A0A087WPC2_MOUSE Loading...

Mitochondrial amidoxime reducing component 1

AlphaFold DB , UniProt , Accession A0A087WPC2, Species MOUSE (Mus musculus, Mouse), Gene Mtarc1, Length 235 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
1M89.1Confident93.7Very high113 Ų11358.1 Ų58.156%0.55729%0.289SS*.  0135.90-178.4169.6-84.600108.2R48 V49 Y105M1-R48 WeakPolarHBondContact CB-O 3.25Å; M1-V49 HydrophobicContact CE-CG2 3.23Å; M1-V49 HydrophobicContact SD-CB 4.16Å; M1-V49 HydrophobicContact SD-CG1 3.82Å; M1-V49 HydrophobicContact SD-CG2 3.41Å; M1-V49 WeakPolarHBondContact SD-CG2 3.17Å; M1-Y105 HydrophobicContact CE-CD1 3.95Å; M1-Y105 HydrophobicContact CE-CG 4.25Å
2V92.4Very high94Very high52 Ų5257.4 Ų57.432%0.31529%0.287SS..  trans-84.8130.7175.1-169.50000108E7 L10 M73V2-E7 HydrophobicContact CG1-CB 3.76Å; V2-L10 HydrophobicContact CB-CD1 4.18Å; V2-L10 HydrophobicContact CG1-CD1 3.71Å; V2-M73 HydrophobicContact CG1-CE 3.91Å; V2-M73 HydrophobicContact CG1-SD 3.99Å; V2-M73 HydrophobicContact CG2-CE 3.75Å
3T92.6Very high94.2Very high36 Ų3655.8 Ų55.822%0.22128%0.279CS..  trans-114152.2177.366.10000110.3R5 Q6 E7 L10T3-R5 PolarHBondContact O-N 3.3Å; T3-R5 VanDerWaalsContact O-N 3.08Å; T3-Q6 WeakPolarHBondContact O-CA 3.4Å; T3-Q6 WeakPolarHBondContact O-CB 3.04Å; T3-Q6 PolarHBondContact O-N 3.47Å; T3-Q6 PolarHBondContact OG1-OE1 3.43Å; T3-Q6 VanDerWaalsContact OG1-OE1 3.11Å; T3-E7 PolarHBondContact O-N 3.04Å; T3-L10 VanDerWaalsContact C-CD1 3.46Å
4A93.6Very high94.3Very high13 Ų1356.3 Ų56.311%0.10729%0.29CS..THydrogen-bonded Turntrans-65.9-10175.600000113.5E7 P8 L10 V11 L173A4-E7 WeakPolarHBondContact CA-O 3.49Å; A4-P8 WeakPolarHBondContact O-CA 3.18Å; A4-L10 HydrophobicContact CB-CB 4.07Å; A4-L10 HydrophobicContact CB-CD1 4.47Å; A4-V11 HydrophobicContact CB-CG1 3.92Å; A4-L173 HydrophobicContact CB-CD1 3.35Å; A4-L173 HydrophobicContact CB-CD2 4.35Å
5R91.2Very high94.3Very high75 Ų7559.5 Ų59.528%0.28331%0.307SS..THydrogen-bonded Turntrans-70.5-33166.7-68.7-178.6-72.7-98.9-6.2112.2T3 H50 D107 L173T3-R5 PolarHBondContact O-N 3.3Å; T3-R5 VanDerWaalsContact O-N 3.08Å; R5-H50 PolarHBondContact NH2-CE1 3.11Å; R5-D107 IonicContact NH1-OD2 3.4Å; R5-D107 PolarHBondContact NH1-OD2 2.75Å; R5-L173 HydrophobicContact CG-CB 3.88Å
6Q91.6Very high94.3Very high139 Ų13960.2 Ų60.265%0.6532%0.315SS*.THydrogen-bonded Turntrans-92.4-43.2-178.9-67.7164.3-45.100111.3T3T3-Q6 WeakPolarHBondContact O-CA 3.4Å; T3-Q6 WeakPolarHBondContact O-CB 3.04Å; T3-Q6 PolarHBondContact O-N 3.47Å; T3-Q6 PolarHBondContact OG1-OE1 3.43Å; T3-Q6 VanDerWaalsContact OG1-OE1 3.11Å
7E95.5Very high94.3Very high29 Ų2960.5 Ų60.514%0.13632%0.322CS..  trans-126.686.7178178.649.4-104.500109.7V2 T3 A4 R9 L10 L71 M73V2-E7 HydrophobicContact CG1-CB 3.76Å; T3-E7 PolarHBondContact O-N 3.04Å; A4-E7 WeakPolarHBondContact CA-O 3.49Å; E7-R9 VanDerWaalsContact CD-NH2 3.27Å; E7-R9 PolarHBondContact O-N 2.64Å; E7-R9 VanDerWaalsContact O-N 3.17Å; E7-R9 VanDerWaalsContact OE1-CB 3.25Å; E7-R9 WeakPolarHBondContact OE1-CB 3.37Å; E7-R9 WeakPolarHBondContact OE1-CG 3.4Å; E7-R9 IonicContact OE1-CZ 2.66Å; E7-R9 PolarHBondContact OE1-N 2.85Å; E7-R9 VanDerWaalsContact OE1-N 3.13Å; E7-R9 IonicContact OE1-NE 2.59Å; E7-R9 PolarHBondContact OE1-NE 3.35Å; E7-R9 IonicContact OE1-NH2 3.31Å; E7-R9 PolarHBondContact OE1-NH2 3.2Å; E7-R9 IonicContact OE2-CZ 3.46Å; E7-R9 IonicContact OE2-NE 3.56Å; E7-R9 IonicContact OE2-NH2 3.45Å; E7-R9 PolarHBondContact OE2-NH2 3.49Å; E7-L10 HydrophobicContact CB-CD1 4.44Å; E7-L10 HydrophobicContact CG-CG 4.44Å; E7-L10 WeakPolarHBondContact O-CB 3.45Å; E7-L10 WeakPolarHBondContact O-CG 3.36Å; E7-L10 PolarHBondContact O-N 2.94Å; E7-L10 VanDerWaalsContact O-N 3.13Å; E7-L71 HydrophobicContact CG-CB 4.44Å; E7-L71 HydrophobicContact CG-CD1 4.48Å; E7-L71 HydrophobicContact CG-CD2 3.88Å; E7-L71 HydrophobicContact CG-CG 4.49Å; E7-M73 HydrophobicContact CB-SD 4.06Å; E7-M73 HydrophobicContact CG-SD 3.86Å
8P96.1Very high94.2Very high29 Ų2965.5 Ų65.519%0.18834%0.344CS..G310 helixtrans-55.9-28.4-177.6-32.140.1000115.1A4 L10 V11 V176 G181A4-P8 WeakPolarHBondContact O-CA 3.18Å; P8-L10 PolarHBondContact O-N 3.31Å; P8-V11 VanDerWaalsContact O-CG2 3.29Å; P8-V11 WeakPolarHBondContact O-CG2 3.47Å; P8-V11 PolarHBondContact O-N 2.73Å; P8-V11 VanDerWaalsContact O-N 3.08Å; P8-V176 HydrophobicContact CB-CG1 3.85Å; P8-V176 HydrophobicContact CB-CG2 4.07Å; P8-V176 HydrophobicContact CG-CG2 4.31Å; P8-G181 WeakPolarHBondContact CB-O 3.45Å
9R96.1Very high94Very high73 Ų7370.3 Ų70.328%0.27537%0.37SS..G310 helixtrans-62.2-14.8178.6-66.1174.6-71.2157-6113.2E7 V11 L12 F70 L71E7-R9 VanDerWaalsContact CD-NH2 3.27Å; E7-R9 PolarHBondContact O-N 2.64Å; E7-R9 VanDerWaalsContact O-N 3.17Å; E7-R9 VanDerWaalsContact OE1-CB 3.25Å; E7-R9 WeakPolarHBondContact OE1-CB 3.37Å; E7-R9 WeakPolarHBondContact OE1-CG 3.4Å; E7-R9 IonicContact OE1-CZ 2.66Å; E7-R9 PolarHBondContact OE1-N 2.85Å; E7-R9 VanDerWaalsContact OE1-N 3.13Å; E7-R9 IonicContact OE1-NE 2.59Å; E7-R9 PolarHBondContact OE1-NE 3.35Å; E7-R9 IonicContact OE1-NH2 3.31Å; E7-R9 PolarHBondContact OE1-NH2 3.2Å; E7-R9 IonicContact OE2-CZ 3.46Å; E7-R9 IonicContact OE2-NE 3.56Å; E7-R9 IonicContact OE2-NH2 3.45Å; E7-R9 PolarHBondContact OE2-NH2 3.49Å; R9-V11 PolarHBondContact O-N 3.25Å; R9-V11 VanDerWaalsContact O-N 3.14Å; R9-L12 HydrophobicContact CB-CD1 4.31Å; R9-L12 HydrophobicContact CG-CD1 4.29Å; R9-L12 VanDerWaalsContact O-CB 3.27Å; R9-L12 WeakPolarHBondContact O-CB 3.36Å; R9-L12 PolarHBondContact O-N 2.87Å; R9-F70 HydrophobicContact CB-CE1 4.38Å; R9-F70 PolarHBondContact NH1-O 2.98Å; R9-F70 WeakPolarHBondContact O-CE1 3.5Å; R9-L71 HydrophobicContact CB-CD2 4.07Å; R9-L71 VanDerWaalsContact CZ-O 3.22Å; R9-L71 PolarHBondContact NH1-O 3.36Å; R9-L71 VanDerWaalsContact NH1-O 3.17Å; R9-L71 PolarHBondContact NH2-O 3.07Å
10L96.3Very high93.8Very high47 Ų4772.9 Ų72.925%0.24638%0.384CS..G310 helixtrans-52.6-30.9170.1-82171.4000113.3V2 T3 A4 E7 P8 L12 I13 L71V2-L10 HydrophobicContact CB-CD1 4.18Å; V2-L10 HydrophobicContact CG1-CD1 3.71Å; T3-L10 VanDerWaalsContact C-CD1 3.46Å; A4-L10 HydrophobicContact CB-CB 4.07Å; A4-L10 HydrophobicContact CB-CD1 4.47Å; E7-L10 HydrophobicContact CB-CD1 4.44Å; E7-L10 HydrophobicContact CG-CG 4.44Å; E7-L10 WeakPolarHBondContact O-CB 3.45Å; E7-L10 WeakPolarHBondContact O-CG 3.36Å; E7-L10 PolarHBondContact O-N 2.94Å; E7-L10 VanDerWaalsContact O-N 3.13Å; P8-L10 PolarHBondContact O-N 3.31Å; L10-L12 PolarHBondContact O-N 3.33Å; L10-I13 HydrophobicContact CD2-CD1 4.08Å; L10-I13 PolarHBondContact O-N 3.24Å; L10-L71 HydrophobicContact CD2-CD1 3.59Å; L10-L71 HydrophobicContact CD2-CD2 4.24Å; L10-L71 HydrophobicContact CG-CD1 4.15Å; L10-L71 HydrophobicContact CG-CD2 4.28Å
11V96.4Very high93.9Very high33 Ų3372 Ų7220%0.238%0.381CS..G310 helixtrans-70-16179-51.70000113.3A4 P8 R9 I13 V176A4-V11 HydrophobicContact CB-CG1 3.92Å; P8-V11 VanDerWaalsContact O-CG2 3.29Å; P8-V11 WeakPolarHBondContact O-CG2 3.47Å; P8-V11 PolarHBondContact O-N 2.73Å; P8-V11 VanDerWaalsContact O-N 3.08Å; R9-V11 PolarHBondContact O-N 3.25Å; R9-V11 VanDerWaalsContact O-N 3.14Å; V11-I13 VanDerWaalsContact C-N 3.33Å; V11-V176 HydrophobicContact CG1-CG1 3.9Å; V11-V176 HydrophobicContact CG2-CG1 3.85Å
12L97.3Very high94.2Very high50 Ų5068 Ų6826%0.26236%0.362SS..G310 helixtrans-86.8-6.9-180-58.4177.5000112.9R9 L10 S14 F70 D179R9-L12 HydrophobicContact CB-CD1 4.31Å; R9-L12 HydrophobicContact CG-CD1 4.29Å; R9-L12 VanDerWaalsContact O-CB 3.27Å; R9-L12 WeakPolarHBondContact O-CB 3.36Å; R9-L12 PolarHBondContact O-N 2.87Å; L10-L12 PolarHBondContact O-N 3.33Å; L12-S14 PolarHBondContact O-N 3.13Å; L12-F70 HydrophobicContact CB-CE1 4.26Å; L12-F70 HydrophobicContact CB-CZ 3.8Å; L12-F70 HydrophobicContact CD1-CZ 4.39Å; L12-D179 WeakPolarHBondContact CD2-O 3.46Å
13I96.9Very high94.4Very high37 Ų3766.7 Ų66.719%0.1936%0.355CS..  trans-82.3111.5171.4-58.4172.1000106.9L10 V11 L24 W66 F70 L71L10-I13 HydrophobicContact CD2-CD1 4.08Å; L10-I13 PolarHBondContact O-N 3.24Å; V11-I13 VanDerWaalsContact C-N 3.33Å; I13-L24 HydrophobicContact CG2-CD2 4.05Å; I13-W66 HydrophobicContact CD1-CZ3 4.04Å; I13-W66 HydrophobicContact CG1-CH2 4.21Å; I13-W66 HydrophobicContact CG1-CZ3 4Å; I13-W66 HydrophobicContact CG2-CH2 3.88Å; I13-W66 HydrophobicContact CG2-CZ3 3.79Å; I13-F70 HydrophobicContact CD1-CD1 3.91Å; I13-F70 HydrophobicContact CD1-CE1 4.22Å; I13-F70 HydrophobicContact CG1-CD1 3.65Å; I13-F70 HydrophobicContact CG1-CE1 3.58Å; I13-L71 HydrophobicContact CD1-CD2 4.33Å
14S95.1Very high94.7Very high62 Ų6265.3 Ų65.343%0.43435%0.346SS..EExtended strand (participates in β ladder)trans-90.2148.6170.462.70000110.3L12 L24 S25L12-S14 PolarHBondContact O-N 3.13Å; S14-L24 WeakPolarHBondContact O-CA 3.21Å; S14-S25 PolarHBondContact N-O 3.42Å; S14-S25 PolarHBondContact O-N 2.9Å; S14-S25 WeakPolarHBondContact OG-CB 3.4Å; S14-S25 PolarHBondContact OG-O 2.66Å
15L94.1Very high94.9Very high104 Ų10465.7 Ų65.755%0.54535%0.348SS..EExtended strand (participates in β ladder)trans-132.3122.9180-175.3158.7000107.9L22 T23 L24L15-L22 HydrophobicContact CD1-CD1 3.72Å; L15-L22 HydrophobicContact CD1-CD2 4.09Å; L15-L22 HydrophobicContact CD1-CG 4.07Å; L15-L22 HydrophobicContact CD2-CD1 4.02Å; L15-L22 HydrophobicContact CD2-CG 4.09Å; L15-L22 HydrophobicContact CG-CD1 4.01Å; L15-L22 HydrophobicContact CG-CD2 4.11Å; L15-L22 HydrophobicContact CG-CG 3.89Å; L15-T23 WeakPolarHBondContact CA-O 3.24Å; L15-L24 HydrophobicContact CB-CD2 4.16Å; L15-L24 HydrophobicContact CD1-CD2 3.94Å; L15-L24 HydrophobicContact CG-CD2 4.1Å
16T95.3Very high95.2Very high71 Ų7162.7 Ų62.744%0.43634%0.338SS..EExtended strand (participates in β ladder)trans-116.9154.8168.259.20000109.2L22 T23T16-L22 WeakPolarHBondContact O-CA 3.49Å; T16-T23 PolarHBondContact N-O 2.75Å; T16-T23 PolarHBondContact O-N 3.32Å
17C93.1Very high95.2Very high65 Ų6559.4 Ų59.444%0.43934%0.335SS..EExtended strand (participates in β ladder)trans-133.2119.8177-168.70000107.6T21C17-T21 WeakPolarHBondContact CA-O 3.31Å
18E93.3Very high95.1Very high151 Ų15169.7 Ų69.771%0.70638%0.375SS*.EExtended strand (participates in β ladder)trans-127.5125.2174.2-69.1-177-179.700107.2D20 T21E18-D20 PolarHBondContact O-N 3.45Å; E18-T21 PolarHBondContact N-O 2.99Å; E18-T21 PolarHBondContact O-N 3.27Å
19D89.7Confident95Very high156 Ų15670.2 Ų70.283%0.83438%0.378SS*.THydrogen-bonded Turntrans50.6-125-169.6-55-42.1000111.6
20D90.8Very high95.1Very high123 Ų12375.8 Ų75.866%0.65840%0.404SS*.THydrogen-bonded Turntrans-94.914177.9-69-46.9000113.2E18 I36E18-D20 PolarHBondContact O-N 3.45Å; D20-I36 HydrophobicContact CB-CG2 4.36Å; D20-I36 PolarHBondContact O-N 2.79Å
21T95.1Very high95.2Very high54 Ų5477.2 Ų77.233%0.33141%0.412SS..EExtended strand (participates in β ladder)trans-113.8124.5-176.6-54.50000111.7C17 E18 L33C17-T21 WeakPolarHBondContact CA-O 3.31Å; E18-T21 PolarHBondContact N-O 2.99Å; E18-T21 PolarHBondContact O-N 3.27Å; T21-L33 HydrophobicContact CG2-CB 4.01Å; T21-L33 HydrophobicContact CG2-CD2 4.15Å; T21-L33 HydrophobicContact CG2-CG 4.23Å
22L95.8Very high95.3Very high29 Ų2976.8 Ų76.815%0.15241%0.408CS..EExtended strand (participates in β ladder)trans-95.7126.6171.9-176.1148.1000109.2L15 T16 L24 L33 L34L15-L22 HydrophobicContact CD1-CD1 3.72Å; L15-L22 HydrophobicContact CD1-CD2 4.09Å; L15-L22 HydrophobicContact CD1-CG 4.07Å; L15-L22 HydrophobicContact CD2-CD1 4.02Å; L15-L22 HydrophobicContact CD2-CG 4.09Å; L15-L22 HydrophobicContact CG-CD1 4.01Å; L15-L22 HydrophobicContact CG-CD2 4.11Å; L15-L22 HydrophobicContact CG-CG 3.89Å; T16-L22 WeakPolarHBondContact O-CA 3.49Å; L22-L24 HydrophobicContact CD2-CD2 3.75Å; L22-L24 HydrophobicContact CD2-CG 3.74Å; L22-L33 CarbonylContact O-C 3.59Å; L22-L33 WeakPolarHBondContact O-CA 3.1Å; L22-L34 HydrophobicContact CD2-CB 4.41Å; L22-L34 HydrophobicContact CD2-CD1 4.28Å; L22-L34 PolarHBondContact N-O 3.03Å; L22-L34 PolarHBondContact O-N 3.06Å
23T97.4Very high95.3Very high25 Ų2579.8 Ų79.815%0.15342%0.424CS..EExtended strand (participates in β ladder)trans-109.1124.5175.2-560000109.6L15 T16 D31 L32L15-T23 WeakPolarHBondContact CA-O 3.24Å; T16-T23 PolarHBondContact N-O 2.75Å; T16-T23 PolarHBondContact O-N 3.32Å; T23-D31 HydrophobicContact CG2-CB 4.01Å; T23-L32 CarbonylContact C-O 3.5Å; T23-L32 WeakPolarHBondContact CA-O 3.23Å
24L97.7Very high95.2Very high7 Ų778.8 Ų78.84%0.03742%0.419CS..EExtended strand (participates in β ladder)trans-98.2122.3167.9-63.5179.5000109.4I13 S14 L15 L22 D31 L32 L34 W66 L78I13-L24 HydrophobicContact CG2-CD2 4.05Å; S14-L24 WeakPolarHBondContact O-CA 3.21Å; L15-L24 HydrophobicContact CB-CD2 4.16Å; L15-L24 HydrophobicContact CD1-CD2 3.94Å; L15-L24 HydrophobicContact CG-CD2 4.1Å; L22-L24 HydrophobicContact CD2-CD2 3.75Å; L22-L24 HydrophobicContact CD2-CG 3.74Å; L24-D31 WeakPolarHBondContact O-CA 3.32Å; L24-L32 HydrophobicContact CB-CB 4.41Å; L24-L32 HydrophobicContact CD1-CD2 4.37Å; L24-L32 PolarHBondContact N-O 3.14Å; L24-L32 PolarHBondContact O-N 3.07Å; L24-L34 HydrophobicContact CD1-CD1 4.09Å; L24-W66 HydrophobicContact CB-CD2 4.5Å; L24-W66 HydrophobicContact CB-CE3 4.3Å; L24-W66 HydrophobicContact CB-CH2 3.91Å; L24-W66 HydrophobicContact CB-CZ2 4.08Å; L24-W66 HydrophobicContact CB-CZ3 4.02Å; L24-W66 HydrophobicContact CD1-CE3 4.15Å; L24-W66 HydrophobicContact CD1-CZ3 4.28Å; L24-W66 WeakPolarHBondContact O-CZ2 3.39Å; L24-L78 HydrophobicContact CD1-CD2 3.87Å
25S97.8Very high95.2Very high21 Ų2179.2 Ų79.215%0.14742%0.42CS..EExtended strand (participates in β ladder)trans-127.8140.3179.9-480000110.4S14 D31S14-S25 PolarHBondContact N-O 3.42Å; S14-S25 PolarHBondContact O-N 2.9Å; S14-S25 WeakPolarHBondContact OG-CB 3.4Å; S14-S25 PolarHBondContact OG-O 2.66Å; S25-D31 VanDerWaalsContact CB-OD1 3.24Å; S25-D31 WeakPolarHBondContact CB-OD1 3.25Å; S25-D31 PolarHBondContact OG-OD1 3.17Å; S25-D31 PolarHBondContact OG-OD2 3.27Å
26A96.9Very high95.1Very high11 Ų1177.2 Ų77.29%0.09141%0.409CS..EExtended strand (participates in β ladder)trans-149.8151172.900000109.9Y28 T29 W66 F70A26-Y28 PolarHBondContact O-N 2.94Å; A26-T29 WeakPolarHBondContact O-CB 3.26Å; A26-T29 PolarHBondContact O-N 2.86Å; A26-T29 VanDerWaalsContact O-N 3.09Å; A26-W66 HydrophobicContact CB-CH2 3.78Å; A26-W66 HydrophobicContact CB-CZ2 4.03Å; A26-F70 HydrophobicContact CB-CD1 4.49Å; A26-F70 HydrophobicContact CB-CD2 3.71Å; A26-F70 HydrophobicContact CB-CE1 4.24Å; A26-F70 HydrophobicContact CB-CE2 3.42Å; A26-F70 VanDerWaalsContact CB-CE2 3.42Å; A26-F70 HydrophobicContact CB-CG 4.25Å; A26-F70 HydrophobicContact CB-CZ 3.71Å
27A93.3Very high94.9Very high71 Ų7178 Ų7859%0.58741%0.414SS*.THydrogen-bonded Turntrans-55.1136.3-176.800000112T29A27-T29 PolarHBondContact O-N 2.99Å; A27-T29 VanDerWaalsContact O-N 3.12Å; A27-T29 PolarHBondContact O-OG1 3.46Å
28Y92.8Very high95Very high244 Ų24475.1 Ų75.196%0.95740%0.395SS*.THydrogen-bonded Turntrans58.119.7-179.6-45.2-75.4000114.8A26A26-Y28 PolarHBondContact O-N 2.94Å
29T94.9Very high95.1Very high41 Ų4171 Ų7125%0.25238%0.38SS..EExtended strand (participates in β ladder)trans-122.1135.4176.9-51.30000108.1A26 A27 D31 W66 F70A26-T29 WeakPolarHBondContact O-CB 3.26Å; A26-T29 PolarHBondContact O-N 2.86Å; A26-T29 VanDerWaalsContact O-N 3.09Å; A27-T29 PolarHBondContact O-N 2.99Å; A27-T29 VanDerWaalsContact O-N 3.12Å; A27-T29 PolarHBondContact O-OG1 3.46Å; T29-D31 PolarHBondContact O-N 2.98Å; T29-W66 HydrophobicContact CG2-CZ2 3.91Å; T29-F70 WeakPolarHBondContact OG1-CD2 3.34Å
30K97.1Very high95.4Very high190 Ų19067.4 Ų67.483%0.82637%0.373SS*.EExtended strand (participates in β ladder)trans-63.9131.9174.6-176.9-177.6176.2-1750109W66K30-W66 PolarHBondContact O-NE1 2.9Å
31D98Very high95.7Very high77 Ų7767.7 Ų67.741%0.41238%0.379SS..EExtended strand (participates in β ladder)trans-56.6139176.8-70.98.4000111.4T23 L24 S25 T29T23-D31 HydrophobicContact CG2-CB 4.01Å; L24-D31 WeakPolarHBondContact O-CA 3.32Å; S25-D31 VanDerWaalsContact CB-OD1 3.24Å; S25-D31 WeakPolarHBondContact CB-OD1 3.25Å; S25-D31 PolarHBondContact OG-OD1 3.17Å; S25-D31 PolarHBondContact OG-OD2 3.27Å; T29-D31 PolarHBondContact O-N 2.98Å
32L98.1Very high95.8Very high23 Ų2366.6 Ų66.612%0.1237%0.371CS..EExtended strand (participates in β ladder)trans-109.3122.8176.3174.568.5000109.5T23 L24 L34 D62 A63 W66T23-L32 CarbonylContact C-O 3.5Å; T23-L32 WeakPolarHBondContact CA-O 3.23Å; L24-L32 HydrophobicContact CB-CB 4.41Å; L24-L32 HydrophobicContact CD1-CD2 4.37Å; L24-L32 PolarHBondContact N-O 3.14Å; L24-L32 PolarHBondContact O-N 3.07Å; L32-L34 HydrophobicContact CD1-CD2 4.29Å; L32-L34 HydrophobicContact CD2-CD1 3.94Å; L32-L34 HydrophobicContact CD2-CD2 4.03Å; L32-L34 HydrophobicContact CD2-CG 4Å; L32-L34 HydrophobicContact CG-CD1 4.39Å; L32-L34 HydrophobicContact CG-CD2 4.12Å; L32-L34 HydrophobicContact CG-CG 3.97Å; L32-D62 HydrophobicContact CD1-CB 4.02Å; L32-A63 HydrophobicContact CD2-CB 4.26Å; L32-W66 HydrophobicContact CB-CB 4.48Å; L32-W66 VanDerWaalsContact CB-CD1 3.49Å; L32-W66 HydrophobicContact CB-CD2 4.29Å; L32-W66 HydrophobicContact CB-CG 3.86Å; L32-W66 HydrophobicContact CD2-CB 3.62Å; L32-W66 HydrophobicContact CD2-CD2 4.48Å; L32-W66 HydrophobicContact CD2-CG 3.84Å; L32-W66 HydrophobicContact CG-CG 4.45Å
33L97.6Very high95.9Very high113 Ų11368.7 Ų68.759%0.59239%0.386SS*.EExtended strand (participates in β ladder)trans-97131.5174.6-69.674.6000108.8T21 L22T21-L33 HydrophobicContact CG2-CB 4.01Å; T21-L33 HydrophobicContact CG2-CD2 4.15Å; T21-L33 HydrophobicContact CG2-CG 4.23Å; L22-L33 CarbonylContact O-C 3.59Å; L22-L33 WeakPolarHBondContact O-CA 3.1Å
34L96.3Very high95.9Very high17 Ų1770.8 Ų70.89%0.08940%0.397CS..EExtended strand (participates in β ladder)trans-132.6149.7180-65.1172.1000109.4L22 L24 L32 A63 L78L22-L34 HydrophobicContact CD2-CB 4.41Å; L22-L34 HydrophobicContact CD2-CD1 4.28Å; L22-L34 PolarHBondContact N-O 3.03Å; L22-L34 PolarHBondContact O-N 3.06Å; L24-L34 HydrophobicContact CD1-CD1 4.09Å; L32-L34 HydrophobicContact CD1-CD2 4.29Å; L32-L34 HydrophobicContact CD2-CD1 3.94Å; L32-L34 HydrophobicContact CD2-CD2 4.03Å; L32-L34 HydrophobicContact CD2-CG 4Å; L32-L34 HydrophobicContact CG-CD1 4.39Å; L32-L34 HydrophobicContact CG-CD2 4.12Å; L32-L34 HydrophobicContact CG-CG 3.97Å; L34-A63 HydrophobicContact CD1-CB 3.8Å; L34-A63 HydrophobicContact CD2-CB 4.14Å; L34-L78 HydrophobicContact CD1-CD2 3.96Å
35P94.5Very high95.9Very high70 Ų7073 Ų7346%0.45541%0.408SS..EExtended strand (participates in β ladder)trans-64.8141.3165.930.3-34.5000109.7T37P35-T37 PolarHBondContact O-N 2.78Å
36I91.1Very high95.9Very high63 Ų6378.3 Ų78.332%0.32343%0.431SS..SBendtrans-58.6-36.4177.3-163.3178.6000111.6D20D20-I36 HydrophobicContact CB-CG2 4.36Å; D20-I36 PolarHBondContact O-N 2.79Å
37T92.7Very high95.9Very high88 Ų8879.1 Ų79.154%0.5444%0.435SS..SBendtrans-105.3111.7173.2-57.10000108.7P35P35-T37 PolarHBondContact O-N 2.78Å
38P94.6Very high96Very high4 Ų482.1 Ų82.13%0.02643%0.431CS..  trans-61.5152.7175.7-21.533000111.4A40 R57 C59 H80P38-A40 PolarHBondContact O-N 3.36Å; P38-R57 HydrophobicContact CB-CG 3.82Å; P38-R57 HydrophobicContact CG-CG 4.28Å; P38-C59 HydrophobicContact CG-CB 4.42Å; P38-H80 HydrophobicContact CG-CB 3.68Å
39P95.5Very high96.1Very high63 Ų6370.8 Ų70.841%0.40939%0.387SS..  trans-52.4133.2176.5-27.133.9000112.3T41 N42P39-T41 PolarHBondContact O-N 3.03Å; P39-N42 VanDerWaalsContact O-CB 3.29Å; P39-N42 WeakPolarHBondContact O-CB 3.43Å; P39-N42 PolarHBondContact O-N 3.21Å
40A95.1Very high95.9Very high81 Ų8172.9 Ų72.967%0.66939%0.394SS*.THydrogen-bonded Turntrans-61.1-18.3178.800000113.4P38 N42 R57P38-A40 PolarHBondContact O-N 3.36Å; A40-N42 VanDerWaalsContact C-N 3.32Å; A40-R57 PolarHBondContact O-NH1 2.65Å
41T96.6Very high95.6Very high130 Ų13066 Ų6680%0.79838%0.377SS*.THydrogen-bonded Turntrans-73.7-19.2173.551.20000113.5P39P39-T41 PolarHBondContact O-N 3.03Å
42N97.8Very high95.5Very high30 Ų3064.3 Ų64.316%0.1637%0.368CS..SBendtrans-65.6148177.7-71.66.6000110.2P39 A40 R57 D58P39-N42 VanDerWaalsContact O-CB 3.29Å; P39-N42 WeakPolarHBondContact O-CB 3.43Å; P39-N42 PolarHBondContact O-N 3.21Å; A40-N42 VanDerWaalsContact C-N 3.32Å; N42-R57 HydrophobicContact CB-CG 4.3Å; N42-R57 WeakPolarHBondContact O-CD 3.5Å; N42-R57 PolarHBondContact O-NH1 3Å; N42-D58 HydrophobicContact CB-CB 4.4Å; N42-D58 VanDerWaalsContact CB-O 3.22Å; N42-D58 WeakPolarHBondContact CB-O 3.3Å; N42-D58 PolarHBondContact ND2-O 3.29Å
43P97.8Very high95.4Very high73 Ų7369.4 Ų69.447%0.47439%0.391SS..PPolyproline II helixtrans-64.9148.6-17626.3-34.3000112.2L45 D58P43-L45 HydrophobicContact CB-CD2 4.33Å; P43-L45 HydrophobicContact CG-CD2 4.42Å; P43-D58 HydrophobicContact CG-CB 3.85Å; P43-D58 WeakPolarHBondContact O-CB 3.17Å; P43-D58 PolarHBondContact O-N 2.76Å
44L97.8Very high95.4Very high70 Ų7064.2 Ų64.237%0.36636%0.364SS..EExtended strand (participates in β ladder)trans-85.5122165.6-69.4-174.6000109.8R57 M85L44-R57 HydrophobicContact CD2-CB 4.17Å; L44-M85 HydrophobicContact CD2-CE 3.21Å; L44-M85 HydrophobicContact CG-CE 4.49Å
45L97.5Very high95.5Very high53 Ų5366.1 Ų66.128%0.27737%0.373SS..EExtended strand (participates in β ladder)trans-101.5133.7179.2-56.2-175.5000110.6P43 C47 Q55 G56 D58 R77 V79P43-L45 HydrophobicContact CB-CD2 4.33Å; P43-L45 HydrophobicContact CG-CD2 4.42Å; L45-C47 PolarHBondContact O-N 3.15Å; L45-Q55 WeakPolarHBondContact O-CA 3.48Å; L45-G56 PolarHBondContact N-O 3.26Å; L45-G56 PolarHBondContact O-N 3.46Å; L45-D58 HydrophobicContact CD1-CB 4.12Å; L45-D58 WeakPolarHBondContact CD1-OD2 3.4Å; L45-D58 HydrophobicContact CG-CB 4.24Å; L45-R77 HydrophobicContact CD1-CB 4.19Å; L45-R77 HydrophobicContact CD1-CG 4.2Å; L45-V79 HydrophobicContact CB-CG1 4.45Å; L45-V79 HydrophobicContact CD1-CG1 3.95Å
46Q97.4Very high95.6Very high133 Ų13362.8 Ų62.862%0.62135%0.351SS*.EExtended strand (participates in β ladder)trans-78.7119.7169.2-67.2-62.6-10.400109.4Q55Q46-Q55 VanDerWaalsContact NE2-NE2 3.16Å
47C96.9Very high96Very high27 Ų2761 Ų6118%0.18234%0.34CS..EExtended strand (participates in β ladder)trans-114.2163.2-177.9-60.20000110.6L45 E53 I54L45-C47 PolarHBondContact O-N 3.15Å; C47-E53 WeakPolarHBondContact O-CA 3.47Å; C47-I54 CarbonylContact C-O 3.58Å; C47-I54 WeakPolarHBondContact CA-O 3.49Å; C47-I54 HydrophobicContact CB-CG2 4.12Å; C47-I54 VanDerWaalsContact CB-O 3.26Å; C47-I54 WeakPolarHBondContact CB-O 3.32Å; C47-I54 PolarHBondContact N-O 2.69Å; C47-I54 PolarHBondContact O-N 3.13Å
48R95.8Very high96.3Very high135 Ų13557 Ų5751%0.50932%0.315SS..EExtended strand (participates in β ladder)trans-130.3126.3173.3-167.8176.8-64.1-88.3-5.8110.4M1 G51 L52 E53M1-R48 WeakPolarHBondContact CB-O 3.25Å; R48-G51 PolarHBondContact NH1-O 3.1Å; R48-L52 CarbonylContact C-O 3.6Å; R48-L52 WeakPolarHBondContact CA-O 3.44Å; R48-E53 IonicContact CZ-OE1 3.83Å; R48-E53 IonicContact NH2-OE1 2.9Å; R48-E53 PolarHBondContact NH2-OE1 3.02Å
49V95.4Very high96.4Very high5 Ų557.7 Ų57.73%0.0332%0.32CS..EExtended strand (participates in β ladder)trans-131.2117.5180-169.40000108.7M1 G51 L52 I54 R88 Y105M1-V49 HydrophobicContact CE-CG2 3.23Å; M1-V49 HydrophobicContact SD-CB 4.16Å; M1-V49 HydrophobicContact SD-CG1 3.82Å; M1-V49 HydrophobicContact SD-CG2 3.41Å; M1-V49 WeakPolarHBondContact SD-CG2 3.17Å; V49-G51 PolarHBondContact O-N 2.67Å; V49-L52 PolarHBondContact N-O 3.01Å; V49-L52 PolarHBondContact O-N 2.84Å; V49-L52 VanDerWaalsContact O-N 3.08Å; V49-I54 HydrophobicContact CB-CG2 4.45Å; V49-I54 HydrophobicContact CG2-CG2 3.64Å; V49-R88 PolarHBondContact O-NH1 3.41Å; V49-Y105 HydrophobicContact CG2-CD1 4.21Å
50H89.9Confident96.5Very high86 Ų8655.5 Ų55.540%0.39831%0.309SS..THydrogen-bonded Turntrans51.441.9-174.1-60.2-66.9000113.2R5 L52 D107R5-H50 PolarHBondContact NH2-CE1 3.11Å; H50-L52 PolarHBondContact O-N 3.19Å; H50-D107 IonicContact CD2-OD1 2.72Å; H50-D107 IonicContact CE1-OD1 3.95Å; H50-D107 PolarHBondContact CE1-OD1 3.44Å; H50-D107 IonicContact CE1-OD2 3.63Å; H50-D107 IonicContact NE2-OD1 2.89Å; H50-D107 PolarHBondContact NE2-OD1 3.28Å; H50-D107 IonicContact NE2-OD2 2.84Å
51G91.5Very high96.6Very high46 Ų4656.4 Ų56.447%0.47430%0.299SS..THydrogen-bonded Turntrans81.1-15.6179.600000115.1R48 V49R48-G51 PolarHBondContact NH1-O 3.1Å; V49-G51 PolarHBondContact O-N 2.67Å
52L95.1Very high96.6Very high41 Ų4155.3 Ų55.322%0.21529%0.289CS..EExtended strand (participates in β ladder)trans-92142.2-179.7-60.2179.4000111.8R48 V49 H50 R88 Q92 M93R48-L52 CarbonylContact C-O 3.6Å; R48-L52 WeakPolarHBondContact CA-O 3.44Å; V49-L52 PolarHBondContact N-O 3.01Å; V49-L52 PolarHBondContact O-N 2.84Å; V49-L52 VanDerWaalsContact O-N 3.08Å; H50-L52 PolarHBondContact O-N 3.19Å; L52-R88 HydrophobicContact CB-CG 4.37Å; L52-Q92 HydrophobicContact CD1-CB 3.95Å; L52-M93 HydrophobicContact CD1-CE 4.2Å; L52-M93 HydrophobicContact CD1-CG 3.82Å; L52-M93 HydrophobicContact CD1-SD 4.25Å
53E96.2Very high96.6Very high129 Ų12953.9 Ų53.960%0.60328%0.281SS*.EExtended strand (participates in β ladder)trans-78142.3177.5-65.2-178.917400111.2C47 R48C47-E53 WeakPolarHBondContact O-CA 3.47Å; R48-E53 IonicContact CZ-OE1 3.83Å; R48-E53 IonicContact NH2-OE1 2.9Å; R48-E53 PolarHBondContact NH2-OE1 3.02Å
54I97.9Very high96.5Very high5 Ų550.7 Ų50.73%0.02626%0.26CS..EExtended strand (participates in β ladder)trans-156.2148.2175.9-175.9165.5000108.8C47 V49 F81 R88 A104 Y105C47-I54 CarbonylContact C-O 3.58Å; C47-I54 WeakPolarHBondContact CA-O 3.49Å; C47-I54 HydrophobicContact CB-CG2 4.12Å; C47-I54 VanDerWaalsContact CB-O 3.26Å; C47-I54 WeakPolarHBondContact CB-O 3.32Å; C47-I54 PolarHBondContact N-O 2.69Å; C47-I54 PolarHBondContact O-N 3.13Å; V49-I54 HydrophobicContact CB-CG2 4.45Å; V49-I54 HydrophobicContact CG2-CG2 3.64Å; I54-F81 HydrophobicContact CD1-CD2 3.88Å; I54-F81 HydrophobicContact CD1-CE2 4Å; I54-F81 HydrophobicContact CG1-CD2 4.24Å; I54-F81 HydrophobicContact CG1-CE2 4.31Å; I54-R88 HydrophobicContact CB-CG 3.96Å; I54-R88 HydrophobicContact CD1-CG 3.96Å; I54-R88 HydrophobicContact CG1-CG 4.39Å; I54-A104 HydrophobicContact CD1-CB 4.48Å; I54-A104 WeakPolarHBondContact CD1-O 3.39Å; I54-Y105 HydrophobicContact CD1-CD1 3.81Å; I54-Y105 HydrophobicContact CD1-CE1 3.62Å; I54-Y105 HydrophobicContact CG1-CD1 4.48Å; I54-Y105 HydrophobicContact CG1-CE1 3.94Å; I54-Y105 HydrophobicContact CG2-CD1 4.12Å; I54-Y105 HydrophobicContact CG2-CE1 3.92Å
55Q98.1Very high96.5Very high57 Ų5752.2 Ų52.227%0.26627%0.266SS..EExtended strand (participates in β ladder)trans-89.1159.2176.1-68.9177-52.400111.8L45 Q46 M85 Y105L45-Q55 WeakPolarHBondContact O-CA 3.48Å; Q46-Q55 VanDerWaalsContact NE2-NE2 3.16Å; Q55-M85 HydrophobicContact CB-CG 4.28Å; Q55-M85 HydrophobicContact CB-SD 3.83Å; Q55-Y105 PolarHBondContact O-OH 2.86Å
56G98.1Very high96.5Very high0 Ų050.9 Ų50.90%026%0.257CS..EExtended strand (participates in β ladder)trans-151.4138.116600000110.6L45 H80 Y105L45-G56 PolarHBondContact N-O 3.26Å; L45-G56 PolarHBondContact O-N 3.46Å; G56-H80 CarbonylContact C-O 3.49Å; G56-H80 WeakPolarHBondContact CA-O 3.41Å; G56-Y105 VanDerWaalsContact CA-OH 3.31Å; G56-Y105 WeakPolarHBondContact CA-OH 3.37Å
57R98.3Very high96.5Very high26 Ų2645.1 Ų45.110%0.09823%0.231CC..EExtended strand (participates in β ladder)trans-72127.1170.7-178.570.360.2-171-3.2108.1P38 A40 N42 L44 V79 H80 E82 M85P38-R57 HydrophobicContact CB-CG 3.82Å; P38-R57 HydrophobicContact CG-CG 4.28Å; A40-R57 PolarHBondContact O-NH1 2.65Å; N42-R57 HydrophobicContact CB-CG 4.3Å; N42-R57 WeakPolarHBondContact O-CD 3.5Å; N42-R57 PolarHBondContact O-NH1 3Å; L44-R57 HydrophobicContact CD2-CB 4.17Å; R57-V79 CarbonylContact O-C 3.57Å; R57-V79 WeakPolarHBondContact O-CA 3.25Å; R57-H80 PolarHBondContact N-O 2.83Å; R57-H80 PolarHBondContact O-N 2.79Å; R57-E82 HydrophobicContact CB-CG 4.25Å; R57-E82 VanDerWaalsContact CB-OE1 3.29Å; R57-E82 WeakPolarHBondContact CB-OE1 3.32Å; R57-E82 VanDerWaalsContact CG-OE1 3.27Å; R57-E82 WeakPolarHBondContact CG-OE1 3.49Å; R57-E82 IonicContact CZ-OE1 2.82Å; R57-E82 IonicContact CZ-OE2 2.65Å; R57-E82 IonicContact NE-OE1 3.54Å; R57-E82 PolarHBondContact NE-OE1 3.03Å; R57-E82 IonicContact NE-OE2 3.87Å; R57-E82 PolarHBondContact NE-OE2 2.64Å; R57-E82 IonicContact NH2-OE1 3.36Å; R57-E82 IonicContact NH2-OE2 3.6Å; R57-E82 PolarHBondContact NH2-OE2 3.17Å; R57-M85 HydrophobicContact CB-CE 4.17Å
58D98.2Very high96.5Very high2 Ų244.9 Ų44.91%0.01123%0.23CC..EExtended strand (participates in β ladder)trans-64.7134.4177.6-175.5-92.1000112.2N42 P43 L45 G60 R77N42-D58 HydrophobicContact CB-CB 4.4Å; N42-D58 VanDerWaalsContact CB-O 3.22Å; N42-D58 WeakPolarHBondContact CB-O 3.3Å; N42-D58 PolarHBondContact ND2-O 3.29Å; P43-D58 HydrophobicContact CG-CB 3.85Å; P43-D58 WeakPolarHBondContact O-CB 3.17Å; P43-D58 PolarHBondContact O-N 2.76Å; L45-D58 HydrophobicContact CD1-CB 4.12Å; L45-D58 WeakPolarHBondContact CD1-OD2 3.4Å; L45-D58 HydrophobicContact CG-CB 4.24Å; D58-G60 VanDerWaalsContact C-N 3.26Å; D58-G60 PolarHBondContact O-N 2.9Å; D58-G60 WeakPolarHBondContact OD1-CA 3.43Å; D58-G60 PolarHBondContact OD1-N 2.74Å; D58-R77 IonicContact OD1-CZ 2.7Å; D58-R77 IonicContact OD1-NE 3Å; D58-R77 IonicContact OD1-NH2 3.22Å; D58-R77 PolarHBondContact OD1-NH2 3.22Å; D58-R77 IonicContact OD2-CZ 3.91Å; D58-R77 VanDerWaalsContact OD2-CZ 3.22Å; D58-R77 IonicContact OD2-NE 3.77Å; D58-R77 PolarHBondContact OD2-NE 2.95Å; D58-R77 IonicContact OD2-NH2 2.7Å; D58-R77 PolarHBondContact OD2-NH2 3.48Å
59C97.5Very high96.5Very high20 Ų2042.6 Ų42.614%0.13524%0.235CC..  trans-84.78.7-178.2-63.80000114.3P38 A63 L78P38-C59 HydrophobicContact CG-CB 4.42Å; C59-A63 HydrophobicContact CB-CB 3.76Å; C59-L78 HydrophobicContact CB-CB 4.04Å; C59-L78 HydrophobicContact CB-CD2 4.04Å; C59-L78 HydrophobicContact CB-CG 4.04Å; C59-L78 WeakPolarHBondContact CB-O 3.47Å; C59-L78 PolarHBondContact N-O 3.34Å
60G97.1Very high96.6Very high17 Ų1743.9 Ų43.918%0.17524%0.24CC..  trans95173.6176.400000114.4D58 A64D58-G60 VanDerWaalsContact C-N 3.26Å; D58-G60 PolarHBondContact O-N 2.9Å; D58-G60 WeakPolarHBondContact OD1-CA 3.43Å; D58-G60 PolarHBondContact OD1-N 2.74Å; G60-A64 PolarHBondContact O-N 2.83Å; G60-A64 VanDerWaalsContact O-N 3.17Å
61E97Very high96.8Very high99 Ų9940 Ų4046%0.46322%0.222SC..Hα-helixtrans-70.8-39-174.6-170.157.3-153.600112.6A63 A64 Q65 R77E61-A63 VanDerWaalsContact C-N 3.31Å; E61-A63 PolarHBondContact O-N 2.78Å; E61-A64 WeakPolarHBondContact O-CB 3.43Å; E61-A64 PolarHBondContact O-N 3.18Å; E61-A64 VanDerWaalsContact O-N 3.16Å; E61-Q65 HydrophobicContact CG-CG 4.25Å; E61-Q65 WeakPolarHBondContact O-CB 3.37Å; E61-Q65 WeakPolarHBondContact O-CG 3.43Å; E61-Q65 PolarHBondContact O-N 2.72Å; E61-Q65 WeakPolarHBondContact OE1-CG 3.07Å; E61-Q65 PolarHBondContact OE1-NE2 3.46Å; E61-R77 IonicContact OE2-CZ 2.79Å; E61-R77 IonicContact OE2-NH1 3.45Å; E61-R77 PolarHBondContact OE2-NH1 3.36Å; E61-R77 IonicContact OE2-NH2 3.96Å
62D97Very high97Very high108 Ų10846.3 Ų46.358%0.57824%0.236SC*.Hα-helixtrans-60.2-43.4177.5-63.2-15.9000111.1L32 Q65 W66L32-D62 HydrophobicContact CD1-CB 4.02Å; D62-Q65 PolarHBondContact O-N 2.91Å; D62-W66 VanDerWaalsContact O-CB 3.24Å; D62-W66 WeakPolarHBondContact O-CB 3.47Å; D62-W66 PolarHBondContact O-N 3.2Å
63A97.4Very high97Very high0 Ų047.2 Ų47.20%024%0.24CC..Hα-helixtrans-60.8-46.7174.800000111.7L32 L34 C59 E61 W66 V67 L78L32-A63 HydrophobicContact CD2-CB 4.26Å; L34-A63 HydrophobicContact CD1-CB 3.8Å; L34-A63 HydrophobicContact CD2-CB 4.14Å; C59-A63 HydrophobicContact CB-CB 3.76Å; E61-A63 VanDerWaalsContact C-N 3.31Å; E61-A63 PolarHBondContact O-N 2.78Å; A63-W66 PolarHBondContact O-N 2.9Å; A63-V67 WeakPolarHBondContact O-CG2 3.05Å; A63-V67 PolarHBondContact O-N 2.9Å; A63-L78 HydrophobicContact CB-CB 4.16Å; A63-L78 HydrophobicContact CB-CD2 4.26Å
64A97.5Very high96.7Very high5 Ų549.9 Ų49.94%0.04125%0.252CS..Hα-helixtrans-61.3-49178.300000112.3G60 E61 W66 V67 S68 C76G60-A64 PolarHBondContact O-N 2.83Å; G60-A64 VanDerWaalsContact O-N 3.17Å; E61-A64 WeakPolarHBondContact O-CB 3.43Å; E61-A64 PolarHBondContact O-N 3.18Å; E61-A64 VanDerWaalsContact O-N 3.16Å; A64-W66 VanDerWaalsContact C-N 3.33Å; A64-W66 PolarHBondContact O-N 3.06Å; A64-V67 WeakPolarHBondContact O-CG2 3.34Å; A64-V67 PolarHBondContact O-N 3.45Å; A64-S68 WeakPolarHBondContact O-CB 3.21Å; A64-S68 PolarHBondContact O-N 2.72Å; A64-C76 WeakPolarHBondContact CA-O 3.47Å; A64-C76 WeakPolarHBondContact CB-O 3.03Å
65Q97Very high96.3Very high103 Ų10355 Ų5548%0.48129%0.289SS..Hα-helixtrans-61.8-42.2179-71.9-179.94.800111.7E61 D62 S69E61-Q65 HydrophobicContact CG-CG 4.25Å; E61-Q65 WeakPolarHBondContact O-CB 3.37Å; E61-Q65 WeakPolarHBondContact O-CG 3.43Å; E61-Q65 PolarHBondContact O-N 2.72Å; E61-Q65 WeakPolarHBondContact OE1-CG 3.07Å; E61-Q65 PolarHBondContact OE1-NE2 3.46Å; D62-Q65 PolarHBondContact O-N 2.91Å; Q65-S69 WeakPolarHBondContact O-CB 3.38Å; Q65-S69 PolarHBondContact O-N 3.07Å; Q65-S69 PolarHBondContact O-OG 3.25Å
66W97.8Very high96.2Very high24 Ų2452.9 Ų52.99%0.09128%0.28CS..Hα-helixtrans-62-52.8178.7-170.197.4000111.6I13 L24 A26 T29 K30 L32 D62 A63 A64 S68 S69 F70I13-W66 HydrophobicContact CD1-CZ3 4.04Å; I13-W66 HydrophobicContact CG1-CH2 4.21Å; I13-W66 HydrophobicContact CG1-CZ3 4Å; I13-W66 HydrophobicContact CG2-CH2 3.88Å; I13-W66 HydrophobicContact CG2-CZ3 3.79Å; L24-W66 HydrophobicContact CB-CD2 4.5Å; L24-W66 HydrophobicContact CB-CE3 4.3Å; L24-W66 HydrophobicContact CB-CH2 3.91Å; L24-W66 HydrophobicContact CB-CZ2 4.08Å; L24-W66 HydrophobicContact CB-CZ3 4.02Å; L24-W66 HydrophobicContact CD1-CE3 4.15Å; L24-W66 HydrophobicContact CD1-CZ3 4.28Å; L24-W66 WeakPolarHBondContact O-CZ2 3.39Å; A26-W66 HydrophobicContact CB-CH2 3.78Å; A26-W66 HydrophobicContact CB-CZ2 4.03Å; T29-W66 HydrophobicContact CG2-CZ2 3.91Å; K30-W66 PolarHBondContact O-NE1 2.9Å; L32-W66 HydrophobicContact CB-CB 4.48Å; L32-W66 VanDerWaalsContact CB-CD1 3.49Å; L32-W66 HydrophobicContact CB-CD2 4.29Å; L32-W66 HydrophobicContact CB-CG 3.86Å; L32-W66 HydrophobicContact CD2-CB 3.62Å; L32-W66 HydrophobicContact CD2-CD2 4.48Å; L32-W66 HydrophobicContact CD2-CG 3.84Å; L32-W66 HydrophobicContact CG-CG 4.45Å; D62-W66 VanDerWaalsContact O-CB 3.24Å; D62-W66 WeakPolarHBondContact O-CB 3.47Å; D62-W66 PolarHBondContact O-N 3.2Å; A63-W66 PolarHBondContact O-N 2.9Å; A64-W66 VanDerWaalsContact C-N 3.33Å; A64-W66 PolarHBondContact O-N 3.06Å; W66-S68 PolarHBondContact O-N 3.45Å; W66-S69 PolarHBondContact O-N 3.19Å; W66-F70 WeakPolarHBondContact O-CB 3.38Å; W66-F70 PolarHBondContact O-N 2.97Å
67V97.2Very high96.1Very high13 Ų1357.7 Ų57.78%0.07930%0.298CS..Hα-helixtrans-66.5-39.7-179.7-63.20000111.8A63 A64 L71 C76A63-V67 WeakPolarHBondContact O-CG2 3.05Å; A63-V67 PolarHBondContact O-N 2.9Å; A64-V67 WeakPolarHBondContact O-CG2 3.34Å; A64-V67 PolarHBondContact O-N 3.45Å; V67-L71 VanDerWaalsContact O-CB 3.3Å; V67-L71 WeakPolarHBondContact O-CB 3.37Å; V67-L71 VanDerWaalsContact O-CG 3.29Å; V67-L71 WeakPolarHBondContact O-CG 3.48Å; V67-L71 PolarHBondContact O-N 2.82Å; V67-C76 HydrophobicContact CG2-CB 3.74Å
68S96.3Very high96.1Very high21 Ų2159 Ų5915%0.14731%0.307CS..Hα-helixtrans-62.6-42.9176.9-96.80000112.3A64 W66 K72 M73 S75 C76A64-S68 WeakPolarHBondContact O-CB 3.21Å; A64-S68 PolarHBondContact O-N 2.72Å; W66-S68 PolarHBondContact O-N 3.45Å; S68-K72 CarbonylContact O-C 3.43Å; S68-K72 VanDerWaalsContact O-CA 3.31Å; S68-K72 WeakPolarHBondContact O-CA 3.47Å; S68-K72 PolarHBondContact O-N 2.74Å; S68-M73 VanDerWaalsContact CA-O 3.26Å; S68-M73 WeakPolarHBondContact CA-O 3.41Å; S68-M73 WeakPolarHBondContact CB-O 3.46Å; S68-M73 PolarHBondContact O-N 3.46Å; S68-M73 PolarHBondContact OG-O 3.28Å; S68-S75 PolarHBondContact OG-N 3.07Å; S68-C76 WeakPolarHBondContact OG-CB 3.35Å; S68-C76 PolarHBondContact OG-N 3.13Å
69S95.9Very high96Very high88 Ų8860.2 Ų60.262%0.61531%0.314SS*.Hα-helixtrans-67.6-48.7-179.6-60.80000111.1Q65 W66 L71 K72Q65-S69 WeakPolarHBondContact O-CB 3.38Å; Q65-S69 PolarHBondContact O-N 3.07Å; Q65-S69 PolarHBondContact O-OG 3.25Å; W66-S69 PolarHBondContact O-N 3.19Å; S69-L71 PolarHBondContact O-N 3.24Å; S69-K72 PolarHBondContact O-N 2.98Å; S69-K72 VanDerWaalsContact O-N 3.14Å
70F96.8Very high96Very high31 Ų3162.1 Ų62.114%0.13632%0.321CS..Hα-helixtrans-60.8-47.8179.5177.7-106.5000111.9R9 L12 I13 A26 T29 W66 K72R9-F70 HydrophobicContact CB-CE1 4.38Å; R9-F70 PolarHBondContact NH1-O 2.98Å; R9-F70 WeakPolarHBondContact O-CE1 3.5Å; L12-F70 HydrophobicContact CB-CE1 4.26Å; L12-F70 HydrophobicContact CB-CZ 3.8Å; L12-F70 HydrophobicContact CD1-CZ 4.39Å; I13-F70 HydrophobicContact CD1-CD1 3.91Å; I13-F70 HydrophobicContact CD1-CE1 4.22Å; I13-F70 HydrophobicContact CG1-CD1 3.65Å; I13-F70 HydrophobicContact CG1-CE1 3.58Å; A26-F70 HydrophobicContact CB-CD1 4.49Å; A26-F70 HydrophobicContact CB-CD2 3.71Å; A26-F70 HydrophobicContact CB-CE1 4.24Å; A26-F70 HydrophobicContact CB-CE2 3.42Å; A26-F70 VanDerWaalsContact CB-CE2 3.42Å; A26-F70 HydrophobicContact CB-CG 4.25Å; A26-F70 HydrophobicContact CB-CZ 3.71Å; T29-F70 WeakPolarHBondContact OG1-CD2 3.34Å; W66-F70 WeakPolarHBondContact O-CB 3.38Å; W66-F70 PolarHBondContact O-N 2.97Å; F70-K72 PolarHBondContact O-N 2.84Å
71L95.8Very high96Very high4 Ų463.2 Ų63.22%0.02132%0.321CS..Hα-helixtrans-78.3-5.9179.2-58.7178000112.7E7 R9 L10 I13 V67 S69 M73E7-L71 HydrophobicContact CG-CB 4.44Å; E7-L71 HydrophobicContact CG-CD1 4.48Å; E7-L71 HydrophobicContact CG-CD2 3.88Å; E7-L71 HydrophobicContact CG-CG 4.49Å; R9-L71 HydrophobicContact CB-CD2 4.07Å; R9-L71 VanDerWaalsContact CZ-O 3.22Å; R9-L71 PolarHBondContact NH1-O 3.36Å; R9-L71 VanDerWaalsContact NH1-O 3.17Å; R9-L71 PolarHBondContact NH2-O 3.07Å; L10-L71 HydrophobicContact CD2-CD1 3.59Å; L10-L71 HydrophobicContact CD2-CD2 4.24Å; L10-L71 HydrophobicContact CG-CD1 4.15Å; L10-L71 HydrophobicContact CG-CD2 4.28Å; I13-L71 HydrophobicContact CD1-CD2 4.33Å; V67-L71 VanDerWaalsContact O-CB 3.3Å; V67-L71 WeakPolarHBondContact O-CB 3.37Å; V67-L71 VanDerWaalsContact O-CG 3.29Å; V67-L71 WeakPolarHBondContact O-CG 3.48Å; V67-L71 PolarHBondContact O-N 2.82Å; S69-L71 PolarHBondContact O-N 3.24Å; L71-M73 HydrophobicContact CB-CB 4.2Å; L71-M73 HydrophobicContact CB-CG 4Å; L71-M73 HydrophobicContact CB-SD 4.07Å; L71-M73 HydrophobicContact CD1-SD 4.36Å; L71-M73 WeakPolarHBondContact O-CG 3.11Å; L71-M73 PolarHBondContact O-N 2.89Å
72K95.1Very high96Very high180 Ų18059.2 Ų59.278%0.78330%0.302SS*.THydrogen-bonded Turntrans50.437.9-172.8-55-178179.8-179.40112S68 S69 F70S68-K72 CarbonylContact O-C 3.43Å; S68-K72 VanDerWaalsContact O-CA 3.31Å; S68-K72 WeakPolarHBondContact O-CA 3.47Å; S68-K72 PolarHBondContact O-N 2.74Å; S69-K72 PolarHBondContact O-N 2.98Å; S69-K72 VanDerWaalsContact O-N 3.14Å; F70-K72 PolarHBondContact O-N 2.84Å
73M94.9Very high95.9Very high60 Ų6060 Ų6030%0.29631%0.314SS..  trans-118.1134-178.3-72.8-179.968.700109.2V2 E7 S68 L71 C76V2-M73 HydrophobicContact CG1-CE 3.91Å; V2-M73 HydrophobicContact CG1-SD 3.99Å; V2-M73 HydrophobicContact CG2-CE 3.75Å; E7-M73 HydrophobicContact CB-SD 4.06Å; E7-M73 HydrophobicContact CG-SD 3.86Å; S68-M73 VanDerWaalsContact CA-O 3.26Å; S68-M73 WeakPolarHBondContact CA-O 3.41Å; S68-M73 WeakPolarHBondContact CB-O 3.46Å; S68-M73 PolarHBondContact O-N 3.46Å; S68-M73 PolarHBondContact OG-O 3.28Å; L71-M73 HydrophobicContact CB-CB 4.2Å; L71-M73 HydrophobicContact CB-CG 4Å; L71-M73 HydrophobicContact CB-SD 4.07Å; L71-M73 HydrophobicContact CD1-SD 4.36Å; L71-M73 WeakPolarHBondContact O-CG 3.11Å; L71-M73 PolarHBondContact O-N 2.89Å; M73-C76 WeakPolarHBondContact CB-SG 3.41Å
74Q90.4Very high95.7Very high184 Ų18466.8 Ų66.886%0.8635%0.345SS*.THydrogen-bonded Turntrans-74144.5176.1-66-172.8-12.900111C76Q74-C76 VanDerWaalsContact C-N 3.33Å; Q74-C76 PolarHBondContact O-N 2.96Å
75S88.4Confident95.7Very high113 Ų11366.9 Ų66.979%0.7935%0.345SS*.THydrogen-bonded Turntrans59.234168.2-48.50000115.5S68S68-S75 PolarHBondContact OG-N 3.07Å
76C95.8Very high95.7Very high13 Ų1371.6 Ų71.69%0.08836%0.358CS..  trans-78133.5171.2-71.60000109.6A64 V67 S68 M73 Q74A64-C76 WeakPolarHBondContact CA-O 3.47Å; A64-C76 WeakPolarHBondContact CB-O 3.03Å; V67-C76 HydrophobicContact CG2-CB 3.74Å; S68-C76 WeakPolarHBondContact OG-CB 3.35Å; S68-C76 PolarHBondContact OG-N 3.13Å; M73-C76 WeakPolarHBondContact CB-SG 3.41Å; Q74-C76 VanDerWaalsContact C-N 3.33Å; Q74-C76 PolarHBondContact O-N 2.96Å
77R96.9Very high95.7Very high100 Ų10072 Ų7238%0.37736%0.364SS..  trans-118.3138.9174.2-56.6-61.2-69.6-168.7-4.5108.9L45 D58 E61L45-R77 HydrophobicContact CD1-CB 4.19Å; L45-R77 HydrophobicContact CD1-CG 4.2Å; D58-R77 IonicContact OD1-CZ 2.7Å; D58-R77 IonicContact OD1-NE 3Å; D58-R77 IonicContact OD1-NH2 3.22Å; D58-R77 PolarHBondContact OD1-NH2 3.22Å; D58-R77 IonicContact OD2-CZ 3.91Å; D58-R77 VanDerWaalsContact OD2-CZ 3.22Å; D58-R77 IonicContact OD2-NE 3.77Å; D58-R77 PolarHBondContact OD2-NE 2.95Å; D58-R77 IonicContact OD2-NH2 2.7Å; D58-R77 PolarHBondContact OD2-NH2 3.48Å; E61-R77 IonicContact OE2-CZ 2.79Å; E61-R77 IonicContact OE2-NH1 3.45Å; E61-R77 PolarHBondContact OE2-NH1 3.36Å; E61-R77 IonicContact OE2-NH2 3.96Å
78L97.3Very high95.7Very high54 Ų5471.7 Ų71.728%0.28336%0.361SS..  trans-90.4135.2165-178.266.5000108.3L24 L34 C59 A63L24-L78 HydrophobicContact CD1-CD2 3.87Å; L34-L78 HydrophobicContact CD1-CD2 3.96Å; C59-L78 HydrophobicContact CB-CB 4.04Å; C59-L78 HydrophobicContact CB-CD2 4.04Å; C59-L78 HydrophobicContact CB-CG 4.04Å; C59-L78 WeakPolarHBondContact CB-O 3.47Å; C59-L78 PolarHBondContact N-O 3.34Å; A63-L78 HydrophobicContact CB-CB 4.16Å; A63-L78 HydrophobicContact CB-CD2 4.26Å
79V97.4Very high95.7Very high27 Ų2771.9 Ų71.916%0.16436%0.363CS..EExtended strand (participates in β ladder)trans-130.3147.8178.8-59.80000111.2L45 R57L45-V79 HydrophobicContact CB-CG1 4.45Å; L45-V79 HydrophobicContact CD1-CG1 3.95Å; R57-V79 CarbonylContact O-C 3.57Å; R57-V79 WeakPolarHBondContact O-CA 3.25Å
80H97.2Very high95.8Very high60 Ų6067.7 Ų67.728%0.27833%0.334SS..EExtended strand (participates in β ladder)trans-113138.2177.7179.5-105.6000110.8P38 G56 R57P38-H80 HydrophobicContact CG-CB 3.68Å; G56-H80 CarbonylContact C-O 3.49Å; G56-H80 WeakPolarHBondContact CA-O 3.41Å; R57-H80 PolarHBondContact N-O 2.83Å; R57-H80 PolarHBondContact O-N 2.79Å
81F97.5Very high95.8Very high40 Ų4072.4 Ų72.418%0.17535%0.351CS..  trans-86.8126.1175.3179.4-97.2000109.9I54 M85 P87 A104 Y105I54-F81 HydrophobicContact CD1-CD2 3.88Å; I54-F81 HydrophobicContact CD1-CE2 4Å; I54-F81 HydrophobicContact CG1-CD2 4.24Å; I54-F81 HydrophobicContact CG1-CE2 4.31Å; F81-M85 HydrophobicContact CD2-CB 4.07Å; F81-M85 HydrophobicContact CD2-SD 4.19Å; F81-M85 HydrophobicContact CE2-CB 3.55Å; F81-M85 HydrophobicContact CZ-CB 3.99Å; F81-M85 WeakPolarHBondContact CZ-O 3.09Å; F81-P87 HydrophobicContact CE2-CB 4.41Å; F81-P87 HydrophobicContact CZ-CB 3.85Å; F81-A104 HydrophobicContact CB-CB 3.92Å; F81-A104 HydrophobicContact CD1-CB 3.86Å; F81-A104 HydrophobicContact CD2-CB 4.09Å; F81-A104 HydrophobicContact CE1-CB 4.42Å; F81-A104 HydrophobicContact CG-CB 3.67Å; F81-Y105 WeakPolarHBondContact CA-OH 3.44Å; F81-Y105 HydrophobicContact CB-CE2 3.69Å; F81-Y105 PolarHBondContact N-OH 2.66Å
82E96.6Very high95.8Very high15 Ų1578.2 Ų78.27%0.0738%0.378CS..  trans-99141.8177.1-60171.7166.100110.2R57 H84 M85R57-E82 HydrophobicContact CB-CG 4.25Å; R57-E82 VanDerWaalsContact CB-OE1 3.29Å; R57-E82 WeakPolarHBondContact CB-OE1 3.32Å; R57-E82 VanDerWaalsContact CG-OE1 3.27Å; R57-E82 WeakPolarHBondContact CG-OE1 3.49Å; R57-E82 IonicContact CZ-OE1 2.82Å; R57-E82 IonicContact CZ-OE2 2.65Å; R57-E82 IonicContact NE-OE1 3.54Å; R57-E82 PolarHBondContact NE-OE1 3.03Å; R57-E82 IonicContact NE-OE2 3.87Å; R57-E82 PolarHBondContact NE-OE2 2.64Å; R57-E82 IonicContact NH2-OE1 3.36Å; R57-E82 IonicContact NH2-OE2 3.6Å; R57-E82 PolarHBondContact NH2-OE2 3.17Å; E82-H84 PolarHBondContact O-N 3.35Å; E82-H84 IonicContact OE2-CE1 3.72Å; E82-H84 PolarHBondContact OE2-CE1 3.12Å; E82-H84 IonicContact OE2-ND1 3.81Å; E82-H84 IonicContact OE2-NE2 3.08Å; E82-H84 PolarHBondContact OE2-NE2 2.92Å; E82-M85 HydrophobicContact CB-CE 3.81Å; E82-M85 HydrophobicContact CB-CG 4.14Å; E82-M85 HydrophobicContact CB-SD 4.15Å; E82-M85 HydrophobicContact CG-CE 3.77Å; E82-M85 PolarHBondContact N-SD 3.45Å; E82-M85 VanDerWaalsContact N-SD 3.39Å; E82-M85 VanDerWaalsContact O-CB 3.23Å; E82-M85 WeakPolarHBondContact O-CB 3.46Å; E82-M85 WeakPolarHBondContact O-CG 3.35Å; E82-M85 PolarHBondContact O-N 2.9Å; E82-M85 WeakPolarHBondContact OE2-CE 3.28Å
83P94.1Very high95.7Very high126 Ų12671.7 Ų71.782%0.81835%0.35SS*.THydrogen-bonded Turntrans-58.5-21.8-174.1-28.735.6000116.4M85P83-M85 VanDerWaalsContact C-N 3.34Å
84H94.2Very high95.7Very high142 Ų14271.9 Ų71.966%0.65735%0.35SS*.THydrogen-bonded Turntrans-82.9-11.4176.267.8-96.6000113.3E82E82-H84 PolarHBondContact O-N 3.35Å; E82-H84 IonicContact OE2-CE1 3.72Å; E82-H84 PolarHBondContact OE2-CE1 3.12Å; E82-H84 IonicContact OE2-ND1 3.81Å; E82-H84 IonicContact OE2-NE2 3.08Å; E82-H84 PolarHBondContact OE2-NE2 2.92Å
85M96.9Very high96Very high6 Ų667.1 Ų67.13%0.0334%0.342CS..SBendtrans-72.1154.9174.1-64176.5-179.400110.3L44 Q55 R57 F81 E82 P83 P87L44-M85 HydrophobicContact CD2-CE 3.21Å; L44-M85 HydrophobicContact CG-CE 4.49Å; Q55-M85 HydrophobicContact CB-CG 4.28Å; Q55-M85 HydrophobicContact CB-SD 3.83Å; R57-M85 HydrophobicContact CB-CE 4.17Å; F81-M85 HydrophobicContact CD2-CB 4.07Å; F81-M85 HydrophobicContact CD2-SD 4.19Å; F81-M85 HydrophobicContact CE2-CB 3.55Å; F81-M85 HydrophobicContact CZ-CB 3.99Å; F81-M85 WeakPolarHBondContact CZ-O 3.09Å; E82-M85 HydrophobicContact CB-CE 3.81Å; E82-M85 HydrophobicContact CB-CG 4.14Å; E82-M85 HydrophobicContact CB-SD 4.15Å; E82-M85 HydrophobicContact CG-CE 3.77Å; E82-M85 PolarHBondContact N-SD 3.45Å; E82-M85 VanDerWaalsContact N-SD 3.39Å; E82-M85 VanDerWaalsContact O-CB 3.23Å; E82-M85 WeakPolarHBondContact O-CB 3.46Å; E82-M85 WeakPolarHBondContact O-CG 3.35Å; E82-M85 PolarHBondContact O-N 2.9Å; E82-M85 WeakPolarHBondContact OE2-CE 3.28Å; P83-M85 VanDerWaalsContact C-N 3.34Å; M85-P87 VanDerWaalsContact O-CD 3.24Å; M85-P87 WeakPolarHBondContact O-CD 3.42Å
86R97Very high96.3Very high203 Ų20365 Ų6577%0.76632%0.324SS*.PPolyproline II helixtrans-72.6117.7174.8-174.1178.1179.3-177.71.3110.1
87P97.4Very high96.4Very high33 Ų3364.5 Ų64.521%0.21432%0.32CS..PPolyproline II helixtrans-74.2166.317431.9-34.4000111.1F81 M85 Q102F81-P87 HydrophobicContact CE2-CB 4.41Å; F81-P87 HydrophobicContact CZ-CB 3.85Å; M85-P87 VanDerWaalsContact O-CD 3.24Å; M85-P87 WeakPolarHBondContact O-CD 3.42Å; P87-Q102 HydrophobicContact CB-CB 4.1Å; P87-Q102 HydrophobicContact CG-CB 3.97Å; P87-Q102 VanDerWaalsContact CG-CD 3.45Å; P87-Q102 HydrophobicContact CG-CG 4.01Å
88R97.4Very high96.4Very high5 Ų563 Ų632%0.01932%0.315CS..EExtended strand (participates in β ladder)trans-81.8142.3171.6-66.8-174-57.2128.817.7110.2V49 L52 I54 M93 Q102 V103 A104 S106V49-R88 PolarHBondContact O-NH1 3.41Å; L52-R88 HydrophobicContact CB-CG 4.37Å; I54-R88 HydrophobicContact CB-CG 3.96Å; I54-R88 HydrophobicContact CD1-CG 3.96Å; I54-R88 HydrophobicContact CG1-CG 4.39Å; R88-M93 HydrophobicContact CB-CE 4.21Å; R88-M93 PolarHBondContact NH1-SD 2.65Å; R88-M93 VanDerWaalsContact NH1-SD 3.42Å; R88-Q102 WeakPolarHBondContact O-CA 3.33Å; R88-V103 HydrophobicContact CB-CG2 4.35Å; R88-V103 PolarHBondContact N-O 3.41Å; R88-V103 PolarHBondContact O-N 2.83Å; R88-A104 PolarHBondContact NE-O 2.86Å; R88-A104 PolarHBondContact NH2-O 2.82Å; R88-S106 PolarHBondContact NH2-O 3.34Å
89S97.3Very high96.4Very high26 Ų2665.3 Ų65.318%0.18233%0.331CS..EExtended strand (participates in β ladder)trans-86.4119177.8175.70000110.8R91 Q92 M93S89-R91 PolarHBondContact O-N 3.23Å; S89-R91 VanDerWaalsContact O-N 3.14Å; S89-R91 PolarHBondContact OG-N 3.12Å; S89-Q92 WeakPolarHBondContact O-CB 3.3Å; S89-Q92 PolarHBondContact O-N 3.03Å; S89-M93 WeakPolarHBondContact O-CE 3.47Å
90S97.3Very high96.3Very high0 Ų069.6 Ų69.60%035%0.347CS..Hα-helixtrans-51.5-36.9175.3-65.20000112.3Q92 M93 K94 D101 A108S90-Q92 VanDerWaalsContact C-N 3.31Å; S90-Q92 PolarHBondContact O-N 3.46Å; S90-M93 VanDerWaalsContact CA-CE 3.4Å; S90-M93 PolarHBondContact O-N 3.36Å; S90-K94 PolarHBondContact O-N 3.26Å; S90-D101 WeakPolarHBondContact CB-O 3.47Å; S90-D101 PolarHBondContact N-O 3Å; S90-A108 WeakPolarHBondContact CB-O 3.42Å; S90-A108 PolarHBondContact OG-O 2.92Å
91R96.8Very high96.3Very high130 Ų13067.2 Ų67.249%0.49134%0.336SS..Hα-helixtrans-61.4-33178.4-168.6172.9-172.9-151.8-0.3114.1S89 M93 K94 F97S89-R91 PolarHBondContact O-N 3.23Å; S89-R91 VanDerWaalsContact O-N 3.14Å; S89-R91 PolarHBondContact OG-N 3.12Å; R91-M93 PolarHBondContact O-N 3.28Å; R91-K94 WeakPolarHBondContact CA-O 3.41Å; R91-K94 CarbonylContact O-C 3.51Å; R91-F97 HydrophobicContact CB-CB 4.38Å; R91-F97 WeakPolarHBondContact CD-O 3.28Å; R91-F97 VanDerWaalsContact CG-O 3.24Å; R91-F97 WeakPolarHBondContact CG-O 3.4Å
92Q95.8Very high96.3Very high126 Ų12670.4 Ų70.459%0.58935%0.352SS*.Hα-helixtrans-69.2-24.7176.5-70.1-179.3-47.200112.4L52 S89 S90L52-Q92 HydrophobicContact CD1-CB 3.95Å; S89-Q92 WeakPolarHBondContact O-CB 3.3Å; S89-Q92 PolarHBondContact O-N 3.03Å; S90-Q92 VanDerWaalsContact C-N 3.31Å; S90-Q92 PolarHBondContact O-N 3.46Å
93M93.9Very high96.4Very high42 Ų4270 Ų7021%0.20735%0.35CS..Hα-helixtrans-89.2-39176.2-68.2157.3-80.100111.4L52 R88 S89 S90 R91 V103 A108L52-M93 HydrophobicContact CD1-CE 4.2Å; L52-M93 HydrophobicContact CD1-CG 3.82Å; L52-M93 HydrophobicContact CD1-SD 4.25Å; R88-M93 HydrophobicContact CB-CE 4.21Å; R88-M93 PolarHBondContact NH1-SD 2.65Å; R88-M93 VanDerWaalsContact NH1-SD 3.42Å; S89-M93 WeakPolarHBondContact O-CE 3.47Å; S90-M93 VanDerWaalsContact CA-CE 3.4Å; S90-M93 PolarHBondContact O-N 3.36Å; R91-M93 PolarHBondContact O-N 3.28Å; M93-V103 HydrophobicContact CE-CG2 3.97Å; M93-A108 HydrophobicContact CB-CB 4.39Å
94K94.7Very high96.5Very high65 Ų6565.3 Ų65.328%0.28332%0.322SS..  trans-143.4113.4-179.4-70.2-64.4-175.6175.50109.8S90 R91 V96 F97 A108 M166 L205S90-K94 PolarHBondContact O-N 3.26Å; R91-K94 WeakPolarHBondContact CA-O 3.41Å; R91-K94 CarbonylContact O-C 3.51Å; K94-V96 HydrophobicContact CB-CG2 4.25Å; K94-V96 PolarHBondContact O-N 2.86Å; K94-F97 HydrophobicContact CB-CD2 3.6Å; K94-F97 HydrophobicContact CB-CE2 3.78Å; K94-F97 HydrophobicContact CG-CE2 4.36Å; K94-F97 WeakPolarHBondContact O-CD2 3.4Å; K94-F97 PolarHBondContact O-N 2.59Å; K94-F97 VanDerWaalsContact O-N 3.1Å; K94-A108 HydrophobicContact CG-CB 4.43Å; K94-M166 HydrophobicContact CB-SD 4.11Å; K94-M166 HydrophobicContact CD-CE 4.29Å; K94-M166 HydrophobicContact CD-SD 4.18Å; K94-M166 HydrophobicContact CG-SD 3.97Å; K94-L205 PolarHBondContact NZ-O 2.84Å
95A95.1Very high96.7Very high84 Ų8461.3 Ų61.369%0.69430%0.302SS*.THydrogen-bonded Turntrans-61.2-19.1-17100000115.4F97A95-F97 VanDerWaalsContact C-N 3.27Å; A95-F97 PolarHBondContact O-N 2.72Å
96V96.6Very high96.7Very high68 Ų6863.8 Ų63.841%0.41232%0.32SS..THydrogen-bonded Turntrans-68.9-20.7177.2-650000113.7K94 V165 M166 L205K94-V96 HydrophobicContact CB-CG2 4.25Å; K94-V96 PolarHBondContact O-N 2.86Å; V96-V165 HydrophobicContact CB-CG1 4.34Å; V96-V165 HydrophobicContact CG2-CG1 3.85Å; V96-M166 HydrophobicContact CG2-CB 4.26Å; V96-M166 HydrophobicContact CG2-CG 4.17Å; V96-M166 HydrophobicContact CG2-SD 3.58Å; V96-M166 VanDerWaalsContact CG2-SD 3.58Å; V96-L205 HydrophobicContact CG1-CD1 3.84Å; V96-L205 HydrophobicContact CG1-CD2 4.23Å; V96-L205 HydrophobicContact CG2-CD1 4.28Å
97F97.6Very high96.6Very high3 Ų357.5 Ų57.51%0.01330%0.302CS..SBendtrans-73.7154173.6-73.7-94.2000111.3R91 K94 A95 D101 V165 M166 Y215R91-F97 HydrophobicContact CB-CB 4.38Å; R91-F97 WeakPolarHBondContact CD-O 3.28Å; R91-F97 VanDerWaalsContact CG-O 3.24Å; R91-F97 WeakPolarHBondContact CG-O 3.4Å; K94-F97 HydrophobicContact CB-CD2 3.6Å; K94-F97 HydrophobicContact CB-CE2 3.78Å; K94-F97 HydrophobicContact CG-CE2 4.36Å; K94-F97 WeakPolarHBondContact O-CD2 3.4Å; K94-F97 PolarHBondContact O-N 2.59Å; K94-F97 VanDerWaalsContact O-N 3.1Å; A95-F97 VanDerWaalsContact C-N 3.27Å; A95-F97 PolarHBondContact O-N 2.72Å; F97-D101 HydrophobicContact CB-CB 4.24Å; F97-D101 HydrophobicContact CD1-CB 4.03Å; F97-V165 HydrophobicContact CD1-CB 4.36Å; F97-V165 HydrophobicContact CD1-CG1 3.81Å; F97-V165 HydrophobicContact CD1-CG2 4.07Å; F97-V165 HydrophobicContact CD2-CG1 3.9Å; F97-V165 HydrophobicContact CE1-CB 4Å; F97-V165 HydrophobicContact CE1-CG1 3.82Å; F97-V165 HydrophobicContact CE1-CG2 3.88Å; F97-V165 HydrophobicContact CE2-CG1 3.92Å; F97-V165 HydrophobicContact CG-CG1 3.87Å; F97-V165 HydrophobicContact CZ-CB 4.17Å; F97-V165 HydrophobicContact CZ-CG1 3.87Å; F97-M166 HydrophobicContact CE2-CG 4.38Å; F97-M166 HydrophobicContact CE2-SD 4.02Å; F97-Y215 HydrophobicContact CZ-CD2 4.29Å; F97-Y215 HydrophobicContact CZ-CG 4.4Å
98R97.3Very high96.4Very high69 Ų6956.3 Ų56.326%0.2630%0.295SS..  trans-80.8163.9179.5-56.6166.4-63.8177.9-1.2110.5K100 D101 L218 E219R98-K100 HydrophobicContact CB-CG 4.32Å; R98-K100 VanDerWaalsContact NH2-CE 3.3Å; R98-K100 PolarHBondContact O-N 2.88Å; R98-D101 WeakPolarHBondContact CA-OD2 3.35Å; R98-D101 VanDerWaalsContact CB-OD2 3.28Å; R98-D101 WeakPolarHBondContact CB-OD2 3.49Å; R98-D101 IonicContact CZ-OD1 3.15Å; R98-D101 IonicContact CZ-OD2 2.72Å; R98-D101 PolarHBondContact N-OD2 2.93Å; R98-D101 IonicContact NE-OD1 3.68Å; R98-D101 PolarHBondContact NE-OD1 2.86Å; R98-D101 IonicContact NE-OD2 2.74Å; R98-D101 PolarHBondContact NE-OD2 3.02Å; R98-D101 VanDerWaalsContact NE-OD2 3.11Å; R98-D101 IonicContact NH2-OD1 3.33Å; R98-D101 PolarHBondContact NH2-OD1 2.88Å; R98-D101 IonicContact NH2-OD2 3.45Å; R98-D101 PolarHBondContact O-N 2.84Å; R98-D101 VanDerWaalsContact O-N 3.15Å; R98-L218 PolarHBondContact NH2-O 2.7Å; R98-E219 IonicContact CZ-OE1 3.58Å; R98-E219 VanDerWaalsContact CZ-OE1 3.31Å; R98-E219 IonicContact CZ-OE2 3.65Å; R98-E219 IonicContact NH1-OE1 2.72Å; R98-E219 PolarHBondContact NH1-OE1 3.2Å; R98-E219 IonicContact NH1-OE2 3.83Å; R98-E219 PolarHBondContact NH1-OE2 2.81Å; R98-E219 IonicContact NH2-OE1 3.49Å; R98-E219 IonicContact NH2-OE2 2.79Å
99T96.3Very high96.4Very high101 Ų10156.4 Ų56.462%0.6230%0.296SS*.THydrogen-bonded Turntrans-61.5-31.3177.747.10000113.2D101T99-D101 VanDerWaalsContact C-N 3.34Å
100K96.2Very high96.4Very high118 Ų11856.8 Ų56.851%0.51330%0.298SS..THydrogen-bonded Turntrans-77.1-16.6177.770.1172.2-176.3172.60113.9R98 Q102 E219R98-K100 HydrophobicContact CB-CG 4.32Å; R98-K100 VanDerWaalsContact NH2-CE 3.3Å; R98-K100 PolarHBondContact O-N 2.88Å; K100-Q102 PolarHBondContact O-N 2.87Å; K100-E219 IonicContact NZ-OE2 3.41Å; K100-E219 PolarHBondContact NZ-OE2 3.42Å; K100-E219 VanDerWaalsContact NZ-OE2 3.08Å
101D97.4Very high96.5Very high9 Ų959.7 Ų59.75%0.04831%0.31CS..  trans-77.8120.4-175.5-58.6-33.2000109.8S90 F97 R98 T99S90-D101 WeakPolarHBondContact CB-O 3.47Å; S90-D101 PolarHBondContact N-O 3Å; F97-D101 HydrophobicContact CB-CB 4.24Å; F97-D101 HydrophobicContact CD1-CB 4.03Å; R98-D101 WeakPolarHBondContact CA-OD2 3.35Å; R98-D101 VanDerWaalsContact CB-OD2 3.28Å; R98-D101 WeakPolarHBondContact CB-OD2 3.49Å; R98-D101 IonicContact CZ-OD1 3.15Å; R98-D101 IonicContact CZ-OD2 2.72Å; R98-D101 PolarHBondContact N-OD2 2.93Å; R98-D101 IonicContact NE-OD1 3.68Å; R98-D101 PolarHBondContact NE-OD1 2.86Å; R98-D101 IonicContact NE-OD2 2.74Å; R98-D101 PolarHBondContact NE-OD2 3.02Å; R98-D101 VanDerWaalsContact NE-OD2 3.11Å; R98-D101 IonicContact NH2-OD1 3.33Å; R98-D101 PolarHBondContact NH2-OD1 2.88Å; R98-D101 IonicContact NH2-OD2 3.45Å; R98-D101 PolarHBondContact O-N 2.84Å; R98-D101 VanDerWaalsContact O-N 3.15Å; T99-D101 VanDerWaalsContact C-N 3.34Å
102Q96.9Very high96.6Very high107 Ų10754 Ų5450%0.529%0.29SS..EExtended strand (participates in β ladder)trans-135.7148.9-169.9-69.7177.1-10.700111.1P87 R88 K100P87-Q102 HydrophobicContact CB-CB 4.1Å; P87-Q102 HydrophobicContact CG-CB 3.97Å; P87-Q102 VanDerWaalsContact CG-CD 3.45Å; P87-Q102 HydrophobicContact CG-CG 4.01Å; R88-Q102 WeakPolarHBondContact O-CA 3.33Å; K100-Q102 PolarHBondContact O-N 2.87Å
103V97.9Very high96.7Very high7 Ų748.1 Ų48.14%0.04226%0.262CS..EExtended strand (participates in β ladder)trans-139.2151.8175.7-67.10000110.2R88 M93 S109 P110R88-V103 HydrophobicContact CB-CG2 4.35Å; R88-V103 PolarHBondContact N-O 3.41Å; R88-V103 PolarHBondContact O-N 2.83Å; M93-V103 HydrophobicContact CE-CG2 3.97Å; V103-S109 VanDerWaalsContact CG1-C 3.49Å; V103-P110 HydrophobicContact CG1-CG 4.11Å
104A97.6Very high96.9Very high28 Ų2846.2 Ų46.223%0.23125%0.253CS..SBendtrans-75.5-98.3164.400000109.3I54 F81 R88I54-A104 HydrophobicContact CD1-CB 4.48Å; I54-A104 WeakPolarHBondContact CD1-O 3.39Å; F81-A104 HydrophobicContact CB-CB 3.92Å; F81-A104 HydrophobicContact CD1-CB 3.86Å; F81-A104 HydrophobicContact CD2-CB 4.09Å; F81-A104 HydrophobicContact CE1-CB 4.42Å; F81-A104 HydrophobicContact CG-CB 3.67Å; R88-A104 PolarHBondContact NE-O 2.86Å; R88-A104 PolarHBondContact NH2-O 2.82Å
105Y97.3Very high97.1Very high57 Ų5743.1 Ų43.122%0.22424%0.239CC..SBendtrans-99.9-4.9-173.1-49.8-53.1000114.8M1 V49 I54 Q55 G56 F81M1-Y105 HydrophobicContact CE-CD1 3.95Å; M1-Y105 HydrophobicContact CE-CG 4.25Å; V49-Y105 HydrophobicContact CG2-CD1 4.21Å; I54-Y105 HydrophobicContact CD1-CD1 3.81Å; I54-Y105 HydrophobicContact CD1-CE1 3.62Å; I54-Y105 HydrophobicContact CG1-CD1 4.48Å; I54-Y105 HydrophobicContact CG1-CE1 3.94Å; I54-Y105 HydrophobicContact CG2-CD1 4.12Å; I54-Y105 HydrophobicContact CG2-CE1 3.92Å; Q55-Y105 PolarHBondContact O-OH 2.86Å; G56-Y105 VanDerWaalsContact CA-OH 3.31Å; G56-Y105 WeakPolarHBondContact CA-OH 3.37Å; F81-Y105 WeakPolarHBondContact CA-OH 3.44Å; F81-Y105 HydrophobicContact CB-CE2 3.69Å; F81-Y105 PolarHBondContact N-OH 2.66Å
106S97.1Very high97.3Very high59 Ų5944.2 Ų44.241%0.41323%0.23SC..SBendtrans-61147.8178.6-51.30000113.3R88 A108R88-S106 PolarHBondContact NH2-O 3.34Å; S106-A108 PolarHBondContact O-N 3.12Å
107D94.8Very high97.4Very high71 Ų7142 Ų4238%0.3822%0.219SC..SBendtrans-55.4-45.6-171.7-84.912.7000114.1R5 H50R5-D107 IonicContact NH1-OD2 3.4Å; R5-D107 PolarHBondContact NH1-OD2 2.75Å; H50-D107 IonicContact CD2-OD1 2.72Å; H50-D107 IonicContact CE1-OD1 3.95Å; H50-D107 PolarHBondContact CE1-OD1 3.44Å; H50-D107 IonicContact CE1-OD2 3.63Å; H50-D107 IonicContact NE2-OD1 2.89Å; H50-D107 PolarHBondContact NE2-OD1 3.28Å; H50-D107 IonicContact NE2-OD2 2.84Å
108A93.3Very high97.5Very high8 Ų841.9 Ų41.97%0.06622%0.219CC..SBendtrans-154-38177.500000114.7S90 M93 K94 S106S90-A108 WeakPolarHBondContact CB-O 3.42Å; S90-A108 PolarHBondContact OG-O 2.92Å; M93-A108 HydrophobicContact CB-CB 4.39Å; K94-A108 HydrophobicContact CG-CB 4.43Å; S106-A108 PolarHBondContact O-N 3.12Å
109S97.8Very high97.6Very high7 Ų739.7 Ų39.75%0.04921%0.212CC..  trans-107.8147.7-172.3-166.60000112.7V103 F111 Y215 F216V103-S109 VanDerWaalsContact CG1-C 3.49Å; S109-F111 VanDerWaalsContact C-N 3.32Å; S109-F111 PolarHBondContact OG-N 3.21Å; S109-F111 PolarHBondContact OG-O 2.99Å; S109-Y215 WeakPolarHBondContact OG-CB 3.26Å; S109-F216 PolarHBondContact OG-O 2.8Å; S109-F216 VanDerWaalsContact OG-O 3.08Å
110P97Very high97.7Very high33 Ų3339.4 Ų39.421%0.21420%0.204CC..SBendtrans-60.7-39.7168.6-2334.3000112.9V103V103-P110 HydrophobicContact CG1-CG 4.11Å
111F98.6Very high97.8Very high61 Ų6135.3 Ų35.327%0.26819%0.187SC..EExtended strand (participates in β ladder)trans-131.6140.8-178.1-53.5-75.2000111.9S109 N138 L162 Y215 F216 L218S109-F111 VanDerWaalsContact C-N 3.32Å; S109-F111 PolarHBondContact OG-N 3.21Å; S109-F111 PolarHBondContact OG-O 2.99Å; F111-N138 WeakPolarHBondContact CA-OD1 3.24Å; F111-N138 HydrophobicContact CD1-CB 4.48Å; F111-L162 HydrophobicContact CD2-CD2 3.82Å; F111-L162 HydrophobicContact CE2-CD2 3.91Å; F111-L162 HydrophobicContact CG-CD2 4.5Å; F111-Y215 WeakPolarHBondContact O-CA 3.46Å; F111-F216 HydrophobicContact CB-CB 4.22Å; F111-F216 PolarHBondContact N-O 3.04Å; F111-F216 PolarHBondContact O-N 3.06Å; F111-L218 HydrophobicContact CE2-CB 4.16Å; F111-L218 HydrophobicContact CE2-CD1 4.34Å
112L98.8Very high97.9Very high12 Ų1234.9 Ų34.96%0.06319%0.185CC..EExtended strand (participates in β ladder)trans-114.6123.1164.3173.861.2000108.9F135 P137 N138 I139 C168 Y215L112-F135 VanDerWaalsContact CD2-O 3.28Å; L112-F135 WeakPolarHBondContact CD2-O 3.23Å; L112-P137 HydrophobicContact CD2-CB 4.36Å; L112-P137 HydrophobicContact CG-CB 4.14Å; L112-N138 PolarHBondContact N-OD1 3.12Å; L112-N138 PolarHBondContact O-N 3.09Å; L112-I139 PolarHBondContact O-N 3.39Å; L112-C168 HydrophobicContact CD1-CB 3.54Å; L112-Y215 HydrophobicContact CB-CD1 4.3Å; L112-Y215 HydrophobicContact CB-CE1 4.34Å; L112-Y215 HydrophobicContact CD1-CD1 4.09Å; L112-Y215 HydrophobicContact CD1-CE1 4.17Å
113V98.8Very high98Very high1 Ų130.3 Ų30.31%0.00616%0.164CC..EExtended strand (participates in β ladder)trans-107.2139.4175.8179.40000109.2I139 I141 W152 G213 Q214 F216V113-I139 WeakPolarHBondContact CA-O 3.39Å; V113-I139 HydrophobicContact CG2-CB 4.28Å; V113-I139 HydrophobicContact CG2-CD1 4.44Å; V113-I141 HydrophobicContact CG1-CD1 3.69Å; V113-I141 HydrophobicContact CG1-CG1 4.38Å; V113-W152 HydrophobicContact CG1-CZ3 4.27Å; V113-G213 CarbonylContact O-C 3.58Å; V113-G213 WeakPolarHBondContact O-CA 3.45Å; V113-Q214 PolarHBondContact N-O 3.39Å; V113-Q214 PolarHBondContact O-N 2.82Å; V113-F216 HydrophobicContact CB-CD2 3.74Å; V113-F216 HydrophobicContact CB-CE2 3.8Å; V113-F216 HydrophobicContact CG1-CE2 4.32Å; V113-F216 HydrophobicContact CG2-CB 4.32Å; V113-F216 HydrophobicContact CG2-CD2 3.38Å; V113-F216 HydrophobicContact CG2-CE2 3.82Å; V113-F216 HydrophobicContact CG2-CG 3.96Å
114L98.9Very high98Very high2 Ų234 Ų341%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-141.7140.5175.9177.765.3000109.4F135 P137 I139 V140 I141 F212L114-F135 HydrophobicContact CD2-CB 4.17Å; L114-F135 HydrophobicContact CD2-CD2 4.29Å; L114-F135 HydrophobicContact CD2-CG 4.44Å; L114-P137 HydrophobicContact CB-CB 3.86Å; L114-P137 HydrophobicContact CB-CG 4.2Å; L114-P137 HydrophobicContact CD2-CG 4.28Å; L114-I139 PolarHBondContact N-O 3.33Å; L114-I139 VanDerWaalsContact N-O 3.07Å; L114-V140 CarbonylContact O-C 3.59Å; L114-V140 VanDerWaalsContact O-CA 3.24Å; L114-V140 WeakPolarHBondContact O-CA 3.49Å; L114-I141 PolarHBondContact O-N 3.3Å; L114-F212 HydrophobicContact CD1-CD1 3.75Å; L114-F212 HydrophobicContact CD1-CE1 3.39Å; L114-F212 HydrophobicContact CD1-CE2 4.32Å; L114-F212 HydrophobicContact CD1-CG 4.36Å; L114-F212 HydrophobicContact CD1-CZ 3.69Å; L114-F212 HydrophobicContact CD2-CD1 4.36Å; L114-F212 HydrophobicContact CD2-CE1 3.66Å; L114-F212 HydrophobicContact CD2-CZ 4.38Å; L114-F212 HydrophobicContact CG-CE1 4.16Å
115S98.8Very high98Very high0 Ų038.2 Ų38.20%020%0.2CC..EExtended strand (participates in β ladder)trans-89.3149.7172.170.20000112.7A117 S118 L119 I141 C144 E149S115-A117 PolarHBondContact O-N 3.14Å; S115-S118 PolarHBondContact O-N 3.35Å; S115-S118 WeakPolarHBondContact OG-CB 3.38Å; S115-S118 PolarHBondContact OG-N 2.6Å; S115-S118 VanDerWaalsContact OG-N 3.11Å; S115-S118 PolarHBondContact OG-OG 3.41Å; S115-L119 PolarHBondContact O-N 2.93Å; S115-I141 CarbonylContact C-O 3.57Å; S115-I141 VanDerWaalsContact CA-O 3.23Å; S115-I141 WeakPolarHBondContact CA-O 3.48Å; S115-I141 WeakPolarHBondContact CB-O 3.45Å; S115-C144 WeakPolarHBondContact CB-SG 3.45Å; S115-E149 WeakPolarHBondContact CB-OE2 3.4Å; S115-E149 PolarHBondContact N-OE1 2.92Å; S115-E149 VanDerWaalsContact N-OE1 3.15Å; S115-E149 VanDerWaalsContact OG-CD 3.3Å; S115-E149 PolarHBondContact OG-OE1 2.81Å; S115-E149 PolarHBondContact OG-OE2 3.15Å
116E98.8Very high98.1Very high107 Ų10736.3 Ų36.350%0.519%0.194SC..Hα-helixtrans-61.4-36171.3-65.1-170.5149.400111.4S118 L119 E120 V140 I141 S142E116-S118 PolarHBondContact O-N 3.29Å; E116-L119 WeakPolarHBondContact O-CB 3.44Å; E116-L119 PolarHBondContact O-N 2.81Å; E116-E120 PolarHBondContact O-N 2.83Å; E116-V140 HydrophobicContact CG-CG1 3.57Å; E116-I141 PolarHBondContact N-O 2.97Å; E116-S142 WeakPolarHBondContact OE2-CB 3.41Å
117A98.8Very high98Very high22 Ų2243.6 Ų43.618%0.18222%0.221CC..Hα-helixtrans-63.2-41.7178.200000112S115 L119 E120 D121 C144 V146S115-A117 PolarHBondContact O-N 3.14Å; A117-L119 VanDerWaalsContact C-N 3.35Å; A117-E120 PolarHBondContact O-N 2.81Å; A117-D121 PolarHBondContact O-N 3.18Å; A117-C144 WeakPolarHBondContact CB-O 3.5Å; A117-V146 HydrophobicContact CB-CG2 4.16Å
118S98.9Very high98.1Very high0 Ų048 Ų480%023%0.233CC..Hα-helixtrans-62-40.7172.7-66.40000112.6S115 E116 L122 Y147 E149 F212S115-S118 PolarHBondContact O-N 3.35Å; S115-S118 WeakPolarHBondContact OG-CB 3.38Å; S115-S118 PolarHBondContact OG-N 2.6Å; S115-S118 VanDerWaalsContact OG-N 3.11Å; S115-S118 PolarHBondContact OG-OG 3.41Å; E116-S118 PolarHBondContact O-N 3.29Å; S118-L122 PolarHBondContact O-N 3.04Å; S118-L122 VanDerWaalsContact O-N 3.13Å; S118-Y147 VanDerWaalsContact OG-CA 3.25Å; S118-Y147 WeakPolarHBondContact OG-CA 3.47Å; S118-Y147 WeakPolarHBondContact OG-CD1 3.42Å; S118-Y147 PolarHBondContact OG-N 3.08Å; S118-E149 VanDerWaalsContact CB-OE1 3.26Å; S118-E149 WeakPolarHBondContact CB-OE1 3.48Å; S118-E149 PolarHBondContact OG-OE1 3.35Å; S118-E149 PolarHBondContact OG-OE2 2.68Å; S118-F212 VanDerWaalsContact O-CE2 3.3Å; S118-F212 WeakPolarHBondContact O-CE2 3.36Å; S118-F212 WeakPolarHBondContact O-CZ 3.19Å
119L98.9Very high98.3Very high24 Ų2454.5 Ų54.513%0.12626%0.255CS..Hα-helixtrans-65.5-40.6176-177.263.4000112.1S115 E116 A117 L122 N123 V130 A132 F135S115-L119 PolarHBondContact O-N 2.93Å; E116-L119 WeakPolarHBondContact O-CB 3.44Å; E116-L119 PolarHBondContact O-N 2.81Å; A117-L119 VanDerWaalsContact C-N 3.35Å; L119-L122 PolarHBondContact O-N 3.15Å; L119-N123 WeakPolarHBondContact O-CB 3.37Å; L119-N123 PolarHBondContact O-N 2.79Å; L119-N123 PolarHBondContact O-ND2 2.98Å; L119-V130 HydrophobicContact CD1-CG2 4.23Å; L119-A132 HydrophobicContact CD2-CB 4.03Å; L119-F135 HydrophobicContact CD1-CD2 3.97Å; L119-F135 HydrophobicContact CD1-CE2 3.6Å
120E98.8Very high98.3Very high95 Ų9555.1 Ų55.144%0.44426%0.259SS..Hα-helixtrans-67.4-42.8177.4-169.956.6-14800112E116 A117 L122 N123 S124 R129E116-E120 PolarHBondContact O-N 2.83Å; A117-E120 PolarHBondContact O-N 2.81Å; E120-L122 VanDerWaalsContact C-N 3.33Å; E120-L122 PolarHBondContact O-N 3.11Å; E120-N123 CarbonylContact O-C 3.59Å; E120-N123 PolarHBondContact O-N 3.49Å; E120-N123 VanDerWaalsContact O-N 3.13Å; E120-S124 PolarHBondContact O-N 2.98Å; E120-R129 IonicContact OE1-CZ 3.86Å; E120-R129 IonicContact OE1-NH1 3.44Å; E120-R129 PolarHBondContact OE1-NH1 2.88Å; E120-R129 IonicContact OE1-NH2 2.64Å; E120-R129 PolarHBondContact OE1-NH2 2.78Å; E120-R129 IonicContact OE2-CZ 3.93Å; E120-R129 IonicContact OE2-NH2 2.88Å; E120-R129 PolarHBondContact OE2-NH2 3.37Å
121D98.9Very high98.3Very high32 Ų3258.6 Ų58.617%0.17127%0.271CS..Hα-helixtrans-59.5-44.9175.9-179.196.8000111.2A117 N123 S124 R125 V146 Y147A117-D121 PolarHBondContact O-N 3.18Å; D121-N123 PolarHBondContact O-N 3.27Å; D121-S124 PolarHBondContact O-N 2.92Å; D121-S124 PolarHBondContact O-OG 2.8Å; D121-R125 VanDerWaalsContact CG-NH2 3.3Å; D121-R125 WeakPolarHBondContact O-CG 3.26Å; D121-R125 IonicContact OD1-CZ 3.11Å; D121-R125 IonicContact OD1-NE 3.26Å; D121-R125 IonicContact OD1-NH2 2.68Å; D121-R125 PolarHBondContact OD1-NH2 2.85Å; D121-R125 IonicContact OD2-CZ 3.73Å; D121-R125 IonicContact OD2-NE 3.89Å; D121-R125 PolarHBondContact OD2-NE 3.06Å; D121-R125 IonicContact OD2-NH2 2.73Å; D121-R125 PolarHBondContact OD2-NH2 3.08Å; D121-V146 HydrophobicContact CB-CB 4.47Å; D121-V146 HydrophobicContact CB-CG1 3.44Å; D121-V146 VanDerWaalsContact CB-CG1 3.44Å; D121-V146 HydrophobicContact CB-CG2 4.14Å; D121-Y147 PolarHBondContact OD2-OH 2.92Å
122L98.8Very high98.3Very high0 Ų056.8 Ų56.80%027%0.267CS..Hα-helixtrans-60.7-45174175.860.3000111.6S118 L119 E120 S124 R125 L126 V130 F135 P188 T191 L192 Y195 F212S118-L122 PolarHBondContact O-N 3.04Å; S118-L122 VanDerWaalsContact O-N 3.13Å; L119-L122 PolarHBondContact O-N 3.15Å; E120-L122 VanDerWaalsContact C-N 3.33Å; E120-L122 PolarHBondContact O-N 3.11Å; L122-S124 VanDerWaalsContact C-N 3.25Å; L122-S124 PolarHBondContact O-N 2.93Å; L122-R125 WeakPolarHBondContact O-CB 3.31Å; L122-R125 PolarHBondContact O-N 3.13Å; L122-L126 HydrophobicContact CD1-CD1 4.07Å; L122-L126 HydrophobicContact CD1-CG 4.25Å; L122-L126 HydrophobicContact CD2-CD1 4.47Å; L122-L126 HydrophobicContact CG-CD1 3.82Å; L122-L126 HydrophobicContact CG-CG 4.45Å; L122-L126 WeakPolarHBondContact O-CG 3.3Å; L122-L126 PolarHBondContact O-N 2.79Å; L122-V130 HydrophobicContact CD2-CG2 4.22Å; L122-F135 HydrophobicContact CD2-CE1 4.09Å; L122-F135 HydrophobicContact CD2-CE2 4.01Å; L122-F135 HydrophobicContact CD2-CZ 3.33Å; L122-P188 HydrophobicContact CD2-CB 4.21Å; L122-T191 HydrophobicContact CD1-CG2 3.91Å; L122-L192 HydrophobicContact CD1-CD2 3.91Å; L122-L192 HydrophobicContact CD1-CG 3.88Å; L122-L192 HydrophobicContact CD2-CD1 4.17Å; L122-L192 HydrophobicContact CD2-CD2 4.07Å; L122-L192 HydrophobicContact CD2-CG 4.08Å; L122-Y195 HydrophobicContact CD1-CE1 4.26Å; L122-F212 HydrophobicContact CB-CE2 4.09Å; L122-F212 HydrophobicContact CB-CZ 4.2Å; L122-F212 HydrophobicContact CD2-CE1 4.26Å; L122-F212 HydrophobicContact CD2-CE2 4.18Å; L122-F212 HydrophobicContact CD2-CZ 3.98Å
123N98.8Very high98.2Very high10 Ų1060 Ų605%0.05329%0.287CS..Hα-helixtrans-62.9-30.1178.8-83.2-37.3000113.4L119 E120 D121 R125 L126 R129 V130L119-N123 WeakPolarHBondContact O-CB 3.37Å; L119-N123 PolarHBondContact O-N 2.79Å; L119-N123 PolarHBondContact O-ND2 2.98Å; E120-N123 CarbonylContact O-C 3.59Å; E120-N123 PolarHBondContact O-N 3.49Å; E120-N123 VanDerWaalsContact O-N 3.13Å; D121-N123 PolarHBondContact O-N 3.27Å; N123-R125 PolarHBondContact O-N 3.31Å; N123-L126 PolarHBondContact O-N 2.66Å; N123-R129 HydrophobicContact CB-CG 4.35Å; N123-R129 VanDerWaalsContact OD1-CA 3.25Å; N123-R129 WeakPolarHBondContact OD1-CA 3.19Å; N123-V130 PolarHBondContact ND2-O 3.08Å; N123-V130 WeakPolarHBondContact OD1-CG2 3.17Å; N123-V130 PolarHBondContact OD1-N 2.96Å; N123-V130 PolarHBondContact OD1-O 3.33Å
124S98.7Very high98.2Very high85 Ų8560.7 Ų60.759%0.59429%0.291SS*.Hα-helixtrans-66.8-17.3174.680.30000113.5E120 D121 L122E120-S124 PolarHBondContact O-N 2.98Å; D121-S124 PolarHBondContact O-N 2.92Å; D121-S124 PolarHBondContact O-OG 2.8Å; L122-S124 VanDerWaalsContact C-N 3.25Å; L122-S124 PolarHBondContact O-N 2.93Å
125R98.6Very high98.2Very high116 Ų11660.7 Ų60.744%0.43829%0.291SS..THydrogen-bonded Turntrans-103-0.5-179.2-55.7170.8-165.2-106.1-2.5113.1D121 L122 N123 T191 Y195D121-R125 VanDerWaalsContact CG-NH2 3.3Å; D121-R125 WeakPolarHBondContact O-CG 3.26Å; D121-R125 IonicContact OD1-CZ 3.11Å; D121-R125 IonicContact OD1-NE 3.26Å; D121-R125 IonicContact OD1-NH2 2.68Å; D121-R125 PolarHBondContact OD1-NH2 2.85Å; D121-R125 IonicContact OD2-CZ 3.73Å; D121-R125 IonicContact OD2-NE 3.89Å; D121-R125 PolarHBondContact OD2-NE 3.06Å; D121-R125 IonicContact OD2-NH2 2.73Å; D121-R125 PolarHBondContact OD2-NH2 3.08Å; L122-R125 WeakPolarHBondContact O-CB 3.31Å; L122-R125 PolarHBondContact O-N 3.13Å; N123-R125 PolarHBondContact O-N 3.31Å; R125-T191 HydrophobicContact CB-CG2 3.84Å; R125-Y195 VanDerWaalsContact CZ-CE2 3.42Å
126L98Very high98.1Very high18 Ų1868.1 Ų68.19%0.09432%0.319CS..  trans-112.1139.5-175.2-69.4170.4000111.2L122 N123 R128 V130 E187 P188 T191L122-L126 HydrophobicContact CD1-CD1 4.07Å; L122-L126 HydrophobicContact CD1-CG 4.25Å; L122-L126 HydrophobicContact CD2-CD1 4.47Å; L122-L126 HydrophobicContact CG-CD1 3.82Å; L122-L126 HydrophobicContact CG-CG 4.45Å; L122-L126 WeakPolarHBondContact O-CG 3.3Å; L122-L126 PolarHBondContact O-N 2.79Å; N123-L126 PolarHBondContact O-N 2.66Å; L126-R128 WeakPolarHBondContact CB-O 3.46Å; L126-V130 HydrophobicContact CD1-CG1 4.12Å; L126-V130 HydrophobicContact CD1-CG2 3.71Å; L126-E187 HydrophobicContact CD2-CB 4.44Å; L126-E187 WeakPolarHBondContact CD2-OE2 3.4Å; L126-P188 HydrophobicContact CD1-CB 3.76Å; L126-P188 HydrophobicContact CD2-CB 4.04Å; L126-T191 HydrophobicContact CD2-CG2 3.95Å; L126-T191 WeakPolarHBondContact CD2-OG1 3.41Å; L126-T191 HydrophobicContact CG-CG2 4.42Å
127E96.3Very high98.1Very high212 Ų21264.2 Ų64.299%0.99130%0.303SS*.SBendtrans-65.6-43168.8-64.2-177.9174.500111.2
128R95.7Very high98.1Very high163 Ų16368.1 Ų68.162%0.61532%0.321SS*.SBendtrans-109115175.9-174.6179179.8-165.5-2.6109.8L126 D177L126-R128 WeakPolarHBondContact CB-O 3.46Å; R128-D177 IonicContact CZ-OD2 3.32Å; R128-D177 IonicContact NH1-OD2 3.46Å; R128-D177 PolarHBondContact NH1-OD2 2.72Å; R128-D177 IonicContact NH2-OD2 2.71Å; R128-D177 PolarHBondContact NH2-OD2 3.41Å
129R97.6Very high98.1Very high144 Ų14469.1 Ų69.154%0.54333%0.326SS..  trans-63.6145178.1-59.2-177.771.1114.5-1.7111.5E120 N123E120-R129 IonicContact OE1-CZ 3.86Å; E120-R129 IonicContact OE1-NH1 3.44Å; E120-R129 PolarHBondContact OE1-NH1 2.88Å; E120-R129 IonicContact OE1-NH2 2.64Å; E120-R129 PolarHBondContact OE1-NH2 2.78Å; E120-R129 IonicContact OE2-CZ 3.93Å; E120-R129 IonicContact OE2-NH2 2.88Å; E120-R129 PolarHBondContact OE2-NH2 3.37Å; N123-R129 HydrophobicContact CB-CG 4.35Å; N123-R129 VanDerWaalsContact OD1-CA 3.25Å; N123-R129 WeakPolarHBondContact OD1-CA 3.19Å
130V98.2Very high98.1Very high20 Ų2071 Ų7112%0.12134%0.338CS..  trans-114.7158176.9-65.90000110.7L119 L122 N123 L126 N134 F135 P188L119-V130 HydrophobicContact CD1-CG2 4.23Å; L122-V130 HydrophobicContact CD2-CG2 4.22Å; N123-V130 PolarHBondContact ND2-O 3.08Å; N123-V130 WeakPolarHBondContact OD1-CG2 3.17Å; N123-V130 PolarHBondContact OD1-N 2.96Å; N123-V130 PolarHBondContact OD1-O 3.33Å; L126-V130 HydrophobicContact CD1-CG1 4.12Å; L126-V130 HydrophobicContact CD1-CG2 3.71Å; V130-N134 HydrophobicContact CB-CB 4.36Å; V130-F135 HydrophobicContact CB-CE2 4.37Å; V130-F135 HydrophobicContact CG2-CE2 3.67Å; V130-F135 HydrophobicContact CG2-CZ 3.88Å; V130-P188 HydrophobicContact CG1-CB 4.12Å; V130-P188 HydrophobicContact CG1-CG 4.02Å; V130-P188 HydrophobicContact CG2-CB 4.39Å; V130-P188 HydrophobicContact CG2-CG 4.43Å
131K97.9Very high98.1Very high106 Ų10667.1 Ų67.146%0.46132%0.32SS..  trans-103.3164.5179.7-64.4172.5-177.4168.60110.2T133 N134 F135 D179K131-T133 WeakPolarHBondContact CB-OG1 3.4Å; K131-T133 PolarHBondContact O-N 2.83Å; K131-T133 VanDerWaalsContact O-N 3.13Å; K131-N134 PolarHBondContact N-OD1 2.86Å; K131-N134 WeakPolarHBondContact O-CB 3.34Å; K131-N134 PolarHBondContact O-N 3.16Å; K131-N134 VanDerWaalsContact O-N 3.07Å; K131-N134 PolarHBondContact O-OD1 3.26Å; K131-F135 WeakPolarHBondContact O-CD2 3.47Å; K131-D179 IonicContact NZ-OD1 3.91Å; K131-D179 PolarHBondContact NZ-OD1 3.11Å; K131-D179 IonicContact NZ-OD2 3.25Å; K131-D179 PolarHBondContact NZ-OD2 3.06Å
132A98.3Very high98Very high24 Ų2469.1 Ų69.120%0.19834%0.337CS..Hα-helixtrans-54.8-31.6170.900000112L119 N134 F135 R136 P137 V140L119-A132 HydrophobicContact CD2-CB 4.03Å; A132-N134 VanDerWaalsContact C-N 3.27Å; A132-N134 PolarHBondContact O-N 3.4Å; A132-F135 CarbonylContact O-C 3.55Å; A132-F135 WeakPolarHBondContact O-CA 3.47Å; A132-F135 PolarHBondContact O-N 2.87Å; A132-R136 PolarHBondContact O-N 3.47Å; A132-P137 HydrophobicContact CB-CG 4.18Å; A132-P137 WeakPolarHBondContact O-CD 3.41Å; A132-V140 HydrophobicContact CB-CG2 4.14Å
133T97Very high98Very high79 Ų7973.4 Ų73.449%0.48538%0.381SS..Hα-helixtrans-62.1-27.1178.1490000114K131 F135 R136 P178K131-T133 WeakPolarHBondContact CB-OG1 3.4Å; K131-T133 PolarHBondContact O-N 2.83Å; K131-T133 VanDerWaalsContact O-N 3.13Å; T133-F135 PolarHBondContact O-N 3.43Å; T133-R136 WeakPolarHBondContact O-CG 3.42Å; T133-R136 PolarHBondContact O-N 3.29Å; T133-P178 WeakPolarHBondContact OG1-CG 3.34Å
134N97.8Very high98Very high16 Ų1674.7 Ų74.79%0.08639%0.39CS..Hα-helixtrans-61.2-28.4169.2-66.982.3000111.6V130 K131 A132 T174 V176V130-N134 HydrophobicContact CB-CB 4.36Å; K131-N134 PolarHBondContact N-OD1 2.86Å; K131-N134 WeakPolarHBondContact O-CB 3.34Å; K131-N134 PolarHBondContact O-N 3.16Å; K131-N134 VanDerWaalsContact O-N 3.07Å; K131-N134 PolarHBondContact O-OD1 3.26Å; A132-N134 VanDerWaalsContact C-N 3.27Å; A132-N134 PolarHBondContact O-N 3.4Å; N134-T174 PolarHBondContact ND2-O 2.96Å; N134-T174 WeakPolarHBondContact O-CA 3.4Å; N134-V176 PolarHBondContact ND2-O 3.01Å
135F98.3Very high98Very high2 Ų272.9 Ų72.91%0.00939%0.385CS..Hα-helixtrans-102.4-13.5-176.9-54-74.9000114.4L112 L114 L119 L122 V130 K131 A132 T133 P137 R170 T174 P188 L192 F212L112-F135 VanDerWaalsContact CD2-O 3.28Å; L112-F135 WeakPolarHBondContact CD2-O 3.23Å; L114-F135 HydrophobicContact CD2-CB 4.17Å; L114-F135 HydrophobicContact CD2-CD2 4.29Å; L114-F135 HydrophobicContact CD2-CG 4.44Å; L119-F135 HydrophobicContact CD1-CD2 3.97Å; L119-F135 HydrophobicContact CD1-CE2 3.6Å; L122-F135 HydrophobicContact CD2-CE1 4.09Å; L122-F135 HydrophobicContact CD2-CE2 4.01Å; L122-F135 HydrophobicContact CD2-CZ 3.33Å; V130-F135 HydrophobicContact CB-CE2 4.37Å; V130-F135 HydrophobicContact CG2-CE2 3.67Å; V130-F135 HydrophobicContact CG2-CZ 3.88Å; K131-F135 WeakPolarHBondContact O-CD2 3.47Å; A132-F135 CarbonylContact O-C 3.55Å; A132-F135 WeakPolarHBondContact O-CA 3.47Å; A132-F135 PolarHBondContact O-N 2.87Å; T133-F135 PolarHBondContact O-N 3.43Å; F135-P137 VanDerWaalsContact C-CD 3.41Å; F135-R170 VanDerWaalsContact C-NH2 3.32Å; F135-R170 PolarHBondContact O-NH2 3.25Å; F135-T174 HydrophobicContact CD1-CG2 3.73Å; F135-T174 HydrophobicContact CE1-CG2 3.89Å; F135-P188 HydrophobicContact CE1-CG 4.02Å; F135-P188 HydrophobicContact CZ-CB 4.44Å; F135-P188 HydrophobicContact CZ-CG 3.72Å; F135-L192 HydrophobicContact CE1-CD1 3.93Å; F135-F212 AromaticContact CD1-CD1 3.54Å; F135-F212 HydrophobicContact CD1-CD1 3.54Å; F135-F212 AromaticContact CD1-CE1 3.89Å; F135-F212 HydrophobicContact CD1-CE1 3.89Å; F135-F212 HydrophobicContact CD2-CD1 4.23Å; F135-F212 AromaticContact CD2-CE1 3.73Å; F135-F212 HydrophobicContact CD2-CE1 3.73Å; F135-F212 AromaticContact CE1-CD1 3.75Å; F135-F212 HydrophobicContact CE1-CD1 3.75Å; F135-F212 AromaticContact CE1-CE1 3.97Å; F135-F212 HydrophobicContact CE1-CE1 3.97Å; F135-F212 HydrophobicContact CE2-CD1 4.4Å; F135-F212 AromaticContact CE2-CE1 3.8Å; F135-F212 HydrophobicContact CE2-CE1 3.8Å; F135-F212 AromaticContact CG-CD1 3.81Å; F135-F212 HydrophobicContact CG-CD1 3.81Å; F135-F212 AromaticContact CG-CE1 3.78Å; F135-F212 HydrophobicContact CG-CE1 3.78Å; F135-F212 HydrophobicContact CZ-CD1 4.19Å; F135-F212 AromaticContact CZ-CE1 3.93Å; F135-F212 HydrophobicContact CZ-CE1 3.93Å
136R97.6Very high98Very high156 Ų15670.8 Ų70.859%0.58939%0.385SS*.  trans55.242.2174.6-50.4168.361.479.21.4114.2A132 T133A132-R136 PolarHBondContact O-N 3.47Å; T133-R136 WeakPolarHBondContact O-CG 3.42Å; T133-R136 PolarHBondContact O-N 3.29Å
137P98.6Very high98Very high25 Ų2571.7 Ų71.716%0.16239%0.387CS..  trans-66.4154.3172.833.4-35.5000110.6L112 L114 A132 F135 V140L112-P137 HydrophobicContact CD2-CB 4.36Å; L112-P137 HydrophobicContact CG-CB 4.14Å; L114-P137 HydrophobicContact CB-CB 3.86Å; L114-P137 HydrophobicContact CB-CG 4.2Å; L114-P137 HydrophobicContact CD2-CG 4.28Å; A132-P137 HydrophobicContact CB-CG 4.18Å; A132-P137 WeakPolarHBondContact O-CD 3.41Å; F135-P137 VanDerWaalsContact C-CD 3.41Å; P137-V140 HydrophobicContact CB-CG2 4.23Å; P137-V140 HydrophobicContact CG-CG2 3.54Å
138N98.5Very high98.1Very high104 Ų10462.6 Ų62.656%0.55635%0.348SS*.SBendtrans-84.7-38.1169.3-58.498.6000110.8F111 L112F111-N138 WeakPolarHBondContact CA-OD1 3.24Å; F111-N138 HydrophobicContact CD1-CB 4.48Å; L112-N138 PolarHBondContact N-OD1 3.12Å; L112-N138 PolarHBondContact O-N 3.09Å
139I98.8Very high98.2Very high21 Ų2154.8 Ų54.811%0.10832%0.319CS..EExtended strand (participates in β ladder)trans-126.4126.6-176.8-54.3173.5000108L112 V113 L114 I141 I157 L162 I224L112-I139 PolarHBondContact O-N 3.39Å; V113-I139 WeakPolarHBondContact CA-O 3.39Å; V113-I139 HydrophobicContact CG2-CB 4.28Å; V113-I139 HydrophobicContact CG2-CD1 4.44Å; L114-I139 PolarHBondContact N-O 3.33Å; L114-I139 VanDerWaalsContact N-O 3.07Å; I139-I141 HydrophobicContact CG2-CD1 4.24Å; I139-I141 HydrophobicContact CG2-CG1 3.93Å; I139-I157 HydrophobicContact CG2-CD1 4.44Å; I139-L162 HydrophobicContact CD1-CD1 3.72Å; I139-I224 HydrophobicContact CD1-CD1 3.59Å; I139-I224 HydrophobicContact CG1-CD1 3.88Å
140V98.8Very high98.3Very high64 Ų6449.9 Ų49.939%0.38830%0.303SS..EExtended strand (participates in β ladder)trans-111.1126.9172.8-178.70000108.5L114 E116 A132 P137L114-V140 CarbonylContact O-C 3.59Å; L114-V140 VanDerWaalsContact O-CA 3.24Å; L114-V140 WeakPolarHBondContact O-CA 3.49Å; E116-V140 HydrophobicContact CG-CG1 3.57Å; A132-V140 HydrophobicContact CB-CG2 4.14Å; P137-V140 HydrophobicContact CB-CG2 4.23Å; P137-V140 HydrophobicContact CG-CG2 3.54Å
141I98.6Very high98.2Very high12 Ų1252.3 Ų52.36%0.06232%0.321CS..EExtended strand (participates in β ladder)trans-114125.5-174.6-65.3171.9000110.3V113 L114 S115 E116 I139 W152 I157 V230V113-I141 HydrophobicContact CG1-CD1 3.69Å; V113-I141 HydrophobicContact CG1-CG1 4.38Å; L114-I141 PolarHBondContact O-N 3.3Å; S115-I141 CarbonylContact C-O 3.57Å; S115-I141 VanDerWaalsContact CA-O 3.23Å; S115-I141 WeakPolarHBondContact CA-O 3.48Å; S115-I141 WeakPolarHBondContact CB-O 3.45Å; E116-I141 PolarHBondContact N-O 2.97Å; I139-I141 HydrophobicContact CG2-CD1 4.24Å; I139-I141 HydrophobicContact CG2-CG1 3.93Å; I141-W152 HydrophobicContact CB-CH2 4.18Å; I141-W152 HydrophobicContact CB-CZ3 4.3Å; I141-W152 HydrophobicContact CD1-CE3 4.39Å; I141-W152 HydrophobicContact CD1-CH2 4.26Å; I141-W152 HydrophobicContact CD1-CZ3 3.62Å; I141-W152 HydrophobicContact CG2-CH2 3.81Å; I141-W152 HydrophobicContact CG2-CZ3 4.27Å; I141-I157 HydrophobicContact CD1-CD1 4.38Å; I141-V230 HydrophobicContact CD1-CG1 4.15Å; I141-V230 HydrophobicContact CD1-CG2 3.96Å; I141-V230 HydrophobicContact CG1-CG2 4.12Å; I141-V230 HydrophobicContact CG2-CG2 4.1Å
142S98.5Very high98.2Very high75 Ų7548 Ų4852%0.52430%0.302SS..  trans-94.5172.5174.363.40000111.7E116 C144E116-S142 WeakPolarHBondContact OE2-CB 3.41Å; S142-C144 PolarHBondContact O-N 3.08Å
143G97.9Very high98.1Very high89 Ų8951.6 Ų51.692%0.91832%0.318SS*.SBendtrans73.925.4167.500000115.7
144C98.1Very high98.2Very high38 Ų3850.9 Ų50.926%0.25731%0.309SS..SBendtrans-131.3171.3176.860.80000111.8S115 A117 S142 A148 W152S115-C144 WeakPolarHBondContact CB-SG 3.45Å; A117-C144 WeakPolarHBondContact CB-O 3.5Å; S142-C144 PolarHBondContact O-N 3.08Å; C144-A148 HydrophobicContact CB-CB 3.9Å; C144-W152 HydrophobicContact CB-CH2 4.28Å; C144-W152 HydrophobicContact CB-CZ2 3.78Å
145G98.6Very high98.2Very high46 Ų4650.1 Ų50.147%0.47431%0.305SS..  trans-70.6160.9175.400000112.9Y147 A148G145-Y147 PolarHBondContact O-N 3.14Å; G145-A148 WeakPolarHBondContact O-CB 3.27Å; G145-A148 PolarHBondContact O-N 3.2Å
146V98.7Very high98.2Very high73 Ų7352.1 Ų52.144%0.44232%0.316SS..THydrogen-bonded Turntrans-56.5127.2174.3178.10000109.6A117 D121 A148A117-V146 HydrophobicContact CB-CG2 4.16Å; D121-V146 HydrophobicContact CB-CB 4.47Å; D121-V146 HydrophobicContact CB-CG1 3.44Å; D121-V146 VanDerWaalsContact CB-CG1 3.44Å; D121-V146 HydrophobicContact CB-CG2 4.14Å; V146-A148 PolarHBondContact O-N 3.28Å
147Y98.7Very high98.3Very high36 Ų3645 Ų4514%0.14129%0.289CS..THydrogen-bonded Turntrans59.118.7-176-49.1-53.7000115.8S118 D121 G145 E149 D150 Y195 F212S118-Y147 VanDerWaalsContact OG-CA 3.25Å; S118-Y147 WeakPolarHBondContact OG-CA 3.47Å; S118-Y147 WeakPolarHBondContact OG-CD1 3.42Å; S118-Y147 PolarHBondContact OG-N 3.08Å; D121-Y147 PolarHBondContact OD2-OH 2.92Å; G145-Y147 PolarHBondContact O-N 3.14Å; Y147-E149 WeakPolarHBondContact CA-OE2 3.1Å; Y147-E149 PolarHBondContact O-N 3.17Å; Y147-E149 VanDerWaalsContact O-N 3.1Å; Y147-D150 WeakPolarHBondContact O-CB 3.29Å; Y147-D150 PolarHBondContact O-N 3.39Å; Y147-Y195 HydrophobicContact CE2-CE2 4.26Å; Y147-Y195 AromaticContact CZ-CE2 3.99Å; Y147-Y195 WeakPolarHBondContact OH-CE2 3.32Å; Y147-Y195 PolarHBondContact OH-OH 2.69Å; Y147-F212 HydrophobicContact CE1-CD2 4.17Å; Y147-F212 AromaticContact CE1-CE2 3.96Å; Y147-F212 HydrophobicContact CE1-CE2 3.96Å
148A98.4Very high98.2Very high21 Ų2145.4 Ų45.417%0.17430%0.298CS..G310 helixtrans-54.7-33.4178.500000112C144 G145 V146 D150 S151 W152C144-A148 HydrophobicContact CB-CB 3.9Å; G145-A148 WeakPolarHBondContact O-CB 3.27Å; G145-A148 PolarHBondContact O-N 3.2Å; V146-A148 PolarHBondContact O-N 3.28Å; A148-D150 PolarHBondContact O-N 3.12Å; A148-D150 VanDerWaalsContact O-N 3.14Å; A148-S151 PolarHBondContact O-N 3.35Å; A148-S151 PolarHBondContact O-OG 3.13Å; A148-W152 HydrophobicContact CB-CZ2 3.61Å; A148-W152 VanDerWaalsContact O-CD1 3.24Å; A148-W152 PolarHBondContact O-NE1 3.27Å; A148-W152 VanDerWaalsContact O-NE1 3.17Å
149E98.4Very high98Very high0 Ų046.2 Ų46.20%030%0.302CS..G310 helixtrans-57.6-27178.369.3-89.8-145.700114.4S115 S118 Y147 S151 W152 Q214S115-E149 WeakPolarHBondContact CB-OE2 3.4Å; S115-E149 PolarHBondContact N-OE1 2.92Å; S115-E149 VanDerWaalsContact N-OE1 3.15Å; S115-E149 VanDerWaalsContact OG-CD 3.3Å; S115-E149 PolarHBondContact OG-OE1 2.81Å; S115-E149 PolarHBondContact OG-OE2 3.15Å; S118-E149 VanDerWaalsContact CB-OE1 3.26Å; S118-E149 WeakPolarHBondContact CB-OE1 3.48Å; S118-E149 PolarHBondContact OG-OE1 3.35Å; S118-E149 PolarHBondContact OG-OE2 2.68Å; Y147-E149 WeakPolarHBondContact CA-OE2 3.1Å; Y147-E149 PolarHBondContact O-N 3.17Å; Y147-E149 VanDerWaalsContact O-N 3.1Å; E149-S151 PolarHBondContact O-N 3.02Å; E149-W152 VanDerWaalsContact CA-CD2 3.44Å; E149-W152 VanDerWaalsContact CA-CE3 3.42Å; E149-W152 HydrophobicContact CB-CD2 4.15Å; E149-W152 HydrophobicContact CB-CE3 3.57Å; E149-W152 HydrophobicContact CB-CH2 3.94Å; E149-W152 HydrophobicContact CB-CZ2 4.49Å; E149-W152 HydrophobicContact CB-CZ3 3.43Å; E149-W152 VanDerWaalsContact CB-CZ3 3.43Å; E149-W152 PolarHBondContact O-N 3.38Å; E149-Q214 HydrophobicContact CB-CG 4.19Å; E149-Q214 HydrophobicContact CG-CG 3.79Å; E149-Q214 WeakPolarHBondContact O-CG 3.18Å
150D98.2Very high98Very high40 Ų4045.7 Ų45.721%0.21430%0.3CS..G310 helixtrans-61.9-27.2179.1-65.8-9.2000111.7Y147 A148 R164 R196 Q214Y147-D150 WeakPolarHBondContact O-CB 3.29Å; Y147-D150 PolarHBondContact O-N 3.39Å; A148-D150 PolarHBondContact O-N 3.12Å; A148-D150 VanDerWaalsContact O-N 3.14Å; D150-R164 PolarHBondContact O-NE 3.32Å; D150-R196 IonicContact OD1-NH2 3.82Å; D150-R196 PolarHBondContact OD1-NH2 2.9Å; D150-R196 IonicContact OD2-CZ 2.99Å; D150-R196 IonicContact OD2-NH1 2.69Å; D150-R196 PolarHBondContact OD2-NH1 2.89Å; D150-R196 IonicContact OD2-NH2 2.79Å; D150-R196 PolarHBondContact OD2-NH2 2.99Å; D150-Q214 PolarHBondContact OD1-NE2 2.65Å
151S97.2Very high98Very high71 Ų7146.2 Ų46.250%0.49730%0.298SS..G310 helixtrans-96.4-12.3-177.271.20000114.5A148 E149 N153A148-S151 PolarHBondContact O-N 3.35Å; A148-S151 PolarHBondContact O-OG 3.13Å; E149-S151 PolarHBondContact O-N 3.02Å; S151-N153 PolarHBondContact O-N 2.91Å
152W97.4Very high98Very high16 Ų1645.8 Ų45.86%0.06130%0.296CS..  trans-75.9109.7-175.2-59.5-17.2000110V113 I141 C144 A148 E149 V155 R164 F216 L232V113-W152 HydrophobicContact CG1-CZ3 4.27Å; I141-W152 HydrophobicContact CB-CH2 4.18Å; I141-W152 HydrophobicContact CB-CZ3 4.3Å; I141-W152 HydrophobicContact CD1-CE3 4.39Å; I141-W152 HydrophobicContact CD1-CH2 4.26Å; I141-W152 HydrophobicContact CD1-CZ3 3.62Å; I141-W152 HydrophobicContact CG2-CH2 3.81Å; I141-W152 HydrophobicContact CG2-CZ3 4.27Å; C144-W152 HydrophobicContact CB-CH2 4.28Å; C144-W152 HydrophobicContact CB-CZ2 3.78Å; A148-W152 HydrophobicContact CB-CZ2 3.61Å; A148-W152 VanDerWaalsContact O-CD1 3.24Å; A148-W152 PolarHBondContact O-NE1 3.27Å; A148-W152 VanDerWaalsContact O-NE1 3.17Å; E149-W152 VanDerWaalsContact CA-CD2 3.44Å; E149-W152 VanDerWaalsContact CA-CE3 3.42Å; E149-W152 HydrophobicContact CB-CD2 4.15Å; E149-W152 HydrophobicContact CB-CE3 3.57Å; E149-W152 HydrophobicContact CB-CH2 3.94Å; E149-W152 HydrophobicContact CB-CZ2 4.49Å; E149-W152 HydrophobicContact CB-CZ3 3.43Å; E149-W152 VanDerWaalsContact CB-CZ3 3.43Å; E149-W152 PolarHBondContact O-N 3.38Å; W152-V155 HydrophobicContact CB-CG1 3.79Å; W152-V155 HydrophobicContact CD2-CG1 4.38Å; W152-V155 HydrophobicContact CE3-CG1 4.29Å; W152-V155 HydrophobicContact CG-CG1 4.23Å; W152-R164 WeakPolarHBondContact O-CB 3.44Å; W152-R164 WeakPolarHBondContact O-CD 3.46Å; W152-R164 PolarHBondContact O-NE 3.3Å; W152-F216 HydrophobicContact CB-CZ 4.27Å; W152-L232 HydrophobicContact CB-CD2 3.98Å; W152-L232 HydrophobicContact CD2-CD2 3.9Å; W152-L232 HydrophobicContact CG-CD2 3.45Å; W152-L232 VanDerWaalsContact CG-CD2 3.45Å
153N97.1Very high98Very high99 Ų9946.1 Ų46.153%0.52929%0.288SS..SBendtrans-81.5-45.9179.5-67.9-36.4000111.6S151 R164S151-N153 PolarHBondContact O-N 2.91Å; N153-R164 PolarHBondContact O-N 3.01Å; N153-R164 PolarHBondContact OD1-NH2 3.05Å
154E98.1Very high98Very high64 Ų6445.1 Ų45.130%0.29926%0.256SS..EExtended strand (participates in β ladder)trans-138.1135.2178.3-70.7176.7-176.600108.8L162 K163 L233E154-L162 WeakPolarHBondContact CA-O 3.33Å; E154-K163 HydrophobicContact CG-CB 4.23Å; E154-K163 HydrophobicContact CG-CG 4.01Å; E154-K163 IonicContact OE1-NZ 3.46Å; E154-K163 PolarHBondContact OE1-NZ 3.14Å; E154-L233 HydrophobicContact CB-CB 3.94Å; E154-L233 HydrophobicContact CB-CD1 4.46Å; E154-L233 PolarHBondContact O-N 3.49Å
155V98.3Very high98Very high1 Ų144.9 Ų44.91%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-128.4141-180-55.80000110.5W152 I157 E161 L162 F216 V230 Y231 L232W152-V155 HydrophobicContact CB-CG1 3.79Å; W152-V155 HydrophobicContact CD2-CG1 4.38Å; W152-V155 HydrophobicContact CE3-CG1 4.29Å; W152-V155 HydrophobicContact CG-CG1 4.23Å; V155-I157 HydrophobicContact CG2-CD1 4.43Å; V155-I157 HydrophobicContact CG2-CG1 4.45Å; V155-E161 WeakPolarHBondContact O-CA 3.49Å; V155-L162 HydrophobicContact CG2-CB 3.78Å; V155-L162 HydrophobicContact CG2-CD1 4.38Å; V155-L162 HydrophobicContact CG2-CG 4.49Å; V155-L162 PolarHBondContact N-O 3.02Å; V155-L162 PolarHBondContact O-N 3.1Å; V155-F216 HydrophobicContact CG1-CE1 4.19Å; V155-F216 HydrophobicContact CG1-CZ 4.44Å; V155-F216 HydrophobicContact CG2-CD1 4.31Å; V155-F216 HydrophobicContact CG2-CE1 3.91Å; V155-V230 HydrophobicContact CB-CG1 4.15Å; V155-V230 HydrophobicContact CG1-CG1 4.4Å; V155-Y231 CarbonylContact C-O 3.59Å; V155-Y231 VanDerWaalsContact CA-O 3.31Å; V155-Y231 WeakPolarHBondContact CA-O 3.09Å; V155-L232 HydrophobicContact CG1-CD2 3.75Å
156L98.5Very high98Very high44 Ų4442.7 Ų42.723%0.2323%0.231CC..EExtended strand (participates in β ladder)trans-109.8126.8171176.369.8000109G158 V160 E161 Y231 L233L156-G158 WeakPolarHBondContact CD1-O 3.49Å; L156-V160 WeakPolarHBondContact CA-O 3.34Å; L156-E161 HydrophobicContact CD1-CG 3.83Å; L156-Y231 HydrophobicContact CD2-CD2 4.4Å; L156-Y231 PolarHBondContact N-O 2.8Å; L156-Y231 PolarHBondContact O-N 2.73Å; L156-L233 HydrophobicContact CB-CD1 4.15Å; L156-L233 HydrophobicContact CB-CD2 3.94Å; L156-L233 HydrophobicContact CB-CG 4.11Å; L156-L233 HydrophobicContact CD2-CD2 4.45Å
157I98.4Very high98Very high7 Ų739.3 Ų39.34%0.03621%0.211CC..EExtended strand (participates in β ladder)trans-133.2113.5176.9-46.5-179.5000107.4I139 I141 V155 D159 V160 I224 D228 V230I139-I157 HydrophobicContact CG2-CD1 4.44Å; I141-I157 HydrophobicContact CD1-CD1 4.38Å; V155-I157 HydrophobicContact CG2-CD1 4.43Å; V155-I157 HydrophobicContact CG2-CG1 4.45Å; I157-D159 PolarHBondContact O-N 2.81Å; I157-V160 PolarHBondContact N-O 3.15Å; I157-V160 WeakPolarHBondContact O-CB 3.28Å; I157-V160 PolarHBondContact O-N 2.67Å; I157-I224 HydrophobicContact CB-CG2 3.85Å; I157-I224 HydrophobicContact CG2-CB 4.07Å; I157-I224 HydrophobicContact CG2-CG2 3.8Å; I157-I224 WeakPolarHBondContact O-CG2 3.35Å; I157-D228 HydrophobicContact CG2-CB 3.82Å; I157-V230 HydrophobicContact CD1-CG1 4.38Å; I157-V230 HydrophobicContact CD1-CG2 4.06Å; I157-V230 HydrophobicContact CG1-CB 4.44Å; I157-V230 HydrophobicContact CG1-CG1 4.11Å; I157-V230 HydrophobicContact CG1-CG2 4.05Å
158G96.4Very high98Very high33 Ų3337.8 Ų37.834%0.3421%0.206SC..THydrogen-bonded Turntrans56.7-122-165.900000110.3L156L156-G158 WeakPolarHBondContact CD1-O 3.49Å
159D95.9Very high98Very high120 Ų12038.2 Ų38.264%0.64221%0.206SC*.THydrogen-bonded Turntrans-97.23.4174.6-57.8-40.8000113.1I157 N220I157-D159 PolarHBondContact O-N 2.81Å; D159-N220 PolarHBondContact O-ND2 2.84Å
160V98.6Very high97.9Very high11 Ų1139 Ų397%0.06721%0.209CC..EExtended strand (participates in β ladder)trans-93.9122.7-173.5179.20000110.7L156 I157 L162 L218 N220 G222 I224L156-V160 WeakPolarHBondContact CA-O 3.34Å; I157-V160 PolarHBondContact N-O 3.15Å; I157-V160 WeakPolarHBondContact O-CB 3.28Å; I157-V160 PolarHBondContact O-N 2.67Å; V160-L162 HydrophobicContact CG1-CD2 3.92Å; V160-L162 HydrophobicContact CG1-CG 3.99Å; V160-L218 HydrophobicContact CG1-CD1 3.73Å; V160-N220 WeakPolarHBondContact CA-O 3.47Å; V160-G222 VanDerWaalsContact CG2-CA 3.45Å; V160-I224 HydrophobicContact CB-CG2 3.7Å; V160-I224 HydrophobicContact CG1-CG2 4.36Å; V160-I224 HydrophobicContact CG2-CG2 3.63Å
161E98.6Very high97.8Very high75 Ų7539 Ų3935%0.3521%0.212SC..EExtended strand (participates in β ladder)trans-100.5125.8171.8-65.7177.5-16000110.1V155 L156 E219 N220 L233V155-E161 WeakPolarHBondContact O-CA 3.49Å; L156-E161 HydrophobicContact CD1-CG 3.83Å; E161-E219 HydrophobicContact CB-CB 3.94Å; E161-E219 PolarHBondContact O-N 2.89Å; E161-N220 HydrophobicContact CB-CB 3.78Å; E161-N220 HydrophobicContact CG-CB 3.93Å; E161-N220 PolarHBondContact N-O 2.95Å; E161-N220 PolarHBondContact O-N 2.69Å; E161-L233 HydrophobicContact CG-CD1 4.16Å
162L98.5Very high97.7Very high3 Ų338.3 Ų38.32%0.01620%0.202CC..EExtended strand (participates in β ladder)trans-120.7134.9176.8-59.7175.5000110.1F111 I139 E154 V155 V160 F216 A217 L218F111-L162 HydrophobicContact CD2-CD2 3.82Å; F111-L162 HydrophobicContact CE2-CD2 3.91Å; F111-L162 HydrophobicContact CG-CD2 4.5Å; I139-L162 HydrophobicContact CD1-CD1 3.72Å; E154-L162 WeakPolarHBondContact CA-O 3.33Å; V155-L162 HydrophobicContact CG2-CB 3.78Å; V155-L162 HydrophobicContact CG2-CD1 4.38Å; V155-L162 HydrophobicContact CG2-CG 4.49Å; V155-L162 PolarHBondContact N-O 3.02Å; V155-L162 PolarHBondContact O-N 3.1Å; V160-L162 HydrophobicContact CG1-CD2 3.92Å; V160-L162 HydrophobicContact CG1-CG 3.99Å; L162-F216 HydrophobicContact CB-CB 4.16Å; L162-F216 HydrophobicContact CB-CD1 3.64Å; L162-F216 HydrophobicContact CB-CE1 4.47Å; L162-F216 HydrophobicContact CB-CG 4.27Å; L162-A217 WeakPolarHBondContact CA-O 3.41Å; L162-L218 HydrophobicContact CD2-CD1 3.76Å
163K98.3Very high97.7Very high81 Ų8138.9 Ų38.935%0.35221%0.206SC..EExtended strand (participates in β ladder)trans-107.3129.5174.8-175174.4-167.91180111.1E154 F216 A217 E219E154-K163 HydrophobicContact CG-CB 4.23Å; E154-K163 HydrophobicContact CG-CG 4.01Å; E154-K163 IonicContact OE1-NZ 3.46Å; E154-K163 PolarHBondContact OE1-NZ 3.14Å; K163-F216 CarbonylContact O-C 3.55Å; K163-F216 VanDerWaalsContact O-CA 3.3Å; K163-F216 WeakPolarHBondContact O-CA 3.24Å; K163-A217 PolarHBondContact N-O 2.83Å; K163-A217 PolarHBondContact O-N 3.22Å; K163-E219 HydrophobicContact CB-CG 3.77Å; K163-E219 VanDerWaalsContact CB-OE1 3.28Å; K163-E219 WeakPolarHBondContact CB-OE1 3.5Å; K163-E219 WeakPolarHBondContact CD-OE1 3.34Å
164R98.4Very high97.7Very high68 Ų6834.3 Ų34.326%0.25718%0.182SC..EExtended strand (participates in β ladder)trans-68.4135.7175.4-171179.262.788.14.1109.8D150 W152 N153 Q214 F216D150-R164 PolarHBondContact O-NE 3.32Å; W152-R164 WeakPolarHBondContact O-CB 3.44Å; W152-R164 WeakPolarHBondContact O-CD 3.46Å; W152-R164 PolarHBondContact O-NE 3.3Å; N153-R164 PolarHBondContact O-N 3.01Å; N153-R164 PolarHBondContact OD1-NH2 3.05Å; R164-Q214 HydrophobicContact CG-CB 4.34Å; R164-F216 HydrophobicContact CB-CD1 4.12Å; R164-F216 HydrophobicContact CB-CE1 3.65Å; R164-F216 HydrophobicContact CB-CE2 4.17Å; R164-F216 HydrophobicContact CB-CZ 3.68Å; R164-F216 HydrophobicContact CG-CE1 4.47Å; R164-F216 HydrophobicContact CG-CE2 4.11Å; R164-F216 HydrophobicContact CG-CZ 4.05Å; R164-F216 VanDerWaalsContact N-CD1 3.31Å
165V98.1Very high97.7Very high33 Ų3331.5 Ų31.520%0.217%0.169CC..EExtended strand (participates in β ladder)trans-107.4-54-179-177.60000110.9V96 F97 Y215 A217V96-V165 HydrophobicContact CB-CG1 4.34Å; V96-V165 HydrophobicContact CG2-CG1 3.85Å; F97-V165 HydrophobicContact CD1-CB 4.36Å; F97-V165 HydrophobicContact CD1-CG1 3.81Å; F97-V165 HydrophobicContact CD1-CG2 4.07Å; F97-V165 HydrophobicContact CD2-CG1 3.9Å; F97-V165 HydrophobicContact CE1-CB 4Å; F97-V165 HydrophobicContact CE1-CG1 3.82Å; F97-V165 HydrophobicContact CE1-CG2 3.88Å; F97-V165 HydrophobicContact CE2-CG1 3.92Å; F97-V165 HydrophobicContact CG-CG1 3.87Å; F97-V165 HydrophobicContact CZ-CB 4.17Å; F97-V165 HydrophobicContact CZ-CG1 3.87Å; V165-Y215 PolarHBondContact N-O 2.99Å; V165-A217 HydrophobicContact CG2-CB 3.77Å
166M97.9Very high97.7Very high1 Ų131.8 Ų31.81%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-166166.4-178.764.5177.9-64.800110.4K94 V96 F97 L205 Y206 Q214 Y215K94-M166 HydrophobicContact CB-SD 4.11Å; K94-M166 HydrophobicContact CD-CE 4.29Å; K94-M166 HydrophobicContact CD-SD 4.18Å; K94-M166 HydrophobicContact CG-SD 3.97Å; V96-M166 HydrophobicContact CG2-CB 4.26Å; V96-M166 HydrophobicContact CG2-CG 4.17Å; V96-M166 HydrophobicContact CG2-SD 3.58Å; V96-M166 VanDerWaalsContact CG2-SD 3.58Å; F97-M166 HydrophobicContact CE2-CG 4.38Å; F97-M166 HydrophobicContact CE2-SD 4.02Å; M166-L205 HydrophobicContact CB-CD2 4.3Å; M166-L205 HydrophobicContact CE-CD1 3.74Å; M166-L205 HydrophobicContact CE-CD2 4.21Å; M166-L205 HydrophobicContact CE-CG 3.78Å; M166-L205 HydrophobicContact SD-CD1 4.27Å; M166-Y206 HydrophobicContact CB-CE1 4.13Å; M166-Y206 HydrophobicContact CE-CD1 3.73Å; M166-Y206 HydrophobicContact CE-CE1 3.42Å; M166-Y206 VanDerWaalsContact CE-CE1 3.42Å; M166-Q214 PolarHBondContact O-OE1 2.7Å; M166-Y215 HydrophobicContact CG-CD2 3.86Å; M166-Y215 WeakPolarHBondContact O-CB 3.34Å; M166-Y215 PolarHBondContact O-N 3Å; M166-Y215 HydrophobicContact SD-CD2 4.36Å
167A98.4Very high97.6Very high2 Ų230.3 Ų30.32%0.01716%0.163CC..EExtended strand (participates in β ladder)trans-69.3150.6171.700000112.5Y206 I211 Q214A167-Y206 HydrophobicContact CB-CE1 3.7Å; A167-Y206 PolarHBondContact N-OH 2.94Å; A167-Y206 VanDerWaalsContact N-OH 3.12Å; A167-Y206 WeakPolarHBondContact O-CE1 3.16Å; A167-I211 HydrophobicContact CB-CB 3.79Å; A167-I211 HydrophobicContact CB-CD1 4.06Å; A167-I211 HydrophobicContact CB-CG2 3.74Å; A167-Q214 VanDerWaalsContact CA-OE1 3.24Å
168C98.4Very high97.4Very high4 Ų431.1 Ų31.13%0.02717%0.169CC..EExtended strand (participates in β ladder)trans-85.1112.9174.6-178.80000110.2L112 R170 I211 F212 G213 Y215L112-C168 HydrophobicContact CD1-CB 3.54Å; C168-R170 WeakPolarHBondContact O-CD 3.45Å; C168-R170 PolarHBondContact SG-NH1 2.81Å; C168-I211 WeakPolarHBondContact O-CA 3.46Å; C168-F212 PolarHBondContact O-N 2.8Å; C168-G213 WeakPolarHBondContact CB-O 3.35Å; C168-G213 PolarHBondContact N-O 2.89Å; C168-Y215 HydrophobicContact CB-CD1 4.24Å; C168-Y215 HydrophobicContact CB-CD2 4.45Å; C168-Y215 HydrophobicContact CB-CE1 3.96Å; C168-Y215 HydrophobicContact CB-CE2 4.17Å; C168-Y215 HydrophobicContact CB-CG 4.48Å; C168-Y215 PolarHBondContact SG-OH 2.88Å
169T97.9Very high97.4Very high29 Ų2934.6 Ų34.618%0.17818%0.179CC..EExtended strand (participates in β ladder)trans-72.8136.6171.754.20000110.8Y206 L209 P210 I211T169-Y206 HydrophobicContact CG2-CD1 3.74Å; T169-Y206 HydrophobicContact CG2-CG 4.27Å; T169-L209 HydrophobicContact CG2-CB 4.1Å; T169-P210 CarbonylContact C-O 3.35Å; T169-P210 WeakPolarHBondContact CA-O 3.35Å; T169-I211 HydrophobicContact CG2-CG2 4.15Å
170R97.9Very high97.3Very high17 Ų1732 Ų326%0.06417%0.168CC..  trans-95.1142.3-176.2-48.7-45.2-64.7-167.614.4111F135 C168 T174 L189 L192 P210 F212F135-R170 VanDerWaalsContact C-NH2 3.32Å; F135-R170 PolarHBondContact O-NH2 3.25Å; C168-R170 WeakPolarHBondContact O-CD 3.45Å; C168-R170 PolarHBondContact SG-NH1 2.81Å; R170-T174 HydrophobicContact CB-CG2 4.14Å; R170-L189 HydrophobicContact CB-CD1 3.86Å; R170-L192 HydrophobicContact CB-CD1 4.4Å; R170-L192 HydrophobicContact CG-CD1 4.03Å; R170-P210 HydrophobicContact CB-CG 4.33Å; R170-P210 PolarHBondContact N-O 3.45Å; R170-F212 WeakPolarHBondContact CD-O 3.33Å; R170-F212 HydrophobicContact CG-CB 3.64Å; R170-F212 PolarHBondContact NH1-O 2.62Å
171C95.3Very high97.2Very high40 Ų4031.9 Ų31.927%0.2717%0.169SC..  trans-123.5177.1179.773.40000110.6L173 T174C171-L173 PolarHBondContact O-N 3.32Å; C171-T174 PolarHBondContact O-N 3.35Å; C171-T174 VanDerWaalsContact O-N 3.08Å; C171-T174 PolarHBondContact O-OG1 3.34Å
172L96.1Very high97.1Very high57 Ų5733.9 Ų33.930%0.29818%0.181SC..G310 helixtrans-52-24.5-178-167.466000114.4T174 T175 R185L172-T174 PolarHBondContact O-N 3.48Å; L172-T174 VanDerWaalsContact O-N 3.15Å; L172-T175 HydrophobicContact CD1-CG2 4.15Å; L172-T175 WeakPolarHBondContact O-CB 3.25Å; L172-T175 PolarHBondContact O-N 3.32Å; L172-T175 PolarHBondContact O-OG1 3.13Å; L172-R185 HydrophobicContact CD1-CB 4.03Å; L172-R185 HydrophobicContact CD1-CG 4.4Å
173L96.8Very high96.9Very high27 Ų2735.2 Ų35.214%0.14119%0.19CC..G310 helixtrans-59-26.6179.2-175.354000113.2A4 R5 C171 T175 V176A4-L173 HydrophobicContact CB-CD1 3.35Å; A4-L173 HydrophobicContact CB-CD2 4.35Å; R5-L173 HydrophobicContact CG-CB 3.88Å; C171-L173 PolarHBondContact O-N 3.32Å; L173-T175 PolarHBondContact O-N 2.71Å; L173-V176 HydrophobicContact CD1-CB 4.23Å; L173-V176 HydrophobicContact CD1-CG2 3.85Å; L173-V176 PolarHBondContact O-N 3.46Å; L173-V176 VanDerWaalsContact O-N 3.14Å
174T97.6Very high96.5Very high3 Ų335.4 Ų35.42%0.01820%0.196CC..G310 helixtrans-63.5-21.9176.357.20000113.1N134 F135 R170 C171 L172 V176 P188N134-T174 PolarHBondContact ND2-O 2.96Å; N134-T174 WeakPolarHBondContact O-CA 3.4Å; F135-T174 HydrophobicContact CD1-CG2 3.73Å; F135-T174 HydrophobicContact CE1-CG2 3.89Å; R170-T174 HydrophobicContact CB-CG2 4.14Å; C171-T174 PolarHBondContact O-N 3.35Å; C171-T174 VanDerWaalsContact O-N 3.08Å; C171-T174 PolarHBondContact O-OG1 3.34Å; L172-T174 PolarHBondContact O-N 3.48Å; L172-T174 VanDerWaalsContact O-N 3.15Å; T174-V176 VanDerWaalsContact C-N 3.32Å; T174-P188 WeakPolarHBondContact O-CD 3.35Å
175T97.6Very high96.1Very high6 Ų640.1 Ų40.14%0.03721%0.213CC..G310 helixtrans-84.6-5.3179.974.30000113.5L172 L173 S183 E187 L189L172-T175 HydrophobicContact CD1-CG2 4.15Å; L172-T175 WeakPolarHBondContact O-CB 3.25Å; L172-T175 PolarHBondContact O-N 3.32Å; L172-T175 PolarHBondContact O-OG1 3.13Å; L173-T175 PolarHBondContact O-N 2.71Å; T175-S183 VanDerWaalsContact O-CA 3.31Å; T175-S183 WeakPolarHBondContact O-CA 3.21Å; T175-S183 PolarHBondContact OG1-OG 2.89Å; T175-E187 WeakPolarHBondContact CA-O 3.37Å; T175-E187 WeakPolarHBondContact CB-O 2.93Å; T175-E187 VanDerWaalsContact CG2-O 3.3Å; T175-E187 WeakPolarHBondContact CG2-O 3.46Å; T175-L189 HydrophobicContact CG2-CB 3.81Å
176V97.9Very high96Very high7 Ų745 Ų454%0.04223%0.232CC..BIsolated β-bridgetrans-79.7121.4172.8-179.40000107.9P8 V11 N134 L173 T174 P178P8-V176 HydrophobicContact CB-CG1 3.85Å; P8-V176 HydrophobicContact CB-CG2 4.07Å; P8-V176 HydrophobicContact CG-CG2 4.31Å; V11-V176 HydrophobicContact CG1-CG1 3.9Å; V11-V176 HydrophobicContact CG2-CG1 3.85Å; N134-V176 PolarHBondContact ND2-O 3.01Å; L173-V176 HydrophobicContact CD1-CB 4.23Å; L173-V176 HydrophobicContact CD1-CG2 3.85Å; L173-V176 PolarHBondContact O-N 3.46Å; L173-V176 VanDerWaalsContact O-N 3.14Å; T174-V176 VanDerWaalsContact C-N 3.32Å; V176-P178 WeakPolarHBondContact O-CD 3.48Å
177D96.4Very high96Very high13 Ų1348.2 Ų48.27%0.0725%0.247CC..  trans-67.9118171.4178.5-14.3000109.5R128 D179 T180 G181 I182R128-D177 IonicContact CZ-OD2 3.32Å; R128-D177 IonicContact NH1-OD2 3.46Å; R128-D177 PolarHBondContact NH1-OD2 2.72Å; R128-D177 IonicContact NH2-OD2 2.71Å; R128-D177 PolarHBondContact NH2-OD2 3.41Å; D177-D179 PolarHBondContact O-N 3.01Å; D177-D179 PolarHBondContact OD1-N 3.08Å; D177-T180 VanDerWaalsContact CB-OG1 3.26Å; D177-T180 WeakPolarHBondContact CB-OG1 3.23Å; D177-T180 PolarHBondContact O-N 2.87Å; D177-T180 PolarHBondContact OD1-N 3.11Å; D177-T180 WeakPolarHBondContact OD2-CG2 3.49Å; D177-T180 PolarHBondContact OD2-OG1 2.79Å; D177-G181 WeakPolarHBondContact O-CA 3.42Å; D177-G181 PolarHBondContact O-N 2.86Å; D177-I182 WeakPolarHBondContact CB-O 3.38Å; D177-I182 PolarHBondContact N-O 2.79Å
178P95.1Very high96Very high24 Ų2448.1 Ų48.116%0.15625%0.246CC..THydrogen-bonded Turntrans-66.9-22-176.627.7-34.8000113.4T133 V176T133-P178 WeakPolarHBondContact OG1-CG 3.34Å; V176-P178 WeakPolarHBondContact O-CD 3.48Å
179D94.9Very high96Very high105 Ų10548.5 Ų48.556%0.56125%0.248SC*.THydrogen-bonded Turntrans-89.3-25.2-177.4-58.4-36.8000111.7L12 K131 D177L12-D179 WeakPolarHBondContact CD2-O 3.46Å; K131-D179 IonicContact NZ-OD1 3.91Å; K131-D179 PolarHBondContact NZ-OD1 3.11Å; K131-D179 IonicContact NZ-OD2 3.25Å; K131-D179 PolarHBondContact NZ-OD2 3.06Å; D177-D179 PolarHBondContact O-N 3.01Å; D177-D179 PolarHBondContact OD1-N 3.08Å
180T95.3Very high96Very high66 Ų6651.3 Ų51.341%0.40526%0.259SS..THydrogen-bonded Turntrans-118-16.5-174.966.60000114.6D177 I182D177-T180 VanDerWaalsContact CB-OG1 3.26Å; D177-T180 WeakPolarHBondContact CB-OG1 3.23Å; D177-T180 PolarHBondContact O-N 2.87Å; D177-T180 PolarHBondContact OD1-N 3.11Å; D177-T180 WeakPolarHBondContact OD2-CG2 3.49Å; D177-T180 PolarHBondContact OD2-OG1 2.79Å; T180-I182 PolarHBondContact O-N 3.39Å; T180-I182 PolarHBondContact OG1-N 3.34Å
181G96.1Very high96Very high8 Ų851.5 Ų51.58%0.08226%0.262CS..  trans65.916.3-173.700000113P8 D177P8-G181 WeakPolarHBondContact CB-O 3.45Å; D177-G181 WeakPolarHBondContact O-CA 3.42Å; D177-G181 PolarHBondContact O-N 2.86Å
182I95.9Very high96.2Very high117 Ų11749.6 Ų49.660%0.625%0.249SC*.  trans-97.6141178.7-61.4173.1000109D177 T180D177-I182 WeakPolarHBondContact CB-O 3.38Å; D177-I182 PolarHBondContact N-O 2.79Å; T180-I182 PolarHBondContact O-N 3.39Å; T180-I182 PolarHBondContact OG1-N 3.34Å
183S94Very high96.3Very high31 Ų3150.2 Ų50.222%0.21725%0.249CC..BIsolated β-bridgetrans-120.6126.4175.5169.50000110.7T175 R185T175-S183 VanDerWaalsContact O-CA 3.31Å; T175-S183 WeakPolarHBondContact O-CA 3.21Å; T175-S183 PolarHBondContact OG1-OG 2.89Å; S183-R185 WeakPolarHBondContact OG-CG 3.44Å; S183-R185 PolarHBondContact OG-N 2.85Å; S183-R185 VanDerWaalsContact OG-N 3.15Å
184D89.8Confident96.3Very high86 Ų8653.5 Ų53.546%0.4627%0.274SS..  trans-80.4-6.7170.668.120.4000112.7K186 E187D184-K186 PolarHBondContact O-N 3.5Å; D184-K186 VanDerWaalsContact O-N 3.13Å; D184-K186 PolarHBondContact OD1-N 2.95Å; D184-E187 PolarHBondContact OD1-N 2.89Å
185R91.6Very high96.4Very high167 Ų16756 Ų5663%0.6328%0.284SS*.SBendtrans57.715-178.8-60.4-178.6172.9-105.7-2.5115.1L172 S183L172-R185 HydrophobicContact CD1-CB 4.03Å; L172-R185 HydrophobicContact CD1-CG 4.4Å; S183-R185 WeakPolarHBondContact OG-CG 3.44Å; S183-R185 PolarHBondContact OG-N 2.85Å; S183-R185 VanDerWaalsContact OG-N 3.15Å
186K95.3Very high96.4Very high136 Ų13657 Ų5759%0.59129%0.287SS*.SBendtrans-126.5-66.1-176.9-67.5-179.4-179.7-177.60111.1D184 L189 E190D184-K186 PolarHBondContact O-N 3.5Å; D184-K186 VanDerWaalsContact O-N 3.13Å; D184-K186 PolarHBondContact OD1-N 2.95Å; K186-L189 WeakPolarHBondContact O-CA 3.31Å; K186-L189 WeakPolarHBondContact O-CB 3.33Å; K186-L189 PolarHBondContact O-N 3.42Å; K186-E190 HydrophobicContact CB-CG 4.28Å; K186-E190 PolarHBondContact O-N 2.82Å
187E97.6Very high96.4Very high67 Ų6760.9 Ų60.931%0.31331%0.307SS..THydrogen-bonded Turntrans-95.8143.9-172.3-64.2-52.7151.200111.7L126 T175 D184 L189 T191L126-E187 HydrophobicContact CD2-CB 4.44Å; L126-E187 WeakPolarHBondContact CD2-OE2 3.4Å; T175-E187 WeakPolarHBondContact CA-O 3.37Å; T175-E187 WeakPolarHBondContact CB-O 2.93Å; T175-E187 VanDerWaalsContact CG2-O 3.3Å; T175-E187 WeakPolarHBondContact CG2-O 3.46Å; D184-E187 PolarHBondContact OD1-N 2.89Å; E187-L189 VanDerWaalsContact C-N 3.34Å; E187-T191 VanDerWaalsContact CD-OG1 3.32Å; E187-T191 VanDerWaalsContact OE2-CB 3.25Å; E187-T191 WeakPolarHBondContact OE2-CB 3.24Å; E187-T191 PolarHBondContact OE2-N 2.92Å; E187-T191 PolarHBondContact OE2-OG1 2.98Å
188P98Very high96.4Very high1 Ų160.9 Ų60.91%0.00631%0.308CS..THydrogen-bonded Turncis-88.812.65.537.5-37.6000113.9L122 L126 V130 F135 T174 L192L122-P188 HydrophobicContact CD2-CB 4.21Å; L126-P188 HydrophobicContact CD1-CB 3.76Å; L126-P188 HydrophobicContact CD2-CB 4.04Å; V130-P188 HydrophobicContact CG1-CB 4.12Å; V130-P188 HydrophobicContact CG1-CG 4.02Å; V130-P188 HydrophobicContact CG2-CB 4.39Å; V130-P188 HydrophobicContact CG2-CG 4.43Å; F135-P188 HydrophobicContact CE1-CG 4.02Å; F135-P188 HydrophobicContact CZ-CB 4.44Å; F135-P188 HydrophobicContact CZ-CG 3.72Å; T174-P188 WeakPolarHBondContact O-CD 3.35Å; P188-L192 WeakPolarHBondContact O-CB 3.35Å; P188-L192 WeakPolarHBondContact O-CG 3.3Å; P188-L192 PolarHBondContact O-N 3Å
189L98.3Very high96.4Very high12 Ų1264 Ų646%0.06332%0.324CS..Hα-helixtrans-73.5-39.3-168.5-173.465.3000112.8R170 T175 K186 E187 L192 K193 P210R170-L189 HydrophobicContact CB-CD1 3.86Å; T175-L189 HydrophobicContact CG2-CB 3.81Å; K186-L189 WeakPolarHBondContact O-CA 3.31Å; K186-L189 WeakPolarHBondContact O-CB 3.33Å; K186-L189 PolarHBondContact O-N 3.42Å; E187-L189 VanDerWaalsContact C-N 3.34Å; L189-L192 PolarHBondContact O-N 3.16Å; L189-K193 WeakPolarHBondContact O-CG 3.41Å; L189-K193 PolarHBondContact O-N 3.46Å; L189-P210 HydrophobicContact CD1-CG 3.74Å
190E98.3Very high96.4Very high87 Ų8763.6 Ų63.641%0.40733%0.326SS..Hα-helixtrans-65.7-44.3175.2-70.4-56.4128.800111.4K186 L192 K193 S194K186-E190 HydrophobicContact CB-CG 4.28Å; K186-E190 PolarHBondContact O-N 2.82Å; E190-L192 VanDerWaalsContact C-N 3.34Å; E190-L192 PolarHBondContact O-N 3.07Å; E190-K193 WeakPolarHBondContact O-CB 3.18Å; E190-K193 PolarHBondContact O-N 3.38Å; E190-K193 VanDerWaalsContact O-N 3.12Å; E190-K193 IonicContact OE1-NZ 2.98Å; E190-K193 PolarHBondContact OE1-NZ 3.42Å; E190-S194 PolarHBondContact O-N 2.94Å; E190-S194 VanDerWaalsContact O-N 3.12Å
191T98.6Very high96.5Very high21 Ų2165.1 Ų65.113%0.12934%0.34CS..Hα-helixtrans-56.5-48.8172.1-63.30000111L122 R125 L126 E187 K193 S194 Y195L122-T191 HydrophobicContact CD1-CG2 3.91Å; R125-T191 HydrophobicContact CB-CG2 3.84Å; L126-T191 HydrophobicContact CD2-CG2 3.95Å; L126-T191 WeakPolarHBondContact CD2-OG1 3.41Å; L126-T191 HydrophobicContact CG-CG2 4.42Å; E187-T191 VanDerWaalsContact CD-OG1 3.32Å; E187-T191 VanDerWaalsContact OE2-CB 3.25Å; E187-T191 WeakPolarHBondContact OE2-CB 3.24Å; E187-T191 PolarHBondContact OE2-N 2.92Å; E187-T191 PolarHBondContact OE2-OG1 2.98Å; T191-K193 VanDerWaalsContact C-N 3.33Å; T191-K193 PolarHBondContact O-N 3.03Å; T191-S194 WeakPolarHBondContact O-CB 3.26Å; T191-S194 PolarHBondContact O-N 3.48Å; T191-S194 PolarHBondContact O-OG 3.17Å; T191-Y195 HydrophobicContact CG2-CE1 4.18Å; T191-Y195 WeakPolarHBondContact O-CD1 3.2Å; T191-Y195 WeakPolarHBondContact O-CE1 3.49Å
192L98.6Very high96.5Very high0 Ų068.6 Ų68.60%035%0.354CS..Hα-helixtrans-58.6-40.5175.9-80.8172.3000112.9L122 F135 R170 P188 L189 E190 S194 Y195 R196 P210 F212L122-L192 HydrophobicContact CD1-CD2 3.91Å; L122-L192 HydrophobicContact CD1-CG 3.88Å; L122-L192 HydrophobicContact CD2-CD1 4.17Å; L122-L192 HydrophobicContact CD2-CD2 4.07Å; L122-L192 HydrophobicContact CD2-CG 4.08Å; F135-L192 HydrophobicContact CE1-CD1 3.93Å; R170-L192 HydrophobicContact CB-CD1 4.4Å; R170-L192 HydrophobicContact CG-CD1 4.03Å; P188-L192 WeakPolarHBondContact O-CB 3.35Å; P188-L192 WeakPolarHBondContact O-CG 3.3Å; P188-L192 PolarHBondContact O-N 3Å; L189-L192 PolarHBondContact O-N 3.16Å; E190-L192 VanDerWaalsContact C-N 3.34Å; E190-L192 PolarHBondContact O-N 3.07Å; L192-S194 PolarHBondContact O-N 3.28Å; L192-Y195 HydrophobicContact CD2-CE1 4.3Å; L192-Y195 PolarHBondContact O-N 3.08Å; L192-R196 HydrophobicContact CD2-CB 4.07Å; L192-R196 HydrophobicContact CD2-CG 3.91Å; L192-R196 WeakPolarHBondContact O-CA 3.45Å; L192-R196 WeakPolarHBondContact O-CB 3.31Å; L192-R196 PolarHBondContact O-N 2.89Å; L192-P210 HydrophobicContact CB-CB 3.77Å; L192-P210 HydrophobicContact CB-CG 3.76Å; L192-P210 WeakPolarHBondContact O-CB 3.22Å; L192-F212 HydrophobicContact CD1-CB 4.22Å; L192-F212 HydrophobicContact CD1-CG 4.43Å; L192-F212 HydrophobicContact CD2-CB 4.09Å; L192-F212 HydrophobicContact CD2-CD2 3.74Å; L192-F212 HydrophobicContact CD2-CE2 4.42Å; L192-F212 HydrophobicContact CD2-CG 4.06Å
193K98.2Very high96.4Very high71 Ų7167.1 Ų67.131%0.30934%0.344SS..Hα-helixtrans-61.6-27.2175.5-75.8171.6-173.9169.80113.1L189 E190 T191 Y195 L197 P210L189-K193 WeakPolarHBondContact O-CG 3.41Å; L189-K193 PolarHBondContact O-N 3.46Å; E190-K193 WeakPolarHBondContact O-CB 3.18Å; E190-K193 PolarHBondContact O-N 3.38Å; E190-K193 VanDerWaalsContact O-N 3.12Å; E190-K193 IonicContact OE1-NZ 2.98Å; E190-K193 PolarHBondContact OE1-NZ 3.42Å; T191-K193 VanDerWaalsContact C-N 3.33Å; T191-K193 PolarHBondContact O-N 3.03Å; K193-Y195 VanDerWaalsContact C-N 3.33Å; K193-Y195 PolarHBondContact O-N 3.44Å; K193-L197 WeakPolarHBondContact O-CD1 3.45Å; K193-L197 WeakPolarHBondContact O-CG 3.29Å; K193-P210 HydrophobicContact CG-CB 4.5Å; K193-P210 HydrophobicContact CG-CG 3.87Å
194S98.2Very high96.4Very high95 Ų9571 Ų7166%0.66438%0.378SS*.Hα-helixtrans-70.9-25.8-177.975.80000113.8E190 T191 L192E190-S194 PolarHBondContact O-N 2.94Å; E190-S194 VanDerWaalsContact O-N 3.12Å; T191-S194 WeakPolarHBondContact O-CB 3.26Å; T191-S194 PolarHBondContact O-N 3.48Å; T191-S194 PolarHBondContact O-OG 3.17Å; L192-S194 PolarHBondContact O-N 3.28Å
195Y98.2Very high96.6Very high56 Ų5669.2 Ų69.222%0.2237%0.368CS..Hα-helixtrans-144.2-7.3-171.880.9-74.6000116L122 R125 Y147 T191 L192 K193L122-Y195 HydrophobicContact CD1-CE1 4.26Å; R125-Y195 VanDerWaalsContact CZ-CE2 3.42Å; Y147-Y195 HydrophobicContact CE2-CE2 4.26Å; Y147-Y195 AromaticContact CZ-CE2 3.99Å; Y147-Y195 WeakPolarHBondContact OH-CE2 3.32Å; Y147-Y195 PolarHBondContact OH-OH 2.69Å; T191-Y195 HydrophobicContact CG2-CE1 4.18Å; T191-Y195 WeakPolarHBondContact O-CD1 3.2Å; T191-Y195 WeakPolarHBondContact O-CE1 3.49Å; L192-Y195 HydrophobicContact CD2-CE1 4.3Å; L192-Y195 PolarHBondContact O-N 3.08Å; K193-Y195 VanDerWaalsContact C-N 3.33Å; K193-Y195 PolarHBondContact O-N 3.44Å
196R98.1Very high96.8Very high27 Ų2762 Ų6210%0.10234%0.341CS..  trans-116.631.4-179.1-69.1-67-60.3173.8-3.7113.1D150 L192 P210 I211D150-R196 IonicContact OD1-NH2 3.82Å; D150-R196 PolarHBondContact OD1-NH2 2.9Å; D150-R196 IonicContact OD2-CZ 2.99Å; D150-R196 IonicContact OD2-NH1 2.69Å; D150-R196 PolarHBondContact OD2-NH1 2.89Å; D150-R196 IonicContact OD2-NH2 2.79Å; D150-R196 PolarHBondContact OD2-NH2 2.99Å; L192-R196 HydrophobicContact CD2-CB 4.07Å; L192-R196 HydrophobicContact CD2-CG 3.91Å; L192-R196 WeakPolarHBondContact O-CA 3.45Å; L192-R196 WeakPolarHBondContact O-CB 3.31Å; L192-R196 PolarHBondContact O-N 2.89Å; R196-P210 HydrophobicContact CB-CB 4.23Å; R196-P210 CarbonylContact O-C 3.59Å; R196-P210 WeakPolarHBondContact O-CA 3.48Å; R196-P210 WeakPolarHBondContact O-CB 3.27Å; R196-I211 PolarHBondContact NE-O 2.82Å; R196-I211 VanDerWaalsContact NE-O 3.07Å; R196-I211 PolarHBondContact NH2-O 3.36Å; R196-I211 WeakPolarHBondContact O-CG1 3.15Å; R196-I211 PolarHBondContact O-N 3.47Å
197L98.1Very high96.8Very high89 Ų8957 Ų5747%0.46633%0.329SS..BIsolated β-bridgetrans-74.8147.7166.7-64.2176.1000109.9K193 K208 P210K193-L197 WeakPolarHBondContact O-CD1 3.45Å; K193-L197 WeakPolarHBondContact O-CG 3.29Å; L197-K208 WeakPolarHBondContact CD2-O 3.29Å; L197-P210 HydrophobicContact CD2-CB 4.4Å
198C96.1Very high96.7Very high13 Ų1362 Ų629%0.08835%0.349CS..PPolyproline II helixtrans-67.7163.7174.571.70000111.3E202 Y206C198-E202 HydrophobicContact CB-CB 4.19Å; C198-Y206 HydrophobicContact CB-CD2 3.57Å; C198-Y206 HydrophobicContact CB-CE2 4.37Å; C198-Y206 HydrophobicContact CB-CG 4.17Å
199D95.9Very high96.7Very high90 Ų9065.3 Ų65.348%0.48137%0.367SS..PPolyproline II helixtrans-57.9145.8170.1-173.6-86.4000110.6S201 E202 Q203D199-S201 PolarHBondContact O-N 3.36Å; D199-S201 VanDerWaalsContact O-N 3.11Å; D199-S201 VanDerWaalsContact OD1-CB 3.23Å; D199-S201 WeakPolarHBondContact OD1-CB 3.35Å; D199-S201 PolarHBondContact OD1-N 3Å; D199-S201 PolarHBondContact OD1-OG 2.98Å; D199-E202 PolarHBondContact O-N 3.2Å; D199-Q203 PolarHBondContact O-N 3.46Å
200P95.3Very high96.7Very high95 Ų9564.8 Ų64.862%0.61736%0.364SS*.G310 helixtrans-49.3-34.4174.8-30.837.5000114.7E202 Q203P200-E202 VanDerWaalsContact C-N 3.25Å; P200-E202 PolarHBondContact O-N 3.14Å; P200-Q203 WeakPolarHBondContact O-CB 3.24Å; P200-Q203 PolarHBondContact O-N 2.66Å
201S96.3Very high96.7Very high98 Ų9861.4 Ų61.469%0.68535%0.348SS*.G310 helixtrans-65.6-24.3177.663.20000113.9D199D199-S201 PolarHBondContact O-N 3.36Å; D199-S201 VanDerWaalsContact O-N 3.11Å; D199-S201 VanDerWaalsContact OD1-CB 3.23Å; D199-S201 WeakPolarHBondContact OD1-CB 3.35Å; D199-S201 PolarHBondContact OD1-N 3Å; D199-S201 PolarHBondContact OD1-OG 2.98Å
202E95.6Very high96.7Very high82 Ų8260.4 Ų60.438%0.38334%0.342SS..G310 helixtrans-99.41.8-179.2-59.1-172.710600113.4C198 D199 P200 A204 L205 Y206C198-E202 HydrophobicContact CB-CB 4.19Å; D199-E202 PolarHBondContact O-N 3.2Å; P200-E202 VanDerWaalsContact C-N 3.25Å; P200-E202 PolarHBondContact O-N 3.14Å; E202-A204 PolarHBondContact O-N 2.91Å; E202-A204 VanDerWaalsContact O-N 3.12Å; E202-L205 WeakPolarHBondContact O-CB 3.41Å; E202-L205 PolarHBondContact O-N 3.17Å; E202-Y206 HydrophobicContact CB-CD2 3.7Å; E202-Y206 HydrophobicContact CB-CE2 3.82Å; E202-Y206 HydrophobicContact CG-CE2 4.4Å; E202-Y206 PolarHBondContact O-N 3.4Å
203Q94.3Very high96.7Very high86 Ų8660.4 Ų60.440%0.40234%0.343SS..Hα-helixtrans-60.7-25.4-177.5-76.2-177.412.500113.6D199 P200 L205 G207D199-Q203 PolarHBondContact O-N 3.46Å; P200-Q203 WeakPolarHBondContact O-CB 3.24Å; P200-Q203 PolarHBondContact O-N 2.66Å; Q203-L205 PolarHBondContact O-N 3.34Å; Q203-G207 WeakPolarHBondContact O-CA 3.29Å; Q203-G207 PolarHBondContact O-N 2.89Å
204A94.1Very high96.7Very high112 Ų11257.2 Ų57.293%0.92633%0.329SS*.Hα-helixtrans-61-29.7173.700000112.4E202E202-A204 PolarHBondContact O-N 2.91Å; E202-A204 VanDerWaalsContact O-N 3.12Å
205L94.3Very high96.7Very high49 Ų4954.1 Ų54.126%0.25730%0.303SS..Hα-helixtrans-91.9-44.6-178.2-179.558.4000112.5K94 V96 M166 E202 Q203K94-L205 PolarHBondContact NZ-O 2.84Å; V96-L205 HydrophobicContact CG1-CD1 3.84Å; V96-L205 HydrophobicContact CG1-CD2 4.23Å; V96-L205 HydrophobicContact CG2-CD1 4.28Å; M166-L205 HydrophobicContact CB-CD2 4.3Å; M166-L205 HydrophobicContact CE-CD1 3.74Å; M166-L205 HydrophobicContact CE-CD2 4.21Å; M166-L205 HydrophobicContact CE-CG 3.78Å; M166-L205 HydrophobicContact SD-CD1 4.27Å; E202-L205 WeakPolarHBondContact O-CB 3.41Å; E202-L205 PolarHBondContact O-N 3.17Å; Q203-L205 PolarHBondContact O-N 3.34Å
206Y96.3Very high96.8Very high14 Ų1451.5 Ų51.56%0.05529%0.292CS..Hα-helixtrans-103.1-17.3-171.4-55.7-64.2000114.1M166 A167 T169 C198 E202 I211M166-Y206 HydrophobicContact CB-CE1 4.13Å; M166-Y206 HydrophobicContact CE-CD1 3.73Å; M166-Y206 HydrophobicContact CE-CE1 3.42Å; M166-Y206 VanDerWaalsContact CE-CE1 3.42Å; A167-Y206 HydrophobicContact CB-CE1 3.7Å; A167-Y206 PolarHBondContact N-OH 2.94Å; A167-Y206 VanDerWaalsContact N-OH 3.12Å; A167-Y206 WeakPolarHBondContact O-CE1 3.16Å; T169-Y206 HydrophobicContact CG2-CD1 3.74Å; T169-Y206 HydrophobicContact CG2-CG 4.27Å; C198-Y206 HydrophobicContact CB-CD2 3.57Å; C198-Y206 HydrophobicContact CB-CE2 4.37Å; C198-Y206 HydrophobicContact CB-CG 4.17Å; E202-Y206 HydrophobicContact CB-CD2 3.7Å; E202-Y206 HydrophobicContact CB-CE2 3.82Å; E202-Y206 HydrophobicContact CG-CE2 4.4Å; E202-Y206 PolarHBondContact O-N 3.4Å; Y206-I211 HydrophobicContact CD1-CG2 4Å; Y206-I211 HydrophobicContact CE1-CG2 4.42Å; Y206-I211 HydrophobicContact CG-CG2 4.14Å
207G95.1Very high96.8Very high32 Ų3250.2 Ų50.233%0.3329%0.288SS..THydrogen-bonded Turntrans64-143.3-172.400000111.9Q203Q203-G207 WeakPolarHBondContact O-CA 3.29Å; Q203-G207 PolarHBondContact O-N 2.89Å
208K95.1Very high96.8Very high171 Ų17149 Ų4974%0.74328%0.281SS*.THydrogen-bonded Turntrans-100.924.6176.7-61.3-176.2178-177.40112.7L197L197-K208 WeakPolarHBondContact CD2-O 3.29Å
209L97.1Very high96.8Very high72 Ų7251.2 Ų51.238%0.37729%0.29SS..  trans-93.1140.9178-64.7176.4000109.4T169T169-L209 HydrophobicContact CG2-CB 4.1Å
210P98.4Very high96.9Very high0 Ų050.1 Ų50.10%029%0.285CS..BIsolated β-bridgetrans-72.4153.6176.431.9-34.5000111.1T169 R170 L189 L192 K193 R196 L197T169-P210 CarbonylContact C-O 3.35Å; T169-P210 WeakPolarHBondContact CA-O 3.35Å; R170-P210 HydrophobicContact CB-CG 4.33Å; R170-P210 PolarHBondContact N-O 3.45Å; L189-P210 HydrophobicContact CD1-CG 3.74Å; L192-P210 HydrophobicContact CB-CB 3.77Å; L192-P210 HydrophobicContact CB-CG 3.76Å; L192-P210 WeakPolarHBondContact O-CB 3.22Å; K193-P210 HydrophobicContact CG-CB 4.5Å; K193-P210 HydrophobicContact CG-CG 3.87Å; R196-P210 HydrophobicContact CB-CB 4.23Å; R196-P210 CarbonylContact O-C 3.59Å; R196-P210 WeakPolarHBondContact O-CA 3.48Å; R196-P210 WeakPolarHBondContact O-CB 3.27Å; L197-P210 HydrophobicContact CD2-CB 4.4Å
211I98.6Very high97.1Very high16 Ų1649.9 Ų49.98%0.08228%0.283CS..EExtended strand (participates in β ladder)trans-108.6129.8-177.754.3166.2000111.7A167 C168 T169 R196 Y206A167-I211 HydrophobicContact CB-CB 3.79Å; A167-I211 HydrophobicContact CB-CD1 4.06Å; A167-I211 HydrophobicContact CB-CG2 3.74Å; C168-I211 WeakPolarHBondContact O-CA 3.46Å; T169-I211 HydrophobicContact CG2-CG2 4.15Å; R196-I211 PolarHBondContact NE-O 2.82Å; R196-I211 VanDerWaalsContact NE-O 3.07Å; R196-I211 PolarHBondContact NH2-O 3.36Å; R196-I211 WeakPolarHBondContact O-CG1 3.15Å; R196-I211 PolarHBondContact O-N 3.47Å; Y206-I211 HydrophobicContact CD1-CG2 4Å; Y206-I211 HydrophobicContact CE1-CG2 4.42Å; Y206-I211 HydrophobicContact CG-CG2 4.14Å
212F98.8Very high97.1Very high0 Ų047.5 Ų47.50%027%0.274CS..EExtended strand (participates in β ladder)trans-155.1116.5180-167.1-103.4000111.4L114 S118 L122 F135 Y147 C168 R170 L192L114-F212 HydrophobicContact CD1-CD1 3.75Å; L114-F212 HydrophobicContact CD1-CE1 3.39Å; L114-F212 HydrophobicContact CD1-CE2 4.32Å; L114-F212 HydrophobicContact CD1-CG 4.36Å; L114-F212 HydrophobicContact CD1-CZ 3.69Å; L114-F212 HydrophobicContact CD2-CD1 4.36Å; L114-F212 HydrophobicContact CD2-CE1 3.66Å; L114-F212 HydrophobicContact CD2-CZ 4.38Å; L114-F212 HydrophobicContact CG-CE1 4.16Å; S118-F212 VanDerWaalsContact O-CE2 3.3Å; S118-F212 WeakPolarHBondContact O-CE2 3.36Å; S118-F212 WeakPolarHBondContact O-CZ 3.19Å; L122-F212 HydrophobicContact CB-CE2 4.09Å; L122-F212 HydrophobicContact CB-CZ 4.2Å; L122-F212 HydrophobicContact CD2-CE1 4.26Å; L122-F212 HydrophobicContact CD2-CE2 4.18Å; L122-F212 HydrophobicContact CD2-CZ 3.98Å; F135-F212 AromaticContact CD1-CD1 3.54Å; F135-F212 HydrophobicContact CD1-CD1 3.54Å; F135-F212 AromaticContact CD1-CE1 3.89Å; F135-F212 HydrophobicContact CD1-CE1 3.89Å; F135-F212 HydrophobicContact CD2-CD1 4.23Å; F135-F212 AromaticContact CD2-CE1 3.73Å; F135-F212 HydrophobicContact CD2-CE1 3.73Å; F135-F212 AromaticContact CE1-CD1 3.75Å; F135-F212 HydrophobicContact CE1-CD1 3.75Å; F135-F212 AromaticContact CE1-CE1 3.97Å; F135-F212 HydrophobicContact CE1-CE1 3.97Å; F135-F212 HydrophobicContact CE2-CD1 4.4Å; F135-F212 AromaticContact CE2-CE1 3.8Å; F135-F212 HydrophobicContact CE2-CE1 3.8Å; F135-F212 AromaticContact CG-CD1 3.81Å; F135-F212 HydrophobicContact CG-CD1 3.81Å; F135-F212 AromaticContact CG-CE1 3.78Å; F135-F212 HydrophobicContact CG-CE1 3.78Å; F135-F212 HydrophobicContact CZ-CD1 4.19Å; F135-F212 AromaticContact CZ-CE1 3.93Å; F135-F212 HydrophobicContact CZ-CE1 3.93Å; Y147-F212 HydrophobicContact CE1-CD2 4.17Å; Y147-F212 AromaticContact CE1-CE2 3.96Å; Y147-F212 HydrophobicContact CE1-CE2 3.96Å; C168-F212 PolarHBondContact O-N 2.8Å; R170-F212 WeakPolarHBondContact CD-O 3.33Å; R170-F212 HydrophobicContact CG-CB 3.64Å; R170-F212 PolarHBondContact NH1-O 2.62Å; L192-F212 HydrophobicContact CD1-CB 4.22Å; L192-F212 HydrophobicContact CD1-CG 4.43Å; L192-F212 HydrophobicContact CD2-CB 4.09Å; L192-F212 HydrophobicContact CD2-CD2 3.74Å; L192-F212 HydrophobicContact CD2-CE2 4.42Å; L192-F212 HydrophobicContact CD2-CG 4.06Å
213G98.6Very high97.2Very high1 Ų147.3 Ų47.31%0.0128%0.279CS..EExtended strand (participates in β ladder)trans77.9166.3-165.400000112.8V113 C168V113-G213 CarbonylContact O-C 3.58Å; V113-G213 WeakPolarHBondContact O-CA 3.45Å; C168-G213 WeakPolarHBondContact CB-O 3.35Å; C168-G213 PolarHBondContact N-O 2.89Å
214Q98.8Very high97.4Very high3 Ų346.4 Ų46.41%0.01428%0.276CS..EExtended strand (participates in β ladder)trans-127.2137.7-170.3-66.6-66-34.700111.2V113 E149 D150 R164 M166 A167 F216V113-Q214 PolarHBondContact N-O 3.39Å; V113-Q214 PolarHBondContact O-N 2.82Å; E149-Q214 HydrophobicContact CB-CG 4.19Å; E149-Q214 HydrophobicContact CG-CG 3.79Å; E149-Q214 WeakPolarHBondContact O-CG 3.18Å; D150-Q214 PolarHBondContact OD1-NE2 2.65Å; R164-Q214 HydrophobicContact CG-CB 4.34Å; M166-Q214 PolarHBondContact O-OE1 2.7Å; A167-Q214 VanDerWaalsContact CA-OE1 3.24Å; Q214-F216 HydrophobicContact CB-CD2 4.11Å; Q214-F216 HydrophobicContact CB-CE2 3.64Å
215Y98.8Very high97.6Very high31 Ų3148.9 Ų48.912%0.12226%0.261CS..EExtended strand (participates in β ladder)trans-83.1130172.8-73-37.1000110.8F97 S109 F111 L112 V165 M166 C168F97-Y215 HydrophobicContact CZ-CD2 4.29Å; F97-Y215 HydrophobicContact CZ-CG 4.4Å; S109-Y215 WeakPolarHBondContact OG-CB 3.26Å; F111-Y215 WeakPolarHBondContact O-CA 3.46Å; L112-Y215 HydrophobicContact CB-CD1 4.3Å; L112-Y215 HydrophobicContact CB-CE1 4.34Å; L112-Y215 HydrophobicContact CD1-CD1 4.09Å; L112-Y215 HydrophobicContact CD1-CE1 4.17Å; V165-Y215 PolarHBondContact N-O 2.99Å; M166-Y215 HydrophobicContact CG-CD2 3.86Å; M166-Y215 WeakPolarHBondContact O-CB 3.34Å; M166-Y215 PolarHBondContact O-N 3Å; M166-Y215 HydrophobicContact SD-CD2 4.36Å; C168-Y215 HydrophobicContact CB-CD1 4.24Å; C168-Y215 HydrophobicContact CB-CD2 4.45Å; C168-Y215 HydrophobicContact CB-CE1 3.96Å; C168-Y215 HydrophobicContact CB-CE2 4.17Å; C168-Y215 HydrophobicContact CB-CG 4.48Å; C168-Y215 PolarHBondContact SG-OH 2.88Å
216F98.6Very high97.8Very high0 Ų054.1 Ų54.10%030%0.295CS..EExtended strand (participates in β ladder)trans-120.8149.1176.8-79.7-103.2000111.4S109 F111 V113 W152 V155 L162 K163 R164 Q214S109-F216 PolarHBondContact OG-O 2.8Å; S109-F216 VanDerWaalsContact OG-O 3.08Å; F111-F216 HydrophobicContact CB-CB 4.22Å; F111-F216 PolarHBondContact N-O 3.04Å; F111-F216 PolarHBondContact O-N 3.06Å; V113-F216 HydrophobicContact CB-CD2 3.74Å; V113-F216 HydrophobicContact CB-CE2 3.8Å; V113-F216 HydrophobicContact CG1-CE2 4.32Å; V113-F216 HydrophobicContact CG2-CB 4.32Å; V113-F216 HydrophobicContact CG2-CD2 3.38Å; V113-F216 HydrophobicContact CG2-CE2 3.82Å; V113-F216 HydrophobicContact CG2-CG 3.96Å; W152-F216 HydrophobicContact CB-CZ 4.27Å; V155-F216 HydrophobicContact CG1-CE1 4.19Å; V155-F216 HydrophobicContact CG1-CZ 4.44Å; V155-F216 HydrophobicContact CG2-CD1 4.31Å; V155-F216 HydrophobicContact CG2-CE1 3.91Å; L162-F216 HydrophobicContact CB-CB 4.16Å; L162-F216 HydrophobicContact CB-CD1 3.64Å; L162-F216 HydrophobicContact CB-CE1 4.47Å; L162-F216 HydrophobicContact CB-CG 4.27Å; K163-F216 CarbonylContact O-C 3.55Å; K163-F216 VanDerWaalsContact O-CA 3.3Å; K163-F216 WeakPolarHBondContact O-CA 3.24Å; R164-F216 HydrophobicContact CB-CD1 4.12Å; R164-F216 HydrophobicContact CB-CE1 3.65Å; R164-F216 HydrophobicContact CB-CE2 4.17Å; R164-F216 HydrophobicContact CB-CZ 3.68Å; R164-F216 HydrophobicContact CG-CE1 4.47Å; R164-F216 HydrophobicContact CG-CE2 4.11Å; R164-F216 HydrophobicContact CG-CZ 4.05Å; R164-F216 VanDerWaalsContact N-CD1 3.31Å; Q214-F216 HydrophobicContact CB-CD2 4.11Å; Q214-F216 HydrophobicContact CB-CE2 3.64Å
217A98.1Very high97.9Very high0 Ų057.1 Ų57.10%033%0.329CS..EExtended strand (participates in β ladder)trans-117.6153.3171.500000110.4L162 K163 V165L162-A217 WeakPolarHBondContact CA-O 3.41Å; K163-A217 PolarHBondContact N-O 2.83Å; K163-A217 PolarHBondContact O-N 3.22Å; V165-A217 HydrophobicContact CG2-CB 3.77Å
218L98.1Very high98Very high64 Ų6457.8 Ų57.834%0.33533%0.325SS..EExtended strand (participates in β ladder)trans-73.9135.6-179.4-162.963.5000111.2R98 F111 V160 L162 N220 P221R98-L218 PolarHBondContact NH2-O 2.7Å; F111-L218 HydrophobicContact CE2-CB 4.16Å; F111-L218 HydrophobicContact CE2-CD1 4.34Å; V160-L218 HydrophobicContact CG1-CD1 3.73Å; L162-L218 HydrophobicContact CD2-CD1 3.76Å; L218-N220 VanDerWaalsContact CD1-O 3.32Å; L218-N220 WeakPolarHBondContact CD1-O 3.47Å; L218-P221 HydrophobicContact CD2-CB 4.06Å
219E97.6Very high98.2Very high59 Ų5952.8 Ų52.828%0.27631%0.31SS..EExtended strand (participates in β ladder)trans-106.8-51.8164.3-62-60.3172.300111.2R98 K100 E161 K163R98-E219 IonicContact CZ-OE1 3.58Å; R98-E219 VanDerWaalsContact CZ-OE1 3.31Å; R98-E219 IonicContact CZ-OE2 3.65Å; R98-E219 IonicContact NH1-OE1 2.72Å; R98-E219 PolarHBondContact NH1-OE1 3.2Å; R98-E219 IonicContact NH1-OE2 3.83Å; R98-E219 PolarHBondContact NH1-OE2 2.81Å; R98-E219 IonicContact NH2-OE1 3.49Å; R98-E219 IonicContact NH2-OE2 2.79Å; K100-E219 IonicContact NZ-OE2 3.41Å; K100-E219 PolarHBondContact NZ-OE2 3.42Å; K100-E219 VanDerWaalsContact NZ-OE2 3.08Å; E161-E219 HydrophobicContact CB-CB 3.94Å; E161-E219 PolarHBondContact O-N 2.89Å; K163-E219 HydrophobicContact CB-CG 3.77Å; K163-E219 VanDerWaalsContact CB-OE1 3.28Å; K163-E219 WeakPolarHBondContact CB-OE1 3.5Å; K163-E219 WeakPolarHBondContact CD-OE1 3.34Å
220N97.9Very high98.3Very high68 Ų6851.7 Ų51.736%0.36431%0.307SS..EExtended strand (participates in β ladder)trans-122123.5178-168.760.7000110.8D159 V160 E161 L218D159-N220 PolarHBondContact O-ND2 2.84Å; V160-N220 WeakPolarHBondContact CA-O 3.47Å; E161-N220 HydrophobicContact CB-CB 3.78Å; E161-N220 HydrophobicContact CG-CB 3.93Å; E161-N220 PolarHBondContact N-O 2.95Å; E161-N220 PolarHBondContact O-N 2.69Å; L218-N220 VanDerWaalsContact CD1-O 3.32Å; L218-N220 WeakPolarHBondContact CD1-O 3.47Å
221P98Very high98.2Very high89 Ų8958 Ų5858%0.57833%0.332SS*.  trans-73156.4176.832.2-35.5000111.7L218L218-P221 HydrophobicContact CD2-CB 4.06Å
222G97.6Very high98.2Very high48 Ų4860.2 Ų60.250%0.49534%0.343SS..  trans171-163-178.800000110.8V160V160-G222 VanDerWaalsContact CG2-CA 3.45Å
223T97.9Very high98Very high79 Ų7962.8 Ų62.849%0.48536%0.357SS..  trans-118135.2176.9-60.40000109.9R225T223-R225 HydrophobicContact CG2-CG 4.47Å
224I98.1Very high96.7Very high66 Ų6666.7 Ų66.734%0.33840%0.396SS..  trans-111.4151.516966.5178.6000109.7I139 I157 V160 D228I139-I224 HydrophobicContact CD1-CD1 3.59Å; I139-I224 HydrophobicContact CG1-CD1 3.88Å; I157-I224 HydrophobicContact CB-CG2 3.85Å; I157-I224 HydrophobicContact CG2-CB 4.07Å; I157-I224 HydrophobicContact CG2-CG2 3.8Å; I157-I224 WeakPolarHBondContact O-CG2 3.35Å; V160-I224 HydrophobicContact CB-CG2 3.7Å; V160-I224 HydrophobicContact CG1-CG2 4.36Å; V160-I224 HydrophobicContact CG2-CG2 3.63Å; I224-D228 WeakPolarHBondContact CA-OD2 3.4Å
225R98.1Very high94.7Very high165 Ų16576.6 Ų76.662%0.62344%0.443SS*.  trans-132.4153176.5-63.7177.8-178.876.31.9110.4T223 G227 D228T223-R225 HydrophobicContact CG2-CG 4.47Å; R225-G227 PolarHBondContact O-N 3.26Å; R225-D228 PolarHBondContact N-OD2 3Å; R225-D228 WeakPolarHBondContact O-CB 3.34Å; R225-D228 PolarHBondContact O-N 3.03Å
226V98.3Very high94.5Very high159 Ų15978.9 Ų78.996%0.96446%0.459SS*.THydrogen-bonded Turntrans-59129.7167.7176.10000108.3
227G98.1Very high94.2Very high76 Ų7683.1 Ų83.178%0.78448%0.483SS*.THydrogen-bonded Turntrans95.7-9.3-175.700000114.6R225R225-G227 PolarHBondContact O-N 3.26Å
228D98.5Very high94Very high46 Ų4687.7 Ų87.725%0.24651%0.51CS..  trans-63.7135172.6-74.4-13.2000110.4I157 I224 R225I157-D228 HydrophobicContact CG2-CB 3.82Å; I224-D228 WeakPolarHBondContact CA-OD2 3.4Å; R225-D228 PolarHBondContact N-OD2 3Å; R225-D228 WeakPolarHBondContact O-CB 3.34Å; R225-D228 PolarHBondContact O-N 3.03Å
229P98.3Very high93.8Very high66 Ų6689.1 Ų89.143%0.42952%0.52SS..  trans-66148.4173.428.1-33.9000110.9Y231P229-Y231 HydrophobicContact CB-CE2 3.9Å; P229-Y231 HydrophobicContact CG-CE2 3.61Å; P229-Y231 WeakPolarHBondContact CG-OH 3.34Å
230V98.4Very high93.5Very high49 Ų4990.9 Ų90.930%0.29754%0.536SS..EExtended strand (participates in β ladder)trans-107.3119.5175.3-176.50000108.5I141 V155 I157I141-V230 HydrophobicContact CD1-CG1 4.15Å; I141-V230 HydrophobicContact CD1-CG2 3.96Å; I141-V230 HydrophobicContact CG1-CG2 4.12Å; I141-V230 HydrophobicContact CG2-CG2 4.1Å; V155-V230 HydrophobicContact CB-CG1 4.15Å; V155-V230 HydrophobicContact CG1-CG1 4.4Å; I157-V230 HydrophobicContact CD1-CG1 4.38Å; I157-V230 HydrophobicContact CD1-CG2 4.06Å; I157-V230 HydrophobicContact CG1-CB 4.44Å; I157-V230 HydrophobicContact CG1-CG1 4.11Å; I157-V230 HydrophobicContact CG1-CG2 4.05Å
231Y98.1Very high93.3Very high134 Ų13492.5 Ų92.553%0.52555%0.547SS..EExtended strand (participates in β ladder)trans-106.2137.1176.4-56.9-79.2000110.6V155 L156 P229V155-Y231 CarbonylContact C-O 3.59Å; V155-Y231 VanDerWaalsContact CA-O 3.31Å; V155-Y231 WeakPolarHBondContact CA-O 3.09Å; L156-Y231 HydrophobicContact CD2-CD2 4.4Å; L156-Y231 PolarHBondContact N-O 2.8Å; L156-Y231 PolarHBondContact O-N 2.73Å; P229-Y231 HydrophobicContact CB-CE2 3.9Å; P229-Y231 HydrophobicContact CG-CE2 3.61Å; P229-Y231 WeakPolarHBondContact CG-OH 3.34Å
232L97Very high92.9Very high62 Ų6292.7 Ų92.733%0.32555%0.545SS..EExtended strand (participates in β ladder)trans-87.2126.3172.8-55.4-178.2000108.7W152 V155 Q235W152-L232 HydrophobicContact CB-CD2 3.98Å; W152-L232 HydrophobicContact CD2-CD2 3.9Å; W152-L232 HydrophobicContact CG-CD2 3.45Å; W152-L232 VanDerWaalsContact CG-CD2 3.45Å; V155-L232 HydrophobicContact CG1-CD2 3.75Å; L232-Q235 HydrophobicContact CB-CG 4.1Å; L232-Q235 HydrophobicContact CD1-CG 4.48Å
233L94.3Very high92.6Very high54 Ų5496.2 Ų96.228%0.28355%0.549SS..  trans-92.2133.6178.5-58.4-178.2000109.9E154 L156 E161 Q235E154-L233 HydrophobicContact CB-CB 3.94Å; E154-L233 HydrophobicContact CB-CD1 4.46Å; E154-L233 PolarHBondContact O-N 3.49Å; L156-L233 HydrophobicContact CB-CD1 4.15Å; L156-L233 HydrophobicContact CB-CD2 3.94Å; L156-L233 HydrophobicContact CB-CG 4.11Å; L156-L233 HydrophobicContact CD2-CD2 4.45Å; E161-L233 HydrophobicContact CG-CD1 4.16Å; L233-Q235 PolarHBondContact O-N 2.9Å
234G72.8Confident92.1Very high82 Ų8297.6 Ų97.685%0.84555%0.554SS**  trans63.939.1169.200000115.9
235Q55.5Low91.6Very high212 Ų212100.5 Ų100.599%0.99157%0.574SS**  trans-65.90164-73.6-161.2-28.700111.9L232 L233L232-Q235 HydrophobicContact CB-CG 4.1Å; L232-Q235 HydrophobicContact CD1-CG 4.48Å; L233-Q235 PolarHBondContact O-N 2.9Å

Retrieved 235 of 235 residues in 145.2 ms (Link to these results)

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