A0A096MLU8_PAPAN Loading...

40S ribosomal protein S4

AlphaFold DB (P62701), UniProt , Accession A0A096MLU8, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 263 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
1M74.5Confident92.7Very high196 Ų196120 Ų12097%0.96661%0.612SS**  0146.30-63177.2179.800109.2R3M1-R3 HydrophobicContact CB-CG 4.44Å; M1-R3 PolarHBondContact O-N 3.4Å; M1-R3 VanDerWaalsContact O-N 3.08Å
2A89.2Confident93Very high108 Ų108120.8 Ų120.889%0.89363%0.626SS**  trans-8460.5179.200000111.1
3R91.5Very high93.2Very high227 Ų227115 Ų11586%0.85761%0.607SS**SBendtrans-123.420.7-177.5-65.4-173.3-179174.2-0.3113M1M1-R3 HydrophobicContact CB-CG 4.44Å; M1-R3 PolarHBondContact O-N 3.4Å; M1-R3 VanDerWaalsContact O-N 3.08Å
4G94.4Very high93.5Very high49 Ų49107.8 Ų107.851%0.50557%0.572SS.*SBendtrans147.3-174.6-176.100000113.3K6G4-K6 PolarHBondContact O-N 2.88Å
5P94.4Very high93.7Very high119 Ų119101.2 Ų101.277%0.77354%0.537SS*.  trans-62.4127.6-179.525.9-33.7000110.6K7P5-K7 PolarHBondContact O-N 3.14Å
6K94.3Very high93.9Very high158 Ų158107.5 Ų107.569%0.68756%0.559SS**  trans-61.8132.2174.6-64.2-176.4179.8-179.30108.9G4 R30G4-K6 PolarHBondContact O-N 2.88Å; K6-R30 PolarHBondContact O-NE 3.41Å; K6-R30 VanDerWaalsContact O-NE 3.12Å; K6-R30 PolarHBondContact O-NH1 3.08Å; K6-R30 PolarHBondContact O-NH2 2.98Å
7K95Very high94Very high175 Ų175103.1 Ų103.176%0.76154%0.535SS*.  trans-99.2-13.1178.4-63.4-174.4179.4-178.80114.4P5 R30P5-K7 PolarHBondContact O-N 3.14Å; K7-R30 WeakPolarHBondContact O-CD 3.49Å
8H96.3Very high94.1Very high135 Ų13597.4 Ų97.463%0.62551%0.505SS*.  trans-113152.5-176.3-61.593.2000111.7F27 R30H8-F27 HydrophobicContact CB-CD1 4.33Å; H8-F27 HydrophobicContact CB-CE1 4.15Å; H8-R30 PolarHBondContact O-NH1 3.42Å
9L96.7Very high94.2Very high15 Ų1596.3 Ų96.38%0.07950%0.498CS..EExtended strand (participates in β ladder)trans-125.8120.9170.9-177.263.3000108.3A13 A14 W18 A28 R30L9-A13 HydrophobicContact CD1-CB 4.44Å; L9-A14 HydrophobicContact CD2-CB 4.2Å; L9-W18 HydrophobicContact CD2-CH2 3.95Å; L9-W18 HydrophobicContact CD2-CZ3 3.73Å; L9-A28 HydrophobicContact CD2-CB 4.17Å; L9-A28 HydrophobicContact CG-CB 4.24Å; L9-A28 PolarHBondContact O-N 2.93Å; L9-R30 HydrophobicContact CB-CB 3.93Å; L9-R30 HydrophobicContact CB-CG 4.18Å
10K97.2Very high94.2Very high108 Ų10893.1 Ų93.147%0.4748%0.482SS..EExtended strand (participates in β ladder)trans-71143.4173.9-68.7-69.4-171.2167.50109.2V12 A13 A14 V26 F27K10-V12 HydrophobicContact CB-CG2 4.41Å; K10-V12 PolarHBondContact O-N 3.24Å; K10-A13 HydrophobicContact CB-CB 4.16Å; K10-A13 PolarHBondContact O-N 2.97Å; K10-A14 PolarHBondContact O-N 2.84Å; K10-V26 HydrophobicContact CD-CG1 4.05Å; K10-F27 HydrophobicContact CD-CD1 4.36Å; K10-F27 HydrophobicContact CD-CE1 4.18Å
11R96.6Very high94.3Very high30 Ų3091.6 Ų91.611%0.11348%0.475CS..G310 helixtrans-62-43.6-174.1-167.7173-73.2-158.66113.1A13 A14 L20 D21 T24 G25 V26 F27 A28R11-A13 PolarHBondContact O-N 3.42Å; R11-A14 WeakPolarHBondContact O-CB 3.43Å; R11-A14 PolarHBondContact O-N 3.34Å; R11-A14 VanDerWaalsContact O-N 3.12Å; R11-L20 HydrophobicContact CG-CB 4.12Å; R11-L20 HydrophobicContact CG-CD1 4.2Å; R11-D21 WeakPolarHBondContact CD-O 3.37Å; R11-D21 IonicContact NH1-OD1 3.08Å; R11-D21 PolarHBondContact NH1-OD1 3.32Å; R11-D21 IonicContact NH1-OD2 3.3Å; R11-D21 PolarHBondContact NH1-OD2 2.89Å; R11-T24 PolarHBondContact NH1-OG1 3.02Å; R11-G25 VanDerWaalsContact CD-O 3.25Å; R11-G25 WeakPolarHBondContact CD-O 3.45Å; R11-G25 PolarHBondContact NE-O 2.99Å; R11-G25 VanDerWaalsContact NE-O 3.15Å; R11-V26 WeakPolarHBondContact CB-O 3.3Å; R11-V26 PolarHBondContact N-O 2.94Å; R11-F27 PolarHBondContact NE-O 2.8Å; R11-A28 HydrophobicContact CB-CB 4.43Å; R11-A28 HydrophobicContact CG-CB 4.43Å
12V95.7Very high95.2Very high130 Ų13090.9 Ų90.979%0.78847%0.466SS*.G310 helixtrans-63.7-22174.7-63.70000113.9K10K10-V12 HydrophobicContact CB-CG2 4.41Å; K10-V12 PolarHBondContact O-N 3.24Å
13A96.5Very high95.5Very high45 Ų4593.6 Ų93.637%0.37247%0.465SS..G310 helixtrans-93.4-3.1178.400000113L9 K10 R11 R39L9-A13 HydrophobicContact CD1-CB 4.44Å; K10-A13 HydrophobicContact CB-CB 4.16Å; K10-A13 PolarHBondContact O-N 2.97Å; R11-A13 PolarHBondContact O-N 3.42Å; A13-R39 PolarHBondContact O-NH1 3.01Å; A13-R39 PolarHBondContact O-NH2 2.96Å
14A96.8Very high95.6Very high14 Ų1487.8 Ų87.812%0.11646%0.455CS..SBendtrans-68158.2178.600000111.8L9 K10 R11 K16 W18 L20 A28L9-A14 HydrophobicContact CD2-CB 4.2Å; K10-A14 PolarHBondContact O-N 2.84Å; R11-A14 WeakPolarHBondContact O-CB 3.43Å; R11-A14 PolarHBondContact O-N 3.34Å; R11-A14 VanDerWaalsContact O-N 3.12Å; A14-K16 PolarHBondContact O-N 3.27Å; A14-W18 HydrophobicContact CB-CE3 3.88Å; A14-W18 HydrophobicContact CB-CZ3 4.05Å; A14-L20 HydrophobicContact CB-CD1 4.05Å; A14-A28 HydrophobicContact CB-CB 3.76Å
15P96.9Very high95.4Very high9 Ų986.8 Ų86.86%0.05845%0.445CS..  trans-55.7128.6172.8-24.234000112.6H17 W18P15-H17 WeakPolarHBondContact CB-CE1 3.46Å; P15-H17 WeakPolarHBondContact CB-ND1 3.5Å; P15-H17 PolarHBondContact O-N 3.01Å; P15-W18 HydrophobicContact CB-CD2 4.15Å; P15-W18 HydrophobicContact CB-CG 4.22Å; P15-W18 HydrophobicContact CB-CZ2 4.44Å; P15-W18 HydrophobicContact CG-CD2 3.99Å; P15-W18 HydrophobicContact CG-CE3 4.38Å; P15-W18 HydrophobicContact CG-CH2 3.95Å; P15-W18 HydrophobicContact CG-CZ2 3.56Å; P15-W18 HydrophobicContact CG-CZ3 4.38Å; P15-W18 WeakPolarHBondContact O-CB 3.43Å; P15-W18 PolarHBondContact O-N 3.49Å
16K96.2Very high95.5Very high202 Ų20285.6 Ų85.688%0.87844%0.435SS*.G310 helixtrans-57.1-34.4-178-172.2176-179.5179.50112.9A14 W18 M19A14-K16 PolarHBondContact O-N 3.27Å; K16-W18 PolarHBondContact O-N 3.08Å; K16-M19 PolarHBondContact O-N 3.25Å; K16-M19 VanDerWaalsContact O-N 3.1Å
17H95.8Very high95.7Very high33 Ų3383.1 Ų83.115%0.15342%0.424CS..G310 helixtrans-69.6-9.9-179.271.4-93.6000113.9P15 M19 R39 R51 G107 F109P15-H17 WeakPolarHBondContact CB-CE1 3.46Å; P15-H17 WeakPolarHBondContact CB-ND1 3.5Å; P15-H17 PolarHBondContact O-N 3.01Å; H17-M19 PolarHBondContact O-N 3.48Å; H17-R39 PolarHBondContact CE1-O 3.4Å; H17-R51 PolarHBondContact O-NH2 2.96Å; H17-R51 VanDerWaalsContact O-NH2 3.08Å; H17-G107 VanDerWaalsContact CB-O 3.32Å; H17-G107 WeakPolarHBondContact CB-O 3.32Å; H17-F109 AromaticContact CD2-CD2 3.72Å; H17-F109 AromaticContact CD2-CE2 3.96Å; H17-F109 AromaticContact NE2-CD2 3.86Å; H17-F109 AromaticContact NE2-CE2 3.65Å
18W96.5Very high95.8Very high0 Ų075.3 Ų75.30%039%0.392CS..G310 helixtrans-72.5-17.6170.5-66.4-4.3000112.8L9 A14 P15 K16 L20 P29 P31 C41 L42 P43 I46 R51L9-W18 HydrophobicContact CD2-CH2 3.95Å; L9-W18 HydrophobicContact CD2-CZ3 3.73Å; A14-W18 HydrophobicContact CB-CE3 3.88Å; A14-W18 HydrophobicContact CB-CZ3 4.05Å; P15-W18 HydrophobicContact CB-CD2 4.15Å; P15-W18 HydrophobicContact CB-CG 4.22Å; P15-W18 HydrophobicContact CB-CZ2 4.44Å; P15-W18 HydrophobicContact CG-CD2 3.99Å; P15-W18 HydrophobicContact CG-CE3 4.38Å; P15-W18 HydrophobicContact CG-CH2 3.95Å; P15-W18 HydrophobicContact CG-CZ2 3.56Å; P15-W18 HydrophobicContact CG-CZ3 4.38Å; P15-W18 WeakPolarHBondContact O-CB 3.43Å; P15-W18 PolarHBondContact O-N 3.49Å; K16-W18 PolarHBondContact O-N 3.08Å; W18-L20 VanDerWaalsContact C-N 3.28Å; W18-L20 HydrophobicContact CB-CG 4.07Å; W18-L20 HydrophobicContact CE3-CD1 4.02Å; W18-L20 PolarHBondContact O-N 3.37Å; W18-P29 WeakPolarHBondContact CZ3-O 3.34Å; W18-P31 HydrophobicContact CH2-CG 3.58Å; W18-P31 HydrophobicContact CZ2-CG 3.85Å; W18-C41 PolarHBondContact NE1-O 3.15Å; W18-L42 HydrophobicContact CG-CD1 4.45Å; W18-P43 HydrophobicContact CH2-CG 3.88Å; W18-P43 HydrophobicContact CZ2-CG 3.9Å; W18-P43 HydrophobicContact CZ3-CG 4.32Å; W18-I46 HydrophobicContact CB-CD1 4.05Å; W18-I46 HydrophobicContact CD2-CD1 3.49Å; W18-I46 VanDerWaalsContact CD2-CD1 3.49Å; W18-I46 HydrophobicContact CE3-CD1 3.29Å; W18-I46 HydrophobicContact CG-CD1 3.84Å; W18-I46 HydrophobicContact CZ3-CD1 3.97Å; W18-R51 PolarHBondContact O-NH1 3.23Å; W18-R51 PolarHBondContact O-NH2 3.11Å
19M95.1Very high95.8Very high77 Ų7769.8 Ų69.838%0.37937%0.369SS..  trans54.844.2-179.9-49-177.5-117.800111.9K16 H17 R108K16-M19 PolarHBondContact O-N 3.25Å; K16-M19 VanDerWaalsContact O-N 3.1Å; H17-M19 PolarHBondContact O-N 3.48Å; M19-R108 HydrophobicContact CE-CB 3.76Å; M19-R108 VanDerWaalsContact CE-CD 3.49Å; M19-R108 HydrophobicContact CE-CG 4.02Å
20L95.5Very high95.8Very high32 Ų3273 Ų7317%0.16838%0.38CS..  trans-78.6135.4171.1-62.1-177.9000109.2R11 A14 W18 A28 I46R11-L20 HydrophobicContact CG-CB 4.12Å; R11-L20 HydrophobicContact CG-CD1 4.2Å; A14-L20 HydrophobicContact CB-CD1 4.05Å; W18-L20 VanDerWaalsContact C-N 3.28Å; W18-L20 HydrophobicContact CB-CG 4.07Å; W18-L20 HydrophobicContact CE3-CD1 4.02Å; W18-L20 PolarHBondContact O-N 3.37Å; L20-A28 HydrophobicContact CD1-CB 3.58Å; L20-I46 HydrophobicContact CD1-CD1 4.36Å; L20-I46 HydrophobicContact CD2-CD1 4.2Å
21D95.3Very high95.9Very high62 Ų6268.5 Ų68.533%0.33236%0.361SS..  trans-70.4163.6174.566.2-70.9000111.3R11 L23 T24R11-D21 WeakPolarHBondContact CD-O 3.37Å; R11-D21 IonicContact NH1-OD1 3.08Å; R11-D21 PolarHBondContact NH1-OD1 3.32Å; R11-D21 IonicContact NH1-OD2 3.3Å; R11-D21 PolarHBondContact NH1-OD2 2.89Å; D21-L23 PolarHBondContact OD2-N 3.17Å; D21-T24 PolarHBondContact OD1-OG1 2.82Å; D21-T24 VanDerWaalsContact OD2-CB 3.3Å; D21-T24 WeakPolarHBondContact OD2-CB 3.47Å; D21-T24 VanDerWaalsContact OD2-CG2 3.27Å; D21-T24 WeakPolarHBondContact OD2-CG2 3.31Å; D21-T24 PolarHBondContact OD2-N 2.94Å; D21-T24 PolarHBondContact OD2-OG1 2.9Å
22K94Very high95.9Very high181 Ų18169 Ų6979%0.78737%0.369SS*.SBendtrans-84.3-22.6-176.6-61.9-177.3-173.6176.80114
23L94.8Very high96Very high164 Ų16470 Ų7086%0.85938%0.376SS*.SBendtrans-107.4-34.4-157.8-63.1177.2000114.3D21 G25D21-L23 PolarHBondContact OD2-N 3.17Å; L23-G25 PolarHBondContact O-N 3.4Å
24T93Very high95.9Very high106 Ų10669.9 Ų69.965%0.6538%0.379SS*.SBendtrans-75.34.7-17261.60000114.1R11 D21R11-T24 PolarHBondContact NH1-OG1 3.02Å; D21-T24 PolarHBondContact OD1-OG1 2.82Å; D21-T24 VanDerWaalsContact OD2-CB 3.3Å; D21-T24 WeakPolarHBondContact OD2-CB 3.47Å; D21-T24 VanDerWaalsContact OD2-CG2 3.27Å; D21-T24 WeakPolarHBondContact OD2-CG2 3.31Å; D21-T24 PolarHBondContact OD2-N 2.94Å; D21-T24 PolarHBondContact OD2-OG1 2.9Å
25G91.8Very high95.9Very high28 Ų2871 Ų7129%0.28939%0.385SS..  trans170.9157.4169.800000115.2R11 L23R11-G25 VanDerWaalsContact CD-O 3.25Å; R11-G25 WeakPolarHBondContact CD-O 3.45Å; R11-G25 PolarHBondContact NE-O 2.99Å; R11-G25 VanDerWaalsContact NE-O 3.15Å; L23-G25 PolarHBondContact O-N 3.4Å
26V96.8Very high96Very high94 Ų9471.4 Ų71.457%0.5739%0.386SS*.SBendtrans-76.8-31.5-178.4179.40000112.4K10 R11K10-V26 HydrophobicContact CD-CG1 4.05Å; R11-V26 WeakPolarHBondContact CB-O 3.3Å; R11-V26 PolarHBondContact N-O 2.94Å
27F97.3Very high96Very high105 Ų10567.3 Ų67.346%0.46137%0.368SS..EExtended strand (participates in β ladder)trans-105.7151.5-175-62.4-77.9000112.2H8 K10 R11H8-F27 HydrophobicContact CB-CD1 4.33Å; H8-F27 HydrophobicContact CB-CE1 4.15Å; K10-F27 HydrophobicContact CD-CD1 4.36Å; K10-F27 HydrophobicContact CD-CE1 4.18Å; R11-F27 PolarHBondContact NE-O 2.8Å
28A97.1Very high96Very high11 Ų1168.2 Ų68.29%0.09137%0.374CS..EExtended strand (participates in β ladder)trans-107.7154.2166.400000109.7L9 R11 A14 L20 R30L9-A28 HydrophobicContact CD2-CB 4.17Å; L9-A28 HydrophobicContact CG-CB 4.24Å; L9-A28 PolarHBondContact O-N 2.93Å; R11-A28 HydrophobicContact CB-CB 4.43Å; R11-A28 HydrophobicContact CG-CB 4.43Å; A14-A28 HydrophobicContact CB-CB 3.76Å; L20-A28 HydrophobicContact CD1-CB 3.58Å; A28-R30 PolarHBondContact O-N 2.78Å; A28-R30 VanDerWaalsContact O-N 3.11Å
29P96.9Very high96Very high20 Ų2075 Ų7513%0.1340%0.4CS..PPolyproline II helixtrans-56.1118.7167.8-21.833.4000109.7W18 P31 P43 I45 I46 T81W18-P29 WeakPolarHBondContact CZ3-O 3.34Å; P29-P31 WeakPolarHBondContact O-CD 3.45Å; P29-P43 HydrophobicContact CB-CB 4.39Å; P29-I45 HydrophobicContact CB-CG2 3.47Å; P29-I45 VanDerWaalsContact CB-CG2 3.47Å; P29-I45 HydrophobicContact CG-CD1 4.3Å; P29-I45 HydrophobicContact CG-CG2 3.62Å; P29-I46 HydrophobicContact CG-CD1 4.32Å; P29-I46 HydrophobicContact CG-CG1 4.06Å; P29-T81 HydrophobicContact CB-CG2 4.26Å
30R97.3Very high96Very high83 Ų8375.1 Ų75.131%0.31340%0.399SS..PPolyproline II helixtrans-85.3119.5173.7-173.6178.4-179.2108.73.7107.6K6 K7 H8 L9 A28 T81K6-R30 PolarHBondContact O-NE 3.41Å; K6-R30 VanDerWaalsContact O-NE 3.12Å; K6-R30 PolarHBondContact O-NH1 3.08Å; K6-R30 PolarHBondContact O-NH2 2.98Å; K7-R30 WeakPolarHBondContact O-CD 3.49Å; H8-R30 PolarHBondContact O-NH1 3.42Å; L9-R30 HydrophobicContact CB-CB 3.93Å; L9-R30 HydrophobicContact CB-CG 4.18Å; A28-R30 PolarHBondContact O-N 2.78Å; A28-R30 VanDerWaalsContact O-N 3.11Å; R30-T81 WeakPolarHBondContact O-CB 3.47Å; R30-T81 WeakPolarHBondContact O-CG2 3.41Å
31P97.9Very high96Very high12 Ų1273.6 Ų73.68%0.07839%0.391CS..PPolyproline II helixtrans-62.6142.4178.1-7.415.2000110.5W18 P29 L38 P43 T81 P83W18-P31 HydrophobicContact CH2-CG 3.58Å; W18-P31 HydrophobicContact CZ2-CG 3.85Å; P29-P31 WeakPolarHBondContact O-CD 3.45Å; P31-L38 HydrophobicContact CG-CG 4Å; P31-P43 HydrophobicContact CB-CG 4.04Å; P31-P43 HydrophobicContact CG-CG 3.72Å; P31-T81 WeakPolarHBondContact CA-O 3.26Å; P31-P83 HydrophobicContact CB-CB 4.03Å
32S97.2Very high96.1Very high41 Ų4170.7 Ų70.729%0.28738%0.376SS..PPolyproline II helixtrans-61.7158.7168.7-61.90000110.6G34 D79 T81 P83S32-G34 PolarHBondContact O-N 3.39Å; S32-D79 VanDerWaalsContact CB-OD2 3.23Å; S32-D79 WeakPolarHBondContact CB-OD2 3.48Å; S32-D79 PolarHBondContact OG-OD2 2.91Å; S32-T81 PolarHBondContact N-O 3.34Å; S32-T81 PolarHBondContact OG-OG1 2.77Å; S32-P83 WeakPolarHBondContact O-CG 3.38Å
33T96.9Very high96.2Very high151 Ų15162.1 Ų62.193%0.92634%0.338SS*.SBendtrans-69.5122.1169.650.10000109.1
34G95.9Very high96.3Very high42 Ų4254.3 Ų54.343%0.43330%0.297SS..SBendtrans-158.9-156.9-177.700000112.7S32 H36S32-G34 PolarHBondContact O-N 3.39Å; G34-H36 VanDerWaalsContact C-N 3.31Å; G34-H36 PolarHBondContact O-N 3.37Å
35P96.6Very high96.5Very high38 Ų3849.9 Ų49.925%0.24727%0.27CS..SBendtrans-56.9-40.2-172.9-30.338.7000114.4Y82 D143P35-Y82 WeakPolarHBondContact CG-OH 3.13Å; P35-D143 HydrophobicContact CB-CB 4.07Å; P35-D143 WeakPolarHBondContact CB-O 3.17Å
36H97.3Very high96.8Very high18 Ų1848.5 Ų48.58%0.08326%0.256CS..SBendtrans-108.6149.7-172.5-62-81.8000112G34 C41 G85 F86 D88 H142G34-H36 VanDerWaalsContact C-N 3.31Å; G34-H36 PolarHBondContact O-N 3.37Å; H36-C41 HydrophobicContact CB-CB 3.86Å; H36-G85 WeakPolarHBondContact CD2-CA 3.22Å; H36-G85 PolarHBondContact CD2-N 2.72Å; H36-G85 VanDerWaalsContact CD2-N 3.28Å; H36-F86 PolarHBondContact CE1-O 2.81Å; H36-D88 IonicContact CD2-OD1 3.78Å; H36-D88 IonicContact CD2-OD2 2.88Å; H36-D88 PolarHBondContact CD2-OD2 3.35Å; H36-D88 VanDerWaalsContact CD2-OD2 3.3Å; H36-D88 IonicContact CE1-OD1 2.76Å; H36-D88 VanDerWaalsContact NE2-CG 3.28Å; H36-D88 IonicContact NE2-OD1 3.99Å; H36-D88 PolarHBondContact NE2-OD1 3.34Å; H36-D88 IonicContact NE2-OD2 3.73Å; H36-D88 PolarHBondContact NE2-OD2 2.78Å; H36-D88 VanDerWaalsContact NE2-OD2 3.08Å; H36-H142 AromaticContact CE1-CD2 3.94Å; H36-H142 AromaticContact CE1-NE2 3.79Å
37K96.7Very high96.8Very high116 Ų11644.1 Ų44.150%0.50423%0.229SC..  trans-68.2150.6179.6-61.4-178-163.7151.80111.3R39 E40 C41K37-R39 PolarHBondContact O-N 3.38Å; K37-E40 HydrophobicContact CB-CB 4.37Å; K37-E40 WeakPolarHBondContact CD-OE2 3.23Å; K37-E40 IonicContact NZ-OE1 2.74Å; K37-E40 IonicContact NZ-OE2 2.67Å; K37-E40 CarbonylContact O-C 3.49Å; K37-E40 PolarHBondContact O-N 3.48Å; K37-C41 WeakPolarHBondContact O-CB 3.49Å; K37-C41 PolarHBondContact O-N 3.21Å; K37-C41 PolarHBondContact O-SG 3.06Å; K37-C41 VanDerWaalsContact O-SG 3.39Å
38L96.8Very high96.7Very high51 Ų5139.2 Ų39.227%0.26721%0.208SC..THydrogen-bonded Turntrans-51.8-35.2179.2-178.2152.8000114.2P31P31-L38 HydrophobicContact CG-CG 4Å
39R96Very high96.7Very high144 Ų14441 Ų4154%0.54321%0.212SC..THydrogen-bonded Turntrans-87.5-6.4-178.9-64.8-63.6-166.5-176.7-2.4113.7A13 H17 K37A13-R39 PolarHBondContact O-NH1 3.01Å; A13-R39 PolarHBondContact O-NH2 2.96Å; H17-R39 PolarHBondContact CE1-O 3.4Å; K37-R39 PolarHBondContact O-N 3.38Å
40E94.4Very high96.7Very high79 Ų7941.4 Ų41.437%0.36921%0.213SC..SBendtrans-126.817.8-173.5-64.8166.7-177.700111.2K37 F109K37-E40 HydrophobicContact CB-CB 4.37Å; K37-E40 WeakPolarHBondContact CD-OE2 3.23Å; K37-E40 IonicContact NZ-OE1 2.74Å; K37-E40 IonicContact NZ-OE2 2.67Å; K37-E40 CarbonylContact O-C 3.49Å; K37-E40 PolarHBondContact O-N 3.48Å; E40-F109 WeakPolarHBondContact O-CZ 3.47Å
41C96.6Very high96.6Very high0 Ų039.6 Ų39.60%021%0.206CC..EExtended strand (participates in β ladder)trans-127.3165.6-18072.90000111.7W18 H36 K37 P83 A84W18-C41 PolarHBondContact NE1-O 3.15Å; H36-C41 HydrophobicContact CB-CB 3.86Å; K37-C41 WeakPolarHBondContact O-CB 3.49Å; K37-C41 PolarHBondContact O-N 3.21Å; K37-C41 PolarHBondContact O-SG 3.06Å; K37-C41 VanDerWaalsContact O-SG 3.39Å; C41-P83 HydrophobicContact CB-CB 3.76Å; C41-P83 VanDerWaalsContact SG-CB 3.58Å; C41-A84 CarbonylContact C-O 3.54Å; C41-A84 WeakPolarHBondContact CA-O 3.16Å; C41-A84 WeakPolarHBondContact CB-O 3.44Å
42L96.2Very high96.5Very high1 Ų140.3 Ų40.31%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-121.6109.8172.2-170.470.2000108.2W18 L44 I46 F47 A84 L101 F109W18-L42 HydrophobicContact CG-CD1 4.45Å; L42-L44 PolarHBondContact O-N 2.8Å; L42-I46 HydrophobicContact CD1-CB 3.96Å; L42-I46 HydrophobicContact CD1-CG2 3.6Å; L42-I46 HydrophobicContact CG-CB 4.41Å; L42-I46 HydrophobicContact CG-CG2 4.47Å; L42-F47 HydrophobicContact CD2-CB 3.87Å; L42-F47 HydrophobicContact CD2-CD2 3.81Å; L42-F47 HydrophobicContact CD2-CG 4.32Å; L42-F47 HydrophobicContact CG-CB 4.42Å; L42-A84 PolarHBondContact N-O 2.81Å; L42-A84 PolarHBondContact O-N 3.07Å; L42-L101 HydrophobicContact CD2-CD2 4.33Å; L42-F109 HydrophobicContact CB-CD2 3.88Å; L42-F109 HydrophobicContact CB-CE2 4.22Å; L42-F109 HydrophobicContact CB-CG 4.38Å; L42-F109 HydrophobicContact CD2-CB 4.16Å
43P97.6Very high96.4Very high0 Ų045.3 Ų45.30%023%0.226CC..EExtended strand (participates in β ladder)trans-54.2138.9171.4-27.433.9000111.5W18 P29 P31 I45 I46 F47 Y82W18-P43 HydrophobicContact CH2-CG 3.88Å; W18-P43 HydrophobicContact CZ2-CG 3.9Å; W18-P43 HydrophobicContact CZ3-CG 4.32Å; P29-P43 HydrophobicContact CB-CB 4.39Å; P31-P43 HydrophobicContact CB-CG 4.04Å; P31-P43 HydrophobicContact CG-CG 3.72Å; P43-I45 HydrophobicContact CB-CG2 3.86Å; P43-I45 PolarHBondContact O-N 2.85Å; P43-I45 VanDerWaalsContact O-N 3.15Å; P43-I46 HydrophobicContact CB-CD1 4.43Å; P43-I46 HydrophobicContact CB-CG1 4.24Å; P43-I46 HydrophobicContact CG-CD1 4.08Å; P43-I46 HydrophobicContact CG-CG1 4.43Å; P43-I46 WeakPolarHBondContact O-CB 3.44Å; P43-I46 PolarHBondContact O-N 2.72Å; P43-F47 PolarHBondContact O-N 2.91Å; P43-Y82 WeakPolarHBondContact CA-O 3.43Å
44L96.6Very high96.3Very high0 Ų042.5 Ų42.50%020%0.199CC..Hα-helixtrans-54.4-37.4-177.9-174.257.6000113.4L42 I46 F47 L48 C65 I70 I72 I80 Y82L42-L44 PolarHBondContact O-N 2.8Å; L44-I46 VanDerWaalsContact C-N 3.31Å; L44-I46 PolarHBondContact O-N 2.88Å; L44-F47 HydrophobicContact CD1-CD1 4.34Å; L44-F47 WeakPolarHBondContact O-CB 3.37Å; L44-F47 PolarHBondContact O-N 3.31Å; L44-F47 VanDerWaalsContact O-N 3.13Å; L44-L48 HydrophobicContact CD1-CG 4.28Å; L44-L48 HydrophobicContact CG-CD1 4.41Å; L44-L48 HydrophobicContact CG-CG 4.45Å; L44-L48 PolarHBondContact O-N 3.05Å; L44-C65 VanDerWaalsContact CD2-SG 3.59Å; L44-I70 HydrophobicContact CD1-CD1 4.29Å; L44-I70 HydrophobicContact CD1-CG2 4.04Å; L44-I70 HydrophobicContact CD2-CD1 4Å; L44-I70 HydrophobicContact CD2-CG2 4.03Å; L44-I70 HydrophobicContact CG-CD1 4.34Å; L44-I72 HydrophobicContact CD1-CD1 4.31Å; L44-I72 HydrophobicContact CD2-CD1 4.38Å; L44-I80 PolarHBondContact N-O 2.82Å; L44-Y82 PolarHBondContact N-O 2.99Å
45I97.5Very high96.4Very high13 Ų1340.6 Ų40.67%0.06718%0.179CC..Hα-helixtrans-57-39173-176.9171.5000113.5P29 P43 R49 V61 I80P29-I45 HydrophobicContact CB-CG2 3.47Å; P29-I45 VanDerWaalsContact CB-CG2 3.47Å; P29-I45 HydrophobicContact CG-CD1 4.3Å; P29-I45 HydrophobicContact CG-CG2 3.62Å; P43-I45 HydrophobicContact CB-CG2 3.86Å; P43-I45 PolarHBondContact O-N 2.85Å; P43-I45 VanDerWaalsContact O-N 3.15Å; I45-R49 WeakPolarHBondContact O-CB 3.49Å; I45-R49 PolarHBondContact O-N 3.07Å; I45-V61 HydrophobicContact CB-CG1 3.92Å; I45-V61 HydrophobicContact CG1-CB 4.29Å; I45-V61 HydrophobicContact CG1-CG1 4.08Å; I45-V61 HydrophobicContact CG1-CG2 4.1Å; I45-I80 WeakPolarHBondContact CB-O 3.42Å; I45-I80 WeakPolarHBondContact CG2-O 3.35Å; I45-I80 PolarHBondContact N-O 3Å
46I96.9Very high96.4Very high0 Ų045.7 Ų45.70%020%0.204CC..Iπ-helixtrans-72.6-37.6178-58.3-174.4000109.7W18 L20 P29 L42 P43 L44 N50 R51W18-I46 HydrophobicContact CB-CD1 4.05Å; W18-I46 HydrophobicContact CD2-CD1 3.49Å; W18-I46 VanDerWaalsContact CD2-CD1 3.49Å; W18-I46 HydrophobicContact CE3-CD1 3.29Å; W18-I46 HydrophobicContact CG-CD1 3.84Å; W18-I46 HydrophobicContact CZ3-CD1 3.97Å; L20-I46 HydrophobicContact CD1-CD1 4.36Å; L20-I46 HydrophobicContact CD2-CD1 4.2Å; P29-I46 HydrophobicContact CG-CD1 4.32Å; P29-I46 HydrophobicContact CG-CG1 4.06Å; L42-I46 HydrophobicContact CD1-CB 3.96Å; L42-I46 HydrophobicContact CD1-CG2 3.6Å; L42-I46 HydrophobicContact CG-CB 4.41Å; L42-I46 HydrophobicContact CG-CG2 4.47Å; P43-I46 HydrophobicContact CB-CD1 4.43Å; P43-I46 HydrophobicContact CB-CG1 4.24Å; P43-I46 HydrophobicContact CG-CD1 4.08Å; P43-I46 HydrophobicContact CG-CG1 4.43Å; P43-I46 WeakPolarHBondContact O-CB 3.44Å; P43-I46 PolarHBondContact O-N 2.72Å; L44-I46 VanDerWaalsContact C-N 3.31Å; L44-I46 PolarHBondContact O-N 2.88Å; I46-N50 HydrophobicContact CG2-CB 4.02Å; I46-N50 WeakPolarHBondContact O-CA 3.48Å; I46-N50 VanDerWaalsContact O-CB 3.3Å; I46-N50 WeakPolarHBondContact O-CB 3.21Å; I46-N50 PolarHBondContact O-N 3.22Å; I46-R51 PolarHBondContact O-N 3.12Å
47F96.8Very high96.3Very high2 Ų247.9 Ų47.91%0.00922%0.218CC..Iπ-helixtrans-62.2-53.1176.2-175.1-108.1000111.8L42 P43 L44 R51 L52 I90 F99 L101 V111L42-F47 HydrophobicContact CD2-CB 3.87Å; L42-F47 HydrophobicContact CD2-CD2 3.81Å; L42-F47 HydrophobicContact CD2-CG 4.32Å; L42-F47 HydrophobicContact CG-CB 4.42Å; P43-F47 PolarHBondContact O-N 2.91Å; L44-F47 HydrophobicContact CD1-CD1 4.34Å; L44-F47 WeakPolarHBondContact O-CB 3.37Å; L44-F47 PolarHBondContact O-N 3.31Å; L44-F47 VanDerWaalsContact O-N 3.13Å; F47-R51 HydrophobicContact CD2-CB 4.47Å; F47-R51 VanDerWaalsContact O-CB 3.32Å; F47-R51 WeakPolarHBondContact O-CB 3.46Å; F47-R51 PolarHBondContact O-N 2.89Å; F47-L52 HydrophobicContact CD1-CD1 3.92Å; F47-L52 HydrophobicContact CD1-CG 4.49Å; F47-L52 HydrophobicContact CE1-CD1 3.34Å; F47-L52 HydrophobicContact CE1-CG 4.09Å; F47-L52 HydrophobicContact CZ-CD1 3.73Å; F47-L52 HydrophobicContact CZ-CD2 4.49Å; F47-L52 HydrophobicContact CZ-CG 4.1Å; F47-L52 PolarHBondContact O-N 3.37Å; F47-I90 HydrophobicContact CD1-CD1 3.85Å; F47-I90 HydrophobicContact CD1-CG2 4.37Å; F47-I90 HydrophobicContact CD2-CD1 4.32Å; F47-I90 HydrophobicContact CE1-CB 4.29Å; F47-I90 HydrophobicContact CE1-CD1 3.81Å; F47-I90 HydrophobicContact CE1-CG2 3.85Å; F47-I90 HydrophobicContact CE2-CD1 4.29Å; F47-I90 HydrophobicContact CG-CD1 4.11Å; F47-I90 HydrophobicContact CZ-CD1 4.04Å; F47-F99 HydrophobicContact CE1-CD2 4.24Å; F47-F99 HydrophobicContact CZ-CB 3.96Å; F47-F99 HydrophobicContact CZ-CD1 4.33Å; F47-F99 AromaticContact CZ-CD2 3.92Å; F47-F99 HydrophobicContact CZ-CD2 3.92Å; F47-F99 HydrophobicContact CZ-CE2 4.47Å; F47-F99 AromaticContact CZ-CG 3.82Å; F47-F99 HydrophobicContact CZ-CG 3.82Å; F47-L101 HydrophobicContact CD2-CD2 4.03Å; F47-L101 HydrophobicContact CE2-CD2 3.89Å; F47-V111 HydrophobicContact CE2-CG1 4.42Å; F47-V111 HydrophobicContact CE2-CG2 4.11Å
48L96.5Very high96.3Very high1 Ų143.3 Ų43.31%0.00520%0.204CC..Iπ-helixtrans-68.1-48.2-178.5-63.7-177000113.2L44 L52 K53 Y54 V61 I64 I70L44-L48 HydrophobicContact CD1-CG 4.28Å; L44-L48 HydrophobicContact CG-CD1 4.41Å; L44-L48 HydrophobicContact CG-CG 4.45Å; L44-L48 PolarHBondContact O-N 3.05Å; L48-L52 HydrophobicContact CD2-CD1 4.28Å; L48-K53 PolarHBondContact O-N 3.23Å; L48-Y54 HydrophobicContact CD2-CD2 4.45Å; L48-Y54 PolarHBondContact O-N 2.99Å; L48-Y54 VanDerWaalsContact O-N 3.13Å; L48-V61 HydrophobicContact CB-CG2 4.05Å; L48-V61 HydrophobicContact CD1-CG1 3.9Å; L48-V61 HydrophobicContact CD1-CG2 4.47Å; L48-I64 HydrophobicContact CD1-CB 4.45Å; L48-I64 HydrophobicContact CD1-CG2 4.2Å; L48-I70 HydrophobicContact CD1-CD1 3.28Å; L48-I70 HydrophobicContact CD2-CD1 3.88Å; L48-I70 HydrophobicContact CG-CD1 4.04Å
49R96.6Very high96.3Very high50 Ų5046.3 Ų46.319%0.18922%0.221CC..Iπ-helixtrans-81-50.5-173.1-170.9-17265.1179.21.1112.6I45 K53 A55 L56 V61I45-R49 WeakPolarHBondContact O-CB 3.49Å; I45-R49 PolarHBondContact O-N 3.07Å; R49-K53 WeakPolarHBondContact O-CD 3.27Å; R49-A55 WeakPolarHBondContact CA-O 3.42Å; R49-A55 VanDerWaalsContact CG-O 3.3Å; R49-A55 WeakPolarHBondContact CG-O 3.39Å; R49-L56 WeakPolarHBondContact CD-O 3.4Å; R49-V61 HydrophobicContact CB-CG2 4.04Å
50N95.8Very high96.3Very high27 Ų2742.5 Ų42.514%0.14421%0.209CC..Iπ-helixtrans-88.4-34-170.5-70.565.4000112.7I46 K53I46-N50 HydrophobicContact CG2-CB 4.02Å; I46-N50 WeakPolarHBondContact O-CA 3.48Å; I46-N50 VanDerWaalsContact O-CB 3.3Å; I46-N50 WeakPolarHBondContact O-CB 3.21Å; I46-N50 PolarHBondContact O-N 3.22Å; N50-K53 VanDerWaalsContact O-CE 3.22Å; N50-K53 WeakPolarHBondContact O-CE 3.5Å; N50-K53 PolarHBondContact O-NZ 2.98Å
51R95.4Very high96.5Very high46 Ų4638.7 Ų38.717%0.17419%0.191CC..Iπ-helixtrans-93.8-55.9-177.3-62.5-74179.6-90.2-12.4112.8H17 W18 I46 F47 V111H17-R51 PolarHBondContact O-NH2 2.96Å; H17-R51 VanDerWaalsContact O-NH2 3.08Å; W18-R51 PolarHBondContact O-NH1 3.23Å; W18-R51 PolarHBondContact O-NH2 3.11Å; I46-R51 PolarHBondContact O-N 3.12Å; F47-R51 HydrophobicContact CD2-CB 4.47Å; F47-R51 VanDerWaalsContact O-CB 3.32Å; F47-R51 WeakPolarHBondContact O-CB 3.46Å; F47-R51 PolarHBondContact O-N 2.89Å; R51-V111 HydrophobicContact CB-CG2 3.65Å; R51-V111 HydrophobicContact CG-CG2 4.31Å
52L95.8Very high96.5Very high26 Ų2643.8 Ų43.814%0.13621%0.213CC..Iπ-helixtrans-83.3-20.4-177.3-69.7-179.1000114.6F47 L48 Y54 I92 F99 V111F47-L52 HydrophobicContact CD1-CD1 3.92Å; F47-L52 HydrophobicContact CD1-CG 4.49Å; F47-L52 HydrophobicContact CE1-CD1 3.34Å; F47-L52 HydrophobicContact CE1-CG 4.09Å; F47-L52 HydrophobicContact CZ-CD1 3.73Å; F47-L52 HydrophobicContact CZ-CD2 4.49Å; F47-L52 HydrophobicContact CZ-CG 4.1Å; F47-L52 PolarHBondContact O-N 3.37Å; L48-L52 HydrophobicContact CD2-CD1 4.28Å; L52-Y54 HydrophobicContact CB-CD1 4.39Å; L52-Y54 HydrophobicContact CB-CD2 4.01Å; L52-Y54 HydrophobicContact CB-CE2 4.21Å; L52-Y54 HydrophobicContact CB-CG 4.11Å; L52-Y54 HydrophobicContact CD1-CD2 3.95Å; L52-Y54 HydrophobicContact CD1-CE2 3.72Å; L52-Y54 HydrophobicContact CG-CE2 4.48Å; L52-Y54 PolarHBondContact O-N 2.81Å; L52-I92 HydrophobicContact CD1-CD1 4.19Å; L52-F99 HydrophobicContact CD1-CE2 3.98Å; L52-F99 HydrophobicContact CD1-CZ 3.98Å; L52-F99 HydrophobicContact CD2-CE1 3.77Å; L52-F99 HydrophobicContact CD2-CE2 4.43Å; L52-F99 HydrophobicContact CD2-CZ 3.64Å; L52-F99 HydrophobicContact CG-CZ 4.5Å; L52-V111 HydrophobicContact CD2-CG1 3.54Å; L52-V111 HydrophobicContact CD2-CG2 4.47Å
53K95.8Very high96.6Very high146 Ų14650.8 Ų50.864%0.63524%0.244SC*.  trans61.823.5-178.4-48.9-58.9-171.9-176.90114.1L48 R49 N50 A55L48-K53 PolarHBondContact O-N 3.23Å; R49-K53 WeakPolarHBondContact O-CD 3.27Å; N50-K53 VanDerWaalsContact O-CE 3.22Å; N50-K53 WeakPolarHBondContact O-CE 3.5Å; N50-K53 PolarHBondContact O-NZ 2.98Å; K53-A55 VanDerWaalsContact C-N 3.27Å; K53-A55 PolarHBondContact O-N 3.48Å
54Y95.6Very high96.5Very high92 Ų9252.6 Ų52.636%0.36125%0.253SS..SBendtrans-75.6-15.7175.1-68.1-19.2000113.9L48 L52 I92 E97L48-Y54 HydrophobicContact CD2-CD2 4.45Å; L48-Y54 PolarHBondContact O-N 2.99Å; L48-Y54 VanDerWaalsContact O-N 3.13Å; L52-Y54 HydrophobicContact CB-CD1 4.39Å; L52-Y54 HydrophobicContact CB-CD2 4.01Å; L52-Y54 HydrophobicContact CB-CE2 4.21Å; L52-Y54 HydrophobicContact CB-CG 4.11Å; L52-Y54 HydrophobicContact CD1-CD2 3.95Å; L52-Y54 HydrophobicContact CD1-CE2 3.72Å; L52-Y54 HydrophobicContact CG-CE2 4.48Å; L52-Y54 PolarHBondContact O-N 2.81Å; Y54-I92 HydrophobicContact CD2-CD1 4.23Å; Y54-I92 HydrophobicContact CE2-CD1 3.69Å; Y54-E97 PolarHBondContact OH-OE2 2.83Å
55A96.5Very high96.5Very high3 Ų352.6 Ų52.63%0.02525%0.253CS..  trans-134.1149.6174.900000109.3R49 K53 E60 V61 I64R49-A55 WeakPolarHBondContact CA-O 3.42Å; R49-A55 VanDerWaalsContact CG-O 3.3Å; R49-A55 WeakPolarHBondContact CG-O 3.39Å; K53-A55 VanDerWaalsContact C-N 3.27Å; K53-A55 PolarHBondContact O-N 3.48Å; A55-E60 WeakPolarHBondContact CA-OE2 3.34Å; A55-E60 HydrophobicContact CB-CB 3.76Å; A55-V61 HydrophobicContact CB-CG2 3.53Å; A55-I64 HydrophobicContact CB-CD1 4.21Å
56L96.6Very high96.4Very high145 Ų14557.2 Ų57.276%0.75928%0.275SS*.SBendtrans-96-39.4172.9-56.7178.9000110.7R49 E60R49-L56 WeakPolarHBondContact CD-O 3.4Å; L56-E60 PolarHBondContact N-OE2 2.96Å
57T96.3Very high96.4Very high63 Ų6362.5 Ų62.539%0.38730%0.3SS..SBendtrans-114.1167.2-176.164.80000113.2D59 E60 V61T57-D59 VanDerWaalsContact C-N 3.35Å; T57-E60 PolarHBondContact N-OE2 3.3Å; T57-E60 WeakPolarHBondContact OG1-CG 3.49Å; T57-E60 PolarHBondContact OG1-N 3.15Å; T57-E60 PolarHBondContact OG1-OE1 3.39Å; T57-V61 PolarHBondContact O-N 3.29Å
58G95.2Very high96.4Very high21 Ų2170.1 Ų70.122%0.21633%0.329CS..Hα-helixtrans-69.6-31.317600000113.3V61 K62G58-V61 WeakPolarHBondContact O-CB 3.42Å; G58-V61 PolarHBondContact O-N 3.02Å; G58-K62 PolarHBondContact O-N 3.08Å; G58-K62 VanDerWaalsContact O-N 3.14Å
59D97.1Very high96.3Very high114 Ų11472.8 Ų72.861%0.6134%0.34SS*.Hα-helixtrans-74.8-31.8178.9-66.4-47.1000112.4T57 K62 K63T57-D59 VanDerWaalsContact C-N 3.35Å; D59-K62 WeakPolarHBondContact O-CA 3.21Å; D59-K62 WeakPolarHBondContact O-CB 3.47Å; D59-K62 PolarHBondContact O-N 2.97Å; D59-K62 VanDerWaalsContact O-N 3.14Å; D59-K63 WeakPolarHBondContact O-CG 3.48Å; D59-K63 PolarHBondContact O-N 2.94Å
60E97.6Very high96.3Very high63 Ų6370.4 Ų70.429%0.29433%0.331SS..Hα-helixtrans-62.2-42.5169.8-76.7160.2-130.800111.9A55 L56 T57 K62 K63 I64A55-E60 WeakPolarHBondContact CA-OE2 3.34Å; A55-E60 HydrophobicContact CB-CB 3.76Å; L56-E60 PolarHBondContact N-OE2 2.96Å; T57-E60 PolarHBondContact N-OE2 3.3Å; T57-E60 WeakPolarHBondContact OG1-CG 3.49Å; T57-E60 PolarHBondContact OG1-N 3.15Å; T57-E60 PolarHBondContact OG1-OE1 3.39Å; E60-K62 PolarHBondContact O-N 3.38Å; E60-K63 WeakPolarHBondContact O-CB 3.49Å; E60-K63 PolarHBondContact O-N 3Å; E60-K63 VanDerWaalsContact O-N 3.12Å; E60-I64 WeakPolarHBondContact O-CG1 3.37Å; E60-I64 PolarHBondContact O-N 2.98Å
61V97.4Very high96.4Very high0 Ų072 Ų720%034%0.337CS..Hα-helixtrans-57-42.8171.6169.40000110.3I45 L48 R49 A55 T57 G58 K63 I64 C65 I80I45-V61 HydrophobicContact CB-CG1 3.92Å; I45-V61 HydrophobicContact CG1-CB 4.29Å; I45-V61 HydrophobicContact CG1-CG1 4.08Å; I45-V61 HydrophobicContact CG1-CG2 4.1Å; L48-V61 HydrophobicContact CB-CG2 4.05Å; L48-V61 HydrophobicContact CD1-CG1 3.9Å; L48-V61 HydrophobicContact CD1-CG2 4.47Å; R49-V61 HydrophobicContact CB-CG2 4.04Å; A55-V61 HydrophobicContact CB-CG2 3.53Å; T57-V61 PolarHBondContact O-N 3.29Å; G58-V61 WeakPolarHBondContact O-CB 3.42Å; G58-V61 PolarHBondContact O-N 3.02Å; V61-K63 PolarHBondContact O-N 3.22Å; V61-I64 PolarHBondContact O-N 2.85Å; V61-C65 PolarHBondContact O-N 2.75Å; V61-C65 PolarHBondContact O-SG 3.02Å; V61-C65 VanDerWaalsContact O-SG 3.35Å; V61-I80 HydrophobicContact CG1-CB 3.99Å; V61-I80 HydrophobicContact CG1-CG2 3.84Å
62K97.2Very high96.5Very high107 Ų10769.9 Ų69.947%0.46533%0.329SS..Hα-helixtrans-60.7-43.5176.3-170.9179.5179.2-177.10111.7G58 D59 E60 I64 C65 M66 I80G58-K62 PolarHBondContact O-N 3.08Å; G58-K62 VanDerWaalsContact O-N 3.14Å; D59-K62 WeakPolarHBondContact O-CA 3.21Å; D59-K62 WeakPolarHBondContact O-CB 3.47Å; D59-K62 PolarHBondContact O-N 2.97Å; D59-K62 VanDerWaalsContact O-N 3.14Å; E60-K62 PolarHBondContact O-N 3.38Å; K62-I64 VanDerWaalsContact C-N 3.35Å; K62-I64 PolarHBondContact O-N 3.09Å; K62-C65 PolarHBondContact O-N 3.38Å; K62-M66 HydrophobicContact CG-CE 4.33Å; K62-M66 HydrophobicContact CG-CG 4.2Å; K62-M66 WeakPolarHBondContact O-CB 3.5Å; K62-M66 WeakPolarHBondContact O-CG 3.37Å; K62-M66 PolarHBondContact O-N 3.41Å; K62-I80 HydrophobicContact CB-CG2 4.12Å; K62-I80 HydrophobicContact CG-CG2 4.49Å
63K97Very high96.5Very high148 Ų14869 Ų6964%0.64332%0.324SS*.Hα-helixtrans-58.4-45.4175.2-69175.1-177.6178.50111.6D59 E60 V61 M66 Q67D59-K63 WeakPolarHBondContact O-CG 3.48Å; D59-K63 PolarHBondContact O-N 2.94Å; E60-K63 WeakPolarHBondContact O-CB 3.49Å; E60-K63 PolarHBondContact O-N 3Å; E60-K63 VanDerWaalsContact O-N 3.12Å; V61-K63 PolarHBondContact O-N 3.22Å; K63-M66 PolarHBondContact O-N 3.3Å; K63-Q67 WeakPolarHBondContact O-CG 3.27Å; K63-Q67 PolarHBondContact O-N 3.34Å
64I96.2Very high96.5Very high38 Ų3864.4 Ų64.420%0.19532%0.319CS..Hα-helixtrans-62.4-49.2177.8-61.6166.6000111L48 A55 E60 V61 K62 M66 Q67 I70L48-I64 HydrophobicContact CD1-CB 4.45Å; L48-I64 HydrophobicContact CD1-CG2 4.2Å; A55-I64 HydrophobicContact CB-CD1 4.21Å; E60-I64 WeakPolarHBondContact O-CG1 3.37Å; E60-I64 PolarHBondContact O-N 2.98Å; V61-I64 PolarHBondContact O-N 2.85Å; K62-I64 VanDerWaalsContact C-N 3.35Å; K62-I64 PolarHBondContact O-N 3.09Å; I64-M66 VanDerWaalsContact C-N 3.34Å; I64-M66 PolarHBondContact O-N 3.42Å; I64-Q67 PolarHBondContact O-N 3.37Å; I64-I70 HydrophobicContact CG2-CD1 3.9Å; I64-I70 HydrophobicContact CG2-CG1 4.26Å
65C96.1Very high96.5Very high0 Ų065.9 Ų65.90%033%0.327CS..Hα-helixtrans-65.2-36.5-178.3-67.50000112.7L44 V61 K62 Q67 R68 T78 I80L44-C65 VanDerWaalsContact CD2-SG 3.59Å; V61-C65 PolarHBondContact O-N 2.75Å; V61-C65 PolarHBondContact O-SG 3.02Å; V61-C65 VanDerWaalsContact O-SG 3.35Å; K62-C65 PolarHBondContact O-N 3.38Å; C65-Q67 VanDerWaalsContact C-N 3.29Å; C65-Q67 PolarHBondContact O-N 2.96Å; C65-R68 PolarHBondContact O-N 2.82Å; C65-R68 VanDerWaalsContact O-N 3.09Å; C65-T78 WeakPolarHBondContact CB-O 3.5Å; C65-I80 HydrophobicContact CB-CG2 4.09Å
66M96.8Very high96.6Very high109 Ų10968.1 Ų68.154%0.53734%0.34SS..Hα-helixtrans-71.6-23.2180-69.3-64.8163.300113K62 K63 I64 R68K62-M66 HydrophobicContact CG-CE 4.33Å; K62-M66 HydrophobicContact CG-CG 4.2Å; K62-M66 WeakPolarHBondContact O-CB 3.5Å; K62-M66 WeakPolarHBondContact O-CG 3.37Å; K62-M66 PolarHBondContact O-N 3.41Å; K63-M66 PolarHBondContact O-N 3.3Å; I64-M66 VanDerWaalsContact C-N 3.34Å; I64-M66 PolarHBondContact O-N 3.42Å; M66-R68 PolarHBondContact O-N 3.31Å
67Q96.1Very high96.6Very high111 Ų11165.1 Ų65.152%0.51932%0.319SS..THydrogen-bonded Turntrans-73.3-0170.1-71.1173.2-22.700113.4K63 I64 C65 F69K63-Q67 WeakPolarHBondContact O-CG 3.27Å; K63-Q67 PolarHBondContact O-N 3.34Å; I64-Q67 PolarHBondContact O-N 3.37Å; C65-Q67 VanDerWaalsContact C-N 3.29Å; C65-Q67 PolarHBondContact O-N 2.96Å; Q67-F69 HydrophobicContact CB-CD1 4.35Å; Q67-F69 HydrophobicContact CB-CD2 3.72Å; Q67-F69 HydrophobicContact CB-CE1 4.2Å; Q67-F69 HydrophobicContact CB-CE2 3.57Å; Q67-F69 HydrophobicContact CB-CG 4.12Å; Q67-F69 HydrophobicContact CB-CZ 3.81Å; Q67-F69 HydrophobicContact CG-CE2 4.16Å; Q67-F69 HydrophobicContact CG-CZ 4.42Å; Q67-F69 WeakPolarHBondContact O-CD1 3.29Å; Q67-F69 PolarHBondContact O-N 3.08Å
68R96.3Very high96.6Very high163 Ų16365.1 Ų65.162%0.61532%0.319SS*.THydrogen-bonded Turntrans62.220.8176.2-58.7-176.472.3-175.61.2114.7C65 M66 I70 V76 T78C65-R68 PolarHBondContact O-N 2.82Å; C65-R68 VanDerWaalsContact O-N 3.09Å; M66-R68 PolarHBondContact O-N 3.31Å; R68-I70 VanDerWaalsContact C-N 3.32Å; R68-I70 PolarHBondContact O-N 2.76Å; R68-V76 HydrophobicContact CB-CG1 3.7Å; R68-V76 HydrophobicContact CG-CG1 4.03Å; R68-T78 HydrophobicContact CG-CG2 4.31Å
69F94.9Very high96.7Very high56 Ų5666.7 Ų66.725%0.24632%0.322CS..  trans-75.6-16.7-179.9-63.3-29.4000114.7Q67 D93 K94Q67-F69 HydrophobicContact CB-CD1 4.35Å; Q67-F69 HydrophobicContact CB-CD2 3.72Å; Q67-F69 HydrophobicContact CB-CE1 4.2Å; Q67-F69 HydrophobicContact CB-CE2 3.57Å; Q67-F69 HydrophobicContact CB-CG 4.12Å; Q67-F69 HydrophobicContact CB-CZ 3.81Å; Q67-F69 HydrophobicContact CG-CE2 4.16Å; Q67-F69 HydrophobicContact CG-CZ 4.42Å; Q67-F69 WeakPolarHBondContact O-CD1 3.29Å; Q67-F69 PolarHBondContact O-N 3.08Å; F69-D93 PolarHBondContact O-N 3.48Å; F69-K94 HydrophobicContact CD1-CB 4.48Å; F69-K94 HydrophobicContact CD2-CB 4.49Å; F69-K94 HydrophobicContact CD2-CD 3.99Å; F69-K94 HydrophobicContact CE1-CD 4.33Å; F69-K94 HydrophobicContact CE2-CD 3.55Å; F69-K94 HydrophobicContact CG-CB 4.35Å; F69-K94 HydrophobicContact CZ-CD 3.77Å
70I97Very high96.7Very high0 Ų063.3 Ų63.30%030%0.304CS..EExtended strand (participates in β ladder)trans-101.8121.2-175-55.9175.9000109.9L44 L48 I64 R68 I72 V76 R77 I90L44-I70 HydrophobicContact CD1-CD1 4.29Å; L44-I70 HydrophobicContact CD1-CG2 4.04Å; L44-I70 HydrophobicContact CD2-CD1 4Å; L44-I70 HydrophobicContact CD2-CG2 4.03Å; L44-I70 HydrophobicContact CG-CD1 4.34Å; L48-I70 HydrophobicContact CD1-CD1 3.28Å; L48-I70 HydrophobicContact CD2-CD1 3.88Å; L48-I70 HydrophobicContact CG-CD1 4.04Å; I64-I70 HydrophobicContact CG2-CD1 3.9Å; I64-I70 HydrophobicContact CG2-CG1 4.26Å; R68-I70 VanDerWaalsContact C-N 3.32Å; R68-I70 PolarHBondContact O-N 2.76Å; I70-I72 HydrophobicContact CG2-CG1 4.3Å; I70-V76 WeakPolarHBondContact O-CA 3.37Å; I70-R77 PolarHBondContact O-N 2.83Å; I70-I90 HydrophobicContact CG2-CG2 4.17Å
71K97.4Very high96.7Very high61 Ų6161.8 Ų61.827%0.26530%0.299SS..EExtended strand (participates in β ladder)trans-109.5134.9170.1-67.1172.5-178.81570109.4K75 V76 I90 S91 D93K71-K75 CarbonylContact C-O 3.56Å; K71-K75 WeakPolarHBondContact CA-O 3.4Å; K71-V76 HydrophobicContact CG-CG2 3.93Å; K71-I90 WeakPolarHBondContact O-CA 3.45Å; K71-S91 PolarHBondContact N-O 3.37Å; K71-S91 PolarHBondContact O-N 2.57Å; K71-D93 WeakPolarHBondContact CE-OD2 3.42Å; K71-D93 IonicContact NZ-OD1 2.71Å; K71-D93 PolarHBondContact NZ-OD1 3.34Å; K71-D93 IonicContact NZ-OD2 2.62Å; K71-D93 PolarHBondContact NZ-OD2 2.82Å
72I97.1Very high96.7Very high1 Ų162.8 Ų62.81%0.00530%0.303CS..EExtended strand (participates in β ladder)trans-119.1122.6170.9-55.8179.1000107.1L44 I70 G74 K75 R77 Y82 A84 D88 V89 I90L44-I72 HydrophobicContact CD1-CD1 4.31Å; L44-I72 HydrophobicContact CD2-CD1 4.38Å; I70-I72 HydrophobicContact CG2-CG1 4.3Å; I72-G74 VanDerWaalsContact C-N 3.28Å; I72-G74 PolarHBondContact O-N 2.81Å; I72-K75 PolarHBondContact N-O 3.34Å; I72-K75 PolarHBondContact O-N 2.91Å; I72-K75 VanDerWaalsContact O-N 3.08Å; I72-R77 HydrophobicContact CB-CG 3.88Å; I72-R77 HydrophobicContact CD1-CB 4.14Å; I72-R77 HydrophobicContact CD1-CG 4Å; I72-R77 HydrophobicContact CG1-CB 4.33Å; I72-R77 HydrophobicContact CG1-CG 4Å; I72-Y82 HydrophobicContact CB-CE1 4.36Å; I72-Y82 HydrophobicContact CD1-CD1 3.41Å; I72-Y82 VanDerWaalsContact CD1-CD1 3.41Å; I72-Y82 HydrophobicContact CD1-CE1 3.89Å; I72-Y82 HydrophobicContact CD1-CG 4.24Å; I72-Y82 HydrophobicContact CG2-CE1 3.95Å; I72-A84 HydrophobicContact CD1-CB 4.28Å; I72-D88 HydrophobicContact CG2-CB 4.33Å; I72-V89 CarbonylContact C-O 3.52Å; I72-V89 WeakPolarHBondContact CA-O 3.2Å; I72-I90 HydrophobicContact CG1-CG1 4.35Å
73D96.9Very high96.7Very high7 Ų757.7 Ų57.74%0.03728%0.281CS..THydrogen-bonded Turntrans49.448.5-172.9-68-11000112.1K75 D88 V89 K122 R145 L164D73-K75 PolarHBondContact O-N 2.68Å; D73-K75 VanDerWaalsContact O-N 3.13Å; D73-D88 WeakPolarHBondContact OD1-CA 3.36Å; D73-V89 PolarHBondContact N-O 2.62Å; D73-V89 PolarHBondContact OD1-N 2.88Å; D73-K122 IonicContact OD1-NZ 2.86Å; D73-K122 WeakPolarHBondContact OD2-CD 3.35Å; D73-K122 IonicContact OD2-NZ 2.81Å; D73-K122 PolarHBondContact OD2-NZ 2.85Å; D73-R145 IonicContact OD2-CZ 3.89Å; D73-R145 IonicContact OD2-NH2 3.57Å; D73-R145 PolarHBondContact OD2-NH2 2.96Å; D73-L164 HydrophobicContact CB-CD2 3.75Å
74G94.8Very high96.8Very high50 Ų5050.7 Ų50.752%0.51525%0.251SS..THydrogen-bonded Turntrans75.1-9.4-179.600000115.8I72I72-G74 VanDerWaalsContact C-N 3.28Å; I72-G74 PolarHBondContact O-N 2.81Å
75K96.4Very high96.8Very high124 Ų12448.9 Ų48.954%0.53924%0.241SC..EExtended strand (participates in β ladder)trans-104.1132-178.2-63.9-175.8-179.5-176.10111.5K71 I72 D73 R77K71-K75 CarbonylContact C-O 3.56Å; K71-K75 WeakPolarHBondContact CA-O 3.4Å; I72-K75 PolarHBondContact N-O 3.34Å; I72-K75 PolarHBondContact O-N 2.91Å; I72-K75 VanDerWaalsContact O-N 3.08Å; D73-K75 PolarHBondContact O-N 2.68Å; D73-K75 VanDerWaalsContact O-N 3.13Å; K75-R77 PolarHBondContact O-N 3.27Å
76V97.3Very high96.8Very high49 Ų4949.2 Ų49.230%0.29724%0.243SC..EExtended strand (participates in β ladder)trans-60.7128.2174.9178.20000110.1R68 I70 K71R68-V76 HydrophobicContact CB-CG1 3.7Å; R68-V76 HydrophobicContact CG-CG1 4.03Å; I70-V76 WeakPolarHBondContact O-CA 3.37Å; K71-V76 HydrophobicContact CG-CG2 3.93Å
77R96.7Very high96.8Very high82 Ų8244 Ų4431%0.30922%0.217SC..  trans-120.5117.9175.8-62.5-57.7-176.5175.81.8110.2I70 I72 K75 Y82I70-R77 PolarHBondContact O-N 2.83Å; I72-R77 HydrophobicContact CB-CG 3.88Å; I72-R77 HydrophobicContact CD1-CB 4.14Å; I72-R77 HydrophobicContact CD1-CG 4Å; I72-R77 HydrophobicContact CG1-CB 4.33Å; I72-R77 HydrophobicContact CG1-CG 4Å; K75-R77 PolarHBondContact O-N 3.27Å; R77-Y82 HydrophobicContact CG-CD1 4.45Å; R77-Y82 HydrophobicContact CG-CD2 4.39Å; R77-Y82 HydrophobicContact CG-CE1 4.49Å; R77-Y82 HydrophobicContact CG-CE2 4.45Å; R77-Y82 HydrophobicContact CG-CG 4.37Å; R77-Y82 PolarHBondContact NH2-OH 3Å
78T96.4Very high96.9Very high64 Ų6438.8 Ų38.839%0.39319%0.193SC..  trans-93.7-15.5177.753.10000112.9C65 R68 I80C65-T78 WeakPolarHBondContact CB-O 3.5Å; R68-T78 HydrophobicContact CG-CG2 4.31Å; T78-I80 PolarHBondContact O-N 3.05Å
79D97.1Very high97Very high53 Ų5331.1 Ų31.128%0.28316%0.164SC..  trans-74.1114.4178.2177.313.8000111.2S32 T81 Y82S32-D79 VanDerWaalsContact CB-OD2 3.23Å; S32-D79 WeakPolarHBondContact CB-OD2 3.48Å; S32-D79 PolarHBondContact OG-OD2 2.91Å; D79-T81 PolarHBondContact O-N 3.24Å; D79-T81 WeakPolarHBondContact OD1-CA 3.33Å; D79-T81 PolarHBondContact OD1-N 2.92Å; D79-T81 PolarHBondContact OD1-OG1 3.15Å; D79-Y82 WeakPolarHBondContact O-CB 3.47Å; D79-Y82 PolarHBondContact O-N 2.86Å; D79-Y82 PolarHBondContact OD2-N 3.01Å
80I97.5Very high97.1Very high44 Ų4428.4 Ų28.423%0.22615%0.152CC..THydrogen-bonded Turntrans-64.5-21177.664.3172.9000113.2L44 I45 V61 K62 C65 T78L44-I80 PolarHBondContact N-O 2.82Å; I45-I80 WeakPolarHBondContact CB-O 3.42Å; I45-I80 WeakPolarHBondContact CG2-O 3.35Å; I45-I80 PolarHBondContact N-O 3Å; V61-I80 HydrophobicContact CG1-CB 3.99Å; V61-I80 HydrophobicContact CG1-CG2 3.84Å; K62-I80 HydrophobicContact CB-CG2 4.12Å; K62-I80 HydrophobicContact CG-CG2 4.49Å; C65-I80 HydrophobicContact CB-CG2 4.09Å; T78-I80 PolarHBondContact O-N 3.05Å
81T97.8Very high97.1Very high30 Ų3029.2 Ų29.218%0.18416%0.158CC..THydrogen-bonded Turntrans-104.714.4179.8380000113.2P29 R30 P31 S32 D79P29-T81 HydrophobicContact CB-CG2 4.26Å; R30-T81 WeakPolarHBondContact O-CB 3.47Å; R30-T81 WeakPolarHBondContact O-CG2 3.41Å; P31-T81 WeakPolarHBondContact CA-O 3.26Å; S32-T81 PolarHBondContact N-O 3.34Å; S32-T81 PolarHBondContact OG-OG1 2.77Å; D79-T81 PolarHBondContact O-N 3.24Å; D79-T81 WeakPolarHBondContact OD1-CA 3.33Å; D79-T81 PolarHBondContact OD1-N 2.92Å; D79-T81 PolarHBondContact OD1-OG1 3.15Å
82Y98Very high97.1Very high21 Ų2126.9 Ų26.98%0.08215%0.148CC..  trans-56.6129.7176.9-173.1-95.4000111.3P35 P43 L44 I72 R77 D79 A84P35-Y82 WeakPolarHBondContact CG-OH 3.13Å; P43-Y82 WeakPolarHBondContact CA-O 3.43Å; L44-Y82 PolarHBondContact N-O 2.99Å; I72-Y82 HydrophobicContact CB-CE1 4.36Å; I72-Y82 HydrophobicContact CD1-CD1 3.41Å; I72-Y82 VanDerWaalsContact CD1-CD1 3.41Å; I72-Y82 HydrophobicContact CD1-CE1 3.89Å; I72-Y82 HydrophobicContact CD1-CG 4.24Å; I72-Y82 HydrophobicContact CG2-CE1 3.95Å; R77-Y82 HydrophobicContact CG-CD1 4.45Å; R77-Y82 HydrophobicContact CG-CD2 4.39Å; R77-Y82 HydrophobicContact CG-CE1 4.49Å; R77-Y82 HydrophobicContact CG-CE2 4.45Å; R77-Y82 HydrophobicContact CG-CG 4.37Å; R77-Y82 PolarHBondContact NH2-OH 3Å; D79-Y82 WeakPolarHBondContact O-CB 3.47Å; D79-Y82 PolarHBondContact O-N 2.86Å; D79-Y82 PolarHBondContact OD2-N 3.01Å; Y82-A84 PolarHBondContact O-N 2.78Å
83P97.7Very high96.8Very high1 Ų130.7 Ų30.71%0.00617%0.168CC..EExtended strand (participates in β ladder)trans-82.476.4-175.935.2-38.1000111.4P31 S32 C41P31-P83 HydrophobicContact CB-CB 4.03Å; S32-P83 WeakPolarHBondContact O-CG 3.38Å; C41-P83 HydrophobicContact CB-CB 3.76Å; C41-P83 VanDerWaalsContact SG-CB 3.58Å
84A97.4Very high96.6Very high1 Ų137.7 Ų37.71%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-65.9135.9171.100000109.6C41 L42 I72 Y82 D88 I90 L101C41-A84 CarbonylContact C-O 3.54Å; C41-A84 WeakPolarHBondContact CA-O 3.16Å; C41-A84 WeakPolarHBondContact CB-O 3.44Å; L42-A84 PolarHBondContact N-O 2.81Å; L42-A84 PolarHBondContact O-N 3.07Å; I72-A84 HydrophobicContact CD1-CB 4.28Å; Y82-A84 PolarHBondContact O-N 2.78Å; A84-D88 WeakPolarHBondContact CA-OD2 3.43Å; A84-I90 HydrophobicContact CB-CD1 4.14Å; A84-L101 HydrophobicContact CB-CD1 3.54Å
85G96.7Very high96.6Very high0 Ų038.7 Ų38.70%020%0.195CC..EExtended strand (participates in β ladder)trans-134.7-163.3-173.600000113.8H36 M87 D88 L101H36-G85 WeakPolarHBondContact CD2-CA 3.22Å; H36-G85 PolarHBondContact CD2-N 2.72Å; H36-G85 VanDerWaalsContact CD2-N 3.28Å; G85-M87 PolarHBondContact O-N 2.92Å; G85-D88 PolarHBondContact N-OD2 2.76Å; G85-D88 WeakPolarHBondContact O-CB 3.38Å; G85-D88 PolarHBondContact O-N 3.28Å; G85-L101 WeakPolarHBondContact O-CB 3.45Å; G85-L101 WeakPolarHBondContact O-CD1 3.45Å
86F96.8Very high96.5Very high7 Ų735.3 Ų35.33%0.03120%0.195CC..THydrogen-bonded Turntrans-58.3135.3-176.2-175.5-111.7000111.8H36 D88 I102 Y103 H142 M182 T184 F226H36-F86 PolarHBondContact CE1-O 2.81Å; F86-D88 PolarHBondContact O-N 3.1Å; F86-I102 HydrophobicContact CE2-CG2 4.3Å; F86-Y103 HydrophobicContact CB-CE2 3.99Å; F86-Y103 AromaticContact CD2-CD2 3.42Å; F86-Y103 HydrophobicContact CD2-CD2 3.42Å; F86-Y103 VanDerWaalsContact CD2-CD2 3.42Å; F86-Y103 AromaticContact CD2-CE2 3.4Å; F86-Y103 HydrophobicContact CD2-CE2 3.4Å; F86-Y103 HydrophobicContact CD2-CG 4.39Å; F86-Y103 AromaticContact CE2-CD2 3.68Å; F86-Y103 HydrophobicContact CE2-CD2 3.68Å; F86-Y103 HydrophobicContact CE2-CE2 4.08Å; F86-Y103 HydrophobicContact CG-CD2 4.28Å; F86-Y103 AromaticContact CG-CE2 3.83Å; F86-Y103 HydrophobicContact CG-CE2 3.83Å; F86-H142 PolarHBondContact O-NE2 3.06Å; F86-M182 HydrophobicContact CE2-SD 3.45Å; F86-M182 WeakPolarHBondContact CE2-SD 3.24Å; F86-M182 HydrophobicContact CZ-CB 4.46Å; F86-M182 HydrophobicContact CZ-CG 4.26Å; F86-M182 HydrophobicContact CZ-SD 3.58Å; F86-M182 VanDerWaalsContact CZ-SD 3.58Å; F86-T184 HydrophobicContact CD1-CG2 3.68Å; F86-T184 HydrophobicContact CE1-CG2 3.51Å; F86-T184 HydrophobicContact CE2-CG2 4.42Å; F86-T184 HydrophobicContact CG-CG2 4.22Å; F86-T184 HydrophobicContact CZ-CG2 3.92Å; F86-F226 AromaticContact CD1-CD2 3.94Å; F86-F226 HydrophobicContact CD1-CD2 3.94Å; F86-F226 HydrophobicContact CD1-CE2 4.07Å; F86-F226 HydrophobicContact CD1-CG 4.41Å; F86-F226 HydrophobicContact CE1-CB 4.05Å; F86-F226 AromaticContact CE1-CD1 3.96Å; F86-F226 HydrophobicContact CE1-CD1 3.96Å; F86-F226 AromaticContact CE1-CD2 3.58Å; F86-F226 HydrophobicContact CE1-CD2 3.58Å; F86-F226 HydrophobicContact CE1-CE1 4.28Å; F86-F226 AromaticContact CE1-CE2 3.9Å; F86-F226 HydrophobicContact CE1-CE2 3.9Å; F86-F226 AromaticContact CE1-CG 3.61Å; F86-F226 HydrophobicContact CE1-CG 3.61Å; F86-F226 HydrophobicContact CE1-CZ 4.25Å
87M97.2Very high96.4Very high0 Ų035.4 Ų35.40%019%0.192CC..THydrogen-bonded Turntrans63.73-176.3-59.3-60.9-126.300116.7G85 L101 I102 K122 L123 F226 I228 I236G85-M87 PolarHBondContact O-N 2.92Å; M87-L101 PolarHBondContact N-O 2.71Å; M87-I102 HydrophobicContact SD-CG1 4.5Å; M87-K122 WeakPolarHBondContact O-CB 3.47Å; M87-K122 WeakPolarHBondContact O-CE 3.47Å; M87-L123 WeakPolarHBondContact CB-O 3.31Å; M87-L123 HydrophobicContact CE-CB 3.69Å; M87-L123 HydrophobicContact CE-CD1 3.69Å; M87-L123 HydrophobicContact CE-CG 3.93Å; M87-F226 HydrophobicContact CE-CD1 4.43Å; M87-F226 HydrophobicContact CE-CE1 3.83Å; M87-F226 HydrophobicContact CE-CZ 4.39Å; M87-F226 HydrophobicContact CG-CE1 4.3Å; M87-F226 HydrophobicContact CG-CE2 4.46Å; M87-F226 HydrophobicContact CG-CZ 3.98Å; M87-I228 HydrophobicContact CE-CG2 3.86Å; M87-I236 HydrophobicContact CE-CD1 3.51Å; M87-I236 HydrophobicContact CE-CG1 4.1Å; M87-I236 HydrophobicContact CE-CG2 3.96Å; M87-I236 HydrophobicContact SD-CD1 3.92Å
88D97.4Very high96.5Very high1 Ų132.6 Ų32.61%0.00518%0.183CC..  trans-65.8141.6171.7-69.4-1.3000110.3H36 I72 D73 A84 G85 F86 R100 L101 K122H36-D88 IonicContact CD2-OD1 3.78Å; H36-D88 IonicContact CD2-OD2 2.88Å; H36-D88 PolarHBondContact CD2-OD2 3.35Å; H36-D88 VanDerWaalsContact CD2-OD2 3.3Å; H36-D88 IonicContact CE1-OD1 2.76Å; H36-D88 VanDerWaalsContact NE2-CG 3.28Å; H36-D88 IonicContact NE2-OD1 3.99Å; H36-D88 PolarHBondContact NE2-OD1 3.34Å; H36-D88 IonicContact NE2-OD2 3.73Å; H36-D88 PolarHBondContact NE2-OD2 2.78Å; H36-D88 VanDerWaalsContact NE2-OD2 3.08Å; I72-D88 HydrophobicContact CG2-CB 4.33Å; D73-D88 WeakPolarHBondContact OD1-CA 3.36Å; A84-D88 WeakPolarHBondContact CA-OD2 3.43Å; G85-D88 PolarHBondContact N-OD2 2.76Å; G85-D88 WeakPolarHBondContact O-CB 3.38Å; G85-D88 PolarHBondContact O-N 3.28Å; F86-D88 PolarHBondContact O-N 3.1Å; D88-R100 WeakPolarHBondContact O-CA 3.48Å; D88-L101 PolarHBondContact O-N 3.29Å; D88-K122 IonicContact OD1-NZ 2.72Å; D88-K122 PolarHBondContact OD1-NZ 3.29Å
89V97.5Very high96.5Very high1 Ų129.5 Ų29.51%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-99.7121.2174.41780000108.5I72 D73 F99 I114 A119 K122 L164I72-V89 CarbonylContact C-O 3.52Å; I72-V89 WeakPolarHBondContact CA-O 3.2Å; D73-V89 PolarHBondContact N-O 2.62Å; D73-V89 PolarHBondContact OD1-N 2.88Å; V89-F99 CarbonylContact C-O 3.5Å; V89-F99 WeakPolarHBondContact CA-O 3.43Å; V89-I114 HydrophobicContact CG1-CD1 4.05Å; V89-I114 HydrophobicContact CG2-CD1 4.34Å; V89-A119 HydrophobicContact CG1-CB 3.96Å; V89-K122 HydrophobicContact CG2-CB 4.41Å; V89-L164 HydrophobicContact CB-CD1 4.01Å; V89-L164 HydrophobicContact CG2-CD1 4.02Å
90I97.4Very high96.5Very high0 Ų027 Ų270%015%0.151CC..EExtended strand (participates in β ladder)trans-107117.8175.3-54.8176.9000107.8F47 I70 K71 I72 A84 F99 L101F47-I90 HydrophobicContact CD1-CD1 3.85Å; F47-I90 HydrophobicContact CD1-CG2 4.37Å; F47-I90 HydrophobicContact CD2-CD1 4.32Å; F47-I90 HydrophobicContact CE1-CB 4.29Å; F47-I90 HydrophobicContact CE1-CD1 3.81Å; F47-I90 HydrophobicContact CE1-CG2 3.85Å; F47-I90 HydrophobicContact CE2-CD1 4.29Å; F47-I90 HydrophobicContact CG-CD1 4.11Å; F47-I90 HydrophobicContact CZ-CD1 4.04Å; I70-I90 HydrophobicContact CG2-CG2 4.17Å; K71-I90 WeakPolarHBondContact O-CA 3.45Å; I72-I90 HydrophobicContact CG1-CG1 4.35Å; A84-I90 HydrophobicContact CB-CD1 4.14Å; I90-F99 HydrophobicContact CB-CB 4.47Å; I90-F99 PolarHBondContact N-O 3.25Å; I90-F99 PolarHBondContact O-N 3.17Å; I90-L101 HydrophobicContact CD1-CD1 3.91Å; I90-L101 HydrophobicContact CD1-CD2 4.07Å; I90-L101 HydrophobicContact CD1-CG 3.89Å; I90-L101 HydrophobicContact CG1-CG 4.49Å
91S97.5Very high96.5Very high17 Ų1725 Ų2512%0.11914%0.141CC..EExtended strand (participates in β ladder)trans-115136.9179.7-63.30000110.2K71 N98K71-S91 PolarHBondContact N-O 3.37Å; K71-S91 PolarHBondContact O-N 2.57Å; S91-N98 WeakPolarHBondContact CB-OD1 3.17Å; S91-N98 PolarHBondContact OG-OD1 3.19Å
92I96.6Very high96.4Very high11 Ų1123.5 Ų23.56%0.05613%0.132CC..EExtended strand (participates in β ladder)trans-117.9102.4175.9-56.4177000107.7L52 Y54 K94 T95 G96 E97 F99L52-I92 HydrophobicContact CD1-CD1 4.19Å; Y54-I92 HydrophobicContact CD2-CD1 4.23Å; Y54-I92 HydrophobicContact CE2-CD1 3.69Å; I92-K94 VanDerWaalsContact C-N 3.28Å; I92-K94 PolarHBondContact O-N 2.79Å; I92-T95 HydrophobicContact CG2-CG2 4.3Å; I92-T95 WeakPolarHBondContact CG2-OG1 3.31Å; I92-T95 PolarHBondContact O-N 2.96Å; I92-T95 PolarHBondContact O-OG1 2.83Å; I92-G96 PolarHBondContact O-N 3.01Å; I92-E97 PolarHBondContact N-O 2.81Å; I92-F99 HydrophobicContact CD1-CE2 4Å
93D91.5Very high96.4Very high82 Ų8222.9 Ų22.944%0.43913%0.129SC..THydrogen-bonded Turntrans-60.1-39.7-172.5-64.5-32.7000112.1F69 K71 T95 G96F69-D93 PolarHBondContact O-N 3.48Å; K71-D93 WeakPolarHBondContact CE-OD2 3.42Å; K71-D93 IonicContact NZ-OD1 2.71Å; K71-D93 PolarHBondContact NZ-OD1 3.34Å; K71-D93 IonicContact NZ-OD2 2.62Å; K71-D93 PolarHBondContact NZ-OD2 2.82Å; D93-T95 VanDerWaalsContact C-N 3.34Å; D93-T95 PolarHBondContact O-N 2.7Å; D93-G96 PolarHBondContact O-N 3.39Å
94K93.7Very high96.2Very high153 Ų15324 Ų2467%0.66514%0.136SC*.THydrogen-bonded Turntrans-67.3-31.8-173.9-171.8168-175.91750113.6F69 I92F69-K94 HydrophobicContact CD1-CB 4.48Å; F69-K94 HydrophobicContact CD2-CB 4.49Å; F69-K94 HydrophobicContact CD2-CD 3.99Å; F69-K94 HydrophobicContact CE1-CD 4.33Å; F69-K94 HydrophobicContact CE2-CD 3.55Å; F69-K94 HydrophobicContact CG-CB 4.35Å; F69-K94 HydrophobicContact CZ-CD 3.77Å; I92-K94 VanDerWaalsContact C-N 3.28Å; I92-K94 PolarHBondContact O-N 2.79Å
95T94.5Very high96.1Very high72 Ų7225.2 Ų25.244%0.44214%0.142SC..THydrogen-bonded Turntrans-99.2-11.117858.20000112.4I92 D93 E97I92-T95 HydrophobicContact CG2-CG2 4.3Å; I92-T95 WeakPolarHBondContact CG2-OG1 3.31Å; I92-T95 PolarHBondContact O-N 2.96Å; I92-T95 PolarHBondContact O-OG1 2.83Å; D93-T95 VanDerWaalsContact C-N 3.34Å; D93-T95 PolarHBondContact O-N 2.7Å; T95-E97 PolarHBondContact O-N 2.93Å
96G94Very high96Very high53 Ų5330.7 Ų30.755%0.54617%0.166SC..THydrogen-bonded Turntrans69.18.3-173.700000114.1I92 D93I92-G96 PolarHBondContact O-N 3.01Å; D93-G96 PolarHBondContact O-N 3.39Å
97E95.4Very high95.8Very high50 Ų5030.8 Ų30.823%0.23417%0.17CC..EExtended strand (participates in β ladder)trans-87.1135.3-177.9-63.3-168.2-164.800111.5Y54 I92 T95 F99 R113Y54-E97 PolarHBondContact OH-OE2 2.83Å; I92-E97 PolarHBondContact N-O 2.81Å; T95-E97 PolarHBondContact O-N 2.93Å; E97-F99 HydrophobicContact CB-CE2 3.82Å; E97-F99 HydrophobicContact CB-CZ 3.93Å; E97-F99 WeakPolarHBondContact OE2-CZ 3.36Å; E97-R113 VanDerWaalsContact CD-NH2 3.29Å; E97-R113 IonicContact OE1-CZ 3.78Å; E97-R113 IonicContact OE1-NH2 2.68Å; E97-R113 PolarHBondContact OE1-NH2 3.43Å; E97-R113 IonicContact OE2-CZ 3.38Å; E97-R113 VanDerWaalsContact OE2-CZ 3.27Å; E97-R113 IonicContact OE2-NE 3.69Å; E97-R113 PolarHBondContact OE2-NE 2.8Å; E97-R113 IonicContact OE2-NH2 3.37Å; E97-R113 PolarHBondContact OE2-NH2 2.95Å
98N97.7Very high95.7Very high23 Ų2334.9 Ų34.912%0.12319%0.185CC..EExtended strand (participates in β ladder)trans-119139174.6-59.4-62.4000109.9S91 R113 I114 A119S91-N98 WeakPolarHBondContact CB-OD1 3.17Å; S91-N98 PolarHBondContact OG-OD1 3.19Å; N98-R113 WeakPolarHBondContact O-CA 3.44Å; N98-I114 HydrophobicContact CB-CD1 4.3Å; N98-I114 HydrophobicContact CB-CG1 3.69Å; N98-I114 PolarHBondContact O-N 2.91Å; N98-A119 HydrophobicContact CB-CB 3.81Å
99F97.6Very high95.6Very high0 Ų035 Ų350%019%0.186CC..EExtended strand (participates in β ladder)trans-129.3141.6-179.5-54.1-87.6000110.5F47 L52 V89 I90 I92 E97 V111 H112 R113F47-F99 HydrophobicContact CE1-CD2 4.24Å; F47-F99 HydrophobicContact CZ-CB 3.96Å; F47-F99 HydrophobicContact CZ-CD1 4.33Å; F47-F99 AromaticContact CZ-CD2 3.92Å; F47-F99 HydrophobicContact CZ-CD2 3.92Å; F47-F99 HydrophobicContact CZ-CE2 4.47Å; F47-F99 AromaticContact CZ-CG 3.82Å; F47-F99 HydrophobicContact CZ-CG 3.82Å; L52-F99 HydrophobicContact CD1-CE2 3.98Å; L52-F99 HydrophobicContact CD1-CZ 3.98Å; L52-F99 HydrophobicContact CD2-CE1 3.77Å; L52-F99 HydrophobicContact CD2-CE2 4.43Å; L52-F99 HydrophobicContact CD2-CZ 3.64Å; L52-F99 HydrophobicContact CG-CZ 4.5Å; V89-F99 CarbonylContact C-O 3.5Å; V89-F99 WeakPolarHBondContact CA-O 3.43Å; I90-F99 HydrophobicContact CB-CB 4.47Å; I90-F99 PolarHBondContact N-O 3.25Å; I90-F99 PolarHBondContact O-N 3.17Å; I92-F99 HydrophobicContact CD1-CE2 4Å; E97-F99 HydrophobicContact CB-CE2 3.82Å; E97-F99 HydrophobicContact CB-CZ 3.93Å; E97-F99 WeakPolarHBondContact OE2-CZ 3.36Å; F99-V111 HydrophobicContact CD1-CG1 3.45Å; F99-V111 VanDerWaalsContact CD1-CG1 3.45Å; F99-V111 HydrophobicContact CE1-CG1 3.45Å; F99-V111 VanDerWaalsContact CE1-CG1 3.45Å; F99-V111 HydrophobicContact CG-CG1 4.47Å; F99-V111 HydrophobicContact CZ-CG1 4.5Å; F99-H112 CarbonylContact C-O 3.57Å; F99-H112 VanDerWaalsContact CA-O 3.26Å; F99-H112 WeakPolarHBondContact CA-O 3.31Å; F99-R113 HydrophobicContact CD1-CG 3.68Å; F99-R113 HydrophobicContact CE1-CG 3.41Å; F99-R113 VanDerWaalsContact CE1-CG 3.41Å; F99-R113 HydrophobicContact CZ-CG 4.38Å
100R97.5Very high95.4Very high0 Ų036 Ų360%019%0.194CC..EExtended strand (participates in β ladder)trans-108131.6164.5-169.3172-77.7151.5-4.3110D88 I102 H112 I114 E118 Y121D88-R100 WeakPolarHBondContact O-CA 3.48Å; R100-I102 HydrophobicContact CB-CD1 4.25Å; R100-I102 HydrophobicContact CB-CG1 4.21Å; R100-I102 HydrophobicContact CG-CD1 4.12Å; R100-I102 HydrophobicContact CG-CG1 3.81Å; R100-I102 PolarHBondContact O-N 3.18Å; R100-H112 PolarHBondContact N-O 3.21Å; R100-I114 HydrophobicContact CB-CD1 4.24Å; R100-I114 HydrophobicContact CB-CG2 3.93Å; R100-E118 IonicContact CZ-OE1 2.9Å; R100-E118 IonicContact NH1-OE1 2.85Å; R100-E118 PolarHBondContact NH1-OE1 2.9Å; R100-E118 PolarHBondContact NH2-O 2.92Å; R100-E118 IonicContact NH2-OE1 3.54Å; R100-Y121 PolarHBondContact NH2-O 2.93Å
101L96.6Very high95Very high1 Ų138.7 Ų38.71%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-77.2105.6173.2-70.6-172.1000110.3L42 F47 A84 G85 M87 D88 I90 F109L42-L101 HydrophobicContact CD2-CD2 4.33Å; F47-L101 HydrophobicContact CD2-CD2 4.03Å; F47-L101 HydrophobicContact CE2-CD2 3.89Å; A84-L101 HydrophobicContact CB-CD1 3.54Å; G85-L101 WeakPolarHBondContact O-CB 3.45Å; G85-L101 WeakPolarHBondContact O-CD1 3.45Å; M87-L101 PolarHBondContact N-O 2.71Å; D88-L101 PolarHBondContact O-N 3.29Å; I90-L101 HydrophobicContact CD1-CD1 3.91Å; I90-L101 HydrophobicContact CD1-CD2 4.07Å; I90-L101 HydrophobicContact CD1-CG 3.89Å; I90-L101 HydrophobicContact CG1-CG 4.49Å; L101-F109 HydrophobicContact CB-CD1 4.1Å; L101-F109 HydrophobicContact CB-CE1 4.34Å
102I96.4Very high94.9Very high0 Ų039.3 Ų39.30%021%0.211CC..EExtended strand (participates in β ladder)trans-126.3150.8177.8-54.8174.5000108.4F86 M87 R100 A110 M182 I236 S237 P239F86-I102 HydrophobicContact CE2-CG2 4.3Å; M87-I102 HydrophobicContact SD-CG1 4.5Å; R100-I102 HydrophobicContact CB-CD1 4.25Å; R100-I102 HydrophobicContact CB-CG1 4.21Å; R100-I102 HydrophobicContact CG-CD1 4.12Å; R100-I102 HydrophobicContact CG-CG1 3.81Å; R100-I102 PolarHBondContact O-N 3.18Å; I102-A110 WeakPolarHBondContact O-CB 3.42Å; I102-A110 PolarHBondContact O-N 3.08Å; I102-M182 HydrophobicContact CG2-CE 3.5Å; I102-M182 HydrophobicContact CG2-SD 3.68Å; I102-I236 HydrophobicContact CD1-CD1 3.78Å; I102-S237 WeakPolarHBondContact CD1-O 3.34Å; I102-P239 HydrophobicContact CG2-CG 3.97Å
103Y96.8Very high94.9Very high7 Ų746.2 Ų46.23%0.02724%0.236CC..EExtended strand (participates in β ladder)trans-75.7140.5173.5-64.5-65.4000111.8F86 R108 F109 T184 L189F86-Y103 HydrophobicContact CB-CE2 3.99Å; F86-Y103 AromaticContact CD2-CD2 3.42Å; F86-Y103 HydrophobicContact CD2-CD2 3.42Å; F86-Y103 VanDerWaalsContact CD2-CD2 3.42Å; F86-Y103 AromaticContact CD2-CE2 3.4Å; F86-Y103 HydrophobicContact CD2-CE2 3.4Å; F86-Y103 HydrophobicContact CD2-CG 4.39Å; F86-Y103 AromaticContact CE2-CD2 3.68Å; F86-Y103 HydrophobicContact CE2-CD2 3.68Å; F86-Y103 HydrophobicContact CE2-CE2 4.08Å; F86-Y103 HydrophobicContact CG-CD2 4.28Å; F86-Y103 AromaticContact CG-CE2 3.83Å; F86-Y103 HydrophobicContact CG-CE2 3.83Å; Y103-R108 CarbonylContact C-O 3.48Å; Y103-R108 WeakPolarHBondContact CA-O 3.18Å; Y103-F109 HydrophobicContact CD1-CD1 4.17Å; Y103-F109 HydrophobicContact CD1-CE1 4.16Å; Y103-F109 HydrophobicContact CD1-CZ 4.49Å; Y103-F109 AromaticContact CE1-CD1 3.92Å; Y103-F109 HydrophobicContact CE1-CD1 3.92Å; Y103-F109 HydrophobicContact CE1-CD2 4.21Å; Y103-F109 AromaticContact CE1-CE1 3.52Å; Y103-F109 HydrophobicContact CE1-CE1 3.52Å; Y103-F109 AromaticContact CE1-CE2 3.84Å; Y103-F109 HydrophobicContact CE1-CE2 3.84Å; Y103-F109 HydrophobicContact CE1-CG 4.25Å; Y103-F109 AromaticContact CE1-CZ 3.48Å; Y103-F109 HydrophobicContact CE1-CZ 3.48Å; Y103-F109 VanDerWaalsContact CE1-CZ 3.48Å; Y103-F109 HydrophobicContact CE2-CE1 4.48Å; Y103-F109 AromaticContact CZ-CE1 3.71Å; Y103-F109 AromaticContact CZ-CZ 3.62Å; Y103-F109 WeakPolarHBondContact OH-CZ 3.48Å; Y103-T184 HydrophobicContact CE2-CG2 4.46Å; Y103-L189 HydrophobicContact CD1-CD1 4.02Å; Y103-L189 HydrophobicContact CD1-CD2 4.29Å; Y103-L189 HydrophobicContact CD1-CG 4.26Å; Y103-L189 HydrophobicContact CD2-CD1 3.64Å; Y103-L189 HydrophobicContact CE1-CD1 4.15Å; Y103-L189 HydrophobicContact CE1-CD2 4.38Å; Y103-L189 HydrophobicContact CE2-CD1 3.77Å; Y103-L189 HydrophobicContact CG-CD1 3.78Å; Y103-L189 HydrophobicContact CG-CG 4.22Å
104D94.5Very high95.2Very high26 Ų2643.1 Ų43.114%0.13922%0.219CC..  trans-81.1168.7161.274.35.1000111.2K106 G107 R108 A110 G190D104-K106 PolarHBondContact O-N 3.44Å; D104-K106 VanDerWaalsContact OD1-C 3.28Å; D104-K106 WeakPolarHBondContact OD1-CA 3.18Å; D104-K106 PolarHBondContact OD1-N 3.47Å; D104-G107 PolarHBondContact O-N 3.17Å; D104-G107 PolarHBondContact OD1-N 3.3Å; D104-R108 PolarHBondContact N-O 3.47Å; D104-R108 WeakPolarHBondContact OD1-CA 3.39Å; D104-R108 WeakPolarHBondContact OD1-CB 3.37Å; D104-R108 PolarHBondContact OD1-N 3.32Å; D104-R108 IonicContact OD1-NE 2.97Å; D104-R108 IonicContact OD2-CZ 3.81Å; D104-R108 IonicContact OD2-NE 2.75Å; D104-R108 PolarHBondContact OD2-NE 3.28Å; D104-R108 IonicContact OD2-NH2 3.22Å; D104-R108 PolarHBondContact OD2-NH2 2.81Å; D104-A110 HydrophobicContact CB-CB 4.29Å; D104-G190 WeakPolarHBondContact O-CA 3.48Å
105T93.9Very high95.4Very high25 Ų2539.4 Ų39.415%0.15321%0.21CC..THydrogen-bonded Turntrans-66.6-8179.252.90000114.1G243 I244 R245T105-G243 VanDerWaalsContact CG2-CA 3.48Å; T105-I244 WeakPolarHBondContact CG2-O 3.48Å; T105-R245 WeakPolarHBondContact O-CD 3.34Å
106K94.5Very high95.5Very high115 Ų11539.6 Ų39.650%0.521%0.212SC..THydrogen-bonded Turntrans-96.85.2174.6-58.1-161.9176.5-157.90112.2D104 R108 E251D104-K106 PolarHBondContact O-N 3.44Å; D104-K106 VanDerWaalsContact OD1-C 3.28Å; D104-K106 WeakPolarHBondContact OD1-CA 3.18Å; D104-K106 PolarHBondContact OD1-N 3.47Å; K106-R108 HydrophobicContact CB-CG 4.42Å; K106-E251 WeakPolarHBondContact CE-OE1 3.41Å; K106-E251 WeakPolarHBondContact CE-OE2 3.38Å; K106-E251 IonicContact NZ-OE1 2.93Å; K106-E251 PolarHBondContact NZ-OE1 3.43Å; K106-E251 IonicContact NZ-OE2 3.01Å; K106-E251 PolarHBondContact NZ-OE2 3.46Å
107G93.6Very high95.6Very high10 Ų1043 Ų4310%0.10321%0.214CC..SBendtrans76.729.3177.300000114.8H17 D104 L189H17-G107 VanDerWaalsContact CB-O 3.32Å; H17-G107 WeakPolarHBondContact CB-O 3.32Å; D104-G107 PolarHBondContact O-N 3.17Å; D104-G107 PolarHBondContact OD1-N 3.3Å; G107-L189 VanDerWaalsContact CA-CD2 3.44Å; G107-L189 WeakPolarHBondContact O-CD2 3.44Å
108R95.8Very high95.6Very high86 Ų8641.4 Ų41.433%0.32521%0.207SC..SBendtrans-117.4151.6-178-49.7170.5-56.9176.1-4.3109.3M19 Y103 D104 K106 A110M19-R108 HydrophobicContact CE-CB 3.76Å; M19-R108 VanDerWaalsContact CE-CD 3.49Å; M19-R108 HydrophobicContact CE-CG 4.02Å; Y103-R108 CarbonylContact C-O 3.48Å; Y103-R108 WeakPolarHBondContact CA-O 3.18Å; D104-R108 PolarHBondContact N-O 3.47Å; D104-R108 WeakPolarHBondContact OD1-CA 3.39Å; D104-R108 WeakPolarHBondContact OD1-CB 3.37Å; D104-R108 PolarHBondContact OD1-N 3.32Å; D104-R108 IonicContact OD1-NE 2.97Å; D104-R108 IonicContact OD2-CZ 3.81Å; D104-R108 IonicContact OD2-NE 2.75Å; D104-R108 PolarHBondContact OD2-NE 3.28Å; D104-R108 IonicContact OD2-NH2 3.22Å; D104-R108 PolarHBondContact OD2-NH2 2.81Å; K106-R108 HydrophobicContact CB-CG 4.42Å; R108-A110 PolarHBondContact O-N 3.1Å
109F95.6Very high95.6Very high4 Ų441 Ų412%0.01821%0.206CC..EExtended strand (participates in β ladder)trans-67.8117.9170.2-75.8-70.9000110H17 E40 L42 L101 Y103H17-F109 AromaticContact CD2-CD2 3.72Å; H17-F109 AromaticContact CD2-CE2 3.96Å; H17-F109 AromaticContact NE2-CD2 3.86Å; H17-F109 AromaticContact NE2-CE2 3.65Å; E40-F109 WeakPolarHBondContact O-CZ 3.47Å; L42-F109 HydrophobicContact CB-CD2 3.88Å; L42-F109 HydrophobicContact CB-CE2 4.22Å; L42-F109 HydrophobicContact CB-CG 4.38Å; L42-F109 HydrophobicContact CD2-CB 4.16Å; L101-F109 HydrophobicContact CB-CD1 4.1Å; L101-F109 HydrophobicContact CB-CE1 4.34Å; Y103-F109 HydrophobicContact CD1-CD1 4.17Å; Y103-F109 HydrophobicContact CD1-CE1 4.16Å; Y103-F109 HydrophobicContact CD1-CZ 4.49Å; Y103-F109 AromaticContact CE1-CD1 3.92Å; Y103-F109 HydrophobicContact CE1-CD1 3.92Å; Y103-F109 HydrophobicContact CE1-CD2 4.21Å; Y103-F109 AromaticContact CE1-CE1 3.52Å; Y103-F109 HydrophobicContact CE1-CE1 3.52Å; Y103-F109 AromaticContact CE1-CE2 3.84Å; Y103-F109 HydrophobicContact CE1-CE2 3.84Å; Y103-F109 HydrophobicContact CE1-CG 4.25Å; Y103-F109 AromaticContact CE1-CZ 3.48Å; Y103-F109 HydrophobicContact CE1-CZ 3.48Å; Y103-F109 VanDerWaalsContact CE1-CZ 3.48Å; Y103-F109 HydrophobicContact CE2-CE1 4.48Å; Y103-F109 AromaticContact CZ-CE1 3.71Å; Y103-F109 AromaticContact CZ-CZ 3.62Å; Y103-F109 WeakPolarHBondContact OH-CZ 3.48Å
110A92.3Very high95.6Very high21 Ų2146.8 Ų46.817%0.17423%0.231CC..EExtended strand (participates in β ladder)trans-81.2145172.300000110.2I102 D104 R108 H112 P239I102-A110 WeakPolarHBondContact O-CB 3.42Å; I102-A110 PolarHBondContact O-N 3.08Å; D104-A110 HydrophobicContact CB-CB 4.29Å; R108-A110 PolarHBondContact O-N 3.1Å; A110-H112 PolarHBondContact O-N 3.05Å; A110-P239 HydrophobicContact CB-CB 4.43Å
111V88.9Confident95.6Very high57 Ų5749.1 Ų49.135%0.34524%0.241SC..EExtended strand (participates in β ladder)trans-84.988.9166.7-178.10000107F47 R51 L52 F99F47-V111 HydrophobicContact CE2-CG1 4.42Å; F47-V111 HydrophobicContact CE2-CG2 4.11Å; R51-V111 HydrophobicContact CB-CG2 3.65Å; R51-V111 HydrophobicContact CG-CG2 4.31Å; L52-V111 HydrophobicContact CD2-CG1 3.54Å; L52-V111 HydrophobicContact CD2-CG2 4.47Å; F99-V111 HydrophobicContact CD1-CG1 3.45Å; F99-V111 VanDerWaalsContact CD1-CG1 3.45Å; F99-V111 HydrophobicContact CE1-CG1 3.45Å; F99-V111 VanDerWaalsContact CE1-CG1 3.45Å; F99-V111 HydrophobicContact CG-CG1 4.47Å; F99-V111 HydrophobicContact CZ-CG1 4.5Å
112H96.2Very high95.6Very high29 Ų2949.1 Ų49.113%0.13424%0.24CC..EExtended strand (participates in β ladder)trans-98.7108.1-178.9-17563.8000109.8F99 R100 A110 S237 L238F99-H112 CarbonylContact C-O 3.57Å; F99-H112 VanDerWaalsContact CA-O 3.26Å; F99-H112 WeakPolarHBondContact CA-O 3.31Å; R100-H112 PolarHBondContact N-O 3.21Å; A110-H112 PolarHBondContact O-N 3.05Å; H112-S237 WeakPolarHBondContact NE2-CB 3.43Å; H112-S237 PolarHBondContact NE2-O 3.47Å; H112-S237 PolarHBondContact NE2-OG 2.82Å; H112-L238 PolarHBondContact CE1-O 3.48Å
113R96.6Very high95.7Very high156 Ų15649.1 Ų49.159%0.58924%0.24SC*.EExtended strand (participates in β ladder)trans-72137175.6-75.4178.8171.3155.9-6.3109.9E97 N98 F99E97-R113 VanDerWaalsContact CD-NH2 3.29Å; E97-R113 IonicContact OE1-CZ 3.78Å; E97-R113 IonicContact OE1-NH2 2.68Å; E97-R113 PolarHBondContact OE1-NH2 3.43Å; E97-R113 IonicContact OE2-CZ 3.38Å; E97-R113 VanDerWaalsContact OE2-CZ 3.27Å; E97-R113 IonicContact OE2-NE 3.69Å; E97-R113 PolarHBondContact OE2-NE 2.8Å; E97-R113 IonicContact OE2-NH2 3.37Å; E97-R113 PolarHBondContact OE2-NH2 2.95Å; N98-R113 WeakPolarHBondContact O-CA 3.44Å; F99-R113 HydrophobicContact CD1-CG 3.68Å; F99-R113 HydrophobicContact CE1-CG 3.41Å; F99-R113 VanDerWaalsContact CE1-CG 3.41Å; F99-R113 HydrophobicContact CZ-CG 4.38Å
114I97.5Very high95.8Very high17 Ų1748.8 Ų48.89%0.08724%0.239CC..EExtended strand (participates in β ladder)trans-127.5161.7-179.662.6170.3000110.8V89 N98 R100 E118 A119V89-I114 HydrophobicContact CG1-CD1 4.05Å; V89-I114 HydrophobicContact CG2-CD1 4.34Å; N98-I114 HydrophobicContact CB-CD1 4.3Å; N98-I114 HydrophobicContact CB-CG1 3.69Å; N98-I114 PolarHBondContact O-N 2.91Å; R100-I114 HydrophobicContact CB-CD1 4.24Å; R100-I114 HydrophobicContact CB-CG2 3.93Å; I114-E118 HydrophobicContact CB-CB 4.3Å; I114-E118 HydrophobicContact CB-CG 4.23Å; I114-E118 HydrophobicContact CD1-CB 4.46Å; I114-E118 HydrophobicContact CD1-CG 4.2Å; I114-E118 HydrophobicContact CG2-CG 4.44Å; I114-A119 HydrophobicContact CD1-CB 3.87Å; I114-A119 HydrophobicContact CG1-CB 4.42Å
115T97.2Very high95.9Very high75 Ų7548.2 Ų48.246%0.4624%0.235SC..  trans-74.3157.9175.262.60000111.6E117 E118 A119T115-E117 VanDerWaalsContact CB-OE2 3.28Å; T115-E117 WeakPolarHBondContact CB-OE2 3.23Å; T115-E117 PolarHBondContact O-N 2.86Å; T115-E117 PolarHBondContact OG1-OE2 3.43Å; T115-E118 PolarHBondContact O-N 3.28Å; T115-E118 VanDerWaalsContact O-N 3.17Å; T115-E118 PolarHBondContact OG1-N 3.06Å; T115-A119 PolarHBondContact O-N 2.81Å
116P96.2Very high96.1Very high76 Ų7647 Ų4749%0.49423%0.228SC..THydrogen-bonded Turntrans-56.4-33.5174.8-25.535.5000113.7A119P116-A119 WeakPolarHBondContact O-CB 3.33Å; P116-A119 PolarHBondContact O-N 3.07Å
117E96.2Very high96.3Very high124 Ų12448.6 Ų48.658%0.57923%0.231SC*.THydrogen-bonded Turntrans-66.8-40.3177.5-62.371.2-152.400111.7T115 A119 K120T115-E117 VanDerWaalsContact CB-OE2 3.28Å; T115-E117 WeakPolarHBondContact CB-OE2 3.23Å; T115-E117 PolarHBondContact O-N 2.86Å; T115-E117 PolarHBondContact OG1-OE2 3.43Å; E117-A119 VanDerWaalsContact C-N 3.29Å; E117-K120 PolarHBondContact O-N 3.06Å
118E96.3Very high96.4Very high18 Ų1853.7 Ų53.78%0.08425%0.25CS..G310 helixtrans-73.8-26.1178.1180168.1-15800111.9R100 I114 T115 K120 Y121 I236 S237R100-E118 IonicContact CZ-OE1 2.9Å; R100-E118 IonicContact NH1-OE1 2.85Å; R100-E118 PolarHBondContact NH1-OE1 2.9Å; R100-E118 PolarHBondContact NH2-O 2.92Å; R100-E118 IonicContact NH2-OE1 3.54Å; I114-E118 HydrophobicContact CB-CB 4.3Å; I114-E118 HydrophobicContact CB-CG 4.23Å; I114-E118 HydrophobicContact CD1-CB 4.46Å; I114-E118 HydrophobicContact CD1-CG 4.2Å; I114-E118 HydrophobicContact CG2-CG 4.44Å; T115-E118 PolarHBondContact O-N 3.28Å; T115-E118 VanDerWaalsContact O-N 3.17Å; T115-E118 PolarHBondContact OG1-N 3.06Å; E118-K120 PolarHBondContact O-N 2.82Å; E118-Y121 HydrophobicContact CB-CE1 4.35Å; E118-Y121 HydrophobicContact CG-CE1 4.21Å; E118-Y121 PolarHBondContact O-N 2.86Å; E118-I236 WeakPolarHBondContact OE1-CA 3.38Å; E118-S237 VanDerWaalsContact CD-OG 3.22Å; E118-S237 PolarHBondContact OE1-N 3.21Å; E118-S237 PolarHBondContact OE1-OG 2.79Å; E118-S237 VanDerWaalsContact OE2-CB 3.23Å; E118-S237 WeakPolarHBondContact OE2-CB 3.49Å; E118-S237 PolarHBondContact OE2-OG 2.72Å
119A97.1Very high96.5Very high14 Ų1452.7 Ų52.712%0.11625%0.251CS..G310 helixtrans-69.2-13.2176.800000113.8V89 N98 I114 T115 P116 E117 Y121 L164V89-A119 HydrophobicContact CG1-CB 3.96Å; N98-A119 HydrophobicContact CB-CB 3.81Å; I114-A119 HydrophobicContact CD1-CB 3.87Å; I114-A119 HydrophobicContact CG1-CB 4.42Å; T115-A119 PolarHBondContact O-N 2.81Å; P116-A119 WeakPolarHBondContact O-CB 3.33Å; P116-A119 PolarHBondContact O-N 3.07Å; E117-A119 VanDerWaalsContact C-N 3.29Å; A119-Y121 VanDerWaalsContact C-N 3.3Å; A119-Y121 PolarHBondContact O-N 3.01Å; A119-L164 WeakPolarHBondContact O-CD1 3.5Å
120K97.3Very high96.6Very high121 Ų12156.4 Ų56.453%0.52627%0.267SS..G310 helixtrans-75.1-17.4177.8-64-177.5179.9-178.30113.6E117 E118 L164E117-K120 PolarHBondContact O-N 3.06Å; E118-K120 PolarHBondContact O-N 2.82Å; K120-L164 WeakPolarHBondContact O-CB 3.4Å; K120-L164 PolarHBondContact O-N 2.86Å
121Y97.6Very high96.8Very high50 Ų5060.4 Ų60.420%0.19629%0.289CS..EExtended strand (participates in β ladder)trans-133.6161-178.470.3-91.8000112.7R100 E118 A119 Q161 I162 W235 I236R100-Y121 PolarHBondContact NH2-O 2.93Å; E118-Y121 HydrophobicContact CB-CE1 4.35Å; E118-Y121 HydrophobicContact CG-CE1 4.21Å; E118-Y121 PolarHBondContact O-N 2.86Å; A119-Y121 VanDerWaalsContact C-N 3.3Å; A119-Y121 PolarHBondContact O-N 3.01Å; Y121-Q161 HydrophobicContact CD2-CG 3.79Å; Y121-Q161 HydrophobicContact CG-CG 4.14Å; Y121-I162 VanDerWaalsContact CA-O 3.24Å; Y121-I162 WeakPolarHBondContact CA-O 3.42Å; Y121-I162 WeakPolarHBondContact CB-O 3.39Å; Y121-W235 PolarHBondContact OH-O 3.36Å; Y121-I236 HydrophobicContact CE2-CG2 4.4Å
122K97.6Very high97.1Very high0 Ų058.7 Ų58.70%028%0.283CS..EExtended strand (participates in β ladder)trans-138.2159.3166.669.7-179.6-66.2-171.40110.9D73 M87 D88 V89 D143 I162 L164D73-K122 IonicContact OD1-NZ 2.86Å; D73-K122 WeakPolarHBondContact OD2-CD 3.35Å; D73-K122 IonicContact OD2-NZ 2.81Å; D73-K122 PolarHBondContact OD2-NZ 2.85Å; M87-K122 WeakPolarHBondContact O-CB 3.47Å; M87-K122 WeakPolarHBondContact O-CE 3.47Å; D88-K122 IonicContact OD1-NZ 2.72Å; D88-K122 PolarHBondContact OD1-NZ 3.29Å; V89-K122 HydrophobicContact CG2-CB 4.41Å; K122-D143 IonicContact NZ-OD2 3.87Å; K122-D143 PolarHBondContact NZ-OD2 2.83Å; K122-I162 PolarHBondContact N-O 2.79Å; K122-I162 PolarHBondContact O-N 3.49Å; K122-L164 HydrophobicContact CB-CD2 4.49Å; K122-L164 HydrophobicContact CD-CD2 3.66Å; K122-L164 HydrophobicContact CG-CD2 3.78Å; K122-L164 HydrophobicContact CG-CG 4.38Å
123L98Very high97.1Very high0 Ų063 Ų630%031%0.312CS..EExtended strand (participates in β ladder)trans-93.7140.1170.9-58.8-170.1000110.3M87 T159 I160 Q161 F226 I228 W235 I236M87-L123 WeakPolarHBondContact CB-O 3.31Å; M87-L123 HydrophobicContact CE-CB 3.69Å; M87-L123 HydrophobicContact CE-CD1 3.69Å; M87-L123 HydrophobicContact CE-CG 3.93Å; L123-T159 HydrophobicContact CB-CG2 3.66Å; L123-T159 HydrophobicContact CD1-CG2 4.15Å; L123-T159 HydrophobicContact CD2-CG2 4.43Å; L123-T159 HydrophobicContact CG-CG2 4.3Å; L123-I160 CarbonylContact C-O 3.52Å; L123-I160 WeakPolarHBondContact CA-O 3.26Å; L123-Q161 HydrophobicContact CD2-CB 3.87Å; L123-Q161 HydrophobicContact CD2-CG 4.09Å; L123-F226 HydrophobicContact CB-CE1 3.84Å; L123-F226 HydrophobicContact CB-CZ 3.98Å; L123-F226 HydrophobicContact CD1-CE1 4.47Å; L123-I228 HydrophobicContact CD1-CB 4.44Å; L123-W235 HydrophobicContact CD1-CB 4.18Å; L123-W235 HydrophobicContact CD2-CB 4.47Å; L123-W235 HydrophobicContact CD2-CE3 3.87Å; L123-I236 HydrophobicContact CD1-CG2 3.7Å; L123-I236 HydrophobicContact CG-CG2 3.83Å
124C98.1Very high97.2Very high0 Ų065.2 Ų65.20%033%0.325CS..EExtended strand (participates in β ladder)trans-133.4123.2176.5-75.90000111.2T141 D143 T159 I160 I162C124-T141 HydrophobicContact CB-CG2 3.66Å; C124-D143 PolarHBondContact SG-OD1 3.31Å; C124-T159 WeakPolarHBondContact O-CA 3.48Å; C124-I160 HydrophobicContact CB-CD1 4.45Å; C124-I160 HydrophobicContact CB-CG1 4Å; C124-I160 PolarHBondContact N-O 3.44Å; C124-I160 WeakPolarHBondContact O-CG1 3.49Å; C124-I160 PolarHBondContact O-N 2.85Å; C124-I162 HydrophobicContact CB-CD1 3.73Å
125K98.1Very high97.1Very high14 Ų1466.9 Ų66.96%0.06135%0.347CS..EExtended strand (participates in β ladder)trans-71.9133.6171179.4177.7-178.11800111T141 H142 N157 D158 L222 I225 F226K125-T141 CarbonylContact O-C 3.45Å; K125-T141 VanDerWaalsContact O-CA 3.27Å; K125-T141 WeakPolarHBondContact O-CA 3.21Å; K125-H142 HydrophobicContact CB-CB 4.41Å; K125-H142 PolarHBondContact N-ND1 2.85Å; K125-H142 PolarHBondContact O-N 3.2Å; K125-N157 WeakPolarHBondContact CE-OD1 3.41Å; K125-N157 PolarHBondContact NZ-OD1 3.41Å; K125-D158 WeakPolarHBondContact CA-O 3.35Å; K125-L222 PolarHBondContact NZ-O 3.36Å; K125-I225 WeakPolarHBondContact CD-O 3.5Å; K125-I225 WeakPolarHBondContact CE-O 3.25Å; K125-I225 PolarHBondContact NZ-O 2.94Å; K125-F226 HydrophobicContact CB-CD2 3.6Å; K125-F226 HydrophobicContact CB-CE2 3.49Å; K125-F226 VanDerWaalsContact CB-CE2 3.49Å; K125-F226 HydrophobicContact CB-CG 4.4Å; K125-F226 HydrophobicContact CB-CZ 4.18Å; K125-F226 HydrophobicContact CD-CD2 4.4Å
126V98.2Very high97Very high0 Ų064.4 Ų64.40%033%0.331CS..EExtended strand (participates in β ladder)trans-77.5123.2173.9-1790000109.8I129 L139 I154 N157 D158 I160V126-I129 HydrophobicContact CG1-CD1 4.28Å; V126-I129 HydrophobicContact CG1-CG1 3.88Å; V126-L139 HydrophobicContact CG1-CB 4.18Å; V126-L139 HydrophobicContact CG2-CD2 4.08Å; V126-I154 HydrophobicContact CG2-CG2 3.87Å; V126-N157 WeakPolarHBondContact O-CA 3.37Å; V126-N157 PolarHBondContact O-N 3.01Å; V126-D158 PolarHBondContact N-O 3.02Å; V126-I160 HydrophobicContact CG2-CG1 4.34Å; V126-I160 HydrophobicContact CG2-CG2 3.92Å
127R97.2Very high97.1Very high148 Ų14862.9 Ų62.956%0.55832%0.321SS*.EExtended strand (participates in β ladder)trans-98.5-35.6-179.6-73.1-166.367.5-168.6-0.4113.9V140 H142 V156R127-V140 PolarHBondContact N-O 3.18Å; R127-H142 HydrophobicContact CG-CB 4.22Å; R127-V156 WeakPolarHBondContact O-CG1 3.15Å
128K97Very high97.2Very high118 Ų11858.4 Ų58.451%0.51330%0.3SS..EExtended strand (participates in β ladder)trans-155.4154.7175.860.2174.2-175.9175.40110.3L139 V140K128-L139 WeakPolarHBondContact O-CA 3.36Å; K128-V140 HydrophobicContact CD-CG2 4.32Å; K128-V140 HydrophobicContact CG-CB 3.73Å; K128-V140 HydrophobicContact CG-CG2 3.87Å; K128-V140 PolarHBondContact N-O 3.19Å; K128-V140 PolarHBondContact O-N 2.94Å
129I97.5Very high97.2Very high65 Ų6557.5 Ų57.533%0.33330%0.296SS..EExtended strand (participates in β ladder)trans-124.7138.5172.9-59.2174.1000106.3V126 H138 L139 I154 V156V126-I129 HydrophobicContact CG1-CD1 4.28Å; V126-I129 HydrophobicContact CG1-CG1 3.88Å; I129-H138 CarbonylContact C-O 3.56Å; I129-H138 VanDerWaalsContact CA-O 3.3Å; I129-H138 WeakPolarHBondContact CA-O 3.48Å; I129-H138 WeakPolarHBondContact CG2-O 3.46Å; I129-L139 HydrophobicContact CG1-CB 4.17Å; I129-I154 WeakPolarHBondContact CD1-O 3.17Å; I129-V156 HydrophobicContact CD1-CG2 4.47Å; I129-V156 HydrophobicContact CG1-CG2 4.3Å
130F97Very high97.3Very high82 Ų8257.9 Ų57.936%0.3630%0.296SS..EExtended strand (participates in β ladder)trans-147158.4177.666.7-83.7000110.4H138 V140 T146F130-H138 HydrophobicContact CD1-CB 3.94Å; F130-H138 HydrophobicContact CD2-CB 4.15Å; F130-H138 HydrophobicContact CE1-CB 3.48Å; F130-H138 VanDerWaalsContact CE1-CB 3.48Å; F130-H138 HydrophobicContact CE2-CB 3.72Å; F130-H138 AromaticContact CE2-CD2 3.77Å; F130-H138 AromaticContact CE2-CG 3.79Å; F130-H138 HydrophobicContact CG-CB 4.26Å; F130-H138 HydrophobicContact CZ-CB 3.37Å; F130-H138 AromaticContact CZ-CG 3.7Å; F130-H138 PolarHBondContact N-O 3.17Å; F130-H138 PolarHBondContact O-N 3.34Å; F130-V140 HydrophobicContact CD1-CG2 4.26Å; F130-V140 HydrophobicContact CE1-CG2 3.64Å; F130-T146 HydrophobicContact CE1-CG2 4.49Å; F130-T146 HydrophobicContact CZ-CG2 4.31Å
131V97.3Very high97.3Very high104 Ų10452.1 Ų52.163%0.6327%0.272SS*.EExtended strand (participates in β ladder)trans-99.7122.1173.7-177.10000107.6G135V131-G135 VanDerWaalsContact CG1-C 3.45Å; V131-G135 VanDerWaalsContact CG1-CA 3.48Å
132G95.6Very high97.3Very high22 Ų2251.4 Ų51.423%0.22727%0.27CS..  trans-84.1-166.4178.100000112.2G135 I136G132-G135 PolarHBondContact O-N 3.21Å; G132-I136 PolarHBondContact N-O 2.93Å
133T96.7Very high97.2Very high120 Ų12051.6 Ų51.674%0.73627%0.271SS*.G310 helixtrans-60.1148.9173.453.90000110.6G135 I136T133-G135 PolarHBondContact O-N 3.46Å; T133-I136 PolarHBondContact O-N 3.49Å
134K97Very high97.1Very high201 Ų20154.7 Ų54.787%0.87430%0.296SS*.G310 helixtrans6122.4-177.1-51-178176.7-174.70114.8I136K134-I136 VanDerWaalsContact C-N 3.27Å; K134-I136 HydrophobicContact CB-CD1 4.43Å; K134-I136 HydrophobicContact CB-CG1 4.4Å; K134-I136 PolarHBondContact O-N 2.98Å
135G95.2Very high97Very high52 Ų5257.6 Ų57.654%0.53631%0.307SS..G310 helixtrans74.813.9177.100000114.4V131 G132 T133 P137V131-G135 VanDerWaalsContact CG1-C 3.45Å; V131-G135 VanDerWaalsContact CG1-CA 3.48Å; G132-G135 PolarHBondContact O-N 3.21Å; T133-G135 PolarHBondContact O-N 3.46Å; G135-P137 WeakPolarHBondContact O-CD 3.48Å
136I97.1Very high97Very high23 Ų2360.7 Ų60.712%0.11833%0.328CS..  trans-75.6122.2-175.5-61.4172.3000109.8G132 T133 K134 H138 R148 Y149G132-I136 PolarHBondContact N-O 2.93Å; T133-I136 PolarHBondContact O-N 3.49Å; K134-I136 VanDerWaalsContact C-N 3.27Å; K134-I136 HydrophobicContact CB-CD1 4.43Å; K134-I136 HydrophobicContact CB-CG1 4.4Å; K134-I136 PolarHBondContact O-N 2.98Å; I136-H138 PolarHBondContact O-CD2 3.48Å; I136-R148 HydrophobicContact CG2-CB 4.38Å; I136-R148 HydrophobicContact CG2-CG 4.38Å; I136-Y149 HydrophobicContact CB-CE1 4.37Å; I136-Y149 WeakPolarHBondContact CD1-OH 3.28Å; I136-Y149 HydrophobicContact CG1-CE1 4.13Å; I136-Y149 WeakPolarHBondContact CG1-OH 3.49Å; I136-Y149 HydrophobicContact CG2-CD1 4.21Å; I136-Y149 HydrophobicContact CG2-CD2 4.49Å; I136-Y149 HydrophobicContact CG2-CE1 3.77Å; I136-Y149 HydrophobicContact CG2-CE2 4.09Å
137P97.6Very high96.9Very high45 Ų4561.8 Ų61.829%0.29233%0.333SS..EExtended strand (participates in β ladder)trans-74.7138.3175.228.5-31.6000111.2G135 Y149 P150G135-P137 WeakPolarHBondContact O-CD 3.48Å; P137-Y149 PolarHBondContact O-N 3.23Å; P137-P150 HydrophobicContact CB-CG 4.45Å; P137-P150 VanDerWaalsContact O-CD 3.29Å; P137-P150 WeakPolarHBondContact O-CD 3.41Å
138H97.7Very high96.8Very high29 Ų2962 Ų6213%0.13433%0.334CS..EExtended strand (participates in β ladder)trans-128141.8176.2-66.4-100.7000110.1I129 F130 I136 T146 I147 R148I129-H138 CarbonylContact C-O 3.56Å; I129-H138 VanDerWaalsContact CA-O 3.3Å; I129-H138 WeakPolarHBondContact CA-O 3.48Å; I129-H138 WeakPolarHBondContact CG2-O 3.46Å; F130-H138 HydrophobicContact CD1-CB 3.94Å; F130-H138 HydrophobicContact CD2-CB 4.15Å; F130-H138 HydrophobicContact CE1-CB 3.48Å; F130-H138 VanDerWaalsContact CE1-CB 3.48Å; F130-H138 HydrophobicContact CE2-CB 3.72Å; F130-H138 AromaticContact CE2-CD2 3.77Å; F130-H138 AromaticContact CE2-CG 3.79Å; F130-H138 HydrophobicContact CG-CB 4.26Å; F130-H138 HydrophobicContact CZ-CB 3.37Å; F130-H138 AromaticContact CZ-CG 3.7Å; F130-H138 PolarHBondContact N-O 3.17Å; F130-H138 PolarHBondContact O-N 3.34Å; I136-H138 PolarHBondContact O-CD2 3.48Å; H138-T146 HydrophobicContact CB-CG2 4.13Å; H138-I147 WeakPolarHBondContact CA-O 3.33Å; H138-R148 WeakPolarHBondContact CE1-CG 3.32Å; H138-R148 WeakPolarHBondContact ND1-CG 3.33Å
139L97Very high96.8Very high0 Ų063.6 Ų63.60%034%0.338CS..EExtended strand (participates in β ladder)trans-112.1154.3162.967.774.2000111.2V126 K128 I129 T141 T146 I147 P150 I154 I160 I169V126-L139 HydrophobicContact CG1-CB 4.18Å; V126-L139 HydrophobicContact CG2-CD2 4.08Å; K128-L139 WeakPolarHBondContact O-CA 3.36Å; I129-L139 HydrophobicContact CG1-CB 4.17Å; L139-T141 HydrophobicContact CD1-CG2 3.78Å; L139-T146 VanDerWaalsContact O-CA 3.28Å; L139-T146 WeakPolarHBondContact O-CA 3.5Å; L139-I147 HydrophobicContact CD1-CB 3.91Å; L139-I147 HydrophobicContact CD1-CD1 4.16Å; L139-I147 HydrophobicContact CD1-CG1 4.16Å; L139-I147 HydrophobicContact CG-CB 4.14Å; L139-I147 PolarHBondContact N-O 2.8Å; L139-I147 PolarHBondContact O-N 2.67Å; L139-P150 HydrophobicContact CB-CG 4.37Å; L139-P150 HydrophobicContact CD2-CB 3.53Å; L139-P150 HydrophobicContact CD2-CG 4.17Å; L139-P150 HydrophobicContact CG-CB 4.1Å; L139-P150 HydrophobicContact CG-CG 4.33Å; L139-I154 HydrophobicContact CD2-CG2 4.21Å; L139-I160 HydrophobicContact CD1-CD1 3.89Å; L139-I160 HydrophobicContact CD2-CD1 4.18Å; L139-I169 HydrophobicContact CD2-CD1 3.78Å
140V98Very high96.8Very high21 Ų2161.2 Ų61.213%0.12733%0.327CS..EExtended strand (participates in β ladder)trans-121128.5172-176.50000109.4R127 K128 F130 R145R127-V140 PolarHBondContact N-O 3.18Å; K128-V140 HydrophobicContact CD-CG2 4.32Å; K128-V140 HydrophobicContact CG-CB 3.73Å; K128-V140 HydrophobicContact CG-CG2 3.87Å; K128-V140 PolarHBondContact N-O 3.19Å; K128-V140 PolarHBondContact O-N 2.94Å; F130-V140 HydrophobicContact CD1-CG2 4.26Å; F130-V140 HydrophobicContact CE1-CG2 3.64Å; V140-R145 WeakPolarHBondContact CA-O 3.17Å
141T97.9Very high96.7Very high1 Ų160.8 Ų60.81%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-88.5170.4179.460.80000112.6C124 K125 L139 D143 A144 R145 I160 I162C124-T141 HydrophobicContact CB-CG2 3.66Å; K125-T141 CarbonylContact O-C 3.45Å; K125-T141 VanDerWaalsContact O-CA 3.27Å; K125-T141 WeakPolarHBondContact O-CA 3.21Å; L139-T141 HydrophobicContact CD1-CG2 3.78Å; T141-D143 WeakPolarHBondContact CB-OD1 3.36Å; T141-D143 PolarHBondContact O-N 2.71Å; T141-D143 PolarHBondContact OG1-OD1 2.9Å; T141-A144 PolarHBondContact O-N 3.1Å; T141-A144 VanDerWaalsContact O-N 3.09Å; T141-R145 HydrophobicContact CG2-CB 4.39Å; T141-R145 PolarHBondContact N-O 3.04Å; T141-R145 WeakPolarHBondContact OG1-CB 3.38Å; T141-R145 PolarHBondContact OG1-N 3.4Å; T141-R145 PolarHBondContact OG1-O 2.79Å; T141-I160 HydrophobicContact CG2-CD1 3.83Å; T141-I160 HydrophobicContact CG2-CG1 4.46Å; T141-I162 HydrophobicContact CG2-CD1 4.3Å
142H97.1Very high96.6Very high34 Ų3461.1 Ų61.116%0.15733%0.332CS..THydrogen-bonded Turntrans-61.6-29.7175.276.6-65.9000114.5H36 F86 K125 R127 A144 F226H36-H142 AromaticContact CE1-CD2 3.94Å; H36-H142 AromaticContact CE1-NE2 3.79Å; F86-H142 PolarHBondContact O-NE2 3.06Å; K125-H142 HydrophobicContact CB-CB 4.41Å; K125-H142 PolarHBondContact N-ND1 2.85Å; K125-H142 PolarHBondContact O-N 3.2Å; R127-H142 HydrophobicContact CG-CB 4.22Å; H142-A144 VanDerWaalsContact C-N 3.29Å; H142-F226 AromaticContact CE1-CE2 3.76Å; H142-F226 AromaticContact ND1-CE2 3.88Å
143D95.8Very high96.7Very high5 Ų564.5 Ų64.53%0.02735%0.345CS..THydrogen-bonded Turntrans-92.724.1173.667.6-30.2000112.5P35 K122 C124 T141 R145P35-D143 HydrophobicContact CB-CB 4.07Å; P35-D143 WeakPolarHBondContact CB-O 3.17Å; K122-D143 IonicContact NZ-OD2 3.87Å; K122-D143 PolarHBondContact NZ-OD2 2.83Å; C124-D143 PolarHBondContact SG-OD1 3.31Å; T141-D143 WeakPolarHBondContact CB-OD1 3.36Å; T141-D143 PolarHBondContact O-N 2.71Å; T141-D143 PolarHBondContact OG1-OD1 2.9Å; D143-R145 PolarHBondContact O-N 3.19Å; D143-R145 VanDerWaalsContact O-N 3.08Å; D143-R145 VanDerWaalsContact OD2-CD 3.32Å; D143-R145 WeakPolarHBondContact OD2-CD 3.32Å; D143-R145 IonicContact OD2-CZ 3.63Å; D143-R145 IonicContact OD2-NE 3.18Å; D143-R145 PolarHBondContact OD2-NE 2.97Å
144A96.3Very high96.7Very high64 Ų6459 Ų5953%0.52931%0.311SS..  trans61.416.1172.500000116.4T141 H142T141-A144 PolarHBondContact O-N 3.1Å; T141-A144 VanDerWaalsContact O-N 3.09Å; H142-A144 VanDerWaalsContact C-N 3.29Å
145R96.3Very high96.8Very high61 Ų6155.3 Ų55.323%0.2330%0.295CS..  trans-71.5138.5170.1-59.2174.6178-103.6-1.5109D73 V140 T141 D143D73-R145 IonicContact OD2-CZ 3.89Å; D73-R145 IonicContact OD2-NH2 3.57Å; D73-R145 PolarHBondContact OD2-NH2 2.96Å; V140-R145 WeakPolarHBondContact CA-O 3.17Å; T141-R145 HydrophobicContact CG2-CB 4.39Å; T141-R145 PolarHBondContact N-O 3.04Å; T141-R145 WeakPolarHBondContact OG1-CB 3.38Å; T141-R145 PolarHBondContact OG1-N 3.4Å; T141-R145 PolarHBondContact OG1-O 2.79Å; D143-R145 PolarHBondContact O-N 3.19Å; D143-R145 VanDerWaalsContact O-N 3.08Å; D143-R145 VanDerWaalsContact OD2-CD 3.32Å; D143-R145 WeakPolarHBondContact OD2-CD 3.32Å; D143-R145 IonicContact OD2-CZ 3.63Å; D143-R145 IonicContact OD2-NE 3.18Å; D143-R145 PolarHBondContact OD2-NE 2.97Å
146T97.1Very high96.8Very high80 Ų8055.9 Ų55.949%0.49129%0.288SS..EExtended strand (participates in β ladder)trans-110.6121.2172.4-57.50000108.7F130 H138 L139F130-T146 HydrophobicContact CE1-CG2 4.49Å; F130-T146 HydrophobicContact CZ-CG2 4.31Å; H138-T146 HydrophobicContact CB-CG2 4.13Å; L139-T146 VanDerWaalsContact O-CA 3.28Å; L139-T146 WeakPolarHBondContact O-CA 3.5Å
147I96.4Very high96.8Very high23 Ų2356.2 Ų56.212%0.11829%0.29CS..EExtended strand (participates in β ladder)trans-115.7130.5-178.8-57.3175.3000108.3H138 L139 I160 I162 I169H138-I147 WeakPolarHBondContact CA-O 3.33Å; L139-I147 HydrophobicContact CD1-CB 3.91Å; L139-I147 HydrophobicContact CD1-CD1 4.16Å; L139-I147 HydrophobicContact CD1-CG1 4.16Å; L139-I147 HydrophobicContact CG-CB 4.14Å; L139-I147 PolarHBondContact N-O 2.8Å; L139-I147 PolarHBondContact O-N 2.67Å; I147-I160 HydrophobicContact CD1-CD1 3.79Å; I147-I162 HydrophobicContact CD1-CD1 3.7Å; I147-I162 HydrophobicContact CD1-CG1 4.05Å; I147-I169 HydrophobicContact CB-CD1 4.43Å; I147-I169 HydrophobicContact CD1-CD1 4.06Å; I147-I169 HydrophobicContact CD1-CG1 3.82Å; I147-I169 HydrophobicContact CG2-CD1 3.92Å; I147-I169 HydrophobicContact CG2-CG1 4.15Å
148R96.1Very high96.8Very high153 Ų15354.4 Ų54.458%0.57728%0.277SS*.EExtended strand (participates in β ladder)trans-89.6152.5178.4-69.1-170-64.9164.90.9110.7I136 H138 P150I136-R148 HydrophobicContact CG2-CB 4.38Å; I136-R148 HydrophobicContact CG2-CG 4.38Å; H138-R148 WeakPolarHBondContact CE1-CG 3.32Å; H138-R148 WeakPolarHBondContact ND1-CG 3.33Å; R148-P150 VanDerWaalsContact C-CD 3.49Å
149Y95.8Very high96.8Very high151 Ų15153 Ų5359%0.59227%0.271SS*.SBendtrans52.449.6177.5-52.7-73.9000113.2I136 P137I136-Y149 HydrophobicContact CB-CE1 4.37Å; I136-Y149 WeakPolarHBondContact CD1-OH 3.28Å; I136-Y149 HydrophobicContact CG1-CE1 4.13Å; I136-Y149 WeakPolarHBondContact CG1-OH 3.49Å; I136-Y149 HydrophobicContact CG2-CD1 4.21Å; I136-Y149 HydrophobicContact CG2-CD2 4.49Å; I136-Y149 HydrophobicContact CG2-CE1 3.77Å; I136-Y149 HydrophobicContact CG2-CE2 4.09Å; P137-Y149 PolarHBondContact O-N 3.23Å
150P96.9Very high96.9Very high15 Ų1553 Ų5310%0.09727%0.271CS..  trans-66.8158.7171.733-36.3000110.7P137 L139 R148 I154 I169P137-P150 HydrophobicContact CB-CG 4.45Å; P137-P150 VanDerWaalsContact O-CD 3.29Å; P137-P150 WeakPolarHBondContact O-CD 3.41Å; L139-P150 HydrophobicContact CB-CG 4.37Å; L139-P150 HydrophobicContact CD2-CB 3.53Å; L139-P150 HydrophobicContact CD2-CG 4.17Å; L139-P150 HydrophobicContact CG-CB 4.1Å; L139-P150 HydrophobicContact CG-CG 4.33Å; R148-P150 VanDerWaalsContact C-CD 3.49Å; P150-I154 HydrophobicContact CB-CD1 4.28Å; P150-I169 HydrophobicContact CB-CD1 4.32Å
151D96Very high96.9Very high73 Ų7353.7 Ų53.739%0.3927%0.273SS..  trans-56130.2171.7-171.4-55.1000110.5L153 I154 F172D151-L153 PolarHBondContact O-N 3.28Å; D151-L153 VanDerWaalsContact O-N 3.1Å; D151-L153 WeakPolarHBondContact OD1-CB 3.37Å; D151-L153 WeakPolarHBondContact OD1-CG 3.38Å; D151-L153 PolarHBondContact OD1-N 3.24Å; D151-I154 HydrophobicContact CB-CD1 3.83Å; D151-I154 HydrophobicContact CB-CG1 4.08Å; D151-I154 WeakPolarHBondContact O-CB 3.38Å; D151-I154 PolarHBondContact O-N 3.41Å; D151-F172 HydrophobicContact CB-CE1 4.41Å
152P96Very high96.8Very high110 Ų11053.7 Ų53.771%0.71427%0.273SS*.THydrogen-bonded Turntrans-57.9-22-179.7-25.334.5000115.2I154 K155P152-I154 VanDerWaalsContact C-N 3.29Å; P152-K155 PolarHBondContact O-NZ 3.24Å
153L97Very high96.8Very high94 Ų9453.8 Ų53.849%0.49227%0.274SS..THydrogen-bonded Turntrans-73.4-20178.1-63174.8000113D151 F172D151-L153 PolarHBondContact O-N 3.28Å; D151-L153 VanDerWaalsContact O-N 3.1Å; D151-L153 WeakPolarHBondContact OD1-CB 3.37Å; D151-L153 WeakPolarHBondContact OD1-CG 3.38Å; D151-L153 PolarHBondContact OD1-N 3.24Å; L153-F172 HydrophobicContact CB-CE2 4.24Å; L153-F172 HydrophobicContact CB-CZ 3.74Å; L153-F172 HydrophobicContact CD1-CZ 4.31Å
154I97.5Very high96.8Very high5 Ų554.4 Ų54.43%0.02628%0.278CS..  trans-71.6128.9179.4-63.2167.5000109.6V126 I129 L139 P150 D151 P152 D158 I160 I169 F172V126-I154 HydrophobicContact CG2-CG2 3.87Å; I129-I154 WeakPolarHBondContact CD1-O 3.17Å; L139-I154 HydrophobicContact CD2-CG2 4.21Å; P150-I154 HydrophobicContact CB-CD1 4.28Å; D151-I154 HydrophobicContact CB-CD1 3.83Å; D151-I154 HydrophobicContact CB-CG1 4.08Å; D151-I154 WeakPolarHBondContact O-CB 3.38Å; D151-I154 PolarHBondContact O-N 3.41Å; P152-I154 VanDerWaalsContact C-N 3.29Å; I154-D158 HydrophobicContact CG2-CB 4.47Å; I154-I160 HydrophobicContact CD1-CG2 3.89Å; I154-I160 HydrophobicContact CG1-CG2 4.46Å; I154-I160 HydrophobicContact CG2-CG2 4.14Å; I154-I169 HydrophobicContact CD1-CD1 4.28Å; I154-F172 HydrophobicContact CD1-CB 4.35Å; I154-F172 HydrophobicContact CD1-CD1 4.17Å; I154-F172 HydrophobicContact CD1-CG 4.23Å; I154-F172 HydrophobicContact CG1-CB 4.14Å; I154-F172 HydrophobicContact CG1-CD1 3.87Å; I154-F172 HydrophobicContact CG1-CD2 3.86Å; I154-F172 HydrophobicContact CG1-CE1 4.21Å; I154-F172 HydrophobicContact CG1-CE2 4.2Å; I154-F172 HydrophobicContact CG1-CG 3.69Å; I154-F172 HydrophobicContact CG1-CZ 4.37Å
155K97.1Very high96.7Very high122 Ų12258.9 Ų58.953%0.5329%0.288SS..  trans-119.7173.2177.5-57.4-57.6177-154.50111.9P152 D158P152-K155 PolarHBondContact O-NZ 3.24Å; K155-D158 PolarHBondContact N-OD2 3.12Å; K155-D158 WeakPolarHBondContact O-CB 3.48Å; K155-D158 PolarHBondContact O-N 3.35Å
156V96.6Very high96.6Very high65 Ų6559.9 Ų59.939%0.39430%0.3SS..THydrogen-bonded Turntrans-66.4138177.4-178.60000110R127 I129 D158R127-V156 WeakPolarHBondContact O-CG1 3.15Å; I129-V156 HydrophobicContact CD1-CG2 4.47Å; I129-V156 HydrophobicContact CG1-CG2 4.3Å; V156-D158 VanDerWaalsContact C-N 3.3Å
157N97Very high96.5Very high29 Ų2957.5 Ų57.516%0.15529%0.292CS..THydrogen-bonded Turntrans79.5-7.9-173-53.5-69.2000116.6K125 V126 F175 L222K125-N157 WeakPolarHBondContact CE-OD1 3.41Å; K125-N157 PolarHBondContact NZ-OD1 3.41Å; V126-N157 WeakPolarHBondContact O-CA 3.37Å; V126-N157 PolarHBondContact O-N 3.01Å; N157-F175 HydrophobicContact CB-CB 4.18Å; N157-F175 HydrophobicContact CB-CD1 4.21Å; N157-F175 HydrophobicContact CB-CG 4.11Å; N157-L222 HydrophobicContact CB-CD1 4.5Å
158D97.4Very high96.4Very high7 Ų763.4 Ų63.44%0.03732%0.317CS..  trans-65.1158.1168.7-64.5-8.4000110.3K125 V126 I154 K155 V156 I173 K174 F175K125-D158 WeakPolarHBondContact CA-O 3.35Å; V126-D158 PolarHBondContact N-O 3.02Å; I154-D158 HydrophobicContact CG2-CB 4.47Å; K155-D158 PolarHBondContact N-OD2 3.12Å; K155-D158 WeakPolarHBondContact O-CB 3.48Å; K155-D158 PolarHBondContact O-N 3.35Å; V156-D158 VanDerWaalsContact C-N 3.3Å; D158-I173 WeakPolarHBondContact CA-O 3.38Å; D158-I173 WeakPolarHBondContact CB-O 3.2Å; D158-K174 WeakPolarHBondContact OD1-CA 2.99Å; D158-F175 PolarHBondContact OD1-N 2.98Å
159T98.2Very high96.5Very high0 Ų058.2 Ų58.20%030%0.3CS..EExtended strand (participates in β ladder)trans-109.6130.4174.6-63.20000109.4L123 C124 F172 I173 F226 V227L123-T159 HydrophobicContact CB-CG2 3.66Å; L123-T159 HydrophobicContact CD1-CG2 4.15Å; L123-T159 HydrophobicContact CD2-CG2 4.43Å; L123-T159 HydrophobicContact CG-CG2 4.3Å; C124-T159 WeakPolarHBondContact O-CA 3.48Å; T159-F172 CarbonylContact O-C 3.58Å; T159-F172 VanDerWaalsContact O-CA 3.31Å; T159-F172 WeakPolarHBondContact O-CA 3.28Å; T159-I173 PolarHBondContact N-O 2.86Å; T159-I173 PolarHBondContact O-N 3.47Å; T159-F226 HydrophobicContact CG2-CD1 4.45Å; T159-F226 HydrophobicContact CG2-CE1 3.58Å; T159-F226 HydrophobicContact CG2-CZ 3.95Å; T159-V227 WeakPolarHBondContact CB-O 3.36Å; T159-V227 VanDerWaalsContact CG2-O 3.31Å; T159-V227 WeakPolarHBondContact CG2-O 3.38Å; T159-V227 PolarHBondContact OG1-N 2.92Å; T159-V227 PolarHBondContact OG1-O 2.99Å
160I97.8Very high96.5Very high0 Ų055.2 Ų55.20%030%0.297CS..EExtended strand (participates in β ladder)trans-104145.7174.655.6164.3000110.2L123 C124 V126 L139 T141 I147 I154 I162 I169 F172L123-I160 CarbonylContact C-O 3.52Å; L123-I160 WeakPolarHBondContact CA-O 3.26Å; C124-I160 HydrophobicContact CB-CD1 4.45Å; C124-I160 HydrophobicContact CB-CG1 4Å; C124-I160 PolarHBondContact N-O 3.44Å; C124-I160 WeakPolarHBondContact O-CG1 3.49Å; C124-I160 PolarHBondContact O-N 2.85Å; V126-I160 HydrophobicContact CG2-CG1 4.34Å; V126-I160 HydrophobicContact CG2-CG2 3.92Å; L139-I160 HydrophobicContact CD1-CD1 3.89Å; L139-I160 HydrophobicContact CD2-CD1 4.18Å; T141-I160 HydrophobicContact CG2-CD1 3.83Å; T141-I160 HydrophobicContact CG2-CG1 4.46Å; I147-I160 HydrophobicContact CD1-CD1 3.79Å; I154-I160 HydrophobicContact CD1-CG2 3.89Å; I154-I160 HydrophobicContact CG1-CG2 4.46Å; I154-I160 HydrophobicContact CG2-CG2 4.14Å; I160-I162 HydrophobicContact CD1-CD1 3.82Å; I160-I162 HydrophobicContact CD1-CG1 3.81Å; I160-I162 HydrophobicContact CG1-CD1 4.38Å; I160-I162 HydrophobicContact CG1-CG1 4.2Å; I160-I169 HydrophobicContact CB-CG2 4.03Å; I160-I169 HydrophobicContact CD1-CD1 3.73Å; I160-I169 HydrophobicContact CD1-CG1 3.87Å; I160-I169 HydrophobicContact CG2-CD1 4.31Å; I160-I169 HydrophobicContact CG2-CG2 4.21Å; I160-F172 HydrophobicContact CG2-CB 3.92Å
161Q97.7Very high96.5Very high36 Ų3657.5 Ų57.517%0.16831%0.309CS..EExtended strand (participates in β ladder)trans-92.8125.4166.6-174.4176.80.100108.6Y121 L123 I169 T170 D171 W235Y121-Q161 HydrophobicContact CD2-CG 3.79Å; Y121-Q161 HydrophobicContact CG-CG 4.14Å; L123-Q161 HydrophobicContact CD2-CB 3.87Å; L123-Q161 HydrophobicContact CD2-CG 4.09Å; Q161-I169 WeakPolarHBondContact O-CA 3.27Å; Q161-T170 WeakPolarHBondContact CG-OG1 3.22Å; Q161-T170 PolarHBondContact O-N 3.4Å; Q161-T170 PolarHBondContact O-OG1 2.91Å; Q161-D171 PolarHBondContact N-O 2.8Å; Q161-W235 HydrophobicContact CB-CE3 4.19Å; Q161-W235 HydrophobicContact CB-CZ3 3.92Å
162I97.4Very high96.5Very high1 Ų155.7 Ų55.71%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-111.3128.2179.6-61.9172000108.1Y121 K122 C124 T141 I147 I160 K168Y121-I162 VanDerWaalsContact CA-O 3.24Å; Y121-I162 WeakPolarHBondContact CA-O 3.42Å; Y121-I162 WeakPolarHBondContact CB-O 3.39Å; K122-I162 PolarHBondContact N-O 2.79Å; K122-I162 PolarHBondContact O-N 3.49Å; C124-I162 HydrophobicContact CB-CD1 3.73Å; T141-I162 HydrophobicContact CG2-CD1 4.3Å; I147-I162 HydrophobicContact CD1-CD1 3.7Å; I147-I162 HydrophobicContact CD1-CG1 4.05Å; I160-I162 HydrophobicContact CD1-CD1 3.82Å; I160-I162 HydrophobicContact CD1-CG1 3.81Å; I160-I162 HydrophobicContact CG1-CD1 4.38Å; I160-I162 HydrophobicContact CG1-CG1 4.2Å; I162-K168 WeakPolarHBondContact CA-O 3.32Å
163D96.9Very high96.6Very high35 Ų3550.4 Ų50.419%0.18726%0.263CS..EExtended strand (participates in β ladder)trans-71.6122162.6168.616.3000109E165 T166 G167 K168 T170D163-E165 VanDerWaalsContact C-N 3.3Å; D163-E165 PolarHBondContact O-N 2.67Å; D163-E165 PolarHBondContact OD1-N 3.26Å; D163-T166 WeakPolarHBondContact OD2-CB 3.17Å; D163-T166 VanDerWaalsContact OD2-CG2 3.26Å; D163-T166 WeakPolarHBondContact OD2-CG2 3.39Å; D163-T166 PolarHBondContact OD2-OG1 2.96Å; D163-G167 WeakPolarHBondContact O-CA 3.44Å; D163-G167 PolarHBondContact O-N 3.27Å; D163-K168 PolarHBondContact N-O 2.97Å; D163-T170 HydrophobicContact CB-CG2 3.92Å
164L95.4Very high96.6Very high19 Ų1950.9 Ų50.910%0.09926%0.262CS..THydrogen-bonded Turntrans-71.7-23.6-174.2-73.8176.8000113.4D73 V89 A119 K120 K122D73-L164 HydrophobicContact CB-CD2 3.75Å; V89-L164 HydrophobicContact CB-CD1 4.01Å; V89-L164 HydrophobicContact CG2-CD1 4.02Å; A119-L164 WeakPolarHBondContact O-CD1 3.5Å; K120-L164 WeakPolarHBondContact O-CB 3.4Å; K120-L164 PolarHBondContact O-N 2.86Å; K122-L164 HydrophobicContact CB-CD2 4.49Å; K122-L164 HydrophobicContact CD-CD2 3.66Å; K122-L164 HydrophobicContact CG-CD2 3.78Å; K122-L164 HydrophobicContact CG-CG 4.38Å
165E94.5Very high96.5Very high158 Ų15851.9 Ų51.974%0.73827%0.266SS*.THydrogen-bonded Turntrans-77.4-53.2179.3-65.8-176.6-178.800110.8D163D163-E165 VanDerWaalsContact C-N 3.3Å; D163-E165 PolarHBondContact O-N 2.67Å; D163-E165 PolarHBondContact OD1-N 3.26Å
166T94.7Very high96.4Very high81 Ų8150.9 Ų50.950%0.49727%0.266SS..THydrogen-bonded Turntrans-86-22.3-176.5640000113.4D163 K168D163-T166 WeakPolarHBondContact OD2-CB 3.17Å; D163-T166 VanDerWaalsContact OD2-CG2 3.26Å; D163-T166 WeakPolarHBondContact OD2-CG2 3.39Å; D163-T166 PolarHBondContact OD2-OG1 2.96Å; T166-K168 PolarHBondContact O-N 2.79Å; T166-K168 PolarHBondContact OG1-N 2.82Å
167G93.4Very high96.3Very high30 Ų3051.6 Ų51.631%0.30927%0.271SS..  trans70.210.1-171.400000113.9D163D163-G167 WeakPolarHBondContact O-CA 3.44Å; D163-G167 PolarHBondContact O-N 3.27Å
168K95.6Very high96.2Very high148 Ų14851.7 Ų51.764%0.64328%0.279SS*.  trans-86154.9178.6-64.5-178.5-179.3178.70110.9I162 D163 T166I162-K168 WeakPolarHBondContact CA-O 3.32Å; D163-K168 PolarHBondContact N-O 2.97Å; T166-K168 PolarHBondContact O-N 2.79Å; T166-K168 PolarHBondContact OG1-N 2.82Å
169I96.9Very high96.2Very high44 Ų4452.6 Ų52.623%0.22628%0.284CS..EExtended strand (participates in β ladder)trans-82.2130.5174.7-57.9172.9000107.9L139 I147 P150 I154 I160 Q161L139-I169 HydrophobicContact CD2-CD1 3.78Å; I147-I169 HydrophobicContact CB-CD1 4.43Å; I147-I169 HydrophobicContact CD1-CD1 4.06Å; I147-I169 HydrophobicContact CD1-CG1 3.82Å; I147-I169 HydrophobicContact CG2-CD1 3.92Å; I147-I169 HydrophobicContact CG2-CG1 4.15Å; P150-I169 HydrophobicContact CB-CD1 4.32Å; I154-I169 HydrophobicContact CD1-CD1 4.28Å; I160-I169 HydrophobicContact CB-CG2 4.03Å; I160-I169 HydrophobicContact CD1-CD1 3.73Å; I160-I169 HydrophobicContact CD1-CG1 3.87Å; I160-I169 HydrophobicContact CG2-CD1 4.31Å; I160-I169 HydrophobicContact CG2-CG2 4.21Å; Q161-I169 WeakPolarHBondContact O-CA 3.27Å
170T96.3Very high96.2Very high87 Ų8753.3 Ų53.353%0.53429%0.287SS..EExtended strand (participates in β ladder)trans-100.6-43179.155.80000112.4Q161 D163Q161-T170 WeakPolarHBondContact CG-OG1 3.22Å; Q161-T170 PolarHBondContact O-N 3.4Å; Q161-T170 PolarHBondContact O-OG1 2.91Å; D163-T170 HydrophobicContact CB-CG2 3.92Å
171D96.8Very high96.2Very high64 Ų6453.3 Ų53.334%0.34229%0.287SS..EExtended strand (participates in β ladder)trans-152.4169.8177.3-162.8-3.5000109.2Q161 K230 W235Q161-D171 PolarHBondContact N-O 2.8Å; D171-K230 IonicContact OD1-NZ 3.61Å; D171-K230 IonicContact OD2-NZ 3.41Å; D171-W235 HydrophobicContact CB-CH2 3.6Å; D171-W235 HydrophobicContact CB-CZ3 3.92Å; D171-W235 WeakPolarHBondContact OD2-CH2 3.42Å; D171-W235 WeakPolarHBondContact OD2-CZ2 3.43Å
172F97.4Very high96.2Very high34 Ų3451.6 Ų51.615%0.14928%0.279CS..EExtended strand (participates in β ladder)trans-144.4157176.768.8-84.2000112.8D151 L153 I154 T159 I160 K174 W235D151-F172 HydrophobicContact CB-CE1 4.41Å; L153-F172 HydrophobicContact CB-CE2 4.24Å; L153-F172 HydrophobicContact CB-CZ 3.74Å; L153-F172 HydrophobicContact CD1-CZ 4.31Å; I154-F172 HydrophobicContact CD1-CB 4.35Å; I154-F172 HydrophobicContact CD1-CD1 4.17Å; I154-F172 HydrophobicContact CD1-CG 4.23Å; I154-F172 HydrophobicContact CG1-CB 4.14Å; I154-F172 HydrophobicContact CG1-CD1 3.87Å; I154-F172 HydrophobicContact CG1-CD2 3.86Å; I154-F172 HydrophobicContact CG1-CE1 4.21Å; I154-F172 HydrophobicContact CG1-CE2 4.2Å; I154-F172 HydrophobicContact CG1-CG 3.69Å; I154-F172 HydrophobicContact CG1-CZ 4.37Å; T159-F172 CarbonylContact O-C 3.58Å; T159-F172 VanDerWaalsContact O-CA 3.31Å; T159-F172 WeakPolarHBondContact O-CA 3.28Å; I160-F172 HydrophobicContact CG2-CB 3.92Å; F172-K174 HydrophobicContact CD2-CG 4.35Å; F172-K174 HydrophobicContact CE2-CG 3.99Å; F172-W235 WeakPolarHBondContact O-CH2 3.37Å
173I97.2Very high96.2Very high0 Ų051.5 Ų51.50%028%0.279CS..EExtended strand (participates in β ladder)trans-119.9121.9176.2-49.3162.6000108.1D158 T159 V227 K230 W235D158-I173 WeakPolarHBondContact CA-O 3.38Å; D158-I173 WeakPolarHBondContact CB-O 3.2Å; T159-I173 PolarHBondContact N-O 2.86Å; T159-I173 PolarHBondContact O-N 3.47Å; I173-V227 HydrophobicContact CB-CG1 4.07Å; I173-V227 HydrophobicContact CD1-CG1 4.46Å; I173-V227 HydrophobicContact CG2-CG1 3.49Å; I173-V227 VanDerWaalsContact CG2-CG1 3.49Å; I173-K230 HydrophobicContact CG1-CG 4.3Å; I173-K230 HydrophobicContact CG2-CG 3.95Å; I173-W235 HydrophobicContact CD1-CD2 3.45Å; I173-W235 VanDerWaalsContact CD1-CD2 3.45Å; I173-W235 HydrophobicContact CD1-CE3 3.58Å; I173-W235 HydrophobicContact CD1-CG 3.91Å; I173-W235 HydrophobicContact CD1-CH2 4.16Å; I173-W235 HydrophobicContact CD1-CZ2 4.09Å; I173-W235 HydrophobicContact CD1-CZ3 3.93Å; I173-W235 HydrophobicContact CG1-CD2 3.79Å; I173-W235 HydrophobicContact CG1-CE3 3.76Å; I173-W235 HydrophobicContact CG1-CH2 3.39Å; I173-W235 HydrophobicContact CG1-CZ2 3.46Å; I173-W235 VanDerWaalsContact CG1-CZ2 3.46Å; I173-W235 HydrophobicContact CG1-CZ3 3.56Å
174K96.8Very high96.2Very high104 Ų10451.2 Ų51.245%0.45228%0.278SS..  trans-67.3140.1173.8-69.8-171.1175.8178.70111.1D158 F172 D176 N179D158-K174 WeakPolarHBondContact OD1-CA 2.99Å; F172-K174 HydrophobicContact CD2-CG 4.35Å; F172-K174 HydrophobicContact CE2-CG 3.99Å; K174-D176 PolarHBondContact O-N 2.97Å; K174-D176 VanDerWaalsContact O-N 3.08Å; K174-N179 PolarHBondContact O-ND2 3.3Å
175F96.2Very high96.2Very high26 Ų2650.8 Ų50.811%0.11428%0.279CS..  trans-76.293.7168.6174.6-105000109.2N157 D158 I195 V208 L222 I225 V227N157-F175 HydrophobicContact CB-CB 4.18Å; N157-F175 HydrophobicContact CB-CD1 4.21Å; N157-F175 HydrophobicContact CB-CG 4.11Å; D158-F175 PolarHBondContact OD1-N 2.98Å; F175-I195 HydrophobicContact CD2-CD1 3.79Å; F175-I195 HydrophobicContact CE2-CD1 3.55Å; F175-I195 HydrophobicContact CE2-CG1 4.5Å; F175-V208 HydrophobicContact CZ-CG1 4.35Å; F175-V208 HydrophobicContact CZ-CG2 3.88Å; F175-L222 HydrophobicContact CD1-CD1 4.15Å; F175-L222 HydrophobicContact CE1-CD1 3.35Å; F175-L222 HydrophobicContact CE2-CD1 3.89Å; F175-L222 HydrophobicContact CZ-CD1 3.21Å; F175-I225 HydrophobicContact CD2-CG2 4.36Å; F175-I225 HydrophobicContact CE2-CG2 3.89Å; F175-V227 HydrophobicContact CB-CG2 4.22Å; F175-V227 HydrophobicContact CD2-CG2 3.67Å; F175-V227 HydrophobicContact CG-CG2 4.44Å
176D94Very high96.3Very high101 Ų10146 Ų4654%0.5427%0.272SS..  trans-142.2166.7-179.8-155.2-2.8000110.8K174 N179K174-D176 PolarHBondContact O-N 2.97Å; K174-D176 VanDerWaalsContact O-N 3.08Å; D176-N179 PolarHBondContact O-N 3.08Å
177T95Very high96.4Very high80 Ų8046.9 Ų46.949%0.49129%0.287SS..THydrogen-bonded Turntrans-61.3141.5174.9-52.70000110.2I195 T196T177-I195 WeakPolarHBondContact CG2-O 3.27Å; T177-T196 WeakPolarHBondContact CG2-O 3.3Å
178G95.7Very high96.5Very high31 Ų3146.5 Ų46.532%0.3228%0.278SS..THydrogen-bonded Turntrans90-9.9-179.100000114.7V194 I195 G231G178-V194 VanDerWaalsContact C-CG1 3.48Å; G178-V194 WeakPolarHBondContact O-CG1 3.28Å; G178-I195 PolarHBondContact N-O 2.51Å; G178-G231 WeakPolarHBondContact O-CA 3.35Å
179N97.2Very high96.6Very high26 Ų2641 Ų4114%0.13926%0.255CS..  trans-86.9149.2177.1-73-26.4000113.1K174 D176 I195 V227 G229 K230 G231K174-N179 PolarHBondContact O-ND2 3.3Å; D176-N179 PolarHBondContact O-N 3.08Å; N179-I195 PolarHBondContact O-N 2.9Å; N179-V227 HydrophobicContact CB-CG1 3.92Å; N179-G229 WeakPolarHBondContact CB-O 3.48Å; N179-K230 WeakPolarHBondContact OD1-CA 3.48Å; N179-G231 PolarHBondContact OD1-N 3.08Å
180L97.2Very high96.6Very high14 Ų1438.9 Ų38.97%0.07324%0.244CC..EExtended strand (participates in β ladder)trans-76.4132.4179.6-162.470.3000110.3I192 V194 V227 I228 G229 G231 P234L180-I192 HydrophobicContact CD1-CG2 3.75Å; L180-I192 HydrophobicContact CD2-CG2 4.04Å; L180-I192 HydrophobicContact CG-CG2 3.81Å; L180-V194 HydrophobicContact CD1-CG2 4.13Å; L180-V227 CarbonylContact O-C 3.43Å; L180-V227 WeakPolarHBondContact O-CA 3.43Å; L180-V227 WeakPolarHBondContact O-CG1 3.39Å; L180-I228 HydrophobicContact CB-CG1 4.22Å; L180-I228 HydrophobicContact CD2-CD1 3.85Å; L180-I228 HydrophobicContact CD2-CG1 4Å; L180-I228 HydrophobicContact CG-CD1 4.13Å; L180-I228 HydrophobicContact CG-CG1 3.99Å; L180-I228 PolarHBondContact O-N 2.76Å; L180-G229 PolarHBondContact N-O 2.85Å; L180-G229 VanDerWaalsContact N-O 3.15Å; L180-G229 PolarHBondContact O-N 3.13Å; L180-G231 WeakPolarHBondContact CB-O 3.43Å; L180-G231 PolarHBondContact N-O 3.37Å; L180-P234 HydrophobicContact CD2-CB 3.79Å; L180-P234 HydrophobicContact CD2-CG 4.4Å
181C97.4Very high96.6Very high0 Ų035.5 Ų35.50%022%0.222CC..EExtended strand (participates in β ladder)trans-131153.4177.773.30000112.7I192 G193 I195 I225 F226C181-I192 VanDerWaalsContact O-CA 3.27Å; C181-I192 WeakPolarHBondContact O-CA 3.19Å; C181-I192 WeakPolarHBondContact O-CG2 3.33Å; C181-G193 PolarHBondContact N-O 3.36Å; C181-G193 PolarHBondContact O-N 3.13Å; C181-G193 PolarHBondContact SG-O 3.47Å; C181-I195 HydrophobicContact CB-CD1 4.02Å; C181-I195 HydrophobicContact CB-CG1 3.99Å; C181-I225 HydrophobicContact CB-CG2 3.8Å; C181-F226 CarbonylContact C-O 3.58Å; C181-F226 WeakPolarHBondContact CA-O 3.49Å; C181-F226 WeakPolarHBondContact CB-O 3.26Å
182M97.7Very high96.6Very high0 Ų032.9 Ų32.90%021%0.208CC..EExtended strand (participates in β ladder)trans-111.8140.8165.8179.5173.1-78.300109.4F86 I102 R191 I192 F226 I228F86-M182 HydrophobicContact CE2-SD 3.45Å; F86-M182 WeakPolarHBondContact CE2-SD 3.24Å; F86-M182 HydrophobicContact CZ-CB 4.46Å; F86-M182 HydrophobicContact CZ-CG 4.26Å; F86-M182 HydrophobicContact CZ-SD 3.58Å; F86-M182 VanDerWaalsContact CZ-SD 3.58Å; I102-M182 HydrophobicContact CG2-CE 3.5Å; I102-M182 HydrophobicContact CG2-SD 3.68Å; M182-R191 WeakPolarHBondContact CA-O 3.07Å; M182-I192 HydrophobicContact CB-CG1 4.17Å; M182-I192 HydrophobicContact CE-CD1 3.36Å; M182-I192 HydrophobicContact CE-CG1 3.42Å; M182-I192 VanDerWaalsContact CE-CG1 3.42Å; M182-I192 HydrophobicContact CG-CG1 4.25Å; M182-F226 PolarHBondContact N-O 3.06Å; M182-F226 PolarHBondContact O-N 2.98Å; M182-I228 HydrophobicContact CB-CD1 4.25Å; M182-I228 HydrophobicContact CB-CG2 4.11Å
183V97.9Very high96.6Very high0 Ų031.3 Ų31.30%020%0.202CC..EExtended strand (participates in β ladder)trans-83.7126.8173-178.90000110.3G185 N188 G190 R191 F218 T220 N224V183-G185 WeakPolarHBondContact CG1-O 3.4Å; V183-N188 VanDerWaalsContact CB-O 3.26Å; V183-N188 WeakPolarHBondContact CB-O 3.38Å; V183-N188 HydrophobicContact CG1-CB 4.18Å; V183-N188 WeakPolarHBondContact CG1-O 3.16Å; V183-N188 HydrophobicContact CG2-CB 4.28Å; V183-G190 PolarHBondContact O-N 3.08Å; V183-R191 PolarHBondContact N-O 3.02Å; V183-F218 HydrophobicContact CG2-CE2 3.66Å; V183-F218 HydrophobicContact CG2-CZ 4.31Å; V183-T220 HydrophobicContact CG1-CG2 3.89Å; V183-T220 HydrophobicContact CG2-CG2 3.98Å; V183-N224 CarbonylContact C-O 3.59Å; V183-N224 VanDerWaalsContact CA-O 3.31Å; V183-N224 WeakPolarHBondContact CA-O 3.35Å; V183-N224 HydrophobicContact CG1-CB 4.4Å
184T97.3Very high96.6Very high28 Ų2832.8 Ų32.817%0.17221%0.21CC..  trans-105.30.1-177.459.50000114.2F86 Y103 L189 N224 F226F86-T184 HydrophobicContact CD1-CG2 3.68Å; F86-T184 HydrophobicContact CE1-CG2 3.51Å; F86-T184 HydrophobicContact CE2-CG2 4.42Å; F86-T184 HydrophobicContact CG-CG2 4.22Å; F86-T184 HydrophobicContact CZ-CG2 3.92Å; Y103-T184 HydrophobicContact CE2-CG2 4.46Å; T184-L189 WeakPolarHBondContact O-CD1 3.5Å; T184-N224 PolarHBondContact N-O 3.37Å; T184-N224 PolarHBondContact OG1-O 3.43Å; T184-F226 HydrophobicContact CG2-CB 3.63Å; T184-F226 HydrophobicContact CG2-CD2 4.34Å; T184-F226 HydrophobicContact CG2-CG 4.34Å
185G96.1Very high96.7Very high11 Ų1127.9 Ų27.911%0.11319%0.189CC..SBendtrans-162.7164.9178.200000114.4V183 N224V183-G185 WeakPolarHBondContact CG1-O 3.4Å; G185-N224 VanDerWaalsContact C-ND2 3.27Å; G185-N224 PolarHBondContact O-ND2 3.25Å; G185-N224 VanDerWaalsContact O-ND2 3.1Å
186G95.8Very high96.7Very high58 Ų5829.5 Ų29.560%0.59820%0.201SC*.SBendtrans79.3-163179.400000113.8N188 L189G186-N188 VanDerWaalsContact C-N 3.28Å; G186-N188 PolarHBondContact O-N 2.67Å; G186-L189 WeakPolarHBondContact O-CB 3.29Å; G186-L189 PolarHBondContact O-N 2.81Å
187A95.9Very high96.8Very high98 Ų9828.8 Ų28.881%0.8120%0.197SC*.THydrogen-bonded Turntrans-68.8-24.3-172.700000114.2
188N96.8Very high96.8Very high22 Ų2228.7 Ų28.712%0.11819%0.188CC..THydrogen-bonded Turntrans-9614.8-179.5-72.1-50000113.3V183 G186 G190 R191 F218 A219 T220 R245V183-N188 VanDerWaalsContact CB-O 3.26Å; V183-N188 WeakPolarHBondContact CB-O 3.38Å; V183-N188 HydrophobicContact CG1-CB 4.18Å; V183-N188 WeakPolarHBondContact CG1-O 3.16Å; V183-N188 HydrophobicContact CG2-CB 4.28Å; G186-N188 VanDerWaalsContact C-N 3.28Å; G186-N188 PolarHBondContact O-N 2.67Å; N188-G190 PolarHBondContact O-N 2.74Å; N188-R191 WeakPolarHBondContact O-CB 3.38Å; N188-R191 WeakPolarHBondContact O-CG 3.38Å; N188-R191 PolarHBondContact O-N 3.3Å; N188-R191 VanDerWaalsContact O-N 3.09Å; N188-R191 WeakPolarHBondContact OD1-CD 3.3Å; N188-R191 PolarHBondContact OD1-NH1 3.28Å; N188-F218 HydrophobicContact CB-CD2 3.84Å; N188-F218 HydrophobicContact CB-CE2 4.03Å; N188-F218 WeakPolarHBondContact ND2-CD2 3.47Å; N188-A219 PolarHBondContact ND2-O 3.47Å; N188-T220 HydrophobicContact CB-CG2 3.84Å; N188-R245 PolarHBondContact OD1-NH2 2.79Å
189L97Very high96.8Very high32 Ų3230.8 Ų30.817%0.16819%0.19CC..THydrogen-bonded Turntrans-48.5129.8-179179.164.6000112.5Y103 G107 T184 G186 R191Y103-L189 HydrophobicContact CD1-CD1 4.02Å; Y103-L189 HydrophobicContact CD1-CD2 4.29Å; Y103-L189 HydrophobicContact CD1-CG 4.26Å; Y103-L189 HydrophobicContact CD2-CD1 3.64Å; Y103-L189 HydrophobicContact CE1-CD1 4.15Å; Y103-L189 HydrophobicContact CE1-CD2 4.38Å; Y103-L189 HydrophobicContact CE2-CD1 3.77Å; Y103-L189 HydrophobicContact CG-CD1 3.78Å; Y103-L189 HydrophobicContact CG-CG 4.22Å; G107-L189 VanDerWaalsContact CA-CD2 3.44Å; G107-L189 WeakPolarHBondContact O-CD2 3.44Å; T184-L189 WeakPolarHBondContact O-CD1 3.5Å; G186-L189 WeakPolarHBondContact O-CB 3.29Å; G186-L189 PolarHBondContact O-N 2.81Å; L189-R191 VanDerWaalsContact C-N 3.28Å; L189-R191 PolarHBondContact O-N 2.86Å
190G96.5Very high96.7Very high0 Ų038.2 Ų38.20%022%0.216CC..THydrogen-bonded Turntrans79.5-0.6178.500000115.5D104 V183 N188D104-G190 WeakPolarHBondContact O-CA 3.48Å; V183-G190 PolarHBondContact O-N 3.08Å; N188-G190 PolarHBondContact O-N 2.74Å
191R97.4Very high96.7Very high17 Ų1741.1 Ų41.16%0.06423%0.229CC..  trans-72.3145.6169-64.7-176.681.3171.91110.9M182 V183 N188 L189 D212 F218 G243 R245M182-R191 WeakPolarHBondContact CA-O 3.07Å; V183-R191 PolarHBondContact N-O 3.02Å; N188-R191 WeakPolarHBondContact O-CB 3.38Å; N188-R191 WeakPolarHBondContact O-CG 3.38Å; N188-R191 PolarHBondContact O-N 3.3Å; N188-R191 VanDerWaalsContact O-N 3.09Å; N188-R191 WeakPolarHBondContact OD1-CD 3.3Å; N188-R191 PolarHBondContact OD1-NH1 3.28Å; L189-R191 VanDerWaalsContact C-N 3.28Å; L189-R191 PolarHBondContact O-N 2.86Å; R191-D212 IonicContact CZ-OD2 3.27Å; R191-D212 IonicContact NH2-OD2 3.76Å; R191-D212 PolarHBondContact NH2-OD2 2.89Å; R191-F218 HydrophobicContact CB-CE1 4.25Å; R191-F218 HydrophobicContact CB-CE2 4.3Å; R191-F218 HydrophobicContact CB-CZ 3.73Å; R191-F218 VanDerWaalsContact CZ-CE1 3.48Å; R191-F218 VanDerWaalsContact NH1-CD1 3.26Å; R191-G243 VanDerWaalsContact CA-O 3.29Å; R191-G243 WeakPolarHBondContact CA-O 3.33Å; R191-R245 HydrophobicContact CG-CB 3.98Å
192I97.3Very high96.5Very high8 Ų847.4 Ų47.44%0.04127%0.27CS..EExtended strand (participates in β ladder)trans-118139174.4-61174.6000109L180 C181 M182 D212 I228 L238 G243L180-I192 HydrophobicContact CD1-CG2 3.75Å; L180-I192 HydrophobicContact CD2-CG2 4.04Å; L180-I192 HydrophobicContact CG-CG2 3.81Å; C181-I192 VanDerWaalsContact O-CA 3.27Å; C181-I192 WeakPolarHBondContact O-CA 3.19Å; C181-I192 WeakPolarHBondContact O-CG2 3.33Å; M182-I192 HydrophobicContact CB-CG1 4.17Å; M182-I192 HydrophobicContact CE-CD1 3.36Å; M182-I192 HydrophobicContact CE-CG1 3.42Å; M182-I192 VanDerWaalsContact CE-CG1 3.42Å; M182-I192 HydrophobicContact CG-CG1 4.25Å; I192-D212 WeakPolarHBondContact O-CB 3.43Å; I192-I228 HydrophobicContact CD1-CD1 4.17Å; I192-I228 HydrophobicContact CG1-CD1 4.37Å; I192-I228 HydrophobicContact CG2-CD1 4.05Å; I192-L238 HydrophobicContact CD1-CD1 3.82Å; I192-L238 HydrophobicContact CD1-CD2 3.56Å; I192-L238 HydrophobicContact CD1-CG 4.16Å; I192-G243 PolarHBondContact N-O 3.11Å; I192-G243 VanDerWaalsContact N-O 3.08Å
193G97Very high96.3Very high2 Ų252 Ų522%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-170176.1173.800000112.2C181 K211C181-G193 PolarHBondContact N-O 3.36Å; C181-G193 PolarHBondContact O-N 3.13Å; C181-G193 PolarHBondContact SG-O 3.47Å; G193-K211 CarbonylContact C-O 3.46Å; G193-K211 WeakPolarHBondContact CA-O 3.41Å
194V97.5Very high96.1Very high30 Ų3055.9 Ų55.918%0.18234%0.344CS..EExtended strand (participates in β ladder)trans-88.2135.7178.8179.50000109.4G178 L180 T196 V210 K211 N232G178-V194 VanDerWaalsContact C-CG1 3.48Å; G178-V194 WeakPolarHBondContact O-CG1 3.28Å; L180-V194 HydrophobicContact CD1-CG2 4.13Å; V194-T196 PolarHBondContact O-N 3.09Å; V194-V210 WeakPolarHBondContact O-CA 3.43Å; V194-K211 PolarHBondContact N-O 2.69Å; V194-K211 PolarHBondContact O-N 3Å; V194-N232 VanDerWaalsContact CG2-OD1 3.23Å; V194-N232 WeakPolarHBondContact CG2-OD1 3.33Å
195I97.3Very high96Very high2 Ų260.2 Ų60.21%0.0136%0.361CS..EExtended strand (participates in β ladder)trans-68.5125.1173.4-62.6160.5000108.3F175 T177 G178 N179 C181 V208 I225 V227F175-I195 HydrophobicContact CD2-CD1 3.79Å; F175-I195 HydrophobicContact CE2-CD1 3.55Å; F175-I195 HydrophobicContact CE2-CG1 4.5Å; T177-I195 WeakPolarHBondContact CG2-O 3.27Å; G178-I195 PolarHBondContact N-O 2.51Å; N179-I195 PolarHBondContact O-N 2.9Å; C181-I195 HydrophobicContact CB-CD1 4.02Å; C181-I195 HydrophobicContact CB-CG1 3.99Å; I195-V208 HydrophobicContact CG1-CG1 4.42Å; I195-V208 HydrophobicContact CG2-CG1 3.72Å; I195-I225 HydrophobicContact CD1-CG2 4.3Å; I195-V227 HydrophobicContact CD1-CG2 4.1Å
196T96.6Very high96Very high60 Ų6061.1 Ų61.137%0.36836%0.362SS..EExtended strand (participates in β ladder)trans-108.1-39.1-177.553.30000112.7T177 V194 H209 K211T177-T196 WeakPolarHBondContact CG2-O 3.3Å; V194-T196 PolarHBondContact O-N 3.09Å; T196-H209 PolarHBondContact N-O 3.15Å; T196-H209 WeakPolarHBondContact OG1-CB 3.47Å; T196-H209 PolarHBondContact OG1-O 3.04Å; T196-K211 HydrophobicContact CG2-CB 3.64Å
197N95.9Very high96Very high86 Ų8660.1 Ų60.146%0.4635%0.345SS..EExtended strand (participates in β ladder)trans-153.6152.7-179.4-169.311.1000110.5V208 H209N197-V208 WeakPolarHBondContact O-CA 3.32Å; N197-V208 WeakPolarHBondContact O-CG1 3.19Å; N197-H209 HydrophobicContact CB-CB 4.25Å; N197-H209 PolarHBondContact O-N 3.3Å
198R95.6Very high96.1Very high78 Ų7855.4 Ų55.429%0.29431%0.306SS..EExtended strand (participates in β ladder)trans-125115.5172.1175.1-170.2-179.6178.8-5.5109.2R200 D206 V208R198-R200 HydrophobicContact CG-CG 4.37Å; R198-D206 IonicContact CZ-OD2 3.66Å; R198-D206 IonicContact NE-OD2 3.71Å; R198-D206 PolarHBondContact NE-OD2 3.28Å; R198-D206 IonicContact NH2-OD2 3.71Å; R198-D206 PolarHBondContact NH2-OD2 3.13Å; R198-V208 HydrophobicContact CB-CG2 4.49Å; R198-V208 HydrophobicContact CG-CG2 4.23Å
199E95.9Very high96.2Very high75 Ų7557 Ų5735%0.3531%0.313SS..EExtended strand (participates in β ladder)trans-85.6121.7169.2-68.7174.1-173.400109.3H201 D206 V207 H209E199-H201 IonicContact OE2-NE2 2.81Å; E199-D206 WeakPolarHBondContact O-CA 3.38Å; E199-V207 HydrophobicContact CB-CB 4.34Å; E199-V207 PolarHBondContact N-O 2.71Å; E199-V207 PolarHBondContact O-N 2.98Å; E199-H209 IonicContact OE1-CD2 2.72Å; E199-H209 IonicContact OE1-CE1 3.64Å; E199-H209 IonicContact OE1-NE2 2.78Å; E199-H209 PolarHBondContact OE1-NE2 3.39Å; E199-H209 IonicContact OE2-NE2 3.82Å
200R95.5Very high96.2Very high182 Ų18255.5 Ų55.569%0.68731%0.305SS*.  trans-94.4128.6178.1-64.1-174.7-175.9-172.42.4109.2R198 D206R198-R200 HydrophobicContact CG-CG 4.37Å; R200-D206 WeakPolarHBondContact CA-OD1 3.32Å
201H96.5Very high96.2Very high75 Ų7560.4 Ų60.435%0.34733%0.326SS..  trans-123.291.5176.7-61.6-71.4000109E199 G203 S204 F205 D206E199-H201 IonicContact OE2-NE2 2.81Å; H201-G203 PolarHBondContact O-N 3.02Å; H201-S204 CarbonylContact O-C 3.49Å; H201-S204 PolarHBondContact O-N 3.48Å; H201-F205 PolarHBondContact CD2-O 3.21Å; H201-D206 PolarHBondContact N-OD1 3.32Å
202P93.8Very high96.2Very high132 Ų13259.9 Ų59.986%0.85733%0.325SS*.THydrogen-bonded Turntrans-52.8128.9179-26.135000111.7S204P202-S204 PolarHBondContact O-N 2.93Å
203G93.3Very high96Very high96 Ų9663.9 Ų63.999%0.9936%0.359SS*.THydrogen-bonded Turntrans79.5-4.8-177.300000115.5H201H201-G203 PolarHBondContact O-N 3.02Å
204S94Very high95.8Very high81 Ų8168.2 Ų68.257%0.56638%0.382SS*.SBendtrans-130.9-167.6-179.9-166.60000111.5H201 P202H201-S204 CarbonylContact O-C 3.49Å; H201-S204 PolarHBondContact O-N 3.48Å; P202-S204 PolarHBondContact O-N 2.93Å
205F93.7Very high95.6Very high120 Ų12068.4 Ų68.453%0.52639%0.39SS..  trans-83.9117.4-179.4-56.5-71000111H201 R221H201-F205 PolarHBondContact CD2-O 3.21Å; F205-R221 HydrophobicContact CB-CG 4.25Å
206D96Very high95.6Very high29 Ų2972 Ų7216%0.15541%0.409CS..  trans-58.1137.6167.4-72.4-3.8000111.4R198 E199 R200 H201 R221 L222R198-D206 IonicContact CZ-OD2 3.66Å; R198-D206 IonicContact NE-OD2 3.71Å; R198-D206 PolarHBondContact NE-OD2 3.28Å; R198-D206 IonicContact NH2-OD2 3.71Å; R198-D206 PolarHBondContact NH2-OD2 3.13Å; E199-D206 WeakPolarHBondContact O-CA 3.38Å; R200-D206 WeakPolarHBondContact CA-OD1 3.32Å; H201-D206 PolarHBondContact N-OD1 3.32Å; D206-R221 WeakPolarHBondContact O-CA 3.42Å; D206-L222 HydrophobicContact CB-CB 3.94Å; D206-L222 HydrophobicContact CB-CD2 4.02Å; D206-L222 PolarHBondContact O-N 3.01Å
207V97.2Very high95.6Very high37 Ų3773.4 Ų73.422%0.22442%0.421CS..EExtended strand (participates in β ladder)trans-109.3139.5179.3-179.90000108.8E199 A219E199-V207 HydrophobicContact CB-CB 4.34Å; E199-V207 PolarHBondContact N-O 2.71Å; E199-V207 PolarHBondContact O-N 2.98Å; V207-A219 HydrophobicContact CG1-CB 3.85Å
208V97.7Very high95.6Very high0 Ų070.1 Ų70.10%040%0.403CS..EExtended strand (participates in β ladder)trans-127.3128.7-179-176.30000109.1F175 I195 N197 R198 V210 A219 T220 L222 I225F175-V208 HydrophobicContact CZ-CG1 4.35Å; F175-V208 HydrophobicContact CZ-CG2 3.88Å; I195-V208 HydrophobicContact CG1-CG1 4.42Å; I195-V208 HydrophobicContact CG2-CG1 3.72Å; N197-V208 WeakPolarHBondContact O-CA 3.32Å; N197-V208 WeakPolarHBondContact O-CG1 3.19Å; R198-V208 HydrophobicContact CB-CG2 4.49Å; R198-V208 HydrophobicContact CG-CG2 4.23Å; V208-V210 HydrophobicContact CG1-CG2 4.45Å; V208-A219 WeakPolarHBondContact O-CA 3.34Å; V208-T220 PolarHBondContact N-O 2.87Å; V208-T220 PolarHBondContact O-N 3.35Å; V208-L222 HydrophobicContact CG2-CB 4.19Å; V208-L222 HydrophobicContact CG2-CD1 3.91Å; V208-I225 HydrophobicContact CB-CD1 3.29Å; V208-I225 HydrophobicContact CB-CG1 4.5Å; V208-I225 HydrophobicContact CG1-CD1 3.21Å; V208-I225 HydrophobicContact CG2-CD1 3.92Å
209H98.1Very high95.7Very high55 Ų5568.4 Ų68.426%0.25541%0.405SS..EExtended strand (participates in β ladder)trans-91.9130.3177.9-65.4-76.6000110.3T196 N197 E199T196-H209 PolarHBondContact N-O 3.15Å; T196-H209 WeakPolarHBondContact OG1-CB 3.47Å; T196-H209 PolarHBondContact OG1-O 3.04Å; N197-H209 HydrophobicContact CB-CB 4.25Å; N197-H209 PolarHBondContact O-N 3.3Å; E199-H209 IonicContact OE1-CD2 2.72Å; E199-H209 IonicContact OE1-CE1 3.64Å; E199-H209 IonicContact OE1-NE2 2.78Å; E199-H209 PolarHBondContact OE1-NE2 3.39Å; E199-H209 IonicContact OE2-NE2 3.82Å
210V97.6Very high95.8Very high1 Ų165.6 Ų65.61%0.00639%0.393CS..EExtended strand (participates in β ladder)trans-127.5135.3-175.1-178.20000108.7V194 V208 S217 F218 I225V194-V210 WeakPolarHBondContact O-CA 3.43Å; V208-V210 HydrophobicContact CG1-CG2 4.45Å; V210-S217 CarbonylContact O-C 3.55Å; V210-S217 WeakPolarHBondContact O-CA 3.3Å; V210-F218 HydrophobicContact CB-CD2 4.22Å; V210-F218 HydrophobicContact CB-CE1 4.25Å; V210-F218 HydrophobicContact CB-CE2 3.7Å; V210-F218 HydrophobicContact CB-CZ 3.74Å; V210-F218 HydrophobicContact CG1-CE1 4.03Å; V210-F218 HydrophobicContact CG1-CE2 3.94Å; V210-F218 HydrophobicContact CG1-CZ 3.49Å; V210-F218 VanDerWaalsContact CG1-CZ 3.49Å; V210-F218 HydrophobicContact CG2-CE2 4.29Å; V210-F218 PolarHBondContact N-O 2.9Å; V210-F218 PolarHBondContact O-N 3.32Å; V210-I225 HydrophobicContact CG2-CD1 3.82Å
211K97.3Very high95.9Very high102 Ų10263 Ų6344%0.44338%0.383SS..EExtended strand (participates in β ladder)trans-112.9123174.7-173.2174.4-178.7178.20109.4G193 V194 T196G193-K211 CarbonylContact C-O 3.46Å; G193-K211 WeakPolarHBondContact CA-O 3.41Å; V194-K211 PolarHBondContact N-O 2.69Å; V194-K211 PolarHBondContact O-N 3Å; T196-K211 HydrophobicContact CG2-CB 3.64Å
212D95.6Very high95.9Very high7 Ų760.4 Ų60.44%0.03737%0.372CS..  trans-78.1172.817669.226000112.4R191 I192 N214 G215 N216 F218R191-D212 IonicContact CZ-OD2 3.27Å; R191-D212 IonicContact NH2-OD2 3.76Å; R191-D212 PolarHBondContact NH2-OD2 2.89Å; I192-D212 WeakPolarHBondContact O-CB 3.43Å; D212-N214 PolarHBondContact O-N 2.67Å; D212-N214 WeakPolarHBondContact OD1-CA 3.48Å; D212-N214 WeakPolarHBondContact OD1-CB 3.17Å; D212-N214 PolarHBondContact OD1-N 3.28Å; D212-G215 PolarHBondContact O-N 3.34Å; D212-G215 PolarHBondContact OD1-N 2.88Å; D212-G215 VanDerWaalsContact OD1-N 3.14Å; D212-N216 PolarHBondContact N-O 3.15Å; D212-N216 WeakPolarHBondContact OD1-CB 3.3Å; D212-N216 PolarHBondContact OD1-N 3.39Å; D212-N216 WeakPolarHBondContact OD2-CB 3.43Å; D212-N216 PolarHBondContact OD2-ND2 3.03Å; D212-F218 HydrophobicContact CB-CE1 4.31Å
213A93.9Very high96Very high92 Ų9257.6 Ų57.676%0.7636%0.355SS*.THydrogen-bonded Turntrans-65.3-19.4-178.900000113.8G215 I244A213-G215 VanDerWaalsContact C-N 3.28Å; A213-I244 HydrophobicContact CB-CD1 4.33Å
214N93.2Very high96.2Very high92 Ų9254.8 Ų54.849%0.49232%0.318SS..THydrogen-bonded Turntrans-87.71.5174.2-77.114.3000112.2D212 N216 I244D212-N214 PolarHBondContact O-N 2.67Å; D212-N214 WeakPolarHBondContact OD1-CA 3.48Å; D212-N214 WeakPolarHBondContact OD1-CB 3.17Å; D212-N214 PolarHBondContact OD1-N 3.28Å; N214-N216 VanDerWaalsContact C-N 3.33Å; N214-I244 WeakPolarHBondContact ND2-CG2 3.47Å
215G94.1Very high96.4Very high34 Ų3451 Ų5135%0.35129%0.291SS..SBendtrans85-0.2-179.500000114.7D212 A213 S217D212-G215 PolarHBondContact O-N 3.34Å; D212-G215 PolarHBondContact OD1-N 2.88Å; D212-G215 VanDerWaalsContact OD1-N 3.14Å; A213-G215 VanDerWaalsContact C-N 3.28Å; G215-S217 PolarHBondContact O-N 3.31Å
216N95.8Very high96.6Very high79 Ų7945.5 Ų45.542%0.42227%0.267SS..  trans-71.8128.3176.5-55.2-60.8000109.6D212 N214D212-N216 PolarHBondContact N-O 3.15Å; D212-N216 WeakPolarHBondContact OD1-CB 3.3Å; D212-N216 PolarHBondContact OD1-N 3.39Å; D212-N216 WeakPolarHBondContact OD2-CB 3.43Å; D212-N216 PolarHBondContact OD2-ND2 3.03Å; N214-N216 VanDerWaalsContact C-N 3.33Å
217S96.5Very high96.7Very high88 Ų8844.1 Ų44.162%0.61526%0.259SS*.EExtended strand (participates in β ladder)trans-99.1143.9177.7-59.20000110.9V210 G215V210-S217 CarbonylContact O-C 3.55Å; V210-S217 WeakPolarHBondContact O-CA 3.3Å; G215-S217 PolarHBondContact O-N 3.31Å
218F97.4Very high96.7Very high18 Ų1842.3 Ų42.38%0.07925%0.249CC..EExtended strand (participates in β ladder)trans-154.1158.2175.859.5-87.2000110.8V183 N188 R191 V210 D212 T220V183-F218 HydrophobicContact CG2-CE2 3.66Å; V183-F218 HydrophobicContact CG2-CZ 4.31Å; N188-F218 HydrophobicContact CB-CD2 3.84Å; N188-F218 HydrophobicContact CB-CE2 4.03Å; N188-F218 WeakPolarHBondContact ND2-CD2 3.47Å; R191-F218 HydrophobicContact CB-CE1 4.25Å; R191-F218 HydrophobicContact CB-CE2 4.3Å; R191-F218 HydrophobicContact CB-CZ 3.73Å; R191-F218 VanDerWaalsContact CZ-CE1 3.48Å; R191-F218 VanDerWaalsContact NH1-CD1 3.26Å; V210-F218 HydrophobicContact CB-CD2 4.22Å; V210-F218 HydrophobicContact CB-CE1 4.25Å; V210-F218 HydrophobicContact CB-CE2 3.7Å; V210-F218 HydrophobicContact CB-CZ 3.74Å; V210-F218 HydrophobicContact CG1-CE1 4.03Å; V210-F218 HydrophobicContact CG1-CE2 3.94Å; V210-F218 HydrophobicContact CG1-CZ 3.49Å; V210-F218 VanDerWaalsContact CG1-CZ 3.49Å; V210-F218 HydrophobicContact CG2-CE2 4.29Å; V210-F218 PolarHBondContact N-O 2.9Å; V210-F218 PolarHBondContact O-N 3.32Å; D212-F218 HydrophobicContact CB-CE1 4.31Å; F218-T220 HydrophobicContact CD2-CG2 4.29Å; F218-T220 HydrophobicContact CE2-CG2 4.47Å
219A97.5Very high96.6Very high42 Ų4242.3 Ų42.335%0.34725%0.249SC..EExtended strand (participates in β ladder)trans-113.5151.1179.400000112.1N188 V207 V208N188-A219 PolarHBondContact ND2-O 3.47Å; V207-A219 HydrophobicContact CG1-CB 3.85Å; V208-A219 WeakPolarHBondContact O-CA 3.34Å
220T97.8Very high96.4Very high15 Ų1544.4 Ų44.49%0.09226%0.257CS..EExtended strand (participates in β ladder)trans-146.1161.417160.50000111V183 N188 V208 F218 I225V183-T220 HydrophobicContact CG1-CG2 3.89Å; V183-T220 HydrophobicContact CG2-CG2 3.98Å; N188-T220 HydrophobicContact CB-CG2 3.84Å; V208-T220 PolarHBondContact N-O 2.87Å; V208-T220 PolarHBondContact O-N 3.35Å; F218-T220 HydrophobicContact CD2-CG2 4.29Å; F218-T220 HydrophobicContact CE2-CG2 4.47Å; T220-I225 WeakPolarHBondContact OG1-CG1 3.49Å
221R97.2Very high96.2Very high128 Ų12845.9 Ų45.948%0.48327%0.272SS..EExtended strand (participates in β ladder)trans-65.9144.7170.3-65.1-176.7-176.6-177.50.8110.2F205 D206 S223 N224F205-R221 HydrophobicContact CB-CG 4.25Å; D206-R221 WeakPolarHBondContact O-CA 3.42Å; R221-S223 PolarHBondContact O-N 3.27Å; R221-N224 PolarHBondContact O-N 2.78Å
222L96.8Very high95.8Very high20 Ų2047.4 Ų47.411%0.10529%0.285CS..G310 helixtrans-50.8-34.5177.4178.463.1000113.7K125 N157 F175 D206 V208 N224 I225K125-L222 PolarHBondContact NZ-O 3.36Å; N157-L222 HydrophobicContact CB-CD1 4.5Å; F175-L222 HydrophobicContact CD1-CD1 4.15Å; F175-L222 HydrophobicContact CE1-CD1 3.35Å; F175-L222 HydrophobicContact CE2-CD1 3.89Å; F175-L222 HydrophobicContact CZ-CD1 3.21Å; D206-L222 HydrophobicContact CB-CB 3.94Å; D206-L222 HydrophobicContact CB-CD2 4.02Å; D206-L222 PolarHBondContact O-N 3.01Å; V208-L222 HydrophobicContact CG2-CB 4.19Å; V208-L222 HydrophobicContact CG2-CD1 3.91Å; L222-N224 PolarHBondContact O-N 3.11Å; L222-I225 PolarHBondContact O-N 3.38Å
223S96.1Very high95.7Very high73 Ų7354.8 Ų54.851%0.5132%0.317SS..G310 helixtrans-59.3-31.817859.50000113.3R221R221-S223 PolarHBondContact O-N 3.27Å
224N97.3Very high95.8Very high38 Ų3852.3 Ų52.320%0.20329%0.293CS..G310 helixtrans-92.50.3-173.7-61.3-0.3000112.6V183 T184 G185 R221 L222V183-N224 CarbonylContact C-O 3.59Å; V183-N224 VanDerWaalsContact CA-O 3.31Å; V183-N224 WeakPolarHBondContact CA-O 3.35Å; V183-N224 HydrophobicContact CG1-CB 4.4Å; T184-N224 PolarHBondContact N-O 3.37Å; T184-N224 PolarHBondContact OG1-O 3.43Å; G185-N224 VanDerWaalsContact C-ND2 3.27Å; G185-N224 PolarHBondContact O-ND2 3.25Å; G185-N224 VanDerWaalsContact O-ND2 3.1Å; R221-N224 PolarHBondContact O-N 2.78Å; L222-N224 PolarHBondContact O-N 3.11Å
225I97.3Very high96Very high1 Ų150 Ų501%0.00528%0.277CS..EExtended strand (participates in β ladder)trans-92.9136.8176.5-73.3-166.4000110.6K125 F175 C181 I195 V208 V210 T220 L222K125-I225 WeakPolarHBondContact CD-O 3.5Å; K125-I225 WeakPolarHBondContact CE-O 3.25Å; K125-I225 PolarHBondContact NZ-O 2.94Å; F175-I225 HydrophobicContact CD2-CG2 4.36Å; F175-I225 HydrophobicContact CE2-CG2 3.89Å; C181-I225 HydrophobicContact CB-CG2 3.8Å; I195-I225 HydrophobicContact CD1-CG2 4.3Å; V208-I225 HydrophobicContact CB-CD1 3.29Å; V208-I225 HydrophobicContact CB-CG1 4.5Å; V208-I225 HydrophobicContact CG1-CD1 3.21Å; V208-I225 HydrophobicContact CG2-CD1 3.92Å; V210-I225 HydrophobicContact CG2-CD1 3.82Å; T220-I225 WeakPolarHBondContact OG1-CG1 3.49Å; L222-I225 PolarHBondContact O-N 3.38Å
226F98.1Very high96.1Very high4 Ų448.6 Ų48.62%0.01826%0.262CS..EExtended strand (participates in β ladder)trans-129.1117.7171.6-166.3-70.3000109.1F86 M87 L123 K125 H142 T159 C181 M182 T184 I228F86-F226 AromaticContact CD1-CD2 3.94Å; F86-F226 HydrophobicContact CD1-CD2 3.94Å; F86-F226 HydrophobicContact CD1-CE2 4.07Å; F86-F226 HydrophobicContact CD1-CG 4.41Å; F86-F226 HydrophobicContact CE1-CB 4.05Å; F86-F226 AromaticContact CE1-CD1 3.96Å; F86-F226 HydrophobicContact CE1-CD1 3.96Å; F86-F226 AromaticContact CE1-CD2 3.58Å; F86-F226 HydrophobicContact CE1-CD2 3.58Å; F86-F226 HydrophobicContact CE1-CE1 4.28Å; F86-F226 AromaticContact CE1-CE2 3.9Å; F86-F226 HydrophobicContact CE1-CE2 3.9Å; F86-F226 AromaticContact CE1-CG 3.61Å; F86-F226 HydrophobicContact CE1-CG 3.61Å; F86-F226 HydrophobicContact CE1-CZ 4.25Å; M87-F226 HydrophobicContact CE-CD1 4.43Å; M87-F226 HydrophobicContact CE-CE1 3.83Å; M87-F226 HydrophobicContact CE-CZ 4.39Å; M87-F226 HydrophobicContact CG-CE1 4.3Å; M87-F226 HydrophobicContact CG-CE2 4.46Å; M87-F226 HydrophobicContact CG-CZ 3.98Å; L123-F226 HydrophobicContact CB-CE1 3.84Å; L123-F226 HydrophobicContact CB-CZ 3.98Å; L123-F226 HydrophobicContact CD1-CE1 4.47Å; K125-F226 HydrophobicContact CB-CD2 3.6Å; K125-F226 HydrophobicContact CB-CE2 3.49Å; K125-F226 VanDerWaalsContact CB-CE2 3.49Å; K125-F226 HydrophobicContact CB-CG 4.4Å; K125-F226 HydrophobicContact CB-CZ 4.18Å; K125-F226 HydrophobicContact CD-CD2 4.4Å; H142-F226 AromaticContact CE1-CE2 3.76Å; H142-F226 AromaticContact ND1-CE2 3.88Å; T159-F226 HydrophobicContact CG2-CD1 4.45Å; T159-F226 HydrophobicContact CG2-CE1 3.58Å; T159-F226 HydrophobicContact CG2-CZ 3.95Å; C181-F226 CarbonylContact C-O 3.58Å; C181-F226 WeakPolarHBondContact CA-O 3.49Å; C181-F226 WeakPolarHBondContact CB-O 3.26Å; M182-F226 PolarHBondContact N-O 3.06Å; M182-F226 PolarHBondContact O-N 2.98Å; T184-F226 HydrophobicContact CG2-CB 3.63Å; T184-F226 HydrophobicContact CG2-CD2 4.34Å; T184-F226 HydrophobicContact CG2-CG 4.34Å; F226-I228 HydrophobicContact CD1-CG2 3.66Å; F226-I228 HydrophobicContact CE1-CG2 4.17Å
227V98Very high96.1Very high0 Ų046.7 Ų46.70%026%0.255CS..EExtended strand (participates in β ladder)trans-75.1128.5178.2-172.70000108.9T159 I173 F175 N179 L180 I195T159-V227 WeakPolarHBondContact CB-O 3.36Å; T159-V227 VanDerWaalsContact CG2-O 3.31Å; T159-V227 WeakPolarHBondContact CG2-O 3.38Å; T159-V227 PolarHBondContact OG1-N 2.92Å; T159-V227 PolarHBondContact OG1-O 2.99Å; I173-V227 HydrophobicContact CB-CG1 4.07Å; I173-V227 HydrophobicContact CD1-CG1 4.46Å; I173-V227 HydrophobicContact CG2-CG1 3.49Å; I173-V227 VanDerWaalsContact CG2-CG1 3.49Å; F175-V227 HydrophobicContact CB-CG2 4.22Å; F175-V227 HydrophobicContact CD2-CG2 3.67Å; F175-V227 HydrophobicContact CG-CG2 4.44Å; N179-V227 HydrophobicContact CB-CG1 3.92Å; L180-V227 CarbonylContact O-C 3.43Å; L180-V227 WeakPolarHBondContact O-CA 3.43Å; L180-V227 WeakPolarHBondContact O-CG1 3.39Å; I195-V227 HydrophobicContact CD1-CG2 4.1Å
228I97.5Very high96.1Very high0 Ų044.5 Ų44.50%024%0.236CC..EExtended strand (participates in β ladder)trans-121.3-4.3-174.258.9164.6000113.4M87 L123 L180 M182 I192 F226 W235 I236 L238M87-I228 HydrophobicContact CE-CG2 3.86Å; L123-I228 HydrophobicContact CD1-CB 4.44Å; L180-I228 HydrophobicContact CB-CG1 4.22Å; L180-I228 HydrophobicContact CD2-CD1 3.85Å; L180-I228 HydrophobicContact CD2-CG1 4Å; L180-I228 HydrophobicContact CG-CD1 4.13Å; L180-I228 HydrophobicContact CG-CG1 3.99Å; L180-I228 PolarHBondContact O-N 2.76Å; M182-I228 HydrophobicContact CB-CD1 4.25Å; M182-I228 HydrophobicContact CB-CG2 4.11Å; I192-I228 HydrophobicContact CD1-CD1 4.17Å; I192-I228 HydrophobicContact CG1-CD1 4.37Å; I192-I228 HydrophobicContact CG2-CD1 4.05Å; F226-I228 HydrophobicContact CD1-CG2 3.66Å; F226-I228 HydrophobicContact CE1-CG2 4.17Å; I228-W235 WeakPolarHBondContact O-CB 3.38Å; I228-W235 PolarHBondContact O-N 3.23Å; I228-I236 HydrophobicContact CB-CG1 4.4Å; I228-L238 HydrophobicContact CD1-CD2 3.92Å
229G96Very high95.9Very high0 Ų044.1 Ų44.10%024%0.235CC..EExtended strand (participates in β ladder)trans-170.2165-178.400000113.9N179 L180 K233N179-G229 WeakPolarHBondContact CB-O 3.48Å; L180-G229 PolarHBondContact N-O 2.85Å; L180-G229 VanDerWaalsContact N-O 3.15Å; L180-G229 PolarHBondContact O-N 3.13Å; G229-K233 WeakPolarHBondContact CA-O 3.4Å
230K94.1Very high95.6Very high99 Ų9953.2 Ų53.243%0.4326%0.261SS..EExtended strand (participates in β ladder)trans-92.8128.6173.6-69.4175.6177.8165.70108.8D171 I173 N179 N232 K233 W235D171-K230 IonicContact OD1-NZ 3.61Å; D171-K230 IonicContact OD2-NZ 3.41Å; I173-K230 HydrophobicContact CG1-CG 4.3Å; I173-K230 HydrophobicContact CG2-CG 3.95Å; N179-K230 WeakPolarHBondContact OD1-CA 3.48Å; K230-N232 PolarHBondContact O-N 2.84Å; K230-K233 PolarHBondContact N-O 3.38Å; K230-K233 PolarHBondContact O-N 2.94Å; K230-K233 VanDerWaalsContact O-N 3.11Å; K230-W235 HydrophobicContact CD-CZ2 3.95Å; K230-W235 HydrophobicContact CG-CZ2 4.32Å
231G92.1Very high95.3Very high31 Ų3154.4 Ų54.432%0.3228%0.276SS..THydrogen-bonded Turntrans58.9-130.9-175.500000111.9G178 N179 L180G178-G231 WeakPolarHBondContact O-CA 3.35Å; N179-G231 PolarHBondContact OD1-N 3.08Å; L180-G231 WeakPolarHBondContact CB-O 3.43Å; L180-G231 PolarHBondContact N-O 3.37Å
232N89.4Confident95.1Very high134 Ų13455.3 Ų55.372%0.71728%0.283SS*.THydrogen-bonded Turntrans-90.91.1175.8-69.2-23.9000114.2V194 K230 P234V194-N232 VanDerWaalsContact CG2-OD1 3.23Å; V194-N232 WeakPolarHBondContact CG2-OD1 3.33Å; K230-N232 PolarHBondContact O-N 2.84Å; N232-P234 WeakPolarHBondContact O-CD 3.36Å
233K94.5Very high94.9Very high162 Ų16254.4 Ų54.470%0.70428%0.279SS*.EExtended strand (participates in β ladder)trans-97.9109.1-175-173176.6178.8179.10110.5G229 K230G229-K233 WeakPolarHBondContact CA-O 3.4Å; K230-K233 PolarHBondContact N-O 3.38Å; K230-K233 PolarHBondContact O-N 2.94Å; K230-K233 VanDerWaalsContact O-N 3.11Å
234P96.3Very high94.9Very high41 Ų4152.7 Ų52.727%0.26626%0.264SS..EExtended strand (participates in β ladder)trans-69.1144.6174.531.4-35.2000110.4L180 N232 I236 L238L180-P234 HydrophobicContact CD2-CB 3.79Å; L180-P234 HydrophobicContact CD2-CG 4.4Å; N232-P234 WeakPolarHBondContact O-CD 3.36Å; P234-I236 WeakPolarHBondContact CB-O 3.38Å; P234-L238 HydrophobicContact CB-CD1 4.36Å; P234-L238 HydrophobicContact CB-CD2 4.04Å; P234-L238 HydrophobicContact CB-CG 4.18Å; P234-L238 HydrophobicContact CG-CD1 4.11Å; P234-L238 HydrophobicContact CG-CG 4.09Å
235W96.5Very high94.7Very high42 Ų4255.5 Ų55.516%0.15927%0.272CS..SBendtrans-83.3-1.1170.1-75.814.4000112.8Y121 L123 Q161 D171 F172 I173 I228 K230Y121-W235 PolarHBondContact OH-O 3.36Å; L123-W235 HydrophobicContact CD1-CB 4.18Å; L123-W235 HydrophobicContact CD2-CB 4.47Å; L123-W235 HydrophobicContact CD2-CE3 3.87Å; Q161-W235 HydrophobicContact CB-CE3 4.19Å; Q161-W235 HydrophobicContact CB-CZ3 3.92Å; D171-W235 HydrophobicContact CB-CH2 3.6Å; D171-W235 HydrophobicContact CB-CZ3 3.92Å; D171-W235 WeakPolarHBondContact OD2-CH2 3.42Å; D171-W235 WeakPolarHBondContact OD2-CZ2 3.43Å; F172-W235 WeakPolarHBondContact O-CH2 3.37Å; I173-W235 HydrophobicContact CD1-CD2 3.45Å; I173-W235 VanDerWaalsContact CD1-CD2 3.45Å; I173-W235 HydrophobicContact CD1-CE3 3.58Å; I173-W235 HydrophobicContact CD1-CG 3.91Å; I173-W235 HydrophobicContact CD1-CH2 4.16Å; I173-W235 HydrophobicContact CD1-CZ2 4.09Å; I173-W235 HydrophobicContact CD1-CZ3 3.93Å; I173-W235 HydrophobicContact CG1-CD2 3.79Å; I173-W235 HydrophobicContact CG1-CE3 3.76Å; I173-W235 HydrophobicContact CG1-CH2 3.39Å; I173-W235 HydrophobicContact CG1-CZ2 3.46Å; I173-W235 VanDerWaalsContact CG1-CZ2 3.46Å; I173-W235 HydrophobicContact CG1-CZ3 3.56Å; I228-W235 WeakPolarHBondContact O-CB 3.38Å; I228-W235 PolarHBondContact O-N 3.23Å; K230-W235 HydrophobicContact CD-CZ2 3.95Å; K230-W235 HydrophobicContact CG-CZ2 4.32Å
236I96.3Very high94.5Very high6 Ų657.8 Ų57.83%0.03128%0.284CS..SBendtrans-132.4152-179.559146.3000110.1M87 I102 E118 Y121 L123 I228 P234 L238M87-I236 HydrophobicContact CE-CD1 3.51Å; M87-I236 HydrophobicContact CE-CG1 4.1Å; M87-I236 HydrophobicContact CE-CG2 3.96Å; M87-I236 HydrophobicContact SD-CD1 3.92Å; I102-I236 HydrophobicContact CD1-CD1 3.78Å; E118-I236 WeakPolarHBondContact OE1-CA 3.38Å; Y121-I236 HydrophobicContact CE2-CG2 4.4Å; L123-I236 HydrophobicContact CD1-CG2 3.7Å; L123-I236 HydrophobicContact CG-CG2 3.83Å; I228-I236 HydrophobicContact CB-CG1 4.4Å; P234-I236 WeakPolarHBondContact CB-O 3.38Å; I236-L238 HydrophobicContact CD1-CD2 4.27Å; I236-L238 HydrophobicContact CG1-CD2 4.24Å
237S96.2Very high94.4Very high39 Ų3961.3 Ų61.327%0.27331%0.306SS..PPolyproline II helixtrans-66.4134.6168.459.20000110I102 H112 E118I102-S237 WeakPolarHBondContact CD1-O 3.34Å; H112-S237 WeakPolarHBondContact NE2-CB 3.43Å; H112-S237 PolarHBondContact NE2-O 3.47Å; H112-S237 PolarHBondContact NE2-OG 2.82Å; E118-S237 VanDerWaalsContact CD-OG 3.22Å; E118-S237 PolarHBondContact OE1-N 3.21Å; E118-S237 PolarHBondContact OE1-OG 2.79Å; E118-S237 VanDerWaalsContact OE2-CB 3.23Å; E118-S237 WeakPolarHBondContact OE2-CB 3.49Å; E118-S237 PolarHBondContact OE2-OG 2.72Å
238L95Very high94.3Very high42 Ų4268.6 Ų68.622%0.2234%0.343CS..PPolyproline II helixtrans-93.6144.8-176.5-60-175.3000110.8H112 I192 I228 P234 I236 K242H112-L238 PolarHBondContact CE1-O 3.48Å; I192-L238 HydrophobicContact CD1-CD1 3.82Å; I192-L238 HydrophobicContact CD1-CD2 3.56Å; I192-L238 HydrophobicContact CD1-CG 4.16Å; I228-L238 HydrophobicContact CD1-CD2 3.92Å; P234-L238 HydrophobicContact CB-CD1 4.36Å; P234-L238 HydrophobicContact CB-CD2 4.04Å; P234-L238 HydrophobicContact CB-CG 4.18Å; P234-L238 HydrophobicContact CG-CD1 4.11Å; P234-L238 HydrophobicContact CG-CG 4.09Å; I236-L238 HydrophobicContact CD1-CD2 4.27Å; I236-L238 HydrophobicContact CG1-CD2 4.24Å; L238-K242 HydrophobicContact CD1-CB 4.34Å
239P93.9Very high94.2Very high9 Ų971 Ų716%0.05836%0.363CS..PPolyproline II helixtrans-66.2165.6174.929.4-35.6000111.4I102 A110 G241 K242I102-P239 HydrophobicContact CG2-CG 3.97Å; A110-P239 HydrophobicContact CB-CB 4.43Å; P239-G241 PolarHBondContact O-N 3.34Å; P239-K242 PolarHBondContact O-N 2.93Å
240R91Very high94.1Very high233 Ų23375.3 Ų75.388%0.87938%0.383SS*.THydrogen-bonded Turntrans-50.1131.6176.4-173.5179.5-178-171.51.6110.8
241G91.1Very high94.1Very high40 Ų4073.7 Ų73.741%0.41238%0.377SS..THydrogen-bonded Turntrans90.1-2.8-17700000114.6P239 G243 I244P239-G241 PolarHBondContact O-N 3.34Å; G241-G243 PolarHBondContact O-N 3.12Å; G241-I244 WeakPolarHBondContact O-CB 3.45Å; G241-I244 PolarHBondContact O-N 2.91Å
242K93.7Very high94.2Very high147 Ų14778.3 Ų78.364%0.63939%0.385SS*.THydrogen-bonded Turntrans51.829.6171.4-58.3-177.9-179.8179.50114.2L238 P239 I244L238-K242 HydrophobicContact CD1-CB 4.34Å; P239-K242 PolarHBondContact O-N 2.93Å; K242-I244 VanDerWaalsContact C-N 3.28Å; K242-I244 PolarHBondContact O-N 2.82Å
243G92.9Very high94.5Very high2 Ų275.7 Ų75.72%0.02137%0.37CS..THydrogen-bonded Turntrans73.711.6-178.900000115.6T105 R191 I192 G241T105-G243 VanDerWaalsContact CG2-CA 3.48Å; R191-G243 VanDerWaalsContact CA-O 3.29Å; R191-G243 WeakPolarHBondContact CA-O 3.33Å; I192-G243 PolarHBondContact N-O 3.11Å; I192-G243 VanDerWaalsContact N-O 3.08Å; G241-G243 PolarHBondContact O-N 3.12Å
244I95Very high94.4Very high37 Ų3773.8 Ų73.819%0.1936%0.362CS..  trans-85.2115.8176.2-60169.9000109T105 A213 N214 G241 K242 L246T105-I244 WeakPolarHBondContact CG2-O 3.48Å; A213-I244 HydrophobicContact CB-CD1 4.33Å; N214-I244 WeakPolarHBondContact ND2-CG2 3.47Å; G241-I244 WeakPolarHBondContact O-CB 3.45Å; G241-I244 PolarHBondContact O-N 2.91Å; K242-I244 VanDerWaalsContact C-N 3.28Å; K242-I244 PolarHBondContact O-N 2.82Å; I244-L246 HydrophobicContact CG2-CD2 4.2Å; I244-L246 PolarHBondContact O-N 3.21Å
245R94.2Very high94.2Very high97 Ų9780 Ų8037%0.36638%0.381SS..  trans-9098.3176.9-176.4159.563.191-5109.4T105 N188 R191T105-R245 WeakPolarHBondContact O-CD 3.34Å; N188-R245 PolarHBondContact OD1-NH2 2.79Å; R191-R245 HydrophobicContact CG-CB 3.98Å
246L93.4Very high94.1Very high49 Ų4982 Ų8226%0.25739%0.394SS..  trans-62.3153.1173-61.3178.8000110.9I244 E250 E251 K254I244-L246 HydrophobicContact CG2-CD2 4.2Å; I244-L246 PolarHBondContact O-N 3.21Å; L246-E250 VanDerWaalsContact CA-OE2 3.31Å; L246-E250 WeakPolarHBondContact CA-OE2 2.93Å; L246-E250 HydrophobicContact CB-CB 3.99Å; L246-E250 WeakPolarHBondContact CB-OE2 3.43Å; L246-E250 WeakPolarHBondContact CD2-OE2 3.06Å; L246-E251 HydrophobicContact CB-CG 3.96Å; L246-K254 HydrophobicContact CD1-CD 4.16Å
247T94.8Very high94Very high78 Ų7884.2 Ų84.248%0.47941%0.413SS..  trans-70163.7172.669.60000110.8A249 E250 E251T247-A249 PolarHBondContact O-N 3.32Å; T247-E250 PolarHBondContact N-OE2 3.45Å; T247-E250 PolarHBondContact O-N 3.03Å; T247-E250 VanDerWaalsContact OG1-CG 3.3Å; T247-E250 WeakPolarHBondContact OG1-CG 3.49Å; T247-E250 PolarHBondContact OG1-N 3.45Å; T247-E250 PolarHBondContact OG1-OE2 3.37Å; T247-E251 PolarHBondContact O-N 2.93Å
248I95.4Very high93.8Very high153 Ų15385 Ų8579%0.78542%0.422SS*.Hα-helixtrans-60.8-36.3-180-60.8171.2000110.9R252I248-R252 WeakPolarHBondContact O-CB 3.23Å; I248-R252 PolarHBondContact O-N 3.27Å
249A96Very high93.6Very high50 Ų5090.8 Ų90.841%0.41345%0.445SS..Hα-helixtrans-65.4-50.4176.400000111.3T247 E251 R252 D253T247-A249 PolarHBondContact O-N 3.32Å; A249-E251 VanDerWaalsContact C-N 3.33Å; A249-E251 PolarHBondContact O-N 2.71Å; A249-R252 WeakPolarHBondContact O-CB 3.39Å; A249-R252 PolarHBondContact O-N 3.33Å; A249-R252 VanDerWaalsContact O-N 3.08Å; A249-D253 VanDerWaalsContact O-CG 3.23Å; A249-D253 PolarHBondContact O-N 3Å
250E94.2Very high93.4Very high90 Ų9097.6 Ų97.642%0.42148%0.476SS..Hα-helixtrans-60.9-40.1177.3-69.6167.9167.800112.4L246 T247 R252 D253 K254L246-E250 VanDerWaalsContact CA-OE2 3.31Å; L246-E250 WeakPolarHBondContact CA-OE2 2.93Å; L246-E250 HydrophobicContact CB-CB 3.99Å; L246-E250 WeakPolarHBondContact CB-OE2 3.43Å; L246-E250 WeakPolarHBondContact CD2-OE2 3.06Å; T247-E250 PolarHBondContact N-OE2 3.45Å; T247-E250 PolarHBondContact O-N 3.03Å; T247-E250 VanDerWaalsContact OG1-CG 3.3Å; T247-E250 WeakPolarHBondContact OG1-CG 3.49Å; T247-E250 PolarHBondContact OG1-N 3.45Å; T247-E250 PolarHBondContact OG1-OE2 3.37Å; E250-R252 VanDerWaalsContact C-N 3.33Å; E250-R252 PolarHBondContact O-N 3.19Å; E250-D253 PolarHBondContact O-N 2.61Å; E250-K254 VanDerWaalsContact O-CB 3.27Å; E250-K254 WeakPolarHBondContact O-CB 3.15Å; E250-K254 PolarHBondContact O-N 3.35Å
251E93.3Very high93.1Very high65 Ų6591.2 Ų91.230%0.30447%0.467SS..Hα-helixtrans-62.4-40.4174.3-76.4-160.1168.600111.9K106 L246 T247 A249 R255K106-E251 WeakPolarHBondContact CE-OE1 3.41Å; K106-E251 WeakPolarHBondContact CE-OE2 3.38Å; K106-E251 IonicContact NZ-OE1 2.93Å; K106-E251 PolarHBondContact NZ-OE1 3.43Å; K106-E251 IonicContact NZ-OE2 3.01Å; K106-E251 PolarHBondContact NZ-OE2 3.46Å; L246-E251 HydrophobicContact CB-CG 3.96Å; T247-E251 PolarHBondContact O-N 2.93Å; A249-E251 VanDerWaalsContact C-N 3.33Å; A249-E251 PolarHBondContact O-N 2.71Å; E251-R255 WeakPolarHBondContact O-CB 3.41Å; E251-R255 PolarHBondContact O-N 3.31Å
252R94.5Very high92.2Very high129 Ų12993.9 Ų93.949%0.48748%0.479SS..Hα-helixtrans-63.2-50.1177.6178.4-164.268.9-172.6-2110.4I248 A249 E250 R255 L256I248-R252 WeakPolarHBondContact O-CB 3.23Å; I248-R252 PolarHBondContact O-N 3.27Å; A249-R252 WeakPolarHBondContact O-CB 3.39Å; A249-R252 PolarHBondContact O-N 3.33Å; A249-R252 VanDerWaalsContact O-N 3.08Å; E250-R252 VanDerWaalsContact C-N 3.33Å; E250-R252 PolarHBondContact O-N 3.19Å; R252-R255 WeakPolarHBondContact O-CB 3.32Å; R252-R255 PolarHBondContact O-N 3.48Å; R252-R255 VanDerWaalsContact O-N 3.12Å; R252-L256 HydrophobicContact CG-CD1 4.23Å; R252-L256 WeakPolarHBondContact O-CG 3.49Å; R252-L256 PolarHBondContact O-N 3.12Å
253D95.3Very high90.4Very high78 Ų7892.6 Ų92.642%0.41751%0.508SS..Hα-helixtrans-66.2-42.7-174.3-59.8-15.4000110.2A249 E250 R255 L256 A257A249-D253 VanDerWaalsContact O-CG 3.23Å; A249-D253 PolarHBondContact O-N 3Å; E250-D253 PolarHBondContact O-N 2.61Å; D253-R255 VanDerWaalsContact C-N 3.29Å; D253-R255 PolarHBondContact O-N 3.24Å; D253-L256 PolarHBondContact O-N 3.34Å; D253-A257 WeakPolarHBondContact O-CB 3.44Å; D253-A257 PolarHBondContact O-N 2.92Å
254K92.5Very high90.3Very high123 Ų12397.2 Ų97.254%0.53553%0.533SS..Hα-helixtrans-58.6-38.6172-175.7174.9-175.1168.90113.1L246 E250 A258L246-K254 HydrophobicContact CD1-CD 4.16Å; E250-K254 VanDerWaalsContact O-CB 3.27Å; E250-K254 WeakPolarHBondContact O-CB 3.15Å; E250-K254 PolarHBondContact O-N 3.35Å; K254-A258 WeakPolarHBondContact O-CB 3.47Å; K254-A258 PolarHBondContact O-N 3.4Å; K254-A258 VanDerWaalsContact O-N 3.08Å
255R92.4Very high90Very high172 Ų172100.3 Ų100.365%0.64955%0.551SS**Hα-helixtrans-68.9-41.8178.6-178.7-176.165.8177.50.2111.8E251 R252 D253 K259E251-R255 WeakPolarHBondContact O-CB 3.41Å; E251-R255 PolarHBondContact O-N 3.31Å; R252-R255 WeakPolarHBondContact O-CB 3.32Å; R252-R255 PolarHBondContact O-N 3.48Å; R252-R255 VanDerWaalsContact O-N 3.12Å; D253-R255 VanDerWaalsContact C-N 3.29Å; D253-R255 PolarHBondContact O-N 3.24Å; R255-K259 PolarHBondContact O-N 3.39Å; R255-K259 VanDerWaalsContact O-N 3.15Å
256L94.1Very high89.8Confident83 Ų83100.5 Ų100.544%0.43556%0.561SS.*Hα-helixtrans-64.9-46.5177.6-69.2174000110.8R252 D253 A258 K259 Q260R252-L256 HydrophobicContact CG-CD1 4.23Å; R252-L256 WeakPolarHBondContact O-CG 3.49Å; R252-L256 PolarHBondContact O-N 3.12Å; D253-L256 PolarHBondContact O-N 3.34Å; L256-A258 PolarHBondContact O-N 3.48Å; L256-K259 PolarHBondContact O-N 2.76Å; L256-Q260 WeakPolarHBondContact O-CG 3.35Å; L256-Q260 PolarHBondContact O-N 3.08Å
257A94.4Very high89.6Confident53 Ų53103.5 Ų103.544%0.43858%0.579SS.*Hα-helixtrans-57.6-46.4176.300000112D253 K259 Q260 S261D253-A257 WeakPolarHBondContact O-CB 3.44Å; D253-A257 PolarHBondContact O-N 2.92Å; A257-K259 VanDerWaalsContact C-N 3.33Å; A257-K259 PolarHBondContact O-N 3.35Å; A257-Q260 PolarHBondContact O-N 3.14Å; A257-S261 PolarHBondContact O-N 3.14Å; A257-S261 PolarHBondContact O-OG 3.24Å
258A92.2Very high89.2Confident55 Ų55105.1 Ų105.146%0.45559%0.585SS.*Hα-helixtrans-62.8-37.6178.900000113.1K254 L256 S261 S262K254-A258 WeakPolarHBondContact O-CB 3.47Å; K254-A258 PolarHBondContact O-N 3.4Å; K254-A258 VanDerWaalsContact O-N 3.08Å; L256-A258 PolarHBondContact O-N 3.48Å; A258-S261 WeakPolarHBondContact CA-OG 3.37Å; A258-S261 PolarHBondContact O-OG 3.09Å; A258-S262 WeakPolarHBondContact O-CB 3.32Å; A258-S262 PolarHBondContact O-N 3.26Å; A258-S262 PolarHBondContact O-OG 2.78Å; A258-S262 VanDerWaalsContact O-OG 3.06Å
259K91.3Very high88.8Confident164 Ų164101.9 Ų101.971%0.71357%0.572SS**Hα-helixtrans-70.8-40.1178.8-170.9177.1-179.9-175.10111.6R255 L256 A257 S262 G263R255-K259 PolarHBondContact O-N 3.39Å; R255-K259 VanDerWaalsContact O-N 3.15Å; L256-K259 PolarHBondContact O-N 2.76Å; A257-K259 VanDerWaalsContact C-N 3.33Å; A257-K259 PolarHBondContact O-N 3.35Å; K259-S262 PolarHBondContact O-N 2.94Å; K259-S262 PolarHBondContact O-OG 3.26Å; K259-G263 PolarHBondContact O-N 3.38Å
260Q89.8Confident88.3Confident152 Ų152105.6 Ų105.671%0.7158%0.583SS**Hα-helixtrans-67.3-36.5176.9-73.2173.3-12.800112.1L256 A257 S262L256-Q260 WeakPolarHBondContact O-CG 3.35Å; L256-Q260 PolarHBondContact O-N 3.08Å; A257-Q260 PolarHBondContact O-N 3.14Å; Q260-S262 PolarHBondContact O-N 3.48Å
261S83.9Confident87.9Confident98 Ų98106.8 Ų106.869%0.68560%0.596SS**THydrogen-bonded Turntrans-73.4-13.717759.60000114.6A257 A258A257-S261 PolarHBondContact O-N 3.14Å; A257-S261 PolarHBondContact O-OG 3.24Å; A258-S261 WeakPolarHBondContact CA-OG 3.37Å; A258-S261 PolarHBondContact O-OG 3.09Å
262S73.4Confident87.4Confident96 Ų96110.3 Ų110.367%0.67162%0.62SS**THydrogen-bonded Turntrans-106.1-0.8-175.861.30000114.2A258 K259 Q260A258-S262 WeakPolarHBondContact O-CB 3.32Å; A258-S262 PolarHBondContact O-N 3.26Å; A258-S262 PolarHBondContact O-OG 2.78Å; A258-S262 VanDerWaalsContact O-OG 3.06Å; K259-S262 PolarHBondContact O-N 2.94Å; K259-S262 PolarHBondContact O-OG 3.26Å; Q260-S262 PolarHBondContact O-N 3.48Å
263G55Low86.8Confident121 Ų121108.6 Ų108.6100%1.24763%0.632SS**  trans-107.20172.100000109.5K259K259-G263 PolarHBondContact O-N 3.38Å

Retrieved 263 of 263 residues in 301.2 ms (Link to these results)

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