172.5179.90000110.1T28 Q42 R44T28-V30 HydrophobicContact CG2-CG2 4.23Å; V30-Q42 PolarHBondContact N-O 2.96Å; V30-R44 HydrophobicContact CG2-CB 4.34Å; V30-R44 HydrophobicContact CG2-CG 3.76Å
31R95.8Very high94.1Very high133 Ų13385.9 Ų85.950%0.50244%0.438SS..  trans-59.4129.8173.9-174.9-176.6-68.6-96.21.9109.8G33 F108R31-G33 PolarHBondContact O-N 2.85Å; R31-F108 HydrophobicContact CB-CD1 4.13Å; R31-F108 HydrophobicContact CB-CD2 3.94Å; R31-F108 HydrophobicContact CB-CE1 4.28Å; R31-F108 HydrophobicContact CB-CE2 4.03Å; R31-F108 HydrophobicContact CB-CG 3.99Å; R31-F108 HydrophobicContact CB-CZ 4.24Å; R31-F108 HydrophobicContact CG-CB 4.47Å; R31-F108 HydrophobicContact CG-CD1 4.37Å; R31-F108 HydrophobicContact CG-CG 4.26Å
32P95.7Very high94.3Very high48 Ų4878.9 Ų78.931%0.31241%0.407SS..  trans-64.8135.8177.528.4-34.8000110.2Q36P32-Q36 HydrophobicContact CB-CG 3.83Å
33G92.8Very high94.6Very high79 Ų7969.6 Ų69.681%0.81437%0.373SS*.SBendtrans-83.7-12.7-178.900000114.2R31R31-G33 PolarHBondContact O-N 2.85Å
34K94.1Very high94.9Very high177 Ų17772.4 Ų72.477%0.7738%0.378SS*.SBendtrans-130.2159.6172-68.2-171.1175.4-170.50107.7Q36K34-Q36 PolarHBondContact O-N 2.81Å
35E93.1Very high95.3Very high196 Ų19671.1 Ų71.192%0.91637%0.368SS*.  trans-54.3131.2172.1-64.7177.4-177.100109.9
36Q94.2Very high95.4Very high79 Ų7971.4 Ų71.437%0.36937%0.373SS..  trans-126154.4176-68.1-61.4-72.300107.9P32 K34P32-Q36 HydrophobicContact CB-CG 3.83Å; K34-Q36 PolarHBondContact O-N 2.81Å
37P95Very high95.5Very high67 Ų6767.7 Ų67.744%0.43536%0.359SS..  trans-53.8146.9169.6-26.937.8000111.4D39 T40P37-D39 WeakPolarHBondContact CB-OD1 3.46Å; P37-D39 PolarHBondContact O-N 2.86Å; P37-D39 VanDerWaalsContact O-N 3.14Å; P37-T40 WeakPolarHBondContact O-CB 3.47Å; P37-T40 PolarHBondContact O-N 3.3Å
38P94.6Very high95.4Very high81 Ų8170.7 Ų70.753%0.52638%0.375SS..THydrogen-bonded Turntrans-67.7-15.8-173.328.5-36.4000113.6T40 T105 F106P38-T40 VanDerWaalsContact C-N 3.31Å; P38-T105 HydrophobicContact CB-CG2 4.04Å; P38-T105 HydrophobicContact CG-CG2 4.34Å; P38-T105 CarbonylContact O-C 3.59Å; P38-T105 WeakPolarHBondContact O-CA 3.22Å; P38-F106 PolarHBondContact O-N 2.86Å
39D95.5Very high95.3Very high49 Ų4966.9 Ų66.926%0.26235%0.352SS..THydrogen-bonded Turntrans-83.2-7.9174.168-11000112.9P37 Q99 L100P37-D39 WeakPolarHBondContact CB-OD1 3.46Å; P37-D39 PolarHBondContact O-N 2.86Å; P37-D39 VanDerWaalsContact O-N 3.14Å; D39-Q99 WeakPolarHBondContact O-CA 3.39Å; D39-L100 PolarHBondContact O-N 3.15Å
40T96.3Very high95.3Very high16 Ų1666.6 Ų66.610%0.09835%0.353CS..EExtended strand (participates in β ladder)trans-106.1116.2-168.2-60.30000111.3P37 P38 Y97 V98P37-T40 WeakPolarHBondContact O-CB 3.47Å; P37-T40 PolarHBondContact O-N 3.3Å; P38-T40 VanDerWaalsContact C-N 3.31Å; T40-Y97 HydrophobicContact CG2-CD1 4.43Å; T40-V98 WeakPolarHBondContact CA-O 3.17Å
41V97.1Very high95.4Very high8 Ų869.6 Ų69.65%0.04836%0.363CS..EExtended strand (participates in β ladder)trans-105.8138.5178.8-170.80000110.5L29 F43 V98 L100 F106L29-V41 HydrophobicContact CD1-CG1 3.85Å; L29-V41 HydrophobicContact CG-CG1 4.46Å; V41-F43 HydrophobicContact CB-CE2 3.91Å; V41-F43 HydrophobicContact CG1-CD2 4.16Å; V41-F43 HydrophobicContact CG1-CE2 3.46Å; V41-F43 VanDerWaalsContact CG1-CE2 3.46Å; V41-F43 HydrophobicContact CG1-CZ 3.73Å; V41-V98 PolarHBondContact N-O 3.08Å; V41-V98 PolarHBondContact O-N 2.84Å; V41-L100 HydrophobicContact CG2-CD1 4Å; V41-L100 HydrophobicContact CG2-CD2 4.29Å; V41-L100 HydrophobicContact CG2-CG 4.05Å; V41-F106 HydrophobicContact CB-CD1 4.39Å; V41-F106 HydrophobicContact CG1-CD1 4.03Å; V41-F106 HydrophobicContact CG1-CE1 4.02Å; V41-F106 HydrophobicContact CG2-CB 3.8Å; V41-F106 HydrophobicContact CG2-CD1 3.63Å; V41-F106 HydrophobicContact CG2-CE1 4.44Å; V41-F106 HydrophobicContact CG2-CG 3.81Å
42Q97.8Very high95.4Very high27 Ų2770.5 Ų70.513%0.12637%0.368CS..EExtended strand (participates in β ladder)trans-105.8127.9-179.6-170.1177.2-19.800111.9V30 V95 A96 Y97V30-Q42 PolarHBondContact N-O 2.96Å; Q42-V95 HydrophobicContact CG-CG1 3.8Å; Q42-A96 WeakPolarHBondContact CA-O 3.47Å; Q42-Y97 HydrophobicContact CG-CD1 4.48Å; Q42-Y97 HydrophobicContact CG-CE1 4.27Å
43F97.9Very high95.5Very high23 Ų2370 Ų7010%0.10136%0.362CS..EExtended strand (participates in β ladder)trans-121.4151174.6-63.8-90.3000111.7T28 L29 V41 I45 L58 V95 A96 V98T28-F43 CarbonylContact O-C 3.51Å; T28-F43 VanDerWaalsContact O-CA 3.32Å; T28-F43 WeakPolarHBondContact O-CA 3.42Å; L29-F43 HydrophobicContact CB-CD1 4Å; L29-F43 HydrophobicContact CB-CE1 3.8Å; L29-F43 HydrophobicContact CD1-CE1 3.74Å; L29-F43 HydrophobicContact CD1-CZ 3.89Å; L29-F43 HydrophobicContact CG-CE1 4.13Å; V41-F43 HydrophobicContact CB-CE2 3.91Å; V41-F43 HydrophobicContact CG1-CD2 4.16Å; V41-F43 HydrophobicContact CG1-CE2 3.46Å; V41-F43 VanDerWaalsContact CG1-CE2 3.46Å; V41-F43 HydrophobicContact CG1-CZ 3.73Å; F43-I45 HydrophobicContact CB-CG2 4.09Å; F43-L58 HydrophobicContact CE2-CD1 4.12Å; F43-L58 HydrophobicContact CZ-CD1 4.34Å; F43-L58 HydrophobicContact CZ-CD2 4.27Å; F43-V95 WeakPolarHBondContact O-CA 3.07Å; F43-A96 HydrophobicContact CB-CB 4.38Å; F43-A96 PolarHBondContact N-O 2.85Å; F43-A96 PolarHBondContact O-N 3.04Å; F43-V98 HydrophobicContact CD2-CB 4.28Å; F43-V98 HydrophobicContact CD2-CG2 3.68Å; F43-V98 HydrophobicContact CE2-CB 4.13Å; F43-V98 HydrophobicContact CE2-CG2 3.92Å
44R97.6Very high95.7Very high105 Ų10566.2 Ų66.240%0.39632%0.324SS..EExtended strand (participates in β ladder)trans-98.2130.5159-70.4-178.4-177.3-176.50.8108.6T28 V30 Y93 K94T28-R44 PolarHBondContact N-O 2.88Å; T28-R44 PolarHBondContact O-N 3.14Å; V30-R44 HydrophobicContact CG2-CB 4.34Å; V30-R44 HydrophobicContact CG2-CG 3.76Å; R44-Y93 HydrophobicContact CG-CD2 3.94Å; R44-Y93 HydrophobicContact CG-CE2 4.17Å; R44-K94 WeakPolarHBondContact CA-O 3.47Å
45I96.9Very high95.9Very high8 Ų861.2 Ų61.24%0.04130%0.302CS..EExtended strand (participates in β ladder)trans-129.9156.9-175.467.9172.7000109.8L27 F43 M49 V54 T71 K94 A96L27-I45 HydrophobicContact CD2-CG2 4.15Å; L27-I45 HydrophobicContact CG-CG2 3.93Å; F43-I45 HydrophobicContact CB-CG2 4.09Å; I45-M49 HydrophobicContact CB-SD 4.21Å; I45-M49 HydrophobicContact CD1-CB 4.45Å; I45-M49 HydrophobicContact CG2-SD 4.44Å; I45-V54 HydrophobicContact CD1-CG2 3.7Å; I45-V54 HydrophobicContact CG2-CG2 4.18Å; I45-T71 HydrophobicContact CD1-CG2 3.98Å; I45-K94 HydrophobicContact CD1-CB 4.47Å; I45-K94 HydrophobicContact CD1-CD 3.61Å; I45-K94 HydrophobicContact CD1-CG 3.97Å; I45-K94 HydrophobicContact CG1-CB 3.77Å; I45-K94 HydrophobicContact CG1-CD 3.85Å; I45-K94 HydrophobicContact CG1-CG 3.81Å; I45-K94 PolarHBondContact N-O 2.97Å; I45-K94 PolarHBondContact O-N 3.48Å; I45-A96 HydrophobicContact CD1-CB 3.99Å; I45-A96 HydrophobicContact CG1-CB 4.47Å; I45-A96 HydrophobicContact CG2-CB 4.09Å
46P94.9Very high96Very high31 Ų3156 Ų5620%0.20128%0.28CS..  trans-68.2159177.125.3-29.6000111.5W25 F26 D48 M49W25-P46 HydrophobicContact CB-CG 4.11Å; W25-P46 HydrophobicContact CG-CG 4.24Å; F26-P46 WeakPolarHBondContact O-CD 3.47Å; P46-D48 PolarHBondContact O-N 2.92Å; P46-M49 HydrophobicContact CG-CB 4.01Å; P46-M49 PolarHBondContact O-N 3.29Å
47M94.1Very high96.2Very high78 Ų7853.8 Ų53.838%0.38427%0.269SS..THydrogen-bonded Turntrans-65.2-25.7-175.4-70.5-62.8-68.700113.6I73 K94M47-I73 HydrophobicContact CE-CB 4.48Å; M47-I73 HydrophobicContact CE-CD1 3.75Å; M47-I73 HydrophobicContact CE-CG1 3.9Å; M47-I73 HydrophobicContact CE-CG2 3.75Å; M47-I73 HydrophobicContact SD-CG1 4.41Å; M47-I73 HydrophobicContact SD-CG2 4.24Å; M47-K94 VanDerWaalsContact O-CE 3.25Å; M47-K94 WeakPolarHBondContact O-CE 3.16Å; M47-K94 PolarHBondContact O-NZ 3.47Å; M47-K94 HydrophobicContact SD-CB 3.92Å
48D92.1Very high96.3Very high98 Ų9851 Ų5152%0.52425%0.25SS..THydrogen-bonded Turntrans-82.1-19-177.6-54.5-31.5000112.6P46P46-D48 PolarHBondContact O-N 2.92Å
49M94.1Very high96.4Very high0 Ų050 Ų500%024%0.238CC..  trans-78.8134.4-172.9-164.2179.5-163.800111.9W25 L27 I45 P46 D53 V54 Y57 K94W25-M49 HydrophobicContact CB-SD 4.42Å; W25-M49 HydrophobicContact CD2-CE 4.38Å; W25-M49 HydrophobicContact CD2-CG 4.37Å; W25-M49 HydrophobicContact CE3-CE 3.82Å; W25-M49 HydrophobicContact CZ3-CE 4.35Å; L27-M49 HydrophobicContact CD1-CE 3.77Å; L27-M49 HydrophobicContact CD1-SD 3.76Å; L27-M49 HydrophobicContact CD2-CE 4.29Å; L27-M49 HydrophobicContact CD2-SD 4.4Å; L27-M49 HydrophobicContact CG-CE 4.43Å; L27-M49 HydrophobicContact CG-SD 4.15Å; I45-M49 HydrophobicContact CB-SD 4.21Å; I45-M49 HydrophobicContact CD1-CB 4.45Å; I45-M49 HydrophobicContact CG2-SD 4.44Å; P46-M49 HydrophobicContact CG-CB 4.01Å; P46-M49 PolarHBondContact O-N 3.29Å; M49-D53 HydrophobicContact CE-CB 3.9Å; M49-D53 HydrophobicContact CG-CB 3.65Å; M49-V54 HydrophobicContact CE-CB 4.38Å; M49-V54 HydrophobicContact CE-CG2 3.89Å; M49-V54 HydrophobicContact CG-CG2 4.01Å; M49-V54 HydrophobicContact SD-CG2 3.67Å; M49-Y57 HydrophobicContact CE-CD2 4.21Å; M49-Y57 HydrophobicContact CE-CG 3.97Å; M49-K94 PolarHBondContact O-NZ 3.39Å
50T95.6Very high96.4Very high63 Ų6355.4 Ų55.439%0.38726%0.26SS..  trans-95.1168.917874.20000112.1Y52 D53 V54T50-Y52 PolarHBondContact O-N 3.39Å; T50-Y52 PolarHBondContact OG1-N 3.38Å; T50-D53 VanDerWaalsContact CB-OD2 3.3Å; T50-D53 WeakPolarHBondContact CB-OD2 3.47Å; T50-D53 WeakPolarHBondContact CG2-OD2 3.41Å; T50-D53 PolarHBondContact N-OD2 2.82Å; T50-D53 PolarHBondContact O-N 3.42Å; T50-D53 PolarHBondContact OG1-N 3.48Å; T50-D53 PolarHBondContact OG1-OD2 2.66Å; T50-V54 WeakPolarHBondContact O-CG2 2.86Å; T50-V54 PolarHBondContact O-N 3.43Å; T50-V54 VanDerWaalsContact O-N 3.08Å
51K97.6Very high96.4Very high96 Ų9658.7 Ų58.742%0.41728%0.275SS..Hα-helixtrans-62.5-31.2176.363178.2-177.7177.60113.1K55 V69 T71K51-K55 PolarHBondContact O-N 2.78Å; K51-V69 HydrophobicContact CB-CB 4.12Å; K51-V69 HydrophobicContact CB-CG1 3.91Å; K51-T71 HydrophobicContact CB-CG2 4.37Å
52Y97.4Very high96.4Very high151 Ų15164.8 Ų64.859%0.59230%0.299SS*.Hα-helixtrans-75.4-38177.9-61.4-72.5000111.2T50 V54 K55 N56T50-Y52 PolarHBondContact O-N 3.39Å; T50-Y52 PolarHBondContact OG1-N 3.38Å; Y52-V54 VanDerWaalsContact C-N 3.32Å; Y52-V54 PolarHBondContact O-N 3.02Å; Y52-K55 PolarHBondContact O-N 3.29Å; Y52-N56 WeakPolarHBondContact O-CB 3.25Å; Y52-N56 PolarHBondContact O-N 3.3Å; Y52-N56 PolarHBondContact O-ND2 2.8Å
53D96.3Very high96.3Very high38 Ų3870 Ų7020%0.20333%0.327CS..Hα-helixtrans-60.9-44.5173.2-57-41.4000110.6W25 M49 T50 K55 N56 Y57W25-D53 HydrophobicContact CH2-CB 3.92Å; W25-D53 HydrophobicContact CZ3-CB 3.87Å; M49-D53 HydrophobicContact CE-CB 3.9Å; M49-D53 HydrophobicContact CG-CB 3.65Å; T50-D53 VanDerWaalsContact CB-OD2 3.3Å; T50-D53 WeakPolarHBondContact CB-OD2 3.47Å; T50-D53 WeakPolarHBondContact CG2-OD2 3.41Å; T50-D53 PolarHBondContact N-OD2 2.82Å; T50-D53 PolarHBondContact O-N 3.42Å; T50-D53 PolarHBondContact OG1-N 3.48Å; T50-D53 PolarHBondContact OG1-OD2 2.66Å; D53-K55 VanDerWaalsContact C-N 3.34Å; D53-K55 PolarHBondContact O-N 3.08Å; D53-N56 PolarHBondContact O-N 2.87Å; D53-Y57 WeakPolarHBondContact O-CB 3.24Å; D53-Y57 PolarHBondContact O-N 2.87Å
54V97.4Very high96.3Very high0 Ų070.9 Ų70.90%033%0.334CS..Hα-helixtrans-59.8-45.9178173.50000111L27 I45 M49 T50 Y52 Y57 L58 V69 V98L27-V54 HydrophobicContact CD2-CG1 4.38Å; I45-V54 HydrophobicContact CD1-CG2 3.7Å; I45-V54 HydrophobicContact CG2-CG2 4.18Å; M49-V54 HydrophobicContact CE-CB 4.38Å; M49-V54 HydrophobicContact CE-CG2 3.89Å; M49-V54 HydrophobicContact CG-CG2 4.01Å; M49-V54 HydrophobicContact SD-CG2 3.67Å; T50-V54 WeakPolarHBondContact O-CG2 2.86Å; T50-V54 PolarHBondContact O-N 3.43Å; T50-V54 VanDerWaalsContact O-N 3.08Å; Y52-V54 VanDerWaalsContact C-N 3.32Å; Y52-V54 PolarHBondContact O-N 3.02Å; V54-Y57 PolarHBondContact O-N 2.83Å; V54-L58 HydrophobicContact CG1-CD1 4Å; V54-L58 WeakPolarHBondContact O-CB 3.4Å; V54-L58 WeakPolarHBondContact O-CG 3.41Å; V54-L58 PolarHBondContact O-N 2.64Å; V54-V69 HydrophobicContact CB-CG1 4.26Å; V54-V69 HydrophobicContact CG1-CG1 4.14Å; V54-V69 HydrophobicContact CG1-CG2 4.45Å; V54-V98 HydrophobicContact CG1-CG2 4.07Å
55K97.6Very high96.2Very high72 Ų7267.4 Ų67.431%0.31333%0.325SS..Hα-helixtrans-58.3-54.9177.4-179.4172.7-177.2172.50111.1K51 Y52 D53 Y57 L58 E59 V66 V69K51-K55 PolarHBondContact O-N 2.78Å; Y52-K55 PolarHBondContact O-N 3.29Å; D53-K55 VanDerWaalsContact C-N 3.34Å; D53-K55 PolarHBondContact O-N 3.08Å; K55-Y57 VanDerWaalsContact C-N 3.3Å; K55-Y57 PolarHBondContact O-N 2.88Å; K55-L58 PolarHBondContact O-N 3.32Å; K55-E59 WeakPolarHBondContact CE-OE1 3.49Å; K55-E59 HydrophobicContact CG-CG 4.45Å; K55-E59 IonicContact NZ-OE1 3.82Å; K55-E59 WeakPolarHBondContact O-CB 3.46Å; K55-E59 WeakPolarHBondContact O-CG 3.38Å; K55-E59 PolarHBondContact O-N 2.8Å; K55-V66 WeakPolarHBondContact CE-O 3.39Å; K55-V66 HydrophobicContact CG-CB 4.2Å; K55-V66 HydrophobicContact CG-CG1 4.23Å; K55-V69 HydrophobicContact CB-CG2 4.32Å
56N96.9Very high96.2Very high85 Ų8567.2 Ų67.246%0.45533%0.325SS..Hα-helixtrans-61.6-38.9-179.5-70.8-21.1000112.1Y52 D53 K60Y52-N56 WeakPolarHBondContact O-CB 3.25Å; Y52-N56 PolarHBondContact O-N 3.3Å; Y52-N56 PolarHBondContact O-ND2 2.8Å; D53-N56 PolarHBondContact O-N 2.87Å; N56-K60 WeakPolarHBondContact O-CB 3.46Å; N56-K60 WeakPolarHBondContact O-CG 3.49Å; N56-K60 PolarHBondContact O-N 3.35Å
57Y96.9Very high96.2Very high34 Ų3467.5 Ų67.513%0.13333%0.334CS..Hα-helixtrans-63.5-47.6179.8-171.2-87.3000111.2P23 W25 L27 M49 D53 V54 K55 I61 Y62P23-Y57 HydrophobicContact CB-CE2 4.39Å; P23-Y57 HydrophobicContact CG-CD2 4.39Å; P23-Y57 HydrophobicContact CG-CE2 4.01Å; W25-Y57 HydrophobicContact CE3-CD2 4.31Å; L27-Y57 HydrophobicContact CD1-CD1 3.64Å; L27-Y57 HydrophobicContact CD1-CD2 4.42Å; L27-Y57 HydrophobicContact CD1-CE1 3.44Å; L27-Y57 VanDerWaalsContact CD1-CE1 3.44Å; L27-Y57 HydrophobicContact CD1-CE2 4.27Å; L27-Y57 HydrophobicContact CD1-CG 4.15Å; L27-Y57 HydrophobicContact CD2-CD1 3.9Å; L27-Y57 HydrophobicContact CD2-CE1 4.26Å; L27-Y57 HydrophobicContact CG-CD1 4.36Å; L27-Y57 HydrophobicContact CG-CE1 4.3Å; M49-Y57 HydrophobicContact CE-CD2 4.21Å; M49-Y57 HydrophobicContact CE-CG 3.97Å; D53-Y57 WeakPolarHBondContact O-CB 3.24Å; D53-Y57 PolarHBondContact O-N 2.87Å; V54-Y57 PolarHBondContact O-N 2.83Å; K55-Y57 VanDerWaalsContact C-N 3.3Å; K55-Y57 PolarHBondContact O-N 2.88Å; Y57-I61 HydrophobicContact CD1-CD1 4.19Å; Y57-I61 HydrophobicContact CD2-CD1 3.45Å; Y57-I61 VanDerWaalsContact CD2-CD1 3.45Å; Y57-I61 HydrophobicContact CE1-CD1 4.05Å; Y57-I61 HydrophobicContact CE2-CD1 3.27Å; Y57-I61 HydrophobicContact CG-CD1 3.9Å; Y57-I61 VanDerWaalsContact O-CB 3.26Å; Y57-I61 WeakPolarHBondContact O-CB 3.08Å; Y57-I61 PolarHBondContact O-N 3.45Å; Y57-Y62 HydrophobicContact CD1-CD2 4.49Å; Y57-Y62 HydrophobicContact CD1-CE2 4.18Å; Y57-Y62 HydrophobicContact CE1-CD2 4.36Å; Y57-Y62 AromaticContact CE1-CE2 3.62Å; Y57-Y62 HydrophobicContact CE1-CE2 3.62Å
58L97.1Very high96.4Very high9 Ų966.9 Ų66.95%0.04733%0.334CS..Hα-helixtrans-68.2-42178.1-70.4178.1000112.5L27 F43 V54 K55 Y62 N63 V64 V66 V98L27-L58 HydrophobicContact CD2-CD2 4.48Å; F43-L58 HydrophobicContact CE2-CD1 4.12Å; F43-L58 HydrophobicContact CZ-CD1 4.34Å; F43-L58 HydrophobicContact CZ-CD2 4.27Å; V54-L58 HydrophobicContact CG1-CD1 4Å; V54-L58 WeakPolarHBondContact O-CB 3.4Å; V54-L58 WeakPolarHBondContact O-CG 3.41Å; V54-L58 PolarHBondContact O-N 2.64Å; K55-L58 PolarHBondContact O-N 3.32Å; L58-Y62 HydrophobicContact CD2-CD2 4.15Å; L58-Y62 CarbonylContact O-C 3.58Å; L58-Y62 WeakPolarHBondContact O-CA 3.39Å; L58-Y62 WeakPolarHBondContact O-CB 3.3Å; L58-Y62 PolarHBondContact O-N 3.02Å; L58-Y62 VanDerWaalsContact O-N 3.16Å; L58-N63 PolarHBondContact O-N 3.41Å; L58-N63 VanDerWaalsContact O-N 3.11Å; L58-V64 PolarHBondContact O-N 3.48Å; L58-V64 VanDerWaalsContact O-N 3.15Å; L58-V66 HydrophobicContact CB-CG2 3.91Å; L58-V66 HydrophobicContact CD1-CG2 3.98Å; L58-V98 HydrophobicContact CD1-CG1 4Å; L58-V98 HydrophobicContact CD1-CG2 4.18Å
59E96.9Very high96.6Very high58 Ų5863 Ų6327%0.27131%0.314SS..Hα-helixtrans-69.7-38.9179.7-75.6178.9173.400112.7K55 N63 V64 V66K55-E59 WeakPolarHBondContact CE-OE1 3.49Å; K55-E59 HydrophobicContact CG-CG 4.45Å; K55-E59 IonicContact NZ-OE1 3.82Å; K55-E59 WeakPolarHBondContact O-CB 3.46Å; K55-E59 WeakPolarHBondContact O-CG 3.38Å; K55-E59 PolarHBondContact O-N 2.8Å; E59-N63 VanDerWaalsContact O-CA 3.31Å; E59-N63 WeakPolarHBondContact O-CA 3.41Å; E59-N63 PolarHBondContact O-N 3.36Å; E59-V64 VanDerWaalsContact CG-O 3.24Å; E59-V64 WeakPolarHBondContact CG-O 3.48Å; E59-V66 HydrophobicContact CG-CB 4.49Å
60K96.3Very high96.8Very high164 Ų16470.2 Ų70.271%0.71334%0.341SS*.Hα-helixtrans-89.8-32.2-174.1-61.5-63.1-179.3-172.30114.2N56N56-K60 WeakPolarHBondContact O-CB 3.46Å; N56-K60 WeakPolarHBondContact O-CG 3.49Å; N56-K60 PolarHBondContact O-N 3.35Å
61I96.6Very high96.9Very high84 Ų8470 Ų7043%0.43134%0.34SS..Hα-helixtrans-95-41.9-177.7-59175000110.9P23 Y57P23-I61 HydrophobicContact CG-CD1 4.48Å; Y57-I61 HydrophobicContact CD1-CD1 4.19Å; Y57-I61 HydrophobicContact CD2-CD1 3.45Å; Y57-I61 VanDerWaalsContact CD2-CD1 3.45Å; Y57-I61 HydrophobicContact CE1-CD1 4.05Å; Y57-I61 HydrophobicContact CE2-CD1 3.27Å; Y57-I61 HydrophobicContact CG-CD1 3.9Å; Y57-I61 VanDerWaalsContact O-CB 3.26Å; Y57-I61 WeakPolarHBondContact O-CB 3.08Å; Y57-I61 PolarHBondContact O-N 3.45Å
62Y96.4Very high96.9Very high137 Ų13770.6 Ų70.654%0.53734%0.339SS..SBendtrans-106.4-2.3-175.2-63-85.3000113.7Y57 L58 V64Y57-Y62 HydrophobicContact CD1-CD2 4.49Å; Y57-Y62 HydrophobicContact CD1-CE2 4.18Å; Y57-Y62 HydrophobicContact CE1-CD2 4.36Å; Y57-Y62 AromaticContact CE1-CE2 3.62Å; Y57-Y62 HydrophobicContact CE1-CE2 3.62Å; L58-Y62 HydrophobicContact CD2-CD2 4.15Å; L58-Y62 CarbonylContact O-C 3.58Å; L58-Y62 WeakPolarHBondContact O-CA 3.39Å; L58-Y62 WeakPolarHBondContact O-CB 3.3Å; L58-Y62 PolarHBondContact O-N 3.02Å; L58-Y62 VanDerWaalsContact O-N 3.16Å; Y62-V64 PolarHBondContact O-N 3.39Å
63N96.9Very high97Very high135 Ų13568.4 Ų68.472%0.72234%0.337SS*.  trans55.231.6-178.1-55.4-54.3000113.6L58 E59L58-N63 PolarHBondContact O-N 3.41Å; L58-N63 VanDerWaalsContact O-N 3.11Å; E59-N63 VanDerWaalsContact O-CA 3.31Å; E59-N63 WeakPolarHBondContact O-CA 3.41Å; E59-N63 PolarHBondContact O-N 3.36Å
64V96Very high97Very high42 Ų4269.2 Ų69.226%0.25534%0.339SS..  trans-90.9123.9-179.71780000109.5L58 E59 Y62 V66 L100L58-V64 PolarHBondContact O-N 3.48Å; L58-V64 VanDerWaalsContact O-N 3.15Å; E59-V64 VanDerWaalsContact CG-O 3.24Å; E59-V64 WeakPolarHBondContact CG-O 3.48Å; Y62-V64 PolarHBondContact O-N 3.39Å; V64-V66 HydrophobicContact CG1-CG2 4.33Å; V64-V66 PolarHBondContact O-N 2.95Å; V64-L100 HydrophobicContact CG1-CD2 3.59Å
65P96.4Very high97Very high32 Ų3275.4 Ų75.421%0.20837%0.366CS..  trans-76.2114.3178.533-35.1000109.8A101P65-A101 HydrophobicContact CB-CB 4.12Å; P65-A101 PolarHBondContact O-N 2.97Å
66V96.9Very high96.9Very high5 Ų572.3 Ų72.33%0.0336%0.355CS..EExtended strand (participates in β ladder)trans-106.2124.1-174.8173.80000110.7K55 L58 E59 V64 V69 V98K55-V66 WeakPolarHBondContact CE-O 3.39Å; K55-V66 HydrophobicContact CG-CB 4.2Å; K55-V66 HydrophobicContact CG-CG1 4.23Å; L58-V66 HydrophobicContact CB-CG2 3.91Å; L58-V66 HydrophobicContact CD1-CG2 3.98Å; E59-V66 HydrophobicContact CG-CB 4.49Å; V64-V66 HydrophobicContact CG1-CG2 4.33Å; V64-V66 PolarHBondContact O-N 2.95Å; V66-V69 HydrophobicContact CG1-CG2 3.51Å; V66-V98 HydrophobicContact CB-CG1 4.37Å; V66-V98 HydrophobicContact CG1-CG1 3.63Å; V66-V98 HydrophobicContact CG2-CG1 3.88Å
67G95.4Very high96.9Very high37 Ų3771.1 Ų71.138%0.38135%0.354SS..EExtended strand (participates in β ladder)trans-78.5-76.8174.800000111.6Q99G67-Q99 PolarHBondContact N-O 3.21Å
68V96.6Very high96.9Very high65 Ų6572.3 Ų72.339%0.39436%0.362SS..EExtended strand (participates in β ladder)trans-126.2136.3-173.6178.50000110.5R70 Q99V68-R70 HydrophobicContact CG1-CG 4.23Å; V68-Q99 HydrophobicContact CB-CB 4.42Å; V68-Q99 PolarHBondContact N-O 3.47Å; V68-Q99 PolarHBondContact O-N 3.17Å
69V98.1Very high96.8Very high17 Ų1780.8 Ų80.810%0.10340%0.399CS..EExtended strand (participates in β ladder)trans-116.5122.4174.2-176.90000109.7K51 V54 K55 V66 T71 Y97 V98K51-V69 HydrophobicContact CB-CB 4.12Å; K51-V69 HydrophobicContact CB-CG1 3.91Å; V54-V69 HydrophobicContact CB-CG1 4.26Å; V54-V69 HydrophobicContact CG1-CG1 4.14Å; V54-V69 HydrophobicContact CG1-CG2 4.45Å; K55-V69 HydrophobicContact CB-CG2 4.32Å; V66-V69 HydrophobicContact CG1-CG2 3.51Å; V69-T71 HydrophobicContact CG1-CG2 4.11Å; V69-Y97 WeakPolarHBondContact CA-O 3.49Å; V69-V98 HydrophobicContact CG1-CG2 4.36Å; V69-V98 HydrophobicContact CG2-CG1 4.4Å; V69-V98 HydrophobicContact CG2-CG2 4.32Å
70R98.1Very high96.8Very high151 Ų15184.6 Ų84.657%0.5741%0.414SS*.EExtended strand (participates in β ladder)trans-115.3132.5172-62.5-177.6179.5110.6-0.1109.1V68 A96 Y97V68-R70 HydrophobicContact CG1-CG 4.23Å; R70-A96 CarbonylContact O-C 3.54Å; R70-A96 WeakPolarHBondContact O-CA 3.47Å; R70-Y97 PolarHBondContact N-O 3.4Å; R70-Y97 PolarHBondContact O-N 3.46Å
71T97.9Very high96.9Very high59 Ų5982.6 Ų82.636%0.36240%0.402SS..EExtended strand (participates in β ladder)trans-121.9150.8179.959.10000111.2I45 K51 V69 V95 A96I45-T71 HydrophobicContact CD1-CG2 3.98Å; K51-T71 HydrophobicContact CB-CG2 4.37Å; V69-T71 HydrophobicContact CG1-CG2 4.11Å; T71-V95 CarbonylContact C-O 3.53Å; T71-V95 WeakPolarHBondContact CA-O 3.46Å; T71-A96 HydrophobicContact CG2-CB 3.9Å
72R97.8Very high96.9Very high107 Ų10781 Ų8140%0.40440%0.395SS..EExtended strand (participates in β ladder)trans-142.7150.2170.568.8-176.6-174.289.62.5110.3V95 Y97R72-V95 HydrophobicContact CG-CB 4.15Å; R72-V95 PolarHBondContact N-O 2.94Å; R72-V95 PolarHBondContact O-N 3.12Å; R72-Y97 HydrophobicContact CG-CE2 4.12Å; R72-Y97 PolarHBondContact NE-OH 3.11Å; R72-Y97 PolarHBondContact NH2-OH 2.93Å
73I97.9Very high96.9Very high105 Ų10582.9 Ų82.954%0.53841%0.408SS..EExtended strand (participates in β ladder)trans-88.9128.5173.8-63.8168.1000108.2M47 K94M47-I73 HydrophobicContact CE-CB 4.48Å; M47-I73 HydrophobicContact CE-CD1 3.75Å; M47-I73 HydrophobicContact CE-CG1 3.9Å; M47-I73 HydrophobicContact CE-CG2 3.75Å; M47-I73 HydrophobicContact SD-CG1 4.41Å; M47-I73 HydrophobicContact SD-CG2 4.24Å; I73-K94 HydrophobicContact CG1-CG 4.4Å
74Q97Very high96.9Very high56 Ų5681.5 Ų81.526%0.26240%0.4SS..EExtended strand (participates in β ladder)trans-100.9119.1174.6-179.361.659.400109.5Y93 V95Q74-Y93 WeakPolarHBondContact CA-O 3.18Å; Q74-Y93 HydrophobicContact CB-CD1 4.49Å; Q74-Y93 HydrophobicContact CB-CD2 4.1Å; Q74-Y93 HydrophobicContact CB-CE1 4.22Å; Q74-Y93 HydrophobicContact CB-CE2 3.8Å; Q74-Y93 HydrophobicContact CB-CG 4.45Å; Q74-Y93 WeakPolarHBondContact CB-O 3.2Å; Q74-Y93 HydrophobicContact CG-CE1 3.84Å; Q74-Y93 HydrophobicContact CG-CE2 3.98Å; Q74-Y93 PolarHBondContact N-O 3.16Å; Q74-Y93 PolarHBondContact O-N 3.15Å; Q74-V95 HydrophobicContact CB-CG2 4.3Å
75F97.4Very high96.9Very high129 Ų12984.7 Ų84.757%0.56642%0.416SS*.PPolyproline II helixtrans-73.9126.3172-171.1-98.5000110.3K89 D92F75-K89 VanDerWaalsContact CD2-NZ 3.28Å; F75-D92 WeakPolarHBondContact CA-OD1 3.26Å
76G95.9Very high97Very high7 Ų788.5 Ų88.57%0.07243%0.431CS..PPolyproline II helixtrans-77.5143.4170.200000111.4N78 K89 D92G76-N78 PolarHBondContact O-N 3.34Å; G76-K89 PolarHBondContact O-NZ 2.94Å; G76-D92 PolarHBondContact N-OD1 3.08Å
77S96.9Very high97Very high61 Ų6196.3 Ų96.343%0.42746%0.46SS..PPolyproline II helixtrans-60139.5-179.8-178.40000112.4K79 K90S77-K79 PolarHBondContact OG-N 2.88Å; S77-K90 PolarHBondContact O-N 3.03Å
78N96.2Very high97.1Very high59 Ų5997.4 Ų97.432%0.31646%0.459SS..  trans-117.322.9174.1-161.415000112.3G76 K89G76-N78 PolarHBondContact O-N 3.34Å; N78-K89 HydrophobicContact CB-CD 3.82Å
79K96Very high97.1Very high186 Ų18697.8 Ų97.881%0.80946%0.455SS*.  trans-86.7-26.8-176.8-170.8176.1178.2-179.30112.8S77S77-K79 PolarHBondContact OG-N 2.88Å
80K96.6Very high97Very high139 Ų139103 Ų10360%0.60448%0.476SS*.  trans-64.9137.7-176.9-173.7177.8179.8-179.20110R87 V88K80-R87 WeakPolarHBondContact O-CA 3.44Å; K80-V88 PolarHBondContact O-N 3.43Å
81R97.6Very high96.9Very high122 Ų122101 Ų10146%0.4648%0.483SS..BIsolated β-bridgetrans-118.9151.3171.3-62.3-174.3178.4-11810.2110.6N85 Q86 R87R81-N85 WeakPolarHBondContact CD-OD1 3.46Å; R81-N85 PolarHBondContact NH1-O 3.2Å; R81-N85 PolarHBondContact NH1-OD1 3.2Å; R81-Q86 CarbonylContact C-O 3.42Å; R81-Q86 WeakPolarHBondContact CA-O 3.46Å; R81-R87 HydrophobicContact CG-CG 4.46Å
82N96.9Very high96.8Very high50 Ų50101.2 Ų101.227%0.26748%0.482SS..  trans-87.1180172.6693.3000111.2L84 N85 Q86 V88N82-L84 PolarHBondContact O-N 2.67Å; N82-L84 WeakPolarHBondContact OD1-CA 3.31Å; N82-L84 PolarHBondContact OD1-N 2.72Å; N82-L84 VanDerWaalsContact OD1-N 3.08Å; N82-N85 PolarHBondContact O-N 3.47Å; N82-N85 PolarHBondContact OD1-N 2.69Å; N82-Q86 PolarHBondContact N-O 2.92Å; N82-Q86 PolarHBondContact ND2-OE1 2.8Å; N82-Q86 WeakPolarHBondContact OD1-CA 3.42Å; N82-Q86 WeakPolarHBondContact OD1-CB 3.44Å; N82-Q86 PolarHBondContact OD1-N 3.27Å; N82-Q86 PolarHBondContact OD1-O 3.46Å; N82-V88 HydrophobicContact CB-CG2 4.13Å
83H96.8Very high96.7Very high176 Ų17699.7 Ų99.782%0.81548%0.477SS*.THydrogen-bonded Turntrans-62.6-18.2177.663.192.5000113.6N85H83-N85 VanDerWaalsContact C-N 3.33Å
84L97Very high96.7Very high106 Ų10695.9 Ų95.956%0.55546%0.456SS*.THydrogen-bonded Turntrans-93.114.3173.6-55.6177.4000112.8N82 Q86N82-L84 PolarHBondContact O-N 2.67Å; N82-L84 WeakPolarHBondContact OD1-CA 3.31Å; N82-L84 PolarHBondContact OD1-N 2.72Å; N82-L84 VanDerWaalsContact OD1-N 3.08Å; L84-Q86 HydrophobicContact CB-CG 4.17Å; L84-Q86 PolarHBondContact O-N 3.28Å; L84-Q86 VanDerWaalsContact O-N 3.12Å
85N96.1Very high96.8Very high109 Ų10993.2 Ų93.258%0.58344%0.444SS*.SBendtrans61.315.5-178.1-162.520.6000115R81 N82 H83R81-N85 WeakPolarHBondContact CD-OD1 3.46Å; R81-N85 PolarHBondContact NH1-O 3.2Å; R81-N85 PolarHBondContact NH1-OD1 3.2Å; N82-N85 PolarHBondContact O-N 3.47Å; N82-N85 PolarHBondContact OD1-N 2.69Å; H83-N85 VanDerWaalsContact C-N 3.33Å
86Q97.4Very high96.8Very high113 Ų11387.1 Ų87.153%0.52842%0.417SS..  trans-84.1142.2176.5-56.3167.8-21.300110.7R81 N82 L84R81-Q86 CarbonylContact C-O 3.42Å; R81-Q86 WeakPolarHBondContact CA-O 3.46Å; N82-Q86 PolarHBondContact N-O 2.92Å; N82-Q86 PolarHBondContact ND2-OE1 2.8Å; N82-Q86 WeakPolarHBondContact OD1-CA 3.42Å; N82-Q86 WeakPolarHBondContact OD1-CB 3.44Å; N82-Q86 PolarHBondContact OD1-N 3.27Å; N82-Q86 PolarHBondContact OD1-O 3.46Å; L84-Q86 HydrophobicContact CB-CG 4.17Å; L84-Q86 PolarHBondContact O-N 3.28Å; L84-Q86 VanDerWaalsContact O-N 3.12Å
87R96.8Very high96.9Very high168 Ų16889.1 Ų89.163%0.63442%0.423SS*.BIsolated β-bridgetrans-72.9134179-68.3-177.4177.4174.7-1.5111K80 R81K80-R87 WeakPolarHBondContact O-CA 3.44Å; R81-R87 HydrophobicContact CG-CG 4.46Å
88V97.2Very high96.9Very high61 Ų6186.2 Ų86.237%0.3740%0.403SS..  trans-111.2107.1175.8-177.90000108.9K80 N82K80-V88 PolarHBondContact O-N 3.43Å; N82-V88 HydrophobicContact CB-CG2 4.13Å
89K96.8Very high97Very high73 Ų7385.7 Ų85.732%0.31740%0.398SS..PPolyproline II helixtrans-78.9125179.4174.663.4178.7177.30110.4F75 G76 N78 D92F75-K89 VanDerWaalsContact CD2-NZ 3.28Å; G76-K89 PolarHBondContact O-NZ 2.94Å; N78-K89 HydrophobicContact CB-CD 3.82Å; K89-D92 WeakPolarHBondContact CE-OD1 3.32Å; K89-D92 IonicContact NZ-OD1 3.5Å; K89-D92 PolarHBondContact NZ-OD1 3.02Å; K89-D92 IonicContact NZ-OD2 2.67Å
90K96.7Very high97Very high125 Ų12578 Ų7854%0.54337%0.366SS..PPolyproline II helixtrans-71.8136.2164.5-66.8-172.9177.9-175.40109.1S77 D92S77-K90 PolarHBondContact O-N 3.03Å; K90-D92 PolarHBondContact O-N 3.38Å
91P95.5Very high96.8Very high110 Ų11072.7 Ų72.771%0.71435%0.348SS*.PPolyproline II helixtrans-61.5137.9-178.826-34.1000110.7
92D96.7Very high96.3Very high63 Ų6374.1 Ų74.134%0.33736%0.36SS..PPolyproline II helixtrans-72.5150.3171.6-63-18.9000109.1F75 G76 K89 K90F75-D92 WeakPolarHBondContact CA-OD1 3.26Å; G76-D92 PolarHBondContact N-OD1 3.08Å; K89-D92 WeakPolarHBondContact CE-OD1 3.32Å; K89-D92 IonicContact NZ-OD1 3.5Å; K89-D92 PolarHBondContact NZ-OD1 3.02Å; K89-D92 IonicContact NZ-OD2 2.67Å; K90-D92 PolarHBondContact O-N 3.38Å
93Y95.9Very high95.7Very high75 Ų7577.4 Ų77.429%0.29439%0.387SS..EExtended strand (participates in β ladder)trans-142.2155.3177.461.1-89.3000110.6R44 Q74 V95R44-Y93 HydrophobicContact CG-CD2 3.94Å; R44-Y93 HydrophobicContact CG-CE2 4.17Å; Q74-Y93 WeakPolarHBondContact CA-O 3.18Å; Q74-Y93 HydrophobicContact CB-CD1 4.49Å; Q74-Y93 HydrophobicContact CB-CD2 4.1Å; Q74-Y93 HydrophobicContact CB-CE1 4.22Å; Q74-Y93 HydrophobicContact CB-CE2 3.8Å; Q74-Y93 HydrophobicContact CB-CG 4.45Å; Q74-Y93 WeakPolarHBondContact CB-O 3.2Å; Q74-Y93 HydrophobicContact CG-CE1 3.84Å; Q74-Y93 HydrophobicContact CG-CE2 3.98Å; Q74-Y93 PolarHBondContact N-O 3.16Å; Q74-Y93 PolarHBondContact O-N 3.15Å; Y93-V95 HydrophobicContact CD2-CG2 3.78Å; Y93-V95 HydrophobicContact CE2-CG2 3.46Å; Y93-V95 VanDerWaalsContact CE2-CG2 3.46Å
94K97.6Very high95.5Very high25 Ų2572.7 Ų72.711%0.10937%0.365CS..EExtended strand (participates in β ladder)trans-98.4134.9176.8-169.9-177.2-61.3-1800109.4R44 I45 M47 M49 I73R44-K94 WeakPolarHBondContact CA-O 3.47Å; I45-K94 HydrophobicContact CD1-CB 4.47Å; I45-K94 HydrophobicContact CD1-CD 3.61Å; I45-K94 HydrophobicContact CD1-CG 3.97Å; I45-K94 HydrophobicContact CG1-CB 3.77Å; I45-K94 HydrophobicContact CG1-CD 3.85Å; I45-K94 HydrophobicContact CG1-CG 3.81Å; I45-K94 PolarHBondContact N-O 2.97Å; I45-K94 PolarHBondContact O-N 3.48Å; M47-K94 VanDerWaalsContact O-CE 3.25Å; M47-K94 WeakPolarHBondContact O-CE 3.16Å; M47-K94 PolarHBondContact O-NZ 3.47Å; M47-K94 HydrophobicContact SD-CB 3.92Å; M49-K94 PolarHBondContact O-NZ 3.39Å; I73-K94 HydrophobicContact CG1-CG 4.4Å
95V98.1Very high95.4Very high1 Ų172.8 Ų72.81%0.00637%0.371CS..EExtended strand (participates in β ladder)trans-104.9134.5176.4-179.30000108.4Q42 F43 T71 R72 Q74 Y93 Y97Q42-V95 HydrophobicContact CG-CG1 3.8Å; F43-V95 WeakPolarHBondContact O-CA 3.07Å; T71-V95 CarbonylContact C-O 3.53Å; T71-V95 WeakPolarHBondContact CA-O 3.46Å; R72-V95 HydrophobicContact CG-CB 4.15Å; R72-V95 PolarHBondContact N-O 2.94Å; R72-V95 PolarHBondContact O-N 3.12Å; Q74-V95 HydrophobicContact CB-CG2 4.3Å; Y93-V95 HydrophobicContact CD2-CG2 3.78Å; Y93-V95 HydrophobicContact CE2-CG2 3.46Å; Y93-V95 VanDerWaalsContact CE2-CG2 3.46Å; V95-Y97 HydrophobicContact CG1-CD2 4.34Å; V95-Y97 HydrophobicContact CG1-CE1 4.4Å; V95-Y97 HydrophobicContact CG1-CE2 3.79Å
96A98.3Very high95.3Very high0 Ų071.1 Ų71.10%036%0.358CS..EExtended strand (participates in β ladder)trans-115131.1170.800000110.2Q42 F43 I45 R70 T71 V98Q42-A96 WeakPolarHBondContact CA-O 3.47Å; F43-A96 HydrophobicContact CB-CB 4.38Å; F43-A96 PolarHBondContact N-O 2.85Å; F43-A96 PolarHBondContact O-N 3.04Å; I45-A96 HydrophobicContact CD1-CB 3.99Å; I45-A96 HydrophobicContact CG1-CB 4.47Å; I45-A96 HydrophobicContact CG2-CB 4.09Å; R70-A96 CarbonylContact O-C 3.54Å; R70-A96 WeakPolarHBondContact O-CA 3.47Å; T71-A96 HydrophobicContact CG2-CB 3.9Å; A96-V98 HydrophobicContact CB-CG2 4.43Å
97Y97.9Very high95.2Very high49 Ų4971.5 Ų71.519%0.19237%0.368CS..EExtended strand (participates in β ladder)trans-103.3116.9168.1-58.8-86.1000107.1T40 Q42 V69 R70 R72 V95T40-Y97 HydrophobicContact CG2-CD1 4.43Å; Q42-Y97 HydrophobicContact CG-CD1 4.48Å; Q42-Y97 HydrophobicContact CG-CE1 4.27Å; V69-Y97 WeakPolarHBondContact CA-O 3.49Å; R70-Y97 PolarHBondContact N-O 3.4Å; R70-Y97 PolarHBondContact O-N 3.46Å; R72-Y97 HydrophobicContact CG-CE2 4.12Å; R72-Y97 PolarHBondContact NE-OH 3.11Å; R72-Y97 PolarHBondContact NH2-OH 2.93Å; V95-Y97 HydrophobicContact CG1-CD2 4.34Å; V95-Y97 HydrophobicContact CG1-CE1 4.4Å; V95-Y97 HydrophobicContact CG1-CE2 3.79Å
98V97.8Very high95.1Very high1 Ų165.6 Ų65.61%0.00635%0.347CS..EExtended strand (participates in β ladder)trans-114.2116.3-174.8-179.10000107.4T40 V41 F43 V54 L58 V66 V69 A96T40-V98 WeakPolarHBondContact CA-O 3.17Å; V41-V98 PolarHBondContact N-O 3.08Å; V41-V98 PolarHBondContact O-N 2.84Å; F43-V98 HydrophobicContact CD2-CB 4.28Å; F43-V98 HydrophobicContact CD2-CG2 3.68Å; F43-V98 HydrophobicContact CE2-CB 4.13Å; F43-V98 HydrophobicContact CE2-CG2 3.92Å; V54-V98 HydrophobicContact CG1-CG2 4.07Å; L58-V98 HydrophobicContact CD1-CG1 4Å; L58-V98 HydrophobicContact CD1-CG2 4.18Å; V66-V98 HydrophobicContact CB-CG1 4.37Å; V66-V98 HydrophobicContact CG1-CG1 3.63Å; V66-V98 HydrophobicContact CG2-CG1 3.88Å; V69-V98 HydrophobicContact CG1-CG2 4.36Å; V69-V98 HydrophobicContact CG2-CG1 4.4Å; V69-V98 HydrophobicContact CG2-CG2 4.32Å; A96-V98 HydrophobicContact CB-CG2 4.43Å
99Q97Very high94.9Very high47 Ų4766.1 Ų66.122%0.2235%0.352CS..EExtended strand (participates in β ladder)trans-87.5122.2171.1-67.4-173.7-60.600108.7D39 G67 V68D39-Q99 WeakPolarHBondContact O-CA 3.39Å; G67-Q99 PolarHBondContact N-O 3.21Å; V68-Q99 HydrophobicContact CB-CB 4.42Å; V68-Q99 PolarHBondContact N-O 3.47Å; V68-Q99 PolarHBondContact O-N 3.17Å
100L96.2Very high94.7Very high25 Ų2567.8 Ų67.813%0.13137%0.365CS..EExtended strand (participates in β ladder)trans-67.5144.2175.4-60.5175.7000109.9D39 V41 V64 Q104 F106D39-L100 PolarHBondContact O-N 3.15Å; V41-L100 HydrophobicContact CG2-CD1 4Å; V41-L100 HydrophobicContact CG2-CD2 4.29Å; V41-L100 HydrophobicContact CG2-CG 4.05Å; V64-L100 HydrophobicContact CG1-CD2 3.59Å; L100-Q104 HydrophobicContact CB-CB 4.21Å; L100-Q104 HydrophobicContact CD1-CB 4.16Å; L100-F106 HydrophobicContact CD1-CB 3.8Å
101A92.6Very high94.5Very high28 Ų2866.8 Ų66.823%0.23136%0.364CS..SBendtrans-83.6174.7171.300000110.8P65 S103 Q104P65-A101 HydrophobicContact CB-CB 4.12Å; P65-A101 PolarHBondContact O-N 2.97Å; A101-S103 VanDerWaalsContact C-N 3.27Å; A101-S103 PolarHBondContact O-N 3.12Å; A101-Q104 PolarHBondContact O-N 2.8Å
102Q87.6Confident94.3Very high151 Ų15170 Ų7071%0.70637%0.367SS*.THydrogen-bonded Turntrans6226.8172.6-53.5174.7-13.300115Q104Q102-Q104 HydrophobicContact CB-CG 4.44Å; Q102-Q104 PolarHBondContact O-N 3.21Å; Q102-Q104 VanDerWaalsContact O-N 3.11Å
103S84.5Confident93.9Very high120 Ų12071.1 Ų71.184%0.83938%0.378SS*.THydrogen-bonded Turntrans55.728.2179.6-53.60000113.9A101A101-S103 VanDerWaalsContact C-N 3.27Å; A101-S103 PolarHBondContact O-N 3.12Å
104Q91.8Very high93.4Very high77 Ų7776.7 Ų76.736%0.3641%0.406SS..  trans-72138.3173.6-65.8-178.60.500110.2L100 A101 Q102L100-Q104 HydrophobicContact CB-CB 4.21Å; L100-Q104 HydrophobicContact CD1-CB 4.16Å; A101-Q104 PolarHBondContact O-N 2.8Å; Q102-Q104 HydrophobicContact CB-CG 4.44Å; Q102-Q104 PolarHBondContact O-N 3.21Å; Q102-Q104 VanDerWaalsContact O-N 3.11Å
105T94.4Very high92.6Very high108 Ų10884.4 Ų84.466%0.66344%0.44SS*.  trans-106.8140.6175.855.70000110.3P38P38-T105 HydrophobicContact CB-CG2 4.04Å; P38-T105 HydrophobicContact CG-CG2 4.34Å; P38-T105 CarbonylContact O-C 3.59Å; P38-T105 WeakPolarHBondContact O-CA 3.22Å
106F94.6Very high91.5Very high74 Ų7491.3 Ų91.333%0.32548%0.477SS..  trans-129.6125.7177176.5-93.9000111L29 P38 V41 L100 F108L29-F106 HydrophobicContact CD1-CE1 4.21Å; L29-F106 HydrophobicContact CD1-CZ 3.82Å; L29-F106 HydrophobicContact CD2-CE1 4.45Å; L29-F106 HydrophobicContact CD2-CZ 4.1Å; P38-F106 PolarHBondContact O-N 2.86Å; V41-F106 HydrophobicContact CB-CD1 4.39Å; V41-F106 HydrophobicContact CG1-CD1 4.03Å; V41-F106 HydrophobicContact CG1-CE1 4.02Å; V41-F106 HydrophobicContact CG2-CB 3.8Å; V41-F106 HydrophobicContact CG2-CD1 3.63Å; V41-F106 HydrophobicContact CG2-CE1 4.44Å; V41-F106 HydrophobicContact CG2-CG 3.81Å; L100-F106 HydrophobicContact CD1-CB 3.8Å; F106-F108 HydrophobicContact CE1-CB 4.43Å
107T94.2Very high89.9Confident120 Ų120102.4 Ų102.474%0.73652%0.519SS*.  trans-113.5130.4171.2530000109.1P109T107-P109 WeakPolarHBondContact O-CD 3.34Å
108F94.8Very high88.3Confident44 Ų44105.3 Ų105.319%0.19354%0.542CS..PPolyproline II helixtrans-63.5120.8178.3-169.2-76.7000109.5L29 R31 F106 I111L29-F108 HydrophobicContact CD2-CD2 3.47Å; L29-F108 VanDerWaalsContact CD2-CD2 3.47Å; L29-F108 HydrophobicContact CD2-CE2 3.25Å; L29-F108 HydrophobicContact CD2-CZ 4.22Å; L29-F108 HydrophobicContact CG-CE2 4.44Å; R31-F108 HydrophobicContact CB-CD1 4.13Å; R31-F108 HydrophobicContact CB-CD2 3.94Å; R31-F108 HydrophobicContact CB-CE1 4.28Å; R31-F108 HydrophobicContact CB-CE2 4.03Å; R31-F108 HydrophobicContact CB-CG 3.99Å; R31-F108 HydrophobicContact CB-CZ 4.24Å; R31-F108 HydrophobicContact CG-CB 4.47Å; R31-F108 HydrophobicContact CG-CD1 4.37Å; R31-F108 HydrophobicContact CG-CG 4.26Å; F106-F108 HydrophobicContact CE1-CB 4.43Å; F108-I111 HydrophobicContact CE1-CD1 3.69Å; F108-I111 HydrophobicContact CE1-CG1 4.15Å; F108-I111 HydrophobicContact CZ-CD1 3.76Å
109P93.9Very high86.4Confident72 Ų72108.7 Ų108.747%0.46856%0.559SS.*PPolyproline II helixtrans-68.9155.2-174.628.7-35.3000111.5T107 I111T107-P109 WeakPolarHBondContact O-CD 3.34Å; P109-I111 PolarHBondContact O-N 3.19Å
110D92.9Very high84.9Confident109 Ų109114.4 Ų114.458%0.58358%0.583SS**PPolyproline II helixtrans-76.4118.3167.6-167.28.2000110F112D110-F112 PolarHBondContact OD1-N 3.08Å; D110-F112 VanDerWaalsContact OD1-N 3.12Å
111I92.1Very high83.2Confident104 Ų104122.3 Ų122.353%0.53362%0.62SS.*SBendtrans-90.9-17.8-177.2-56.2174000110.2F108 P109 P113F108-I111 HydrophobicContact CE1-CD1 3.69Å; F108-I111 HydrophobicContact CE1-CG1 4.15Å; F108-I111 HydrophobicContact CZ-CD1 3.76Å; P109-I111 PolarHBondContact O-N 3.19Å; I111-P113 VanDerWaalsContact C-CD 3.41Å; I111-P113 WeakPolarHBondContact O-CD 3.44Å
112F91Very high81.9Confident176 Ų176124.3 Ų124.377%0.77264%0.644SS**SBendtrans-125.566.4-177.4-60.4-77.1000110.1D110D110-F112 PolarHBondContact OD1-N 3.08Å; D110-F112 VanDerWaalsContact OD1-N 3.12Å
113P88.5Confident81.3Confident87 Ų87118.7 Ų118.757%0.56562%0.621SS**PPolyproline II helixtrans-59.5147174.428-34.7000109.8I111 K115I111-P113 VanDerWaalsContact C-CD 3.41Å; I111-P113 WeakPolarHBondContact O-CD 3.44Å; P113-K115 PolarHBondContact O-N 2.93Å; P113-K115 VanDerWaalsContact O-N 3.15Å
114E85.8Confident80.9Confident192 Ų192120.6 Ų120.690%0.89762%0.618SS**PPolyproline II helixtrans-58.6120.9171-64.7-175.2177.500108.4
115K80.8Confident80.3Confident188 Ų188122.4 Ų122.482%0.81763%0.627SS**PPolyproline II helixtrans-74.7135.4177.7-64-178.4-177.81740108.6P113 R117P113-K115 PolarHBondContact O-N 2.93Å; P113-K115 VanDerWaalsContact O-N 3.15Å; K115-R117 PolarHBondContact O-N 3.1Å; K115-R117 VanDerWaalsContact O-N 3.1Å
116D74.1Confident79.6Confident146 Ų146119.2 Ų119.278%0.78160%0.604SS**PPolyproline II helixtrans-57.8117.3164.1-62.4-36.8000107.8T118D116-T118 PolarHBondContact O-N 2.73Å
117R64.8Low79Confident232 Ų232122.2 Ų122.288%0.87562%0.621SS**  trans-70.458.6179.6-63-178.2-177.3176.80.9110.9K115 L119K115-R117 PolarHBondContact O-N 3.1Å; K115-R117 VanDerWaalsContact O-N 3.1Å; R117-L119 PolarHBondContact O-N 2.94Å
118T63.8Low78.6Confident110 Ų110122.5 Ų122.568%0.67561%0.614SS**  trans-81.394.7164.448.80000106.2D116 K120D116-T118 PolarHBondContact O-N 2.73Å; T118-K120 PolarHBondContact O-N 3.2Å
119L59.8Low78.2Confident72 Ų72124.6 Ų124.638%0.37762%0.624SS.*  trans-53.2108.7173.1-67.9165.4000107.3R117 E121 E125 E129R117-L119 PolarHBondContact O-N 2.94Å; L119-E121 PolarHBondContact O-N 3.18Å; L119-E125 HydrophobicContact CD2-CB 3.97Å; L119-E129 VanDerWaalsContact CD1-OE2 3.24Å; L119-E129 WeakPolarHBondContact CD1-OE2 3.24Å
120K64.9Low77.8Confident167 Ų167126.4 Ų126.473%0.72663%0.625SS**  trans-72.9125169.5-71.2-176178.7-178.10106.8T118 G122 S123T118-K120 PolarHBondContact O-N 3.2Å; K120-G122 PolarHBondContact O-N 3.22Å; K120-S123 WeakPolarHBondContact O-CB 3.3Å; K120-S123 PolarHBondContact O-N 3.48Å; K120-S123 PolarHBondContact O-OG 2.89Å
121E59.3Low77.6Confident191 Ų191127.1 Ų127.189%0.89362%0.623SS**THydrogen-bonded Turntrans-52.7121.9176.6-64.6177.7174.200109.6L119 E126L119-E121 PolarHBondContact O-N 3.18Å; E121-E126 VanDerWaalsContact CA-OE2 3.32Å; E121-E126 WeakPolarHBondContact CA-OE2 3.43Å
122G66.8Low77.4Confident71 Ų71127.2 Ų127.273%0.73262%0.622SS**THydrogen-bonded Turntrans92.76.3-17600000116.1K120 E126K120-G122 PolarHBondContact O-N 3.22Å; G122-E126 PolarHBondContact N-OE2 2.9Å
123S75.1Confident77.3Confident32 Ų32124.4 Ų124.422%0.22461%0.612CS.*  trans-74.8155.8176.3620000113.1K120 E125 E126 M127K120-S123 WeakPolarHBondContact O-CB 3.3Å; K120-S123 PolarHBondContact O-N 3.48Å; K120-S123 PolarHBondContact O-OG 2.89Å; S123-E125 PolarHBondContact O-N 3.19Å; S123-E126 PolarHBondContact O-N 3.2Å; S123-M127 PolarHBondContact O-N 3.19Å
124M75.1Confident77.2Confident160 Ų160123.8 Ų123.879%0.78860%0.604SS**Hα-helixtrans-57.4-29.7175.1-77.1-17466.100112.5M127 Q128M124-M127 PolarHBondContact O-N 3.36Å; M124-Q128 VanDerWaalsContact O-CB 3.3Å; M124-Q128 WeakPolarHBondContact O-CB 3.21Å; M124-Q128 PolarHBondContact O-N 2.98Å
125E79Confident77.2Confident116 Ų116118.9 Ų118.954%0.54258%0.581SS.*Hα-helixtrans-65.7-44.7178.5-66.1174.6-178.800110.9L119 S123 M127 Q128 E129L119-E125 HydrophobicContact CD2-CB 3.97Å; S123-E125 PolarHBondContact O-N 3.19Å; E125-M127 PolarHBondContact O-N 2.84Å; E125-Q128 PolarHBondContact O-N 3.29Å; E125-E129 WeakPolarHBondContact O-CG 3.37Å; E125-E129 PolarHBondContact O-N 3.39Å
126E80.6Confident77.5Confident41 Ų41116.7 Ų116.719%0.19257%0.571CS.*Hα-helixtrans-64.6-39.8175-169.1-166.216000111.9E121 G122 S123 Q128 E129 K130E121-E126 VanDerWaalsContact CA-OE2 3.32Å; E121-E126 WeakPolarHBondContact CA-OE2 3.43Å; G122-E126 PolarHBondContact N-OE2 2.9Å; S123-E126 PolarHBondContact O-N 3.2Å; E126-Q128 VanDerWaalsContact C-N 3.28Å; E126-Q128 PolarHBondContact O-N 3.46Å; E126-E129 PolarHBondContact O-N 3.44Å; E126-K130 WeakPolarHBondContact O-CG 3.25Å; E126-K130 PolarHBondContact O-N 3.45Å; E126-K130 WeakPolarHBondContact OE1-CE 3.3Å; E126-K130 IonicContact OE1-NZ 2.65Å; E126-K130 PolarHBondContact OE1-NZ 3.06Å
127M82.4Confident77.8Confident137 Ų137115.9 Ų115.968%0.67556%0.563SS**Hα-helixtrans-63.7-37.4175.9-170.2-179.2-65.600111.5S123 M124 E125 F131S123-M127 PolarHBondContact O-N 3.19Å; M124-M127 PolarHBondContact O-N 3.36Å; E125-M127 PolarHBondContact O-N 2.84Å; M127-F131 WeakPolarHBondContact O-CB 3.39Å; M127-F131 PolarHBondContact O-N 3.46Å
128Q85.1Confident78.4Confident125 Ų125114.8 Ų114.858%0.58456%0.559SS**Hα-helixtrans-71.7-37.1177.5-161.3169.34.200111.7M124 E125 E126 F131 M132M124-Q128 VanDerWaalsContact O-CB 3.3Å; M124-Q128 WeakPolarHBondContact O-CB 3.21Å; M124-Q128 PolarHBondContact O-N 2.98Å; E125-Q128 PolarHBondContact O-N 3.29Å; E126-Q128 VanDerWaalsContact C-N 3.28Å; E126-Q128 PolarHBondContact O-N 3.46Å; Q128-F131 PolarHBondContact O-N 3.36Å; Q128-M132 WeakPolarHBondContact O-CG 3.39Å; Q128-M132 PolarHBondContact O-N 3.28Å
129E85.9Confident78.7Confident88 Ų88116 Ų11641%0.41156%0.556SS.*Hα-helixtrans-64.6-48.3173-75.4-179.417200111.8L119 E125 E126 F131 M132 E133L119-E129 VanDerWaalsContact CD1-OE2 3.24Å; L119-E129 WeakPolarHBondContact CD1-OE2 3.24Å; E125-E129 WeakPolarHBondContact O-CG 3.37Å; E125-E129 PolarHBondContact O-N 3.39Å; E126-E129 PolarHBondContact O-N 3.44Å; E129-F131 VanDerWaalsContact C-N 3.29Å; E129-F131 PolarHBondContact O-N 3.02Å; E129-M132 PolarHBondContact O-N 3.34Å; E129-M132 VanDerWaalsContact O-N 3.1Å; E129-E133 PolarHBondContact O-N 3.43Å
130K86.4Confident79.2Confident110 Ų110119.9 Ų119.948%0.47857%0.57SS.*Hα-helixtrans-56.6-44.1174.2-73.4176.6-176.6172.20111.8E126 M132 E133 D134E126-K130 WeakPolarHBondContact O-CG 3.25Å; E126-K130 PolarHBondContact O-N 3.45Å; E126-K130 WeakPolarHBondContact OE1-CE 3.3Å; E126-K130 IonicContact OE1-NZ 2.65Å; E126-K130 PolarHBondContact OE1-NZ 3.06Å; K130-M132 VanDerWaalsContact C-N 3.35Å; K130-M132 PolarHBondContact O-N 2.95Å; K130-E133 PolarHBondContact O-N 2.98Å; K130-D134 WeakPolarHBondContact O-CB 2.85Å; K130-D134 PolarHBondContact O-N 3.1Å
131F88.7Confident79.3Confident125 Ų125117 Ų11755%0.54857%0.569SS.*Hα-helixtrans-61.7-42.3176.3-174.2-92.6000112.2M127 Q128 E129 D134 E135M127-F131 WeakPolarHBondContact O-CB 3.39Å; M127-F131 PolarHBondContact O-N 3.46Å; Q128-F131 PolarHBondContact O-N 3.36Å; E129-F131 VanDerWaalsContact C-N 3.29Å; E129-F131 PolarHBondContact O-N 3.02Å; F131-D134 PolarHBondContact O-N 2.9Å; F131-E135 HydrophobicContact CD1-CG 4.37Å; F131-E135 HydrophobicContact CE1-CG 3.88Å; F131-E135 HydrophobicContact CZ-CG 4.17Å; F131-E135 PolarHBondContact O-N 3.2Å
132M87.9Confident79.9Confident105 Ų105111.2 Ų111.252%0.51754%0.544SS..Hα-helixtrans-67.6-35.8176.5-74-148.9-63.900112.9Q128 E129 K130 K136Q128-M132 WeakPolarHBondContact O-CG 3.39Å; Q128-M132 PolarHBondContact O-N 3.28Å; E129-M132 PolarHBondContact O-N 3.34Å; E129-M132 VanDerWaalsContact O-N 3.1Å; K130-M132 VanDerWaalsContact C-N 3.35Å; K130-M132 PolarHBondContact O-N 2.95Å; M132-K136 VanDerWaalsContact O-CG 3.3Å; M132-K136 WeakPolarHBondContact O-CG 3.4Å; M132-K136 PolarHBondContact O-N 2.77Å
133E88.3Confident80.4Confident117 Ų117113.6 Ų113.655%0.54755%0.546SS..Hα-helixtrans-65.6-45.3173.6-74.3-174.7165.500111.5E129 K130 E135 K136 Q137E129-E133 PolarHBondContact O-N 3.43Å; K130-E133 PolarHBondContact O-N 2.98Å; E133-E135 PolarHBondContact O-N 2.97Å; E133-K136 PolarHBondContact O-N 2.65Å; E133-Q137 WeakPolarHBondContact O-CG 3.45Å; E133-Q137 PolarHBondContact O-N 3.21Å
134D87.7Confident80.5Confident75 Ų75123.1 Ų123.140%0.40158%0.578SS.*Hα-helixtrans-60.6-43176.6-77.9-7.5000111.8K130 F131 Q137 R138K130-D134 WeakPolarHBondContact O-CB 2.85Å; K130-D134 PolarHBondContact O-N 3.1Å; F131-D134 PolarHBondContact O-N 2.9Å; D134-Q137 PolarHBondContact O-N 3.41Å; D134-R138 VanDerWaalsContact O-CG 3.23Å; D134-R138 WeakPolarHBondContact O-CG 3.37Å; D134-R138 PolarHBondContact O-N 3.43Å
135E85.3Confident80.4Confident88 Ų88119.9 Ų119.941%0.41156%0.557SS.*Hα-helixtrans-63.5-43174.3-79.3-148.1161.700112.4F131 E133 Q137 R138 Q139F131-E135 HydrophobicContact CD1-CG 4.37Å; F131-E135 HydrophobicContact CE1-CG 3.88Å; F131-E135 HydrophobicContact CZ-CG 4.17Å; F131-E135 PolarHBondContact O-N 3.2Å; E133-E135 PolarHBondContact O-N 2.97Å; E135-Q137 VanDerWaalsContact C-N 3.26Å; E135-Q137 PolarHBondContact O-N 2.94Å; E135-R138 PolarHBondContact O-N 2.86Å; E135-Q139 WeakPolarHBondContact O-CB 3.32Å; E135-Q139 VanDerWaalsContact O-CG 3.25Å; E135-Q139 WeakPolarHBondContact O-CG 3.14Å; E135-Q139 PolarHBondContact O-N 2.92Å
136K85.9Confident80.3Confident142 Ų142118 Ų11862%0.61757%0.568SS**Hα-helixtrans-61.4-35.9176.4-77.4174.5-175.8174.80112.2M132 E133M132-K136 VanDerWaalsContact O-CG 3.3Å; M132-K136 WeakPolarHBondContact O-CG 3.4Å; M132-K136 PolarHBondContact O-N 2.77Å; E133-K136 PolarHBondContact O-N 2.65Å
137Q81.3Confident80Confident130 Ų130119.8 Ų119.861%0.60760%0.598SS**Hα-helixtrans-67.9-45.1174.5-71.1-176.619.700111.3E133 D134 E135 Q139 K140E133-Q137 WeakPolarHBondContact O-CG 3.45Å; E133-Q137 PolarHBondContact O-N 3.21Å; D134-Q137 PolarHBondContact O-N 3.41Å; E135-Q137 VanDerWaalsContact C-N 3.26Å; E135-Q137 PolarHBondContact O-N 2.94Å; Q137-Q139 VanDerWaalsContact C-N 3.28Å; Q137-Q139 PolarHBondContact O-N 3.37Å; Q137-K140 PolarHBondContact O-N 2.98Å
138R77.1Confident79.9Confident209 Ų209118 Ų11879%0.78960%0.595SS**Hα-helixtrans-65.2-29.3178.5-69.8172.1-172.8-151.73.1113.5D134 E135 K140D134-R138 VanDerWaalsContact O-CG 3.23Å; D134-R138 WeakPolarHBondContact O-CG 3.37Å; D134-R138 PolarHBondContact O-N 3.43Å; E135-R138 PolarHBondContact O-N 2.86Å; R138-K140 PolarHBondContact O-N 3.34Å
139Q70.9Confident79.6Confident134 Ų134116.2 Ų116.263%0.62659%0.592SS**THydrogen-bonded Turntrans-82.118179.6-71.3-179.830.700114.1E135 Q137 P141E135-Q139 WeakPolarHBondContact O-CB 3.32Å; E135-Q139 VanDerWaalsContact O-CG 3.25Å; E135-Q139 WeakPolarHBondContact O-CG 3.14Å; E135-Q139 PolarHBondContact O-N 2.92Å; Q137-Q139 VanDerWaalsContact C-N 3.28Å; Q137-Q139 PolarHBondContact O-N 3.37Å; Q139-P141 WeakPolarHBondContact O-CD 3.23Å
140K69.4Low79Confident154 Ų154117.8 Ų117.867%0.6760%0.599SS**  trans-95.682.2170.1-71.3-179-179.8177.20111Q137 R138Q137-K140 PolarHBondContact O-N 2.98Å; R138-K140 PolarHBondContact O-N 3.34Å
141P68.2Low78.7Confident106 Ų106123.3 Ų123.369%0.68862%0.617SS**  trans-76.5137.2172.531.8-34.8000110.4Q139 P143Q139-P141 WeakPolarHBondContact O-CD 3.23Å; P141-P143 VanDerWaalsContact O-CD 3.3Å; P141-P143 WeakPolarHBondContact O-CD 3.38Å
142D70.6Confident78.1Confident70 Ų70124 Ų12437%0.37462%0.621SS.*  trans-81112.5162.1-174-9.3000110.1R144 R145D142-R144 PolarHBondContact O-N 3.12Å; D142-R144 VanDerWaalsContact O-N 3.12Å; D142-R144 WeakPolarHBondContact OD1-CB 3.3Å; D142-R144 PolarHBondContact OD1-N 3.21Å; D142-R145 HydrophobicContact CB-CB 4.35Å; D142-R145 PolarHBondContact O-N 2.95Å
143P76.9Confident77.3Confident121 Ų121123.1 Ų123.179%0.78664%0.638SS**G310 helixtrans-62.1-20.7-179.8-21.634.7000113.7P141 R145P141-P143 VanDerWaalsContact O-CD 3.3Å; P141-P143 WeakPolarHBondContact O-CD 3.38Å; P143-R145 VanDerWaalsContact C-N 3.35Å
144R78.3Confident76.2Confident233 Ų233128.5 Ų128.588%0.87967%0.67SS**G310 helixtrans-81.2-14.1-177.8-61.2176.4177.1159.4-0.2113.3D142 G146D142-R144 PolarHBondContact O-N 3.12Å; D142-R144 VanDerWaalsContact O-N 3.12Å; D142-R144 WeakPolarHBondContact OD1-CB 3.3Å; D142-R144 PolarHBondContact OD1-N 3.21Å; R144-G146 VanDerWaalsContact C-N 3.31Å; R144-G146 PolarHBondContact O-N 3.47Å
145R72.7Confident75.6Confident92 Ų92131.2 Ų131.235%0.34768%0.683SS.*G310 helixtrans-80.7-5.5-177.6-105.5172.9170.7-107.55.4114.5D142 P143 G147 V148 T149 E150D142-R145 HydrophobicContact CB-CB 4.35Å; D142-R145 PolarHBondContact O-N 2.95Å; P143-R145 VanDerWaalsContact C-N 3.35Å; R145-G147 PolarHBondContact O-N 3.1Å; R145-V148 PolarHBondContact NH1-O 3.17Å; R145-V148 WeakPolarHBondContact O-CG2 3.45Å; R145-V148 PolarHBondContact O-N 3.04Å; R145-V148 VanDerWaalsContact O-N 3.1Å; R145-T149 PolarHBondContact NH1-O 2.74Å; R145-E150 VanDerWaalsContact NH1-CA 3.32Å
146G76.1Confident75.1Confident76 Ų76133.5 Ų133.578%0.78470%0.697SS**THydrogen-bonded Turntrans58.523.8173.700000115.1R144R144-G146 VanDerWaalsContact C-N 3.31Å; R144-G146 PolarHBondContact O-N 3.47Å
147G75.9Confident74.5Confident79 Ų79133 Ų13381%0.81470%0.702SS**THydrogen-bonded Turntrans91.86.2-179.500000116R145R145-G147 PolarHBondContact O-N 3.1Å
148V79.2Confident74.1Confident100 Ų100133.2 Ų133.261%0.60671%0.707SS**  trans-78.3132.5175.8-176.50000111.2R145R145-V148 PolarHBondContact NH1-O 3.17Å; R145-V148 WeakPolarHBondContact O-CG2 3.45Å; R145-V148 PolarHBondContact O-N 3.04Å; R145-V148 VanDerWaalsContact O-N 3.1Å
149T79Confident73.9Confident86 Ų86128.4 Ų128.453%0.52870%0.702SS.*  trans-66.1142.7-173.960.70000113.5R145 W151R145-T149 PolarHBondContact NH1-O 2.74Å; T149-W151 VanDerWaalsContact C-N 3.25Å; T149-W151 PolarHBondContact O-N 3.37Å
150E73.3Confident74.1Confident122 Ų122128.1 Ų128.157%0.5771%0.707SS**THydrogen-bonded Turntrans-80.10.2-178.9-71.1179.418000114.6R145R145-E150 VanDerWaalsContact NH1-CA 3.32Å
151W79.8Confident74.4Confident225 Ų225126.2 Ų126.285%0.85271%0.71SS**THydrogen-bonded Turntrans-73.4-31.8-175.6-176.9-96.6000114.3T149T149-W151 VanDerWaalsContact C-N 3.25Å; T149-W151 PolarHBondContact O-N 3.37Å
152F77.3Confident74.9Confident141 Ų141127.8 Ų127.862%0.61871%0.712SS**  trans-94.4119.6-179.2-62-80.6000110.2
153G70.3Confident75.2Confident86 Ų86132.6 Ų132.689%0.88774%0.74SS**  trans-103.931.9179.300000114.4
154L64Low75.1Confident230 Ų230133.6 Ų133.6100%1.20474%0.735SS**  trans-68.80177-102.2151.7000112.5

Retrieved 154 of 154 residues in 908.6 ms (Link to these results)