A0A087Y7K7_POEFO Loading...

Uroporphyrinogen decarboxylase

Catalyzes the sequential decarboxylation of the four acetate side chains of uroporphyrinogen to form coproporphyrinogen and participates in the fifth step in the heme biosynthetic pathway. Isomer I or isomer III of uroporphyrinogen may serve as substrate, but only coproporphyrinogen III can ultimately be converted to heme. In vitro also decarboxylates pentacarboxylate porphyrinogen I.

AlphaFold DB , UniProt , Accession A0A087Y7K7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 368 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
1M33.1Very low64Low247 Ų247122.4 Ų122.4100%1.21764%0.643SS**  090.30-65.3175.1-169.100106.5
2S38.4Very low66.8Low104 Ų104116.3 Ų116.373%0.72761%0.607SS**  trans-83.5115.1179.953.60000108.5N4S2-N4 PolarHBondContact O-N 3.28Å
3N37.5Very low69.2Low142 Ų142110.3 Ų110.376%0.75958%0.58SS**  trans-6383.4162.4-81.13.1000108.1D5N3-D5 PolarHBondContact O-N 3.49Å
4N44.1Very low71.3Confident99 Ų99114.9 Ų114.953%0.52960%0.597SS.*  trans-77.265.9158.7-109.813.7000106.8S2 F6S2-N4 PolarHBondContact O-N 3.28Å; N4-F6 HydrophobicContact CB-CE2 4.33Å; N4-F6 HydrophobicContact CB-CZ 4.45Å; N4-F6 WeakPolarHBondContact O-CD2 3.39Å; N4-F6 PolarHBondContact O-N 3.49Å
5D53.2Low73.1Confident127 Ų127109.9 Ų109.968%0.67957%0.571SS**  trans-66.394.9159.2-75.1-31.1000105N3 I7N3-D5 PolarHBondContact O-N 3.49Å; D5-I7 PolarHBondContact O-N 2.69Å
6F62.9Low74.6Confident134 Ų134113.3 Ų113.359%0.58858%0.58SS**  trans-57107.4179.2-72.4-83.4000108.1N4 L8N4-F6 HydrophobicContact CB-CE2 4.33Å; N4-F6 HydrophobicContact CB-CZ 4.45Å; N4-F6 WeakPolarHBondContact O-CD2 3.39Å; N4-F6 PolarHBondContact O-N 3.49Å; F6-L8 PolarHBondContact O-N 3.08Å
7I80.6Confident76Confident79 Ų79108.7 Ų108.741%0.40556%0.557SS.*  trans-62114.7175.9-59.4-176.5000107.2D5 T140 L141 H144D5-I7 PolarHBondContact O-N 2.69Å; I7-T140 HydrophobicContact CG2-CG2 4.19Å; I7-T140 WeakPolarHBondContact O-CG2 3.31Å; I7-L141 HydrophobicContact CD1-CD1 3.57Å; I7-H144 HydrophobicContact CG2-CB 4.28Å; I7-H144 WeakPolarHBondContact CG2-CD2 3.42Å; I7-H144 VanDerWaalsContact CG2-NE2 3.34Å; I7-H144 WeakPolarHBondContact CG2-NE2 3.33Å
8L83.7Confident77.3Confident95 Ų95106.3 Ų106.350%0.49755%0.546SS..  trans-77.2150-177.5-65.4173.5000110.5F6 K10 H144F6-L8 PolarHBondContact O-N 3.08Å; L8-K10 HydrophobicContact CB-CD 4.31Å; L8-K10 HydrophobicContact CB-CG 3.81Å; L8-K10 HydrophobicContact CD1-CD 4.4Å; L8-K10 PolarHBondContact O-N 3.07Å; L8-H144 PolarHBondContact O-NE2 3.25Å; L8-H144 VanDerWaalsContact O-NE2 3.17Å
9P88.5Confident78.4Confident70 Ų70101 Ų10146%0.45552%0.519SS..SBendtrans-78.255.4177.934.3-37.2000111.7F12 T140 A209P9-F12 HydrophobicContact CB-CZ 4.08Å; P9-T140 HydrophobicContact CB-CG2 4.12Å; P9-A209 WeakPolarHBondContact CB-O 2.99Å
10K89Confident79.4Confident115 Ų11596 Ų9650%0.549%0.493SS..  trans-148.2169.3178.862172.4-168.9175.70109.2L8 F12 H144L8-K10 HydrophobicContact CB-CD 4.31Å; L8-K10 HydrophobicContact CB-CG 3.81Å; L8-K10 HydrophobicContact CD1-CD 4.4Å; L8-K10 PolarHBondContact O-N 3.07Å; K10-F12 PolarHBondContact O-N 3.15Å; K10-F12 VanDerWaalsContact O-N 3.15Å; K10-H144 PolarHBondContact O-CE1 3.38Å; K10-H144 VanDerWaalsContact O-CE1 3.31Å; K10-H144 PolarHBondContact O-NE2 3.03Å
11D93Very high80.3Confident134 Ų13492.2 Ų92.272%0.71747%0.473SS*.SBendtrans5536174.8-49-43.6000112.1
12F97.6Very high83.4Confident49 Ų4982.7 Ų82.722%0.21542%0.424CS..PPolyproline II helixtrans-63.6144.2179.5-68.5-62.1000110.7P9 K10 E14 T140 R143 H144 A210P9-F12 HydrophobicContact CB-CZ 4.08Å; K10-F12 PolarHBondContact O-N 3.15Å; K10-F12 VanDerWaalsContact O-N 3.15Å; F12-E14 PolarHBondContact O-N 3.09Å; F12-T140 HydrophobicContact CE1-CG2 4.15Å; F12-T140 HydrophobicContact CZ-CG2 4.31Å; F12-R143 HydrophobicContact CB-CG 4.27Å; F12-R143 HydrophobicContact CD1-CB 3.93Å; F12-R143 HydrophobicContact CD1-CG 3.31Å; F12-R143 HydrophobicContact CD2-CG 4.38Å; F12-R143 HydrophobicContact CE1-CB 3.76Å; F12-R143 HydrophobicContact CE1-CG 3.58Å; F12-R143 HydrophobicContact CG-CG 3.75Å; F12-R143 HydrophobicContact CZ-CB 4.5Å; F12-R143 HydrophobicContact CZ-CG 4.22Å; F12-H144 AromaticContact CD1-CD2 3.56Å; F12-H144 AromaticContact CD1-CE1 3.76Å; F12-H144 AromaticContact CD1-NE2 3.4Å; F12-H144 WeakPolarHBondContact CD1-NE2 3.29Å; F12-H144 AromaticContact CE1-CD2 3.46Å; F12-H144 VanDerWaalsContact CE1-CD2 3.46Å; F12-H144 WeakPolarHBondContact CE1-CD2 3.44Å; F12-H144 AromaticContact CE1-NE2 3.46Å; F12-H144 WeakPolarHBondContact CE1-NE2 3.47Å; F12-A210 WeakPolarHBondContact CZ-O 3.35Å
13P97.9Very high86.3Confident39 Ų3977.7 Ų77.725%0.25339%0.389SS..PPolyproline II helixtrans-53.4139173.4-27.335.6000112.4
14E98.1Very high89.2Confident174 Ų17471 Ų7181%0.81335%0.354SS*.PPolyproline II helixtrans-60.3137.5175.9-173.7177.2-174.500110.9F12 K16 G148F12-E14 PolarHBondContact O-N 3.09Å; E14-K16 PolarHBondContact O-N 3.05Å; E14-G148 VanDerWaalsContact O-CA 3.32Å; E14-G148 WeakPolarHBondContact O-CA 3.35Å
15L98.4Very high91.7Very high40 Ų4071 Ų7121%0.20935%0.346CS..PPolyproline II helixtrans-73.5126.7-177.9-173.567.7000110.7D18 L21 V150L15-D18 HydrophobicContact CD2-CB 3.55Å; L15-D18 HydrophobicContact CG-CB 4.27Å; L15-L21 HydrophobicContact CD2-CD1 3.61Å; L15-V150 VanDerWaalsContact CD1-C 3.47Å
16K98.4Very high93.8Very high164 Ų16465.8 Ų65.871%0.71332%0.322SS*.SBendtrans-96-38.5-177.1-60.9174.1-177.1160.90113.1E14 E147 G148E14-K16 PolarHBondContact O-N 3.05Å; K16-E147 PolarHBondContact NZ-O 3.17Å; K16-G148 WeakPolarHBondContact CB-O 3.35Å; K16-G148 PolarHBondContact N-O 3.37Å
17N98.2Very high95.4Very high36 Ų3663.5 Ų63.519%0.19331%0.314CS..  trans-117.8109.5172.3179.68.1000108.9T19 D80 K149 V150 P151N17-T19 WeakPolarHBondContact OD1-CB 3.29Å; N17-T19 PolarHBondContact OD1-N 3.41Å; N17-T19 VanDerWaalsContact OD1-N 3.09Å; N17-T19 PolarHBondContact OD1-OG1 3.4Å; N17-D80 PolarHBondContact ND2-OD1 3.05Å; N17-K149 VanDerWaalsContact CB-O 3.29Å; N17-K149 WeakPolarHBondContact CB-O 3.25Å; N17-V150 HydrophobicContact CB-CG1 4.36Å; N17-P151 VanDerWaalsContact O-CD 3.25Å; N17-P151 WeakPolarHBondContact O-CD 3.46Å
18D98.1Very high95.8Very high66 Ų6663.4 Ų63.435%0.35331%0.311SS..  trans-1078.2179.474.7-13.4000113.3L15 F20 L21 R22L15-D18 HydrophobicContact CD2-CB 3.55Å; L15-D18 HydrophobicContact CG-CB 4.27Å; D18-F20 PolarHBondContact O-N 3.29Å; D18-F20 VanDerWaalsContact O-N 3.15Å; D18-L21 WeakPolarHBondContact O-CA 3.38Å; D18-L21 WeakPolarHBondContact O-CB 3.41Å; D18-L21 PolarHBondContact O-N 3.02Å; D18-R22 PolarHBondContact O-N 2.82Å; D18-R22 IonicContact OD1-CZ 2.55Å; D18-R22 IonicContact OD1-NE 3.8Å; D18-R22 PolarHBondContact OD1-NE 3.28Å; D18-R22 IonicContact OD1-NH2 3.76Å; D18-R22 IonicContact OD2-NE 2.67Å
19T98.4Very high96.2Very high5 Ų559.1 Ų59.13%0.03129%0.289CS..Hα-helixtrans-54.6-40.2-171.8-54.70000112.3N17 R22 A23 P29 H31 P33N17-T19 WeakPolarHBondContact OD1-CB 3.29Å; N17-T19 PolarHBondContact OD1-N 3.41Å; N17-T19 VanDerWaalsContact OD1-N 3.09Å; N17-T19 PolarHBondContact OD1-OG1 3.4Å; T19-R22 PolarHBondContact O-N 2.81Å; T19-A23 WeakPolarHBondContact O-CB 3.32Å; T19-A23 PolarHBondContact O-N 3.35Å; T19-P29 HydrophobicContact CG2-CB 3.62Å; T19-H31 WeakPolarHBondContact CG2-O 3.46Å; T19-P33 HydrophobicContact CG2-CB 4.04Å; T19-P33 HydrophobicContact CG2-CG 4.24Å
20F98.8Very high96.4Very high1 Ų162.8 Ų62.80%0.00430%0.301CS..Hα-helixtrans-60.2-44.3173.7168.6-93.1000112.9D18 A23 A24 P33 W35 D80 A81 P151 I153 A214 I259 I334D18-F20 PolarHBondContact O-N 3.29Å; D18-F20 VanDerWaalsContact O-N 3.15Å; F20-A23 PolarHBondContact O-N 2.91Å; F20-A24 WeakPolarHBondContact O-CB 3.29Å; F20-A24 PolarHBondContact O-N 3.29Å; F20-P33 HydrophobicContact CB-CB 4.12Å; F20-W35 AromaticContact CE2-CD1 3.73Å; F20-W35 AromaticContact CE2-NE1 3.51Å; F20-D80 HydrophobicContact CB-CB 4.46Å; F20-D80 WeakPolarHBondContact CB-O 3.47Å; F20-A81 HydrophobicContact CB-CB 4.24Å; F20-A81 HydrophobicContact CD1-CB 4.09Å; F20-A81 HydrophobicContact CD2-CB 3.87Å; F20-A81 HydrophobicContact CE1-CB 4.39Å; F20-A81 HydrophobicContact CE2-CB 4.19Å; F20-A81 HydrophobicContact CG-CB 3.8Å; F20-A81 HydrophobicContact CZ-CB 4.42Å; F20-P151 HydrophobicContact CB-CG 3.89Å; F20-P151 HydrophobicContact CD1-CB 4.26Å; F20-P151 HydrophobicContact CD1-CG 3.58Å; F20-P151 HydrophobicContact CE1-CG 4.49Å; F20-P151 HydrophobicContact CG-CG 4.08Å; F20-I153 HydrophobicContact CE1-CD1 4.11Å; F20-I153 HydrophobicContact CE1-CG1 3.98Å; F20-I153 HydrophobicContact CE2-CD1 4.01Å; F20-I153 HydrophobicContact CZ-CD1 3.53Å; F20-I153 HydrophobicContact CZ-CG1 3.86Å; F20-A214 HydrophobicContact CE1-CB 3.67Å; F20-A214 HydrophobicContact CZ-CB 4.27Å; F20-I259 HydrophobicContact CE2-CD1 4.49Å; F20-I259 HydrophobicContact CZ-CD1 3.87Å; F20-I334 HydrophobicContact CD2-CD1 3.99Å; F20-I334 HydrophobicContact CD2-CG1 4.37Å; F20-I334 HydrophobicContact CD2-CG2 3.86Å; F20-I334 HydrophobicContact CE2-CD1 3.82Å; F20-I334 HydrophobicContact CE2-CG2 3.97Å
21L98.6Very high96.8Very high16 Ų1658.2 Ų58.28%0.08428%0.281CS..Hα-helixtrans-69.3-37-179.3-62.2-179.7000111.7L15 D18 R25 P151 Q213 A214 P257L15-L21 HydrophobicContact CD2-CD1 3.61Å; D18-L21 WeakPolarHBondContact O-CA 3.38Å; D18-L21 WeakPolarHBondContact O-CB 3.41Å; D18-L21 PolarHBondContact O-N 3.02Å; L21-R25 WeakPolarHBondContact O-CG 3.34Å; L21-R25 PolarHBondContact O-N 3.24Å; L21-R25 PolarHBondContact O-NH1 2.99Å; L21-P151 HydrophobicContact CD1-CB 4.16Å; L21-P151 HydrophobicContact CD2-CB 4Å; L21-P151 HydrophobicContact CD2-CG 4.41Å; L21-P151 HydrophobicContact CG-CB 3.94Å; L21-P151 HydrophobicContact CG-CG 4.12Å; L21-Q213 HydrophobicContact CD1-CB 4.37Å; L21-Q213 HydrophobicContact CD2-CB 4.36Å; L21-Q213 WeakPolarHBondContact CD2-O 3.18Å; L21-A214 HydrophobicContact CD2-CB 4.22Å; L21-P257 HydrophobicContact CD2-CG 3.9Å
22R98.1Very high97Very high47 Ų4751.9 Ų51.918%0.17725%0.247CC..Hα-helixtrans-65.7-47.7174.6-68.2-168.6-66.8124.8-3.3111.5D18 T19 A24 R25 G26 E27 E28D18-R22 PolarHBondContact O-N 2.82Å; D18-R22 IonicContact OD1-CZ 2.55Å; D18-R22 IonicContact OD1-NE 3.8Å; D18-R22 PolarHBondContact OD1-NE 3.28Å; D18-R22 IonicContact OD1-NH2 3.76Å; D18-R22 IonicContact OD2-NE 2.67Å; T19-R22 PolarHBondContact O-N 2.81Å; R22-A24 VanDerWaalsContact C-N 3.31Å; R22-A24 PolarHBondContact O-N 3.3Å; R22-R25 CarbonylContact O-C 3.54Å; R22-R25 PolarHBondContact O-N 3.45Å; R22-G26 PolarHBondContact O-N 2.55Å; R22-E27 HydrophobicContact CB-CB 4.05Å; R22-E27 WeakPolarHBondContact CD-OE2 3.48Å; R22-E27 WeakPolarHBondContact CG-OE2 3.32Å; R22-E27 WeakPolarHBondContact O-CB 3.48Å; R22-E27 PolarHBondContact O-N 3.43Å; R22-E27 VanDerWaalsContact O-N 3.08Å; R22-E28 PolarHBondContact NH1-O 3.19Å
23A98.4Very high97.1Very high0 Ų049.5 Ų49.50%024%0.237CC..Hα-helixtrans-62.1-37.8176.200000112.3T19 F20 R25 G26 P33 S300 I334T19-A23 WeakPolarHBondContact O-CB 3.32Å; T19-A23 PolarHBondContact O-N 3.35Å; F20-A23 PolarHBondContact O-N 2.91Å; A23-R25 PolarHBondContact O-N 3.45Å; A23-G26 PolarHBondContact O-N 3.38Å; A23-P33 HydrophobicContact CB-CG 3.44Å; A23-P33 VanDerWaalsContact CB-CG 3.44Å; A23-S300 WeakPolarHBondContact O-CB 3.32Å; A23-S300 PolarHBondContact O-OG 2.94Å; A23-I334 HydrophobicContact CB-CG1 3.87Å
24A98.6Very high97.2Very high1 Ų147.7 Ų47.71%0.00823%0.225CC..Hα-helixtrans-59.4-33.7174.400000112.1F20 R22 G26 P257 V279 S300 I334F20-A24 WeakPolarHBondContact O-CB 3.29Å; F20-A24 PolarHBondContact O-N 3.29Å; R22-A24 VanDerWaalsContact C-N 3.31Å; R22-A24 PolarHBondContact O-N 3.3Å; A24-G26 VanDerWaalsContact C-N 3.33Å; A24-P257 HydrophobicContact CB-CB 3.73Å; A24-P257 HydrophobicContact CB-CG 3.9Å; A24-V279 HydrophobicContact CB-CG2 3.77Å; A24-S300 PolarHBondContact O-OG 2.98Å; A24-I334 HydrophobicContact CB-CD1 3.97Å
25R97.9Very high97.2Very high98 Ų9839.4 Ų39.437%0.3719%0.186SC..THydrogen-bonded Turntrans-86.43.8176.4-65.6-174.4-177.493.3-2.4114.5L21 R22 A23 E27 D255L21-R25 WeakPolarHBondContact O-CG 3.34Å; L21-R25 PolarHBondContact O-N 3.24Å; L21-R25 PolarHBondContact O-NH1 2.99Å; R22-R25 CarbonylContact O-C 3.54Å; R22-R25 PolarHBondContact O-N 3.45Å; A23-R25 PolarHBondContact O-N 3.45Å; R25-E27 VanDerWaalsContact C-N 3.31Å; R25-E27 HydrophobicContact CB-CG 4.43Å; R25-E27 PolarHBondContact O-N 3.42Å; R25-D255 PolarHBondContact NH2-O 3.17Å
26G96.8Very high97.2Very high18 Ų1837.5 Ų37.519%0.18618%0.176CC..THydrogen-bonded Turntrans79.111.9178.500000114.7R22 A23 A24 S300 R331R22-G26 PolarHBondContact O-N 2.55Å; A23-G26 PolarHBondContact O-N 3.38Å; A24-G26 VanDerWaalsContact C-N 3.33Å; G26-S300 PolarHBondContact N-OG 3.08Å; G26-R331 PolarHBondContact O-NE 3.25Å
27E95.8Very high97.2Very high86 Ų8629.9 Ų29.940%0.40214%0.143SC..PPolyproline II helixtrans-72.1156.6172.5-60.2172.4-146.100110.5R22 R25 P29R22-E27 HydrophobicContact CB-CB 4.05Å; R22-E27 WeakPolarHBondContact CD-OE2 3.48Å; R22-E27 WeakPolarHBondContact CG-OE2 3.32Å; R22-E27 WeakPolarHBondContact O-CB 3.48Å; R22-E27 PolarHBondContact O-N 3.43Å; R22-E27 VanDerWaalsContact O-N 3.08Å; R25-E27 VanDerWaalsContact C-N 3.31Å; R25-E27 HydrophobicContact CB-CG 4.43Å; R25-E27 PolarHBondContact O-N 3.42Å; E27-P29 WeakPolarHBondContact O-CD 3.16Å
28E90.3Very high97.3Very high77 Ų7734.4 Ų34.436%0.3616%0.157SC..PPolyproline II helixtrans-78.4122.2176.3-165.275.3-146.700109.6R22 T330 R331R22-E28 PolarHBondContact NH1-O 3.19Å; E28-T330 PolarHBondContact OE1-OG1 3.38Å; E28-R331 VanDerWaalsContact OE2-CB 3.25Å; E28-R331 WeakPolarHBondContact OE2-CB 3.46Å; E28-R331 WeakPolarHBondContact OE2-CD 3.3Å; E28-R331 WeakPolarHBondContact OE2-CG 2.96Å
29P91.6Very high97.3Very high5 Ų531.3 Ų31.33%0.03214%0.141CC..PPolyproline II helixtrans-91.3166.5179.239.1-36.6000111.9T19 E27 H31 I365T19-P29 HydrophobicContact CG2-CB 3.62Å; E27-P29 WeakPolarHBondContact O-CD 3.16Å; P29-H31 VanDerWaalsContact C-N 3.33Å; P29-H31 WeakPolarHBondContact CB-O 3.41Å; P29-H31 WeakPolarHBondContact CG-O 3.16Å; P29-I365 WeakPolarHBondContact O-CD1 3.31Å
30E91.9Very high97.3Very high148 Ų14831.8 Ų31.869%0.69215%0.145SC*.SBendtrans-75.1-25.8173.8-63.1-174.5175.400112.7I365E30-I365 WeakPolarHBondContact O-CD1 3.38Å
31H97.4Very high97.2Very high19 Ų1932 Ų329%0.08815%0.148CC..SBendtrans-150156.7169.463.6-89.7000108.1T19 P29 P33 D80 H358 K362T19-H31 WeakPolarHBondContact CG2-O 3.46Å; P29-H31 VanDerWaalsContact C-N 3.33Å; P29-H31 WeakPolarHBondContact CB-O 3.41Å; P29-H31 WeakPolarHBondContact CG-O 3.16Å; H31-P33 WeakPolarHBondContact O-CD 3.39Å; H31-D80 IonicContact CD2-OD2 3.83Å; H31-D80 IonicContact CE1-OD1 2.79Å; H31-D80 IonicContact NE2-OD1 3.25Å; H31-D80 PolarHBondContact NE2-OD1 3.26Å; H31-D80 IonicContact NE2-OD2 2.75Å; H31-D80 PolarHBondContact NE2-OD2 3.28Å; H31-H358 AromaticContact CD2-CD2 3.38Å; H31-H358 PolarHBondContact CD2-CD2 3.04Å; H31-H358 AromaticContact CD2-NE2 3.6Å; H31-H358 AromaticContact NE2-CD2 3.82Å; H31-H358 AromaticContact NE2-NE2 3.55Å; H31-K362 HydrophobicContact CB-CD 4.39Å; H31-K362 HydrophobicContact CB-CG 3.75Å
32V98.7Very high97.1Very high0 Ų038.1 Ų38.10%017%0.17CC..  trans-67.2120.9174.9168.70000108.4L325 T330 Y333 A335 V357 S361V32-L325 HydrophobicContact CB-CD2 3.93Å; V32-L325 HydrophobicContact CG1-CD2 4Å; V32-L325 HydrophobicContact CG2-CD2 3.79Å; V32-T330 HydrophobicContact CG2-CG2 4.31Å; V32-Y333 HydrophobicContact CB-CD1 4.43Å; V32-Y333 HydrophobicContact CG1-CD1 3.48Å; V32-Y333 VanDerWaalsContact CG1-CD1 3.48Å; V32-Y333 HydrophobicContact CG1-CE1 3.8Å; V32-Y333 HydrophobicContact CG1-CG 4.33Å; V32-Y333 HydrophobicContact CG2-CD1 4.06Å; V32-A335 HydrophobicContact CG1-CB 3.89Å; V32-V357 HydrophobicContact CB-CG1 4.23Å; V32-V357 HydrophobicContact CG1-CG1 4.14Å; V32-V357 WeakPolarHBondContact O-CG1 3.3Å; V32-S361 PolarHBondContact N-OG 3.17Å
33P98.9Very high97.1Very high0 Ų036.1 Ų36.10%016%0.162CC..  trans-70.8146.6-179.328.4-33.2000110.9T19 F20 A23 H31 D80 I334 A335T19-P33 HydrophobicContact CG2-CB 4.04Å; T19-P33 HydrophobicContact CG2-CG 4.24Å; F20-P33 HydrophobicContact CB-CB 4.12Å; A23-P33 HydrophobicContact CB-CG 3.44Å; A23-P33 VanDerWaalsContact CB-CG 3.44Å; H31-P33 WeakPolarHBondContact O-CD 3.39Å; P33-D80 VanDerWaalsContact CA-OD2 3.28Å; P33-D80 WeakPolarHBondContact CA-OD2 3.35Å; P33-D80 HydrophobicContact CB-CB 3.59Å; P33-I334 HydrophobicContact CG-CG1 4.08Å; P33-I334 HydrophobicContact CG-CG2 4.45Å; P33-A335 PolarHBondContact O-N 2.96Å
34V98.9Very high97.1Very high0 Ų036.1 Ų36.10%016%0.162CC..BIsolated β-bridgetrans-132.9139.1-178.465.30000112.8D80 A335 F353 V354 V357V34-D80 PolarHBondContact N-OD2 3.18Å; V34-D80 PolarHBondContact O-N 3.3Å; V34-A335 WeakPolarHBondContact CA-O 3.41Å; V34-A335 HydrophobicContact CB-CB 4.03Å; V34-A335 HydrophobicContact CG2-CB 3.94Å; V34-F353 HydrophobicContact CG2-CD1 4.19Å; V34-F353 HydrophobicContact CG2-CE1 3.39Å; V34-F353 HydrophobicContact CG2-CZ 3.86Å; V34-V354 HydrophobicContact CG1-CB 4.3Å; V34-V354 HydrophobicContact CG1-CG1 3.79Å; V34-V354 HydrophobicContact CG1-CG2 4.28Å; V34-V357 HydrophobicContact CB-CB 4.23Å; V34-V357 HydrophobicContact CB-CG1 3.96Å; V34-V357 HydrophobicContact CB-CG2 4.45Å; V34-V357 HydrophobicContact CG1-CB 4.36Å; V34-V357 HydrophobicContact CG1-CG1 4.36Å; V34-V357 HydrophobicContact CG2-CB 4.42Å; V34-V357 HydrophobicContact CG2-CG2 4.13Å
35W98.9Very high97Very high0 Ų038.4 Ų38.40%018%0.177CC..  trans-147167.4166.571.1-76.2000108.8F20 M37 A81 I83 I153 Q216 A335 N336F20-W35 AromaticContact CE2-CD1 3.73Å; F20-W35 AromaticContact CE2-NE1 3.51Å; W35-M37 HydrophobicContact CH2-CG 3.95Å; W35-M37 HydrophobicContact CZ3-CG 4.11Å; W35-A81 HydrophobicContact CB-CB 4.09Å; W35-A81 HydrophobicContact CG-CB 4.19Å; W35-I83 HydrophobicContact CE3-CB 4.47Å; W35-I83 HydrophobicContact CE3-CG2 4.28Å; W35-I83 HydrophobicContact CH2-CD1 3.98Å; W35-I83 HydrophobicContact CZ3-CB 4.07Å; W35-I83 HydrophobicContact CZ3-CD1 3.85Å; W35-I83 HydrophobicContact CZ3-CG2 3.95Å; W35-I153 HydrophobicContact CD2-CD1 3.87Å; W35-I153 HydrophobicContact CE3-CD1 4.22Å; W35-I153 HydrophobicContact CG-CD1 4.36Å; W35-I153 HydrophobicContact CH2-CD1 4.25Å; W35-I153 HydrophobicContact CZ2-CD1 3.88Å; W35-I153 HydrophobicContact CZ3-CD1 4.41Å; W35-Q216 VanDerWaalsContact CZ2-OE1 3.3Å; W35-A335 PolarHBondContact N-O 3.29Å; W35-N336 VanDerWaalsContact CZ2-ND2 3.28Å; W35-N336 WeakPolarHBondContact CZ2-ND2 3.18Å; W35-N336 PolarHBondContact NE1-ND2 3.05Å; W35-N336 WeakPolarHBondContact O-CA 3.31Å; W35-N336 PolarHBondContact O-ND2 3.25Å; W35-N336 PolarHBondContact O-OD1 3.26Å
36C98.9Very high97Very high0 Ų035.6 Ų35.60%017%0.168CC..  trans-121.5130.3-179.7-72.80000111.7R38 Q39 F79 N336 L341C36-R38 PolarHBondContact O-N 3.36Å; C36-Q39 HydrophobicContact CB-CB 4.08Å; C36-Q39 VanDerWaalsContact N-OE1 3.14Å; C36-Q39 VanDerWaalsContact O-CB 3.27Å; C36-Q39 WeakPolarHBondContact O-CB 3.42Å; C36-Q39 WeakPolarHBondContact O-CG 3.32Å; C36-Q39 PolarHBondContact O-N 3.49Å; C36-Q39 PolarHBondContact O-OE1 3.28Å; C36-F79 HydrophobicContact CB-CE1 4.1Å; C36-F79 HydrophobicContact CB-CZ 4.02Å; C36-N336 WeakPolarHBondContact CA-OD1 3.3Å; C36-L341 HydrophobicContact CB-CD1 3.92Å; C36-L341 HydrophobicContact CB-CG 4.38Å
37M98.8Very high97.1Very high5 Ų535.3 Ų35.33%0.02516%0.162CC..THydrogen-bonded Turntrans-55.6131.8163.3-75.7-175.5-82.500109.7W35 Q39 F218 F261 N336 L337 G340 L341W35-M37 HydrophobicContact CH2-CG 3.95Å; W35-M37 HydrophobicContact CZ3-CG 4.11Å; M37-Q39 VanDerWaalsContact C-N 3.28Å; M37-Q39 PolarHBondContact O-N 2.95Å; M37-F218 HydrophobicContact CG-CE1 4.28Å; M37-F218 HydrophobicContact SD-CE1 3.79Å; M37-F261 HydrophobicContact CE-CE2 4.15Å; M37-F261 HydrophobicContact CE-CZ 4.12Å; M37-F261 HydrophobicContact SD-CD1 4.21Å; M37-F261 HydrophobicContact SD-CE1 4.09Å; M37-F261 HydrophobicContact SD-CG 4.48Å; M37-F261 HydrophobicContact SD-CZ 4.29Å; M37-N336 PolarHBondContact N-OD1 3.03Å; M37-L337 WeakPolarHBondContact CE-O 3.39Å; M37-G340 VanDerWaalsContact O-CA 3.27Å; M37-G340 WeakPolarHBondContact O-CA 3.35Å; M37-L341 PolarHBondContact O-N 3.38Å
38R98.6Very high97Very high131 Ų13137.8 Ų37.849%0.49417%0.168SC..THydrogen-bonded Turntrans59.729.5-172.4-54.5-179.1176.8-178.3-2.9114.8C36 A40 G41 L341C36-R38 PolarHBondContact O-N 3.36Å; R38-A40 CarbonylContact O-C 3.55Å; R38-A40 PolarHBondContact O-N 3.41Å; R38-G41 PolarHBondContact O-N 3.31Å; R38-L341 HydrophobicContact CB-CB 4.41Å
39Q98.4Very high97.3Very high1 Ų140.9 Ų40.91%0.00518%0.182CC..SBendtrans-54-36.7170.961.4-17350.300112.8C36 M37 G41 Y43 P73 F79 A81 I83C36-Q39 HydrophobicContact CB-CB 4.08Å; C36-Q39 VanDerWaalsContact N-OE1 3.14Å; C36-Q39 VanDerWaalsContact O-CB 3.27Å; C36-Q39 WeakPolarHBondContact O-CB 3.42Å; C36-Q39 WeakPolarHBondContact O-CG 3.32Å; C36-Q39 PolarHBondContact O-N 3.49Å; C36-Q39 PolarHBondContact O-OE1 3.28Å; M37-Q39 VanDerWaalsContact C-N 3.28Å; M37-Q39 PolarHBondContact O-N 2.95Å; Q39-G41 PolarHBondContact O-N 2.87Å; Q39-Y43 WeakPolarHBondContact O-CE1 3.32Å; Q39-Y43 PolarHBondContact O-OH 3.17Å; Q39-Y43 VanDerWaalsContact O-OH 3.1Å; Q39-P73 HydrophobicContact CB-CB 3.99Å; Q39-P73 HydrophobicContact CB-CG 4.13Å; Q39-P73 HydrophobicContact CG-CB 4.24Å; Q39-P73 HydrophobicContact CG-CG 4.13Å; Q39-P73 WeakPolarHBondContact O-CG 3.43Å; Q39-F79 HydrophobicContact CB-CD2 4.47Å; Q39-F79 HydrophobicContact CB-CE2 3.77Å; Q39-F79 HydrophobicContact CB-CZ 4.1Å; Q39-A81 PolarHBondContact NE2-O 3.45Å; Q39-I83 HydrophobicContact CG-CG2 4.09Å
40A98.2Very high97.2Very high14 Ų1442.3 Ų42.312%0.11619%0.189CC..SBendtrans-85.395164.100000108.5R38 L69 P73 F85R38-A40 CarbonylContact O-C 3.55Å; R38-A40 PolarHBondContact O-N 3.41Å; A40-L69 VanDerWaalsContact CB-O 3.24Å; A40-L69 WeakPolarHBondContact CB-O 3.25Å; A40-P73 HydrophobicContact CB-CG 4.13Å; A40-F85 HydrophobicContact CB-CD2 4.36Å
41G96.9Very high97.2Very high7 Ų737.3 Ų37.37%0.07216%0.164CC..SBendtrans-159.3172.4-171.200000115.3R38 Q39 Y43 L44 F47R38-G41 PolarHBondContact O-N 3.31Å; Q39-G41 PolarHBondContact O-N 2.87Å; G41-Y43 PolarHBondContact O-N 3.13Å; G41-L44 WeakPolarHBondContact O-CB 3.42Å; G41-L44 PolarHBondContact O-N 3.13Å; G41-F47 VanDerWaalsContact C-CD1 3.49Å; G41-F47 VanDerWaalsContact C-CG 3.45Å; G41-F47 VanDerWaalsContact O-CB 3.24Å; G41-F47 WeakPolarHBondContact O-CB 3.34Å; G41-F47 VanDerWaalsContact O-CG 3.26Å; G41-F47 WeakPolarHBondContact O-CG 3.44Å
42R96.6Very high96.8Very high143 Ų14339.6 Ų39.654%0.5419%0.186SC..THydrogen-bonded Turntrans-61.1-16.6-171.8-71.9173.3-74.9178.1-2115.5L44 F47 R48 P343R42-L44 PolarHBondContact O-N 2.97Å; R42-F47 HydrophobicContact CG-CD1 4.07Å; R42-F47 HydrophobicContact CG-CE1 3.74Å; R42-R48 VanDerWaalsContact O-CD 3.3Å; R42-R48 WeakPolarHBondContact O-CD 3.21Å; R42-R48 WeakPolarHBondContact O-CG 3.44Å; R42-R48 PolarHBondContact O-NE 2.74Å; R42-P343 HydrophobicContact CB-CB 3.77Å; R42-P343 HydrophobicContact CB-CG 4.29Å
43Y98.3Very high95.9Very high5 Ų544.1 Ų44.12%0.0223%0.232CC..THydrogen-bonded Turntrans-64.9-26173.782.4-81.7000112Q39 G41 F77 L341 Y342 P343 P347 V350Q39-Y43 WeakPolarHBondContact O-CE1 3.32Å; Q39-Y43 PolarHBondContact O-OH 3.17Å; Q39-Y43 VanDerWaalsContact O-OH 3.1Å; G41-Y43 PolarHBondContact O-N 3.13Å; Y43-F77 HydrophobicContact CE2-CE2 4.29Å; Y43-F77 HydrophobicContact CE2-CZ 4.46Å; Y43-F77 WeakPolarHBondContact OH-CE2 3.38Å; Y43-L341 HydrophobicContact CD1-CB 4.25Å; Y43-L341 HydrophobicContact CD1-CD1 3.97Å; Y43-L341 HydrophobicContact CE1-CB 4.46Å; Y43-L341 HydrophobicContact CE1-CD1 3.4Å; Y43-L341 VanDerWaalsContact CE1-CD1 3.4Å; Y43-L341 HydrophobicContact CE2-CD1 4.35Å; Y43-Y342 WeakPolarHBondContact CB-O 3.34Å; Y43-P343 WeakPolarHBondContact CA-O 3.35Å; Y43-P347 HydrophobicContact CD2-CB 4.22Å; Y43-P347 HydrophobicContact CD2-CG 3.89Å; Y43-P347 HydrophobicContact CE2-CB 4.16Å; Y43-P347 HydrophobicContact CE2-CG 4.28Å; Y43-P347 WeakPolarHBondContact O-CG 3.49Å; Y43-V350 HydrophobicContact CD2-CG2 4.08Å; Y43-V350 HydrophobicContact CE2-CB 4.22Å; Y43-V350 HydrophobicContact CE2-CG1 4.49Å; Y43-V350 HydrophobicContact CE2-CG2 3.66Å
44L98.4Very high95.2Very high0 Ų048.2 Ų48.20%025%0.25CS..SBendtrans-80.4126.7173.7-62.4177.8000110.8G41 R42 E46 F47 R48 Q72 P73 F77 P347G41-L44 WeakPolarHBondContact O-CB 3.42Å; G41-L44 PolarHBondContact O-N 3.13Å; R42-L44 PolarHBondContact O-N 2.97Å; L44-E46 HydrophobicContact CB-CG 4.38Å; L44-E46 PolarHBondContact O-N 2.63Å; L44-F47 HydrophobicContact CB-CB 3.8Å; L44-F47 WeakPolarHBondContact O-CB 3.46Å; L44-F47 PolarHBondContact O-N 3.12Å; L44-R48 PolarHBondContact O-N 2.9Å; L44-Q72 HydrophobicContact CD1-CB 4.29Å; L44-P73 HydrophobicContact CD1-CB 4.48Å; L44-P73 HydrophobicContact CD1-CG 4.02Å; L44-F77 HydrophobicContact CD2-CE2 4.32Å; L44-P347 HydrophobicContact CD2-CB 4.17Å; L44-P347 HydrophobicContact CD2-CG 4.17Å
45P97.9Very high94.7Very high49 Ų4951.2 Ų51.232%0.31827%0.267SS..Hα-helixtrans-54.8-47.8171.4-25.834.9000113F47 R48 E49P45-F47 VanDerWaalsContact C-N 3.26Å; P45-F47 PolarHBondContact O-N 3.3Å; P45-R48 WeakPolarHBondContact O-CB 3.2Å; P45-R48 PolarHBondContact O-N 3.2Å; P45-E49 PolarHBondContact O-N 3.41Å
46E97.8Very high94.3Very high39 Ų3952.4 Ų52.418%0.18227%0.272CS..Hα-helixtrans-65.2-26.4-179.262.5-89-153.300113.4L44 I50 Q72 R76L44-E46 HydrophobicContact CB-CG 4.38Å; L44-E46 PolarHBondContact O-N 2.63Å; E46-I50 WeakPolarHBondContact O-CG1 3.47Å; E46-I50 PolarHBondContact O-N 2.91Å; E46-Q72 VanDerWaalsContact C-NE2 3.3Å; E46-Q72 HydrophobicContact CG-CB 4.19Å; E46-Q72 VanDerWaalsContact CG-CD 3.48Å; E46-Q72 HydrophobicContact CG-CG 3.87Å; E46-Q72 PolarHBondContact O-NE2 3.47Å; E46-R76 IonicContact OE1-CZ 3.71Å; E46-R76 IonicContact OE1-NE 3.7Å; E46-R76 PolarHBondContact OE1-NE 2.67Å; E46-R76 IonicContact OE1-NH2 3.44Å; E46-R76 PolarHBondContact OE1-NH2 3.5Å; E46-R76 IonicContact OE2-CZ 3.79Å; E46-R76 IonicContact OE2-NE 2.74Å; E46-R76 IonicContact OE2-NH2 2.77Å; E46-R76 PolarHBondContact OE2-NH2 3.37Å
47F97.2Very high94Very high13 Ų1352.5 Ų52.56%0.05727%0.272CS..Hα-helixtrans-66.6-45171.9177.5-81000110G41 R42 L44 P45 E49 I50 R51 L69 Q72 F85G41-F47 VanDerWaalsContact C-CD1 3.49Å; G41-F47 VanDerWaalsContact C-CG 3.45Å; G41-F47 VanDerWaalsContact O-CB 3.24Å; G41-F47 WeakPolarHBondContact O-CB 3.34Å; G41-F47 VanDerWaalsContact O-CG 3.26Å; G41-F47 WeakPolarHBondContact O-CG 3.44Å; R42-F47 HydrophobicContact CG-CD1 4.07Å; R42-F47 HydrophobicContact CG-CE1 3.74Å; L44-F47 HydrophobicContact CB-CB 3.8Å; L44-F47 WeakPolarHBondContact O-CB 3.46Å; L44-F47 PolarHBondContact O-N 3.12Å; P45-F47 VanDerWaalsContact C-N 3.26Å; P45-F47 PolarHBondContact O-N 3.3Å; F47-E49 VanDerWaalsContact C-N 3.33Å; F47-E49 PolarHBondContact O-N 2.74Å; F47-I50 PolarHBondContact O-N 2.99Å; F47-R51 HydrophobicContact CD1-CG 3.99Å; F47-R51 HydrophobicContact CE1-CG 3.63Å; F47-R51 HydrophobicContact CZ-CG 3.93Å; F47-R51 WeakPolarHBondContact O-CB 3.39Å; F47-R51 VanDerWaalsContact O-CG 3.23Å; F47-R51 WeakPolarHBondContact O-CG 3.37Å; F47-R51 PolarHBondContact O-N 3.04Å; F47-R51 VanDerWaalsContact O-N 3.12Å; F47-L69 HydrophobicContact CB-CD2 4.5Å; F47-L69 HydrophobicContact CD2-CD2 3.62Å; F47-L69 HydrophobicContact CD2-CG 4.48Å; F47-L69 HydrophobicContact CE2-CD1 4.22Å; F47-L69 HydrophobicContact CE2-CD2 4.03Å; F47-L69 HydrophobicContact CG-CD2 4.17Å; F47-Q72 VanDerWaalsContact CA-OE1 3.22Å; F47-F85 AromaticContact CE2-CD2 3.98Å; F47-F85 HydrophobicContact CE2-CD2 3.98Å; F47-F85 AromaticContact CE2-CE2 3.55Å; F47-F85 HydrophobicContact CE2-CE2 3.55Å; F47-F85 HydrophobicContact CE2-CZ 4.34Å; F47-F85 AromaticContact CZ-CE2 3.69Å; F47-F85 HydrophobicContact CZ-CE2 3.69Å; F47-F85 HydrophobicContact CZ-CZ 4.24Å
48R94.8Very high93.7Very high138 Ų13856.8 Ų56.852%0.52130%0.295SS..Hα-helixtrans-64.5-39.1179-68.4-178.4-78.4173.2-6.9111.2R42 L44 P45 R51 A52R42-R48 VanDerWaalsContact O-CD 3.3Å; R42-R48 WeakPolarHBondContact O-CD 3.21Å; R42-R48 WeakPolarHBondContact O-CG 3.44Å; R42-R48 PolarHBondContact O-NE 2.74Å; L44-R48 PolarHBondContact O-N 2.9Å; P45-R48 WeakPolarHBondContact O-CB 3.2Å; P45-R48 PolarHBondContact O-N 3.2Å; R48-R51 PolarHBondContact O-N 2.66Å; R48-A52 WeakPolarHBondContact O-CB 3.24Å; R48-A52 PolarHBondContact O-N 3.37Å
49E95.4Very high93.4Very high141 Ų14150.6 Ų50.666%0.65927%0.272SS*.Hα-helixtrans-60.5-47.8176.6-71172.5-172.100112.3P45 F47 R51 A52P45-E49 PolarHBondContact O-N 3.41Å; F47-E49 VanDerWaalsContact C-N 3.33Å; F47-E49 PolarHBondContact O-N 2.74Å; E49-R51 VanDerWaalsContact C-N 3.31Å; E49-R51 PolarHBondContact O-N 3.31Å; E49-A52 WeakPolarHBondContact O-CB 3.36Å; E49-A52 PolarHBondContact O-N 3.34Å
50I91.1Very high93.2Very high35 Ų3550.6 Ų50.618%0.17927%0.272CS..Hα-helixtrans-67.1-34.4179.5-69.5-170.8000112.5E46 F47 K54 E68 L69E46-I50 WeakPolarHBondContact O-CG1 3.47Å; E46-I50 PolarHBondContact O-N 2.91Å; F47-I50 PolarHBondContact O-N 2.99Å; I50-K54 WeakPolarHBondContact O-CD 3.44Å; I50-K54 WeakPolarHBondContact O-CE 3.42Å; I50-K54 PolarHBondContact O-NZ 2.73Å; I50-E68 HydrophobicContact CD1-CB 4.33Å; I50-E68 HydrophobicContact CD1-CG 3.2Å; I50-L69 HydrophobicContact CB-CD2 3.89Å; I50-L69 HydrophobicContact CD1-CD2 4.29Å; I50-L69 HydrophobicContact CG2-CD1 4.48Å; I50-L69 HydrophobicContact CG2-CD2 3.76Å; I50-L69 HydrophobicContact CG2-CG 4.1Å
51R90.9Very high93.1Very high43 Ų4354.8 Ų54.816%0.16229%0.285CS..Hα-helixtrans-79.9-17.2179.1-71.4-72.5-59.812313113.2F47 R48 E49 G53 K54 D55 T59 L69F47-R51 HydrophobicContact CD1-CG 3.99Å; F47-R51 HydrophobicContact CE1-CG 3.63Å; F47-R51 HydrophobicContact CZ-CG 3.93Å; F47-R51 WeakPolarHBondContact O-CB 3.39Å; F47-R51 VanDerWaalsContact O-CG 3.23Å; F47-R51 WeakPolarHBondContact O-CG 3.37Å; F47-R51 PolarHBondContact O-N 3.04Å; F47-R51 VanDerWaalsContact O-N 3.12Å; R48-R51 PolarHBondContact O-N 2.66Å; E49-R51 VanDerWaalsContact C-N 3.31Å; E49-R51 PolarHBondContact O-N 3.31Å; R51-G53 PolarHBondContact O-N 2.95Å; R51-K54 PolarHBondContact NH1-O 2.69Å; R51-K54 PolarHBondContact NH2-O 3.2Å; R51-K54 PolarHBondContact O-N 3.24Å; R51-D55 PolarHBondContact NH1-O 2.89Å; R51-T59 VanDerWaalsContact NH1-CB 3.3Å; R51-T59 PolarHBondContact NH1-OG1 3.03Å; R51-L69 HydrophobicContact CG-CD1 4.43Å
52A89Confident93.1Very high68 Ų6855.6 Ų55.656%0.56229%0.289SS*.THydrogen-bonded Turntrans-58.8127.3-175.800000111R48 E49 K54R48-A52 WeakPolarHBondContact O-CB 3.24Å; R48-A52 PolarHBondContact O-N 3.37Å; E49-A52 WeakPolarHBondContact O-CB 3.36Å; E49-A52 PolarHBondContact O-N 3.34Å; A52-K54 PolarHBondContact O-N 3.45Å
53G79.5Confident93.1Very high94 Ų9449.8 Ų49.897%0.96927%0.27SS*.THydrogen-bonded Turntrans71.56.4178.300000115.9R51R51-G53 PolarHBondContact O-N 2.95Å
54K84.8Confident93.1Very high86 Ų8654.7 Ų54.737%0.37429%0.293SS..  trans-110.8137.2178.6-62.3-179.3-171.9157.90111.9I50 R51 A52 N65I50-K54 WeakPolarHBondContact O-CD 3.44Å; I50-K54 WeakPolarHBondContact O-CE 3.42Å; I50-K54 PolarHBondContact O-NZ 2.73Å; R51-K54 PolarHBondContact NH1-O 2.69Å; R51-K54 PolarHBondContact NH2-O 3.2Å; R51-K54 PolarHBondContact O-N 3.24Å; A52-K54 PolarHBondContact O-N 3.45Å; K54-N65 PolarHBondContact NZ-OD1 3.18Å
55D89.1Confident93Very high64 Ų6456.5 Ų56.534%0.34230%0.303SS..  trans-58.4148.5166.5177-98.3000110.6R51 F57 D58 T59R51-D55 PolarHBondContact NH1-O 2.89Å; D55-F57 WeakPolarHBondContact OD1-CA 3.42Å; D55-F57 PolarHBondContact OD1-N 3.42Å; D55-D58 HydrophobicContact CB-CB 4.01Å; D55-D58 PolarHBondContact OD1-N 3.06Å; D55-D58 VanDerWaalsContact OD1-N 3.11Å; D55-T59 PolarHBondContact O-N 2.86Å; D55-T59 VanDerWaalsContact O-N 3.16Å; D55-T59 PolarHBondContact O-OG1 3.47Å; D55-T59 VanDerWaalsContact O-OG1 3.11Å
56F90.7Very high93Very high24 Ų2454.2 Ų54.211%0.10529%0.288CS..Hα-helixtrans-66.5-46.4-177.3180-98.6000113.1D58 T59 C60 F85 D87 M101F56-D58 VanDerWaalsContact C-N 3.35Å; F56-T59 WeakPolarHBondContact O-CB 3.34Å; F56-T59 PolarHBondContact O-N 2.72Å; F56-C60 PolarHBondContact O-N 2.91Å; F56-C60 PolarHBondContact O-SG 3.05Å; F56-F85 HydrophobicContact CD2-CZ 4.46Å; F56-F85 HydrophobicContact CE2-CE2 4.45Å; F56-F85 AromaticContact CE2-CZ 3.78Å; F56-F85 HydrophobicContact CE2-CZ 3.78Å; F56-F85 HydrophobicContact CZ-CZ 4.41Å; F56-D87 HydrophobicContact CE1-CB 3.48Å; F56-D87 VanDerWaalsContact CE1-CB 3.48Å; F56-D87 WeakPolarHBondContact CE1-OD2 3.28Å; F56-D87 HydrophobicContact CZ-CB 3.77Å; F56-D87 WeakPolarHBondContact CZ-OD2 3.42Å; F56-M101 HydrophobicContact CB-CB 3.58Å; F56-M101 HydrophobicContact CB-CE 4.37Å; F56-M101 HydrophobicContact CB-CG 3.72Å; F56-M101 HydrophobicContact CD1-CE 3.51Å; F56-M101 HydrophobicContact CD2-CE 4.4Å; F56-M101 HydrophobicContact CE1-CE 3.77Å; F56-M101 HydrophobicContact CG-CB 4.3Å; F56-M101 HydrophobicContact CG-CE 3.84Å; F56-M101 HydrophobicContact CG-CG 4.15Å; F56-M101 HydrophobicContact CZ-CE 4.34Å
57F91.3Very high93Very high3 Ų352.7 Ų52.71%0.01328%0.281CS..Hα-helixtrans-74.2-30.2-179.9-69.8-73.4000111.4D55 T59 C60 R61 D87 L89 V99D55-F57 WeakPolarHBondContact OD1-CA 3.42Å; D55-F57 PolarHBondContact OD1-N 3.42Å; F57-T59 VanDerWaalsContact C-N 3.28Å; F57-T59 PolarHBondContact O-N 3.42Å; F57-C60 PolarHBondContact O-N 3.13Å; F57-R61 WeakPolarHBondContact O-CB 3.41Å; F57-R61 VanDerWaalsContact O-CG 3.3Å; F57-R61 WeakPolarHBondContact O-CG 3.4Å; F57-R61 PolarHBondContact O-N 3.48Å; F57-D87 HydrophobicContact CE1-CB 4.5Å; F57-L89 HydrophobicContact CE1-CB 4.45Å; F57-L89 HydrophobicContact CZ-CB 4.26Å; F57-V99 HydrophobicContact CE2-CB 3.88Å; F57-V99 HydrophobicContact CE2-CG1 3.69Å; F57-V99 HydrophobicContact CZ-CB 3.92Å; F57-V99 HydrophobicContact CZ-CG1 3.67Å
58D92.1Very high93.1Very high95 Ų9554.8 Ų54.851%0.50829%0.292SS..Hα-helixtrans-61.9-37.2170.1-71.9-11.3000112.3D55 F56 R61 S62D55-D58 HydrophobicContact CB-CB 4.01Å; D55-D58 PolarHBondContact OD1-N 3.06Å; D55-D58 VanDerWaalsContact OD1-N 3.11Å; F56-D58 VanDerWaalsContact C-N 3.35Å; D58-R61 PolarHBondContact O-N 3.27Å; D58-R61 IonicContact OD1-NH1 2.92Å; D58-S62 PolarHBondContact O-N 2.87Å
59T93.4Very high93.3Very high0 Ų048.2 Ų48.20%027%0.267CS..Hα-helixtrans-67.8-43.1172.9-61.90000111.5R51 D55 F56 F57 R61 S62 N65 C66 L69 F85R51-T59 VanDerWaalsContact NH1-CB 3.3Å; R51-T59 PolarHBondContact NH1-OG1 3.03Å; D55-T59 PolarHBondContact O-N 2.86Å; D55-T59 VanDerWaalsContact O-N 3.16Å; D55-T59 PolarHBondContact O-OG1 3.47Å; D55-T59 VanDerWaalsContact O-OG1 3.11Å; F56-T59 WeakPolarHBondContact O-CB 3.34Å; F56-T59 PolarHBondContact O-N 2.72Å; F57-T59 VanDerWaalsContact C-N 3.28Å; F57-T59 PolarHBondContact O-N 3.42Å; T59-R61 PolarHBondContact O-N 3.27Å; T59-S62 PolarHBondContact O-N 3.32Å; T59-S62 VanDerWaalsContact O-N 3.14Å; T59-N65 HydrophobicContact CG2-CB 3.92Å; T59-C66 PolarHBondContact O-SG 3.44Å; T59-L69 HydrophobicContact CG2-CD1 3.67Å; T59-F85 HydrophobicContact CG2-CE1 3.93Å
60C94Very high93.4Very high1 Ų141.5 Ų41.51%0.00724%0.235CC..Hα-helixtrans-60-30.6176-63.70000112.2F56 F57 S62 C66 Y134F56-C60 PolarHBondContact O-N 2.91Å; F56-C60 PolarHBondContact O-SG 3.05Å; F57-C60 PolarHBondContact O-N 3.13Å; C60-S62 VanDerWaalsContact C-N 3.34Å; C60-C66 VanDerWaalsContact CA-SG 3.57Å; C60-C66 PolarHBondContact O-SG 3.39Å; C60-Y134 WeakPolarHBondContact O-CD2 3.38Å; C60-Y134 WeakPolarHBondContact O-CE2 3.37Å
61R95.6Very high93.8Very high103 Ų10340.9 Ų40.939%0.38923%0.232SC..THydrogen-bonded Turntrans-81.7-5.8178.8-72.8175-175.9127.6-1.2115.1F57 D58 T59 P63 Y134F57-R61 WeakPolarHBondContact O-CB 3.41Å; F57-R61 VanDerWaalsContact O-CG 3.3Å; F57-R61 WeakPolarHBondContact O-CG 3.4Å; F57-R61 PolarHBondContact O-N 3.48Å; D58-R61 PolarHBondContact O-N 3.27Å; D58-R61 IonicContact OD1-NH1 2.92Å; T59-R61 PolarHBondContact O-N 3.27Å; R61-P63 WeakPolarHBondContact O-CD 3.44Å; R61-Y134 HydrophobicContact CB-CD2 4.41Å; R61-Y134 HydrophobicContact CB-CG 4.38Å; R61-Y134 HydrophobicContact CG-CD1 4.12Å; R61-Y134 HydrophobicContact CG-CD2 4.12Å; R61-Y134 HydrophobicContact CG-CE1 4.13Å; R61-Y134 HydrophobicContact CG-CE2 4.11Å; R61-Y134 HydrophobicContact CG-CG 4.11Å
62S96.8Very high94.2Very high24 Ų2439 Ų3917%0.16823%0.225CC..  trans-101.6109.6175.2166.80000109.9D58 T59 C60 E64 N65 C66D58-S62 PolarHBondContact O-N 2.87Å; T59-S62 PolarHBondContact O-N 3.32Å; T59-S62 VanDerWaalsContact O-N 3.14Å; C60-S62 VanDerWaalsContact C-N 3.34Å; S62-E64 PolarHBondContact O-N 2.93Å; S62-E64 PolarHBondContact OG-OE2 2.92Å; S62-N65 WeakPolarHBondContact CB-ND2 3.27Å; S62-N65 PolarHBondContact O-N 3.44Å; S62-N65 PolarHBondContact OG-N 2.71Å; S62-N65 PolarHBondContact OG-ND2 3Å; S62-C66 PolarHBondContact O-N 2.94Å; S62-C66 PolarHBondContact O-SG 3.31Å
63P97.5Very high94.6Very high21 Ų2135.7 Ų35.714%0.13620%0.198CC..Hα-helixtrans-52.8-40.4176.3-30.138.3000113.3R61 C66 C67 K137 A138 L141R61-P63 WeakPolarHBondContact O-CD 3.44Å; P63-C66 PolarHBondContact O-N 3.43Å; P63-C67 WeakPolarHBondContact O-CB 3.37Å; P63-C67 PolarHBondContact O-N 3.08Å; P63-K137 HydrophobicContact CB-CB 4.11Å; P63-K137 HydrophobicContact CG-CB 3.62Å; P63-A138 HydrophobicContact CB-CB 4.34Å; P63-L141 HydrophobicContact CB-CD2 4.24Å
64E96.9Very high95.5Very high107 Ų10731.8 Ų31.850%0.516%0.155SC..Hα-helixtrans-68.1-45.4-178.9-58.175.1-16400111.7S62 C67 E68 L141S62-E64 PolarHBondContact O-N 2.93Å; S62-E64 PolarHBondContact OG-OE2 2.92Å; E64-C67 PolarHBondContact O-N 3.44Å; E64-E68 VanDerWaalsContact O-CB 3.28Å; E64-E68 WeakPolarHBondContact O-CB 3.39Å; E64-E68 PolarHBondContact O-N 3.28Å; E64-L141 HydrophobicContact CG-CD2 4.21Å
65N97Very high96.2Very high38 Ų3834.8 Ų34.820%0.20316%0.164CC..Hα-helixtrans-64.5-42.3176-72.3-56.3000110.9K54 T59 S62 E68 L69K54-N65 PolarHBondContact NZ-OD1 3.18Å; T59-N65 HydrophobicContact CG2-CB 3.92Å; S62-N65 WeakPolarHBondContact CB-ND2 3.27Å; S62-N65 PolarHBondContact O-N 3.44Å; S62-N65 PolarHBondContact OG-N 2.71Å; S62-N65 PolarHBondContact OG-ND2 3Å; N65-E68 PolarHBondContact O-N 3.48Å; N65-L69 WeakPolarHBondContact O-CB 3.5Å; N65-L69 VanDerWaalsContact O-CG 3.23Å; N65-L69 WeakPolarHBondContact O-CG 3.34Å; N65-L69 PolarHBondContact O-N 2.92Å
66C98.3Very high96.6Very high1 Ų136.6 Ų36.61%0.00717%0.166CC..Hα-helixtrans-62.6-45.1177.2-67.60000111.7T59 C60 S62 P63 T70 F85 A138T59-C66 PolarHBondContact O-SG 3.44Å; C60-C66 VanDerWaalsContact CA-SG 3.57Å; C60-C66 PolarHBondContact O-SG 3.39Å; S62-C66 PolarHBondContact O-N 2.94Å; S62-C66 PolarHBondContact O-SG 3.31Å; P63-C66 PolarHBondContact O-N 3.43Å; C66-T70 WeakPolarHBondContact O-CB 3.46Å; C66-T70 PolarHBondContact O-N 2.98Å; C66-T70 PolarHBondContact O-OG1 2.87Å; C66-F85 HydrophobicContact CB-CD1 4.44Å; C66-A138 HydrophobicContact CB-CB 3.73Å
67C98.6Very high97Very high7 Ų736 Ų365%0.04716%0.163CC..Hα-helixtrans-59.3-50.2175.2176.70000111.1P63 E64 L69 T70 L71 L141 T142P63-C67 WeakPolarHBondContact O-CB 3.37Å; P63-C67 PolarHBondContact O-N 3.08Å; E64-C67 PolarHBondContact O-N 3.44Å; C67-L69 PolarHBondContact O-N 3.42Å; C67-T70 WeakPolarHBondContact O-CB 3.46Å; C67-T70 PolarHBondContact O-N 3.18Å; C67-L71 VanDerWaalsContact O-CG 3.26Å; C67-L71 WeakPolarHBondContact O-CG 3.26Å; C67-L71 PolarHBondContact O-N 2.95Å; C67-L141 HydrophobicContact CB-CD2 3.78Å; C67-L141 HydrophobicContact CB-CG 3.91Å; C67-T142 VanDerWaalsContact CA-OG1 3.26Å; C67-T142 WeakPolarHBondContact CA-OG1 3.29Å; C67-T142 WeakPolarHBondContact CB-OG1 3.16Å
68E98.4Very high97.3Very high58 Ų5838.8 Ų38.827%0.27118%0.182SC..Hα-helixtrans-59.1-50-179.7174.554.4-15300111.7I50 E64 N65 T70 L71 Q72 R75I50-E68 HydrophobicContact CD1-CB 4.33Å; I50-E68 HydrophobicContact CD1-CG 3.2Å; E64-E68 VanDerWaalsContact O-CB 3.28Å; E64-E68 WeakPolarHBondContact O-CB 3.39Å; E64-E68 PolarHBondContact O-N 3.28Å; N65-E68 PolarHBondContact O-N 3.48Å; E68-T70 VanDerWaalsContact C-N 3.27Å; E68-T70 PolarHBondContact O-N 3.16Å; E68-L71 PolarHBondContact O-N 2.75Å; E68-L71 VanDerWaalsContact O-N 3.08Å; E68-Q72 WeakPolarHBondContact O-CG 3.37Å; E68-Q72 PolarHBondContact O-N 3.34Å; E68-Q72 VanDerWaalsContact O-N 3.12Å; E68-R75 IonicContact OE1-CZ 3.59Å; E68-R75 IonicContact OE1-NH1 3.57Å; E68-R75 PolarHBondContact OE1-NH1 3.48Å; E68-R75 IonicContact OE1-NH2 2.68Å; E68-R75 PolarHBondContact OE1-NH2 2.79Å; E68-R75 IonicContact OE2-CZ 3.7Å; E68-R75 IonicContact OE2-NH1 2.96Å; E68-R75 PolarHBondContact OE2-NH1 2.63Å; E68-R75 IonicContact OE2-NH2 3.5Å; E68-R75 PolarHBondContact OE2-NH2 3.36Å
69L98.5Very high97.7Very high0 Ų034.4 Ų34.40%016%0.158CC..Hα-helixtrans-60-36.9176.9-67.9175.2000112.3A40 F47 I50 R51 T59 N65 C67 L71 P73 F85A40-L69 VanDerWaalsContact CB-O 3.24Å; A40-L69 WeakPolarHBondContact CB-O 3.25Å; F47-L69 HydrophobicContact CB-CD2 4.5Å; F47-L69 HydrophobicContact CD2-CD2 3.62Å; F47-L69 HydrophobicContact CD2-CG 4.48Å; F47-L69 HydrophobicContact CE2-CD1 4.22Å; F47-L69 HydrophobicContact CE2-CD2 4.03Å; F47-L69 HydrophobicContact CG-CD2 4.17Å; I50-L69 HydrophobicContact CB-CD2 3.89Å; I50-L69 HydrophobicContact CD1-CD2 4.29Å; I50-L69 HydrophobicContact CG2-CD1 4.48Å; I50-L69 HydrophobicContact CG2-CD2 3.76Å; I50-L69 HydrophobicContact CG2-CG 4.1Å; R51-L69 HydrophobicContact CG-CD1 4.43Å; T59-L69 HydrophobicContact CG2-CD1 3.67Å; N65-L69 WeakPolarHBondContact O-CB 3.5Å; N65-L69 VanDerWaalsContact O-CG 3.23Å; N65-L69 WeakPolarHBondContact O-CG 3.34Å; N65-L69 PolarHBondContact O-N 2.92Å; C67-L69 PolarHBondContact O-N 3.42Å; L69-L71 VanDerWaalsContact C-N 3.31Å; L69-L71 PolarHBondContact O-N 3.25Å; L69-P73 WeakPolarHBondContact O-CD 3.37Å; L69-F85 HydrophobicContact CB-CB 4.12Å; L69-F85 HydrophobicContact CB-CD1 4.42Å; L69-F85 HydrophobicContact CB-CD2 4.31Å; L69-F85 HydrophobicContact CB-CG 4.01Å; L69-F85 HydrophobicContact CD1-CD1 3.69Å; L69-F85 HydrophobicContact CD1-CD2 4.18Å; L69-F85 HydrophobicContact CD1-CE1 3.61Å; L69-F85 HydrophobicContact CD1-CE2 4.12Å; L69-F85 HydrophobicContact CD1-CG 3.97Å; L69-F85 HydrophobicContact CD1-CZ 3.84Å
70T98.8Very high97.9Very high0 Ų034.6 Ų34.60%016%0.159CC..Hα-helixtrans-66.7-32.7176.9-56.50000112.3C66 C67 E68 P73 S82 I83 F85 T142 L152C66-T70 WeakPolarHBondContact O-CB 3.46Å; C66-T70 PolarHBondContact O-N 2.98Å; C66-T70 PolarHBondContact O-OG1 2.87Å; C67-T70 WeakPolarHBondContact O-CB 3.46Å; C67-T70 PolarHBondContact O-N 3.18Å; E68-T70 VanDerWaalsContact C-N 3.27Å; E68-T70 PolarHBondContact O-N 3.16Å; T70-P73 WeakPolarHBondContact O-CD 3.47Å; T70-S82 VanDerWaalsContact CG2-OG 3.24Å; T70-S82 WeakPolarHBondContact CG2-OG 3.21Å; T70-S82 PolarHBondContact O-OG 3.03Å; T70-I83 VanDerWaalsContact CG2-O 3.3Å; T70-I83 WeakPolarHBondContact CG2-O 3.47Å; T70-F85 WeakPolarHBondContact OG1-CB 3.43Å; T70-F85 PolarHBondContact OG1-N 2.71Å; T70-T142 HydrophobicContact CG2-CG2 3.55Å; T70-L152 HydrophobicContact CG2-CD1 4.18Å
71L98.8Very high98.2Very high21 Ų2134.5 Ų34.511%0.1116%0.159CC..Hα-helixtrans-83.8-26.2-177.4-67.3173.5000113.5C67 E68 L69 P73 L74 R75 K145 I146C67-L71 VanDerWaalsContact O-CG 3.26Å; C67-L71 WeakPolarHBondContact O-CG 3.26Å; C67-L71 PolarHBondContact O-N 2.95Å; E68-L71 PolarHBondContact O-N 2.75Å; E68-L71 VanDerWaalsContact O-N 3.08Å; L69-L71 VanDerWaalsContact C-N 3.31Å; L69-L71 PolarHBondContact O-N 3.25Å; L71-P73 VanDerWaalsContact C-CD 3.44Å; L71-L74 HydrophobicContact CD2-CD1 4.29Å; L71-L74 PolarHBondContact O-N 3.03Å; L71-L74 VanDerWaalsContact O-N 3.11Å; L71-R75 PolarHBondContact O-N 3.28Å; L71-K145 HydrophobicContact CD1-CB 3.83Å; L71-I146 HydrophobicContact CD2-CG1 3.62Å
72Q98.7Very high98.3Very high3 Ų329.6 Ų29.61%0.01414%0.14CC..Hα-helixtrans-47.4-49.6-179.2-73.5176.5-15.500113.7L44 E46 F47 E68 L74 R75L44-Q72 HydrophobicContact CD1-CB 4.29Å; E46-Q72 VanDerWaalsContact C-NE2 3.3Å; E46-Q72 HydrophobicContact CG-CB 4.19Å; E46-Q72 VanDerWaalsContact CG-CD 3.48Å; E46-Q72 HydrophobicContact CG-CG 3.87Å; E46-Q72 PolarHBondContact O-NE2 3.47Å; F47-Q72 VanDerWaalsContact CA-OE1 3.22Å; E68-Q72 WeakPolarHBondContact O-CG 3.37Å; E68-Q72 PolarHBondContact O-N 3.34Å; E68-Q72 VanDerWaalsContact O-N 3.12Å; Q72-L74 VanDerWaalsContact C-N 3.33Å; Q72-L74 PolarHBondContact O-N 3.4Å; Q72-R75 WeakPolarHBondContact O-CB 3.47Å; Q72-R75 PolarHBondContact O-N 3.48Å
73P98.7Very high98.4Very high0 Ų029.2 Ų29.20%014%0.136CC..Hα-helixtrans-69.2-31.9-176.1-15.832.6000112.2Q39 A40 L44 L69 T70 L71 R75 R76 F77 F79Q39-P73 HydrophobicContact CB-CB 3.99Å; Q39-P73 HydrophobicContact CB-CG 4.13Å; Q39-P73 HydrophobicContact CG-CB 4.24Å; Q39-P73 HydrophobicContact CG-CG 4.13Å; Q39-P73 WeakPolarHBondContact O-CG 3.43Å; A40-P73 HydrophobicContact CB-CG 4.13Å; L44-P73 HydrophobicContact CD1-CB 4.48Å; L44-P73 HydrophobicContact CD1-CG 4.02Å; L69-P73 WeakPolarHBondContact O-CD 3.37Å; T70-P73 WeakPolarHBondContact O-CD 3.47Å; L71-P73 VanDerWaalsContact C-CD 3.44Å; P73-R75 PolarHBondContact O-N 2.92Å; P73-R76 PolarHBondContact O-N 3.48Å; P73-R76 VanDerWaalsContact O-N 3.13Å; P73-F77 HydrophobicContact CB-CD2 4.48Å; P73-F77 WeakPolarHBondContact O-CD2 3.23Å; P73-F77 PolarHBondContact O-N 3.46Å; P73-F79 HydrophobicContact CB-CD2 4.11Å; P73-F79 HydrophobicContact CB-CE2 3.8Å
74L98.6Very high98.5Very high11 Ų1128.4 Ų28.46%0.05813%0.131CC..Hα-helixtrans-70-15.9177.8-60.5-175.2000113.8L71 Q72 F79 I146 K149 V150L71-L74 HydrophobicContact CD2-CD1 4.29Å; L71-L74 PolarHBondContact O-N 3.03Å; L71-L74 VanDerWaalsContact O-N 3.11Å; Q72-L74 VanDerWaalsContact C-N 3.33Å; Q72-L74 PolarHBondContact O-N 3.4Å; L74-F79 HydrophobicContact CD2-CB 4.01Å; L74-I146 HydrophobicContact CD1-CD1 4.39Å; L74-I146 HydrophobicContact CD1-CG1 4.1Å; L74-K149 PolarHBondContact O-NZ 3.33Å; L74-V150 HydrophobicContact CD1-CG2 3.91Å; L74-V150 HydrophobicContact CD2-CG2 4Å
75R98.5Very high98.6Very high149 Ų14924.1 Ų24.156%0.56211%0.11SC*.Hα-helixtrans-82.7-26.6172.9-62.1174.9-170.2149.24.7111.9E68 L71 Q72 P73E68-R75 IonicContact OE1-CZ 3.59Å; E68-R75 IonicContact OE1-NH1 3.57Å; E68-R75 PolarHBondContact OE1-NH1 3.48Å; E68-R75 IonicContact OE1-NH2 2.68Å; E68-R75 PolarHBondContact OE1-NH2 2.79Å; E68-R75 IonicContact OE2-CZ 3.7Å; E68-R75 IonicContact OE2-NH1 2.96Å; E68-R75 PolarHBondContact OE2-NH1 2.63Å; E68-R75 IonicContact OE2-NH2 3.5Å; E68-R75 PolarHBondContact OE2-NH2 3.36Å; L71-R75 PolarHBondContact O-N 3.28Å; Q72-R75 WeakPolarHBondContact O-CB 3.47Å; Q72-R75 PolarHBondContact O-N 3.48Å; P73-R75 PolarHBondContact O-N 2.92Å
76R98.5Very high98.6Very high103 Ų10323 Ų2339%0.38911%0.105SC..Hα-helixtrans-92.4-41.6179.3-72.9-168.6176.1-115.73.3113.3E46 P73E46-R76 IonicContact OE1-CZ 3.71Å; E46-R76 IonicContact OE1-NE 3.7Å; E46-R76 PolarHBondContact OE1-NE 2.67Å; E46-R76 IonicContact OE1-NH2 3.44Å; E46-R76 PolarHBondContact OE1-NH2 3.5Å; E46-R76 IonicContact OE2-CZ 3.79Å; E46-R76 IonicContact OE2-NE 2.74Å; E46-R76 IonicContact OE2-NH2 2.77Å; E46-R76 PolarHBondContact OE2-NH2 3.37Å; P73-R76 PolarHBondContact O-N 3.48Å; P73-R76 VanDerWaalsContact O-N 3.13Å
77F98.6Very high98.5Very high11 Ų1124.4 Ų24.45%0.04811%0.113CC..SBendtrans-125.8143.5-167.9-45.5-65.6000110.7Y43 L44 P73 F79 P347 V350 V354Y43-F77 HydrophobicContact CE2-CE2 4.29Å; Y43-F77 HydrophobicContact CE2-CZ 4.46Å; Y43-F77 WeakPolarHBondContact OH-CE2 3.38Å; L44-F77 HydrophobicContact CD2-CE2 4.32Å; P73-F77 HydrophobicContact CB-CD2 4.48Å; P73-F77 WeakPolarHBondContact O-CD2 3.23Å; P73-F77 PolarHBondContact O-N 3.46Å; F77-F79 HydrophobicContact CB-CD2 3.9Å; F77-F79 HydrophobicContact CB-CE2 3.81Å; F77-F79 HydrophobicContact CB-CG 4.31Å; F77-F79 HydrophobicContact CB-CZ 4.15Å; F77-F79 HydrophobicContact CD2-CD2 4.33Å; F77-F79 AromaticContact CD2-CE2 3.54Å; F77-F79 HydrophobicContact CD2-CE2 3.54Å; F77-F79 AromaticContact CD2-CZ 3.96Å; F77-F79 HydrophobicContact CD2-CZ 3.96Å; F77-F79 HydrophobicContact CG-CE2 4.05Å; F77-F79 HydrophobicContact CG-CZ 4.28Å; F77-F79 PolarHBondContact O-N 3.03Å; F77-P347 WeakPolarHBondContact CE1-O 3.39Å; F77-P347 HydrophobicContact CZ-CB 4.1Å; F77-P347 WeakPolarHBondContact CZ-O 3.23Å; F77-V350 HydrophobicContact CD2-CG1 4.39Å; F77-V350 HydrophobicContact CE1-CB 4.39Å; F77-V350 HydrophobicContact CE2-CB 4.47Å; F77-V350 HydrophobicContact CE2-CG1 4.17Å; F77-V350 HydrophobicContact CZ-CB 4.1Å; F77-V350 HydrophobicContact CZ-CG1 4.26Å; F77-V354 HydrophobicContact CB-CG2 4.44Å
78P98.3Very high98.5Very high62 Ų6225.2 Ų25.240%0.40312%0.116SC..  trans-79.252.1175.635.1-36.1000111.3V354 H358P78-V354 HydrophobicContact CG-CG1 3.76Å; P78-H358 PolarHBondContact O-CE1 2.92Å
79F98.8Very high98.5Very high3 Ų322.5 Ų22.51%0.01310%0.104CC..  trans-57.8148.2173.9-71-54.1000111.2C36 Q39 P73 L74 F77 V150 V350 V354C36-F79 HydrophobicContact CB-CE1 4.1Å; C36-F79 HydrophobicContact CB-CZ 4.02Å; Q39-F79 HydrophobicContact CB-CD2 4.47Å; Q39-F79 HydrophobicContact CB-CE2 3.77Å; Q39-F79 HydrophobicContact CB-CZ 4.1Å; P73-F79 HydrophobicContact CB-CD2 4.11Å; P73-F79 HydrophobicContact CB-CE2 3.8Å; L74-F79 HydrophobicContact CD2-CB 4.01Å; F77-F79 HydrophobicContact CB-CD2 3.9Å; F77-F79 HydrophobicContact CB-CE2 3.81Å; F77-F79 HydrophobicContact CB-CG 4.31Å; F77-F79 HydrophobicContact CB-CZ 4.15Å; F77-F79 HydrophobicContact CD2-CD2 4.33Å; F77-F79 AromaticContact CD2-CE2 3.54Å; F77-F79 HydrophobicContact CD2-CE2 3.54Å; F77-F79 AromaticContact CD2-CZ 3.96Å; F77-F79 HydrophobicContact CD2-CZ 3.96Å; F77-F79 HydrophobicContact CG-CE2 4.05Å; F77-F79 HydrophobicContact CG-CZ 4.28Å; F77-F79 PolarHBondContact O-N 3.03Å; F79-V150 VanDerWaalsContact O-CG1 3.29Å; F79-V150 WeakPolarHBondContact O-CG1 3.31Å; F79-V350 HydrophobicContact CZ-CG1 3.95Å; F79-V354 HydrophobicContact CD1-CG2 3.65Å; F79-V354 HydrophobicContact CE1-CG2 3.24Å; F79-V354 HydrophobicContact CZ-CG2 4.02Å
80D98.9Very high98.4Very high3 Ų322.5 Ų22.52%0.01610%0.104CC..SBendtrans-92.9-2.1179.3-64.3-75.7000113.5N17 F20 H31 P33 V34 P151 H358N17-D80 PolarHBondContact ND2-OD1 3.05Å; F20-D80 HydrophobicContact CB-CB 4.46Å; F20-D80 WeakPolarHBondContact CB-O 3.47Å; H31-D80 IonicContact CD2-OD2 3.83Å; H31-D80 IonicContact CE1-OD1 2.79Å; H31-D80 IonicContact NE2-OD1 3.25Å; H31-D80 PolarHBondContact NE2-OD1 3.26Å; H31-D80 IonicContact NE2-OD2 2.75Å; H31-D80 PolarHBondContact NE2-OD2 3.28Å; P33-D80 VanDerWaalsContact CA-OD2 3.28Å; P33-D80 WeakPolarHBondContact CA-OD2 3.35Å; P33-D80 HydrophobicContact CB-CB 3.59Å; V34-D80 PolarHBondContact N-OD2 3.18Å; V34-D80 PolarHBondContact O-N 3.3Å; D80-P151 VanDerWaalsContact O-CD 3.31Å; D80-P151 WeakPolarHBondContact O-CD 3.45Å; D80-H358 IonicContact OD1-NE2 3.52Å; D80-H358 IonicContact OD2-CD2 3.38Å; D80-H358 IonicContact OD2-CE1 2.68Å; D80-H358 IonicContact OD2-NE2 3.45Å; D80-H358 PolarHBondContact OD2-NE2 2.92Å
81A98.9Very high98.4Very high0 Ų022.5 Ų22.50%010%0.104CC..  trans-151.1155.7171.600000110.6F20 W35 Q39 P151 I153F20-A81 HydrophobicContact CB-CB 4.24Å; F20-A81 HydrophobicContact CD1-CB 4.09Å; F20-A81 HydrophobicContact CD2-CB 3.87Å; F20-A81 HydrophobicContact CE1-CB 4.39Å; F20-A81 HydrophobicContact CE2-CB 4.19Å; F20-A81 HydrophobicContact CG-CB 3.8Å; F20-A81 HydrophobicContact CZ-CB 4.42Å; W35-A81 HydrophobicContact CB-CB 4.09Å; W35-A81 HydrophobicContact CG-CB 4.19Å; Q39-A81 PolarHBondContact NE2-O 3.45Å; A81-P151 HydrophobicContact CB-CG 4.18Å; A81-I153 HydrophobicContact CB-CD1 3.71Å; A81-I153 HydrophobicContact CB-CG1 4.24Å
82S98.8Very high98.4Very high0 Ų021.5 Ų21.50%010%0.098CC..EExtended strand (participates in β ladder)trans-114.8150.1167.2-1580000110.4T70 P151 L152 I153T70-S82 VanDerWaalsContact CG2-OG 3.24Å; T70-S82 WeakPolarHBondContact CG2-OG 3.21Å; T70-S82 PolarHBondContact O-OG 3.03Å; S82-P151 PolarHBondContact N-O 3.27Å; S82-L152 CarbonylContact O-C 3.18Å; S82-L152 WeakPolarHBondContact O-CA 3.42Å; S82-I153 WeakPolarHBondContact O-CB 3.37Å; S82-I153 WeakPolarHBondContact O-CG1 3.46Å; S82-I153 PolarHBondContact O-N 3Å
83I98.9Very high98.3Very high16 Ų1623.1 Ų23.18%0.08211%0.106CC..EExtended strand (participates in β ladder)trans-118.3132173.4-175.1167.8000108.6W35 Q39 T70 F85 I153 F155 F218W35-I83 HydrophobicContact CE3-CB 4.47Å; W35-I83 HydrophobicContact CE3-CG2 4.28Å; W35-I83 HydrophobicContact CH2-CD1 3.98Å; W35-I83 HydrophobicContact CZ3-CB 4.07Å; W35-I83 HydrophobicContact CZ3-CD1 3.85Å; W35-I83 HydrophobicContact CZ3-CG2 3.95Å; Q39-I83 HydrophobicContact CG-CG2 4.09Å; T70-I83 VanDerWaalsContact CG2-O 3.3Å; T70-I83 WeakPolarHBondContact CG2-O 3.47Å; I83-F85 PolarHBondContact O-N 2.86Å; I83-I153 WeakPolarHBondContact CA-O 3.46Å; I83-I153 HydrophobicContact CB-CB 4.15Å; I83-I153 HydrophobicContact CD1-CG2 4.31Å; I83-I153 HydrophobicContact CG1-CB 4.19Å; I83-I153 HydrophobicContact CG1-CG2 4.22Å; I83-F155 HydrophobicContact CD1-CB 4.35Å; I83-F155 HydrophobicContact CD1-CD1 4.08Å; I83-F155 HydrophobicContact CD1-CG 4.29Å; I83-F155 HydrophobicContact CG1-CD1 4.03Å; I83-F218 HydrophobicContact CD1-CE2 4.27Å; I83-F218 HydrophobicContact CD1-CZ 4.16Å
84I98.8Very high98.3Very high4 Ų423.4 Ų23.42%0.02111%0.108CC..  trans-57.8135.6-180-171.865.4000110.5S86 A138 I139 T142 L152 I153 F155I84-S86 PolarHBondContact O-N 3.15Å; I84-A138 HydrophobicContact CD1-CB 4.15Å; I84-I139 HydrophobicContact CB-CG1 4.17Å; I84-I139 HydrophobicContact CD1-CG1 4.14Å; I84-I139 HydrophobicContact CG1-CG1 3.76Å; I84-I139 HydrophobicContact CG2-CG1 4.28Å; I84-T142 HydrophobicContact CD1-CG2 4.32Å; I84-T142 WeakPolarHBondContact CD1-OG1 3.37Å; I84-L152 HydrophobicContact CB-CD1 4.29Å; I84-I153 PolarHBondContact N-O 3.36Å; I84-F155 HydrophobicContact CG2-CD1 3.88Å; I84-F155 HydrophobicContact CG2-CE1 3.98Å; I84-F155 VanDerWaalsContact O-CE1 3.26Å; I84-F155 WeakPolarHBondContact O-CE1 3.41Å
85F98.6Very high98.2Very high17 Ų1722.9 Ų22.98%0.07511%0.106CC..  trans-72.7116.1168.7-178.7-93.7000109.5A40 F47 F56 T59 C66 L69 T70 I83A40-F85 HydrophobicContact CB-CD2 4.36Å; F47-F85 AromaticContact CE2-CD2 3.98Å; F47-F85 HydrophobicContact CE2-CD2 3.98Å; F47-F85 AromaticContact CE2-CE2 3.55Å; F47-F85 HydrophobicContact CE2-CE2 3.55Å; F47-F85 HydrophobicContact CE2-CZ 4.34Å; F47-F85 AromaticContact CZ-CE2 3.69Å; F47-F85 HydrophobicContact CZ-CE2 3.69Å; F47-F85 HydrophobicContact CZ-CZ 4.24Å; F56-F85 HydrophobicContact CD2-CZ 4.46Å; F56-F85 HydrophobicContact CE2-CE2 4.45Å; F56-F85 AromaticContact CE2-CZ 3.78Å; F56-F85 HydrophobicContact CE2-CZ 3.78Å; F56-F85 HydrophobicContact CZ-CZ 4.41Å; T59-F85 HydrophobicContact CG2-CE1 3.93Å; C66-F85 HydrophobicContact CB-CD1 4.44Å; L69-F85 HydrophobicContact CB-CB 4.12Å; L69-F85 HydrophobicContact CB-CD1 4.42Å; L69-F85 HydrophobicContact CB-CD2 4.31Å; L69-F85 HydrophobicContact CB-CG 4.01Å; L69-F85 HydrophobicContact CD1-CD1 3.69Å; L69-F85 HydrophobicContact CD1-CD2 4.18Å; L69-F85 HydrophobicContact CD1-CE1 3.61Å; L69-F85 HydrophobicContact CD1-CE2 4.12Å; L69-F85 HydrophobicContact CD1-CG 3.97Å; L69-F85 HydrophobicContact CD1-CZ 3.84Å; T70-F85 WeakPolarHBondContact OG1-CB 3.43Å; T70-F85 PolarHBondContact OG1-N 2.71Å; I83-F85 PolarHBondContact O-N 2.86Å
86S97.4Very high98.2Very high13 Ų1317.9 Ų17.99%0.09110%0.1CC..  trans-160.7-164172.8-165.90000107.9I84I84-S86 PolarHBondContact O-N 3.15Å
87D96.9Very high98.1Very high31 Ų3113.1 Ų13.117%0.1668%0.083CC..  trans-138.6150.7174.2-165.1-86.3000111.5F56 F57 L89 V90F56-D87 HydrophobicContact CE1-CB 3.48Å; F56-D87 VanDerWaalsContact CE1-CB 3.48Å; F56-D87 WeakPolarHBondContact CE1-OD2 3.28Å; F56-D87 HydrophobicContact CZ-CB 3.77Å; F56-D87 WeakPolarHBondContact CZ-OD2 3.42Å; F57-D87 HydrophobicContact CE1-CB 4.5Å; D87-L89 PolarHBondContact O-N 3.09Å; D87-L89 VanDerWaalsContact OD1-CB 3.23Å; D87-L89 WeakPolarHBondContact OD1-CB 3.29Å; D87-L89 VanDerWaalsContact OD1-CG 3.24Å; D87-L89 WeakPolarHBondContact OD1-CG 3.31Å; D87-L89 PolarHBondContact OD1-N 2.59Å; D87-V90 WeakPolarHBondContact O-CG1 3.45Å; D87-V90 VanDerWaalsContact O-CG2 3.23Å; D87-V90 WeakPolarHBondContact O-CG2 3.34Å; D87-V90 PolarHBondContact O-N 2.88Å
88I97.7Very high98Very high24 Ų2417.9 Ų17.912%0.12311%0.105CC..THydrogen-bonded Turntrans-66.8-25.417964.9174.3000112.3V90 I91 F155 G157 T161 L162 Y165I88-V90 PolarHBondContact O-N 3.47Å; I88-I91 PolarHBondContact O-N 3.37Å; I88-F155 HydrophobicContact CG2-CD2 3.97Å; I88-F155 HydrophobicContact CG2-CE2 3.64Å; I88-G157 VanDerWaalsContact CG2-N 3.33Å; I88-T161 HydrophobicContact CD1-CG2 3.97Å; I88-L162 HydrophobicContact CB-CD2 4.02Å; I88-L162 HydrophobicContact CD1-CD2 4.2Å; I88-L162 HydrophobicContact CG1-CD2 4.08Å; I88-L162 WeakPolarHBondContact O-CD2 3.24Å; I88-Y165 HydrophobicContact CD1-CD2 4.28Å; I88-Y165 HydrophobicContact CD1-CE2 3.85Å
89L98.1Very high97.9Very high1 Ų115.3 Ų15.31%0.0059%0.088CC..THydrogen-bonded Turntrans-78.6-2.5-174.6-57179.8000113.6F57 D87 I91 P92 Q93 V99 P107 F109 L162 Y165F57-L89 HydrophobicContact CE1-CB 4.45Å; F57-L89 HydrophobicContact CZ-CB 4.26Å; D87-L89 PolarHBondContact O-N 3.09Å; D87-L89 VanDerWaalsContact OD1-CB 3.23Å; D87-L89 WeakPolarHBondContact OD1-CB 3.29Å; D87-L89 VanDerWaalsContact OD1-CG 3.24Å; D87-L89 WeakPolarHBondContact OD1-CG 3.31Å; D87-L89 PolarHBondContact OD1-N 2.59Å; L89-I91 PolarHBondContact O-N 2.86Å; L89-P92 HydrophobicContact CD2-CG 4.47Å; L89-P92 WeakPolarHBondContact O-CD 3.35Å; L89-Q93 PolarHBondContact O-N 3.16Å; L89-Q93 VanDerWaalsContact O-N 3.13Å; L89-V99 HydrophobicContact CD1-CG1 4.04Å; L89-P107 HydrophobicContact CD1-CB 3.18Å; L89-P107 HydrophobicContact CD1-CG 3.72Å; L89-F109 HydrophobicContact CD1-CE2 4.25Å; L89-F109 HydrophobicContact CD2-CE2 4.11Å; L89-F109 HydrophobicContact CD2-CZ 4.06Å; L89-L162 HydrophobicContact CD2-CD2 4.31Å; L89-Y165 HydrophobicContact CD2-CD1 4.21Å; L89-Y165 HydrophobicContact CD2-CD2 3.76Å; L89-Y165 HydrophobicContact CD2-CE2 4.38Å; L89-Y165 HydrophobicContact CD2-CG 3.67Å
90V98Very high97.6Very high0 Ų018.8 Ų18.80%010%0.104CC..Hα-helixtrans-60.9-28.3170.4-580000112D87 I88 Q93 A94 L132 Y134D87-V90 WeakPolarHBondContact O-CG1 3.45Å; D87-V90 VanDerWaalsContact O-CG2 3.23Å; D87-V90 WeakPolarHBondContact O-CG2 3.34Å; D87-V90 PolarHBondContact O-N 2.88Å; I88-V90 PolarHBondContact O-N 3.47Å; V90-Q93 PolarHBondContact O-N 2.94Å; V90-A94 WeakPolarHBondContact O-CB 3.22Å; V90-A94 PolarHBondContact O-N 2.98Å; V90-L132 HydrophobicContact CB-CD2 3.85Å; V90-L132 HydrophobicContact CG2-CD2 3.95Å; V90-Y134 WeakPolarHBondContact CB-OH 3.47Å; V90-Y134 HydrophobicContact CG1-CE2 4.5Å; V90-Y134 VanDerWaalsContact CG1-OH 3.28Å; V90-Y134 WeakPolarHBondContact CG1-OH 3.11Å
91I98.2Very high97.3Very high0 Ų021.2 Ų21.20%012%0.116CC..Hα-helixtrans-67.5-58.2176.8-65.2-54.6000111.4I88 L89 Q93 A94 M95 L132 L162 L196 V199 Y203I88-I91 PolarHBondContact O-N 3.37Å; L89-I91 PolarHBondContact O-N 2.86Å; I91-Q93 PolarHBondContact O-N 3.38Å; I91-A94 PolarHBondContact O-N 2.82Å; I91-A94 VanDerWaalsContact O-N 3.09Å; I91-M95 HydrophobicContact CG2-SD 4.24Å; I91-M95 WeakPolarHBondContact O-CG 3.42Å; I91-M95 PolarHBondContact O-N 2.94Å; I91-L132 HydrophobicContact CD1-CD1 3.6Å; I91-L162 HydrophobicContact CB-CD1 3.97Å; I91-L162 HydrophobicContact CG1-CD1 4.42Å; I91-L162 HydrophobicContact CG2-CD1 3.9Å; I91-L196 HydrophobicContact CG2-CD2 3.97Å; I91-V199 HydrophobicContact CD1-CG1 4.06Å; I91-V199 HydrophobicContact CG2-CB 4.46Å; I91-V199 HydrophobicContact CG2-CG1 4.07Å; I91-Y203 HydrophobicContact CD1-CD1 3.53Å; I91-Y203 HydrophobicContact CD1-CD2 4.32Å; I91-Y203 HydrophobicContact CD1-CE1 3.98Å; I91-Y203 HydrophobicContact CD1-CG 3.69Å; I91-Y203 HydrophobicContact CG1-CD1 4.2Å; I91-Y203 HydrophobicContact CG1-CE1 4.37Å
92P98.2Very high96.8Very high0 Ų024.1 Ų24.10%013%0.132CC..Hα-helixtrans-51.8-36.8171.5-29.732.6000114L89 M95 G96 M97 F109 L162 M166L89-P92 HydrophobicContact CD2-CG 4.47Å; L89-P92 WeakPolarHBondContact O-CD 3.35Å; P92-M95 CarbonylContact O-C 3.59Å; P92-M95 PolarHBondContact O-N 2.81Å; P92-G96 PolarHBondContact O-N 2.98Å; P92-M97 HydrophobicContact CB-SD 4.46Å; P92-M97 WeakPolarHBondContact O-CB 3.34Å; P92-M97 PolarHBondContact O-N 2.9Å; P92-F109 HydrophobicContact CB-CE1 3.61Å; P92-F109 HydrophobicContact CB-CZ 3.73Å; P92-F109 HydrophobicContact CG-CE1 4.44Å; P92-F109 HydrophobicContact CG-CZ 4.1Å; P92-L162 HydrophobicContact CG-CB 4.49Å; P92-L162 HydrophobicContact CG-CD2 4.22Å; P92-M166 HydrophobicContact CB-CE 4.47Å; P92-M166 HydrophobicContact CB-CG 3.87Å; P92-M166 HydrophobicContact CB-SD 4.2Å; P92-M166 HydrophobicContact CG-CG 3.85Å; P92-M166 HydrophobicContact CG-SD 4.02Å
93Q97.4Very high95.9Very high37 Ų3731.3 Ų31.317%0.17318%0.176CC..Hα-helixtrans-65.2-45.8176.8-173.7175.865.300112.5L89 V90 I91 M95 G96 M97L89-Q93 PolarHBondContact O-N 3.16Å; L89-Q93 VanDerWaalsContact O-N 3.13Å; V90-Q93 PolarHBondContact O-N 2.94Å; I91-Q93 PolarHBondContact O-N 3.38Å; Q93-M95 PolarHBondContact O-N 2.8Å; Q93-G96 PolarHBondContact O-N 3.46Å; Q93-M97 WeakPolarHBondContact CA-O 3.43Å
94A97.4Very high95.1Very high6 Ų634.8 Ų34.85%0.0522%0.216CC..Hα-helixtrans-64.4-25.4174.300000112.6V90 I91 G96 V126 E131 L132V90-A94 WeakPolarHBondContact O-CB 3.22Å; V90-A94 PolarHBondContact O-N 2.98Å; I91-A94 PolarHBondContact O-N 2.82Å; I91-A94 VanDerWaalsContact O-N 3.09Å; A94-G96 PolarHBondContact O-N 3.09Å; A94-V126 HydrophobicContact CB-CG1 3.89Å; A94-E131 HydrophobicContact CB-CB 3.94Å; A94-L132 HydrophobicContact CB-CD1 4.17Å; A94-L132 HydrophobicContact CB-CD2 3.95Å; A94-L132 HydrophobicContact CB-CG 3.95Å
95M98.1Very high94.3Very high0 Ų042.7 Ų42.70%025%0.25CC..THydrogen-bonded Turntrans-78.32.1171.4-65.3179.875.400113.8I91 P92 Q93 L122 Q123 V126 M166 M195 L196 V199I91-M95 HydrophobicContact CG2-SD 4.24Å; I91-M95 WeakPolarHBondContact O-CG 3.42Å; I91-M95 PolarHBondContact O-N 2.94Å; P92-M95 CarbonylContact O-C 3.59Å; P92-M95 PolarHBondContact O-N 2.81Å; Q93-M95 PolarHBondContact O-N 2.8Å; M95-L122 HydrophobicContact CE-CD1 4.45Å; M95-L122 WeakPolarHBondContact O-CA 3.29Å; M95-Q123 PolarHBondContact O-N 2.96Å; M95-V126 HydrophobicContact CB-CG2 4.48Å; M95-V126 HydrophobicContact CG-CG2 3.85Å; M95-M166 HydrophobicContact SD-CE 4.5Å; M95-M195 HydrophobicContact CE-CB 3.88Å; M95-M195 HydrophobicContact CE-CE 3.9Å; M95-L196 HydrophobicContact SD-CD2 3.6Å; M95-L196 VanDerWaalsContact SD-CD2 3.6Å; M95-L196 HydrophobicContact SD-CG 4.28Å; M95-V199 HydrophobicContact CG-CG2 4.21Å; M95-V199 HydrophobicContact SD-CG2 4.3Å
96G97.1Very high93.9Very high44 Ų4442.9 Ų42.945%0.45426%0.257SS..THydrogen-bonded Turntrans99.39.2173.800000115.4P92 Q93 A94P92-G96 PolarHBondContact O-N 2.98Å; Q93-G96 PolarHBondContact O-N 3.46Å; A94-G96 PolarHBondContact O-N 3.09Å
97M97.8Very high93.6Very high4 Ų443.5 Ų43.52%0.0226%0.26CS..  trans-87.9141.1174.5-60.3-168.579.100112.2P92 Q93 F109 L113 L122 M166P92-M97 HydrophobicContact CB-SD 4.46Å; P92-M97 WeakPolarHBondContact O-CB 3.34Å; P92-M97 PolarHBondContact O-N 2.9Å; Q93-M97 WeakPolarHBondContact CA-O 3.43Å; M97-F109 HydrophobicContact CB-CD1 3.84Å; M97-F109 HydrophobicContact CB-CE1 3.8Å; M97-F109 HydrophobicContact CE-CD1 3.59Å; M97-F109 HydrophobicContact CE-CE1 4.1Å; M97-F109 HydrophobicContact CE-CG 4.4Å; M97-F109 HydrophobicContact CG-CE1 4.44Å; M97-F109 HydrophobicContact SD-CD1 3.93Å; M97-F109 HydrophobicContact SD-CE1 3.81Å; M97-L113 HydrophobicContact CE-CD2 4.39Å; M97-L113 HydrophobicContact CE-CG 3.99Å; M97-L113 HydrophobicContact SD-CG 4.4Å; M97-L122 HydrophobicContact CG-CD2 3.63Å; M97-L122 HydrophobicContact SD-CD2 4.06Å; M97-M166 HydrophobicContact CE-CB 4.2Å; M97-M166 HydrophobicContact CG-CE 4.36Å; M97-M166 HydrophobicContact SD-CB 3.72Å; M97-M166 HydrophobicContact SD-CE 3.39Å; M97-M166 WeakPolarHBondContact SD-CE 3.31Å; M97-M166 HydrophobicContact SD-CG 3.55Å; M97-M166 VanDerWaalsContact SD-CG 3.55Å; M97-M166 HydrophobicContact SD-SD 4.31Å
98E96.6Very high93.6Very high110 Ų11043.8 Ų43.851%0.51426%0.263SS..  trans-87.6129.6173.4-173.2-168.6170.100110.6Q100 F109 T110E98-Q100 PolarHBondContact OE1-NE2 3.47Å; E98-F109 WeakPolarHBondContact O-CA 3.46Å; E98-T110 WeakPolarHBondContact CB-OG1 3.41Å; E98-T110 HydrophobicContact CG-CG2 4.3Å; E98-T110 PolarHBondContact O-N 2.85Å; E98-T110 PolarHBondContact OE2-OG1 2.92Å
99V95.4Very high93.6Very high8 Ų842.9 Ų42.95%0.04826%0.259CS..EExtended strand (participates in β ladder)trans-128.2132.7179.4-166.40000109.3F57 L89 P107 F109F57-V99 HydrophobicContact CE2-CB 3.88Å; F57-V99 HydrophobicContact CE2-CG1 3.69Å; F57-V99 HydrophobicContact CZ-CB 3.92Å; F57-V99 HydrophobicContact CZ-CG1 3.67Å; L89-V99 HydrophobicContact CD1-CG1 4.04Å; V99-P107 HydrophobicContact CG1-CB 4.31Å; V99-F109 HydrophobicContact CG1-CD2 4.46Å; V99-F109 HydrophobicContact CG1-CE2 4.27Å; V99-F109 HydrophobicContact CG1-CZ 4.48Å; V99-F109 HydrophobicContact CG2-CD1 3.64Å; V99-F109 HydrophobicContact CG2-CD2 4.43Å; V99-F109 HydrophobicContact CG2-CE1 3.3Å; V99-F109 HydrophobicContact CG2-CE2 4.11Å; V99-F109 HydrophobicContact CG2-CG 4.21Å; V99-F109 HydrophobicContact CG2-CZ 3.56Å
100Q93.4Very high93.5Very high76 Ų7646 Ų4636%0.35528%0.278SS..EExtended strand (participates in β ladder)trans-119.9143.5176.4-61.8-179.30.200109.9E98 L102 P107 T108 T110E98-Q100 PolarHBondContact OE1-NE2 3.47Å; Q100-L102 HydrophobicContact CB-CD2 4.22Å; Q100-P107 CarbonylContact O-C 3.58Å; Q100-P107 WeakPolarHBondContact O-CA 3.17Å; Q100-T108 PolarHBondContact N-O 3.36Å; Q100-T108 PolarHBondContact O-N 2.99Å; Q100-T110 HydrophobicContact CG-CG2 3.97Å; Q100-T110 VanDerWaalsContact NE2-CG2 3.35Å
101M91.3Very high93.5Very high54 Ų5449.4 Ų49.427%0.26630%0.296SS..EExtended strand (participates in β ladder)trans-95.194.4172.9-17261.76500109.6F56 P107F56-M101 HydrophobicContact CB-CB 3.58Å; F56-M101 HydrophobicContact CB-CE 4.37Å; F56-M101 HydrophobicContact CB-CG 3.72Å; F56-M101 HydrophobicContact CD1-CE 3.51Å; F56-M101 HydrophobicContact CD2-CE 4.4Å; F56-M101 HydrophobicContact CE1-CE 3.77Å; F56-M101 HydrophobicContact CG-CB 4.3Å; F56-M101 HydrophobicContact CG-CE 3.84Å; F56-M101 HydrophobicContact CG-CG 4.15Å; F56-M101 HydrophobicContact CZ-CE 4.34Å; M101-P107 HydrophobicContact CE-CB 4.06Å
102L87.9Confident93.5Very high62 Ų6250.5 Ų50.533%0.32530%0.303SS..EExtended strand (participates in β ladder)trans-83.7129.3-177-62.4-174.5000111.4Q100 G104 K105 G106 T108Q100-L102 HydrophobicContact CB-CD2 4.22Å; L102-G104 PolarHBondContact O-N 2.77Å; L102-K105 HydrophobicContact CB-CB 4.06Å; L102-K105 HydrophobicContact CD1-CD 4.31Å; L102-K105 PolarHBondContact O-N 2.76Å; L102-G106 PolarHBondContact N-O 3.41Å; L102-G106 PolarHBondContact O-N 3.27Å; L102-T108 HydrophobicContact CD1-CG2 3.93Å; L102-T108 WeakPolarHBondContact CD1-OG1 3.34Å
103T81.8Confident93.5Very high150 Ų15050.5 Ų50.592%0.9230%0.303SS*.THydrogen-bonded Turntrans-54.7125.4177.4-55.30000111K105T103-K105 PolarHBondContact O-N 2.69Å
104G80.3Confident93.5Very high90 Ų9054.7 Ų54.793%0.92832%0.32SS*.THydrogen-bonded Turntrans77.3-12.1179.500000115.8L102L102-G104 PolarHBondContact O-N 2.77Å
105K83.8Confident93.5Very high169 Ų16958.2 Ų58.274%0.73534%0.336SS*.THydrogen-bonded Turntrans-109-26.8177.2-66.2-177.1178.7-179.40113.2L102 T103L102-K105 HydrophobicContact CB-CB 4.06Å; L102-K105 HydrophobicContact CD1-CD 4.31Å; L102-K105 PolarHBondContact O-N 2.76Å; T103-K105 PolarHBondContact O-N 2.69Å
106G88.4Confident93.4Very high21 Ų2159 Ų5922%0.21634%0.341CS..EExtended strand (participates in β ladder)trans83.9-156.8-175.600000112.3L102 T108L102-G106 PolarHBondContact N-O 3.41Å; L102-G106 PolarHBondContact O-N 3.27Å; G106-T108 PolarHBondContact O-N 3.11Å; G106-T108 PolarHBondContact O-OG1 3.46Å
107P92.6Very high93.5Very high26 Ų2662.8 Ų62.817%0.16935%0.347CS..EExtended strand (participates in β ladder)trans-65.9132-176.326.8-33.5000111.2L89 V99 Q100 M101 Y165 G170L89-P107 HydrophobicContact CD1-CB 3.18Å; L89-P107 HydrophobicContact CD1-CG 3.72Å; V99-P107 HydrophobicContact CG1-CB 4.31Å; Q100-P107 CarbonylContact O-C 3.58Å; Q100-P107 WeakPolarHBondContact O-CA 3.17Å; M101-P107 HydrophobicContact CE-CB 4.06Å; P107-Y165 HydrophobicContact CG-CE1 4.08Å; P107-G170 VanDerWaalsContact O-CA 3.3Å; P107-G170 WeakPolarHBondContact O-CA 3.23Å
108T96.3Very high93.5Very high37 Ų3764.8 Ų64.823%0.22736%0.358CS..EExtended strand (participates in β ladder)trans-135.1124.3-177-55.80000109.6Q100 L102 G106 G169Q100-T108 PolarHBondContact N-O 3.36Å; Q100-T108 PolarHBondContact O-N 2.99Å; L102-T108 HydrophobicContact CD1-CG2 3.93Å; L102-T108 WeakPolarHBondContact CD1-OG1 3.34Å; G106-T108 PolarHBondContact O-N 3.11Å; G106-T108 PolarHBondContact O-OG1 3.46Å; T108-G169 CarbonylContact C-O 3.6Å; T108-G169 WeakPolarHBondContact CA-O 3.41Å
109F97.6Very high93.5Very high6 Ų660 Ų603%0.02634%0.336CS..EExtended strand (participates in β ladder)trans-83.9126.8170.7-69.2-105.1000108.8L89 P92 M97 E98 V99 D111 M166 G169L89-F109 HydrophobicContact CD1-CE2 4.25Å; L89-F109 HydrophobicContact CD2-CE2 4.11Å; L89-F109 HydrophobicContact CD2-CZ 4.06Å; P92-F109 HydrophobicContact CB-CE1 3.61Å; P92-F109 HydrophobicContact CB-CZ 3.73Å; P92-F109 HydrophobicContact CG-CE1 4.44Å; P92-F109 HydrophobicContact CG-CZ 4.1Å; M97-F109 HydrophobicContact CB-CD1 3.84Å; M97-F109 HydrophobicContact CB-CE1 3.8Å; M97-F109 HydrophobicContact CE-CD1 3.59Å; M97-F109 HydrophobicContact CE-CE1 4.1Å; M97-F109 HydrophobicContact CE-CG 4.4Å; M97-F109 HydrophobicContact CG-CE1 4.44Å; M97-F109 HydrophobicContact SD-CD1 3.93Å; M97-F109 HydrophobicContact SD-CE1 3.81Å; E98-F109 WeakPolarHBondContact O-CA 3.46Å; V99-F109 HydrophobicContact CG1-CD2 4.46Å; V99-F109 HydrophobicContact CG1-CE2 4.27Å; V99-F109 HydrophobicContact CG1-CZ 4.48Å; V99-F109 HydrophobicContact CG2-CD1 3.64Å; V99-F109 HydrophobicContact CG2-CD2 4.43Å; V99-F109 HydrophobicContact CG2-CE1 3.3Å; V99-F109 HydrophobicContact CG2-CE2 4.11Å; V99-F109 HydrophobicContact CG2-CG 4.21Å; V99-F109 HydrophobicContact CG2-CZ 3.56Å; F109-D111 VanDerWaalsContact C-N 3.3Å; F109-D111 PolarHBondContact O-N 3.04Å; F109-M166 HydrophobicContact CE1-CG 4.3Å; F109-M166 HydrophobicContact CZ-CG 4.37Å; F109-G169 PolarHBondContact N-O 3.18Å
110T96.4Very high93.5Very high66 Ų6667.9 Ų67.941%0.40537%0.372SS..SBendtrans-68.8-33.1-177.153.30000112E98 Q100E98-T110 WeakPolarHBondContact CB-OG1 3.41Å; E98-T110 HydrophobicContact CG-CG2 4.3Å; E98-T110 PolarHBondContact O-N 2.85Å; E98-T110 PolarHBondContact OE2-OG1 2.92Å; Q100-T110 HydrophobicContact CG-CG2 3.97Å; Q100-T110 VanDerWaalsContact NE2-CG2 3.35Å
111D97.1Very high93.7Very high72 Ų7268.4 Ų68.439%0.38537%0.371SS..SBendtrans-135.389.1175.4-173.636.7000110F109 K114 R121F109-D111 VanDerWaalsContact C-N 3.3Å; F109-D111 PolarHBondContact O-N 3.04Å; D111-K114 IonicContact OD1-NZ 3.54Å; D111-R121 PolarHBondContact O-NH1 3.27Å; D111-R121 PolarHBondContact O-NH2 2.86Å; D111-R121 IonicContact OD2-CZ 3.91Å; D111-R121 IonicContact OD2-NH1 3.79Å; D111-R121 PolarHBondContact OD2-NH1 3.45Å; D111-R121 IonicContact OD2-NH2 3.4Å
112P98.1Very high93.9Very high22 Ų2266.5 Ų66.514%0.14336%0.361CS..  trans-72.5161.217929.3-34.4000112.7R121 M166P112-R121 VanDerWaalsContact C-NH2 3.29Å; P112-R121 PolarHBondContact O-NH2 2.93Å; P112-M166 CarbonylContact C-O 3.58Å; P112-M166 WeakPolarHBondContact CA-O 3.46Å; P112-M166 WeakPolarHBondContact CB-O 3.48Å
113L98.5Very high94.2Very high0 Ų067.6 Ų67.60%037%0.365CS..  trans-71.8125.6173.1-57.2173.4000109.8M97 D118 L119 L122 M166 I167 W181 L192M97-L113 HydrophobicContact CE-CD2 4.39Å; M97-L113 HydrophobicContact CE-CG 3.99Å; M97-L113 HydrophobicContact SD-CG 4.4Å; L113-D118 HydrophobicContact CB-CB 4.45Å; L113-D118 HydrophobicContact CD2-CB 3.64Å; L113-L119 HydrophobicContact CD1-CD2 3.94Å; L113-L122 HydrophobicContact CD1-CD1 4.12Å; L113-L122 HydrophobicContact CD2-CD1 4.38Å; L113-L122 HydrophobicContact CD2-CD2 4.3Å; L113-L122 HydrophobicContact CD2-CG 4.37Å; L113-M166 HydrophobicContact CD1-CB 3.92Å; L113-M166 HydrophobicContact CD1-CE 4.08Å; L113-M166 HydrophobicContact CG-CB 4.41Å; L113-M166 PolarHBondContact N-O 3.13Å; L113-I167 HydrophobicContact CB-CG1 4.03Å; L113-I167 HydrophobicContact CD1-CG1 4.47Å; L113-I167 WeakPolarHBondContact O-CA 3.5Å; L113-W181 HydrophobicContact CB-CH2 4.49Å; L113-W181 HydrophobicContact CB-CZ2 4.25Å; L113-L192 HydrophobicContact CD1-CD1 4.41Å; L113-L192 HydrophobicContact CD1-CD2 3.71Å
114K97.7Very high94.1Very high125 Ų12563.4 Ų63.454%0.54335%0.345SS..  trans-110.5-45.8-176.5-63.2170.3-168.1154.70111.1D111 D118 W181D111-K114 IonicContact OD1-NZ 3.54Å; K114-D118 WeakPolarHBondContact CA-OD2 3.45Å; K114-D118 PolarHBondContact N-OD2 3.46Å; K114-W181 PolarHBondContact O-NE1 3.16Å
115E97Very high94.5Very high80 Ų8068.5 Ų68.537%0.37434%0.342SS..SBendtrans-131.8159.9-177.8-60.5-64164.400111.2E117 D118 W181 H185E115-E117 WeakPolarHBondContact CB-OE2 3.47Å; E115-E117 PolarHBondContact O-N 2.9Å; E115-E117 VanDerWaalsContact O-N 3.08Å; E115-D118 PolarHBondContact N-OD2 3.31Å; E115-D118 VanDerWaalsContact O-CB 3.3Å; E115-D118 WeakPolarHBondContact O-CB 3.38Å; E115-D118 PolarHBondContact O-N 2.94Å; E115-W181 WeakPolarHBondContact O-CH2 3.32Å; E115-W181 VanDerWaalsContact O-CZ2 3.31Å; E115-W181 WeakPolarHBondContact O-CZ2 3.45Å; E115-H185 IonicContact OE2-NE2 3.21Å
116P97.4Very high95Very high18 Ų1861.4 Ų61.412%0.11731%0.313CS..G310 helixtrans-51.4-31.6-177.9-33.640.2000116D118 L119 H185 S188P116-D118 PolarHBondContact O-N 2.97Å; P116-L119 WeakPolarHBondContact O-CB 3.38Å; P116-L119 VanDerWaalsContact O-CG 3.27Å; P116-L119 WeakPolarHBondContact O-CG 3.32Å; P116-L119 PolarHBondContact O-N 3.48Å; P116-H185 HydrophobicContact CG-CB 3.9Å; P116-S188 WeakPolarHBondContact CB-OG 3.42Å
117E97.9Very high95.4Very high123 Ų12364.6 Ų64.658%0.57533%0.325SS*.G310 helixtrans-62.8-28.3179.2-65.170.5-153.800112E115 L119 Q120E115-E117 WeakPolarHBondContact CB-OE2 3.47Å; E115-E117 PolarHBondContact O-N 2.9Å; E115-E117 VanDerWaalsContact O-N 3.08Å; E117-L119 PolarHBondContact O-N 3.26Å; E117-L119 VanDerWaalsContact O-N 3.1Å; E117-Q120 WeakPolarHBondContact O-CB 3.4Å; E117-Q120 WeakPolarHBondContact O-CG 3.02Å; E117-Q120 PolarHBondContact O-N 3.15Å; E117-Q120 VanDerWaalsContact O-N 3.09Å
118D97.8Very high95.6Very high46 Ų4663.7 Ų63.725%0.24632%0.319CS..G310 helixtrans-63.6-18.3178.8-64.9-38.3000112.3L113 K114 E115 P116 Q120 R121L113-D118 HydrophobicContact CB-CB 4.45Å; L113-D118 HydrophobicContact CD2-CB 3.64Å; K114-D118 WeakPolarHBondContact CA-OD2 3.45Å; K114-D118 PolarHBondContact N-OD2 3.46Å; E115-D118 PolarHBondContact N-OD2 3.31Å; E115-D118 VanDerWaalsContact O-CB 3.3Å; E115-D118 WeakPolarHBondContact O-CB 3.38Å; E115-D118 PolarHBondContact O-N 2.94Å; P116-D118 PolarHBondContact O-N 2.97Å; D118-Q120 PolarHBondContact O-N 2.94Å; D118-R121 VanDerWaalsContact O-CG 3.24Å; D118-R121 WeakPolarHBondContact O-CG 3.25Å; D118-R121 PolarHBondContact O-N 3.38Å
119L97.5Very high95.5Very high9 Ų966.9 Ų66.95%0.04733%0.334CS..G310 helixtrans-62.8-22.5175.8-60.5179.6000112.5L113 P116 E117 R121 L122 W181 M191 L192L113-L119 HydrophobicContact CD1-CD2 3.94Å; P116-L119 WeakPolarHBondContact O-CB 3.38Å; P116-L119 VanDerWaalsContact O-CG 3.27Å; P116-L119 WeakPolarHBondContact O-CG 3.32Å; P116-L119 PolarHBondContact O-N 3.48Å; E117-L119 PolarHBondContact O-N 3.26Å; E117-L119 VanDerWaalsContact O-N 3.1Å; L119-R121 PolarHBondContact O-N 3.47Å; L119-L122 HydrophobicContact CD2-CD1 3.82Å; L119-L122 WeakPolarHBondContact O-CB 3.16Å; L119-L122 PolarHBondContact O-N 3.5Å; L119-W181 HydrophobicContact CD1-CH2 4.41Å; L119-W181 HydrophobicContact CD1-CZ3 4.09Å; L119-W181 HydrophobicContact CD2-CH2 4.13Å; L119-W181 HydrophobicContact CD2-CZ3 4.21Å; L119-W181 HydrophobicContact CG-CH2 4.12Å; L119-W181 HydrophobicContact CG-CZ3 4.26Å; L119-M191 HydrophobicContact CB-CE 3.98Å; L119-M191 HydrophobicContact CD1-CE 3.22Å; L119-M191 HydrophobicContact CG-CE 4.23Å; L119-L192 HydrophobicContact CD1-CB 4.44Å; L119-L192 HydrophobicContact CD2-CB 3.97Å; L119-L192 HydrophobicContact CD2-CD1 3.98Å; L119-L192 HydrophobicContact CD2-CD2 4.01Å; L119-L192 HydrophobicContact CD2-CG 4.2Å
120Q95.6Very high95.5Very high173 Ų17373.5 Ų73.581%0.80836%0.363SS*.G310 helixtrans-66-22.2178.8-63.8178.415.500113.4E117 D118E117-Q120 WeakPolarHBondContact O-CB 3.4Å; E117-Q120 WeakPolarHBondContact O-CG 3.02Å; E117-Q120 PolarHBondContact O-N 3.15Å; E117-Q120 VanDerWaalsContact O-N 3.09Å; D118-Q120 PolarHBondContact O-N 2.94Å
121R96.1Very high95.5Very high88 Ų8873.5 Ų73.533%0.33236%0.359SS..G310 helixtrans-85.6-9.4177.883.1-157.5165.198.8-11.3113.4D111 P112 D118 L119D111-R121 PolarHBondContact O-NH1 3.27Å; D111-R121 PolarHBondContact O-NH2 2.86Å; D111-R121 IonicContact OD2-CZ 3.91Å; D111-R121 IonicContact OD2-NH1 3.79Å; D111-R121 PolarHBondContact OD2-NH1 3.45Å; D111-R121 IonicContact OD2-NH2 3.4Å; P112-R121 VanDerWaalsContact C-NH2 3.29Å; P112-R121 PolarHBondContact O-NH2 2.93Å; D118-R121 VanDerWaalsContact O-CG 3.24Å; D118-R121 WeakPolarHBondContact O-CG 3.25Å; D118-R121 PolarHBondContact O-N 3.38Å; L119-R121 PolarHBondContact O-N 3.47Å
122L96.8Very high95.5Very high13 Ų1370.1 Ų70.17%0.06834%0.341CS..SBendtrans-80144.9178-60.2179.6000110.8M95 M97 L113 L119 A124 M166 L192 M195M95-L122 HydrophobicContact CE-CD1 4.45Å; M95-L122 WeakPolarHBondContact O-CA 3.29Å; M97-L122 HydrophobicContact CG-CD2 3.63Å; M97-L122 HydrophobicContact SD-CD2 4.06Å; L113-L122 HydrophobicContact CD1-CD1 4.12Å; L113-L122 HydrophobicContact CD2-CD1 4.38Å; L113-L122 HydrophobicContact CD2-CD2 4.3Å; L113-L122 HydrophobicContact CD2-CG 4.37Å; L119-L122 HydrophobicContact CD2-CD1 3.82Å; L119-L122 WeakPolarHBondContact O-CB 3.16Å; L119-L122 PolarHBondContact O-N 3.5Å; L122-A124 PolarHBondContact O-N 3.33Å; L122-A124 VanDerWaalsContact O-N 3.15Å; L122-M166 HydrophobicContact CD1-CE 3.84Å; L122-M166 HydrophobicContact CD2-CE 4Å; L122-L192 HydrophobicContact CD1-CD1 3.78Å; L122-M195 HydrophobicContact CB-CE 3.79Å; L122-M195 HydrophobicContact CD1-CE 4.01Å
123Q92.8Very high95.5Very high86 Ų8671.8 Ų71.840%0.40235%0.348SS..  trans-75.6102.9169.8-60.5-173.71600109.6M95 K125 V126M95-Q123 PolarHBondContact O-N 2.96Å; Q123-K125 PolarHBondContact O-N 3.05Å; Q123-V126 HydrophobicContact CB-CG2 4.15Å
124A80.8Confident95.5Very high61 Ų6173.3 Ų73.350%0.50435%0.354SS..SBendtrans-68-22.3179.200000114L122 M195L122-A124 PolarHBondContact O-N 3.33Å; L122-A124 VanDerWaalsContact O-N 3.15Å; A124-M195 HydrophobicContact CB-CE 4.12Å
125K89.4Confident95.5Very high198 Ų19867.4 Ų67.486%0.86133%0.329SS*.SBendtrans-127.3104.6175.1-66.8-176.3179.7-178.60108.7Q123Q123-K125 PolarHBondContact O-N 3.05Å
126V93.9Very high95.6Very high19 Ų1964.4 Ų64.412%0.11531%0.314CS..  trans-96.5125.8178178.90000108.8A94 M95 Q123 V128 E131 V199A94-V126 HydrophobicContact CB-CG1 3.89Å; M95-V126 HydrophobicContact CB-CG2 4.48Å; M95-V126 HydrophobicContact CG-CG2 3.85Å; Q123-V126 HydrophobicContact CB-CG2 4.15Å; V126-V128 HydrophobicContact CG1-CG1 4.19Å; V126-V128 PolarHBondContact O-N 2.9Å; V126-V128 VanDerWaalsContact O-N 3.14Å; V126-E131 HydrophobicContact CG1-CB 4.1Å; V126-E131 HydrophobicContact CG1-CG 4.1Å; V126-V199 HydrophobicContact CB-CG1 4.19Å; V126-V199 HydrophobicContact CB-CG2 4.03Å; V126-V199 HydrophobicContact CG1-CG1 4.46Å; V126-V199 HydrophobicContact CG2-CG1 4.39Å; V126-V199 HydrophobicContact CG2-CG2 3.83Å
127D96.3Very high95.7Very high89 Ų8967.5 Ų67.548%0.47633%0.326SS..  trans-78.492.1164.5-176.9-3.3000108.9N129 K130 E131D127-N129 PolarHBondContact O-N 3.27Å; D127-N129 WeakPolarHBondContact OD1-CB 3.49Å; D127-N129 PolarHBondContact OD1-N 3.4Å; D127-N129 VanDerWaalsContact OD1-N 3.14Å; D127-K130 HydrophobicContact CB-CB 4.18Å; D127-K130 PolarHBondContact O-N 3.09Å; D127-E131 PolarHBondContact O-N 3.3Å
128V96.7Very high95.7Very high6 Ų661.7 Ų61.74%0.03630%0.299CS..Hα-helixtrans-61.5-27.2-177.1-60.50000112.4V126 K130 L132 F136 V199 E202V126-V128 HydrophobicContact CG1-CG1 4.19Å; V126-V128 PolarHBondContact O-N 2.9Å; V126-V128 VanDerWaalsContact O-N 3.14Å; V128-K130 PolarHBondContact O-N 3.42Å; V128-L132 HydrophobicContact CB-CD1 4.32Å; V128-L132 HydrophobicContact CG1-CD1 4.25Å; V128-L132 CarbonylContact O-C 3.58Å; V128-L132 WeakPolarHBondContact O-CA 3.34Å; V128-L132 WeakPolarHBondContact O-CB 3.24Å; V128-L132 PolarHBondContact O-N 2.91Å; V128-F136 HydrophobicContact CB-CZ 4.33Å; V128-F136 HydrophobicContact CG2-CE2 4.38Å; V128-F136 HydrophobicContact CG2-CZ 4.25Å; V128-F136 VanDerWaalsContact O-CE2 3.32Å; V128-F136 WeakPolarHBondContact O-CE2 3.25Å; V128-V199 HydrophobicContact CG1-CG1 4.03Å; V128-E202 HydrophobicContact CG1-CB 4.14Å; V128-E202 HydrophobicContact CG2-CB 3.74Å
129N94.7Very high95.8Very high104 Ų10459.5 Ų59.556%0.55629%0.287SS*.Hα-helixtrans-71.4-20.4177.5-59.8-62.1000112.3D127 D133D127-N129 PolarHBondContact O-N 3.27Å; D127-N129 WeakPolarHBondContact OD1-CB 3.49Å; D127-N129 PolarHBondContact OD1-N 3.4Å; D127-N129 VanDerWaalsContact OD1-N 3.14Å; N129-D133 VanDerWaalsContact O-CB 3.32Å; N129-D133 WeakPolarHBondContact O-CB 3.32Å
130K96.4Very high95.8Very high145 Ų14559.4 Ų59.463%0.6329%0.287SS*.Hα-helixtrans-94.8-53.7174.8-177.7-171168.5-149.50111.1D127 V128D127-K130 HydrophobicContact CB-CB 4.18Å; D127-K130 PolarHBondContact O-N 3.09Å; V128-K130 PolarHBondContact O-N 3.42Å
131E97.3Very high96Very high67 Ų6752.4 Ų52.431%0.31326%0.255SS..Hα-helixtrans-77.1-24.5-170.9-60-57.8143.800112.9A94 V126 D127 Y134A94-E131 HydrophobicContact CB-CB 3.94Å; V126-E131 HydrophobicContact CG1-CB 4.1Å; V126-E131 HydrophobicContact CG1-CG 4.1Å; D127-E131 PolarHBondContact O-N 3.3Å; E131-Y134 VanDerWaalsContact O-CE1 3.3Å; E131-Y134 WeakPolarHBondContact O-CE1 3.43Å
132L97.9Very high96.1Very high1 Ų148.2 Ų48.21%0.00524%0.239CC..SBendtrans-120.815.7-178.2-60.8170.8000113.2V90 I91 A94 V128 Y134 V135 F136 Y203V90-L132 HydrophobicContact CB-CD2 3.85Å; V90-L132 HydrophobicContact CG2-CD2 3.95Å; I91-L132 HydrophobicContact CD1-CD1 3.6Å; A94-L132 HydrophobicContact CB-CD1 4.17Å; A94-L132 HydrophobicContact CB-CD2 3.95Å; A94-L132 HydrophobicContact CB-CG 3.95Å; V128-L132 HydrophobicContact CB-CD1 4.32Å; V128-L132 HydrophobicContact CG1-CD1 4.25Å; V128-L132 CarbonylContact O-C 3.58Å; V128-L132 WeakPolarHBondContact O-CA 3.34Å; V128-L132 WeakPolarHBondContact O-CB 3.24Å; V128-L132 PolarHBondContact O-N 2.91Å; L132-Y134 HydrophobicContact CD2-CE1 4.21Å; L132-Y134 PolarHBondContact O-N 3.11Å; L132-Y134 VanDerWaalsContact O-N 3.13Å; L132-V135 WeakPolarHBondContact O-CB 3.34Å; L132-V135 PolarHBondContact O-N 2.94Å; L132-F136 HydrophobicContact CB-CZ 4.47Å; L132-F136 PolarHBondContact O-N 3.49Å; L132-Y203 HydrophobicContact CB-CD2 4.28Å; L132-Y203 HydrophobicContact CB-CE2 4.28Å; L132-Y203 HydrophobicContact CD1-CD2 3.5Å; L132-Y203 HydrophobicContact CD1-CE2 3.89Å; L132-Y203 HydrophobicContact CD1-CG 4.05Å; L132-Y203 HydrophobicContact CG-CD2 4.48Å
133D97.8Very high96.2Very high56 Ų5649 Ų4930%0.29924%0.242SC..Hα-helixtrans-50.8-38.3177.8-178.645.4000112.9N129 V135 F136 K137N129-D133 VanDerWaalsContact O-CB 3.32Å; N129-D133 WeakPolarHBondContact O-CB 3.32Å; D133-V135 PolarHBondContact O-N 2.95Å; D133-F136 PolarHBondContact O-N 3.08Å; D133-F136 VanDerWaalsContact O-N 3.09Å; D133-K137 WeakPolarHBondContact O-CG 3.39Å; D133-K137 PolarHBondContact O-N 2.91Å; D133-K137 WeakPolarHBondContact OD2-CD 3.41Å; D133-K137 WeakPolarHBondContact OD2-CE 3.48Å; D133-K137 IonicContact OD2-NZ 3.2Å; D133-K137 PolarHBondContact OD2-NZ 3.37Å
134Y97.9Very high96.5Very high32 Ų3246.8 Ų46.813%0.12523%0.231CC..Hα-helixtrans-60.8-32.9179.565.3-96.4000112.4C60 R61 V90 E131 L132 A138C60-Y134 WeakPolarHBondContact O-CD2 3.38Å; C60-Y134 WeakPolarHBondContact O-CE2 3.37Å; R61-Y134 HydrophobicContact CB-CD2 4.41Å; R61-Y134 HydrophobicContact CB-CG 4.38Å; R61-Y134 HydrophobicContact CG-CD1 4.12Å; R61-Y134 HydrophobicContact CG-CD2 4.12Å; R61-Y134 HydrophobicContact CG-CE1 4.13Å; R61-Y134 HydrophobicContact CG-CE2 4.11Å; R61-Y134 HydrophobicContact CG-CG 4.11Å; V90-Y134 WeakPolarHBondContact CB-OH 3.47Å; V90-Y134 HydrophobicContact CG1-CE2 4.5Å; V90-Y134 VanDerWaalsContact CG1-OH 3.28Å; V90-Y134 WeakPolarHBondContact CG1-OH 3.11Å; E131-Y134 VanDerWaalsContact O-CE1 3.3Å; E131-Y134 WeakPolarHBondContact O-CE1 3.43Å; L132-Y134 HydrophobicContact CD2-CE1 4.21Å; L132-Y134 PolarHBondContact O-N 3.11Å; L132-Y134 VanDerWaalsContact O-N 3.13Å; Y134-A138 WeakPolarHBondContact O-CB 3.41Å; Y134-A138 PolarHBondContact O-N 3.3Å
135V98.6Very high97.3Very high2 Ų249.5 Ų49.51%0.01223%0.232CC..Hα-helixtrans-70.2-44.7174.6-1770000109.9L132 D133 K137 A138 I139 Y203L132-V135 WeakPolarHBondContact O-CB 3.34Å; L132-V135 PolarHBondContact O-N 2.94Å; D133-V135 PolarHBondContact O-N 2.95Å; V135-K137 VanDerWaalsContact C-N 3.33Å; V135-K137 PolarHBondContact O-N 2.76Å; V135-A138 WeakPolarHBondContact O-CB 3.4Å; V135-A138 PolarHBondContact O-N 3.3Å; V135-A138 VanDerWaalsContact O-N 3.12Å; V135-I139 HydrophobicContact CG1-CD1 4.01Å; V135-I139 HydrophobicContact CG1-CG1 4.38Å; V135-I139 WeakPolarHBondContact O-CG1 3.38Å; V135-I139 PolarHBondContact O-N 3.06Å; V135-Y203 HydrophobicContact CB-CE2 4.21Å; V135-Y203 HydrophobicContact CG1-CE2 4.04Å; V135-Y203 WeakPolarHBondContact CG1-OH 3.27Å; V135-Y203 HydrophobicContact CG2-CE2 4.35Å
136F98.7Very high97.7Very high16 Ų1640.4 Ų40.47%0.0719%0.192CC..Hα-helixtrans-64.2-39.5179.9-56.4-30.2000111.7V128 L132 D133 I139 T140 Y203 Q207 A210V128-F136 HydrophobicContact CB-CZ 4.33Å; V128-F136 HydrophobicContact CG2-CE2 4.38Å; V128-F136 HydrophobicContact CG2-CZ 4.25Å; V128-F136 VanDerWaalsContact O-CE2 3.32Å; V128-F136 WeakPolarHBondContact O-CE2 3.25Å; L132-F136 HydrophobicContact CB-CZ 4.47Å; L132-F136 PolarHBondContact O-N 3.49Å; D133-F136 PolarHBondContact O-N 3.08Å; D133-F136 VanDerWaalsContact O-N 3.09Å; F136-I139 PolarHBondContact O-N 3.42Å; F136-T140 WeakPolarHBondContact O-CB 3.35Å; F136-T140 PolarHBondContact O-N 3.02Å; F136-T140 PolarHBondContact O-OG1 3.05Å; F136-Y203 AromaticContact CE1-CD2 3.69Å; F136-Y203 HydrophobicContact CE1-CD2 3.69Å; F136-Y203 AromaticContact CE1-CE2 3.93Å; F136-Y203 HydrophobicContact CE1-CE2 3.93Å; F136-Y203 AromaticContact CZ-CD2 3.88Å; F136-Y203 HydrophobicContact CZ-CD2 3.88Å; F136-Y203 HydrophobicContact CZ-CE2 4.45Å; F136-Q207 HydrophobicContact CD1-CG 4.29Å; F136-Q207 HydrophobicContact CE1-CG 3.96Å; F136-A210 HydrophobicContact CB-CB 3.86Å; F136-A210 HydrophobicContact CD1-CB 4.35Å; F136-A210 HydrophobicContact CG-CB 4.42Å; F136-A210 WeakPolarHBondContact O-CB 3.45Å
137K98.6Very high97.9Very high83 Ų8345.7 Ų45.736%0.36122%0.215SC..Hα-helixtrans-62.1-42.1170.9-74.3173.8171.8165.70112P63 D133 V135 T140 L141P63-K137 HydrophobicContact CB-CB 4.11Å; P63-K137 HydrophobicContact CG-CB 3.62Å; D133-K137 WeakPolarHBondContact O-CG 3.39Å; D133-K137 PolarHBondContact O-N 2.91Å; D133-K137 WeakPolarHBondContact OD2-CD 3.41Å; D133-K137 WeakPolarHBondContact OD2-CE 3.48Å; D133-K137 IonicContact OD2-NZ 3.2Å; D133-K137 PolarHBondContact OD2-NZ 3.37Å; V135-K137 VanDerWaalsContact C-N 3.33Å; V135-K137 PolarHBondContact O-N 2.76Å; K137-T140 PolarHBondContact O-N 3.34Å; K137-L141 VanDerWaalsContact O-CB 3.31Å; K137-L141 WeakPolarHBondContact O-CB 3.4Å; K137-L141 PolarHBondContact O-N 2.94Å
138A98.7Very high98Very high1 Ų141.5 Ų41.51%0.00819%0.193CC..Hα-helixtrans-61.8-46.4176.100000112P63 C66 I84 Y134 V135 T142P63-A138 HydrophobicContact CB-CB 4.34Å; C66-A138 HydrophobicContact CB-CB 3.73Å; I84-A138 HydrophobicContact CD1-CB 4.15Å; Y134-A138 WeakPolarHBondContact O-CB 3.41Å; Y134-A138 PolarHBondContact O-N 3.3Å; V135-A138 WeakPolarHBondContact O-CB 3.4Å; V135-A138 PolarHBondContact O-N 3.3Å; V135-A138 VanDerWaalsContact O-N 3.12Å; A138-T142 WeakPolarHBondContact O-CB 3.29Å; A138-T142 PolarHBondContact O-N 3.41Å; A138-T142 PolarHBondContact O-OG1 2.67Å
139I98.9Very high98.1Very high0 Ų046.2 Ų46.20%021%0.213CC..Hα-helixtrans-61.1-48.1176.3-67.4172.9000110.5I84 V135 F136 L141 T142 R143 L152 Q207 A210 A212I84-I139 HydrophobicContact CB-CG1 4.17Å; I84-I139 HydrophobicContact CD1-CG1 4.14Å; I84-I139 HydrophobicContact CG1-CG1 3.76Å; I84-I139 HydrophobicContact CG2-CG1 4.28Å; V135-I139 HydrophobicContact CG1-CD1 4.01Å; V135-I139 HydrophobicContact CG1-CG1 4.38Å; V135-I139 WeakPolarHBondContact O-CG1 3.38Å; V135-I139 PolarHBondContact O-N 3.06Å; F136-I139 PolarHBondContact O-N 3.42Å; I139-L141 PolarHBondContact O-N 2.82Å; I139-T142 PolarHBondContact O-N 2.87Å; I139-R143 VanDerWaalsContact O-CB 3.28Å; I139-R143 WeakPolarHBondContact O-CB 3.31Å; I139-R143 PolarHBondContact O-N 3.03Å; I139-L152 HydrophobicContact CG2-CD2 3.93Å; I139-Q207 HydrophobicContact CD1-CB 3.66Å; I139-Q207 HydrophobicContact CD1-CG 3.46Å; I139-Q207 VanDerWaalsContact CD1-CG 3.46Å; I139-A210 HydrophobicContact CB-CB 3.99Å; I139-A210 HydrophobicContact CG2-CB 3.88Å; I139-A210 WeakPolarHBondContact CG2-O 3.31Å; I139-A212 HydrophobicContact CG2-CB 4.34Å
140T98.8Very high98.3Very high8 Ų841.4 Ų41.45%0.04919%0.188CC..Hα-helixtrans-59-51.2-179.6-58.30000110.8I7 P9 F12 F136 K137 T142 R143 H144 A210I7-T140 HydrophobicContact CG2-CG2 4.19Å; I7-T140 WeakPolarHBondContact O-CG2 3.31Å; P9-T140 HydrophobicContact CB-CG2 4.12Å; F12-T140 HydrophobicContact CE1-CG2 4.15Å; F12-T140 HydrophobicContact CZ-CG2 4.31Å; F136-T140 WeakPolarHBondContact O-CB 3.35Å; F136-T140 PolarHBondContact O-N 3.02Å; F136-T140 PolarHBondContact O-OG1 3.05Å; K137-T140 PolarHBondContact O-N 3.34Å; T140-T142 PolarHBondContact O-N 3.15Å; T140-R143 PolarHBondContact O-N 3.13Å; T140-H144 PolarHBondContact O-CD2 2.77Å; T140-H144 VanDerWaalsContact O-CD2 3.26Å; T140-H144 PolarHBondContact O-N 2.82Å; T140-H144 VanDerWaalsContact O-N 3.15Å; T140-A210 VanDerWaalsContact CA-O 3.24Å; T140-A210 WeakPolarHBondContact CA-O 3.4Å; T140-A210 PolarHBondContact N-O 3.04Å; T140-A210 PolarHBondContact OG1-O 3.28Å; T140-A210 VanDerWaalsContact OG1-O 3.12Å
141L98.7Very high98.4Very high26 Ų2634.5 Ų34.514%0.13616%0.158CC..Hα-helixtrans-59.4-47178174.860.7000111.2I7 P63 E64 C67 K137 I139 R143 H144 K145I7-L141 HydrophobicContact CD1-CD1 3.57Å; P63-L141 HydrophobicContact CB-CD2 4.24Å; E64-L141 HydrophobicContact CG-CD2 4.21Å; C67-L141 HydrophobicContact CB-CD2 3.78Å; C67-L141 HydrophobicContact CB-CG 3.91Å; K137-L141 VanDerWaalsContact O-CB 3.31Å; K137-L141 WeakPolarHBondContact O-CB 3.4Å; K137-L141 PolarHBondContact O-N 2.94Å; I139-L141 PolarHBondContact O-N 2.82Å; L141-R143 PolarHBondContact O-N 3.34Å; L141-H144 PolarHBondContact O-N 2.96Å; L141-K145 HydrophobicContact CD1-CG 3.93Å; L141-K145 HydrophobicContact CG-CG 4.42Å; L141-K145 WeakPolarHBondContact O-CB 3.31Å; L141-K145 VanDerWaalsContact O-CG 3.3Å; L141-K145 WeakPolarHBondContact O-CG 3.25Å; L141-K145 PolarHBondContact O-N 3.15Å
142T98.8Very high98.5Very high0 Ų031.3 Ų31.30%014%0.143CC..Hα-helixtrans-63.3-43.3-179.1-56.50000111.1C67 T70 I84 A138 I139 T140 H144 K145 I146 L152C67-T142 VanDerWaalsContact CA-OG1 3.26Å; C67-T142 WeakPolarHBondContact CA-OG1 3.29Å; C67-T142 WeakPolarHBondContact CB-OG1 3.16Å; T70-T142 HydrophobicContact CG2-CG2 3.55Å; I84-T142 HydrophobicContact CD1-CG2 4.32Å; I84-T142 WeakPolarHBondContact CD1-OG1 3.37Å; A138-T142 WeakPolarHBondContact O-CB 3.29Å; A138-T142 PolarHBondContact O-N 3.41Å; A138-T142 PolarHBondContact O-OG1 2.67Å; I139-T142 PolarHBondContact O-N 2.87Å; T140-T142 PolarHBondContact O-N 3.15Å; T142-H144 VanDerWaalsContact C-N 3.3Å; T142-H144 PolarHBondContact O-N 2.83Å; T142-K145 CarbonylContact O-C 3.55Å; T142-K145 PolarHBondContact O-N 2.85Å; T142-K145 VanDerWaalsContact O-N 3.13Å; T142-I146 HydrophobicContact CG2-CD1 3.79Å; T142-I146 HydrophobicContact CG2-CG1 4.19Å; T142-I146 WeakPolarHBondContact O-CB 3.48Å; T142-I146 VanDerWaalsContact O-CG1 3.31Å; T142-I146 WeakPolarHBondContact O-CG1 3.37Å; T142-I146 PolarHBondContact O-N 2.77Å; T142-L152 HydrophobicContact CG2-CD1 4.01Å; T142-L152 HydrophobicContact CG2-CD2 3.96Å
143R98.7Very high98.6Very high30 Ų3031.2 Ų31.211%0.11314%0.142CC..Hα-helixtrans-60.9-40.2179.3179.660.4-171.3-78.5-2.6111.8F12 I139 T140 L141 L152 G211 Q213F12-R143 HydrophobicContact CB-CG 4.27Å; F12-R143 HydrophobicContact CD1-CB 3.93Å; F12-R143 HydrophobicContact CD1-CG 3.31Å; F12-R143 HydrophobicContact CD2-CG 4.38Å; F12-R143 HydrophobicContact CE1-CB 3.76Å; F12-R143 HydrophobicContact CE1-CG 3.58Å; F12-R143 HydrophobicContact CG-CG 3.75Å; F12-R143 HydrophobicContact CZ-CB 4.5Å; F12-R143 HydrophobicContact CZ-CG 4.22Å; I139-R143 VanDerWaalsContact O-CB 3.28Å; I139-R143 WeakPolarHBondContact O-CB 3.31Å; I139-R143 PolarHBondContact O-N 3.03Å; T140-R143 PolarHBondContact O-N 3.13Å; L141-R143 PolarHBondContact O-N 3.34Å; R143-L152 HydrophobicContact CB-CD2 4.14Å; R143-G211 PolarHBondContact NH1-O 3.02Å; R143-Q213 VanDerWaalsContact NE-OE1 3.1Å; R143-Q213 VanDerWaalsContact NH2-CD 3.35Å
144H98.6Very high98.6Very high39 Ų3928.6 Ų28.618%0.18113%0.128CC..Hα-helixtrans-65.8-45.7172.1-82-74.8000112I7 L8 K10 F12 T140 L141 T142 I146 E147I7-H144 HydrophobicContact CG2-CB 4.28Å; I7-H144 WeakPolarHBondContact CG2-CD2 3.42Å; I7-H144 VanDerWaalsContact CG2-NE2 3.34Å; I7-H144 WeakPolarHBondContact CG2-NE2 3.33Å; L8-H144 PolarHBondContact O-NE2 3.25Å; L8-H144 VanDerWaalsContact O-NE2 3.17Å; K10-H144 PolarHBondContact O-CE1 3.38Å; K10-H144 VanDerWaalsContact O-CE1 3.31Å; K10-H144 PolarHBondContact O-NE2 3.03Å; F12-H144 AromaticContact CD1-CD2 3.56Å; F12-H144 AromaticContact CD1-CE1 3.76Å; F12-H144 AromaticContact CD1-NE2 3.4Å; F12-H144 WeakPolarHBondContact CD1-NE2 3.29Å; F12-H144 AromaticContact CE1-CD2 3.46Å; F12-H144 VanDerWaalsContact CE1-CD2 3.46Å; F12-H144 WeakPolarHBondContact CE1-CD2 3.44Å; F12-H144 AromaticContact CE1-NE2 3.46Å; F12-H144 WeakPolarHBondContact CE1-NE2 3.47Å; T140-H144 PolarHBondContact O-CD2 2.77Å; T140-H144 VanDerWaalsContact O-CD2 3.26Å; T140-H144 PolarHBondContact O-N 2.82Å; T140-H144 VanDerWaalsContact O-N 3.15Å; L141-H144 PolarHBondContact O-N 2.96Å; T142-H144 VanDerWaalsContact C-N 3.3Å; T142-H144 PolarHBondContact O-N 2.83Å; H144-I146 VanDerWaalsContact C-N 3.34Å; H144-I146 PolarHBondContact O-N 2.96Å; H144-E147 PolarHBondContact O-N 3.3Å
145K98.5Very high98.7Very high118 Ų11827.9 Ų27.951%0.51313%0.126SC..Hα-helixtrans-73.9-17.5-177.2-68.2-69.7-174.6-1780115.2L71 L141 T142 E147L71-K145 HydrophobicContact CD1-CB 3.83Å; L141-K145 HydrophobicContact CD1-CG 3.93Å; L141-K145 HydrophobicContact CG-CG 4.42Å; L141-K145 WeakPolarHBondContact O-CB 3.31Å; L141-K145 VanDerWaalsContact O-CG 3.3Å; L141-K145 WeakPolarHBondContact O-CG 3.25Å; L141-K145 PolarHBondContact O-N 3.15Å; T142-K145 CarbonylContact O-C 3.55Å; T142-K145 PolarHBondContact O-N 2.85Å; T142-K145 VanDerWaalsContact O-N 3.13Å; K145-E147 PolarHBondContact O-N 2.87Å
146I98.3Very high98.7Very high7 Ų727.8 Ų27.84%0.03613%0.126CC..THydrogen-bonded Turntrans-71-19.5168.8-75.1171.7000111L71 L74 T142 H144 G148 K149 V150 L152L71-I146 HydrophobicContact CD2-CG1 3.62Å; L74-I146 HydrophobicContact CD1-CD1 4.39Å; L74-I146 HydrophobicContact CD1-CG1 4.1Å; T142-I146 HydrophobicContact CG2-CD1 3.79Å; T142-I146 HydrophobicContact CG2-CG1 4.19Å; T142-I146 WeakPolarHBondContact O-CB 3.48Å; T142-I146 VanDerWaalsContact O-CG1 3.31Å; T142-I146 WeakPolarHBondContact O-CG1 3.37Å; T142-I146 PolarHBondContact O-N 2.77Å; H144-I146 VanDerWaalsContact C-N 3.34Å; H144-I146 PolarHBondContact O-N 2.96Å; I146-G148 PolarHBondContact O-N 3.23Å; I146-G148 VanDerWaalsContact O-N 3.12Å; I146-K149 HydrophobicContact CG2-CB 4.16Å; I146-K149 VanDerWaalsContact O-CB 3.25Å; I146-K149 WeakPolarHBondContact O-CB 3.44Å; I146-K149 PolarHBondContact O-N 3.35Å; I146-V150 HydrophobicContact CG2-CG2 4.22Å; I146-V150 VanDerWaalsContact CG2-O 3.29Å; I146-V150 WeakPolarHBondContact CG2-O 3.37Å; I146-L152 HydrophobicContact CD1-CB 4.11Å; I146-L152 HydrophobicContact CD1-CD1 4.02Å; I146-L152 HydrophobicContact CD1-CG 4.47Å
147E98.1Very high98.7Very high129 Ų12927 Ų2760%0.60312%0.122SC*.THydrogen-bonded Turntrans54.335175.4-59.6179.915000113.1K16 H144 K145 K149K16-E147 PolarHBondContact NZ-O 3.17Å; H144-E147 PolarHBondContact O-N 3.3Å; K145-E147 PolarHBondContact O-N 2.87Å; E147-K149 PolarHBondContact O-N 3.23Å
148G98.1Very high98.7Very high1 Ų123.1 Ų23.11%0.0111%0.105CC..THydrogen-bonded Turntrans71.27.4-179.800000114.6E14 K16 I146 V150E14-G148 VanDerWaalsContact O-CA 3.32Å; E14-G148 WeakPolarHBondContact O-CA 3.35Å; K16-G148 WeakPolarHBondContact CB-O 3.35Å; K16-G148 PolarHBondContact N-O 3.37Å; I146-G148 PolarHBondContact O-N 3.23Å; I146-G148 VanDerWaalsContact O-N 3.12Å; G148-V150 VanDerWaalsContact C-N 3.32Å; G148-V150 PolarHBondContact O-N 2.92Å
149K98.6Very high98.7Very high105 Ų10523 Ų2346%0.45711%0.105SC..SBendtrans-56.7-43.6-175.7-172.9-178.8177.5-176.80112.7N17 L74 I146 E147N17-K149 VanDerWaalsContact CB-O 3.29Å; N17-K149 WeakPolarHBondContact CB-O 3.25Å; L74-K149 PolarHBondContact O-NZ 3.33Å; I146-K149 HydrophobicContact CG2-CB 4.16Å; I146-K149 VanDerWaalsContact O-CB 3.25Å; I146-K149 WeakPolarHBondContact O-CB 3.44Å; I146-K149 PolarHBondContact O-N 3.35Å; E147-K149 PolarHBondContact O-N 3.23Å
150V98.8Very high98.7Very high3 Ų323 Ų232%0.01811%0.105CC..SBendtrans-151.8160.8-179.8-72.20000110.9L15 N17 L74 F79 I146 G148L15-V150 VanDerWaalsContact CD1-C 3.47Å; N17-V150 HydrophobicContact CB-CG1 4.36Å; L74-V150 HydrophobicContact CD1-CG2 3.91Å; L74-V150 HydrophobicContact CD2-CG2 4Å; F79-V150 VanDerWaalsContact O-CG1 3.29Å; F79-V150 WeakPolarHBondContact O-CG1 3.31Å; I146-V150 HydrophobicContact CG2-CG2 4.22Å; I146-V150 VanDerWaalsContact CG2-O 3.29Å; I146-V150 WeakPolarHBondContact CG2-O 3.37Å; G148-V150 VanDerWaalsContact C-N 3.32Å; G148-V150 PolarHBondContact O-N 2.92Å
151P98.8Very high98.7Very high0 Ų022.7 Ų22.70%010%0.102CC..PPolyproline II helixtrans-63.8147.1174.325.1-35.7000112.9N17 F20 L21 D80 A81 S82 Q213N17-P151 VanDerWaalsContact O-CD 3.25Å; N17-P151 WeakPolarHBondContact O-CD 3.46Å; F20-P151 HydrophobicContact CB-CG 3.89Å; F20-P151 HydrophobicContact CD1-CB 4.26Å; F20-P151 HydrophobicContact CD1-CG 3.58Å; F20-P151 HydrophobicContact CE1-CG 4.49Å; F20-P151 HydrophobicContact CG-CG 4.08Å; L21-P151 HydrophobicContact CD1-CB 4.16Å; L21-P151 HydrophobicContact CD2-CB 4Å; L21-P151 HydrophobicContact CD2-CG 4.41Å; L21-P151 HydrophobicContact CG-CB 3.94Å; L21-P151 HydrophobicContact CG-CG 4.12Å; D80-P151 VanDerWaalsContact O-CD 3.31Å; D80-P151 WeakPolarHBondContact O-CD 3.45Å; A81-P151 HydrophobicContact CB-CG 4.18Å; S82-P151 PolarHBondContact N-O 3.27Å; P151-Q213 HydrophobicContact CB-CB 4.1Å
152L98.9Very high98.7Very high0 Ų021.4 Ų21.40%010%0.096CC..EExtended strand (participates in β ladder)trans-99.9123.2171.8-178.761.1000111.1T70 S82 I84 I139 T142 R143 I146 Q213T70-L152 HydrophobicContact CG2-CD1 4.18Å; S82-L152 CarbonylContact O-C 3.18Å; S82-L152 WeakPolarHBondContact O-CA 3.42Å; I84-L152 HydrophobicContact CB-CD1 4.29Å; I139-L152 HydrophobicContact CG2-CD2 3.93Å; T142-L152 HydrophobicContact CG2-CD1 4.01Å; T142-L152 HydrophobicContact CG2-CD2 3.96Å; R143-L152 HydrophobicContact CB-CD2 4.14Å; I146-L152 HydrophobicContact CD1-CB 4.11Å; I146-L152 HydrophobicContact CD1-CD1 4.02Å; I146-L152 HydrophobicContact CD1-CG 4.47Å; L152-Q213 PolarHBondContact O-N 2.9Å
153I98.9Very high98.7Very high0 Ų021.4 Ų21.40%010%0.096CC..EExtended strand (participates in β ladder)trans-90.6123.1177.3-56.3166.7000108.6F20 W35 A81 S82 I83 I84 A214 Q216F20-I153 HydrophobicContact CE1-CD1 4.11Å; F20-I153 HydrophobicContact CE1-CG1 3.98Å; F20-I153 HydrophobicContact CE2-CD1 4.01Å; F20-I153 HydrophobicContact CZ-CD1 3.53Å; F20-I153 HydrophobicContact CZ-CG1 3.86Å; W35-I153 HydrophobicContact CD2-CD1 3.87Å; W35-I153 HydrophobicContact CE3-CD1 4.22Å; W35-I153 HydrophobicContact CG-CD1 4.36Å; W35-I153 HydrophobicContact CH2-CD1 4.25Å; W35-I153 HydrophobicContact CZ2-CD1 3.88Å; W35-I153 HydrophobicContact CZ3-CD1 4.41Å; A81-I153 HydrophobicContact CB-CD1 3.71Å; A81-I153 HydrophobicContact CB-CG1 4.24Å; S82-I153 WeakPolarHBondContact O-CB 3.37Å; S82-I153 WeakPolarHBondContact O-CG1 3.46Å; S82-I153 PolarHBondContact O-N 3Å; I83-I153 WeakPolarHBondContact CA-O 3.46Å; I83-I153 HydrophobicContact CB-CB 4.15Å; I83-I153 HydrophobicContact CD1-CG2 4.31Å; I83-I153 HydrophobicContact CG1-CB 4.19Å; I83-I153 HydrophobicContact CG1-CG2 4.22Å; I84-I153 PolarHBondContact N-O 3.36Å; I153-A214 WeakPolarHBondContact CA-O 3.19Å; I153-A214 HydrophobicContact CG1-CB 4.3Å; I153-Q216 HydrophobicContact CG2-CB 4.24Å
154G98.9Very high98.7Very high0 Ų020 Ų200%09%0.09CC..EExtended strand (participates in β ladder)trans-87.8162.2163.400000111A214 L215 Q216G154-A214 PolarHBondContact N-O 3.16Å; G154-L215 CarbonylContact O-C 3.51Å; G154-L215 VanDerWaalsContact O-CA 3.31Å; G154-L215 WeakPolarHBondContact O-CA 3.5Å; G154-Q216 PolarHBondContact O-N 3.15Å
155F98.9Very high98.7Very high17 Ų1720 Ų208%0.0759%0.089CC..EExtended strand (participates in β ladder)trans-156167.5-179.778.2-80.1000115.4I83 I84 I88 Y203 Q207 Q216 F218I83-F155 HydrophobicContact CD1-CB 4.35Å; I83-F155 HydrophobicContact CD1-CD1 4.08Å; I83-F155 HydrophobicContact CD1-CG 4.29Å; I83-F155 HydrophobicContact CG1-CD1 4.03Å; I84-F155 HydrophobicContact CG2-CD1 3.88Å; I84-F155 HydrophobicContact CG2-CE1 3.98Å; I84-F155 VanDerWaalsContact O-CE1 3.26Å; I84-F155 WeakPolarHBondContact O-CE1 3.41Å; I88-F155 HydrophobicContact CG2-CD2 3.97Å; I88-F155 HydrophobicContact CG2-CE2 3.64Å; F155-Y203 WeakPolarHBondContact O-CE1 3.41Å; F155-Q207 PolarHBondContact O-NE2 3.17Å; F155-Q216 CarbonylContact C-O 3.24Å; F155-Q216 WeakPolarHBondContact CA-O 3.26Å; F155-Q216 HydrophobicContact CB-CB 4.35Å; F155-Q216 VanDerWaalsContact CB-O 3.29Å; F155-Q216 WeakPolarHBondContact CB-O 3.33Å; F155-F218 HydrophobicContact CB-CD2 4.05Å; F155-F218 HydrophobicContact CB-CE2 3.62Å; F155-F218 AromaticContact CD2-CD2 3.76Å; F155-F218 HydrophobicContact CD2-CD2 3.76Å; F155-F218 AromaticContact CD2-CE2 3.64Å; F155-F218 HydrophobicContact CD2-CE2 3.64Å; F155-F218 HydrophobicContact CG-CD2 4.29Å; F155-F218 AromaticContact CG-CE2 3.84Å; F155-F218 HydrophobicContact CG-CE2 3.84Å
156T98.9Very high98.7Very high1 Ų114.4 Ų14.41%0.0067%0.065CC..EExtended strand (participates in β ladder)trans-150.3161.6172.7-171.40000111I200 L204 Q216 V217 F218T156-I200 HydrophobicContact CG2-CG2 3.74Å; T156-L204 HydrophobicContact CG2-CD1 3.97Å; T156-L204 HydrophobicContact CG2-CD2 3.83Å; T156-L204 HydrophobicContact CG2-CG 4.08Å; T156-Q216 PolarHBondContact N-O 3.03Å; T156-V217 HydrophobicContact CG2-CB 4.41Å; T156-V217 HydrophobicContact CG2-CG1 4.28Å; T156-V217 HydrophobicContact CG2-CG2 3.94Å; T156-F218 PolarHBondContact O-N 3.36Å
157G98.8Very high98.7Very high0 Ų014.2 Ų14.20%06%0.064CC..EExtended strand (participates in β ladder)trans-75.1147.8160.300000110.5I88 L162 I200I88-G157 VanDerWaalsContact CG2-N 3.33Å; G157-L162 WeakPolarHBondContact O-CD1 3.15Å; G157-I200 WeakPolarHBondContact O-CD1 3.46Å
158A98.9Very high98.8Very high0 Ų09 Ų90%04%0.039CC..  trans-75.5157.7172.500000111.6W160 T161 L162 V217 F218 E219 L238A158-W160 PolarHBondContact O-N 2.88Å; A158-T161 PolarHBondContact O-N 3.26Å; A158-L162 WeakPolarHBondContact O-CG 3.34Å; A158-L162 PolarHBondContact O-N 3.27Å; A158-V217 HydrophobicContact CB-CG1 3.75Å; A158-F218 WeakPolarHBondContact CB-O 3.47Å; A158-F218 PolarHBondContact N-O 3.28Å; A158-E219 HydrophobicContact CB-CB 3.68Å; A158-E219 HydrophobicContact CB-CG 4.07Å; A158-E219 WeakPolarHBondContact CB-OE1 3.4Å; A158-E219 WeakPolarHBondContact CB-OE2 3.39Å; A158-L238 HydrophobicContact CB-CD2 3.77Å
159P98.8Very high98.7Very high0 Ų09.4 Ų9.40%04%0.044CC..Hα-helixtrans-54.3-46.2-176.5-3138.6000114.8L162 M163 L193 L196 A197 I200 I241P159-L162 PolarHBondContact O-N 2.92Å; P159-M163 WeakPolarHBondContact O-CB 3.45Å; P159-M163 PolarHBondContact O-N 3.41Å; P159-L193 HydrophobicContact CB-CB 4.48Å; P159-L193 HydrophobicContact CB-CD2 3.74Å; P159-L196 HydrophobicContact CB-CB 4.1Å; P159-L196 WeakPolarHBondContact O-CD1 3.47Å; P159-A197 HydrophobicContact CG-CB 4.22Å; P159-I200 HydrophobicContact CG-CD1 3.82Å; P159-I241 HydrophobicContact CG-CD1 3.56Å
160W98.9Very high98.6Very high0 Ų04.8 Ų4.80%03%0.026CC..Hα-helixtrans-64.8-46.8-179.8159.2-111.5000111.5A158 L162 M163 S164 A178 K179 L182 L193 E219 H221 L225A158-W160 PolarHBondContact O-N 2.88Å; W160-L162 VanDerWaalsContact C-N 3.34Å; W160-L162 PolarHBondContact O-N 3.39Å; W160-M163 HydrophobicContact CE3-SD 4.42Å; W160-M163 PolarHBondContact O-N 3.14Å; W160-S164 WeakPolarHBondContact O-CB 3.09Å; W160-S164 PolarHBondContact O-N 3.22Å; W160-A178 HydrophobicContact CH2-CB 3.81Å; W160-A178 HydrophobicContact CZ3-CB 4.1Å; W160-K179 HydrophobicContact CH2-CG 4.08Å; W160-K179 HydrophobicContact CZ2-CG 4.49Å; W160-L182 HydrophobicContact CE3-CD1 4.25Å; W160-L182 HydrophobicContact CE3-CD2 4.36Å; W160-L182 HydrophobicContact CH2-CD1 3.96Å; W160-L182 HydrophobicContact CH2-CG 4.47Å; W160-L182 HydrophobicContact CZ3-CD1 3.65Å; W160-L182 HydrophobicContact CZ3-CD2 3.92Å; W160-L182 HydrophobicContact CZ3-CG 3.93Å; W160-L193 HydrophobicContact CB-CD2 4.32Å; W160-E219 WeakPolarHBondContact CB-OE1 3.3Å; W160-H221 PolarHBondContact NE1-O 2.77Å; W160-L225 HydrophobicContact CD2-CD1 3.85Å; W160-L225 HydrophobicContact CD2-CD2 4.36Å; W160-L225 HydrophobicContact CD2-CG 4.29Å; W160-L225 HydrophobicContact CG-CD1 3.91Å; W160-L225 HydrophobicContact CH2-CD2 3.83Å; W160-L225 HydrophobicContact CZ2-CD1 4.35Å; W160-L225 HydrophobicContact CZ2-CD2 3.46Å; W160-L225 VanDerWaalsContact CZ2-CD2 3.46Å; W160-L225 HydrophobicContact CZ2-CG 3.88Å; W160-L225 HydrophobicContact CZ3-CD2 4.42Å
161T98.9Very high98.2Very high0 Ų07.5 Ų7.50%06%0.055CC..Hα-helixtrans-56.9-46.6176.7-70.40000111.8I88 A158 S164 Y165 E219 S220 H221I88-T161 HydrophobicContact CD1-CG2 3.97Å; A158-T161 PolarHBondContact O-N 3.26Å; T161-S164 PolarHBondContact O-N 2.77Å; T161-Y165 HydrophobicContact CG2-CD2 4.28Å; T161-Y165 HydrophobicContact CG2-CE2 4.16Å; T161-Y165 WeakPolarHBondContact O-CD2 3.09Å; T161-Y165 PolarHBondContact O-N 3.42Å; T161-E219 VanDerWaalsContact CB-OE1 3.26Å; T161-E219 WeakPolarHBondContact CB-OE1 3.36Å; T161-E219 PolarHBondContact N-OE1 3.31Å; T161-E219 VanDerWaalsContact OG1-C 3.29Å; T161-E219 WeakPolarHBondContact OG1-CA 3.34Å; T161-E219 PolarHBondContact OG1-OE1 3.4Å; T161-S220 PolarHBondContact OG1-N 2.83Å; T161-H221 PolarHBondContact O-ND1 3.33Å; T161-H221 PolarHBondContact OG1-N 3.17Å; T161-H221 VanDerWaalsContact OG1-N 3.09Å
162L98.9Very high98.1Very high0 Ų09 Ų90%07%0.065CC..Hα-helixtrans-67-46.8178.1-66.5-179.8000112.1I88 L89 I91 P92 G157 A158 P159 W160 S164 Y165 M166 L196 I200I88-L162 HydrophobicContact CB-CD2 4.02Å; I88-L162 HydrophobicContact CD1-CD2 4.2Å; I88-L162 HydrophobicContact CG1-CD2 4.08Å; I88-L162 WeakPolarHBondContact O-CD2 3.24Å; L89-L162 HydrophobicContact CD2-CD2 4.31Å; I91-L162 HydrophobicContact CB-CD1 3.97Å; I91-L162 HydrophobicContact CG1-CD1 4.42Å; I91-L162 HydrophobicContact CG2-CD1 3.9Å; P92-L162 HydrophobicContact CG-CB 4.49Å; P92-L162 HydrophobicContact CG-CD2 4.22Å; G157-L162 WeakPolarHBondContact O-CD1 3.15Å; A158-L162 WeakPolarHBondContact O-CG 3.34Å; A158-L162 PolarHBondContact O-N 3.27Å; P159-L162 PolarHBondContact O-N 2.92Å; W160-L162 VanDerWaalsContact C-N 3.34Å; W160-L162 PolarHBondContact O-N 3.39Å; L162-S164 PolarHBondContact O-N 3.12Å; L162-Y165 WeakPolarHBondContact O-CB 3.41Å; L162-Y165 PolarHBondContact O-N 2.93Å; L162-M166 VanDerWaalsContact O-CG 3.25Å; L162-M166 WeakPolarHBondContact O-CG 3.49Å; L162-M166 PolarHBondContact O-N 3.48Å; L162-L196 HydrophobicContact CB-CD1 4.11Å; L162-L196 HydrophobicContact CB-CD2 3.94Å; L162-L196 HydrophobicContact CD1-CD2 3.98Å; L162-I200 HydrophobicContact CD1-CD1 4.03Å; L162-I200 HydrophobicContact CD1-CG1 4.47Å
163M98.8Very high97.9Very high0 Ų015.4 Ų15.40%010%0.104CC..Hα-helixtrans-52.5-44.3174167.6175-179.300110.7P159 W160 Y165 M166 I167 W181 L182 L192 L193 L196P159-M163 WeakPolarHBondContact O-CB 3.45Å; P159-M163 PolarHBondContact O-N 3.41Å; W160-M163 HydrophobicContact CE3-SD 4.42Å; W160-M163 PolarHBondContact O-N 3.14Å; M163-Y165 PolarHBondContact O-N 2.58Å; M163-M166 PolarHBondContact O-N 3.33Å; M163-I167 HydrophobicContact CE-CD1 3.41Å; M163-I167 VanDerWaalsContact CE-CD1 3.41Å; M163-I167 HydrophobicContact CG-CD1 3.6Å; M163-I167 WeakPolarHBondContact O-CG1 3.28Å; M163-I167 PolarHBondContact O-N 3.01Å; M163-I167 HydrophobicContact SD-CD1 4.38Å; M163-W181 HydrophobicContact CE-CB 3.97Å; M163-W181 HydrophobicContact CE-CE3 4.14Å; M163-L182 HydrophobicContact CE-CD2 3.88Å; M163-L182 HydrophobicContact SD-CD2 4.37Å; M163-L192 HydrophobicContact CB-CD2 4.18Å; M163-L192 HydrophobicContact CB-CG 4.47Å; M163-L192 HydrophobicContact CE-CD2 4.48Å; M163-L192 HydrophobicContact CG-CD2 3.69Å; M163-L192 HydrophobicContact CG-CG 4.32Å; M163-L192 HydrophobicContact SD-CD2 4.26Å; M163-L193 HydrophobicContact CB-CD2 4.14Å; M163-L193 HydrophobicContact SD-CD1 4.09Å; M163-L193 HydrophobicContact SD-CD2 3.75Å; M163-L193 HydrophobicContact SD-CG 3.67Å; M163-L196 HydrophobicContact CB-CD1 3.89Å
164S98.6Very high97.8Very high0 Ų019.1 Ų19.10%013%0.127CC..Hα-helixtrans-63.4-41.2179.3-1790000112.5W160 T161 L162 I167 E168 H175W160-S164 WeakPolarHBondContact O-CB 3.09Å; W160-S164 PolarHBondContact O-N 3.22Å; T161-S164 PolarHBondContact O-N 2.77Å; L162-S164 PolarHBondContact O-N 3.12Å; S164-I167 PolarHBondContact O-N 3.41Å; S164-E168 WeakPolarHBondContact O-CB 3.35Å; S164-E168 WeakPolarHBondContact O-CG 3.31Å; S164-E168 PolarHBondContact O-N 3.41Å; S164-H175 PolarHBondContact OG-ND1 3.02Å
165Y98.6Very high97.7Very high40 Ų4019.5 Ų19.516%0.15713%0.129CC..Hα-helixtrans-62.5-44174.2-87.8-69.3000112.1I88 L89 P107 T161 L162 M163 I167 G169 G170 H221I88-Y165 HydrophobicContact CD1-CD2 4.28Å; I88-Y165 HydrophobicContact CD1-CE2 3.85Å; L89-Y165 HydrophobicContact CD2-CD1 4.21Å; L89-Y165 HydrophobicContact CD2-CD2 3.76Å; L89-Y165 HydrophobicContact CD2-CE2 4.38Å; L89-Y165 HydrophobicContact CD2-CG 3.67Å; P107-Y165 HydrophobicContact CG-CE1 4.08Å; T161-Y165 HydrophobicContact CG2-CD2 4.28Å; T161-Y165 HydrophobicContact CG2-CE2 4.16Å; T161-Y165 WeakPolarHBondContact O-CD2 3.09Å; T161-Y165 PolarHBondContact O-N 3.42Å; L162-Y165 WeakPolarHBondContact O-CB 3.41Å; L162-Y165 PolarHBondContact O-N 2.93Å; M163-Y165 PolarHBondContact O-N 2.58Å; Y165-I167 VanDerWaalsContact C-N 3.28Å; Y165-I167 PolarHBondContact O-N 3.23Å; Y165-G169 WeakPolarHBondContact O-CA 3.5Å; Y165-G169 PolarHBondContact O-N 2.92Å; Y165-G170 WeakPolarHBondContact CD1-O 3.22Å; Y165-G170 PolarHBondContact O-N 3.29Å; Y165-H221 AromaticContact CD2-CE1 3.56Å; Y165-H221 AromaticContact CE2-CE1 3.19Å; Y165-H221 WeakPolarHBondContact CE2-CE1 3.24Å; Y165-H221 AromaticContact CE2-NE2 3.73Å; Y165-H221 AromaticContact CZ-CE1 3.6Å; Y165-H221 AromaticContact CZ-NE2 3.84Å
166M98.7Very high97.7Very high0 Ų022 Ų220%015%0.148CC..Hα-helixtrans-61.7-34.7-179.2-64.6167.880.100112.4P92 M95 M97 F109 P112 L113 L122 L162 M163 L192 L196P92-M166 HydrophobicContact CB-CE 4.47Å; P92-M166 HydrophobicContact CB-CG 3.87Å; P92-M166 HydrophobicContact CB-SD 4.2Å; P92-M166 HydrophobicContact CG-CG 3.85Å; P92-M166 HydrophobicContact CG-SD 4.02Å; M95-M166 HydrophobicContact SD-CE 4.5Å; M97-M166 HydrophobicContact CE-CB 4.2Å; M97-M166 HydrophobicContact CG-CE 4.36Å; M97-M166 HydrophobicContact SD-CB 3.72Å; M97-M166 HydrophobicContact SD-CE 3.39Å; M97-M166 WeakPolarHBondContact SD-CE 3.31Å; M97-M166 HydrophobicContact SD-CG 3.55Å; M97-M166 VanDerWaalsContact SD-CG 3.55Å; M97-M166 HydrophobicContact SD-SD 4.31Å; F109-M166 HydrophobicContact CE1-CG 4.3Å; F109-M166 HydrophobicContact CZ-CG 4.37Å; P112-M166 CarbonylContact C-O 3.58Å; P112-M166 WeakPolarHBondContact CA-O 3.46Å; P112-M166 WeakPolarHBondContact CB-O 3.48Å; L113-M166 HydrophobicContact CD1-CB 3.92Å; L113-M166 HydrophobicContact CD1-CE 4.08Å; L113-M166 HydrophobicContact CG-CB 4.41Å; L113-M166 PolarHBondContact N-O 3.13Å; L122-M166 HydrophobicContact CD1-CE 3.84Å; L122-M166 HydrophobicContact CD2-CE 4Å; L162-M166 VanDerWaalsContact O-CG 3.25Å; L162-M166 WeakPolarHBondContact O-CG 3.49Å; L162-M166 PolarHBondContact O-N 3.48Å; M163-M166 PolarHBondContact O-N 3.33Å; M166-L192 HydrophobicContact CE-CD1 3.92Å; M166-L192 HydrophobicContact SD-CD1 4.27Å; M166-L196 HydrophobicContact SD-CD1 4.05Å; M166-L196 HydrophobicContact SD-CD2 3.86Å; M166-L196 HydrophobicContact SD-CG 4.36Å
167I98.6Very high97.7Very high2 Ų227.1 Ų27.11%0.0117%0.171CC..Hα-helixtrans-89.3-43-179.1-66.5165.3000112.3L113 M163 S164 Y165 G169 K177 A178 W181 L192L113-I167 HydrophobicContact CB-CG1 4.03Å; L113-I167 HydrophobicContact CD1-CG1 4.47Å; L113-I167 WeakPolarHBondContact O-CA 3.5Å; M163-I167 HydrophobicContact CE-CD1 3.41Å; M163-I167 VanDerWaalsContact CE-CD1 3.41Å; M163-I167 HydrophobicContact CG-CD1 3.6Å; M163-I167 WeakPolarHBondContact O-CG1 3.28Å; M163-I167 PolarHBondContact O-N 3.01Å; M163-I167 HydrophobicContact SD-CD1 4.38Å; S164-I167 PolarHBondContact O-N 3.41Å; Y165-I167 VanDerWaalsContact C-N 3.28Å; Y165-I167 PolarHBondContact O-N 3.23Å; I167-G169 VanDerWaalsContact C-N 3.26Å; I167-G169 PolarHBondContact O-N 3.38Å; I167-K177 HydrophobicContact CG2-CB 3.84Å; I167-A178 HydrophobicContact CB-CB 4.37Å; I167-A178 HydrophobicContact CG2-CB 4.34Å; I167-W181 HydrophobicContact CD1-CB 4.13Å; I167-W181 HydrophobicContact CD1-CD2 3.68Å; I167-W181 HydrophobicContact CD1-CE3 3.98Å; I167-W181 HydrophobicContact CD1-CG 3.77Å; I167-W181 HydrophobicContact CG1-CD2 4.36Å; I167-L192 HydrophobicContact CD1-CD2 4.3Å
168E98.4Very high97.7Very high19 Ų1927.1 Ų27.19%0.08917%0.171CC..Hα-helixtrans-67.9-33.1179.6-69.6-64.3150.200111.6S164 S172 H175 S176 K177 A178S164-E168 WeakPolarHBondContact O-CB 3.35Å; S164-E168 WeakPolarHBondContact O-CG 3.31Å; S164-E168 PolarHBondContact O-N 3.41Å; E168-S172 WeakPolarHBondContact OE2-CB 3.31Å; E168-S172 PolarHBondContact OE2-OG 2.97Å; E168-H175 WeakPolarHBondContact OE1-CA 3.36Å; E168-S176 PolarHBondContact OE1-N 3.47Å; E168-K177 PolarHBondContact O-NZ 2.77Å; E168-K177 WeakPolarHBondContact OE1-CA 3.32Å; E168-K177 VanDerWaalsContact OE1-CB 3.27Å; E168-K177 WeakPolarHBondContact OE1-CB 3.38Å; E168-K177 PolarHBondContact OE1-N 3.31Å; E168-A178 HydrophobicContact CG-CB 4.33Å; E168-A178 PolarHBondContact OE1-N 2.74Å
169G97.6Very high97.7Very high10 Ų1029.8 Ų29.810%0.10318%0.182CC..SBendtrans87.110.7-173.700000114T108 F109 Y165 I167T108-G169 CarbonylContact C-O 3.6Å; T108-G169 WeakPolarHBondContact CA-O 3.41Å; F109-G169 PolarHBondContact N-O 3.18Å; Y165-G169 WeakPolarHBondContact O-CA 3.5Å; Y165-G169 PolarHBondContact O-N 2.92Å; I167-G169 VanDerWaalsContact C-N 3.26Å; I167-G169 PolarHBondContact O-N 3.38Å
170G95.2Very high97.6Very high8 Ų835.7 Ų35.78%0.08221%0.205CC..BIsolated β-bridgetrans160.6-160.2-175.600000111.1P107 Y165P107-G170 VanDerWaalsContact O-CA 3.3Å; P107-G170 WeakPolarHBondContact O-CA 3.23Å; Y165-G170 WeakPolarHBondContact CD1-O 3.22Å; Y165-G170 PolarHBondContact O-N 3.29Å
171G92.1Very high97.6Very high61 Ų6136 Ų3663%0.62921%0.206SC*.  trans-66.5145.7171.900000112
172S95.6Very high97.6Very high31 Ų3136.2 Ų36.222%0.21721%0.207CC..  trans-139.7149.1176.7-1710000108.8E168 H175E168-S172 WeakPolarHBondContact OE2-CB 3.31Å; E168-S172 PolarHBondContact OE2-OG 2.97Å; S172-H175 PolarHBondContact O-CD2 2.96Å; S172-H175 PolarHBondContact O-NE2 3.46Å; S172-H175 PolarHBondContact OG-N 3.17Å
173T94.6Very high97.6Very high134 Ų13442.7 Ų42.782%0.82223%0.232SC*.SBendtrans-89.3-21.9174.452.70000112.3
174T96.2Very high97.6Very high79 Ų7950.1 Ų50.149%0.48526%0.26SS..SBendtrans-114.9-24.1-176.559.40000113S176T174-S176 PolarHBondContact O-N 2.94Å; T174-S176 VanDerWaalsContact O-N 3.16Å; T174-S176 PolarHBondContact OG1-N 3.15Å; T174-S176 PolarHBondContact OG1-OG 3.35Å
175H98.1Very high97.6Very high7 Ų752.3 Ų52.33%0.03227%0.27CS..  trans49.835.9-171.3-52-109.5000112.3S164 E168 S172 K177 A178 K179 H221 I224S164-H175 PolarHBondContact OG-ND1 3.02Å; E168-H175 WeakPolarHBondContact OE1-CA 3.36Å; S172-H175 PolarHBondContact O-CD2 2.96Å; S172-H175 PolarHBondContact O-NE2 3.46Å; S172-H175 PolarHBondContact OG-N 3.17Å; H175-K177 VanDerWaalsContact C-N 3.32Å; H175-K177 PolarHBondContact O-N 2.68Å; H175-A178 HydrophobicContact CB-CB 4.42Å; H175-A178 PolarHBondContact O-N 2.92Å; H175-K179 WeakPolarHBondContact O-CB 3.45Å; H175-K179 WeakPolarHBondContact O-CG 3.29Å; H175-K179 PolarHBondContact O-N 3.48Å; H175-H221 AromaticContact CE1-CD2 3.54Å; H175-H221 AromaticContact CE1-CE1 3.57Å; H175-H221 AromaticContact CE1-CG 3.48Å; H175-H221 VanDerWaalsContact CE1-CG 3.48Å; H175-H221 AromaticContact CE1-ND1 3.5Å; H175-H221 PolarHBondContact CE1-ND1 2.95Å; H175-H221 AromaticContact CE1-NE2 3.62Å; H175-H221 AromaticContact ND1-ND1 3.93Å; H175-I224 HydrophobicContact CB-CG2 3.68Å; H175-I224 VanDerWaalsContact CD2-CG1 3.43Å; H175-I224 WeakPolarHBondContact CD2-CG1 3.41Å
176S98.3Very high97.6Very high69 Ų6952.7 Ų52.748%0.48328%0.278SS..Hα-helixtrans-65.7-30.4-171.754.20000113.5E168 T174 R180E168-S176 PolarHBondContact OE1-N 3.47Å; T174-S176 PolarHBondContact O-N 2.94Å; T174-S176 VanDerWaalsContact O-N 3.16Å; T174-S176 PolarHBondContact OG1-N 3.15Å; T174-S176 PolarHBondContact OG1-OG 3.35Å; S176-R180 WeakPolarHBondContact O-CB 3.5Å; S176-R180 PolarHBondContact O-N 3.07Å
177K98.6Very high97.6Very high109 Ų10959.1 Ų59.147%0.47431%0.312SS..Hα-helixtrans-72.3-45.9175.2-55173.6-172.41660110.1I167 E168 H175 R180 W181I167-K177 HydrophobicContact CG2-CB 3.84Å; E168-K177 PolarHBondContact O-NZ 2.77Å; E168-K177 WeakPolarHBondContact OE1-CA 3.32Å; E168-K177 VanDerWaalsContact OE1-CB 3.27Å; E168-K177 WeakPolarHBondContact OE1-CB 3.38Å; E168-K177 PolarHBondContact OE1-N 3.31Å; H175-K177 VanDerWaalsContact C-N 3.32Å; H175-K177 PolarHBondContact O-N 2.68Å; K177-R180 WeakPolarHBondContact O-CB 3.25Å; K177-R180 PolarHBondContact O-N 3.47Å; K177-W181 PolarHBondContact O-N 3.46Å; K177-W181 VanDerWaalsContact O-N 3.13Å
178A98.7Very high97.6Very high0 Ų060.3 Ų60.30%032%0.32CS..Hα-helixtrans-63.4-42.6177.700000111.9W160 I167 E168 H175 W181 L182W160-A178 HydrophobicContact CH2-CB 3.81Å; W160-A178 HydrophobicContact CZ3-CB 4.1Å; I167-A178 HydrophobicContact CB-CB 4.37Å; I167-A178 HydrophobicContact CG2-CB 4.34Å; E168-A178 HydrophobicContact CG-CB 4.33Å; E168-A178 PolarHBondContact OE1-N 2.74Å; H175-A178 HydrophobicContact CB-CB 4.42Å; H175-A178 PolarHBondContact O-N 2.92Å; A178-W181 WeakPolarHBondContact O-CB 3.41Å; A178-W181 PolarHBondContact O-N 3.46Å; A178-L182 PolarHBondContact O-N 3.44Å
179K98.6Very high97.6Very high56 Ų5659.4 Ų59.424%0.24332%0.316CS..Hα-helixtrans-66.8-37.2174.4-71.8179.967.8162.70112.3W160 H175 W181 L182 Y183 I224 L225W160-K179 HydrophobicContact CH2-CG 4.08Å; W160-K179 HydrophobicContact CZ2-CG 4.49Å; H175-K179 WeakPolarHBondContact O-CB 3.45Å; H175-K179 WeakPolarHBondContact O-CG 3.29Å; H175-K179 PolarHBondContact O-N 3.48Å; K179-W181 PolarHBondContact O-N 3.03Å; K179-L182 WeakPolarHBondContact O-CB 3.43Å; K179-L182 PolarHBondContact O-N 3.46Å; K179-L182 VanDerWaalsContact O-N 3.08Å; K179-Y183 HydrophobicContact CB-CE2 4.41Å; K179-Y183 WeakPolarHBondContact O-CD2 3.46Å; K179-Y183 PolarHBondContact O-N 3.2Å; K179-I224 HydrophobicContact CD-CG2 3.78Å; K179-I224 HydrophobicContact CG-CG2 4.5Å; K179-I224 PolarHBondContact NZ-O 3.41Å; K179-L225 HydrophobicContact CG-CD2 4.4Å
180R98.6Very high97.7Very high125 Ų12561.2 Ų61.247%0.47232%0.322SS..Hα-helixtrans-58.3-36174173175.2162.1167.8-8.3111.7S176 K177 Y183 R184S176-R180 WeakPolarHBondContact O-CB 3.5Å; S176-R180 PolarHBondContact O-N 3.07Å; K177-R180 WeakPolarHBondContact O-CB 3.25Å; K177-R180 PolarHBondContact O-N 3.47Å; R180-Y183 PolarHBondContact O-N 2.89Å; R180-R184 HydrophobicContact CG-CG 4.02Å; R180-R184 WeakPolarHBondContact O-CB 3.36Å; R180-R184 WeakPolarHBondContact O-CG 3.22Å; R180-R184 PolarHBondContact O-N 3.24Å
181W98.8Very high97.8Very high7 Ų765.3 Ų65.33%0.02734%0.34CS..Hα-helixtrans-60.4-47.1172.2-90.259.6000112.3L113 K114 E115 L119 M163 I167 K177 A178 K179 Y183 R184 H185 S189L113-W181 HydrophobicContact CB-CH2 4.49Å; L113-W181 HydrophobicContact CB-CZ2 4.25Å; K114-W181 PolarHBondContact O-NE1 3.16Å; E115-W181 WeakPolarHBondContact O-CH2 3.32Å; E115-W181 VanDerWaalsContact O-CZ2 3.31Å; E115-W181 WeakPolarHBondContact O-CZ2 3.45Å; L119-W181 HydrophobicContact CD1-CH2 4.41Å; L119-W181 HydrophobicContact CD1-CZ3 4.09Å; L119-W181 HydrophobicContact CD2-CH2 4.13Å; L119-W181 HydrophobicContact CD2-CZ3 4.21Å; L119-W181 HydrophobicContact CG-CH2 4.12Å; L119-W181 HydrophobicContact CG-CZ3 4.26Å; M163-W181 HydrophobicContact CE-CB 3.97Å; M163-W181 HydrophobicContact CE-CE3 4.14Å; I167-W181 HydrophobicContact CD1-CB 4.13Å; I167-W181 HydrophobicContact CD1-CD2 3.68Å; I167-W181 HydrophobicContact CD1-CE3 3.98Å; I167-W181 HydrophobicContact CD1-CG 3.77Å; I167-W181 HydrophobicContact CG1-CD2 4.36Å; K177-W181 PolarHBondContact O-N 3.46Å; K177-W181 VanDerWaalsContact O-N 3.13Å; A178-W181 WeakPolarHBondContact O-CB 3.41Å; A178-W181 PolarHBondContact O-N 3.46Å; K179-W181 PolarHBondContact O-N 3.03Å; W181-Y183 VanDerWaalsContact C-N 3.27Å; W181-Y183 PolarHBondContact O-N 3.27Å; W181-R184 PolarHBondContact O-N 3.39Å; W181-H185 CarbonylContact O-C 3.59Å; W181-H185 VanDerWaalsContact O-CA 3.31Å; W181-H185 WeakPolarHBondContact O-CA 3.21Å; W181-H185 PolarHBondContact O-N 2.96Å; W181-S189 VanDerWaalsContact C-OG 3.23Å; W181-S189 PolarHBondContact O-OG 3.44Å; W181-S189 VanDerWaalsContact O-OG 3.13Å
182L98.6Very high98.2Very high4 Ų462.4 Ų62.42%0.02131%0.31CS..Hα-helixtrans-56.3-43.2178.6-53.6-171.8000111.8W160 M163 A178 K179 S189 L225 E229 F233W160-L182 HydrophobicContact CE3-CD1 4.25Å; W160-L182 HydrophobicContact CE3-CD2 4.36Å; W160-L182 HydrophobicContact CH2-CD1 3.96Å; W160-L182 HydrophobicContact CH2-CG 4.47Å; W160-L182 HydrophobicContact CZ3-CD1 3.65Å; W160-L182 HydrophobicContact CZ3-CD2 3.92Å; W160-L182 HydrophobicContact CZ3-CG 3.93Å; M163-L182 HydrophobicContact CE-CD2 3.88Å; M163-L182 HydrophobicContact SD-CD2 4.37Å; A178-L182 PolarHBondContact O-N 3.44Å; K179-L182 WeakPolarHBondContact O-CB 3.43Å; K179-L182 PolarHBondContact O-N 3.46Å; K179-L182 VanDerWaalsContact O-N 3.08Å; L182-S189 PolarHBondContact N-OG 3.39Å; L182-L225 HydrophobicContact CD1-CD2 3.66Å; L182-E229 HydrophobicContact CD1-CB 4.47Å; L182-F233 HydrophobicContact CB-CD2 4.13Å; L182-F233 HydrophobicContact CB-CE2 3.94Å; L182-F233 HydrophobicContact CB-CZ 4.19Å; L182-F233 HydrophobicContact CD1-CB 4.2Å; L182-F233 HydrophobicContact CD1-CD2 3.87Å; L182-F233 HydrophobicContact CD1-CE2 4.5Å; L182-F233 HydrophobicContact CD1-CG 4.08Å; L182-F233 HydrophobicContact CD2-CB 4.07Å; L182-F233 HydrophobicContact CD2-CD1 3.75Å; L182-F233 HydrophobicContact CD2-CD2 4.15Å; L182-F233 HydrophobicContact CD2-CE1 4.2Å; L182-F233 HydrophobicContact CD2-CG 3.72Å; L182-F233 HydrophobicContact CG-CD2 4.26Å; L182-F233 HydrophobicContact CG-CG 4.31Å
183Y98.5Very high98.3Very high136 Ų13660.9 Ų60.953%0.53330%0.3SS..Hα-helixtrans-80.6-35.4-177.1-68.6-65.8000114.6K179 R180 W181 E229K179-Y183 HydrophobicContact CB-CE2 4.41Å; K179-Y183 WeakPolarHBondContact O-CD2 3.46Å; K179-Y183 PolarHBondContact O-N 3.2Å; R180-Y183 PolarHBondContact O-N 2.89Å; W181-Y183 VanDerWaalsContact C-N 3.27Å; W181-Y183 PolarHBondContact O-N 3.27Å; Y183-E229 HydrophobicContact CE1-CG 4.39Å; Y183-E229 VanDerWaalsContact OH-CD 3.24Å; Y183-E229 PolarHBondContact OH-OE1 3.45Å
184R98.4Very high98.5Very high155 Ų15561.7 Ų61.759%0.58529%0.288SS*.Hα-helixtrans-95.6-26.6-174.9-62-165.781-178.43.7113.2R180 W181R180-R184 HydrophobicContact CG-CG 4.02Å; R180-R184 WeakPolarHBondContact O-CB 3.36Å; R180-R184 WeakPolarHBondContact O-CG 3.22Å; R180-R184 PolarHBondContact O-N 3.24Å; W181-R184 PolarHBondContact O-N 3.39Å
185H98.6Very high98.6Very high46 Ų4659 Ų5921%0.21327%0.27CS..  trans-13959-172-49.8-68.1000110.6E115 P116 W181 D187 S188 S189E115-H185 IonicContact OE2-NE2 3.21Å; P116-H185 HydrophobicContact CG-CB 3.9Å; W181-H185 CarbonylContact O-C 3.59Å; W181-H185 VanDerWaalsContact O-CA 3.31Å; W181-H185 WeakPolarHBondContact O-CA 3.21Å; W181-H185 PolarHBondContact O-N 2.96Å; H185-D187 VanDerWaalsContact C-N 3.34Å; H185-D187 PolarHBondContact O-N 3.29Å; H185-S188 PolarHBondContact O-N 3.36Å; H185-S189 WeakPolarHBondContact O-CB 3.16Å; H185-S189 PolarHBondContact O-N 2.91Å; H185-S189 PolarHBondContact O-OG 3.19Å
186P98.6Very high98.6Very high48 Ų4858.7 Ų58.731%0.31227%0.268SS..Hα-helixtrans-59.3-42.6-176.123.4-33.8000112.2S188 S189 H190 F233P186-S188 PolarHBondContact O-N 2.98Å; P186-S189 WeakPolarHBondContact O-CB 3.45Å; P186-S189 PolarHBondContact O-N 3.19Å; P186-H190 PolarHBondContact O-CD2 2.98Å; P186-H190 PolarHBondContact O-N 3.3Å; P186-F233 HydrophobicContact CB-CE1 4.35Å; P186-F233 HydrophobicContact CB-CZ 4.1Å
187D98.8Very high98.7Very high136 Ų13655.4 Ų55.473%0.72725%0.245SC*.Hα-helixtrans-61.3-45.2179.1-65.7-30.5000112.5H185 S189 H190 M191H185-D187 VanDerWaalsContact C-N 3.34Å; H185-D187 PolarHBondContact O-N 3.29Å; D187-S189 VanDerWaalsContact C-N 3.32Å; D187-H190 PolarHBondContact O-N 3.38Å; D187-M191 PolarHBondContact O-N 2.78Å
188S98.7Very high98.7Very high26 Ų2653 Ų5318%0.18224%0.238CC..Hα-helixtrans-68.5-33.7177.4-49.50000112P116 H185 P186 M191 L192P116-S188 WeakPolarHBondContact CB-OG 3.42Å; H185-S188 PolarHBondContact O-N 3.36Å; P186-S188 PolarHBondContact O-N 2.98Å; S188-M191 WeakPolarHBondContact O-CB 3.41Å; S188-M191 PolarHBondContact O-N 2.97Å; S188-L192 PolarHBondContact O-N 3.38Å
189S98.9Very high98.7Very high0 Ų053.3 Ų53.30%024%0.24CC..Hα-helixtrans-62.9-48.3172.3-59.60000110.6W181 L182 H185 P186 D187 M191 L192 L193W181-S189 VanDerWaalsContact C-OG 3.23Å; W181-S189 PolarHBondContact O-OG 3.44Å; W181-S189 VanDerWaalsContact O-OG 3.13Å; L182-S189 PolarHBondContact N-OG 3.39Å; H185-S189 WeakPolarHBondContact O-CB 3.16Å; H185-S189 PolarHBondContact O-N 2.91Å; H185-S189 PolarHBondContact O-OG 3.19Å; P186-S189 WeakPolarHBondContact O-CB 3.45Å; P186-S189 PolarHBondContact O-N 3.19Å; D187-S189 VanDerWaalsContact C-N 3.32Å; S189-M191 VanDerWaalsContact C-N 3.29Å; S189-M191 PolarHBondContact O-N 3.35Å; S189-L192 PolarHBondContact O-N 2.88Å; S189-L193 WeakPolarHBondContact O-CB 3.42Å; S189-L193 WeakPolarHBondContact O-CD1 3.29Å; S189-L193 WeakPolarHBondContact O-CG 3.28Å; S189-L193 PolarHBondContact O-N 2.79Å
190H98.9Very high98.7Very high48 Ų4850.7 Ų50.722%0.22223%0.228CC..Hα-helixtrans-61-37.6174.8-77.9-72.7000112.5P186 D187 R194 E232 F233 Y237P186-H190 PolarHBondContact O-CD2 2.98Å; P186-H190 PolarHBondContact O-N 3.3Å; D187-H190 PolarHBondContact O-N 3.38Å; H190-R194 VanDerWaalsContact O-CB 3.31Å; H190-R194 WeakPolarHBondContact O-CB 3.17Å; H190-R194 PolarHBondContact O-N 3.25Å; H190-E232 PolarHBondContact CE1-O 3.43Å; H190-E232 IonicContact NE2-OE1 3.93Å; H190-F233 AromaticContact CD2-CE1 3.72Å; H190-F233 AromaticContact CE1-CD1 3.93Å; H190-F233 AromaticContact CE1-CE1 3.91Å; H190-F233 AromaticContact NE2-CD1 3.91Å; H190-F233 AromaticContact NE2-CE1 3.41Å; H190-F233 WeakPolarHBondContact NE2-CE1 3.5Å; H190-Y237 WeakPolarHBondContact CA-OH 3.21Å; H190-Y237 WeakPolarHBondContact CB-OH 3.45Å; H190-Y237 AromaticContact ND1-CZ 3.79Å; H190-Y237 PolarHBondContact ND1-OH 2.84Å; H190-Y237 PolarHBondContact O-OH 3.31Å
191M98.6Very high98.7Very high94 Ų9444.8 Ų44.846%0.46321%0.206SC..Hα-helixtrans-61-49.5175.8-172.9168.571.700111.6L119 D187 S188 S189 R194 M195L119-M191 HydrophobicContact CB-CE 3.98Å; L119-M191 HydrophobicContact CD1-CE 3.22Å; L119-M191 HydrophobicContact CG-CE 4.23Å; D187-M191 PolarHBondContact O-N 2.78Å; S188-M191 WeakPolarHBondContact O-CB 3.41Å; S188-M191 PolarHBondContact O-N 2.97Å; S189-M191 VanDerWaalsContact C-N 3.29Å; S189-M191 PolarHBondContact O-N 3.35Å; M191-R194 PolarHBondContact O-N 2.95Å; M191-M195 HydrophobicContact CG-SD 4.21Å; M191-M195 VanDerWaalsContact O-CG 3.29Å; M191-M195 WeakPolarHBondContact O-CG 3.26Å; M191-M195 PolarHBondContact O-N 2.86Å
192L98.8Very high98.7Very high0 Ų047.6 Ų47.60%022%0.22CC..Hα-helixtrans-64.2-44.2178.5176.655.6000112.3L113 L119 L122 M163 M166 I167 S188 S189 R194 M195 L196L113-L192 HydrophobicContact CD1-CD1 4.41Å; L113-L192 HydrophobicContact CD1-CD2 3.71Å; L119-L192 HydrophobicContact CD1-CB 4.44Å; L119-L192 HydrophobicContact CD2-CB 3.97Å; L119-L192 HydrophobicContact CD2-CD1 3.98Å; L119-L192 HydrophobicContact CD2-CD2 4.01Å; L119-L192 HydrophobicContact CD2-CG 4.2Å; L122-L192 HydrophobicContact CD1-CD1 3.78Å; M163-L192 HydrophobicContact CB-CD2 4.18Å; M163-L192 HydrophobicContact CB-CG 4.47Å; M163-L192 HydrophobicContact CE-CD2 4.48Å; M163-L192 HydrophobicContact CG-CD2 3.69Å; M163-L192 HydrophobicContact CG-CG 4.32Å; M163-L192 HydrophobicContact SD-CD2 4.26Å; M166-L192 HydrophobicContact CE-CD1 3.92Å; M166-L192 HydrophobicContact SD-CD1 4.27Å; I167-L192 HydrophobicContact CD1-CD2 4.3Å; S188-L192 PolarHBondContact O-N 3.38Å; S189-L192 PolarHBondContact O-N 2.88Å; L192-R194 VanDerWaalsContact C-N 3.29Å; L192-R194 PolarHBondContact O-N 3.12Å; L192-M195 PolarHBondContact O-N 3.38Å; L192-L196 HydrophobicContact CD1-CD1 4.13Å; L192-L196 HydrophobicContact CD1-CG 4.3Å; L192-L196 HydrophobicContact CG-CD1 4.12Å; L192-L196 WeakPolarHBondContact O-CG 3.42Å; L192-L196 PolarHBondContact O-N 2.85Å
193L98.9Very high98.7Very high0 Ų047.5 Ų47.50%022%0.219CC..Hα-helixtrans-61.3-38.3178.1-69.3161.7000111.9P159 W160 M163 S189 L196 A197 F233 Y237P159-L193 HydrophobicContact CB-CB 4.48Å; P159-L193 HydrophobicContact CB-CD2 3.74Å; W160-L193 HydrophobicContact CB-CD2 4.32Å; M163-L193 HydrophobicContact CB-CD2 4.14Å; M163-L193 HydrophobicContact SD-CD1 4.09Å; M163-L193 HydrophobicContact SD-CD2 3.75Å; M163-L193 HydrophobicContact SD-CG 3.67Å; S189-L193 WeakPolarHBondContact O-CB 3.42Å; S189-L193 WeakPolarHBondContact O-CD1 3.29Å; S189-L193 WeakPolarHBondContact O-CG 3.28Å; S189-L193 PolarHBondContact O-N 2.79Å; L193-L196 PolarHBondContact O-N 3.2Å; L193-A197 WeakPolarHBondContact O-CB 3.28Å; L193-A197 PolarHBondContact O-N 3.44Å; L193-F233 HydrophobicContact CD1-CB 3.98Å; L193-F233 HydrophobicContact CD1-CD1 3.92Å; L193-F233 HydrophobicContact CD1-CG 4.45Å; L193-F233 VanDerWaalsContact CD1-O 3.28Å; L193-F233 WeakPolarHBondContact CD1-O 3.45Å; L193-Y237 HydrophobicContact CB-CD1 4.09Å; L193-Y237 HydrophobicContact CB-CD2 3.93Å; L193-Y237 HydrophobicContact CB-CE1 3.67Å; L193-Y237 HydrophobicContact CB-CE2 3.51Å; L193-Y237 HydrophobicContact CB-CG 4.19Å; L193-Y237 HydrophobicContact CD1-CD2 4.26Å; L193-Y237 HydrophobicContact CD1-CE2 3.58Å; L193-Y237 HydrophobicContact CG-CD2 4.48Å; L193-Y237 HydrophobicContact CG-CE2 4.07Å
194R98.7Very high98.7Very high151 Ų15141 Ų4157%0.5719%0.194SC*.Hα-helixtrans-66.6-45.3174.3-171.3177.7-61.1161.14.6112.1H190 M191 L192 L196 A197 D198 Y237H190-R194 VanDerWaalsContact O-CB 3.31Å; H190-R194 WeakPolarHBondContact O-CB 3.17Å; H190-R194 PolarHBondContact O-N 3.25Å; M191-R194 PolarHBondContact O-N 2.95Å; L192-R194 VanDerWaalsContact C-N 3.29Å; L192-R194 PolarHBondContact O-N 3.12Å; R194-L196 VanDerWaalsContact C-N 3.29Å; R194-L196 PolarHBondContact O-N 3.17Å; R194-A197 PolarHBondContact O-N 3.5Å; R194-D198 PolarHBondContact O-N 3.24Å; R194-Y237 HydrophobicContact CB-CE1 4.22Å
195M98.4Very high98.7Very high22 Ų2233.8 Ų33.811%0.10817%0.167CC..Hα-helixtrans-57.2-44.1175.6-70.6168.458.400111.3M95 L122 A124 M191 L192 D198 V199M95-M195 HydrophobicContact CE-CB 3.88Å; M95-M195 HydrophobicContact CE-CE 3.9Å; L122-M195 HydrophobicContact CB-CE 3.79Å; L122-M195 HydrophobicContact CD1-CE 4.01Å; A124-M195 HydrophobicContact CB-CE 4.12Å; M191-M195 HydrophobicContact CG-SD 4.21Å; M191-M195 VanDerWaalsContact O-CG 3.29Å; M191-M195 WeakPolarHBondContact O-CG 3.26Å; M191-M195 PolarHBondContact O-N 2.86Å; L192-M195 PolarHBondContact O-N 3.38Å; M195-D198 PolarHBondContact O-N 2.91Å; M195-V199 WeakPolarHBondContact O-CG2 3.46Å; M195-V199 PolarHBondContact O-N 3.16Å
196L98.8Very high98.7Very high0 Ų032 Ų320%016%0.161CC..Hα-helixtrans-63-46.9175.5-75.5163.4000111.8I91 M95 P159 L162 M163 M166 L192 L193 R194 D198 V199 I200I91-L196 HydrophobicContact CG2-CD2 3.97Å; M95-L196 HydrophobicContact SD-CD2 3.6Å; M95-L196 VanDerWaalsContact SD-CD2 3.6Å; M95-L196 HydrophobicContact SD-CG 4.28Å; P159-L196 HydrophobicContact CB-CB 4.1Å; P159-L196 WeakPolarHBondContact O-CD1 3.47Å; L162-L196 HydrophobicContact CB-CD1 4.11Å; L162-L196 HydrophobicContact CB-CD2 3.94Å; L162-L196 HydrophobicContact CD1-CD2 3.98Å; M163-L196 HydrophobicContact CB-CD1 3.89Å; M166-L196 HydrophobicContact SD-CD1 4.05Å; M166-L196 HydrophobicContact SD-CD2 3.86Å; M166-L196 HydrophobicContact SD-CG 4.36Å; L192-L196 HydrophobicContact CD1-CD1 4.13Å; L192-L196 HydrophobicContact CD1-CG 4.3Å; L192-L196 HydrophobicContact CG-CD1 4.12Å; L192-L196 WeakPolarHBondContact O-CG 3.42Å; L192-L196 PolarHBondContact O-N 2.85Å; L193-L196 PolarHBondContact O-N 3.2Å; R194-L196 VanDerWaalsContact C-N 3.29Å; R194-L196 PolarHBondContact O-N 3.17Å; L196-D198 VanDerWaalsContact C-N 3.3Å; L196-D198 PolarHBondContact O-N 3.02Å; L196-V199 PolarHBondContact O-N 2.9Å; L196-I200 HydrophobicContact CB-CD1 4.47Å; L196-I200 WeakPolarHBondContact O-CB 3.39Å; L196-I200 WeakPolarHBondContact O-CD1 3.41Å; L196-I200 WeakPolarHBondContact O-CG1 3.49Å; L196-I200 PolarHBondContact O-N 3.02Å
197A98.7Very high98.7Very high0 Ų029.8 Ų29.80%015%0.146CC..Hα-helixtrans-59-41178.100000112.1P159 L193 R194 I200 V201 Y237 I241P159-A197 HydrophobicContact CG-CB 4.22Å; L193-A197 WeakPolarHBondContact O-CB 3.28Å; L193-A197 PolarHBondContact O-N 3.44Å; R194-A197 PolarHBondContact O-N 3.5Å; A197-I200 PolarHBondContact O-N 2.74Å; A197-V201 VanDerWaalsContact O-CG2 3.31Å; A197-V201 WeakPolarHBondContact O-CG2 3.41Å; A197-V201 PolarHBondContact O-N 2.71Å; A197-Y237 HydrophobicContact CB-CD1 4.17Å; A197-I241 HydrophobicContact CB-CD1 4.26Å; A197-I241 HydrophobicContact CB-CG1 4.11Å
198D98.5Very high98.7Very high60 Ų6023.5 Ų23.532%0.32111%0.113SC..Hα-helixtrans-61.3-46.4177.6-71.9-25.3000112.3R194 M195 L196 E202 R244R194-D198 PolarHBondContact O-N 3.24Å; M195-D198 PolarHBondContact O-N 2.91Å; L196-D198 VanDerWaalsContact C-N 3.3Å; L196-D198 PolarHBondContact O-N 3.02Å; D198-E202 PolarHBondContact O-N 2.58Å; D198-R244 IonicContact OD1-CZ 2.81Å; D198-R244 IonicContact OD1-NH1 3.74Å; D198-R244 PolarHBondContact OD1-NH1 2.85Å; D198-R244 IonicContact OD1-NH2 2.77Å; D198-R244 PolarHBondContact OD1-NH2 3.49Å
199V98.6Very high98.7Very high6 Ų624.4 Ų24.44%0.03612%0.122CC..Hα-helixtrans-67-41.1177.1-179.80000111.1I91 M95 V126 V128 M195 L196 V201 E202 Y203I91-V199 HydrophobicContact CD1-CG1 4.06Å; I91-V199 HydrophobicContact CG2-CB 4.46Å; I91-V199 HydrophobicContact CG2-CG1 4.07Å; M95-V199 HydrophobicContact CG-CG2 4.21Å; M95-V199 HydrophobicContact SD-CG2 4.3Å; V126-V199 HydrophobicContact CB-CG1 4.19Å; V126-V199 HydrophobicContact CB-CG2 4.03Å; V126-V199 HydrophobicContact CG1-CG1 4.46Å; V126-V199 HydrophobicContact CG2-CG1 4.39Å; V126-V199 HydrophobicContact CG2-CG2 3.83Å; V128-V199 HydrophobicContact CG1-CG1 4.03Å; M195-V199 WeakPolarHBondContact O-CG2 3.46Å; M195-V199 PolarHBondContact O-N 3.16Å; L196-V199 PolarHBondContact O-N 2.9Å; V199-V201 VanDerWaalsContact C-N 3.34Å; V199-V201 PolarHBondContact O-N 2.89Å; V199-E202 PolarHBondContact O-N 2.86Å; V199-Y203 VanDerWaalsContact O-CB 3.3Å; V199-Y203 WeakPolarHBondContact O-CB 3.48Å; V199-Y203 PolarHBondContact O-N 3.35Å
200I98.8Very high98.7Very high0 Ų024.7 Ų24.70%012%0.124CC..Hα-helixtrans-60.5-42.7179.2-74.4163.1000111.4T156 G157 P159 L162 L196 A197 Y203 L204 I241T156-I200 HydrophobicContact CG2-CG2 3.74Å; G157-I200 WeakPolarHBondContact O-CD1 3.46Å; P159-I200 HydrophobicContact CG-CD1 3.82Å; L162-I200 HydrophobicContact CD1-CD1 4.03Å; L162-I200 HydrophobicContact CD1-CG1 4.47Å; L196-I200 HydrophobicContact CB-CD1 4.47Å; L196-I200 WeakPolarHBondContact O-CB 3.39Å; L196-I200 WeakPolarHBondContact O-CD1 3.41Å; L196-I200 WeakPolarHBondContact O-CG1 3.49Å; L196-I200 PolarHBondContact O-N 3.02Å; A197-I200 PolarHBondContact O-N 2.74Å; I200-Y203 PolarHBondContact O-N 3.31Å; I200-L204 HydrophobicContact CG2-CD1 3.62Å; I200-L204 HydrophobicContact CG2-CG 4.06Å; I200-L204 WeakPolarHBondContact O-CB 3.45Å; I200-L204 WeakPolarHBondContact O-CG 3.4Å; I200-L204 PolarHBondContact O-N 3.33Å; I200-I241 HydrophobicContact CB-CD1 4.22Å; I200-I241 HydrophobicContact CD1-CD1 4.02Å; I200-I241 HydrophobicContact CG2-CD1 3.76Å; I200-I241 HydrophobicContact CG2-CG1 4.03Å; I200-I241 HydrophobicContact CG2-CG2 3.88Å
201V98.8Very high98.7Very high1 Ų122.5 Ų22.51%0.00612%0.115CC..Hα-helixtrans-60.1-50.6179.8167.30000110.9A197 V199 Y203 L204 V205 I241 R244 V245A197-V201 VanDerWaalsContact O-CG2 3.31Å; A197-V201 WeakPolarHBondContact O-CG2 3.41Å; A197-V201 PolarHBondContact O-N 2.71Å; V199-V201 VanDerWaalsContact C-N 3.34Å; V199-V201 PolarHBondContact O-N 2.89Å; V201-Y203 VanDerWaalsContact C-N 3.33Å; V201-Y203 PolarHBondContact O-N 3.34Å; V201-L204 PolarHBondContact O-N 2.81Å; V201-V205 VanDerWaalsContact O-CG2 3.31Å; V201-V205 WeakPolarHBondContact O-CG2 3.42Å; V201-V205 PolarHBondContact O-N 2.99Å; V201-I241 HydrophobicContact CG2-CB 4.49Å; V201-I241 HydrophobicContact CG2-CG1 4.22Å; V201-R244 HydrophobicContact CG1-CB 3.89Å; V201-R244 HydrophobicContact CG2-CB 3.86Å; V201-V245 HydrophobicContact CB-CG2 4.39Å; V201-V245 HydrophobicContact CG1-CG2 4.26Å; V201-V245 HydrophobicContact CG2-CG2 4.25Å
202E98.4Very high98.7Very high67 Ų6718.2 Ų18.231%0.3139%0.094SC..Hα-helixtrans-64.1-40.2178.4-62.1-54.6139.700111.5V128 D198 V199 V205 G206 R248V128-E202 HydrophobicContact CG1-CB 4.14Å; V128-E202 HydrophobicContact CG2-CB 3.74Å; D198-E202 PolarHBondContact O-N 2.58Å; V199-E202 PolarHBondContact O-N 2.86Å; E202-V205 PolarHBondContact O-N 2.94Å; E202-G206 PolarHBondContact O-N 3.23Å; E202-R248 IonicContact OE1-CZ 3.98Å; E202-R248 IonicContact OE1-NH1 2.94Å; E202-R248 PolarHBondContact OE1-NH1 3.39Å; E202-R248 IonicContact OE1-NH2 3.54Å; E202-R248 IonicContact OE2-CZ 3.25Å; E202-R248 IonicContact OE2-NH1 2.82Å; E202-R248 IonicContact OE2-NH2 2.72Å; E202-R248 PolarHBondContact OE2-NH2 2.77Å
203Y98.8Very high98.7Very high2 Ų219.3 Ų19.31%0.00810%0.099CC..Hα-helixtrans-61.8-47.9178174.8-125.2000112.3I91 L132 V135 F136 F155 V199 I200 V201 G206 Q207I91-Y203 HydrophobicContact CD1-CD1 3.53Å; I91-Y203 HydrophobicContact CD1-CD2 4.32Å; I91-Y203 HydrophobicContact CD1-CE1 3.98Å; I91-Y203 HydrophobicContact CD1-CG 3.69Å; I91-Y203 HydrophobicContact CG1-CD1 4.2Å; I91-Y203 HydrophobicContact CG1-CE1 4.37Å; L132-Y203 HydrophobicContact CB-CD2 4.28Å; L132-Y203 HydrophobicContact CB-CE2 4.28Å; L132-Y203 HydrophobicContact CD1-CD2 3.5Å; L132-Y203 HydrophobicContact CD1-CE2 3.89Å; L132-Y203 HydrophobicContact CD1-CG 4.05Å; L132-Y203 HydrophobicContact CG-CD2 4.48Å; V135-Y203 HydrophobicContact CB-CE2 4.21Å; V135-Y203 HydrophobicContact CG1-CE2 4.04Å; V135-Y203 WeakPolarHBondContact CG1-OH 3.27Å; V135-Y203 HydrophobicContact CG2-CE2 4.35Å; F136-Y203 AromaticContact CE1-CD2 3.69Å; F136-Y203 HydrophobicContact CE1-CD2 3.69Å; F136-Y203 AromaticContact CE1-CE2 3.93Å; F136-Y203 HydrophobicContact CE1-CE2 3.93Å; F136-Y203 AromaticContact CZ-CD2 3.88Å; F136-Y203 HydrophobicContact CZ-CD2 3.88Å; F136-Y203 HydrophobicContact CZ-CE2 4.45Å; F155-Y203 WeakPolarHBondContact O-CE1 3.41Å; V199-Y203 VanDerWaalsContact O-CB 3.3Å; V199-Y203 WeakPolarHBondContact O-CB 3.48Å; V199-Y203 PolarHBondContact O-N 3.35Å; I200-Y203 PolarHBondContact O-N 3.31Å; V201-Y203 VanDerWaalsContact C-N 3.33Å; V201-Y203 PolarHBondContact O-N 3.34Å; Y203-G206 PolarHBondContact O-N 3.36Å; Y203-Q207 VanDerWaalsContact CD1-NE2 3.34Å; Y203-Q207 HydrophobicContact CD2-CG 4.35Å; Y203-Q207 HydrophobicContact CE2-CG 4.07Å; Y203-Q207 WeakPolarHBondContact O-CG 3.13Å; Y203-Q207 PolarHBondContact O-N 3.02Å
204L98.9Very high98.7Very high0 Ų019.3 Ų19.30%010%0.099CC..Hα-helixtrans-64.7-41.3178.9-73.5176000112.2T156 I200 V201 G206 Q207 V208 L215 V217 I241 V245 M258T156-L204 HydrophobicContact CG2-CD1 3.97Å; T156-L204 HydrophobicContact CG2-CD2 3.83Å; T156-L204 HydrophobicContact CG2-CG 4.08Å; I200-L204 HydrophobicContact CG2-CD1 3.62Å; I200-L204 HydrophobicContact CG2-CG 4.06Å; I200-L204 WeakPolarHBondContact O-CB 3.45Å; I200-L204 WeakPolarHBondContact O-CG 3.4Å; I200-L204 PolarHBondContact O-N 3.33Å; V201-L204 PolarHBondContact O-N 2.81Å; L204-G206 VanDerWaalsContact C-N 3.29Å; L204-G206 PolarHBondContact O-N 3.18Å; L204-Q207 PolarHBondContact O-N 2.91Å; L204-V208 PolarHBondContact O-N 2.98Å; L204-V208 VanDerWaalsContact O-N 3.16Å; L204-L215 HydrophobicContact CB-CD1 4Å; L204-L215 HydrophobicContact CD2-CB 4.32Å; L204-L215 HydrophobicContact CD2-CD1 4.2Å; L204-L215 HydrophobicContact CD2-CD2 3.91Å; L204-L215 HydrophobicContact CD2-CG 4.37Å; L204-V217 HydrophobicContact CD1-CG2 4.15Å; L204-I241 HydrophobicContact CD1-CG2 3.7Å; L204-V245 HydrophobicContact CB-CG1 4.43Å; L204-V245 HydrophobicContact CB-CG2 3.89Å; L204-V245 HydrophobicContact CD1-CG2 3.96Å; L204-M258 HydrophobicContact CD1-CE 4.18Å
205V98.7Very high98.7Very high3 Ų312.1 Ų12.12%0.0187%0.072CC..Hα-helixtrans-61.9-40173.3171.40000110.8V201 E202 V208 A209 V245 R248 L249V201-V205 VanDerWaalsContact O-CG2 3.31Å; V201-V205 WeakPolarHBondContact O-CG2 3.42Å; V201-V205 PolarHBondContact O-N 2.99Å; E202-V205 PolarHBondContact O-N 2.94Å; V205-V208 PolarHBondContact O-N 3.31Å; V205-A209 PolarHBondContact O-N 2.98Å; V205-V245 HydrophobicContact CG2-CG1 4.33Å; V205-V245 HydrophobicContact CG2-CG2 4.46Å; V205-R248 HydrophobicContact CG2-CB 3.85Å; V205-L249 HydrophobicContact CG1-CD2 4.34Å; V205-L249 HydrophobicContact CG2-CD2 4.48Å
206G98.6Very high98.7Very high9 Ų911 Ų119%0.0937%0.067CC..Hα-helixtrans-62.1-41.1173.900000112.9E202 Y203 L204 V208 A209 A210E202-G206 PolarHBondContact O-N 3.23Å; Y203-G206 PolarHBondContact O-N 3.36Å; L204-G206 VanDerWaalsContact C-N 3.29Å; L204-G206 PolarHBondContact O-N 3.18Å; G206-V208 VanDerWaalsContact C-N 3.35Å; G206-V208 PolarHBondContact O-N 2.91Å; G206-A209 PolarHBondContact O-N 3Å; G206-A210 WeakPolarHBondContact O-CB 3.2Å; G206-A210 PolarHBondContact O-N 3.21Å
207Q98.9Very high98.7Very high0 Ų011 Ų110%07%0.067CC..Hα-helixtrans-62.5-39.6176.4-70.3-170.660.200112.6F136 I139 F155 Y203 L204 A210 G211 A212 L215F136-Q207 HydrophobicContact CD1-CG 4.29Å; F136-Q207 HydrophobicContact CE1-CG 3.96Å; I139-Q207 HydrophobicContact CD1-CB 3.66Å; I139-Q207 HydrophobicContact CD1-CG 3.46Å; I139-Q207 VanDerWaalsContact CD1-CG 3.46Å; F155-Q207 PolarHBondContact O-NE2 3.17Å; Y203-Q207 VanDerWaalsContact CD1-NE2 3.34Å; Y203-Q207 HydrophobicContact CD2-CG 4.35Å; Y203-Q207 HydrophobicContact CE2-CG 4.07Å; Y203-Q207 WeakPolarHBondContact O-CG 3.13Å; Y203-Q207 PolarHBondContact O-N 3.02Å; L204-Q207 PolarHBondContact O-N 2.91Å; Q207-A210 CarbonylContact O-C 3.42Å; Q207-A210 WeakPolarHBondContact O-CB 3.26Å; Q207-A210 PolarHBondContact O-N 3.04Å; Q207-G211 PolarHBondContact O-N 3.06Å; Q207-A212 HydrophobicContact CB-CB 4.25Å; Q207-A212 VanDerWaalsContact O-CB 3.28Å; Q207-A212 WeakPolarHBondContact O-CB 3.46Å; Q207-A212 PolarHBondContact O-N 3.4Å; Q207-L215 HydrophobicContact CB-CD2 4.21Å
208V98.8Very high98.7Very high5 Ų512.4 Ų12.43%0.037%0.073CC..Hα-helixtrans-68.5-41.8175.6177.40000111.1L204 V205 G206 A210 G211 L215 L249 V256L204-V208 PolarHBondContact O-N 2.98Å; L204-V208 VanDerWaalsContact O-N 3.16Å; V205-V208 PolarHBondContact O-N 3.31Å; G206-V208 VanDerWaalsContact C-N 3.35Å; G206-V208 PolarHBondContact O-N 2.91Å; V208-A210 PolarHBondContact O-N 2.96Å; V208-G211 PolarHBondContact O-N 3.41Å; V208-L215 HydrophobicContact CG2-CD1 3.69Å; V208-L215 HydrophobicContact CG2-CD2 3.97Å; V208-L215 HydrophobicContact CG2-CG 3.96Å; V208-L249 HydrophobicContact CB-CD1 4.44Å; V208-L249 HydrophobicContact CB-CD2 3.77Å; V208-L249 HydrophobicContact CG1-CD1 4.31Å; V208-L249 HydrophobicContact CG1-CD2 3.67Å; V208-L249 HydrophobicContact CG2-CD1 3.99Å; V208-L249 HydrophobicContact CG2-CD2 4.18Å; V208-V256 HydrophobicContact CG1-CG1 3.89Å; V208-V256 HydrophobicContact CG2-CG1 4.34Å; V208-V256 HydrophobicContact CG2-CG2 3.73Å
209A98.3Very high98.8Very high45 Ų459.5 Ų9.537%0.3726%0.057SC..Hα-helixtrans-59.8-33.717300000112P9 V205 G206 G211P9-A209 WeakPolarHBondContact CB-O 2.99Å; V205-A209 PolarHBondContact O-N 2.98Å; G206-A209 PolarHBondContact O-N 3Å; A209-G211 VanDerWaalsContact C-N 3.28Å; A209-G211 PolarHBondContact O-N 3.31Å
210A98.6Very high98.7Very high5 Ų510.5 Ų10.54%0.0417%0.065CC..THydrogen-bonded Turntrans-77-7.7174.700000114.4F12 F136 I139 T140 G206 Q207 V208F12-A210 WeakPolarHBondContact CZ-O 3.35Å; F136-A210 HydrophobicContact CB-CB 3.86Å; F136-A210 HydrophobicContact CD1-CB 4.35Å; F136-A210 HydrophobicContact CG-CB 4.42Å; F136-A210 WeakPolarHBondContact O-CB 3.45Å; I139-A210 HydrophobicContact CB-CB 3.99Å; I139-A210 HydrophobicContact CG2-CB 3.88Å; I139-A210 WeakPolarHBondContact CG2-O 3.31Å; T140-A210 VanDerWaalsContact CA-O 3.24Å; T140-A210 WeakPolarHBondContact CA-O 3.4Å; T140-A210 PolarHBondContact N-O 3.04Å; T140-A210 PolarHBondContact OG1-O 3.28Å; T140-A210 VanDerWaalsContact OG1-O 3.12Å; G206-A210 WeakPolarHBondContact O-CB 3.2Å; G206-A210 PolarHBondContact O-N 3.21Å; Q207-A210 CarbonylContact O-C 3.42Å; Q207-A210 WeakPolarHBondContact O-CB 3.26Å; Q207-A210 PolarHBondContact O-N 3.04Å; V208-A210 PolarHBondContact O-N 2.96Å
211G98.6Very high98.7Very high3 Ų311.6 Ų11.63%0.0317%0.07CC..THydrogen-bonded Turntrans113.69.3173.800000116.3R143 Q207 V208 A209R143-G211 PolarHBondContact NH1-O 3.02Å; Q207-G211 PolarHBondContact O-N 3.06Å; V208-G211 PolarHBondContact O-N 3.41Å; A209-G211 VanDerWaalsContact C-N 3.28Å; A209-G211 PolarHBondContact O-N 3.31Å
212A98.8Very high98.7Very high4 Ų411.5 Ų11.53%0.0337%0.069CC..  trans-63.8139.7167.700000110.9I139 Q207 L215I139-A212 HydrophobicContact CG2-CB 4.34Å; Q207-A212 HydrophobicContact CB-CB 4.25Å; Q207-A212 VanDerWaalsContact O-CB 3.28Å; Q207-A212 WeakPolarHBondContact O-CB 3.46Å; Q207-A212 PolarHBondContact O-N 3.4Å; A212-L215 HydrophobicContact CB-CD2 4.26Å
213Q98.9Very high98.7Very high22 Ų229.8 Ų9.810%0.1037%0.07CC..SBendtrans-110.5-8.4-175.6-64.7174.9-94.500113.4L21 R143 P151 L152 V256 P257L21-Q213 HydrophobicContact CD1-CB 4.37Å; L21-Q213 HydrophobicContact CD2-CB 4.36Å; L21-Q213 WeakPolarHBondContact CD2-O 3.18Å; R143-Q213 VanDerWaalsContact NE-OE1 3.1Å; R143-Q213 VanDerWaalsContact NH2-CD 3.35Å; P151-Q213 HydrophobicContact CB-CB 4.1Å; L152-Q213 PolarHBondContact O-N 2.9Å; Q213-V256 WeakPolarHBondContact O-CB 3.19Å; Q213-P257 WeakPolarHBondContact O-CD 3.27Å
214A98.9Very high98.7Very high0 Ų011.8 Ų11.80%08%0.08CC..EExtended strand (participates in β ladder)trans-153.2160170.500000108.2F20 L21 I153 G154 P257F20-A214 HydrophobicContact CE1-CB 3.67Å; F20-A214 HydrophobicContact CZ-CB 4.27Å; L21-A214 HydrophobicContact CD2-CB 4.22Å; I153-A214 WeakPolarHBondContact CA-O 3.19Å; I153-A214 HydrophobicContact CG1-CB 4.3Å; G154-A214 PolarHBondContact N-O 3.16Å; A214-P257 WeakPolarHBondContact CA-O 3.43Å; A214-P257 HydrophobicContact CB-CG 3.94Å
215L98.9Very high98.7Very high0 Ų012 Ų120%08%0.081CC..EExtended strand (participates in β ladder)trans-129.9133.7-178.6-63.3171.9000110.8G154 L204 Q207 V208 A212 V245 V256 P257 M258 I259G154-L215 CarbonylContact O-C 3.51Å; G154-L215 VanDerWaalsContact O-CA 3.31Å; G154-L215 WeakPolarHBondContact O-CA 3.5Å; L204-L215 HydrophobicContact CB-CD1 4Å; L204-L215 HydrophobicContact CD2-CB 4.32Å; L204-L215 HydrophobicContact CD2-CD1 4.2Å; L204-L215 HydrophobicContact CD2-CD2 3.91Å; L204-L215 HydrophobicContact CD2-CG 4.37Å; Q207-L215 HydrophobicContact CB-CD2 4.21Å; V208-L215 HydrophobicContact CG2-CD1 3.69Å; V208-L215 HydrophobicContact CG2-CD2 3.97Å; V208-L215 HydrophobicContact CG2-CG 3.96Å; A212-L215 HydrophobicContact CB-CD2 4.26Å; L215-V245 HydrophobicContact CD1-CG1 3.92Å; L215-V256 HydrophobicContact CD1-CG2 4.05Å; L215-V256 HydrophobicContact CG-CG2 4.14Å; L215-P257 PolarHBondContact N-O 3.08Å; L215-M258 HydrophobicContact CB-CG 4.32Å; L215-M258 HydrophobicContact CD1-CE 4.5Å; L215-M258 HydrophobicContact CD1-CG 4.47Å; L215-M258 CarbonylContact O-C 3.53Å; L215-M258 WeakPolarHBondContact O-CA 3.16Å; L215-I259 PolarHBondContact O-N 3.31Å
216Q98.9Very high98.6Very high0 Ų012.9 Ų12.90%09%0.091CC..EExtended strand (participates in β ladder)trans-114.1131.2172.1-173.7158.9-56.700112.3W35 I153 G154 F155 T156 F218 I259W35-Q216 VanDerWaalsContact CZ2-OE1 3.3Å; I153-Q216 HydrophobicContact CG2-CB 4.24Å; G154-Q216 PolarHBondContact O-N 3.15Å; F155-Q216 CarbonylContact C-O 3.24Å; F155-Q216 WeakPolarHBondContact CA-O 3.26Å; F155-Q216 HydrophobicContact CB-CB 4.35Å; F155-Q216 VanDerWaalsContact CB-O 3.29Å; F155-Q216 WeakPolarHBondContact CB-O 3.33Å; T156-Q216 PolarHBondContact N-O 3.03Å; Q216-F218 HydrophobicContact CB-CD2 4.49Å; Q216-F218 HydrophobicContact CB-CE2 4.01Å; Q216-F218 HydrophobicContact CG-CD2 4.02Å; Q216-F218 HydrophobicContact CG-CE2 3.73Å; Q216-F218 HydrophobicContact CG-CZ 4.02Å; Q216-I259 CarbonylContact C-O 3.55Å; Q216-I259 WeakPolarHBondContact CA-O 3.43Å; Q216-I259 HydrophobicContact CB-CB 4.13Å; Q216-I259 HydrophobicContact CB-CD1 4.38Å; Q216-I259 HydrophobicContact CG-CB 4.01Å; Q216-I259 HydrophobicContact CG-CG2 4.07Å
217V98.9Very high98.6Very high0 Ų015 Ų150%010%0.103CC..EExtended strand (participates in β ladder)trans-105.9115.9174.1-1790000108.8T156 A158 L204 L238 I241 M258 I259 F261 Y277T156-V217 HydrophobicContact CG2-CB 4.41Å; T156-V217 HydrophobicContact CG2-CG1 4.28Å; T156-V217 HydrophobicContact CG2-CG2 3.94Å; A158-V217 HydrophobicContact CB-CG1 3.75Å; L204-V217 HydrophobicContact CD1-CG2 4.15Å; V217-L238 HydrophobicContact CG1-CD2 3.73Å; V217-I241 HydrophobicContact CG2-CG2 4.45Å; V217-M258 HydrophobicContact CG2-CE 4.39Å; V217-I259 PolarHBondContact N-O 3.13Å; V217-F261 PolarHBondContact O-N 3.25Å; V217-Y277 HydrophobicContact CB-CE1 4.05Å; V217-Y277 HydrophobicContact CG2-CE1 3.8Å
218F98.9Very high98.6Very high28 Ų2819.4 Ų19.412%0.12313%0.13CC..EExtended strand (participates in β ladder)trans-94.6101.5-176.8-71.8-95.5000111.2M37 I83 F155 T156 A158 Q216 S220 F261M37-F218 HydrophobicContact CG-CE1 4.28Å; M37-F218 HydrophobicContact SD-CE1 3.79Å; I83-F218 HydrophobicContact CD1-CE2 4.27Å; I83-F218 HydrophobicContact CD1-CZ 4.16Å; F155-F218 HydrophobicContact CB-CD2 4.05Å; F155-F218 HydrophobicContact CB-CE2 3.62Å; F155-F218 AromaticContact CD2-CD2 3.76Å; F155-F218 HydrophobicContact CD2-CD2 3.76Å; F155-F218 AromaticContact CD2-CE2 3.64Å; F155-F218 HydrophobicContact CD2-CE2 3.64Å; F155-F218 HydrophobicContact CG-CD2 4.29Å; F155-F218 AromaticContact CG-CE2 3.84Å; F155-F218 HydrophobicContact CG-CE2 3.84Å; T156-F218 PolarHBondContact O-N 3.36Å; A158-F218 WeakPolarHBondContact CB-O 3.47Å; A158-F218 PolarHBondContact N-O 3.28Å; Q216-F218 HydrophobicContact CB-CD2 4.49Å; Q216-F218 HydrophobicContact CB-CE2 4.01Å; Q216-F218 HydrophobicContact CG-CD2 4.02Å; Q216-F218 HydrophobicContact CG-CE2 3.73Å; Q216-F218 HydrophobicContact CG-CZ 4.02Å; F218-S220 VanDerWaalsContact C-N 3.29Å; F218-S220 PolarHBondContact O-N 2.93Å; F218-F261 AromaticContact CD1-CD1 3.72Å; F218-F261 HydrophobicContact CD1-CD1 3.72Å; F218-F261 HydrophobicContact CD1-CE1 4.47Å; F218-F261 HydrophobicContact CE1-CD1 4.25Å
219E98.8Very high98.6Very high0 Ų020.6 Ų20.60%014%0.135CC..EExtended strand (participates in β ladder)trans-9361.7167.4-166.268.1-85.400109.7A158 W160 T161 H221 A222 F230 S234 L238 F261 A262 K263A158-E219 HydrophobicContact CB-CB 3.68Å; A158-E219 HydrophobicContact CB-CG 4.07Å; A158-E219 WeakPolarHBondContact CB-OE1 3.4Å; A158-E219 WeakPolarHBondContact CB-OE2 3.39Å; W160-E219 WeakPolarHBondContact CB-OE1 3.3Å; T161-E219 VanDerWaalsContact CB-OE1 3.26Å; T161-E219 WeakPolarHBondContact CB-OE1 3.36Å; T161-E219 PolarHBondContact N-OE1 3.31Å; T161-E219 VanDerWaalsContact OG1-C 3.29Å; T161-E219 WeakPolarHBondContact OG1-CA 3.34Å; T161-E219 PolarHBondContact OG1-OE1 3.4Å; E219-H221 PolarHBondContact O-N 3.03Å; E219-A222 HydrophobicContact CG-CB 3.84Å; E219-A222 WeakPolarHBondContact O-CB 3.45Å; E219-A222 PolarHBondContact O-N 2.89Å; E219-F230 HydrophobicContact CG-CE2 4.42Å; E219-S234 PolarHBondContact OE2-OG 2.94Å; E219-L238 HydrophobicContact CB-CD1 4.48Å; E219-L238 HydrophobicContact CG-CD1 4.42Å; E219-F261 CarbonylContact C-O 3.47Å; E219-F261 WeakPolarHBondContact CA-O 3.46Å; E219-F261 PolarHBondContact N-O 3.14Å; E219-A262 HydrophobicContact CB-CB 4.22Å; E219-A262 WeakPolarHBondContact O-CA 3.43Å; E219-K263 PolarHBondContact O-N 3.15Å
220S98.3Very high98.6Very high27 Ų2718.5 Ų18.519%0.18912%0.117CC..THydrogen-bonded Turntrans-64.5-18.4-172.2-54.90000114.5T161 F218T161-S220 PolarHBondContact OG1-N 2.83Å; F218-S220 VanDerWaalsContact C-N 3.29Å; F218-S220 PolarHBondContact O-N 2.93Å
221H98.7Very high98.7Very high22 Ų2223.9 Ų23.910%0.10214%0.137CC..THydrogen-bonded Turntrans-106.319.1179.5-58.6156000113.1W160 T161 Y165 H175 E219 I224W160-H221 PolarHBondContact NE1-O 2.77Å; T161-H221 PolarHBondContact O-ND1 3.33Å; T161-H221 PolarHBondContact OG1-N 3.17Å; T161-H221 VanDerWaalsContact OG1-N 3.09Å; Y165-H221 AromaticContact CD2-CE1 3.56Å; Y165-H221 AromaticContact CE2-CE1 3.19Å; Y165-H221 WeakPolarHBondContact CE2-CE1 3.24Å; Y165-H221 AromaticContact CE2-NE2 3.73Å; Y165-H221 AromaticContact CZ-CE1 3.6Å; Y165-H221 AromaticContact CZ-NE2 3.84Å; H175-H221 AromaticContact CE1-CD2 3.54Å; H175-H221 AromaticContact CE1-CE1 3.57Å; H175-H221 AromaticContact CE1-CG 3.48Å; H175-H221 VanDerWaalsContact CE1-CG 3.48Å; H175-H221 AromaticContact CE1-ND1 3.5Å; H175-H221 PolarHBondContact CE1-ND1 2.95Å; H175-H221 AromaticContact CE1-NE2 3.62Å; H175-H221 AromaticContact ND1-ND1 3.93Å; E219-H221 PolarHBondContact O-N 3.03Å; H221-I224 HydrophobicContact CB-CG1 4.49Å; H221-I224 WeakPolarHBondContact O-CB 3.44Å; H221-I224 PolarHBondContact O-N 3.33Å
222A98.6Very high98.7Very high0 Ų027.8 Ų27.80%015%0.154CC..G310 helixtrans-60.7-46.6-17500000113.5E219 I224 L225 F230 A262 K263 A265 Y267E219-A222 HydrophobicContact CG-CB 3.84Å; E219-A222 WeakPolarHBondContact O-CB 3.45Å; E219-A222 PolarHBondContact O-N 2.89Å; A222-I224 PolarHBondContact O-N 2.88Å; A222-L225 WeakPolarHBondContact O-CB 3.46Å; A222-L225 PolarHBondContact O-N 3.12Å; A222-F230 HydrophobicContact CB-CD2 4.29Å; A222-F230 HydrophobicContact CB-CE2 3.9Å; A222-A262 HydrophobicContact CB-CB 3.93Å; A222-K263 WeakPolarHBondContact CB-O 3.28Å; A222-A265 HydrophobicContact CB-CB 3.63Å; A222-Y267 PolarHBondContact O-OH 3.42Å
223G98.1Very high98.7Very high31 Ų3127.9 Ų27.932%0.3215%0.154SC..G310 helixtrans-67.3-3.1-177.500000116.1L225 K263 D264G223-L225 VanDerWaalsContact C-N 3.29Å; G223-K263 PolarHBondContact N-O 2.85Å; G223-D264 WeakPolarHBondContact CA-O 3.42Å
224I97.9Very high98.7Very high43 Ų4326.8 Ų26.822%0.22115%0.149CC..G310 helixtrans-76.7-22.8170.8-53.9-63.1000111.6H175 K179 H221 A222H175-I224 HydrophobicContact CB-CG2 3.68Å; H175-I224 VanDerWaalsContact CD2-CG1 3.43Å; H175-I224 WeakPolarHBondContact CD2-CG1 3.41Å; K179-I224 HydrophobicContact CD-CG2 3.78Å; K179-I224 HydrophobicContact CG-CG2 4.5Å; K179-I224 PolarHBondContact NZ-O 3.41Å; H221-I224 HydrophobicContact CB-CG1 4.49Å; H221-I224 WeakPolarHBondContact O-CB 3.44Å; H221-I224 PolarHBondContact O-N 3.33Å; A222-I224 PolarHBondContact O-N 2.88Å
225L98.6Very high98.7Very high4 Ų427 Ų272%0.02115%0.15CC..SBendtrans-88.9147173.1-58.8-176.7000110.8W160 K179 L182 A222 G223 E229 F230 Y267W160-L225 HydrophobicContact CD2-CD1 3.85Å; W160-L225 HydrophobicContact CD2-CD2 4.36Å; W160-L225 HydrophobicContact CD2-CG 4.29Å; W160-L225 HydrophobicContact CG-CD1 3.91Å; W160-L225 HydrophobicContact CH2-CD2 3.83Å; W160-L225 HydrophobicContact CZ2-CD1 4.35Å; W160-L225 HydrophobicContact CZ2-CD2 3.46Å; W160-L225 VanDerWaalsContact CZ2-CD2 3.46Å; W160-L225 HydrophobicContact CZ2-CG 3.88Å; W160-L225 HydrophobicContact CZ3-CD2 4.42Å; K179-L225 HydrophobicContact CG-CD2 4.4Å; L182-L225 HydrophobicContact CD1-CD2 3.66Å; A222-L225 WeakPolarHBondContact O-CB 3.46Å; A222-L225 PolarHBondContact O-N 3.12Å; G223-L225 VanDerWaalsContact C-N 3.29Å; L225-E229 HydrophobicContact CB-CB 4.26Å; L225-E229 HydrophobicContact CD2-CB 4Å; L225-F230 HydrophobicContact CB-CB 4.21Å; L225-F230 HydrophobicContact CD1-CB 4.46Å; L225-F230 HydrophobicContact CD1-CD2 4.5Å; L225-Y267 WeakPolarHBondContact O-CE1 3.19Å; L225-Y267 PolarHBondContact O-OH 3.35Å
226G98.3Very high98.7Very high22 Ų2229.8 Ų29.823%0.22717%0.168CC..  trans-80.6173.8162.700000111V228 E229 F230G226-V228 VanDerWaalsContact C-N 3.25Å; G226-V228 PolarHBondContact O-N 2.83Å; G226-E229 PolarHBondContact N-OE2 3.26Å; G226-E229 PolarHBondContact O-N 3.36Å; G226-F230 WeakPolarHBondContact O-CB 3.3Å; G226-F230 PolarHBondContact O-N 3.15Å
227P98.5Very high98.7Very high55 Ų5530.6 Ų30.636%0.35717%0.171SC..Hα-helixtrans-58.4-34.4-179-24.833.4000114.1R231 Y267P227-R231 WeakPolarHBondContact O-CB 3.46Å; P227-R231 VanDerWaalsContact O-CG 3.24Å; P227-R231 WeakPolarHBondContact O-CG 3.29Å; P227-R231 PolarHBondContact O-N 3.34Å; P227-R231 VanDerWaalsContact O-N 3.16Å; P227-Y267 HydrophobicContact CB-CD2 4.04Å; P227-Y267 HydrophobicContact CG-CD2 3.88Å; P227-Y267 HydrophobicContact CG-CG 3.91Å
228V98.6Very high98.7Very high91 Ų9130.6 Ų30.655%0.55217%0.171SC*.Hα-helixtrans-67-55.2179.7176.30000110G226 F230 R231 E232G226-V228 VanDerWaalsContact C-N 3.25Å; G226-V228 PolarHBondContact O-N 2.83Å; V228-F230 VanDerWaalsContact C-N 3.31Å; V228-F230 PolarHBondContact O-N 3.42Å; V228-R231 PolarHBondContact O-N 2.91Å; V228-E232 PolarHBondContact O-N 3.33Å; V228-E232 VanDerWaalsContact O-N 3.15Å
229E98.8Very high98.7Very high31 Ų3133 Ų3315%0.14518%0.179CC..Hα-helixtrans-67.5-32.5-178.3-6174.1-127.700111.9L182 Y183 L225 G226 E232 F233L182-E229 HydrophobicContact CD1-CB 4.47Å; Y183-E229 HydrophobicContact CE1-CG 4.39Å; Y183-E229 VanDerWaalsContact OH-CD 3.24Å; Y183-E229 PolarHBondContact OH-OE1 3.45Å; L225-E229 HydrophobicContact CB-CB 4.26Å; L225-E229 HydrophobicContact CD2-CB 4Å; G226-E229 PolarHBondContact N-OE2 3.26Å; G226-E229 PolarHBondContact O-N 3.36Å; E229-E232 PolarHBondContact O-N 3.38Å; E229-F233 HydrophobicContact CB-CD2 4.25Å; E229-F233 WeakPolarHBondContact O-CB 3.3Å; E229-F233 PolarHBondContact O-N 3.48Å
230F98.9Very high98.7Very high0 Ų035 Ų350%019%0.19CC..Hα-helixtrans-62.8-44174.8-175.9-92.9000111.9E219 A222 L225 G226 V228 E232 S234 L235 L238 Y267 A268 L272E219-F230 HydrophobicContact CG-CE2 4.42Å; A222-F230 HydrophobicContact CB-CD2 4.29Å; A222-F230 HydrophobicContact CB-CE2 3.9Å; L225-F230 HydrophobicContact CB-CB 4.21Å; L225-F230 HydrophobicContact CD1-CB 4.46Å; L225-F230 HydrophobicContact CD1-CD2 4.5Å; G226-F230 WeakPolarHBondContact O-CB 3.3Å; G226-F230 PolarHBondContact O-N 3.15Å; V228-F230 VanDerWaalsContact C-N 3.31Å; V228-F230 PolarHBondContact O-N 3.42Å; F230-E232 VanDerWaalsContact C-N 3.27Å; F230-E232 PolarHBondContact O-N 2.94Å; F230-S234 VanDerWaalsContact CE2-OG 3.31Å; F230-S234 WeakPolarHBondContact CE2-OG 3.36Å; F230-S234 PolarHBondContact O-N 3Å; F230-L235 HydrophobicContact CD1-CB 4.01Å; F230-L235 HydrophobicContact CE1-CB 3.74Å; F230-L235 HydrophobicContact CE1-CD1 4.19Å; F230-L235 HydrophobicContact CE1-CG 4.38Å; F230-L235 PolarHBondContact O-N 2.95Å; F230-L238 HydrophobicContact CZ-CD1 4.1Å; F230-Y267 HydrophobicContact CB-CE2 3.64Å; F230-Y267 HydrophobicContact CD1-CE2 4.09Å; F230-Y267 HydrophobicContact CD2-CE2 4.24Å; F230-Y267 AromaticContact CG-CE2 3.73Å; F230-Y267 HydrophobicContact CG-CE2 3.73Å; F230-A268 HydrophobicContact CD1-CB 3.73Å; F230-A268 HydrophobicContact CE1-CB 3.42Å; F230-A268 VanDerWaalsContact CE1-CB 3.42Å; F230-A268 HydrophobicContact CZ-CB 4.01Å; F230-L272 HydrophobicContact CZ-CD2 4.2Å
231R98.8Very high98.7Very high118 Ų11833.8 Ų33.845%0.44518%0.181SC..Hα-helixtrans-65.2-29.8177-76.8176.9-169.8129.410.1113.4P227 V228 L235 P236 E271P227-R231 WeakPolarHBondContact O-CB 3.46Å; P227-R231 VanDerWaalsContact O-CG 3.24Å; P227-R231 WeakPolarHBondContact O-CG 3.29Å; P227-R231 PolarHBondContact O-N 3.34Å; P227-R231 VanDerWaalsContact O-N 3.16Å; V228-R231 PolarHBondContact O-N 2.91Å; R231-L235 HydrophobicContact CG-CD2 4.42Å; R231-P236 WeakPolarHBondContact O-CD 3.5Å; R231-P236 WeakPolarHBondContact O-CG 3.47Å; R231-E271 WeakPolarHBondContact CD-OE1 3.17Å; R231-E271 VanDerWaalsContact CG-OE1 3.31Å; R231-E271 WeakPolarHBondContact CG-OE1 3.44Å; R231-E271 IonicContact CZ-OE1 3.37Å; R231-E271 IonicContact CZ-OE2 3.77Å; R231-E271 VanDerWaalsContact CZ-OE2 3.25Å; R231-E271 IonicContact NE-OE1 3.88Å; R231-E271 PolarHBondContact NE-OE1 3.41Å; R231-E271 IonicContact NE-OE2 2.86Å; R231-E271 PolarHBondContact NE-OE2 3.07Å; R231-E271 IonicContact NH2-OE2 3.81Å; R231-E271 PolarHBondContact NH2-OE2 3.27Å
232E98.8Very high98.7Very high86 Ų8632.7 Ų32.740%0.40218%0.176SC..Hα-helixtrans-87-45.3-179.1-172.8171.9-179.700112.2H190 V228 E229 F230H190-E232 PolarHBondContact CE1-O 3.43Å; H190-E232 IonicContact NE2-OE1 3.93Å; V228-E232 PolarHBondContact O-N 3.33Å; V228-E232 VanDerWaalsContact O-N 3.15Å; E229-E232 PolarHBondContact O-N 3.38Å; F230-E232 VanDerWaalsContact C-N 3.27Å; F230-E232 PolarHBondContact O-N 2.94Å
233F98.9Very high98.7Very high5 Ų537.9 Ų37.92%0.02220%0.196CC..Hα-helixtrans-112.5-8.9-165.4-62.2-74.3000115.3L182 P186 H190 L193 E229 Y237L182-F233 HydrophobicContact CB-CD2 4.13Å; L182-F233 HydrophobicContact CB-CE2 3.94Å; L182-F233 HydrophobicContact CB-CZ 4.19Å; L182-F233 HydrophobicContact CD1-CB 4.2Å; L182-F233 HydrophobicContact CD1-CD2 3.87Å; L182-F233 HydrophobicContact CD1-CE2 4.5Å; L182-F233 HydrophobicContact CD1-CG 4.08Å; L182-F233 HydrophobicContact CD2-CB 4.07Å; L182-F233 HydrophobicContact CD2-CD1 3.75Å; L182-F233 HydrophobicContact CD2-CD2 4.15Å; L182-F233 HydrophobicContact CD2-CE1 4.2Å; L182-F233 HydrophobicContact CD2-CG 3.72Å; L182-F233 HydrophobicContact CG-CD2 4.26Å; L182-F233 HydrophobicContact CG-CG 4.31Å; P186-F233 HydrophobicContact CB-CE1 4.35Å; P186-F233 HydrophobicContact CB-CZ 4.1Å; H190-F233 AromaticContact CD2-CE1 3.72Å; H190-F233 AromaticContact CE1-CD1 3.93Å; H190-F233 AromaticContact CE1-CE1 3.91Å; H190-F233 AromaticContact NE2-CD1 3.91Å; H190-F233 AromaticContact NE2-CE1 3.41Å; H190-F233 WeakPolarHBondContact NE2-CE1 3.5Å; L193-F233 HydrophobicContact CD1-CB 3.98Å; L193-F233 HydrophobicContact CD1-CD1 3.92Å; L193-F233 HydrophobicContact CD1-CG 4.45Å; L193-F233 VanDerWaalsContact CD1-O 3.28Å; L193-F233 WeakPolarHBondContact CD1-O 3.45Å; E229-F233 HydrophobicContact CB-CD2 4.25Å; E229-F233 WeakPolarHBondContact O-CB 3.3Å; E229-F233 PolarHBondContact O-N 3.48Å; F233-Y237 WeakPolarHBondContact O-CD2 3.42Å
234S98.8Very high98.7Very high0 Ų039 Ų390%019%0.19CC..THydrogen-bonded Turntrans-122.3-60.3178.3172.90000112.2E219 F230 P236 Y237 L238E219-S234 PolarHBondContact OE2-OG 2.94Å; F230-S234 VanDerWaalsContact CE2-OG 3.31Å; F230-S234 WeakPolarHBondContact CE2-OG 3.36Å; F230-S234 PolarHBondContact O-N 3Å; S234-P236 VanDerWaalsContact C-CD 3.44Å; S234-Y237 PolarHBondContact O-N 3.24Å; S234-L238 PolarHBondContact O-N 2.8Å; S234-L238 VanDerWaalsContact O-N 3.13Å
235L98.9Very high98.8Very high4 Ų436.9 Ų36.92%0.02118%0.18CC..Hα-helixtrans-53.6-42.3-173.7-177.663.1000114.8F230 R231 Y237 L238 R239 E271 L272F230-L235 HydrophobicContact CD1-CB 4.01Å; F230-L235 HydrophobicContact CE1-CB 3.74Å; F230-L235 HydrophobicContact CE1-CD1 4.19Å; F230-L235 HydrophobicContact CE1-CG 4.38Å; F230-L235 PolarHBondContact O-N 2.95Å; R231-L235 HydrophobicContact CG-CD2 4.42Å; L235-Y237 PolarHBondContact O-N 2.89Å; L235-L238 PolarHBondContact O-N 3.49Å; L235-R239 HydrophobicContact CD1-CG 4.29Å; L235-R239 WeakPolarHBondContact O-CG 3.36Å; L235-R239 PolarHBondContact O-N 3.22Å; L235-E271 HydrophobicContact CD2-CB 3.78Å; L235-E271 HydrophobicContact CD2-CG 4.39Å; L235-E271 WeakPolarHBondContact CD2-OE1 3.37Å; L235-L272 HydrophobicContact CD1-CD2 4.3Å
236P98.9Very high98.8Very high58 Ų5838.9 Ų38.938%0.37719%0.188SC..Hα-helixtrans-61.1-36.6-179.6-24.937.1000112.2R231 S234 D240R231-P236 WeakPolarHBondContact O-CD 3.5Å; R231-P236 WeakPolarHBondContact O-CG 3.47Å; S234-P236 VanDerWaalsContact C-CD 3.44Å; P236-D240 WeakPolarHBondContact O-CB 3.37Å; P236-D240 PolarHBondContact O-N 3.13Å
237Y98.9Very high98.8Very high17 Ų1741.3 Ų41.37%0.06720%0.196CC..Hα-helixtrans-79.1-34.7-179-56-80.8000112.6H190 L193 R194 A197 F233 S234 L235 R239 D240 I241H190-Y237 WeakPolarHBondContact CA-OH 3.21Å; H190-Y237 WeakPolarHBondContact CB-OH 3.45Å; H190-Y237 AromaticContact ND1-CZ 3.79Å; H190-Y237 PolarHBondContact ND1-OH 2.84Å; H190-Y237 PolarHBondContact O-OH 3.31Å; L193-Y237 HydrophobicContact CB-CD1 4.09Å; L193-Y237 HydrophobicContact CB-CD2 3.93Å; L193-Y237 HydrophobicContact CB-CE1 3.67Å; L193-Y237 HydrophobicContact CB-CE2 3.51Å; L193-Y237 HydrophobicContact CB-CG 4.19Å; L193-Y237 HydrophobicContact CD1-CD2 4.26Å; L193-Y237 HydrophobicContact CD1-CE2 3.58Å; L193-Y237 HydrophobicContact CG-CD2 4.48Å; L193-Y237 HydrophobicContact CG-CE2 4.07Å; R194-Y237 HydrophobicContact CB-CE1 4.22Å; A197-Y237 HydrophobicContact CB-CD1 4.17Å; F233-Y237 WeakPolarHBondContact O-CD2 3.42Å; S234-Y237 PolarHBondContact O-N 3.24Å; L235-Y237 PolarHBondContact O-N 2.89Å; Y237-R239 VanDerWaalsContact C-N 3.33Å; Y237-D240 PolarHBondContact O-N 3.33Å; Y237-I241 WeakPolarHBondContact O-CB 3.48Å; Y237-I241 WeakPolarHBondContact O-CD1 3.36Å; Y237-I241 VanDerWaalsContact O-CG1 3.23Å; Y237-I241 WeakPolarHBondContact O-CG1 3.37Å; Y237-I241 PolarHBondContact O-N 2.91Å
238L98.9Very high98.8Very high0 Ų042.2 Ų42.20%019%0.192CC..Hα-helixtrans-57.9-48.1169.6-69.1172.8000110.5A158 V217 E219 F230 S234 L235 I241 A242 V260 L272 Y277A158-L238 HydrophobicContact CB-CD2 3.77Å; V217-L238 HydrophobicContact CG1-CD2 3.73Å; E219-L238 HydrophobicContact CB-CD1 4.48Å; E219-L238 HydrophobicContact CG-CD1 4.42Å; F230-L238 HydrophobicContact CZ-CD1 4.1Å; S234-L238 PolarHBondContact O-N 2.8Å; S234-L238 VanDerWaalsContact O-N 3.13Å; L235-L238 PolarHBondContact O-N 3.49Å; L238-I241 PolarHBondContact O-N 3.02Å; L238-A242 PolarHBondContact O-N 3.34Å; L238-A242 VanDerWaalsContact O-N 3.08Å; L238-V260 HydrophobicContact CD1-CG2 4.18Å; L238-V260 HydrophobicContact CD2-CG2 4.2Å; L238-L272 HydrophobicContact CD1-CD2 4.11Å; L238-Y277 HydrophobicContact CB-CE2 4.24Å; L238-Y277 WeakPolarHBondContact O-CE2 3.31Å; L238-Y277 PolarHBondContact O-OH 3.29Å
239R98.9Very high98.7Very high79 Ų7938 Ų3830%0.29817%0.167SC..Hα-helixtrans-61.1-45.2176.3-74.8178.8172.3165.70.1112.4L235 Y237 A242 R243 E271L235-R239 HydrophobicContact CD1-CG 4.29Å; L235-R239 WeakPolarHBondContact O-CG 3.36Å; L235-R239 PolarHBondContact O-N 3.22Å; Y237-R239 VanDerWaalsContact C-N 3.33Å; R239-A242 PolarHBondContact O-N 2.88Å; R239-R243 WeakPolarHBondContact O-CB 3.26Å; R239-R243 PolarHBondContact O-N 3.31Å; R239-E271 PolarHBondContact NH2-O 2.83Å
240D98.8Very high98.7Very high43 Ų4344.5 Ų44.523%0.2320%0.195CC..Hα-helixtrans-63.1-43.2179.4-170.854.8000112.1P236 Y237 R243 R244P236-D240 WeakPolarHBondContact O-CB 3.37Å; P236-D240 PolarHBondContact O-N 3.13Å; Y237-D240 PolarHBondContact O-N 3.33Å; D240-R243 PolarHBondContact O-N 2.91Å; D240-R243 IonicContact OD1-CZ 3.18Å; D240-R243 IonicContact OD1-NE 3.52Å; D240-R243 IonicContact OD1-NH2 3.97Å; D240-R243 PolarHBondContact OD1-NH2 3.42Å; D240-R244 WeakPolarHBondContact O-CB 3.3Å; D240-R244 VanDerWaalsContact O-CG 3.29Å; D240-R244 WeakPolarHBondContact O-CG 3.24Å; D240-R244 PolarHBondContact O-N 3.34Å; D240-R244 VanDerWaalsContact OD1-CD 3.25Å; D240-R244 WeakPolarHBondContact OD1-CD 3.39Å; D240-R244 WeakPolarHBondContact OD2-CD 3.31Å; D240-R244 IonicContact OD2-CZ 3.86Å; D240-R244 IonicContact OD2-NE 3.55Å; D240-R244 IonicContact OD2-NH1 3.69Å; D240-R244 PolarHBondContact OD2-NH1 3.13Å
241I98.9Very high98.5Very high0 Ų051.6 Ų51.60%023%0.227CC..Hα-helixtrans-59.6-53.4176.5-72.9162.1000110.6P159 A197 I200 V201 L204 V217 Y237 L238 R243 R244 V245 M258P159-I241 HydrophobicContact CG-CD1 3.56Å; A197-I241 HydrophobicContact CB-CD1 4.26Å; A197-I241 HydrophobicContact CB-CG1 4.11Å; I200-I241 HydrophobicContact CB-CD1 4.22Å; I200-I241 HydrophobicContact CD1-CD1 4.02Å; I200-I241 HydrophobicContact CG2-CD1 3.76Å; I200-I241 HydrophobicContact CG2-CG1 4.03Å; I200-I241 HydrophobicContact CG2-CG2 3.88Å; V201-I241 HydrophobicContact CG2-CB 4.49Å; V201-I241 HydrophobicContact CG2-CG1 4.22Å; L204-I241 HydrophobicContact CD1-CG2 3.7Å; V217-I241 HydrophobicContact CG2-CG2 4.45Å; Y237-I241 WeakPolarHBondContact O-CB 3.48Å; Y237-I241 WeakPolarHBondContact O-CD1 3.36Å; Y237-I241 VanDerWaalsContact O-CG1 3.23Å; Y237-I241 WeakPolarHBondContact O-CG1 3.37Å; Y237-I241 PolarHBondContact O-N 2.91Å; L238-I241 PolarHBondContact O-N 3.02Å; I241-R243 VanDerWaalsContact C-N 3.34Å; I241-R243 PolarHBondContact O-N 3.37Å; I241-R244 PolarHBondContact O-N 2.8Å; I241-V245 HydrophobicContact CG2-CG2 4.25Å; I241-V245 WeakPolarHBondContact O-CB 3.33Å; I241-V245 VanDerWaalsContact O-CG2 3.24Å; I241-V245 WeakPolarHBondContact O-CG2 3.49Å; I241-V245 PolarHBondContact O-N 3.28Å; I241-M258 HydrophobicContact CG2-CE 4.36Å
242A98.8Very high98.3Very high0 Ų051.1 Ų51.10%023%0.229CC..Hα-helixtrans-58.6-46.4-178.900000111.9L238 R239 K246 M258 H276 Y277L238-A242 PolarHBondContact O-N 3.34Å; L238-A242 VanDerWaalsContact O-N 3.08Å; R239-A242 PolarHBondContact O-N 2.88Å; A242-K246 WeakPolarHBondContact O-CB 3.43Å; A242-K246 VanDerWaalsContact O-CG 3.25Å; A242-K246 WeakPolarHBondContact O-CG 3.33Å; A242-K246 PolarHBondContact O-N 3.42Å; A242-K246 VanDerWaalsContact O-N 3.11Å; A242-M258 HydrophobicContact CB-CE 4.45Å; A242-M258 HydrophobicContact CB-SD 4.38Å; A242-H276 HydrophobicContact CB-CB 4.02Å; A242-Y277 HydrophobicContact CB-CD2 3.83Å; A242-Y277 HydrophobicContact CB-CE1 4.28Å; A242-Y277 HydrophobicContact CB-CE2 3.55Å; A242-Y277 HydrophobicContact CB-CG 4.36Å
243R98.7Very high98.2Very high108 Ų10850.6 Ų50.641%0.40825%0.246SC..Hα-helixtrans-60.4-54.7178.1-175.8-170.862.677.6-2.5111.7R239 D240 I241 V245 K246 D247R239-R243 WeakPolarHBondContact O-CB 3.26Å; R239-R243 PolarHBondContact O-N 3.31Å; D240-R243 PolarHBondContact O-N 2.91Å; D240-R243 IonicContact OD1-CZ 3.18Å; D240-R243 IonicContact OD1-NE 3.52Å; D240-R243 IonicContact OD1-NH2 3.97Å; D240-R243 PolarHBondContact OD1-NH2 3.42Å; I241-R243 VanDerWaalsContact C-N 3.34Å; I241-R243 PolarHBondContact O-N 3.37Å; R243-V245 PolarHBondContact O-N 2.96Å; R243-K246 PolarHBondContact O-N 3.29Å; R243-D247 IonicContact NH1-OD2 3.44Å; R243-D247 PolarHBondContact NH1-OD2 3.33Å; R243-D247 VanDerWaalsContact O-CG 3.24Å; R243-D247 PolarHBondContact O-N 3.37Å
244R98.8Very high98Very high54 Ų5453.6 Ų53.620%0.20426%0.261CS..Hα-helixtrans-65.7-39.1-175.5-71.5167.462.3-177.51.1112.9D198 V201 D240 I241 R248D198-R244 IonicContact OD1-CZ 2.81Å; D198-R244 IonicContact OD1-NH1 3.74Å; D198-R244 PolarHBondContact OD1-NH1 2.85Å; D198-R244 IonicContact OD1-NH2 2.77Å; D198-R244 PolarHBondContact OD1-NH2 3.49Å; V201-R244 HydrophobicContact CG1-CB 3.89Å; V201-R244 HydrophobicContact CG2-CB 3.86Å; D240-R244 WeakPolarHBondContact O-CB 3.3Å; D240-R244 VanDerWaalsContact O-CG 3.29Å; D240-R244 WeakPolarHBondContact O-CG 3.24Å; D240-R244 PolarHBondContact O-N 3.34Å; D240-R244 VanDerWaalsContact OD1-CD 3.25Å; D240-R244 WeakPolarHBondContact OD1-CD 3.39Å; D240-R244 WeakPolarHBondContact OD2-CD 3.31Å; D240-R244 IonicContact OD2-CZ 3.86Å; D240-R244 IonicContact OD2-NE 3.55Å; D240-R244 IonicContact OD2-NH1 3.69Å; D240-R244 PolarHBondContact OD2-NH1 3.13Å; I241-R244 PolarHBondContact O-N 2.8Å; R244-R248 WeakPolarHBondContact O-CB 3.05Å; R244-R248 WeakPolarHBondContact O-CG 3.45Å; R244-R248 PolarHBondContact O-N 2.96Å; R244-R248 VanDerWaalsContact O-N 3.09Å
245V98.8Very high97.8Very high0 Ų058.6 Ų58.60%029%0.287CS..Hα-helixtrans-61.7-48.9175.3170.60000109.6V201 L204 V205 L215 I241 R243 D247 R248 L249 M258V201-V245 HydrophobicContact CB-CG2 4.39Å; V201-V245 HydrophobicContact CG1-CG2 4.26Å; V201-V245 HydrophobicContact CG2-CG2 4.25Å; L204-V245 HydrophobicContact CB-CG1 4.43Å; L204-V245 HydrophobicContact CB-CG2 3.89Å; L204-V245 HydrophobicContact CD1-CG2 3.96Å; V205-V245 HydrophobicContact CG2-CG1 4.33Å; V205-V245 HydrophobicContact CG2-CG2 4.46Å; L215-V245 HydrophobicContact CD1-CG1 3.92Å; I241-V245 HydrophobicContact CG2-CG2 4.25Å; I241-V245 WeakPolarHBondContact O-CB 3.33Å; I241-V245 VanDerWaalsContact O-CG2 3.24Å; I241-V245 WeakPolarHBondContact O-CG2 3.49Å; I241-V245 PolarHBondContact O-N 3.28Å; R243-V245 PolarHBondContact O-N 2.96Å; V245-D247 PolarHBondContact O-N 2.86Å; V245-R248 PolarHBondContact O-N 3.49Å; V245-L249 HydrophobicContact CG1-CD1 3.75Å; V245-L249 HydrophobicContact CG1-CG 4.2Å; V245-L249 WeakPolarHBondContact O-CB 3.43Å; V245-L249 VanDerWaalsContact O-CG 3.25Å; V245-L249 WeakPolarHBondContact O-CG 3.2Å; V245-L249 PolarHBondContact O-N 3.27Å; V245-M258 HydrophobicContact CB-CE 4.18Å; V245-M258 HydrophobicContact CB-SD 4.01Å; V245-M258 HydrophobicContact CG1-CE 4.19Å; V245-M258 HydrophobicContact CG1-SD 3.84Å; V245-M258 HydrophobicContact CG2-CE 4.41Å
246K98.6Very high97.7Very high46 Ų4659 Ų5920%0.229%0.29CS..Hα-helixtrans-61.4-44.8178.8-74179177.2-170.20113.3A242 R243 R248 L249 K250 M258 H276 E278A242-K246 WeakPolarHBondContact O-CB 3.43Å; A242-K246 VanDerWaalsContact O-CG 3.25Å; A242-K246 WeakPolarHBondContact O-CG 3.33Å; A242-K246 PolarHBondContact O-N 3.42Å; A242-K246 VanDerWaalsContact O-N 3.11Å; R243-K246 PolarHBondContact O-N 3.29Å; K246-R248 VanDerWaalsContact C-N 3.31Å; K246-R248 PolarHBondContact O-N 3.19Å; K246-L249 PolarHBondContact O-N 3.26Å; K246-K250 VanDerWaalsContact O-CB 3.27Å; K246-K250 WeakPolarHBondContact O-CB 3.41Å; K246-K250 PolarHBondContact O-N 3.37Å; K246-M258 HydrophobicContact CG-SD 4.17Å; K246-H276 WeakPolarHBondContact CE-O 3.39Å; K246-H276 PolarHBondContact NZ-O 3.35Å; K246-E278 WeakPolarHBondContact CE-OE2 3.48Å; K246-E278 IonicContact NZ-OE1 3.51Å; K246-E278 PolarHBondContact NZ-OE1 2.93Å; K246-E278 IonicContact NZ-OE2 3.68Å; K246-E278 PolarHBondContact NZ-OE2 2.84Å
247D98.4Very high97.7Very high73 Ų7356.3 Ų56.339%0.3927%0.272SS..Hα-helixtrans-56.2-48.2176.6-69.7-22.4000110.5R243 V245 L249 K250 E251R243-D247 IonicContact NH1-OD2 3.44Å; R243-D247 PolarHBondContact NH1-OD2 3.33Å; R243-D247 VanDerWaalsContact O-CG 3.24Å; R243-D247 PolarHBondContact O-N 3.37Å; V245-D247 PolarHBondContact O-N 2.86Å; D247-L249 PolarHBondContact O-N 3.4Å; D247-K250 PolarHBondContact O-N 3.42Å; D247-E251 WeakPolarHBondContact O-CG 3.33Å; D247-E251 PolarHBondContact O-N 3.13Å; D247-E251 VanDerWaalsContact O-N 3.08Å
248R98.3Very high97.7Very high73 Ų7355.6 Ų55.628%0.27527%0.27SS..Hα-helixtrans-69-32.7-179.4-68.2-72.7-66.1-69.4-6114E202 V205 R244 V245 K246E202-R248 IonicContact OE1-CZ 3.98Å; E202-R248 IonicContact OE1-NH1 2.94Å; E202-R248 PolarHBondContact OE1-NH1 3.39Å; E202-R248 IonicContact OE1-NH2 3.54Å; E202-R248 IonicContact OE2-CZ 3.25Å; E202-R248 IonicContact OE2-NH1 2.82Å; E202-R248 IonicContact OE2-NH2 2.72Å; E202-R248 PolarHBondContact OE2-NH2 2.77Å; V205-R248 HydrophobicContact CG2-CB 3.85Å; R244-R248 WeakPolarHBondContact O-CB 3.05Å; R244-R248 WeakPolarHBondContact O-CG 3.45Å; R244-R248 PolarHBondContact O-N 2.96Å; R244-R248 VanDerWaalsContact O-N 3.09Å; V245-R248 PolarHBondContact O-N 3.49Å; K246-R248 VanDerWaalsContact C-N 3.31Å; K246-R248 PolarHBondContact O-N 3.19Å
249L98.2Very high97.7Very high3 Ų355.6 Ų55.62%0.01627%0.27CS..Hα-helixtrans-73.6-39.4174.7-68.5179.5000111.2V205 V208 V245 K246 D247 E251 K252 G253 Q254 V256V205-L249 HydrophobicContact CG1-CD2 4.34Å; V205-L249 HydrophobicContact CG2-CD2 4.48Å; V208-L249 HydrophobicContact CB-CD1 4.44Å; V208-L249 HydrophobicContact CB-CD2 3.77Å; V208-L249 HydrophobicContact CG1-CD1 4.31Å; V208-L249 HydrophobicContact CG1-CD2 3.67Å; V208-L249 HydrophobicContact CG2-CD1 3.99Å; V208-L249 HydrophobicContact CG2-CD2 4.18Å; V245-L249 HydrophobicContact CG1-CD1 3.75Å; V245-L249 HydrophobicContact CG1-CG 4.2Å; V245-L249 WeakPolarHBondContact O-CB 3.43Å; V245-L249 VanDerWaalsContact O-CG 3.25Å; V245-L249 WeakPolarHBondContact O-CG 3.2Å; V245-L249 PolarHBondContact O-N 3.27Å; K246-L249 PolarHBondContact O-N 3.26Å; D247-L249 PolarHBondContact O-N 3.4Å; L249-E251 VanDerWaalsContact C-N 3.33Å; L249-E251 PolarHBondContact O-N 3.29Å; L249-K252 CarbonylContact O-C 2.97Å; L249-K252 WeakPolarHBondContact O-CA 3.43Å; L249-K252 WeakPolarHBondContact O-CB 3.46Å; L249-K252 PolarHBondContact O-N 3.11Å; L249-G253 PolarHBondContact O-N 3.35Å; L249-Q254 CarbonylContact C-O 3.59Å; L249-Q254 VanDerWaalsContact C-O 3.24Å; L249-Q254 HydrophobicContact CB-CB 4.23Å; L249-Q254 WeakPolarHBondContact CB-O 3.1Å; L249-Q254 HydrophobicContact CD2-CB 4.41Å; L249-Q254 PolarHBondContact O-N 2.9Å; L249-V256 HydrophobicContact CD1-CG2 3.7Å
250K97.1Very high97.7Very high168 Ų16851.8 Ų51.873%0.7326%0.255SS*.Hα-helixtrans-61.7-40.2176.2-174.9179179.6-179.70112.1K246 D247 K252 G253K246-K250 VanDerWaalsContact O-CB 3.27Å; K246-K250 WeakPolarHBondContact O-CB 3.41Å; K246-K250 PolarHBondContact O-N 3.37Å; D247-K250 PolarHBondContact O-N 3.42Å; K250-K252 PolarHBondContact O-N 2.89Å; K250-K252 VanDerWaalsContact O-N 3.16Å; K250-G253 PolarHBondContact O-N 3.19Å
251E96.3Very high97.7Very high148 Ų14849.8 Ų49.869%0.69225%0.245SC*.THydrogen-bonded Turntrans-56.2-27.1171.7-73.2169.3-175.100113D247 L249D247-E251 WeakPolarHBondContact O-CG 3.33Å; D247-E251 PolarHBondContact O-N 3.13Å; D247-E251 VanDerWaalsContact O-N 3.08Å; L249-E251 VanDerWaalsContact C-N 3.33Å; L249-E251 PolarHBondContact O-N 3.29Å
252K94.2Very high97.7Very high109 Ų10950.1 Ų50.147%0.47425%0.247SC..THydrogen-bonded Turntrans-97.64.7177.7-61.7178.8180-177.20113.6L249 K250 Q254L249-K252 CarbonylContact O-C 2.97Å; L249-K252 WeakPolarHBondContact O-CA 3.43Å; L249-K252 WeakPolarHBondContact O-CB 3.46Å; L249-K252 PolarHBondContact O-N 3.11Å; K250-K252 PolarHBondContact O-N 2.89Å; K250-K252 VanDerWaalsContact O-N 3.16Å; K252-Q254 VanDerWaalsContact C-N 3.27Å; K252-Q254 HydrophobicContact CB-CG 4.31Å; K252-Q254 PolarHBondContact O-N 3.44Å
253G95.3Very high97.7Very high75 Ų7551.6 Ų51.677%0.77325%0.254SS*.THydrogen-bonded Turntrans68.123.4-17600000114.1L249 K250L249-G253 PolarHBondContact O-N 3.35Å; K250-G253 PolarHBondContact O-N 3.19Å
254Q95.1Very high97.7Very high68 Ų6849 Ų4932%0.31825%0.248SC..  trans-107.8144.9178.5-60.2-177.8-70.800110.6L249 K252L249-Q254 CarbonylContact C-O 3.59Å; L249-Q254 VanDerWaalsContact C-O 3.24Å; L249-Q254 HydrophobicContact CB-CB 4.23Å; L249-Q254 WeakPolarHBondContact CB-O 3.1Å; L249-Q254 HydrophobicContact CD2-CB 4.41Å; L249-Q254 PolarHBondContact O-N 2.9Å; K252-Q254 VanDerWaalsContact C-N 3.27Å; K252-Q254 HydrophobicContact CB-CG 4.31Å; K252-Q254 PolarHBondContact O-N 3.44Å
255D94.6Very high97.6Very high105 Ų10546.6 Ų46.656%0.56124%0.239SC*.  trans-141.9117.5174.4177.635.1000109.7R25R25-D255 PolarHBondContact NH2-O 3.17Å
256V97.9Very high97.6Very high12 Ų1251.4 Ų51.47%0.07326%0.261CS..  trans-129.8137179-56.30000109.7V208 Q213 L215 L249V208-V256 HydrophobicContact CG1-CG1 3.89Å; V208-V256 HydrophobicContact CG2-CG1 4.34Å; V208-V256 HydrophobicContact CG2-CG2 3.73Å; Q213-V256 WeakPolarHBondContact O-CB 3.19Å; L215-V256 HydrophobicContact CD1-CG2 4.05Å; L215-V256 HydrophobicContact CG-CG2 4.14Å; L249-V256 HydrophobicContact CD1-CG2 3.7Å
257P98.6Very high97.6Very high2 Ų251 Ų511%0.01326%0.259CS..  trans-65.1139.6176.426.7-34000110.8L21 A24 Q213 A214 L215 E278L21-P257 HydrophobicContact CD2-CG 3.9Å; A24-P257 HydrophobicContact CB-CB 3.73Å; A24-P257 HydrophobicContact CB-CG 3.9Å; Q213-P257 WeakPolarHBondContact O-CD 3.27Å; A214-P257 WeakPolarHBondContact CA-O 3.43Å; A214-P257 HydrophobicContact CB-CG 3.94Å; L215-P257 PolarHBondContact N-O 3.08Å; P257-E278 HydrophobicContact CB-CB 4.05Å; P257-E278 HydrophobicContact CB-CG 4.02Å
258M98.9Very high97.6Very high1 Ų147.6 Ų47.61%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-108.9139.7173.9-61.6-173.566.500110.9L204 L215 V217 I241 A242 V245 K246 Y277 E278 V279L204-M258 HydrophobicContact CD1-CE 4.18Å; L215-M258 HydrophobicContact CB-CG 4.32Å; L215-M258 HydrophobicContact CD1-CE 4.5Å; L215-M258 HydrophobicContact CD1-CG 4.47Å; L215-M258 CarbonylContact O-C 3.53Å; L215-M258 WeakPolarHBondContact O-CA 3.16Å; V217-M258 HydrophobicContact CG2-CE 4.39Å; I241-M258 HydrophobicContact CG2-CE 4.36Å; A242-M258 HydrophobicContact CB-CE 4.45Å; A242-M258 HydrophobicContact CB-SD 4.38Å; V245-M258 HydrophobicContact CB-CE 4.18Å; V245-M258 HydrophobicContact CB-SD 4.01Å; V245-M258 HydrophobicContact CG1-CE 4.19Å; V245-M258 HydrophobicContact CG1-SD 3.84Å; V245-M258 HydrophobicContact CG2-CE 4.41Å; K246-M258 HydrophobicContact CG-SD 4.17Å; M258-Y277 HydrophobicContact CB-CD1 3.61Å; M258-Y277 HydrophobicContact CB-CE1 4.1Å; M258-Y277 HydrophobicContact CB-CG 4.48Å; M258-Y277 HydrophobicContact CE-CE1 4.04Å; M258-E278 PolarHBondContact N-OE2 2.91Å; M258-E278 PolarHBondContact O-N 3.21Å; M258-V279 PolarHBondContact O-N 3.38Å
259I99Very high97.6Very high0 Ų044.2 Ų44.20%023%0.228CC..EExtended strand (participates in β ladder)trans-115.8131.7179.9-51.8158.3000108.7F20 L215 Q216 V217 Y277 V279F20-I259 HydrophobicContact CE2-CD1 4.49Å; F20-I259 HydrophobicContact CZ-CD1 3.87Å; L215-I259 PolarHBondContact O-N 3.31Å; Q216-I259 CarbonylContact C-O 3.55Å; Q216-I259 WeakPolarHBondContact CA-O 3.43Å; Q216-I259 HydrophobicContact CB-CB 4.13Å; Q216-I259 HydrophobicContact CB-CD1 4.38Å; Q216-I259 HydrophobicContact CG-CB 4.01Å; Q216-I259 HydrophobicContact CG-CG2 4.07Å; V217-I259 PolarHBondContact N-O 3.13Å; I259-Y277 VanDerWaalsContact C-CD1 3.43Å; I259-V279 WeakPolarHBondContact CA-O 3.47Å; I259-V279 HydrophobicContact CB-CB 4.16Å; I259-V279 HydrophobicContact CG1-CB 3.77Å; I259-V279 HydrophobicContact CG1-CG1 4.3Å; I259-V279 HydrophobicContact CG1-CG2 3.96Å; I259-V279 HydrophobicContact CG2-CB 4.01Å; I259-V279 HydrophobicContact CG2-CG1 4.03Å
260V98.9Very high97.6Very high0 Ų047.6 Ų47.60%024%0.244CC..EExtended strand (participates in β ladder)trans-107.3127.3167.761.80000109.5L238 L272 Y277 V279 V280 S281L238-V260 HydrophobicContact CD1-CG2 4.18Å; L238-V260 HydrophobicContact CD2-CG2 4.2Å; V260-L272 HydrophobicContact CG1-CD2 4.12Å; V260-L272 HydrophobicContact CG2-CD2 3.97Å; V260-Y277 HydrophobicContact CB-CD1 3.71Å; V260-Y277 HydrophobicContact CB-CD2 3.9Å; V260-Y277 HydrophobicContact CB-CE1 3.88Å; V260-Y277 HydrophobicContact CB-CE2 4.04Å; V260-Y277 HydrophobicContact CB-CG 3.72Å; V260-Y277 HydrophobicContact CG1-CD1 4.27Å; V260-Y277 HydrophobicContact CG1-CD2 3.98Å; V260-Y277 HydrophobicContact CG1-CG 3.81Å; V260-Y277 HydrophobicContact CG2-CE2 4.42Å; V260-V279 PolarHBondContact N-O 3.35Å; V260-V280 HydrophobicContact CG1-CG2 4.01Å; V260-S281 PolarHBondContact O-N 3.25Å
261F98.9Very high97.6Very high1 Ų141.3 Ų41.30%0.00422%0.217CC..EExtended strand (participates in β ladder)trans-115.8104.1172.5175.2-117.2000109.2M37 V217 F218 E219 K263 S281 G338 H339M37-F261 HydrophobicContact CE-CE2 4.15Å; M37-F261 HydrophobicContact CE-CZ 4.12Å; M37-F261 HydrophobicContact SD-CD1 4.21Å; M37-F261 HydrophobicContact SD-CE1 4.09Å; M37-F261 HydrophobicContact SD-CG 4.48Å; M37-F261 HydrophobicContact SD-CZ 4.29Å; V217-F261 PolarHBondContact O-N 3.25Å; F218-F261 AromaticContact CD1-CD1 3.72Å; F218-F261 HydrophobicContact CD1-CD1 3.72Å; F218-F261 HydrophobicContact CD1-CE1 4.47Å; F218-F261 HydrophobicContact CE1-CD1 4.25Å; E219-F261 CarbonylContact C-O 3.47Å; E219-F261 WeakPolarHBondContact CA-O 3.46Å; E219-F261 PolarHBondContact N-O 3.14Å; F261-K263 HydrophobicContact CE1-CB 3.87Å; F261-K263 HydrophobicContact CE1-CG 4.41Å; F261-K263 HydrophobicContact CE2-CB 4.47Å; F261-K263 HydrophobicContact CZ-CB 3.76Å; F261-K263 HydrophobicContact CZ-CG 3.98Å; F261-S281 WeakPolarHBondContact CD2-O 3.39Å; F261-G338 WeakPolarHBondContact CZ-O 3.47Å; F261-H339 AromaticContact CZ-CD2 3.93Å
262A98.7Very high97.7Very high6 Ų634.5 Ų34.55%0.0519%0.185CC..EExtended strand (participates in β ladder)trans-108.394.7176.800000109.4E219 A222 A265 L272E219-A262 HydrophobicContact CB-CB 4.22Å; E219-A262 WeakPolarHBondContact O-CA 3.43Å; A222-A262 HydrophobicContact CB-CB 3.93Å; A262-A265 HydrophobicContact CB-CB 3.56Å; A262-A265 VanDerWaalsContact O-CB 3.29Å; A262-A265 WeakPolarHBondContact O-CB 3.21Å; A262-A265 PolarHBondContact O-N 2.97Å; A262-L272 HydrophobicContact CB-CD1 3.67Å
263K98.8Very high97.9Very high32 Ų3229.7 Ų29.714%0.13917%0.166CC..THydrogen-bonded Turntrans-67.6134.6-175.1-169.1-158.9-179.8-66.90110.7E219 A222 G223 F261 A265 D283 H339E219-K263 PolarHBondContact O-N 3.15Å; A222-K263 WeakPolarHBondContact CB-O 3.28Å; G223-K263 PolarHBondContact N-O 2.85Å; F261-K263 HydrophobicContact CE1-CB 3.87Å; F261-K263 HydrophobicContact CE1-CG 4.41Å; F261-K263 HydrophobicContact CE2-CB 4.47Å; F261-K263 HydrophobicContact CZ-CB 3.76Å; F261-K263 HydrophobicContact CZ-CG 3.98Å; K263-A265 PolarHBondContact O-N 3.5Å; K263-D283 HydrophobicContact CG-CB 4.32Å; K263-H339 VanDerWaalsContact CD-CD2 3.42Å; K263-H339 WeakPolarHBondContact CD-CD2 3.4Å; K263-H339 VanDerWaalsContact CE-CD2 3.4Å; K263-H339 WeakPolarHBondContact CE-CD2 3.48Å
264D98.6Very high98Very high54 Ų5431.1 Ų31.129%0.28915%0.152SC..THydrogen-bonded Turntrans63.117.4179.6-51.9-34.3000112.6G223 H266 D283G223-D264 WeakPolarHBondContact CA-O 3.42Å; D264-H266 VanDerWaalsContact C-N 3.32Å; D264-H266 PolarHBondContact O-N 3.09Å; D264-D283 VanDerWaalsContact CA-OD2 3.31Å; D264-D283 WeakPolarHBondContact CA-OD2 3.49Å; D264-D283 PolarHBondContact N-OD2 2.98Å
265A97.4Very high98.1Very high3 Ų327.9 Ų27.93%0.02514%0.137CC..  trans-96.238-177.800000112.7A222 A262 K263 Y267 A268A222-A265 HydrophobicContact CB-CB 3.63Å; A262-A265 HydrophobicContact CB-CB 3.56Å; A262-A265 VanDerWaalsContact O-CB 3.29Å; A262-A265 WeakPolarHBondContact O-CB 3.21Å; A262-A265 PolarHBondContact O-N 2.97Å; K263-A265 PolarHBondContact O-N 3.5Å; A265-Y267 PolarHBondContact O-N 3.02Å; A265-A268 HydrophobicContact CB-CB 4.41Å; A265-A268 PolarHBondContact O-N 3.1Å
266H97.9Very high98.2Very high100 Ų10028 Ų2846%0.46313%0.134SC..G310 helixtrans-54.1-27.4-178.263.877.8000112.8D264 A268 I286 R294D264-H266 VanDerWaalsContact C-N 3.32Å; D264-H266 PolarHBondContact O-N 3.09Å; H266-A268 VanDerWaalsContact C-N 3.3Å; H266-A268 PolarHBondContact O-N 3.49Å; H266-I286 HydrophobicContact CB-CD1 4.06Å; H266-I286 HydrophobicContact CB-CG1 3.91Å; H266-R294 VanDerWaalsContact O-CZ 3.26Å; H266-R294 PolarHBondContact O-NH1 2.63Å; H266-R294 PolarHBondContact O-NH2 3.44Å
267Y98.1Very high98.3Very high39 Ų3927.8 Ų27.815%0.15313%0.132CC..G310 helixtrans-73.3-15.6178.859.3-103.8000114.3A222 L225 P227 F230 A265A222-Y267 PolarHBondContact O-OH 3.42Å; L225-Y267 WeakPolarHBondContact O-CE1 3.19Å; L225-Y267 PolarHBondContact O-OH 3.35Å; P227-Y267 HydrophobicContact CB-CD2 4.04Å; P227-Y267 HydrophobicContact CG-CD2 3.88Å; P227-Y267 HydrophobicContact CG-CG 3.91Å; F230-Y267 HydrophobicContact CB-CE2 3.64Å; F230-Y267 HydrophobicContact CD1-CE2 4.09Å; F230-Y267 HydrophobicContact CD2-CE2 4.24Å; F230-Y267 AromaticContact CG-CE2 3.73Å; F230-Y267 HydrophobicContact CG-CE2 3.73Å; A265-Y267 PolarHBondContact O-N 3.02Å
268A98.2Very high98.3Very high0 Ų030.1 Ų30.10%014%0.143CC..G310 helixtrans-108.45.4-174.100000113.5F230 A265 H266 E270 E271 L272F230-A268 HydrophobicContact CD1-CB 3.73Å; F230-A268 HydrophobicContact CE1-CB 3.42Å; F230-A268 VanDerWaalsContact CE1-CB 3.42Å; F230-A268 HydrophobicContact CZ-CB 4.01Å; A265-A268 HydrophobicContact CB-CB 4.41Å; A265-A268 PolarHBondContact O-N 3.1Å; H266-A268 VanDerWaalsContact C-N 3.3Å; H266-A268 PolarHBondContact O-N 3.49Å; A268-E270 PolarHBondContact O-N 3.37Å; A268-E271 PolarHBondContact O-N 2.92Å; A268-E271 VanDerWaalsContact O-N 3.12Å; A268-L272 HydrophobicContact CB-CD1 4.09Å; A268-L272 HydrophobicContact CB-CG 4.29Å; A268-L272 WeakPolarHBondContact O-CB 3.37Å; A268-L272 WeakPolarHBondContact O-CG 3.48Å; A268-L272 PolarHBondContact O-N 3.21Å
269L98.1Very high98.3Very high2 Ų230.1 Ų30.11%0.0114%0.143CC..Hα-helixtrans-57.1-43.6-170-178.655.5000113.4L272 S273 V280 L282 I286 A291 R294 T295L269-L272 PolarHBondContact O-N 3.36Å; L269-S273 PolarHBondContact O-N 2.87Å; L269-V280 HydrophobicContact CD1-CG1 3.77Å; L269-L282 HydrophobicContact CD1-CD2 3.59Å; L269-I286 HydrophobicContact CD2-CG2 4.29Å; L269-A291 HydrophobicContact CD2-CB 3.87Å; L269-R294 HydrophobicContact CD2-CB 4.22Å; L269-T295 HydrophobicContact CD1-CG2 3.68Å; L269-T295 HydrophobicContact CD2-CG2 4.27Å; L269-T295 HydrophobicContact CG-CG2 3.74Å
270E98.4Very high98.3Very high74 Ų7430.2 Ų30.235%0.34614%0.143SC..Hα-helixtrans-62.3-47.5177-65.484.5169.500110.8A268 L272 S273 E274 R294A268-E270 PolarHBondContact O-N 3.37Å; E270-L272 VanDerWaalsContact C-N 3.31Å; E270-L272 PolarHBondContact O-N 3.4Å; E270-S273 WeakPolarHBondContact O-CB 3.31Å; E270-S273 PolarHBondContact O-N 3.16Å; E270-S273 VanDerWaalsContact O-N 3.13Å; E270-S273 PolarHBondContact O-OG 3.16Å; E270-E274 PolarHBondContact O-N 3.4Å; E270-R294 VanDerWaalsContact CD-NH2 3.32Å; E270-R294 HydrophobicContact CG-CB 4.3Å; E270-R294 IonicContact OE1-CZ 3.5Å; E270-R294 IonicContact OE1-NE 3.57Å; E270-R294 PolarHBondContact OE1-NE 2.89Å; E270-R294 IonicContact OE1-NH2 2.69Å; E270-R294 PolarHBondContact OE1-NH2 2.85Å; E270-R294 IonicContact OE2-CZ 2.87Å; E270-R294 IonicContact OE2-NE 3.2Å; E270-R294 IonicContact OE2-NH2 3.38Å; E270-R294 PolarHBondContact OE2-NH2 3.29Å
271E98.4Very high98.3Very high37 Ų3730.3 Ų30.317%0.17314%0.144CC..Hα-helixtrans-67.8-33.3-177.8-65.21788600112.4R231 L235 R239 A268 E274 S275R231-E271 WeakPolarHBondContact CD-OE1 3.17Å; R231-E271 VanDerWaalsContact CG-OE1 3.31Å; R231-E271 WeakPolarHBondContact CG-OE1 3.44Å; R231-E271 IonicContact CZ-OE1 3.37Å; R231-E271 IonicContact CZ-OE2 3.77Å; R231-E271 VanDerWaalsContact CZ-OE2 3.25Å; R231-E271 IonicContact NE-OE1 3.88Å; R231-E271 PolarHBondContact NE-OE1 3.41Å; R231-E271 IonicContact NE-OE2 2.86Å; R231-E271 PolarHBondContact NE-OE2 3.07Å; R231-E271 IonicContact NH2-OE2 3.81Å; R231-E271 PolarHBondContact NH2-OE2 3.27Å; L235-E271 HydrophobicContact CD2-CB 3.78Å; L235-E271 HydrophobicContact CD2-CG 4.39Å; L235-E271 WeakPolarHBondContact CD2-OE1 3.37Å; R239-E271 PolarHBondContact NH2-O 2.83Å; A268-E271 PolarHBondContact O-N 2.92Å; A268-E271 VanDerWaalsContact O-N 3.12Å; E271-E274 CarbonylContact O-C 3.52Å; E271-E274 PolarHBondContact O-N 2.78Å; E271-S275 PolarHBondContact O-N 3.06Å
272L98.6Very high98.3Very high4 Ų430.4 Ų30.42%0.02114%0.144CC..Hα-helixtrans-69.5-34.8172.3-73.1169.4000111.7F230 L235 L238 V260 A262 A268 L269 E270 E274 S275 V280F230-L272 HydrophobicContact CZ-CD2 4.2Å; L235-L272 HydrophobicContact CD1-CD2 4.3Å; L238-L272 HydrophobicContact CD1-CD2 4.11Å; V260-L272 HydrophobicContact CG1-CD2 4.12Å; V260-L272 HydrophobicContact CG2-CD2 3.97Å; A262-L272 HydrophobicContact CB-CD1 3.67Å; A268-L272 HydrophobicContact CB-CD1 4.09Å; A268-L272 HydrophobicContact CB-CG 4.29Å; A268-L272 WeakPolarHBondContact O-CB 3.37Å; A268-L272 WeakPolarHBondContact O-CG 3.48Å; A268-L272 PolarHBondContact O-N 3.21Å; L269-L272 PolarHBondContact O-N 3.36Å; E270-L272 VanDerWaalsContact C-N 3.31Å; E270-L272 PolarHBondContact O-N 3.4Å; L272-E274 PolarHBondContact O-N 3.04Å; L272-E274 VanDerWaalsContact O-N 3.13Å; L272-S275 WeakPolarHBondContact O-CB 3.32Å; L272-S275 PolarHBondContact O-N 3.01Å; L272-S275 VanDerWaalsContact O-N 3.08Å; L272-S275 PolarHBondContact O-OG 3.14Å; L272-V280 HydrophobicContact CB-CG1 4.34Å; L272-V280 HydrophobicContact CB-CG2 4.16Å
273S98.2Very high98.3Very high9 Ų930.1 Ų30.16%0.06314%0.142CC..Hα-helixtrans-65.1-13.7172.779.30000113.5L269 E270 V299L269-S273 PolarHBondContact O-N 2.87Å; E270-S273 WeakPolarHBondContact O-CB 3.31Å; E270-S273 PolarHBondContact O-N 3.16Å; E270-S273 VanDerWaalsContact O-N 3.13Å; E270-S273 PolarHBondContact O-OG 3.16Å; S273-V299 VanDerWaalsContact O-CG1 3.31Å; S273-V299 WeakPolarHBondContact O-CG1 3.4Å
274E97.5Very high98.3Very high105 Ų10532.7 Ų32.749%0.49115%0.151SC..THydrogen-bonded Turntrans-111.215.1177.2-59.4-176.2168.300112.1E270 E271 L272 H276 K298E270-E274 PolarHBondContact O-N 3.4Å; E271-E274 CarbonylContact O-C 3.52Å; E271-E274 PolarHBondContact O-N 2.78Å; L272-E274 PolarHBondContact O-N 3.04Å; L272-E274 VanDerWaalsContact O-N 3.13Å; E274-H276 VanDerWaalsContact C-N 3.34Å; E274-H276 PolarHBondContact O-N 3.4Å; E274-K298 IonicContact OE1-NZ 2.69Å; E274-K298 PolarHBondContact OE1-NZ 2.95Å
275S97.1Very high98.3Very high0 Ų034 Ų340%016%0.161CC..SBendtrans-92.116.1-172.366.10000115.2E271 L272 Y277E271-S275 PolarHBondContact O-N 3.06Å; L272-S275 WeakPolarHBondContact O-CB 3.32Å; L272-S275 PolarHBondContact O-N 3.01Å; L272-S275 VanDerWaalsContact O-N 3.08Å; L272-S275 PolarHBondContact O-OG 3.14Å; S275-Y277 VanDerWaalsContact O-CD2 3.26Å; S275-Y277 WeakPolarHBondContact O-CD2 3.01Å; S275-Y277 PolarHBondContact O-N 3.36Å; S275-Y277 VanDerWaalsContact OG-CD2 3.23Å; S275-Y277 WeakPolarHBondContact OG-CD2 3.32Å
276H96.6Very high98.3Very high108 Ų10834.5 Ų34.550%0.516%0.163SC..SBendtrans65.215.1-174.7-49.4-72.3000115.1A242 K246 E274A242-H276 HydrophobicContact CB-CB 4.02Å; K246-H276 WeakPolarHBondContact CE-O 3.39Å; K246-H276 PolarHBondContact NZ-O 3.35Å; E274-H276 VanDerWaalsContact C-N 3.34Å; E274-H276 PolarHBondContact O-N 3.4Å
277Y98.8Very high98.4Very high6 Ų633.9 Ų33.92%0.02416%0.163CC..  trans-91.8141.6169.8-69.5-100.1000109.7V217 L238 A242 M258 I259 V260 S275 V279 V299V217-Y277 HydrophobicContact CB-CE1 4.05Å; V217-Y277 HydrophobicContact CG2-CE1 3.8Å; L238-Y277 HydrophobicContact CB-CE2 4.24Å; L238-Y277 WeakPolarHBondContact O-CE2 3.31Å; L238-Y277 PolarHBondContact O-OH 3.29Å; A242-Y277 HydrophobicContact CB-CD2 3.83Å; A242-Y277 HydrophobicContact CB-CE1 4.28Å; A242-Y277 HydrophobicContact CB-CE2 3.55Å; A242-Y277 HydrophobicContact CB-CG 4.36Å; M258-Y277 HydrophobicContact CB-CD1 3.61Å; M258-Y277 HydrophobicContact CB-CE1 4.1Å; M258-Y277 HydrophobicContact CB-CG 4.48Å; M258-Y277 HydrophobicContact CE-CE1 4.04Å; I259-Y277 VanDerWaalsContact C-CD1 3.43Å; V260-Y277 HydrophobicContact CB-CD1 3.71Å; V260-Y277 HydrophobicContact CB-CD2 3.9Å; V260-Y277 HydrophobicContact CB-CE1 3.88Å; V260-Y277 HydrophobicContact CB-CE2 4.04Å; V260-Y277 HydrophobicContact CB-CG 3.72Å; V260-Y277 HydrophobicContact CG1-CD1 4.27Å; V260-Y277 HydrophobicContact CG1-CD2 3.98Å; V260-Y277 HydrophobicContact CG1-CG 3.81Å; V260-Y277 HydrophobicContact CG2-CE2 4.42Å; S275-Y277 VanDerWaalsContact O-CD2 3.26Å; S275-Y277 WeakPolarHBondContact O-CD2 3.01Å; S275-Y277 PolarHBondContact O-N 3.36Å; S275-Y277 VanDerWaalsContact OG-CD2 3.23Å; S275-Y277 WeakPolarHBondContact OG-CD2 3.32Å; Y277-V279 VanDerWaalsContact C-N 3.27Å; Y277-V299 WeakPolarHBondContact O-CG1 3.35Å
278E98.8Very high98.4Very high52 Ų5232.9 Ų32.924%0.24316%0.161CC..SBendtrans-66.8-32.8173.4-81.763.7-136.200111.8K246 P257 M258 S300K246-E278 WeakPolarHBondContact CE-OE2 3.48Å; K246-E278 IonicContact NZ-OE1 3.51Å; K246-E278 PolarHBondContact NZ-OE1 2.93Å; K246-E278 IonicContact NZ-OE2 3.68Å; K246-E278 PolarHBondContact NZ-OE2 2.84Å; P257-E278 HydrophobicContact CB-CB 4.05Å; P257-E278 HydrophobicContact CB-CG 4.02Å; M258-E278 PolarHBondContact N-OE2 2.91Å; M258-E278 PolarHBondContact O-N 3.21Å; E278-S300 PolarHBondContact O-N 3.31Å
279V98.9Very high98.4Very high0 Ų040.5 Ų40.50%019%0.19CC..EExtended strand (participates in β ladder)trans-130.4132.3-172.1-1700000110.9A24 M258 I259 V260 Y277 S300 Q302 I334A24-V279 HydrophobicContact CB-CG2 3.77Å; M258-V279 PolarHBondContact O-N 3.38Å; I259-V279 WeakPolarHBondContact CA-O 3.47Å; I259-V279 HydrophobicContact CB-CB 4.16Å; I259-V279 HydrophobicContact CG1-CB 3.77Å; I259-V279 HydrophobicContact CG1-CG1 4.3Å; I259-V279 HydrophobicContact CG1-CG2 3.96Å; I259-V279 HydrophobicContact CG2-CB 4.01Å; I259-V279 HydrophobicContact CG2-CG1 4.03Å; V260-V279 PolarHBondContact N-O 3.35Å; Y277-V279 VanDerWaalsContact C-N 3.27Å; V279-S300 VanDerWaalsContact CA-O 3.29Å; V279-S300 WeakPolarHBondContact CA-O 3.5Å; V279-Q302 HydrophobicContact CG1-CB 3.62Å; V279-I334 HydrophobicContact CG1-CD1 4.35Å; V279-I334 HydrophobicContact CG2-CD1 4.22Å
280V98.9Very high98.4Very high2 Ų242.5 Ų42.51%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-105.1115.6166.5179.50000108.7V260 L269 L272 L282 V299 S300 L301 Q302V260-V280 HydrophobicContact CG1-CG2 4.01Å; L269-V280 HydrophobicContact CD1-CG1 3.77Å; L272-V280 HydrophobicContact CB-CG1 4.34Å; L272-V280 HydrophobicContact CB-CG2 4.16Å; V280-L282 HydrophobicContact CG1-CD2 3.97Å; V280-V299 HydrophobicContact CB-CG2 4.33Å; V280-V299 HydrophobicContact CG2-CB 4.47Å; V280-V299 HydrophobicContact CG2-CG2 3.87Å; V280-S300 PolarHBondContact N-O 3.19Å; V280-L301 HydrophobicContact CB-CD2 4.33Å; V280-L301 WeakPolarHBondContact O-CA 3.32Å; V280-Q302 PolarHBondContact O-N 3.01Å
281S98.9Very high98.4Very high2 Ų239 Ų391%0.01419%0.187CC..EExtended strand (participates in β ladder)trans-88.4134.3176.2-168.80000110.1V260 F261 Q302V260-S281 PolarHBondContact O-N 3.25Å; F261-S281 WeakPolarHBondContact CD2-O 3.39Å; S281-Q302 CarbonylContact C-O 3.52Å; S281-Q302 WeakPolarHBondContact CA-O 3.47Å; S281-Q302 PolarHBondContact OG-NE2 3.12Å
282L98.9Very high98.4Very high3 Ų339.5 Ų39.52%0.01619%0.188CC..  trans-112.2144.4-170-53.5174.4000110.7L269 V280 I286 A291 L301 Q302 N304 F328 G338L269-L282 HydrophobicContact CD1-CD2 3.59Å; V280-L282 HydrophobicContact CG1-CD2 3.97Å; L282-I286 HydrophobicContact CB-CD1 4.42Å; L282-I286 HydrophobicContact CD2-CD1 4Å; L282-A291 HydrophobicContact CD1-CB 3.58Å; L282-L301 HydrophobicContact CD1-CB 4.39Å; L282-L301 HydrophobicContact CD1-CD1 4.32Å; L282-L301 HydrophobicContact CD1-CD2 4.19Å; L282-Q302 PolarHBondContact N-O 3.48Å; L282-N304 HydrophobicContact CB-CB 3.9Å; L282-N304 WeakPolarHBondContact O-CB 3.26Å; L282-F328 HydrophobicContact CD1-CE1 3.69Å; L282-F328 HydrophobicContact CD1-CZ 3.82Å; L282-G338 WeakPolarHBondContact O-CA 3.32Å
283D98.8Very high98.3Very high0 Ų046.9 Ų46.90%022%0.222CC..  trans-79.2170.2162.667.371.7000111.5K263 D264 T285 N304 G338K263-D283 HydrophobicContact CG-CB 4.32Å; D264-D283 VanDerWaalsContact CA-OD2 3.31Å; D264-D283 WeakPolarHBondContact CA-OD2 3.49Å; D264-D283 PolarHBondContact N-OD2 2.98Å; D283-T285 PolarHBondContact O-N 3.15Å; D283-T285 VanDerWaalsContact OD1-CB 3.3Å; D283-T285 WeakPolarHBondContact OD1-CB 3.34Å; D283-T285 WeakPolarHBondContact OD1-CG2 3.41Å; D283-T285 PolarHBondContact OD1-N 3.14Å; D283-T285 PolarHBondContact OD1-OG1 3.13Å; D283-N304 WeakPolarHBondContact O-CB 3.45Å; D283-N304 PolarHBondContact O-ND2 3.4Å; D283-G338 WeakPolarHBondContact CA-O 3.42Å
284W98.8Very high98.3Very high87 Ų8749.8 Ų49.833%0.3323%0.232SC..THydrogen-bonded Turntrans-75.4-6-171.172.791.9000114.9I286 N304 D306 H339W284-I286 VanDerWaalsContact C-N 3.31Å; W284-N304 WeakPolarHBondContact CA-O 3.46Å; W284-N304 WeakPolarHBondContact CB-O 3.31Å; W284-D306 HydrophobicContact CB-CB 3.85Å; W284-D306 HydrophobicContact CG-CB 3.76Å; W284-H339 HydrophobicContact CE3-CB 4.42Å; W284-H339 HydrophobicContact CZ3-CB 3.98Å
285T98.6Very high98.3Very high80 Ų8044.9 Ų44.949%0.49121%0.209SC..THydrogen-bonded Turntrans-83.2-13.1-178.7730000112.6D283D283-T285 PolarHBondContact O-N 3.15Å; D283-T285 VanDerWaalsContact OD1-CB 3.3Å; D283-T285 WeakPolarHBondContact OD1-CB 3.34Å; D283-T285 WeakPolarHBondContact OD1-CG2 3.41Å; D283-T285 PolarHBondContact OD1-N 3.14Å; D283-T285 PolarHBondContact OD1-OG1 3.13Å
286I98.6Very high98.3Very high14 Ų1447.6 Ų47.67%0.07224%0.237CC..SBendtrans-93.1124.2-177.8-54.8175.5000109.5H266 L269 L282 W284 A291 N304H266-I286 HydrophobicContact CB-CD1 4.06Å; H266-I286 HydrophobicContact CB-CG1 3.91Å; L269-I286 HydrophobicContact CD2-CG2 4.29Å; L282-I286 HydrophobicContact CB-CD1 4.42Å; L282-I286 HydrophobicContact CD2-CD1 4Å; W284-I286 VanDerWaalsContact C-N 3.31Å; I286-A291 HydrophobicContact CG2-CB 3.9Å; I286-N304 PolarHBondContact O-ND2 2.71Å
287D98.4Very high98.1Very high88 Ų8845 Ų4547%0.47124%0.24SC..  trans-64.2130.2173.7173.7-97.4000111.2R289 S290 A291D287-R289 VanDerWaalsContact C-N 3.34Å; D287-R289 PolarHBondContact O-N 2.94Å; D287-R289 WeakPolarHBondContact OD1-CA 3.38Å; D287-R289 WeakPolarHBondContact OD1-CB 3.37Å; D287-R289 PolarHBondContact OD1-N 3.42Å; D287-S290 PolarHBondContact O-N 2.85Å; D287-S290 PolarHBondContact OD1-N 3.44Å; D287-A291 PolarHBondContact O-N 3.09Å
288P98.4Very high97.9Very high17 Ų1751 Ų5111%0.1127%0.266CS..Hα-helixtrans-55.6-40.1-179.6-32.138.5000115.4A291 R292 F328P288-A291 PolarHBondContact O-N 3.27Å; P288-R292 PolarHBondContact O-N 2.93Å; P288-F328 HydrophobicContact CB-CD1 3.89Å; P288-F328 HydrophobicContact CB-CD2 3.59Å; P288-F328 HydrophobicContact CB-CE1 3.86Å; P288-F328 HydrophobicContact CB-CE2 3.59Å; P288-F328 HydrophobicContact CB-CG 3.75Å; P288-F328 HydrophobicContact CB-CZ 3.71Å; P288-F328 HydrophobicContact CG-CD2 3.84Å; P288-F328 HydrophobicContact CG-CE1 4.48Å; P288-F328 HydrophobicContact CG-CE2 3.48Å; P288-F328 VanDerWaalsContact CG-CE2 3.48Å; P288-F328 HydrophobicContact CG-CG 4.5Å; P288-F328 HydrophobicContact CG-CZ 3.83Å
289R98.4Very high97.9Very high161 Ų16149.1 Ų49.161%0.60826%0.258SS*.Hα-helixtrans-72.5-42.4-177.9-63.6177.1179.9148.11.3110.6D287 A291 R292 E293 G327D287-R289 VanDerWaalsContact C-N 3.34Å; D287-R289 PolarHBondContact O-N 2.94Å; D287-R289 WeakPolarHBondContact OD1-CA 3.38Å; D287-R289 WeakPolarHBondContact OD1-CB 3.37Å; D287-R289 PolarHBondContact OD1-N 3.42Å; R289-A291 VanDerWaalsContact C-N 3.3Å; R289-A291 PolarHBondContact O-N 3.12Å; R289-R292 WeakPolarHBondContact O-CB 3.38Å; R289-R292 PolarHBondContact O-N 3.01Å; R289-E293 PolarHBondContact O-N 3.18Å; R289-G327 WeakPolarHBondContact CG-O 3.47Å
290S98.3Very high97.9Very high43 Ų4349.3 Ų49.330%0.30126%0.259SS..Hα-helixtrans-60.3-41.7172.9-175.70000111.3D287 R292 E293 R294D287-S290 PolarHBondContact O-N 2.85Å; D287-S290 PolarHBondContact OD1-N 3.44Å; S290-R292 VanDerWaalsContact C-N 3.33Å; S290-R292 PolarHBondContact O-N 3.42Å; S290-E293 PolarHBondContact O-N 2.9Å; S290-R294 WeakPolarHBondContact O-CB 3.42Å; S290-R294 WeakPolarHBondContact O-CG 3.26Å; S290-R294 PolarHBondContact O-N 3.47Å; S290-R294 WeakPolarHBondContact OG-CD 3.21Å
291A98.4Very high97.9Very high0 Ų049.2 Ų49.20%026%0.258CS..Hα-helixtrans-61.8-41.7177.100000112.3L269 L282 I286 D287 P288 R289 T295 L301L269-A291 HydrophobicContact CD2-CB 3.87Å; L282-A291 HydrophobicContact CD1-CB 3.58Å; I286-A291 HydrophobicContact CG2-CB 3.9Å; D287-A291 PolarHBondContact O-N 3.09Å; P288-A291 PolarHBondContact O-N 3.27Å; R289-A291 VanDerWaalsContact C-N 3.3Å; R289-A291 PolarHBondContact O-N 3.12Å; A291-T295 WeakPolarHBondContact O-CB 3.39Å; A291-T295 WeakPolarHBondContact O-CG2 3.27Å; A291-T295 PolarHBondContact O-N 3.18Å; A291-T295 PolarHBondContact O-OG1 3.29Å; A291-L301 HydrophobicContact CB-CD1 3.91Å
292R97.8Very high97.9Very high48 Ų4849.1 Ų49.118%0.18126%0.258CS..Hα-helixtrans-61.3-46.7174.3-80.6-69.5-178.5-146.3-6.1112.8P288 R289 S290 T295 G296 L301 F328 R331 G332P288-R292 PolarHBondContact O-N 2.93Å; R289-R292 WeakPolarHBondContact O-CB 3.38Å; R289-R292 PolarHBondContact O-N 3.01Å; S290-R292 VanDerWaalsContact C-N 3.33Å; S290-R292 PolarHBondContact O-N 3.42Å; R292-T295 PolarHBondContact O-OG1 3.49Å; R292-G296 PolarHBondContact O-N 3.48Å; R292-G296 VanDerWaalsContact O-N 3.09Å; R292-L301 HydrophobicContact CG-CD1 3.93Å; R292-F328 PolarHBondContact NE-O 2.97Å; R292-R331 PolarHBondContact NH2-O 3.27Å; R292-G332 PolarHBondContact NH1-O 3.09Å; R292-G332 VanDerWaalsContact NH2-C 3.31Å; R292-G332 PolarHBondContact NH2-O 3.24Å
293E97.9Very high97.8Very high160 Ų16049 Ų4975%0.74826%0.257SS*.Hα-helixtrans-60.8-51.2178.6-176.3178.5-171.400111.3R289 S290 T295 G296R289-E293 PolarHBondContact O-N 3.18Å; S290-E293 PolarHBondContact O-N 2.9Å; E293-T295 PolarHBondContact O-N 3.49Å; E293-G296 PolarHBondContact O-N 2.83Å; E293-G296 VanDerWaalsContact O-N 3.15Å
294R98.3Very high97.8Very high70 Ų7049.4 Ų49.426%0.26426%0.26SS..Hα-helixtrans-65.9-35.3-176.1-68.3172.267.8-160.7-2113.2H266 L269 E270 S290H266-R294 VanDerWaalsContact O-CZ 3.26Å; H266-R294 PolarHBondContact O-NH1 2.63Å; H266-R294 PolarHBondContact O-NH2 3.44Å; L269-R294 HydrophobicContact CD2-CB 4.22Å; E270-R294 VanDerWaalsContact CD-NH2 3.32Å; E270-R294 HydrophobicContact CG-CB 4.3Å; E270-R294 IonicContact OE1-CZ 3.5Å; E270-R294 IonicContact OE1-NE 3.57Å; E270-R294 PolarHBondContact OE1-NE 2.89Å; E270-R294 IonicContact OE1-NH2 2.69Å; E270-R294 PolarHBondContact OE1-NH2 2.85Å; E270-R294 IonicContact OE2-CZ 2.87Å; E270-R294 IonicContact OE2-NE 3.2Å; E270-R294 IonicContact OE2-NH2 3.38Å; E270-R294 PolarHBondContact OE2-NH2 3.29Å; S290-R294 WeakPolarHBondContact O-CB 3.42Å; S290-R294 WeakPolarHBondContact O-CG 3.26Å; S290-R294 PolarHBondContact O-N 3.47Å; S290-R294 WeakPolarHBondContact OG-CD 3.21Å
295T97.8Very high97.8Very high1 Ų145.6 Ų45.61%0.00625%0.246CC..Hα-helixtrans-83.5-11.8176.958.70000113.6L269 A291 R292 E293 G297 K298 V299 L301L269-T295 HydrophobicContact CD1-CG2 3.68Å; L269-T295 HydrophobicContact CD2-CG2 4.27Å; L269-T295 HydrophobicContact CG-CG2 3.74Å; A291-T295 WeakPolarHBondContact O-CB 3.39Å; A291-T295 WeakPolarHBondContact O-CG2 3.27Å; A291-T295 PolarHBondContact O-N 3.18Å; A291-T295 PolarHBondContact O-OG1 3.29Å; R292-T295 PolarHBondContact O-OG1 3.49Å; E293-T295 PolarHBondContact O-N 3.49Å; T295-G297 PolarHBondContact O-N 3.3Å; T295-K298 WeakPolarHBondContact O-CB 3.39Å; T295-K298 WeakPolarHBondContact O-CG 3.25Å; T295-K298 PolarHBondContact O-N 2.89Å; T295-K298 VanDerWaalsContact O-N 3.07Å; T295-V299 HydrophobicContact CG2-CG2 4.22Å; T295-L301 HydrophobicContact CG2-CD2 4.01Å
296G95.4Very high97.8Very high58 Ų5844.5 Ų44.560%0.59824%0.236SC*.THydrogen-bonded Turntrans57.522.6177.300000114.5R292 E293 K298R292-G296 PolarHBondContact O-N 3.48Å; R292-G296 VanDerWaalsContact O-N 3.09Å; E293-G296 PolarHBondContact O-N 2.83Å; E293-G296 VanDerWaalsContact O-N 3.15Å; G296-K298 PolarHBondContact O-N 2.66Å
297G92.3Very high97.9Very high53 Ų5343.8 Ų43.855%0.54623%0.233SC..THydrogen-bonded Turntrans66.913.4-175.800000115.4T295 V299T295-G297 PolarHBondContact O-N 3.3Å; G297-V299 PolarHBondContact O-N 3.32Å
298K95Very high97.9Very high132 Ų13242.1 Ų42.157%0.57423%0.227SC*.SBendtrans-67-24.9178.9-65.8175.2-178.1166.80113.4E274 T295 G296E274-K298 IonicContact OE1-NZ 2.69Å; E274-K298 PolarHBondContact OE1-NZ 2.95Å; T295-K298 WeakPolarHBondContact O-CB 3.39Å; T295-K298 WeakPolarHBondContact O-CG 3.25Å; T295-K298 PolarHBondContact O-N 2.89Å; T295-K298 VanDerWaalsContact O-N 3.07Å; G296-K298 PolarHBondContact O-N 2.66Å
299V98.4Very high97.9Very high13 Ų1342 Ų428%0.07923%0.228CC..SBendtrans-134157.6-177.3-65.40000110S273 Y277 V280 T295 G297 L301S273-V299 VanDerWaalsContact O-CG1 3.31Å; S273-V299 WeakPolarHBondContact O-CG1 3.4Å; Y277-V299 WeakPolarHBondContact O-CG1 3.35Å; V280-V299 HydrophobicContact CB-CG2 4.33Å; V280-V299 HydrophobicContact CG2-CB 4.47Å; V280-V299 HydrophobicContact CG2-CG2 3.87Å; T295-V299 HydrophobicContact CG2-CG2 4.22Å; G297-V299 PolarHBondContact O-N 3.32Å; V299-L301 HydrophobicContact CG2-CD2 4.39Å
300S98.8Very high97.9Very high3 Ų334.3 Ų34.32%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-72.8149.6164.2-74.90000110.5A23 A24 G26 E278 V279 V280 G332A23-S300 WeakPolarHBondContact O-CB 3.32Å; A23-S300 PolarHBondContact O-OG 2.94Å; A24-S300 PolarHBondContact O-OG 2.98Å; G26-S300 PolarHBondContact N-OG 3.08Å; E278-S300 PolarHBondContact O-N 3.31Å; V279-S300 VanDerWaalsContact CA-O 3.29Å; V279-S300 WeakPolarHBondContact CA-O 3.5Å; V280-S300 PolarHBondContact N-O 3.19Å; S300-G332 CarbonylContact C-O 3.46Å; S300-G332 WeakPolarHBondContact CA-O 3.23Å; S300-G332 WeakPolarHBondContact CB-O 3.39Å; S300-G332 WeakPolarHBondContact OG-CA 3.37Å; S300-G332 PolarHBondContact OG-O 3.48Å
301L98.9Very high97.9Very high0 Ų037 Ų370%020%0.203CC..EExtended strand (participates in β ladder)trans-106.2143.2175.6-62.8178.2000109.6V280 L282 A291 R292 T295 V299 F328 G332 Y333 I334V280-L301 HydrophobicContact CB-CD2 4.33Å; V280-L301 WeakPolarHBondContact O-CA 3.32Å; L282-L301 HydrophobicContact CD1-CB 4.39Å; L282-L301 HydrophobicContact CD1-CD1 4.32Å; L282-L301 HydrophobicContact CD1-CD2 4.19Å; A291-L301 HydrophobicContact CB-CD1 3.91Å; R292-L301 HydrophobicContact CG-CD1 3.93Å; T295-L301 HydrophobicContact CG2-CD2 4.01Å; V299-L301 HydrophobicContact CG2-CD2 4.39Å; L301-F328 HydrophobicContact CB-CD1 4.15Å; L301-F328 HydrophobicContact CB-CE1 3.98Å; L301-F328 HydrophobicContact CD1-CD1 3.92Å; L301-F328 HydrophobicContact CD1-CE1 3.8Å; L301-G332 PolarHBondContact N-O 3.08Å; L301-Y333 HydrophobicContact CB-CD2 4.44Å; L301-Y333 CarbonylContact O-C 3.58Å; L301-Y333 WeakPolarHBondContact O-CA 3.4Å; L301-Y333 WeakPolarHBondContact O-CD2 3.49Å; L301-I334 PolarHBondContact O-N 2.87Å
302Q98.9Very high97.9Very high0 Ų037.8 Ų37.80%021%0.21CC..EExtended strand (participates in β ladder)trans-124.6145.7173.4176.8-179.3-87.500110.8V279 V280 S281 L282 I334 N336V279-Q302 HydrophobicContact CG1-CB 3.62Å; V280-Q302 PolarHBondContact O-N 3.01Å; S281-Q302 CarbonylContact C-O 3.52Å; S281-Q302 WeakPolarHBondContact CA-O 3.47Å; S281-Q302 PolarHBondContact OG-NE2 3.12Å; L282-Q302 PolarHBondContact N-O 3.48Å; Q302-I334 WeakPolarHBondContact CA-O 3.28Å; Q302-I334 HydrophobicContact CB-CB 4.22Å; Q302-I334 HydrophobicContact CG-CB 4.2Å; Q302-I334 HydrophobicContact CG-CG2 4.18Å; Q302-N336 HydrophobicContact CG-CB 3.85Å
303G98.7Very high98Very high0 Ų039.2 Ų39.20%023%0.225CC..EExtended strand (participates in β ladder)trans122.7-150.8-18000000111Y333 I334 N336G303-Y333 WeakPolarHBondContact O-CE2 3.28Å; G303-Y333 PolarHBondContact O-OH 3.24Å; G303-I334 PolarHBondContact N-O 3.25Å; G303-I334 VanDerWaalsContact N-O 3.09Å; G303-N336 CarbonylContact C-O 3.51Å; G303-N336 WeakPolarHBondContact CA-O 3.39Å; G303-N336 PolarHBondContact O-N 2.98Å; G303-N336 VanDerWaalsContact O-O 3.06Å
304N98.6Very high98Very high10 Ų1035.9 Ų35.95%0.05321%0.208CC..EExtended strand (participates in β ladder)cis-134.626.1-1577.7-29.3000113.2L282 D283 W284 I286 D306 F328 N336L282-N304 HydrophobicContact CB-CB 3.9Å; L282-N304 WeakPolarHBondContact O-CB 3.26Å; D283-N304 WeakPolarHBondContact O-CB 3.45Å; D283-N304 PolarHBondContact O-ND2 3.4Å; W284-N304 WeakPolarHBondContact CA-O 3.46Å; W284-N304 WeakPolarHBondContact CB-O 3.31Å; I286-N304 PolarHBondContact O-ND2 2.71Å; N304-D306 PolarHBondContact O-N 3.47Å; N304-F328 HydrophobicContact CB-CZ 4.3Å; N304-F328 WeakPolarHBondContact OD1-CE2 3.32Å; N304-N336 PolarHBondContact N-O 3.08Å
305M98.8Very high98Very high7 Ų739.2 Ų39.23%0.03423%0.227CC..EExtended strand (participates in β ladder)trans-51.8130.9-177.8-178.6168.5174.800111.4P307 A309 L310 I317 I320 V321 M324 N336 L337 G338 F353M305-P307 WeakPolarHBondContact O-CD 3.33Å; M305-P307 VanDerWaalsContact O-N 3.16Å; M305-A309 HydrophobicContact CE-CB 3.33Å; M305-A309 HydrophobicContact CG-CB 4.13Å; M305-L310 HydrophobicContact CE-CD2 4.32Å; M305-I317 HydrophobicContact CE-CG2 4.17Å; M305-I320 HydrophobicContact CE-CB 4.1Å; M305-I320 HydrophobicContact CE-CD1 4.48Å; M305-I320 HydrophobicContact CE-CG2 3.77Å; M305-I320 HydrophobicContact CG-CG2 4.07Å; M305-I320 HydrophobicContact SD-CG2 4.01Å; M305-V321 HydrophobicContact SD-CG2 3.78Å; M305-M324 HydrophobicContact CB-CE 4.34Å; M305-M324 HydrophobicContact CB-SD 3.68Å; M305-M324 PolarHBondContact N-SD 3.19Å; M305-M324 VanDerWaalsContact N-SD 3.41Å; M305-N336 PolarHBondContact N-O 3.13Å; M305-L337 HydrophobicContact CB-CD2 4.12Å; M305-L337 HydrophobicContact CG-CD2 4.35Å; M305-L337 CarbonylContact O-C 3.57Å; M305-L337 VanDerWaalsContact O-CA 3.26Å; M305-L337 WeakPolarHBondContact O-CA 3.41Å; M305-G338 PolarHBondContact O-N 3.19Å; M305-F353 HydrophobicContact CB-CE2 4.18Å; M305-F353 HydrophobicContact SD-CD2 3.46Å; M305-F353 WeakPolarHBondContact SD-CD2 3.3Å; M305-F353 HydrophobicContact SD-CE2 3.61Å
306D98.8Very high98Very high56 Ų5644.2 Ų44.230%0.29925%0.25SS..  trans-51.8122172.3178.4-0.5000109.2W284 N304 C308 A309W284-D306 HydrophobicContact CB-CB 3.85Å; W284-D306 HydrophobicContact CG-CB 3.76Å; N304-D306 PolarHBondContact O-N 3.47Å; D306-C308 PolarHBondContact O-N 3.03Å; D306-C308 VanDerWaalsContact O-N 3.16Å; D306-C308 WeakPolarHBondContact OD1-CB 3.42Å; D306-C308 PolarHBondContact OD1-N 3.36Å; D306-A309 HydrophobicContact CB-CB 4.41Å; D306-A309 WeakPolarHBondContact O-CB 3.45Å; D306-A309 PolarHBondContact O-N 3.47Å
307P98.8Very high98.2Very high0 Ų041.5 Ų41.50%022%0.222CC..G310 helixtrans-51.8-38.1176.3-2431.2000112.5M305 A309 L310 L337 H339 M345M305-P307 WeakPolarHBondContact O-CD 3.33Å; M305-P307 VanDerWaalsContact O-N 3.16Å; P307-A309 PolarHBondContact O-N 2.67Å; P307-A309 VanDerWaalsContact O-N 3.15Å; P307-L310 VanDerWaalsContact O-CB 3.31Å; P307-L310 WeakPolarHBondContact O-CB 3.49Å; P307-L310 WeakPolarHBondContact O-CG 3.24Å; P307-L310 PolarHBondContact O-N 2.91Å; P307-L337 HydrophobicContact CB-CD1 4.31Å; P307-L337 HydrophobicContact CG-CB 4.24Å; P307-H339 HydrophobicContact CG-CB 3.87Å; P307-M345 HydrophobicContact CB-CE 3.72Å; P307-M345 WeakPolarHBondContact O-CE 3.23Å
308C98.8Very high98.5Very high52 Ų5240.4 Ų40.435%0.35121%0.206SC..G310 helixtrans-63.3-20.4179.5-70.60000113.3D306 L310 Y311D306-C308 PolarHBondContact O-N 3.03Å; D306-C308 VanDerWaalsContact O-N 3.16Å; D306-C308 WeakPolarHBondContact OD1-CB 3.42Å; D306-C308 PolarHBondContact OD1-N 3.36Å; C308-L310 PolarHBondContact O-N 2.98Å; C308-L310 VanDerWaalsContact O-N 3.14Å; C308-Y311 HydrophobicContact CB-CD2 4.13Å; C308-Y311 HydrophobicContact CB-CE2 4.27Å; C308-Y311 WeakPolarHBondContact O-CB 3.4Å; C308-Y311 WeakPolarHBondContact O-CD2 3.42Å; C308-Y311 PolarHBondContact O-N 3.48Å
309A98.8Very high98.7Very high15 Ų1537.9 Ų37.912%0.12420%0.198CC..G310 helixtrans-63.4-17.8174.400000112.5M305 D306 P307 Y311 A312 I320M305-A309 HydrophobicContact CE-CB 3.33Å; M305-A309 HydrophobicContact CG-CB 4.13Å; D306-A309 HydrophobicContact CB-CB 4.41Å; D306-A309 WeakPolarHBondContact O-CB 3.45Å; D306-A309 PolarHBondContact O-N 3.47Å; P307-A309 PolarHBondContact O-N 2.67Å; P307-A309 VanDerWaalsContact O-N 3.15Å; A309-Y311 PolarHBondContact O-N 3.26Å; A309-A312 VanDerWaalsContact O-CB 3.26Å; A309-A312 WeakPolarHBondContact O-CB 3.19Å; A309-A312 PolarHBondContact O-N 3.26Å; A309-A312 VanDerWaalsContact O-N 3.15Å; A309-I320 HydrophobicContact CB-CD1 3.89Å
310L98.8Very high98.7Very high0 Ų039.7 Ų39.70%021%0.207CC..G310 helixtrans-71.7-6.9172.3-62.5177000114.2M305 P307 C308 A312 I317 L337 L341 M345 N349 V350 F353M305-L310 HydrophobicContact CE-CD2 4.32Å; P307-L310 VanDerWaalsContact O-CB 3.31Å; P307-L310 WeakPolarHBondContact O-CB 3.49Å; P307-L310 WeakPolarHBondContact O-CG 3.24Å; P307-L310 PolarHBondContact O-N 2.91Å; C308-L310 PolarHBondContact O-N 2.98Å; C308-L310 VanDerWaalsContact O-N 3.14Å; L310-A312 VanDerWaalsContact C-N 3.29Å; L310-I317 HydrophobicContact CD2-CD1 4.27Å; L310-I317 HydrophobicContact CD2-CG2 4.41Å; L310-L337 HydrophobicContact CD1-CD1 3.78Å; L310-L337 HydrophobicContact CD1-CD2 4.08Å; L310-L337 HydrophobicContact CG-CD2 4.41Å; L310-L341 HydrophobicContact CD1-CD2 3.35Å; L310-M345 HydrophobicContact CB-SD 4.38Å; L310-M345 HydrophobicContact CD1-SD 3.93Å; L310-N349 VanDerWaalsContact O-CB 3.31Å; L310-N349 WeakPolarHBondContact O-CB 3.24Å; L310-N349 PolarHBondContact O-ND2 3.46Å; L310-V350 HydrophobicContact CD1-CG2 4.25Å; L310-F353 HydrophobicContact CD2-CB 3.68Å; L310-F353 HydrophobicContact CD2-CG 4.26Å
311Y98.8Very high98.7Very high100 Ų10039.5 Ų39.539%0.39221%0.206SC..G310 helixtrans-82.3-9.3168.7-60-60.9000112.9C308 A309 D344 M345C308-Y311 HydrophobicContact CB-CD2 4.13Å; C308-Y311 HydrophobicContact CB-CE2 4.27Å; C308-Y311 WeakPolarHBondContact O-CB 3.4Å; C308-Y311 WeakPolarHBondContact O-CD2 3.42Å; C308-Y311 PolarHBondContact O-N 3.48Å; A309-Y311 PolarHBondContact O-N 3.26Å; Y311-D344 PolarHBondContact OH-OD1 2.94Å; Y311-D344 PolarHBondContact OH-OD2 3.07Å; Y311-M345 HydrophobicContact CE1-CG 3.8Å; Y311-M345 HydrophobicContact CE2-CE 4.13Å
312A98.6Very high98.7Very high16 Ų1643 Ų4313%0.13222%0.219CC..SBendtrans-73161.817700000111.7A309 L310 Q316 I317 N349A309-A312 VanDerWaalsContact O-CB 3.26Å; A309-A312 WeakPolarHBondContact O-CB 3.19Å; A309-A312 PolarHBondContact O-N 3.26Å; A309-A312 VanDerWaalsContact O-N 3.15Å; L310-A312 VanDerWaalsContact C-N 3.29Å; A312-Q316 HydrophobicContact CB-CB 3.97Å; A312-Q316 HydrophobicContact CB-CG 3.95Å; A312-I317 HydrophobicContact CB-CG1 4.32Å; A312-I317 WeakPolarHBondContact O-CD1 3.37Å; A312-N349 PolarHBondContact O-ND2 3.3Å
313P98.4Very high98.7Very high77 Ų7749.1 Ų49.150%0.525%0.246SC..  trans-56.8152.3167.9-23.934.8000112.1E315 Q316 I317P313-E315 PolarHBondContact O-N 2.95Å; P313-E315 VanDerWaalsContact O-N 3.17Å; P313-Q316 WeakPolarHBondContact O-CA 3.45Å; P313-Q316 WeakPolarHBondContact O-CB 3.27Å; P313-Q316 PolarHBondContact O-N 2.73Å; P313-I317 PolarHBondContact O-N 2.86Å
314K98.5Very high98.7Very high90 Ų9049.8 Ų49.839%0.39125%0.249SC..Hα-helixtrans-56-36.4-175-67-175.4175.1-1730112.9Q316 I317 S318 E348 A352K314-Q316 VanDerWaalsContact C-N 3.34Å; K314-I317 PolarHBondContact O-N 3.01Å; K314-S318 PolarHBondContact O-N 2.68Å; K314-E348 IonicContact NZ-OE2 2.61Å; K314-E348 PolarHBondContact NZ-OE2 3.18Å; K314-A352 HydrophobicContact CB-CB 4.08Å; K314-A352 HydrophobicContact CD-CB 4.16Å; K314-A352 HydrophobicContact CG-CB 3.84Å
315E97.9Very high98.7Very high140 Ų14049.3 Ų49.365%0.65425%0.246SC*.Hα-helixtrans-63.9-41.7176.9-60.472.1-156.800111.1P313 S318 D319P313-E315 PolarHBondContact O-N 2.95Å; P313-E315 VanDerWaalsContact O-N 3.17Å; E315-S318 WeakPolarHBondContact O-CB 3.21Å; E315-S318 PolarHBondContact O-N 2.72Å; E315-D319 PolarHBondContact O-N 3.31Å
316Q98.6Very high98.6Very high107 Ų10752.9 Ų52.950%0.526%0.263SS..Hα-helixtrans-72-36.1178.2-17416710.500111.9A312 P313 K314 S318 D319 I320A312-Q316 HydrophobicContact CB-CB 3.97Å; A312-Q316 HydrophobicContact CB-CG 3.95Å; P313-Q316 WeakPolarHBondContact O-CA 3.45Å; P313-Q316 WeakPolarHBondContact O-CB 3.27Å; P313-Q316 PolarHBondContact O-N 2.73Å; K314-Q316 VanDerWaalsContact C-N 3.34Å; Q316-S318 VanDerWaalsContact C-N 3.31Å; Q316-S318 PolarHBondContact O-N 2.82Å; Q316-D319 PolarHBondContact O-N 3.44Å; Q316-I320 HydrophobicContact CG-CD1 4.05Å; Q316-I320 WeakPolarHBondContact O-CD1 3.48Å; Q316-I320 VanDerWaalsContact O-CG1 3.22Å; Q316-I320 WeakPolarHBondContact O-CG1 3.19Å; Q316-I320 PolarHBondContact O-N 3.23Å
317I98.9Very high98.6Very high0 Ų050.8 Ų50.80%026%0.255CS..Hα-helixtrans-56.3-48.8170.1-69.2171.9000109.8M305 L310 A312 P313 K314 D319 I320 V321 N349 A352 F353M305-I317 HydrophobicContact CE-CG2 4.17Å; L310-I317 HydrophobicContact CD2-CD1 4.27Å; L310-I317 HydrophobicContact CD2-CG2 4.41Å; A312-I317 HydrophobicContact CB-CG1 4.32Å; A312-I317 WeakPolarHBondContact O-CD1 3.37Å; P313-I317 PolarHBondContact O-N 2.86Å; K314-I317 PolarHBondContact O-N 3.01Å; I317-D319 VanDerWaalsContact C-N 3.35Å; I317-D319 PolarHBondContact O-N 3.04Å; I317-I320 PolarHBondContact O-N 3.38Å; I317-V321 HydrophobicContact CG2-CG2 4.5Å; I317-V321 WeakPolarHBondContact O-CG2 3.26Å; I317-V321 PolarHBondContact O-N 3.15Å; I317-N349 HydrophobicContact CD1-CB 3.61Å; I317-A352 HydrophobicContact CG2-CB 4.42Å; I317-F353 HydrophobicContact CG2-CB 4.06Å
318S98.8Very high98.6Very high31 Ų3151.1 Ų51.122%0.21726%0.256CS..Hα-helixtrans-59.4-43.1179-1720000112.5K314 E315 Q316 V321 R322 H360K314-S318 PolarHBondContact O-N 2.68Å; E315-S318 WeakPolarHBondContact O-CB 3.21Å; E315-S318 PolarHBondContact O-N 2.72Å; Q316-S318 VanDerWaalsContact C-N 3.31Å; Q316-S318 PolarHBondContact O-N 2.82Å; S318-V321 PolarHBondContact O-N 3.36Å; S318-R322 PolarHBondContact O-N 3.18Å; S318-H360 PolarHBondContact O-NE2 2.81Å; S318-H360 PolarHBondContact OG-NE2 2.86Å
319D98.7Very high98.5Very high78 Ų7850 Ų5042%0.41725%0.253SS..Hα-helixtrans-65.9-37.8176.6-94.8-31.1000113.6E315 Q316 I317 R322 K323E315-D319 PolarHBondContact O-N 3.31Å; Q316-D319 PolarHBondContact O-N 3.44Å; I317-D319 VanDerWaalsContact C-N 3.35Å; I317-D319 PolarHBondContact O-N 3.04Å; D319-R322 PolarHBondContact O-N 3.39Å; D319-R322 IonicContact OD1-CZ 2.72Å; D319-R322 IonicContact OD1-NE 2.71Å; D319-R322 IonicContact OD1-NH2 3.79Å; D319-R322 PolarHBondContact OD1-NH2 3.18Å; D319-K323 WeakPolarHBondContact O-CG 3.24Å; D319-K323 PolarHBondContact O-N 2.92Å; D319-K323 VanDerWaalsContact O-N 3.15Å
320I98.8Very high98.3Very high51 Ų5149.3 Ų49.326%0.26225%0.248SC..Hα-helixtrans-65.5-44.9175.5-67.8165.8000109.9M305 A309 Q316 I317 R322 K323 M324M305-I320 HydrophobicContact CE-CB 4.1Å; M305-I320 HydrophobicContact CE-CD1 4.48Å; M305-I320 HydrophobicContact CE-CG2 3.77Å; M305-I320 HydrophobicContact CG-CG2 4.07Å; M305-I320 HydrophobicContact SD-CG2 4.01Å; A309-I320 HydrophobicContact CB-CD1 3.89Å; Q316-I320 HydrophobicContact CG-CD1 4.05Å; Q316-I320 WeakPolarHBondContact O-CD1 3.48Å; Q316-I320 VanDerWaalsContact O-CG1 3.22Å; Q316-I320 WeakPolarHBondContact O-CG1 3.19Å; Q316-I320 PolarHBondContact O-N 3.23Å; I317-I320 PolarHBondContact O-N 3.38Å; I320-R322 PolarHBondContact O-N 3.04Å; I320-K323 PolarHBondContact O-N 2.61Å; I320-M324 WeakPolarHBondContact O-CB 3.5Å; I320-M324 PolarHBondContact O-N 3.09Å
321V98.9Very high98.2Very high0 Ų056.8 Ų56.80%028%0.276CS..Hα-helixtrans-60.2-44.2176.3169.60000111.6M305 I317 S318 K323 M324 L325 F353 A356 V357M305-V321 HydrophobicContact SD-CG2 3.78Å; I317-V321 HydrophobicContact CG2-CG2 4.5Å; I317-V321 WeakPolarHBondContact O-CG2 3.26Å; I317-V321 PolarHBondContact O-N 3.15Å; S318-V321 PolarHBondContact O-N 3.36Å; V321-K323 PolarHBondContact O-N 3.02Å; V321-M324 WeakPolarHBondContact O-CB 3.16Å; V321-M324 PolarHBondContact O-N 3.2Å; V321-L325 HydrophobicContact CG1-CD1 3.83Å; V321-L325 HydrophobicContact CG1-CG 4.43Å; V321-L325 WeakPolarHBondContact O-CG 3.37Å; V321-L325 PolarHBondContact O-N 3.28Å; V321-F353 HydrophobicContact CG2-CD2 3.46Å; V321-F353 VanDerWaalsContact CG2-CD2 3.46Å; V321-F353 HydrophobicContact CG2-CE2 3.86Å; V321-A356 HydrophobicContact CB-CB 3.97Å; V321-A356 HydrophobicContact CG1-CB 3.91Å; V321-A356 HydrophobicContact CG2-CB 4.16Å; V321-V357 HydrophobicContact CG1-CB 4.25Å; V321-V357 HydrophobicContact CG1-CG2 3.57Å; V321-V357 HydrophobicContact CG2-CG2 4.44Å
322R98.7Very high98.1Very high73 Ų7352.2 Ų52.228%0.27526%0.259SS..Hα-helixtrans-56.8-50176.4-176.9-176.157.375.10111.4S318 D319 I320 M324 L325 E326S318-R322 PolarHBondContact O-N 3.18Å; D319-R322 PolarHBondContact O-N 3.39Å; D319-R322 IonicContact OD1-CZ 2.72Å; D319-R322 IonicContact OD1-NE 2.71Å; D319-R322 IonicContact OD1-NH2 3.79Å; D319-R322 PolarHBondContact OD1-NH2 3.18Å; I320-R322 PolarHBondContact O-N 3.04Å; R322-M324 VanDerWaalsContact C-N 3.33Å; R322-M324 PolarHBondContact O-N 2.64Å; R322-L325 PolarHBondContact O-N 3.25Å; R322-E326 WeakPolarHBondContact CG-OE1 3.47Å; R322-E326 IonicContact CZ-OE1 2.71Å; R322-E326 VanDerWaalsContact NH1-CD 3.3Å; R322-E326 IonicContact NH1-OE1 3.47Å; R322-E326 PolarHBondContact NH1-OE1 2.95Å; R322-E326 IonicContact NH1-OE2 3.47Å; R322-E326 PolarHBondContact NH1-OE2 3.37Å; R322-E326 WeakPolarHBondContact O-CG 3.5Å; R322-E326 PolarHBondContact O-N 3.05Å
323K98.5Very high98.1Very high129 Ų12951.5 Ų51.556%0.56125%0.253SS*.Hα-helixtrans-62.6-39.4178.4-70.5172.6-176.7173.30112.3D319 I320 V321 E326 G327D319-K323 WeakPolarHBondContact O-CG 3.24Å; D319-K323 PolarHBondContact O-N 2.92Å; D319-K323 VanDerWaalsContact O-N 3.15Å; I320-K323 PolarHBondContact O-N 2.61Å; V321-K323 PolarHBondContact O-N 3.02Å; K323-E326 PolarHBondContact O-N 3.38Å; K323-G327 PolarHBondContact O-N 3.31Å
324M98.7Very high98.1Very high13 Ų1347.8 Ų47.86%0.06423%0.229CC..Hα-helixtrans-60.9-48175.5-179.1-176.965.200111M305 I320 V321 R322 G327 F328 Y333 A335 F353M305-M324 HydrophobicContact CB-CE 4.34Å; M305-M324 HydrophobicContact CB-SD 3.68Å; M305-M324 PolarHBondContact N-SD 3.19Å; M305-M324 VanDerWaalsContact N-SD 3.41Å; I320-M324 WeakPolarHBondContact O-CB 3.5Å; I320-M324 PolarHBondContact O-N 3.09Å; V321-M324 WeakPolarHBondContact O-CB 3.16Å; V321-M324 PolarHBondContact O-N 3.2Å; R322-M324 VanDerWaalsContact C-N 3.33Å; R322-M324 PolarHBondContact O-N 2.64Å; M324-G327 PolarHBondContact O-N 3.1Å; M324-G327 VanDerWaalsContact O-N 3.13Å; M324-F328 HydrophobicContact CG-CD2 3.85Å; M324-F328 HydrophobicContact CG-CE2 3.89Å; M324-F328 WeakPolarHBondContact O-CD2 3.5Å; M324-F328 PolarHBondContact O-N 3.25Å; M324-Y333 WeakPolarHBondContact CE-OH 3.47Å; M324-Y333 WeakPolarHBondContact CG-OH 3.39Å; M324-Y333 PolarHBondContact SD-OH 3.3Å; M324-A335 HydrophobicContact CE-CB 4.4Å; M324-F353 HydrophobicContact CE-CE2 4.06Å
325L98.6Very high98.1Very high0 Ų043.5 Ų43.50%021%0.211CC..Hα-helixtrans-63.4-40.3177.2-75.1165.5000112.7V32 V321 R322 G327 F328 G329 Y333 H360 L364V32-L325 HydrophobicContact CB-CD2 3.93Å; V32-L325 HydrophobicContact CG1-CD2 4Å; V32-L325 HydrophobicContact CG2-CD2 3.79Å; V321-L325 HydrophobicContact CG1-CD1 3.83Å; V321-L325 HydrophobicContact CG1-CG 4.43Å; V321-L325 WeakPolarHBondContact O-CG 3.37Å; V321-L325 PolarHBondContact O-N 3.28Å; R322-L325 PolarHBondContact O-N 3.25Å; L325-G327 PolarHBondContact O-N 2.87Å; L325-F328 PolarHBondContact O-N 3.44Å; L325-G329 WeakPolarHBondContact O-CA 3.39Å; L325-G329 PolarHBondContact O-N 3.14Å; L325-Y333 HydrophobicContact CD2-CD1 4.08Å; L325-Y333 HydrophobicContact CD2-CE1 3.69Å; L325-H360 HydrophobicContact CD1-CB 3.55Å; L325-L364 HydrophobicContact CB-CD1 3.75Å
326E97.9Very high98.2Very high83 Ų8336.9 Ų36.939%0.38818%0.179SC..Hα-helixtrans-62.3-31.5173.2-73.9168.3-174.600112.4R322 K323R322-E326 WeakPolarHBondContact CG-OE1 3.47Å; R322-E326 IonicContact CZ-OE1 2.71Å; R322-E326 VanDerWaalsContact NH1-CD 3.3Å; R322-E326 IonicContact NH1-OE1 3.47Å; R322-E326 PolarHBondContact NH1-OE1 2.95Å; R322-E326 IonicContact NH1-OE2 3.47Å; R322-E326 PolarHBondContact NH1-OE2 3.37Å; R322-E326 WeakPolarHBondContact O-CG 3.5Å; R322-E326 PolarHBondContact O-N 3.05Å; K323-E326 PolarHBondContact O-N 3.38Å
327G97.9Very high98.2Very high12 Ų1231.8 Ų31.812%0.12416%0.156CC..Hα-helixtrans-73.6-45.7176.600000113.3R289 K323 M324 L325R289-G327 WeakPolarHBondContact CG-O 3.47Å; K323-G327 PolarHBondContact O-N 3.31Å; M324-G327 PolarHBondContact O-N 3.1Å; M324-G327 VanDerWaalsContact O-N 3.13Å; L325-G327 PolarHBondContact O-N 2.87Å
328F98.3Very high98.2Very high7 Ų731.8 Ų31.83%0.03116%0.156CC..Hα-helixtrans-81.6-29.2-178.4-80-68.9000114.5L282 P288 R292 L301 N304 M324 L325 Y333L282-F328 HydrophobicContact CD1-CE1 3.69Å; L282-F328 HydrophobicContact CD1-CZ 3.82Å; P288-F328 HydrophobicContact CB-CD1 3.89Å; P288-F328 HydrophobicContact CB-CD2 3.59Å; P288-F328 HydrophobicContact CB-CE1 3.86Å; P288-F328 HydrophobicContact CB-CE2 3.59Å; P288-F328 HydrophobicContact CB-CG 3.75Å; P288-F328 HydrophobicContact CB-CZ 3.71Å; P288-F328 HydrophobicContact CG-CD2 3.84Å; P288-F328 HydrophobicContact CG-CE1 4.48Å; P288-F328 HydrophobicContact CG-CE2 3.48Å; P288-F328 VanDerWaalsContact CG-CE2 3.48Å; P288-F328 HydrophobicContact CG-CG 4.5Å; P288-F328 HydrophobicContact CG-CZ 3.83Å; R292-F328 PolarHBondContact NE-O 2.97Å; L301-F328 HydrophobicContact CB-CD1 4.15Å; L301-F328 HydrophobicContact CB-CE1 3.98Å; L301-F328 HydrophobicContact CD1-CD1 3.92Å; L301-F328 HydrophobicContact CD1-CE1 3.8Å; N304-F328 HydrophobicContact CB-CZ 4.3Å; N304-F328 WeakPolarHBondContact OD1-CE2 3.32Å; M324-F328 HydrophobicContact CG-CD2 3.85Å; M324-F328 HydrophobicContact CG-CE2 3.89Å; M324-F328 WeakPolarHBondContact O-CD2 3.5Å; M324-F328 PolarHBondContact O-N 3.25Å; L325-F328 PolarHBondContact O-N 3.44Å; F328-Y333 HydrophobicContact CB-CD1 3.81Å; F328-Y333 HydrophobicContact CB-CD2 3.74Å; F328-Y333 HydrophobicContact CB-CE1 3.9Å; F328-Y333 HydrophobicContact CB-CE2 3.83Å; F328-Y333 HydrophobicContact CB-CG 3.74Å; F328-Y333 AromaticContact CD1-CD2 3.79Å; F328-Y333 HydrophobicContact CD1-CD2 3.79Å; F328-Y333 AromaticContact CD1-CE2 3.75Å; F328-Y333 HydrophobicContact CD1-CE2 3.75Å; F328-Y333 AromaticContact CD2-CD2 4Å; F328-Y333 HydrophobicContact CD2-CD2 4Å; F328-Y333 AromaticContact CD2-CE1 3.98Å; F328-Y333 HydrophobicContact CD2-CE1 3.98Å; F328-Y333 AromaticContact CD2-CE2 3.22Å; F328-Y333 HydrophobicContact CD2-CE2 3.22Å; F328-Y333 AromaticContact CD2-CZ 3.21Å; F328-Y333 WeakPolarHBondContact CD2-OH 3.12Å; F328-Y333 HydrophobicContact CE1-CD2 4.4Å; F328-Y333 HydrophobicContact CE1-CE2 4.09Å; F328-Y333 AromaticContact CE2-CE2 3.58Å; F328-Y333 HydrophobicContact CE2-CE2 3.58Å; F328-Y333 AromaticContact CE2-CZ 3.78Å; F328-Y333 WeakPolarHBondContact CE2-OH 3.39Å; F328-Y333 HydrophobicContact CG-CD1 4.37Å; F328-Y333 AromaticContact CG-CD2 3.57Å; F328-Y333 HydrophobicContact CG-CD2 3.57Å; F328-Y333 HydrophobicContact CG-CE1 4.16Å; F328-Y333 AromaticContact CG-CE2 3.31Å; F328-Y333 HydrophobicContact CG-CE2 3.31Å; F328-Y333 HydrophobicContact CG-CG 4.11Å; F328-Y333 AromaticContact CG-CZ 3.62Å; F328-Y333 HydrophobicContact CZ-CE2 4.01Å
329G96.9Very high98.2Very high27 Ų2731.8 Ų31.828%0.27815%0.152SC..  trans72.4-175.5-161.500000112.7L325 Y333L325-G329 WeakPolarHBondContact O-CA 3.39Å; L325-G329 PolarHBondContact O-N 3.14Å; G329-Y333 WeakPolarHBondContact O-CD1 3.47Å
330T95.9Very high98.2Very high2 Ų228.1 Ų28.11%0.01213%0.133CC..SBendtrans-99-25.8-171.858.50000114.1E28 V32 L364 I365 K368E28-T330 PolarHBondContact OE1-OG1 3.38Å; V32-T330 HydrophobicContact CG2-CG2 4.31Å; T330-L364 HydrophobicContact CG2-CB 3.86Å; T330-I365 HydrophobicContact CG2-CD1 4.42Å; T330-I365 HydrophobicContact CG2-CG1 3.72Å; T330-K368 PolarHBondContact OG1-NZ 3.25Å
331R95.6Very high98.2Very high156 Ų15626 Ų2659%0.58912%0.123SC*.THydrogen-bonded Turntrans-88.1138.4-176-167.6174.5170.2178.3-3.8111.5G26 E28 R292 Y333G26-R331 PolarHBondContact O-NE 3.25Å; E28-R331 VanDerWaalsContact OE2-CB 3.25Å; E28-R331 WeakPolarHBondContact OE2-CB 3.46Å; E28-R331 WeakPolarHBondContact OE2-CD 3.3Å; E28-R331 WeakPolarHBondContact OE2-CG 2.96Å; R292-R331 PolarHBondContact NH2-O 3.27Å; R331-Y333 PolarHBondContact O-N 2.92Å
332G96.7Very high98.1Very high5 Ų529.3 Ų29.35%0.05214%0.135CC..THydrogen-bonded Turntrans56.338.3178.600000112.3R292 S300 L301R292-G332 PolarHBondContact NH1-O 3.09Å; R292-G332 VanDerWaalsContact NH2-C 3.31Å; R292-G332 PolarHBondContact NH2-O 3.24Å; S300-G332 CarbonylContact C-O 3.46Å; S300-G332 WeakPolarHBondContact CA-O 3.23Å; S300-G332 WeakPolarHBondContact CB-O 3.39Å; S300-G332 WeakPolarHBondContact OG-CA 3.37Å; S300-G332 PolarHBondContact OG-O 3.48Å; L301-G332 PolarHBondContact N-O 3.08Å
333Y98.8Very high98.1Very high0 Ų028.5 Ų28.50%014%0.14CC..EExtended strand (participates in β ladder)trans-132.4135.4-178.4-178-130.5000110.3V32 L301 G303 M324 L325 F328 G329 R331 A335V32-Y333 HydrophobicContact CB-CD1 4.43Å; V32-Y333 HydrophobicContact CG1-CD1 3.48Å; V32-Y333 VanDerWaalsContact CG1-CD1 3.48Å; V32-Y333 HydrophobicContact CG1-CE1 3.8Å; V32-Y333 HydrophobicContact CG1-CG 4.33Å; V32-Y333 HydrophobicContact CG2-CD1 4.06Å; L301-Y333 HydrophobicContact CB-CD2 4.44Å; L301-Y333 CarbonylContact O-C 3.58Å; L301-Y333 WeakPolarHBondContact O-CA 3.4Å; L301-Y333 WeakPolarHBondContact O-CD2 3.49Å; G303-Y333 WeakPolarHBondContact O-CE2 3.28Å; G303-Y333 PolarHBondContact O-OH 3.24Å; M324-Y333 WeakPolarHBondContact CE-OH 3.47Å; M324-Y333 WeakPolarHBondContact CG-OH 3.39Å; M324-Y333 PolarHBondContact SD-OH 3.3Å; L325-Y333 HydrophobicContact CD2-CD1 4.08Å; L325-Y333 HydrophobicContact CD2-CE1 3.69Å; F328-Y333 HydrophobicContact CB-CD1 3.81Å; F328-Y333 HydrophobicContact CB-CD2 3.74Å; F328-Y333 HydrophobicContact CB-CE1 3.9Å; F328-Y333 HydrophobicContact CB-CE2 3.83Å; F328-Y333 HydrophobicContact CB-CG 3.74Å; F328-Y333 AromaticContact CD1-CD2 3.79Å; F328-Y333 HydrophobicContact CD1-CD2 3.79Å; F328-Y333 AromaticContact CD1-CE2 3.75Å; F328-Y333 HydrophobicContact CD1-CE2 3.75Å; F328-Y333 AromaticContact CD2-CD2 4Å; F328-Y333 HydrophobicContact CD2-CD2 4Å; F328-Y333 AromaticContact CD2-CE1 3.98Å; F328-Y333 HydrophobicContact CD2-CE1 3.98Å; F328-Y333 AromaticContact CD2-CE2 3.22Å; F328-Y333 HydrophobicContact CD2-CE2 3.22Å; F328-Y333 AromaticContact CD2-CZ 3.21Å; F328-Y333 WeakPolarHBondContact CD2-OH 3.12Å; F328-Y333 HydrophobicContact CE1-CD2 4.4Å; F328-Y333 HydrophobicContact CE1-CE2 4.09Å; F328-Y333 AromaticContact CE2-CE2 3.58Å; F328-Y333 HydrophobicContact CE2-CE2 3.58Å; F328-Y333 AromaticContact CE2-CZ 3.78Å; F328-Y333 WeakPolarHBondContact CE2-OH 3.39Å; F328-Y333 HydrophobicContact CG-CD1 4.37Å; F328-Y333 AromaticContact CG-CD2 3.57Å; F328-Y333 HydrophobicContact CG-CD2 3.57Å; F328-Y333 HydrophobicContact CG-CE1 4.16Å; F328-Y333 AromaticContact CG-CE2 3.31Å; F328-Y333 HydrophobicContact CG-CE2 3.31Å; F328-Y333 HydrophobicContact CG-CG 4.11Å; F328-Y333 AromaticContact CG-CZ 3.62Å; F328-Y333 HydrophobicContact CZ-CE2 4.01Å; G329-Y333 WeakPolarHBondContact O-CD1 3.47Å; R331-Y333 PolarHBondContact O-N 2.92Å; Y333-A335 HydrophobicContact CE1-CB 4.22Å
334I98.9Very high98Very high0 Ų027.8 Ų27.80%014%0.142CC..EExtended strand (participates in β ladder)trans-122.9116.8172.2-61.1162.5000107F20 A23 A24 P33 V279 L301 Q302 G303 N336F20-I334 HydrophobicContact CD2-CD1 3.99Å; F20-I334 HydrophobicContact CD2-CG1 4.37Å; F20-I334 HydrophobicContact CD2-CG2 3.86Å; F20-I334 HydrophobicContact CE2-CD1 3.82Å; F20-I334 HydrophobicContact CE2-CG2 3.97Å; A23-I334 HydrophobicContact CB-CG1 3.87Å; A24-I334 HydrophobicContact CB-CD1 3.97Å; P33-I334 HydrophobicContact CG-CG1 4.08Å; P33-I334 HydrophobicContact CG-CG2 4.45Å; V279-I334 HydrophobicContact CG1-CD1 4.35Å; V279-I334 HydrophobicContact CG2-CD1 4.22Å; L301-I334 PolarHBondContact O-N 2.87Å; Q302-I334 WeakPolarHBondContact CA-O 3.28Å; Q302-I334 HydrophobicContact CB-CB 4.22Å; Q302-I334 HydrophobicContact CG-CB 4.2Å; Q302-I334 HydrophobicContact CG-CG2 4.18Å; G303-I334 PolarHBondContact N-O 3.25Å; G303-I334 VanDerWaalsContact N-O 3.09Å; I334-N336 PolarHBondContact O-N 3.46Å
335A98.9Very high98Very high0 Ų027.4 Ų27.40%014%0.14CC..EExtended strand (participates in β ladder)trans-69.4136.1177.300000110.2V32 P33 V34 W35 M324 Y333 V357V32-A335 HydrophobicContact CG1-CB 3.89Å; P33-A335 PolarHBondContact O-N 2.96Å; V34-A335 WeakPolarHBondContact CA-O 3.41Å; V34-A335 HydrophobicContact CB-CB 4.03Å; V34-A335 HydrophobicContact CG2-CB 3.94Å; W35-A335 PolarHBondContact N-O 3.29Å; M324-A335 HydrophobicContact CE-CB 4.4Å; Y333-A335 HydrophobicContact CE1-CB 4.22Å; A335-V357 HydrophobicContact CB-CB 4.37Å; A335-V357 HydrophobicContact CB-CG1 3.64Å; A335-V357 HydrophobicContact CB-CG2 3.78Å
336N98.9Very high98Very high0 Ų031.2 Ų31.20%016%0.16CC..EExtended strand (participates in β ladder)trans-154.7175.9170.3-156.2-42.7000107.7W35 C36 M37 Q302 G303 N304 M305 I334W35-N336 VanDerWaalsContact CZ2-ND2 3.28Å; W35-N336 WeakPolarHBondContact CZ2-ND2 3.18Å; W35-N336 PolarHBondContact NE1-ND2 3.05Å; W35-N336 WeakPolarHBondContact O-CA 3.31Å; W35-N336 PolarHBondContact O-ND2 3.25Å; W35-N336 PolarHBondContact O-OD1 3.26Å; C36-N336 WeakPolarHBondContact CA-OD1 3.3Å; M37-N336 PolarHBondContact N-OD1 3.03Å; Q302-N336 HydrophobicContact CG-CB 3.85Å; G303-N336 CarbonylContact C-O 3.51Å; G303-N336 WeakPolarHBondContact CA-O 3.39Å; G303-N336 PolarHBondContact O-N 2.98Å; G303-N336 VanDerWaalsContact O-O 3.06Å; N304-N336 PolarHBondContact N-O 3.08Å; M305-N336 PolarHBondContact N-O 3.13Å; I334-N336 PolarHBondContact O-N 3.46Å
337L98.9Very high98Very high0 Ų028 Ų280%015%0.147CC..EExtended strand (participates in β ladder)trans-76161.6163.2-54.5179.2000110M37 M305 P307 L310 H339 L341 F353M37-L337 WeakPolarHBondContact CE-O 3.39Å; M305-L337 HydrophobicContact CB-CD2 4.12Å; M305-L337 HydrophobicContact CG-CD2 4.35Å; M305-L337 CarbonylContact O-C 3.57Å; M305-L337 VanDerWaalsContact O-CA 3.26Å; M305-L337 WeakPolarHBondContact O-CA 3.41Å; P307-L337 HydrophobicContact CB-CD1 4.31Å; P307-L337 HydrophobicContact CG-CB 4.24Å; L310-L337 HydrophobicContact CD1-CD1 3.78Å; L310-L337 HydrophobicContact CD1-CD2 4.08Å; L310-L337 HydrophobicContact CG-CD2 4.41Å; L337-H339 WeakPolarHBondContact CB-O 3.49Å; L337-H339 PolarHBondContact O-N 3.24Å; L337-L341 HydrophobicContact CD1-CD2 3.42Å; L337-L341 VanDerWaalsContact CD1-CD2 3.42Å; L337-L341 HydrophobicContact CD1-CG 3.78Å; L337-F353 HydrophobicContact CD2-CD1 4.43Å; L337-F353 HydrophobicContact CD2-CD2 4.44Å; L337-F353 HydrophobicContact CD2-CE1 4.14Å; L337-F353 HydrophobicContact CD2-CE2 4.17Å; L337-F353 HydrophobicContact CD2-CZ 4.01Å
338G98.6Very high98.1Very high0 Ų032.1 Ų32.10%016%0.163CC..SBendtrans-75-10.3173.700000113.7F261 L282 D283 M305F261-G338 WeakPolarHBondContact CZ-O 3.47Å; L282-G338 WeakPolarHBondContact O-CA 3.32Å; D283-G338 WeakPolarHBondContact CA-O 3.42Å; M305-G338 PolarHBondContact O-N 3.19Å
339H98.7Very high98.1Very high31 Ų3132.8 Ų32.814%0.14417%0.167CC..SBendtrans-158.8176.9171.4-158.6-94.4000110.1F261 K263 W284 P307 L337F261-H339 AromaticContact CZ-CD2 3.93Å; K263-H339 VanDerWaalsContact CD-CD2 3.42Å; K263-H339 WeakPolarHBondContact CD-CD2 3.4Å; K263-H339 VanDerWaalsContact CE-CD2 3.4Å; K263-H339 WeakPolarHBondContact CE-CD2 3.48Å; W284-H339 HydrophobicContact CE3-CB 4.42Å; W284-H339 HydrophobicContact CZ3-CB 3.98Å; P307-H339 HydrophobicContact CG-CB 3.87Å; L337-H339 WeakPolarHBondContact CB-O 3.49Å; L337-H339 PolarHBondContact O-N 3.24Å
340G98.3Very high98.2Very high2 Ų231.5 Ų31.52%0.02115%0.154CC..PPolyproline II helixtrans-67.3146.5178.700000114.5M37 Y342M37-G340 VanDerWaalsContact O-CA 3.27Å; M37-G340 WeakPolarHBondContact O-CA 3.35Å; G340-Y342 WeakPolarHBondContact O-CD1 3.23Å; G340-Y342 WeakPolarHBondContact O-CE1 3.42Å
341L98.8Very high98.3Very high7 Ų732 Ų324%0.03716%0.158CC..PPolyproline II helixtrans-49.7144.2173.4-71.3165.6000112.9C36 M37 R38 Y43 L310 L337 M345 V350C36-L341 HydrophobicContact CB-CD1 3.92Å; C36-L341 HydrophobicContact CB-CG 4.38Å; M37-L341 PolarHBondContact O-N 3.38Å; R38-L341 HydrophobicContact CB-CB 4.41Å; Y43-L341 HydrophobicContact CD1-CB 4.25Å; Y43-L341 HydrophobicContact CD1-CD1 3.97Å; Y43-L341 HydrophobicContact CE1-CB 4.46Å; Y43-L341 HydrophobicContact CE1-CD1 3.4Å; Y43-L341 VanDerWaalsContact CE1-CD1 3.4Å; Y43-L341 HydrophobicContact CE2-CD1 4.35Å; L310-L341 HydrophobicContact CD1-CD2 3.35Å; L337-L341 HydrophobicContact CD1-CD2 3.42Å; L337-L341 VanDerWaalsContact CD1-CD2 3.42Å; L337-L341 HydrophobicContact CD1-CG 3.78Å; L341-M345 HydrophobicContact CB-SD 4.2Å; L341-M345 HydrophobicContact CD2-SD 3.49Å; L341-M345 WeakPolarHBondContact CD2-SD 3.45Å; L341-M345 HydrophobicContact CG-SD 4.47Å; L341-V350 HydrophobicContact CD1-CG1 4.35Å; L341-V350 HydrophobicContact CD1-CG2 4.2Å; L341-V350 HydrophobicContact CD2-CG2 3.75Å
342Y98.4Very high98.5Very high69 Ų6925.3 Ų25.327%0.27114%0.137SC..PPolyproline II helixtrans-93.4153177.4-60.6-16.8000112.1Y43 G340 D344 M345Y43-Y342 WeakPolarHBondContact CB-O 3.34Å; G340-Y342 WeakPolarHBondContact O-CD1 3.23Å; G340-Y342 WeakPolarHBondContact O-CE1 3.42Å; Y342-D344 PolarHBondContact O-N 2.73Å; Y342-M345 HydrophobicContact CD2-CE 3.76Å; Y342-M345 HydrophobicContact CE2-CE 4.48Å; Y342-M345 HydrophobicContact CG-CE 3.83Å; Y342-M345 PolarHBondContact N-SD 3.01Å; Y342-M345 PolarHBondContact O-N 2.89Å
343P96.9Very high98.6Very high56 Ų5625 Ų2536%0.36413%0.134SC..THydrogen-bonded Turntrans-63.3-21.8-171.7-25.937.6000116.2R42 Y43R42-P343 HydrophobicContact CB-CB 3.77Å; R42-P343 HydrophobicContact CB-CG 4.29Å; Y43-P343 WeakPolarHBondContact CA-O 3.35Å
344D97.9Very high98.6Very high114 Ų11425 Ų2561%0.6113%0.134SC*.THydrogen-bonded Turntrans-102.95.2-173.564-34.7000113.3Y311 Y342Y311-D344 PolarHBondContact OH-OD1 2.94Å; Y311-D344 PolarHBondContact OH-OD2 3.07Å; Y342-D344 PolarHBondContact O-N 2.73Å
345M98.5Very high98.6Very high5 Ų529.4 Ų29.43%0.02516%0.157CC..  trans-70.4146175.4-70175.7171.500111.8P307 L310 Y311 L341 Y342 P347P307-M345 HydrophobicContact CB-CE 3.72Å; P307-M345 WeakPolarHBondContact O-CE 3.23Å; L310-M345 HydrophobicContact CB-SD 4.38Å; L310-M345 HydrophobicContact CD1-SD 3.93Å; Y311-M345 HydrophobicContact CE1-CG 3.8Å; Y311-M345 HydrophobicContact CE2-CE 4.13Å; L341-M345 HydrophobicContact CB-SD 4.2Å; L341-M345 HydrophobicContact CD2-SD 3.49Å; L341-M345 WeakPolarHBondContact CD2-SD 3.45Å; L341-M345 HydrophobicContact CG-SD 4.47Å; Y342-M345 HydrophobicContact CD2-CE 3.76Å; Y342-M345 HydrophobicContact CE2-CE 4.48Å; Y342-M345 HydrophobicContact CG-CE 3.83Å; Y342-M345 PolarHBondContact N-SD 3.01Å; Y342-M345 PolarHBondContact O-N 2.89Å; M345-P347 WeakPolarHBondContact O-CD 3.3Å
346D98.4Very high98.6Very high79 Ų7929.5 Ų29.542%0.42216%0.158SC..  trans-77.1123.1174.4-171.2-18.7000110.5E348 N349 V350D346-E348 PolarHBondContact O-N 3Å; D346-E348 VanDerWaalsContact O-N 3.16Å; D346-E348 WeakPolarHBondContact OD1-CB 3.34Å; D346-E348 PolarHBondContact OD1-N 3.22Å; D346-N349 HydrophobicContact CB-CB 4.37Å; D346-N349 PolarHBondContact O-N 3.43Å; D346-V350 PolarHBondContact O-N 3.02Å
347P98.7Very high98.6Very high16 Ų1629.5 Ų29.510%0.10416%0.158CC..Hα-helixtrans-51.5-33.1172.5-26.534.6000114.1Y43 L44 F77 M345 N349 V350 G351Y43-P347 HydrophobicContact CD2-CB 4.22Å; Y43-P347 HydrophobicContact CD2-CG 3.89Å; Y43-P347 HydrophobicContact CE2-CB 4.16Å; Y43-P347 HydrophobicContact CE2-CG 4.28Å; Y43-P347 WeakPolarHBondContact O-CG 3.49Å; L44-P347 HydrophobicContact CD2-CB 4.17Å; L44-P347 HydrophobicContact CD2-CG 4.17Å; F77-P347 WeakPolarHBondContact CE1-O 3.39Å; F77-P347 HydrophobicContact CZ-CB 4.1Å; F77-P347 WeakPolarHBondContact CZ-O 3.23Å; M345-P347 WeakPolarHBondContact O-CD 3.3Å; P347-N349 VanDerWaalsContact C-N 3.28Å; P347-N349 PolarHBondContact O-N 3.48Å; P347-V350 WeakPolarHBondContact O-CB 3.48Å; P347-V350 PolarHBondContact O-N 3.34Å; P347-G351 PolarHBondContact O-N 3.5Å
348E98.6Very high98.6Very high98 Ų9830.7 Ų30.746%0.45816%0.164SC..Hα-helixtrans-66.5-30.9179.3-69.2-60.5124.500112.9K314 D346 G351 A352K314-E348 IonicContact NZ-OE2 2.61Å; K314-E348 PolarHBondContact NZ-OE2 3.18Å; D346-E348 PolarHBondContact O-N 3Å; D346-E348 VanDerWaalsContact O-N 3.16Å; D346-E348 WeakPolarHBondContact OD1-CB 3.34Å; D346-E348 PolarHBondContact OD1-N 3.22Å; E348-G351 PolarHBondContact O-N 3.27Å; E348-A352 PolarHBondContact O-N 3.31Å
349N98.8Very high98.6Very high22 Ų2236.2 Ų36.212%0.11819%0.19CC..Hα-helixtrans-76.8-29.6175.8-75.4-3.6000111.7L310 A312 I317 D346 P347 G351 A352 F353L310-N349 VanDerWaalsContact O-CB 3.31Å; L310-N349 WeakPolarHBondContact O-CB 3.24Å; L310-N349 PolarHBondContact O-ND2 3.46Å; A312-N349 PolarHBondContact O-ND2 3.3Å; I317-N349 HydrophobicContact CD1-CB 3.61Å; D346-N349 HydrophobicContact CB-CB 4.37Å; D346-N349 PolarHBondContact O-N 3.43Å; P347-N349 VanDerWaalsContact C-N 3.28Å; P347-N349 PolarHBondContact O-N 3.48Å; N349-G351 VanDerWaalsContact C-N 3.33Å; N349-A352 PolarHBondContact O-N 3.48Å; N349-F353 PolarHBondContact O-N 3.03Å
350V98.8Very high98.6Very high0 Ų036 Ų360%019%0.188CC..Hα-helixtrans-64-41.6168.6-177.40000110.5Y43 F77 F79 L310 L341 D346 P347 F353 V354Y43-V350 HydrophobicContact CD2-CG2 4.08Å; Y43-V350 HydrophobicContact CE2-CB 4.22Å; Y43-V350 HydrophobicContact CE2-CG1 4.49Å; Y43-V350 HydrophobicContact CE2-CG2 3.66Å; F77-V350 HydrophobicContact CD2-CG1 4.39Å; F77-V350 HydrophobicContact CE1-CB 4.39Å; F77-V350 HydrophobicContact CE2-CB 4.47Å; F77-V350 HydrophobicContact CE2-CG1 4.17Å; F77-V350 HydrophobicContact CZ-CB 4.1Å; F77-V350 HydrophobicContact CZ-CG1 4.26Å; F79-V350 HydrophobicContact CZ-CG1 3.95Å; L310-V350 HydrophobicContact CD1-CG2 4.25Å; L341-V350 HydrophobicContact CD1-CG1 4.35Å; L341-V350 HydrophobicContact CD1-CG2 4.2Å; L341-V350 HydrophobicContact CD2-CG2 3.75Å; D346-V350 PolarHBondContact O-N 3.02Å; P347-V350 WeakPolarHBondContact O-CB 3.48Å; P347-V350 PolarHBondContact O-N 3.34Å; V350-F353 WeakPolarHBondContact O-CB 3.39Å; V350-F353 PolarHBondContact O-N 3.22Å; V350-V354 WeakPolarHBondContact O-CG2 3.48Å; V350-V354 PolarHBondContact O-N 3.22Å; V350-V354 VanDerWaalsContact O-N 3.14Å
351G98.8Very high98.6Very high11 Ų1135.9 Ų35.911%0.11319%0.188CC..Hα-helixtrans-59.3-48.1172.900000112.4P347 E348 N349 F353 V354 D355P347-G351 PolarHBondContact O-N 3.5Å; E348-G351 PolarHBondContact O-N 3.27Å; N349-G351 VanDerWaalsContact C-N 3.33Å; G351-F353 VanDerWaalsContact C-N 3.27Å; G351-F353 PolarHBondContact O-N 2.81Å; G351-V354 PolarHBondContact O-N 2.72Å; G351-V354 VanDerWaalsContact O-N 3.12Å; G351-D355 PolarHBondContact O-N 3.2Å
352A98.8Very high98.5Very high16 Ų1640 Ų4013%0.13221%0.205CC..Hα-helixtrans-58.8-36.317700000113.2K314 I317 E348 N349 A356K314-A352 HydrophobicContact CB-CB 4.08Å; K314-A352 HydrophobicContact CD-CB 4.16Å; K314-A352 HydrophobicContact CG-CB 3.84Å; I317-A352 HydrophobicContact CG2-CB 4.42Å; E348-A352 PolarHBondContact O-N 3.31Å; N349-A352 PolarHBondContact O-N 3.48Å; A352-A356 WeakPolarHBondContact O-CB 3.24Å; A352-A356 PolarHBondContact O-N 3.34Å
353F98.9Very high98.4Very high0 Ų040.8 Ų40.80%021%0.213CC..Hα-helixtrans-62.9-49.3173.4166.7-106.6000112.1V34 M305 L310 I317 V321 M324 L337 N349 V350 G351 A356 V357V34-F353 HydrophobicContact CG2-CD1 4.19Å; V34-F353 HydrophobicContact CG2-CE1 3.39Å; V34-F353 HydrophobicContact CG2-CZ 3.86Å; M305-F353 HydrophobicContact CB-CE2 4.18Å; M305-F353 HydrophobicContact SD-CD2 3.46Å; M305-F353 WeakPolarHBondContact SD-CD2 3.3Å; M305-F353 HydrophobicContact SD-CE2 3.61Å; L310-F353 HydrophobicContact CD2-CB 3.68Å; L310-F353 HydrophobicContact CD2-CG 4.26Å; I317-F353 HydrophobicContact CG2-CB 4.06Å; V321-F353 HydrophobicContact CG2-CD2 3.46Å; V321-F353 VanDerWaalsContact CG2-CD2 3.46Å; V321-F353 HydrophobicContact CG2-CE2 3.86Å; M324-F353 HydrophobicContact CE-CE2 4.06Å; L337-F353 HydrophobicContact CD2-CD1 4.43Å; L337-F353 HydrophobicContact CD2-CD2 4.44Å; L337-F353 HydrophobicContact CD2-CE1 4.14Å; L337-F353 HydrophobicContact CD2-CE2 4.17Å; L337-F353 HydrophobicContact CD2-CZ 4.01Å; N349-F353 PolarHBondContact O-N 3.03Å; V350-F353 WeakPolarHBondContact O-CB 3.39Å; V350-F353 PolarHBondContact O-N 3.22Å; G351-F353 VanDerWaalsContact C-N 3.27Å; G351-F353 PolarHBondContact O-N 2.81Å; F353-A356 PolarHBondContact O-N 2.94Å; F353-V357 HydrophobicContact CD2-CG2 4.38Å; F353-V357 HydrophobicContact CE2-CG2 3.97Å; F353-V357 HydrophobicContact CZ-CG2 4.11Å; F353-V357 WeakPolarHBondContact O-CG2 3.49Å; F353-V357 PolarHBondContact O-N 3.11Å
354V98.9Very high98.4Very high0 Ų040 Ų400%021%0.206CC..Hα-helixtrans-61.1-49.9-180172.70000110.9V34 F77 P78 F79 V350 G351 A356 V357 H358V34-V354 HydrophobicContact CG1-CB 4.3Å; V34-V354 HydrophobicContact CG1-CG1 3.79Å; V34-V354 HydrophobicContact CG1-CG2 4.28Å; F77-V354 HydrophobicContact CB-CG2 4.44Å; P78-V354 HydrophobicContact CG-CG1 3.76Å; F79-V354 HydrophobicContact CD1-CG2 3.65Å; F79-V354 HydrophobicContact CE1-CG2 3.24Å; F79-V354 HydrophobicContact CZ-CG2 4.02Å; V350-V354 WeakPolarHBondContact O-CG2 3.48Å; V350-V354 PolarHBondContact O-N 3.22Å; V350-V354 VanDerWaalsContact O-N 3.14Å; G351-V354 PolarHBondContact O-N 2.72Å; G351-V354 VanDerWaalsContact O-N 3.12Å; V354-A356 VanDerWaalsContact C-N 3.33Å; V354-A356 PolarHBondContact O-N 3.2Å; V354-V357 PolarHBondContact O-N 2.7Å; V354-H358 PolarHBondContact O-N 3.05Å; V354-H358 VanDerWaalsContact O-N 3.11Å
355D98.8Very high98.2Very high91 Ų9136.3 Ų36.349%0.48719%0.186SC..Hα-helixtrans-61.3-42.6-179.5-69-19.6000111.4G351 V357 H358 Q359G351-D355 PolarHBondContact O-N 3.2Å; D355-V357 VanDerWaalsContact C-N 3.35Å; D355-V357 PolarHBondContact O-N 3.16Å; D355-H358 PolarHBondContact O-N 3.47Å; D355-Q359 VanDerWaalsContact O-CB 3.32Å; D355-Q359 WeakPolarHBondContact O-CB 3.24Å; D355-Q359 PolarHBondContact O-N 2.88Å
356A98.9Very high97.9Very high3 Ų344.1 Ų44.13%0.02522%0.22CC..Hα-helixtrans-62.9-39.517700000112.2V321 A352 F353 V354 Q359 H360V321-A356 HydrophobicContact CB-CB 3.97Å; V321-A356 HydrophobicContact CG1-CB 3.91Å; V321-A356 HydrophobicContact CG2-CB 4.16Å; A352-A356 WeakPolarHBondContact O-CB 3.24Å; A352-A356 PolarHBondContact O-N 3.34Å; F353-A356 PolarHBondContact O-N 2.94Å; V354-A356 VanDerWaalsContact C-N 3.33Å; V354-A356 PolarHBondContact O-N 3.2Å; A356-Q359 PolarHBondContact O-N 3.11Å; A356-H360 WeakPolarHBondContact O-CB 3.39Å; A356-H360 PolarHBondContact O-CD2 2.82Å; A356-H360 PolarHBondContact O-N 3.41Å
357V98.9Very high97.3Very high0 Ų047.6 Ų47.60%023%0.233CC..Hα-helixtrans-62.2-50.1177.1170.80000110.1V32 V34 V321 A335 F353 V354 D355 Q359 S361V32-V357 HydrophobicContact CB-CG1 4.23Å; V32-V357 HydrophobicContact CG1-CG1 4.14Å; V32-V357 WeakPolarHBondContact O-CG1 3.3Å; V34-V357 HydrophobicContact CB-CB 4.23Å; V34-V357 HydrophobicContact CB-CG1 3.96Å; V34-V357 HydrophobicContact CB-CG2 4.45Å; V34-V357 HydrophobicContact CG1-CB 4.36Å; V34-V357 HydrophobicContact CG1-CG1 4.36Å; V34-V357 HydrophobicContact CG2-CB 4.42Å; V34-V357 HydrophobicContact CG2-CG2 4.13Å; V321-V357 HydrophobicContact CG1-CB 4.25Å; V321-V357 HydrophobicContact CG1-CG2 3.57Å; V321-V357 HydrophobicContact CG2-CG2 4.44Å; A335-V357 HydrophobicContact CB-CB 4.37Å; A335-V357 HydrophobicContact CB-CG1 3.64Å; A335-V357 HydrophobicContact CB-CG2 3.78Å; F353-V357 HydrophobicContact CD2-CG2 4.38Å; F353-V357 HydrophobicContact CE2-CG2 3.97Å; F353-V357 HydrophobicContact CZ-CG2 4.11Å; F353-V357 WeakPolarHBondContact O-CG2 3.49Å; F353-V357 PolarHBondContact O-N 3.11Å; V354-V357 PolarHBondContact O-N 2.7Å; D355-V357 VanDerWaalsContact C-N 3.35Å; D355-V357 PolarHBondContact O-N 3.16Å; V357-Q359 PolarHBondContact O-N 3.03Å; V357-S361 WeakPolarHBondContact O-CB 3.45Å; V357-S361 PolarHBondContact O-N 3.44Å; V357-S361 PolarHBondContact O-OG 3.38Å
358H98.8Very high96.1Very high24 Ų2455.5 Ų55.511%0.11127%0.266CS..Hα-helixtrans-61.5-43179.9-72.5-178.8000112.3H31 P78 D80 V354 D355 S361 K362H31-H358 AromaticContact CD2-CD2 3.38Å; H31-H358 PolarHBondContact CD2-CD2 3.04Å; H31-H358 AromaticContact CD2-NE2 3.6Å; H31-H358 AromaticContact NE2-CD2 3.82Å; H31-H358 AromaticContact NE2-NE2 3.55Å; P78-H358 PolarHBondContact O-CE1 2.92Å; D80-H358 IonicContact OD1-NE2 3.52Å; D80-H358 IonicContact OD2-CD2 3.38Å; D80-H358 IonicContact OD2-CE1 2.68Å; D80-H358 IonicContact OD2-NE2 3.45Å; D80-H358 PolarHBondContact OD2-NE2 2.92Å; V354-H358 PolarHBondContact O-N 3.05Å; V354-H358 VanDerWaalsContact O-N 3.11Å; D355-H358 PolarHBondContact O-N 3.47Å; H358-S361 PolarHBondContact O-OG 3.12Å; H358-K362 WeakPolarHBondContact O-CD 3.43Å; H358-K362 VanDerWaalsContact O-CG 3.24Å; H358-K362 WeakPolarHBondContact O-CG 3.47Å; H358-K362 PolarHBondContact O-N 3.41Å
359Q98.5Very high96Very high116 Ų11653.4 Ų53.454%0.54226%0.257SS..Hα-helixtrans-67.4-54.8-178.6-176.5179.4400112D355 A356 V357 S361 K362 L363D355-Q359 VanDerWaalsContact O-CB 3.32Å; D355-Q359 WeakPolarHBondContact O-CB 3.24Å; D355-Q359 PolarHBondContact O-N 2.88Å; A356-Q359 PolarHBondContact O-N 3.11Å; V357-Q359 PolarHBondContact O-N 3.03Å; Q359-S361 PolarHBondContact O-N 3.17Å; Q359-K362 PolarHBondContact O-N 3.45Å; Q359-L363 WeakPolarHBondContact O-CG 3.38Å; Q359-L363 PolarHBondContact O-N 3.33Å
360H98.6Very high95.9Very high26 Ų2655.1 Ų55.112%0.1226%0.264CS..Hα-helixtrans-68.1-37.1-174.9-69.7-51.5000112.1S318 L325 A356 L363 L364S318-H360 PolarHBondContact O-NE2 2.81Å; S318-H360 PolarHBondContact OG-NE2 2.86Å; L325-H360 HydrophobicContact CD1-CB 3.55Å; A356-H360 WeakPolarHBondContact O-CB 3.39Å; A356-H360 PolarHBondContact O-CD2 2.82Å; A356-H360 PolarHBondContact O-N 3.41Å; H360-L363 PolarHBondContact O-N 2.86Å; H360-L364 WeakPolarHBondContact O-CG 3.47Å; H360-L364 PolarHBondContact O-N 3.43Å
361S98.4Very high95.7Very high0 Ų058.1 Ų58.10%028%0.279CS..Hα-helixtrans-66-41178.261.50000112.7V32 V357 H358 Q359 L363 L364 I365V32-S361 PolarHBondContact N-OG 3.17Å; V357-S361 WeakPolarHBondContact O-CB 3.45Å; V357-S361 PolarHBondContact O-N 3.44Å; V357-S361 PolarHBondContact O-OG 3.38Å; H358-S361 PolarHBondContact O-OG 3.12Å; Q359-S361 PolarHBondContact O-N 3.17Å; S361-L363 VanDerWaalsContact C-N 3.27Å; S361-L363 PolarHBondContact O-N 2.9Å; S361-L364 PolarHBondContact O-N 3.28Å; S361-I365 VanDerWaalsContact O-CG1 3.29Å; S361-I365 WeakPolarHBondContact O-CG1 3.35Å; S361-I365 PolarHBondContact O-N 3.3Å
362K97.7Very high95.5Very high95 Ų9560.9 Ų60.941%0.41329%0.288SS..Hα-helixtrans-60.5-37.3174-74.6174.5-177.1175.10112.3H31 H358 Q359 K366H31-K362 HydrophobicContact CB-CD 4.39Å; H31-K362 HydrophobicContact CB-CG 3.75Å; H358-K362 WeakPolarHBondContact O-CD 3.43Å; H358-K362 VanDerWaalsContact O-CG 3.24Å; H358-K362 WeakPolarHBondContact O-CG 3.47Å; H358-K362 PolarHBondContact O-N 3.41Å; Q359-K362 PolarHBondContact O-N 3.45Å; K362-K366 WeakPolarHBondContact O-CG 3.49Å; K362-K366 PolarHBondContact O-N 3.25Å
363L96.9Very high95.3Very high84 Ų8463.7 Ų63.744%0.4430%0.298SS..Hα-helixtrans-67.1-45.3175.9-68172.4000111.5Q359 H360 S361 I365 K366 Q367Q359-L363 WeakPolarHBondContact O-CG 3.38Å; Q359-L363 PolarHBondContact O-N 3.33Å; H360-L363 PolarHBondContact O-N 2.86Å; S361-L363 VanDerWaalsContact C-N 3.27Å; S361-L363 PolarHBondContact O-N 2.9Å; L363-I365 VanDerWaalsContact C-N 3.33Å; L363-I365 PolarHBondContact O-N 3.01Å; L363-K366 PolarHBondContact O-N 3.2Å; L363-Q367 VanDerWaalsContact O-CG 3.29Å; L363-Q367 WeakPolarHBondContact O-CG 3.43Å; L363-Q367 PolarHBondContact O-N 2.99Å
364L95.7Very high95.1Very high39 Ų3967.9 Ų67.920%0.20432%0.318CS..Hα-helixtrans-63.2-37.4177.9-72.1172000112.7L325 T330 H360 S361 Q367L325-L364 HydrophobicContact CB-CD1 3.75Å; T330-L364 HydrophobicContact CG2-CB 3.86Å; H360-L364 WeakPolarHBondContact O-CG 3.47Å; H360-L364 PolarHBondContact O-N 3.43Å; S361-L364 PolarHBondContact O-N 3.28Å; L364-Q367 PolarHBondContact O-N 2.93Å
365I94.4Very high94.8Very high37 Ų3772.8 Ų72.819%0.1934%0.341CS..Hα-helixtrans-67.7-42.6177.5-68.1163.4000111P29 E30 T330 S361 L363 Q367 K368P29-I365 WeakPolarHBondContact O-CD1 3.31Å; E30-I365 WeakPolarHBondContact O-CD1 3.38Å; T330-I365 HydrophobicContact CG2-CD1 4.42Å; T330-I365 HydrophobicContact CG2-CG1 3.72Å; S361-I365 VanDerWaalsContact O-CG1 3.29Å; S361-I365 WeakPolarHBondContact O-CG1 3.35Å; S361-I365 PolarHBondContact O-N 3.3Å; L363-I365 VanDerWaalsContact C-N 3.33Å; L363-I365 PolarHBondContact O-N 3.01Å; I365-Q367 PolarHBondContact O-N 2.9Å; I365-K368 PolarHBondContact O-N 3.07Å
366K91.6Very high94.5Very high170 Ų17071.4 Ų71.474%0.73933%0.33SS*.Hα-helixtrans-68.3-18179.5-73.8178.4-178.9-175.90114.6K362 L363K362-K366 WeakPolarHBondContact O-CG 3.49Å; K362-K366 PolarHBondContact O-N 3.25Å; L363-K366 PolarHBondContact O-N 3.2Å
367Q86Confident94.1Very high151 Ų15177.1 Ų77.171%0.70636%0.355SS*.THydrogen-bonded Turntrans-89.2-11.7179.7-72.1172.210.700113.1L363 L364 I365L363-Q367 VanDerWaalsContact O-CG 3.29Å; L363-Q367 WeakPolarHBondContact O-CG 3.43Å; L363-Q367 PolarHBondContact O-N 2.99Å; L364-Q367 PolarHBondContact O-N 2.93Å; I365-Q367 PolarHBondContact O-N 2.9Å
368K74Confident93.7Very high183 Ų18384.1 Ų84.180%0.79639%0.387SS*.  trans-85.40170.3-68.5177.7173.8179.80110T330 I365T330-K368 PolarHBondContact OG1-NZ 3.25Å; I365-K368 PolarHBondContact O-N 3.07Å

Retrieved 368 of 368 residues in 163.3 ms (Link to these results)

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