A0A3Q0KET6_SCHMA Loading...

Methionine--tRNA ligase, cytoplasmic

AlphaFold DB , UniProt , Accession A0A3Q0KET6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 627 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
1M31.1Very low55.6Low245 Ų245113 Ų113100%1.20759%0.585SS**  086.10-80.4169.260.600106.1
2E31.1Very low58.7Low139 Ų139105.3 Ų105.365%0.6555%0.545SS*.  trans-71.1133.6163-77.4165.1154.300106.3I4 R492E2-I4 PolarHBondContact O-N 3.23Å; E2-R492 IonicContact OE2-NH2 3.57Å
3E30.9Very low61.4Low192 Ų192101.5 Ų101.590%0.89753%0.529SS*.  trans-54.4105.3-179.3-84.7177.4145.500109.6T5E3-T5 VanDerWaalsContact C-N 3.35Å; E3-T5 PolarHBondContact O-N 3.39Å
4I44.3Very low63.8Low79 Ų79104.2 Ų104.241%0.40555%0.545SS..  trans-63.1107159.2-60.7172.7000103.8E2 E6E2-I4 PolarHBondContact O-N 3.23Å; I4-E6 PolarHBondContact O-N 3.18Å
5T50.5Low65.8Low102 Ų102107.9 Ų107.963%0.62656%0.558SS**  trans-49.5116.5174.32.90000107.3E3E3-T5 VanDerWaalsContact C-N 3.35Å; E3-T5 PolarHBondContact O-N 3.39Å
6E59.3Low67.7Low134 Ų134103.4 Ų103.463%0.62654%0.536SS*.  trans-55.2133.9178.7-77.9-159.6158.100108.6I4 S8 S9I4-E6 PolarHBondContact O-N 3.18Å; E6-S8 WeakPolarHBondContact CB-OG 3.47Å; E6-S8 PolarHBondContact O-N 2.97Å; E6-S8 PolarHBondContact OE2-OG 3.48Å; E6-S9 PolarHBondContact O-N 3.2Å; E6-S9 PolarHBondContact O-OG 3.35Å
7P60Low69.4Low19 Ų1999.4 Ų99.412%0.12351%0.513CS..G310 helixtrans-53.1-27.6-178.4-16.417.1000113.7S9 R474 T500 L504P7-S9 VanDerWaalsContact C-N 3.35Å; P7-R474 PolarHBondContact O-NH1 3.4Å; P7-T500 HydrophobicContact CB-CG2 4.14Å; P7-T500 HydrophobicContact CG-CG2 3.81Å; P7-L504 HydrophobicContact CB-CB 4.29Å; P7-L504 HydrophobicContact CB-CD1 3.89Å
8S62.3Low70.8Confident72 Ų72101.9 Ų101.950%0.50352%0.52SS..G310 helixtrans-68.5-25.1176.849.70000113.8E6 R474E6-S8 WeakPolarHBondContact CB-OG 3.47Å; E6-S8 PolarHBondContact O-N 2.97Å; E6-S8 PolarHBondContact OE2-OG 3.48Å; S8-R474 PolarHBondContact O-NH1 3.02Å
9S71.7Confident72.1Confident72 Ų72101.4 Ų101.450%0.50351%0.511SS..G310 helixtrans-85-6.6-175.671.60000114.5E6 P7 H11E6-S9 PolarHBondContact O-N 3.2Å; E6-S9 PolarHBondContact O-OG 3.35Å; P7-S9 VanDerWaalsContact C-N 3.35Å; S9-H11 PolarHBondContact O-N 3.37Å; S9-H11 VanDerWaalsContact O-N 3.16Å
10I81.8Confident73.3Confident35 Ų3596.4 Ų96.418%0.17949%0.486CS..  trans-64.3116.4175.4-56.2175.2000108.9I12 R474 K477 L478I10-I12 HydrophobicContact CG2-CD1 3.94Å; I10-I12 PolarHBondContact O-N 3.36Å; I10-R474 PolarHBondContact O-NH1 2.74Å; I10-K477 HydrophobicContact CG2-CB 4.01Å; I10-K477 HydrophobicContact CG2-CG 4.12Å; I10-L478 HydrophobicContact CD1-CD1 3.99Å; I10-L478 HydrophobicContact CD1-CD2 3.67Å; I10-L478 HydrophobicContact CD1-CG 3.58Å
11H88.3Confident74.4Confident154 Ų15492.1 Ų92.171%0.71347%0.466SS*.  trans-70.6127.8175.3-177.239.2000110.3S9S9-H11 PolarHBondContact O-N 3.37Å; S9-H11 VanDerWaalsContact O-N 3.16Å
12I92.7Very high77.3Confident20 Ų2084.9 Ų84.910%0.10343%0.432CS..  trans-123.9129.1179.1-60.8-60.2000108.3I10 D16 Q17 A473 R474 K477I10-I12 HydrophobicContact CG2-CD1 3.94Å; I10-I12 PolarHBondContact O-N 3.36Å; I12-D16 HydrophobicContact CG2-CB 3.94Å; I12-Q17 HydrophobicContact CG2-CG 3.51Å; I12-A473 HydrophobicContact CD1-CB 4.07Å; I12-A473 HydrophobicContact CG1-CB 4.49Å; I12-A473 HydrophobicContact CG2-CB 3.6Å; I12-R474 HydrophobicContact CD1-CB 4.46Å; I12-R474 HydrophobicContact CD1-CG 3.85Å; I12-R474 HydrophobicContact CG1-CG 3.57Å; I12-K477 HydrophobicContact CD1-CG 3.82Å
13T94.5Very high80.3Confident56 Ų5679.3 Ų79.334%0.34441%0.408SS..  trans-90162.417565.60000111.1E15 D16 Q17T13-E15 PolarHBondContact O-N 3.07Å; T13-D16 PolarHBondContact N-OD2 3.45Å; T13-D16 WeakPolarHBondContact O-CB 3.46Å; T13-D16 PolarHBondContact O-N 3.43Å; T13-D16 PolarHBondContact OG1-N 3.46Å; T13-D16 VanDerWaalsContact OG1-N 3.12Å; T13-D16 PolarHBondContact OG1-OD2 3.04Å; T13-Q17 PolarHBondContact O-N 2.89Å; T13-Q17 VanDerWaalsContact O-N 3.14Å
14D94.2Very high83.4Confident140 Ų14070.2 Ų70.275%0.74937%0.365SS*.Hα-helixtrans-60.1-31.9173.7-66.5-21.1000112Q17 K18D14-Q17 PolarHBondContact O-N 3.05Å; D14-K18 WeakPolarHBondContact O-CB 3.45Å; D14-K18 PolarHBondContact O-N 3.01Å
15E95.2Very high85.6Confident159 Ų15969.8 Ų69.874%0.74336%0.363SS*.Hα-helixtrans-67.1-43175.5-173174.1-174.400111.7T13 Q17 K18 R19T13-E15 PolarHBondContact O-N 3.07Å; E15-Q17 VanDerWaalsContact C-N 3.31Å; E15-Q17 PolarHBondContact O-N 3Å; E15-K18 PolarHBondContact O-N 3.2Å; E15-R19 WeakPolarHBondContact O-CB 3.15Å; E15-R19 PolarHBondContact O-N 3.24Å
16D95.7Very high87.5Confident37 Ų3769.1 Ų69.120%0.19836%0.356CS..Hα-helixtrans-59-43.1174.5-68.4-58.4000111.1I12 T13 A20 A473 K477I12-D16 HydrophobicContact CG2-CB 3.94Å; T13-D16 PolarHBondContact N-OD2 3.45Å; T13-D16 WeakPolarHBondContact O-CB 3.46Å; T13-D16 PolarHBondContact O-N 3.43Å; T13-D16 PolarHBondContact OG1-N 3.46Å; T13-D16 VanDerWaalsContact OG1-N 3.12Å; T13-D16 PolarHBondContact OG1-OD2 3.04Å; D16-A20 WeakPolarHBondContact O-CB 3.46Å; D16-A20 PolarHBondContact O-N 3.21Å; D16-A473 HydrophobicContact CB-CB 4.12Å; D16-K477 WeakPolarHBondContact OD1-CE 3.38Å; D16-K477 IonicContact OD1-NZ 2.85Å; D16-K477 PolarHBondContact OD1-NZ 2.86Å; D16-K477 IonicContact OD2-NZ 2.89Å; D16-K477 PolarHBondContact OD2-NZ 3.44Å
17Q96Very high88.7Confident34 Ų3466.9 Ų66.916%0.15934%0.342CS..Hα-helixtrans-65.8-47178.4-64.1-1674000112.1I12 T13 D14 E15 R19 A20 G21 P466 T469 E470 A473I12-Q17 HydrophobicContact CG2-CG 3.51Å; T13-Q17 PolarHBondContact O-N 2.89Å; T13-Q17 VanDerWaalsContact O-N 3.14Å; D14-Q17 PolarHBondContact O-N 3.05Å; E15-Q17 VanDerWaalsContact C-N 3.31Å; E15-Q17 PolarHBondContact O-N 3Å; Q17-R19 PolarHBondContact O-N 2.94Å; Q17-A20 PolarHBondContact O-N 3.36Å; Q17-G21 PolarHBondContact O-N 2.86Å; Q17-P466 PolarHBondContact OE1-O 3.5Å; Q17-T469 WeakPolarHBondContact O-CB 3.47Å; Q17-T469 PolarHBondContact OE1-OG1 2.97Å; Q17-E470 HydrophobicContact CG-CB 4.45Å; Q17-A473 HydrophobicContact CG-CB 4.32Å
18K95.5Very high89.8Confident146 Ų14670.7 Ų70.764%0.63536%0.362SS*.Hα-helixtrans-58.9-50.7179-175.7-176.1175.2-169.90110.6D14 E15 A20 G21 D22D14-K18 WeakPolarHBondContact O-CB 3.45Å; D14-K18 PolarHBondContact O-N 3.01Å; E15-K18 PolarHBondContact O-N 3.2Å; K18-A20 VanDerWaalsContact C-N 3.32Å; K18-A20 PolarHBondContact O-N 2.95Å; K18-G21 PolarHBondContact O-N 2.85Å; K18-D22 VanDerWaalsContact O-CG 3.3Å; K18-D22 PolarHBondContact O-N 2.76Å
19R95.7Very high90.8Very high92 Ų9273.7 Ų73.735%0.34737%0.368SS..Hα-helixtrans-59.8-43.4178.1-176.5-177.1176.5117.21.6111.8E15 Q17 G21 D22 V23 N576 E577 T579E15-R19 WeakPolarHBondContact O-CB 3.15Å; E15-R19 PolarHBondContact O-N 3.24Å; Q17-R19 PolarHBondContact O-N 2.94Å; R19-G21 VanDerWaalsContact C-N 3.31Å; R19-G21 PolarHBondContact O-N 3.41Å; R19-D22 PolarHBondContact O-N 2.83Å; R19-V23 HydrophobicContact CG-CG2 4.11Å; R19-V23 WeakPolarHBondContact O-CB 3.44Å; R19-V23 WeakPolarHBondContact O-CG2 3.35Å; R19-V23 PolarHBondContact O-N 3.02Å; R19-N576 PolarHBondContact NH2-O 2.95Å; R19-E577 IonicContact CZ-OE2 3.29Å; R19-E577 IonicContact NH1-OE2 3.39Å; R19-E577 PolarHBondContact NH1-OE2 3.03Å; R19-E577 IonicContact NH2-OE2 3.38Å; R19-E577 PolarHBondContact NH2-OE2 2.97Å; R19-T579 HydrophobicContact CG-CG2 4.22Å; R19-T579 PolarHBondContact NE-OG1 3.19Å
20A96.1Very high91.6Very high1 Ų172.4 Ų72.41%0.00835%0.353CS..Hα-helixtrans-60.2-42.4177.700000111.7D16 Q17 K18 F24 L472 A473 N476D16-A20 WeakPolarHBondContact O-CB 3.46Å; D16-A20 PolarHBondContact O-N 3.21Å; Q17-A20 PolarHBondContact O-N 3.36Å; K18-A20 VanDerWaalsContact C-N 3.32Å; K18-A20 PolarHBondContact O-N 2.95Å; A20-F24 WeakPolarHBondContact O-CB 3.5Å; A20-F24 PolarHBondContact O-N 3.39Å; A20-F24 VanDerWaalsContact O-N 3.12Å; A20-L472 HydrophobicContact CB-CB 3.88Å; A20-A473 HydrophobicContact CB-CB 3.94Å; A20-N476 WeakPolarHBondContact CB-ND2 3.27Å
21G95.1Very high92Very high6 Ų674.4 Ų74.46%0.06237%0.367CS..Hα-helixtrans-64.4-50.2175.500000112.8Q17 K18 R19 L25Q17-G21 PolarHBondContact O-N 2.86Å; K18-G21 PolarHBondContact O-N 2.85Å; R19-G21 VanDerWaalsContact C-N 3.31Å; R19-G21 PolarHBondContact O-N 3.41Å; G21-L25 WeakPolarHBondContact O-CG 3.4Å; G21-L25 PolarHBondContact O-N 2.63Å
22D93.5Very high92.1Very high93 Ų9368.2 Ų68.250%0.49734%0.338SS..Hα-helixtrans-62-50.8-176.3-67.6-17.3000111.1K18 R19 L25K18-D22 VanDerWaalsContact O-CG 3.3Å; K18-D22 PolarHBondContact O-N 2.76Å; R19-D22 PolarHBondContact O-N 2.83Å; D22-L25 PolarHBondContact O-N 3.28Å
23V94.1Very high92Very high23 Ų2369.7 Ų69.714%0.13935%0.349CS..Hα-helixtrans-72.7-34-176.7176.20000112.5R19 L25 D26 N576 T579 T581R19-V23 HydrophobicContact CG-CG2 4.11Å; R19-V23 WeakPolarHBondContact O-CB 3.44Å; R19-V23 WeakPolarHBondContact O-CG2 3.35Å; R19-V23 PolarHBondContact O-N 3.02Å; V23-L25 PolarHBondContact O-N 3.42Å; V23-D26 WeakPolarHBondContact O-CB 3.39Å; V23-D26 PolarHBondContact O-N 3.34Å; V23-N576 HydrophobicContact CG1-CB 4.45Å; V23-T579 HydrophobicContact CB-CG2 3.56Å; V23-T579 HydrophobicContact CG1-CG2 3.68Å; V23-T579 HydrophobicContact CG2-CG2 3.91Å; V23-T581 HydrophobicContact CG1-CG2 3.65Å
24F95.1Very high91.8Very high1 Ų173 Ų730%0.00437%0.369CS..Hα-helixtrans-67.2-24.3177.7-173.2-102.2000112.1A20 D26 I461 L464 L472 V533 N536 V580 R582A20-F24 WeakPolarHBondContact O-CB 3.5Å; A20-F24 PolarHBondContact O-N 3.39Å; A20-F24 VanDerWaalsContact O-N 3.12Å; F24-D26 PolarHBondContact O-N 2.95Å; F24-I461 HydrophobicContact CD1-CD1 4.3Å; F24-I461 HydrophobicContact CE1-CD1 3.62Å; F24-L464 HydrophobicContact CD1-CD1 4.38Å; F24-L472 HydrophobicContact CB-CD1 3.88Å; F24-L472 HydrophobicContact CD1-CD1 3.63Å; F24-L472 HydrophobicContact CD1-CD2 4.21Å; F24-L472 HydrophobicContact CD2-CD1 4.31Å; F24-L472 HydrophobicContact CD2-CD2 3.61Å; F24-L472 HydrophobicContact CE1-CD1 4.22Å; F24-L472 HydrophobicContact CE1-CD2 4.3Å; F24-L472 HydrophobicContact CE2-CD2 3.72Å; F24-L472 HydrophobicContact CG-CD1 3.67Å; F24-L472 HydrophobicContact CG-CD2 3.86Å; F24-L472 HydrophobicContact CG-CG 4.41Å; F24-L472 HydrophobicContact CZ-CD2 4.06Å; F24-V533 HydrophobicContact CE1-CG2 3.91Å; F24-V533 HydrophobicContact CZ-CG2 4.47Å; F24-N536 HydrophobicContact CE2-CB 3.91Å; F24-N536 HydrophobicContact CZ-CB 3.6Å; F24-V580 HydrophobicContact CD2-CG1 4.32Å; F24-V580 HydrophobicContact CE2-CG1 4.39Å; F24-R582 WeakPolarHBondContact O-CB 3.41Å; F24-R582 PolarHBondContact O-NE 3.34Å
25L91.4Very high91.7Very high69 Ų6967.9 Ų67.936%0.36134%0.339SS..THydrogen-bonded Turntrans-75.6-13.7173.4-68173.6000112.9G21 D22 V23 I461 L464 R582G21-L25 WeakPolarHBondContact O-CG 3.4Å; G21-L25 PolarHBondContact O-N 2.63Å; D22-L25 PolarHBondContact O-N 3.28Å; V23-L25 PolarHBondContact O-N 3.42Å; L25-I461 HydrophobicContact CD2-CB 4.26Å; L25-I461 HydrophobicContact CD2-CG2 3.72Å; L25-L464 HydrophobicContact CD1-CD1 4.45Å; L25-L464 HydrophobicContact CD2-CD1 4.2Å; L25-L464 HydrophobicContact CD2-CG 4.44Å; L25-L464 HydrophobicContact CG-CD1 4.09Å; L25-R582 VanDerWaalsContact C-NH2 3.29Å; L25-R582 PolarHBondContact O-NH2 3.46Å
26D89Confident91.3Very high88 Ų8867 Ų6747%0.47134%0.335SS..  trans-81.6136174.2-68-29.4000111.5V23 F24 R582V23-D26 WeakPolarHBondContact O-CB 3.39Å; V23-D26 PolarHBondContact O-N 3.34Å; F24-D26 PolarHBondContact O-N 2.95Å; D26-R582 WeakPolarHBondContact O-CB 3.44Å; D26-R582 PolarHBondContact O-N 3.2Å
27Y85.2Confident91Very high87 Ų8770.7 Ų70.734%0.34136%0.359SS..  trans-120.5120.3168.1173.6-102.5000109E29 R582 P585Y27-E29 HydrophobicContact CE1-CB 4.28Å; Y27-R582 WeakPolarHBondContact CD2-O 3.23Å; Y27-P585 HydrophobicContact CD1-CB 4.08Å; Y27-P585 HydrophobicContact CD1-CG 4.44Å; Y27-P585 HydrophobicContact CD2-CB 3.91Å; Y27-P585 HydrophobicContact CD2-CG 4.12Å; Y27-P585 HydrophobicContact CE1-CB 4.28Å; Y27-P585 HydrophobicContact CE1-CG 4.15Å; Y27-P585 HydrophobicContact CE2-CB 4.12Å; Y27-P585 HydrophobicContact CE2-CG 3.81Å; Y27-P585 HydrophobicContact CG-CB 3.88Å; Y27-P585 HydrophobicContact CG-CG 4.43Å
28N82Confident90.8Very high100 Ų10071.7 Ų71.754%0.53537%0.369SS..  trans-129.1114.5172.9-71.8-47.7000108.1F30N28-F30 PolarHBondContact O-N 3.02Å
29E83.8Confident90.7Very high134 Ų13465.9 Ų65.963%0.62634%0.344SS*.  trans-62.8128174.8-167.9177.3172.600109.4Y27 Q567Y27-E29 HydrophobicContact CE1-CB 4.28Å; E29-Q567 PolarHBondContact OE1-NE2 2.98Å
30F89.5Confident90.7Very high45 Ų4564.9 Ų64.920%0.19734%0.341CS..  trans-136.6129.8-177.4179-98.3000111.6N28 K32 Q567 S569 V571 Q572N28-F30 PolarHBondContact O-N 3.02Å; F30-K32 HydrophobicContact CE1-CB 4.35Å; F30-Q567 WeakPolarHBondContact O-CA 3.49Å; F30-Q567 WeakPolarHBondContact O-CG 3.41Å; F30-S569 VanDerWaalsContact CE1-OG 3.3Å; F30-S569 WeakPolarHBondContact CE1-OG 3.48Å; F30-V571 HydrophobicContact CE1-CB 3.68Å; F30-V571 HydrophobicContact CE1-CG1 4.16Å; F30-V571 HydrophobicContact CE1-CG2 4.16Å; F30-V571 HydrophobicContact CE2-CG1 4.36Å; F30-V571 HydrophobicContact CZ-CB 3.71Å; F30-V571 HydrophobicContact CZ-CG1 3.65Å; F30-V571 HydrophobicContact CZ-CG2 4.24Å; F30-Q572 HydrophobicContact CB-CG 3.51Å; F30-Q572 HydrophobicContact CD1-CG 3.81Å; F30-Q572 HydrophobicContact CD2-CG 3.6Å; F30-Q572 HydrophobicContact CE1-CG 4.45Å; F30-Q572 HydrophobicContact CE2-CG 4.23Å; F30-Q572 HydrophobicContact CG-CG 3.32Å
31T89.6Confident90.7Very high77 Ų7765.2 Ų65.247%0.47234%0.344SS..  trans-104.5130.9170.6-66.20000109.5S566T31-S566 WeakPolarHBondContact CA-O 3.48Å
32K90.6Very high90.7Very high24 Ų2467.3 Ų67.310%0.10435%0.352CS..  trans-63.9150176.272.1-178.1171.9-175.90111.4F30 V34 D84 S566F30-K32 HydrophobicContact CE1-CB 4.35Å; K32-V34 PolarHBondContact O-N 3.36Å; K32-D84 IonicContact NZ-OD1 3.51Å; K32-D84 IonicContact NZ-OD2 3.76Å; K32-D84 PolarHBondContact NZ-OD2 3.27Å; K32-S566 WeakPolarHBondContact CG-O 3.42Å; K32-S566 PolarHBondContact N-O 2.82Å
33P90.5Very high90.8Very high52 Ų5264.9 Ų64.934%0.33834%0.341SS..  trans-55.7140.4172.9-22.533.2000111.1Y35P33-Y35 HydrophobicContact CB-CE1 4.49Å; P33-Y35 HydrophobicContact CB-CE2 4.22Å
34V90.1Very high90.7Very high125 Ų12569 Ų6976%0.75836%0.357SS*.  trans-116.7127.2172.4-1790000107.9K32K32-V34 PolarHBondContact O-N 3.36Å
35Y91Very high90.7Very high33 Ų3377 Ų7713%0.12939%0.394CS..  trans-99.2147.3-178.1-58.7-74000111.2P33 Q42 I48 G87 Y88 N89P33-Y35 HydrophobicContact CB-CE1 4.49Å; P33-Y35 HydrophobicContact CB-CE2 4.22Å; Y35-Q42 HydrophobicContact CD1-CG 4.37Å; Y35-Q42 HydrophobicContact CE1-CG 4.04Å; Y35-I48 HydrophobicContact CE1-CD1 4.21Å; Y35-I48 HydrophobicContact CE1-CG2 4.24Å; Y35-I48 VanDerWaalsContact OH-CG2 3.29Å; Y35-I48 WeakPolarHBondContact OH-CG2 3.47Å; Y35-G87 PolarHBondContact OH-O 3.31Å; Y35-Y88 VanDerWaalsContact CE2-O 3.32Å; Y35-Y88 WeakPolarHBondContact CE2-O 3.34Å; Y35-N89 HydrophobicContact CD1-CB 4.27Å; Y35-N89 HydrophobicContact CD2-CB 4.41Å; Y35-N89 HydrophobicContact CE1-CB 4.01Å; Y35-N89 HydrophobicContact CE2-CB 4.15Å; Y35-N89 HydrophobicContact CG-CB 4.47Å
36E88.4Confident90.7Very high139 Ų13976.4 Ų76.465%0.6539%0.394SS*.  trans-55.3147.8175.1-67.8-176.2172.600111.5P38 K39 K40E36-P38 CarbonylContact O-C 3.54Å; E36-K39 WeakPolarHBondContact O-CA 3.3Å; E36-K39 WeakPolarHBondContact O-CG 3.26Å; E36-K39 PolarHBondContact O-N 3.1Å; E36-K40 IonicContact OE2-NZ 3.72Å; E36-K40 PolarHBondContact OE2-NZ 3.03Å
37T89.4Confident90.9Very high116 Ų11675.4 Ų75.471%0.71240%0.404SS*.SBendtrans-115.9126.6171-60.10000109.4
38P91.6Very high91.3Very high55 Ų5573.7 Ų73.736%0.35740%0.4SS..SBendcis-67.4142.7-1.1-19.332.6000113.9E36 Y319E36-P38 CarbonylContact O-C 3.54Å; P38-Y319 WeakPolarHBondContact CA-OH 3.44Å; P38-Y319 HydrophobicContact CB-CD1 4.33Å; P38-Y319 HydrophobicContact CB-CE1 3.72Å; P38-Y319 HydrophobicContact CB-CE2 4.25Å
39K93.7Very high92Very high24 Ų2472.2 Ų72.210%0.10439%0.387CS..  trans-64.9137.5-175.8-66.4175.7178.2164.50112.3E36 V90 D137 Y319 W326E36-K39 WeakPolarHBondContact O-CA 3.3Å; E36-K39 WeakPolarHBondContact O-CG 3.26Å; E36-K39 PolarHBondContact O-N 3.1Å; K39-V90 WeakPolarHBondContact CD-O 3.33Å; K39-V90 WeakPolarHBondContact CE-O 3.34Å; K39-V90 PolarHBondContact NZ-O 2.54Å; K39-D137 VanDerWaalsContact CE-OD1 3.3Å; K39-D137 WeakPolarHBondContact CE-OD1 3.32Å; K39-D137 IonicContact NZ-OD1 3.72Å; K39-D137 PolarHBondContact NZ-OD1 3.41Å; K39-D137 IonicContact NZ-OD2 3.19Å; K39-D137 PolarHBondContact NZ-OD2 3.12Å; K39-Y319 PolarHBondContact N-OH 3.34Å; K39-Y319 VanDerWaalsContact N-OH 3.1Å; K39-W326 HydrophobicContact CB-CZ2 4.27Å; K39-W326 PolarHBondContact O-NE1 2.59Å
40K94.9Very high92.6Very high70 Ų7066 Ų6630%0.30436%0.358SS..  trans-116.2147.7173.5-65.3172.1-170149.30110E36 Q42 N89E36-K40 IonicContact OE2-NZ 3.72Å; E36-K40 PolarHBondContact OE2-NZ 3.03Å; K40-Q42 PolarHBondContact O-N 2.9Å; K40-Q42 PolarHBondContact O-NE2 2.67Å; K40-N89 PolarHBondContact O-ND2 3.41Å
41P96Very high93.1Very high9 Ų963.9 Ų63.96%0.05835%0.349CS..PPolyproline II helixtrans-59.6136.7172.1-21.634000111.6N50 Q325 W326 N333 I335P41-N50 WeakPolarHBondContact CA-OD1 3.26Å; P41-Q325 HydrophobicContact CG-CB 3.87Å; P41-Q325 WeakPolarHBondContact CG-O 3.34Å; P41-W326 HydrophobicContact CG-CD2 3.69Å; P41-W326 HydrophobicContact CG-CE3 4.13Å; P41-W326 HydrophobicContact CG-CG 3.97Å; P41-W326 HydrophobicContact CG-CZ2 4.16Å; P41-N333 HydrophobicContact CB-CB 4.17Å; P41-I335 HydrophobicContact CB-CD1 3.67Å; P41-I335 HydrophobicContact CG-CD1 3.72Å
42Q95.3Very high93.5Very high50 Ų5060.2 Ų60.223%0.23433%0.327CS..PPolyproline II helixtrans-78.5144.7171.2-58.5-52.8-53.800110Y35 K40 I48 N50 N89 N333Y35-Q42 HydrophobicContact CD1-CG 4.37Å; Y35-Q42 HydrophobicContact CE1-CG 4.04Å; K40-Q42 PolarHBondContact O-N 2.9Å; K40-Q42 PolarHBondContact O-NE2 2.67Å; Q42-I48 HydrophobicContact CB-CB 4.08Å; Q42-I48 HydrophobicContact CB-CG2 4.24Å; Q42-I48 HydrophobicContact CG-CB 4.2Å; Q42-I48 HydrophobicContact CG-CD1 4.19Å; Q42-I48 HydrophobicContact CG-CG2 3.93Å; Q42-N50 PolarHBondContact N-OD1 3.47Å; Q42-N50 PolarHBondContact O-ND2 3.07Å; Q42-N89 HydrophobicContact CG-CB 4.04Å; Q42-N333 PolarHBondContact O-ND2 2.72Å
43P94.8Very high93.9Very high42 Ų4259.1 Ų59.127%0.27332%0.322SS..PPolyproline II helixtrans-63.6146.4174.1-2333.8000112.7H45 T46P43-H45 WeakPolarHBondContact CB-CE1 3.33Å; P43-H45 WeakPolarHBondContact CB-ND1 3.43Å; P43-H45 PolarHBondContact O-N 3.49Å; P43-H45 VanDerWaalsContact O-N 3.13Å; P43-T46 HydrophobicContact CB-CG2 4.33Å; P43-T46 HydrophobicContact CG-CG2 4.41Å; P43-T46 WeakPolarHBondContact O-CB 3.34Å; P43-T46 WeakPolarHBondContact O-CG2 3.4Å; P43-T46 PolarHBondContact O-N 2.9Å; P43-T46 PolarHBondContact O-OG1 3.23Å
44K93.2Very high94.3Very high109 Ų10956.6 Ų56.647%0.47431%0.306SS..G310 helixtrans-51.1-38.1178.1-76.1172.71741710113.8T46 G47 D331 N332 E334K44-T46 PolarHBondContact O-N 3.31Å; K44-T46 VanDerWaalsContact O-N 3.14Å; K44-G47 PolarHBondContact O-N 3.41Å; K44-G47 VanDerWaalsContact O-N 3.11Å; K44-D331 WeakPolarHBondContact CD-O 3.4Å; K44-D331 WeakPolarHBondContact CE-O 3.46Å; K44-D331 PolarHBondContact NZ-O 2.57Å; K44-N332 WeakPolarHBondContact CG-O 3.24Å; K44-N332 PolarHBondContact N-O 2.63Å; K44-E334 HydrophobicContact CG-CB 4.23Å
45H93.8Very high94.7Very high168 Ų16850.7 Ų50.778%0.77827%0.27SS*.G310 helixtrans-66.2-14.6-178.468.6-99.1000114.3P43 G47P43-H45 WeakPolarHBondContact CB-CE1 3.33Å; P43-H45 WeakPolarHBondContact CB-ND1 3.43Å; P43-H45 PolarHBondContact O-N 3.49Å; P43-H45 VanDerWaalsContact O-N 3.13Å; H45-G47 VanDerWaalsContact C-N 3.27Å
46T93.1Very high95Very high57 Ų5749.3 Ų49.335%0.3527%0.266SS..G310 helixtrans-75.3-18175.365.50000112.7P43 K44 I48P43-T46 HydrophobicContact CB-CG2 4.33Å; P43-T46 HydrophobicContact CG-CG2 4.41Å; P43-T46 WeakPolarHBondContact O-CB 3.34Å; P43-T46 WeakPolarHBondContact O-CG2 3.4Å; P43-T46 PolarHBondContact O-N 2.9Å; P43-T46 PolarHBondContact O-OG1 3.23Å; K44-T46 PolarHBondContact O-N 3.31Å; K44-T46 VanDerWaalsContact O-N 3.14Å; T46-I48 PolarHBondContact O-N 2.97Å; T46-I48 PolarHBondContact OG1-N 3.23Å
47G92.2Very high95.5Very high67 Ų6743.7 Ų43.769%0.69124%0.24SC*.  trans71.33.2-172.600000114.6K44 H45K44-G47 PolarHBondContact O-N 3.41Å; K44-G47 VanDerWaalsContact O-N 3.11Å; H45-G47 VanDerWaalsContact C-N 3.27Å
48I93.9Very high95.8Very high52 Ų5239.1 Ų39.127%0.26721%0.212SC..  trans-83126.6178.2-62.3168.2000109.3Y35 Q42 T46 N89Y35-I48 HydrophobicContact CE1-CD1 4.21Å; Y35-I48 HydrophobicContact CE1-CG2 4.24Å; Y35-I48 VanDerWaalsContact OH-CG2 3.29Å; Y35-I48 WeakPolarHBondContact OH-CG2 3.47Å; Q42-I48 HydrophobicContact CB-CB 4.08Å; Q42-I48 HydrophobicContact CB-CG2 4.24Å; Q42-I48 HydrophobicContact CG-CB 4.2Å; Q42-I48 HydrophobicContact CG-CD1 4.19Å; Q42-I48 HydrophobicContact CG-CG2 3.93Å; T46-I48 PolarHBondContact O-N 2.97Å; T46-I48 PolarHBondContact OG1-N 3.23Å; I48-N89 HydrophobicContact CG2-CB 3.92Å
49R96.3Very high96Very high68 Ų6839.2 Ų39.226%0.25721%0.206SC..  trans-72.1131.8173.4-68.2174.368.6-166.21.3110.5V51 Y88 N89 E336 E487R49-V51 HydrophobicContact CB-CG2 4.31Å; R49-Y88 HydrophobicContact CB-CD1 4.05Å; R49-Y88 HydrophobicContact CB-CG 4.25Å; R49-Y88 VanDerWaalsContact NH1-CZ 3.29Å; R49-Y88 PolarHBondContact NH1-OH 2.98Å; R49-N89 PolarHBondContact O-N 3.05Å; R49-E336 IonicContact CZ-OE1 3.4Å; R49-E336 IonicContact CZ-OE2 3.15Å; R49-E336 IonicContact NE-OE1 3.44Å; R49-E336 PolarHBondContact NE-OE1 3.49Å; R49-E336 IonicContact NE-OE2 3.5Å; R49-E336 PolarHBondContact NE-OE2 3.23Å; R49-E336 IonicContact NH2-OE1 2.69Å; R49-E336 IonicContact NH2-OE2 3.14Å; R49-E336 PolarHBondContact NH2-OE2 3.15Å; R49-E487 IonicContact CZ-OE2 2.7Å; R49-E487 IonicContact NH1-OE1 3.02Å; R49-E487 IonicContact NH1-OE2 2.76Å; R49-E487 PolarHBondContact NH1-OE2 3.49Å; R49-E487 IonicContact NH2-OE2 3.17Å
50N97.8Very high96.1Very high4 Ų438.1 Ų38.12%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-98.5108.7170.6-54-63.4000109.4P41 Q42 N89 W326 E334 I335 E336P41-N50 WeakPolarHBondContact CA-OD1 3.26Å; Q42-N50 PolarHBondContact N-OD1 3.47Å; Q42-N50 PolarHBondContact O-ND2 3.07Å; N50-N89 WeakPolarHBondContact CA-O 3.36Å; N50-N89 PolarHBondContact OD1-ND2 3.29Å; N50-W326 HydrophobicContact CB-CH2 4.11Å; N50-W326 HydrophobicContact CB-CZ3 3.83Å; N50-E334 WeakPolarHBondContact CB-O 3.12Å; N50-E334 PolarHBondContact ND2-O 3.46Å; N50-I335 HydrophobicContact CB-CD1 3.78Å; N50-E336 PolarHBondContact O-N 3.06Å
51V98.3Very high95.9Very high1 Ų135 Ų351%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-107.2111.4-175.2-177.60000108.6R49 I53 F79 Y88 N89 V90 L91 F338R49-V51 HydrophobicContact CB-CG2 4.31Å; V51-I53 HydrophobicContact CG1-CD1 4.18Å; V51-I53 HydrophobicContact CG1-CG1 3.86Å; V51-F79 HydrophobicContact CG1-CE1 4.13Å; V51-Y88 HydrophobicContact CG2-CD2 3.94Å; V51-Y88 HydrophobicContact CG2-CG 4.25Å; V51-N89 PolarHBondContact N-O 3.25Å; V51-V90 CarbonylContact O-C 3.31Å; V51-V90 VanDerWaalsContact O-CA 3.26Å; V51-V90 WeakPolarHBondContact O-CA 3.45Å; V51-L91 PolarHBondContact O-N 2.9Å; V51-F338 HydrophobicContact CG1-CD2 3.66Å; V51-F338 HydrophobicContact CG1-CE2 3.82Å
52M98.7Very high95.6Very high0 Ų039.3 Ų39.30%021%0.21CC..EExtended strand (participates in β ladder)trans-96.4125171.7179.3170.2-100.300109L91 T316 W326 W327 I335 E336 L337 F338M52-L91 CarbonylContact C-O 3.59Å; M52-L91 WeakPolarHBondContact CA-O 3.42Å; M52-L91 HydrophobicContact CE-CD2 3.61Å; M52-L91 HydrophobicContact CE-CG 4.29Å; M52-T316 HydrophobicContact CE-CG2 4.13Å; M52-W326 HydrophobicContact CB-CE3 4.16Å; M52-W326 HydrophobicContact CB-CZ3 4.36Å; M52-W326 HydrophobicContact CE-CB 3.35Å; M52-W326 HydrophobicContact CE-CD2 4Å; M52-W326 HydrophobicContact CE-CE3 4.04Å; M52-W326 HydrophobicContact CE-CG 3.74Å; M52-W326 HydrophobicContact SD-CB 4.36Å; M52-W327 HydrophobicContact CE-CZ2 4.37Å; M52-W327 HydrophobicContact SD-CD2 4.21Å; M52-W327 VanDerWaalsContact SD-CE2 3.58Å; M52-W327 HydrophobicContact SD-CH2 4.19Å; M52-W327 HydrophobicContact SD-CZ2 3.57Å; M52-W327 VanDerWaalsContact SD-CZ2 3.57Å; M52-I335 HydrophobicContact CB-CG2 3.83Å; M52-E336 PolarHBondContact N-O 3.08Å; M52-L337 HydrophobicContact CB-CD1 4.14Å; M52-L337 HydrophobicContact CG-CD1 3.76Å; M52-L337 CarbonylContact O-C 3.6Å; M52-L337 WeakPolarHBondContact O-CA 3.3Å; M52-L337 HydrophobicContact SD-CD1 4.11Å; M52-F338 PolarHBondContact O-N 3.41Å
53I98.9Very high95.5Very high0 Ų038 Ų380%021%0.205CC..EExtended strand (participates in β ladder)trans-116.1126-178.9-59.6171.4000108.6V51 A76 F79 A80 V90 L91 S92 I93 F338 F340V51-I53 HydrophobicContact CG1-CD1 4.18Å; V51-I53 HydrophobicContact CG1-CG1 3.86Å; I53-A76 HydrophobicContact CG2-CB 3.94Å; I53-F79 HydrophobicContact CD1-CD1 3.56Å; I53-F79 HydrophobicContact CD1-CE1 4.13Å; I53-F79 HydrophobicContact CD1-CG 4.48Å; I53-F79 HydrophobicContact CG1-CD1 4.1Å; I53-F79 HydrophobicContact CG1-CE1 4.43Å; I53-A80 VanDerWaalsContact CD1-CA 3.44Å; I53-A80 HydrophobicContact CD1-CB 3.64Å; I53-V90 HydrophobicContact CD1-CG2 3.55Å; I53-V90 HydrophobicContact CG1-CG2 4.22Å; I53-L91 PolarHBondContact N-O 3.37Å; I53-S92 CarbonylContact O-C 3.46Å; I53-S92 WeakPolarHBondContact O-CA 3.49Å; I53-I93 PolarHBondContact O-N 2.82Å; I53-F338 WeakPolarHBondContact CA-O 3.48Å; I53-F338 HydrophobicContact CG1-CB 4.3Å; I53-F340 HydrophobicContact CG2-CD2 3.88Å; I53-F340 HydrophobicContact CG2-CE2 3.91Å
54T98.9Very high95.5Very high0 Ų036.1 Ų36.10%019%0.193CC..EExtended strand (participates in β ladder)trans-117.6134.4168.1650000110.5I93 Y312 W327 L337 F338 Q339 F340T54-I93 WeakPolarHBondContact CA-O 3.43Å; T54-Y312 HydrophobicContact CG2-CD1 3.87Å; T54-Y312 HydrophobicContact CG2-CG 3.98Å; T54-W327 HydrophobicContact CG2-CH2 4.37Å; T54-W327 HydrophobicContact CG2-CZ2 4.27Å; T54-L337 HydrophobicContact CG2-CD1 4.03Å; T54-F338 PolarHBondContact N-O 3.33Å; T54-Q339 WeakPolarHBondContact O-CA 3.4Å; T54-Q339 VanDerWaalsContact OG1-CG 3.31Å; T54-Q339 WeakPolarHBondContact OG1-CG 3.4Å; T54-Q339 PolarHBondContact OG1-NE2 3.33Å; T54-Q339 VanDerWaalsContact OG1-NE2 3.13Å; T54-F340 PolarHBondContact O-N 3.1Å
55S98.7Very high95.6Very high0 Ų032.8 Ų32.80%018%0.179CC..EExtended strand (participates in β ladder)trans-95.8141.8162.4171.50000109.4L57 S72 T73 I93 C94 Y312S55-L57 PolarHBondContact O-N 2.82Å; S55-S72 VanDerWaalsContact OG-C 3.32Å; S55-S72 WeakPolarHBondContact OG-CB 3.24Å; S55-T73 VanDerWaalsContact OG-CA 3.31Å; S55-T73 WeakPolarHBondContact OG-CA 3.44Å; S55-T73 VanDerWaalsContact OG-CG2 3.31Å; S55-T73 WeakPolarHBondContact OG-CG2 3.19Å; S55-T73 PolarHBondContact OG-N 2.96Å; S55-I93 PolarHBondContact N-O 3.49Å; S55-C94 PolarHBondContact O-SG 2.95Å; S55-C94 VanDerWaalsContact O-SG 3.39Å; S55-Y312 WeakPolarHBondContact O-CE1 3.32Å
56A97.9Very high95.8Very high5 Ų524.8 Ų24.84%0.04114%0.142CC..  trans-44.3131.9169.800000110.7P58 Y312 F340 M341A56-P58 WeakPolarHBondContact O-CD 3.37Å; A56-Y312 WeakPolarHBondContact CA-OH 3.16Å; A56-F340 PolarHBondContact N-O 3.43Å; A56-M341 HydrophobicContact CB-CB 3.82Å
57L98.2Very high96Very high20 Ų2022.5 Ų22.511%0.10513%0.13CC..  trans-69.8112.2-177.5-55.2-175.8000109.2S55 Y59 G95 D97 T142 A308 Y312 I315S55-L57 PolarHBondContact O-N 2.82Å; L57-Y59 PolarHBondContact O-N 2.86Å; L57-G95 WeakPolarHBondContact CA-O 3.45Å; L57-D97 HydrophobicContact CB-CB 3.93Å; L57-T142 HydrophobicContact CD1-CG2 3.81Å; L57-A308 WeakPolarHBondContact CD1-O 3.29Å; L57-Y312 HydrophobicContact CD1-CE1 4.32Å; L57-Y312 HydrophobicContact CD2-CD1 3.84Å; L57-Y312 HydrophobicContact CD2-CE1 3.51Å; L57-Y312 HydrophobicContact CG-CD1 4.2Å; L57-Y312 HydrophobicContact CG-CE1 3.59Å; L57-I315 HydrophobicContact CD1-CD1 4.22Å; L57-I315 HydrophobicContact CD2-CD1 3.77Å
58P97.1Very high96.1Very high20 Ų2022.6 Ų22.613%0.1312%0.115CC..  trans-58.1132.5172.923.5-38.6000111.3A56 V60 G95 T96 D97 Y129 F139A56-P58 WeakPolarHBondContact O-CD 3.37Å; P58-V60 PolarHBondContact O-N 3.19Å; P58-G95 WeakPolarHBondContact CD-O 3.07Å; P58-T96 HydrophobicContact CG-CG2 4.44Å; P58-T96 WeakPolarHBondContact O-CA 3.34Å; P58-D97 PolarHBondContact O-N 3.04Å; P58-Y129 WeakPolarHBondContact CB-OH 3.38Å; P58-Y129 HydrophobicContact CG-CE2 4.14Å; P58-Y129 WeakPolarHBondContact CG-OH 3.35Å; P58-F139 HydrophobicContact CG-CZ 4.24Å
59Y94.9Very high96.3Very high58 Ų5820.1 Ų20.123%0.22710%0.102CC..BIsolated β-bridgetrans-65.1120.5171.6-177.1-112000110.5L57 N61 N62 D97 A102 T103L57-Y59 PolarHBondContact O-N 2.86Å; Y59-N61 VanDerWaalsContact C-N 3.34Å; Y59-N61 HydrophobicContact CD1-CB 4.42Å; Y59-N61 HydrophobicContact CE1-CB 3.76Å; Y59-N61 VanDerWaalsContact CZ-ND2 3.35Å; Y59-N61 PolarHBondContact O-N 3.35Å; Y59-N61 PolarHBondContact OH-ND2 3.36Å; Y59-N62 PolarHBondContact O-N 3.02Å; Y59-D97 WeakPolarHBondContact CD2-O 3.09Å; Y59-A102 HydrophobicContact CE1-CB 3.95Å; Y59-A102 WeakPolarHBondContact OH-CA 3.32Å; Y59-A102 WeakPolarHBondContact OH-CB 3.48Å; Y59-T103 WeakPolarHBondContact OH-CA 3.34Å; Y59-T103 PolarHBondContact OH-N 2.97Å; Y59-T103 PolarHBondContact OH-OG1 3.4Å
60V95.8Very high96.4Very high0 Ų016.9 Ų16.90%09%0.09CC..THydrogen-bonded Turntrans-61.3-37.5-162.873.90000113.5P58 N62 T96 D97 E98 C118 F121 H122 H125P58-V60 PolarHBondContact O-N 3.19Å; V60-N62 PolarHBondContact O-N 2.89Å; V60-N62 VanDerWaalsContact O-N 3.09Å; V60-T96 HydrophobicContact CB-CG2 4.17Å; V60-T96 HydrophobicContact CG2-CG2 3.84Å; V60-D97 WeakPolarHBondContact CB-O 3.17Å; V60-D97 PolarHBondContact N-O 3.43Å; V60-E98 HydrophobicContact CB-CG 3.88Å; V60-E98 HydrophobicContact CG1-CB 4.24Å; V60-E98 HydrophobicContact CG1-CG 3.89Å; V60-E98 HydrophobicContact CG2-CG 4.14Å; V60-C118 HydrophobicContact CG1-CB 4.43Å; V60-F121 HydrophobicContact CG2-CB 3.79Å; V60-F121 WeakPolarHBondContact O-CB 3.34Å; V60-F121 WeakPolarHBondContact O-CD1 3.48Å; V60-F121 WeakPolarHBondContact O-CG 3.46Å; V60-H122 HydrophobicContact CG2-CB 4.2Å; V60-H125 PolarHBondContact O-NE2 3.01Å
61N90.2Very high96.3Very high5 Ų516.9 Ų16.93%0.0279%0.091CC..THydrogen-bonded Turntrans-80.13.4-167.4-60.3-56.5000114.6Y59 T103 K106Y59-N61 VanDerWaalsContact C-N 3.34Å; Y59-N61 HydrophobicContact CD1-CB 4.42Å; Y59-N61 HydrophobicContact CE1-CB 3.76Å; Y59-N61 VanDerWaalsContact CZ-ND2 3.35Å; Y59-N61 PolarHBondContact O-N 3.35Å; Y59-N61 PolarHBondContact OH-ND2 3.36Å; N61-T103 WeakPolarHBondContact ND2-CA 3.36Å; N61-T103 VanDerWaalsContact ND2-CB 3.3Å; N61-T103 WeakPolarHBondContact ND2-CB 3.29Å; N61-T103 VanDerWaalsContact ND2-CG2 3.35Å; N61-T103 WeakPolarHBondContact ND2-CG2 3.34Å; N61-T103 PolarHBondContact ND2-OG1 2.92Å; N61-K106 HydrophobicContact CB-CB 4.35Å; N61-K106 HydrophobicContact CB-CG 4.24Å
62N89.3Confident96.2Very high99 Ų9917.5 Ų17.553%0.52910%0.095SC..SBendtrans-117.5125.3178.7-69.1-27.4000109.7Y59 V60 H125Y59-N62 PolarHBondContact O-N 3.02Å; V60-N62 PolarHBondContact O-N 2.89Å; V60-N62 VanDerWaalsContact O-N 3.09Å; N62-H125 PolarHBondContact O-CE1 2.87Å; N62-H125 PolarHBondContact O-NE2 3.4Å; N62-H125 VanDerWaalsContact O-NE2 3.07Å
63V94.1Very high96.2Very high22 Ų2217.5 Ų17.513%0.13310%0.095CC..PPolyproline II helixtrans-58.2126.3169.5-170.20000108.5H65 F121 L124 I128 F392 D394V63-H65 PolarHBondContact O-N 3.47Å; V63-F121 HydrophobicContact CG2-CE1 4.02Å; V63-L124 HydrophobicContact CG1-CD2 4.37Å; V63-L124 HydrophobicContact CG2-CD2 3.76Å; V63-I128 HydrophobicContact CG1-CD1 3.78Å; V63-F392 HydrophobicContact CB-CD1 4.17Å; V63-F392 HydrophobicContact CG1-CB 4.14Å; V63-F392 HydrophobicContact CG1-CD1 4.36Å; V63-F392 VanDerWaalsContact O-CD1 3.29Å; V63-F392 WeakPolarHBondContact O-CD1 3.48Å; V63-D394 HydrophobicContact CG1-CB 4.41Å; V63-D394 WeakPolarHBondContact CG1-OD1 3.49Å
64P95.2Very high96.2Very high3 Ų317.5 Ų17.52%0.01910%0.095CC..PPolyproline II helixtrans-70132.6-177.427.7-33000109.9N68 M69 I128 Y129 G393P64-N68 HydrophobicContact CB-CB 4.33Å; P64-M69 HydrophobicContact CB-CG 4.37Å; P64-I128 HydrophobicContact CG-CD1 4.04Å; P64-I128 HydrophobicContact CG-CG2 4.23Å; P64-Y129 HydrophobicContact CG-CE1 4.17Å; P64-G393 PolarHBondContact O-N 3.17Å
65H95.4Very high96.2Very high39 Ų3917.5 Ų17.518%0.18110%0.095CC..BIsolated β-bridgetrans-90168.9169.860.873.3000111.9V63 G67 N68 M69 F383 F392V63-H65 PolarHBondContact O-N 3.47Å; H65-G67 WeakPolarHBondContact ND1-CA 3.43Å; H65-G67 PolarHBondContact ND1-N 3.28Å; H65-G67 VanDerWaalsContact ND1-N 3.15Å; H65-G67 PolarHBondContact O-N 3.29Å; H65-N68 PolarHBondContact CD2-OD1 3.13Å; H65-N68 VanDerWaalsContact CE1-CG 3.47Å; H65-N68 PolarHBondContact CE1-N 2.84Å; H65-N68 PolarHBondContact CE1-ND2 3.07Å; H65-N68 VanDerWaalsContact CE1-ND2 3.33Å; H65-N68 PolarHBondContact CE1-OD1 2.81Å; H65-N68 PolarHBondContact N-OD1 2.71Å; H65-N68 PolarHBondContact ND1-N 3.25Å; H65-N68 PolarHBondContact NE2-ND2 2.9Å; H65-N68 PolarHBondContact NE2-OD1 3.36Å; H65-N68 VanDerWaalsContact NE2-OD1 3.16Å; H65-N68 PolarHBondContact O-N 2.83Å; H65-M69 PolarHBondContact O-N 3.13Å; H65-F383 HydrophobicContact CB-CB 4.23Å; H65-F383 HydrophobicContact CB-CD1 3.58Å; H65-F383 HydrophobicContact CB-CE1 4.07Å; H65-F383 HydrophobicContact CB-CG 3.94Å; H65-F383 AromaticContact CE1-CD2 3.81Å; H65-F383 AromaticContact CE1-CG 3.99Å; H65-F383 AromaticContact CG-CD1 3.81Å; H65-F383 AromaticContact CG-CG 3.62Å; H65-F383 AromaticContact ND1-CD1 3.96Å; H65-F383 AromaticContact ND1-CD2 3.52Å; H65-F383 AromaticContact ND1-CE2 3.97Å; H65-F383 AromaticContact ND1-CG 3.53Å; H65-F392 HydrophobicContact CB-CD1 3.77Å; H65-F392 HydrophobicContact CB-CE1 3.75Å; H65-F392 HydrophobicContact CB-CG 4.22Å; H65-F392 HydrophobicContact CB-CZ 4.16Å
66L97.3Very high96.2Very high0 Ų017.5 Ų17.50%010%0.095CC..Hα-helixtrans-53.4-41.9-178.6-58-172.7000112.3N68 M69 I70 F132 F383 V391 W406 L410 F422L66-N68 PolarHBondContact O-N 3.15Å; L66-M69 HydrophobicContact CD2-CE 3.5Å; L66-M69 PolarHBondContact O-N 3.1Å; L66-I70 WeakPolarHBondContact O-CG2 3.5Å; L66-I70 PolarHBondContact O-N 3.04Å; L66-F132 HydrophobicContact CD2-CE1 4.46Å; L66-F132 HydrophobicContact CD2-CZ 3.86Å; L66-F383 HydrophobicContact CB-CE1 4.22Å; L66-F383 HydrophobicContact CB-CZ 3.99Å; L66-V391 HydrophobicContact CD1-CB 3.77Å; L66-V391 HydrophobicContact CD1-CG1 4.02Å; L66-V391 HydrophobicContact CD1-CG2 4.46Å; L66-V391 HydrophobicContact CD2-CG1 4.12Å; L66-V391 HydrophobicContact CG-CB 3.97Å; L66-V391 HydrophobicContact CG-CG1 4.1Å; L66-V391 PolarHBondContact N-O 3.32Å; L66-W406 HydrophobicContact CD1-CE3 3.98Å; L66-W406 HydrophobicContact CD1-CZ3 3.74Å; L66-L410 HydrophobicContact CB-CD1 4.31Å; L66-L410 HydrophobicContact CB-CD2 3.88Å; L66-L410 HydrophobicContact CD1-CD2 4.13Å; L66-L410 HydrophobicContact CD2-CD1 4.27Å; L66-F422 HydrophobicContact CD1-CD2 3.72Å; L66-F422 HydrophobicContact CD1-CE2 3.81Å; L66-F422 HydrophobicContact CD1-CG 4.34Å; L66-F422 HydrophobicContact CD1-CZ 4.48Å
67G96.5Very high96.3Very high10 Ų1017.4 Ų17.410%0.1039%0.094CC..Hα-helixtrans-57.8-37.7174.100000115.3H65 G71H65-G67 WeakPolarHBondContact ND1-CA 3.43Å; H65-G67 PolarHBondContact ND1-N 3.28Å; H65-G67 VanDerWaalsContact ND1-N 3.15Å; H65-G67 PolarHBondContact O-N 3.29Å; G67-G71 PolarHBondContact O-N 3.3Å
68N95.2Very high96.3Very high69 Ų6916.4 Ų16.437%0.3699%0.089SC..Hα-helixtrans-68-41.9176.4-54.5126.8000111P64 H65 L66 S72P64-N68 HydrophobicContact CB-CB 4.33Å; H65-N68 PolarHBondContact CD2-OD1 3.13Å; H65-N68 VanDerWaalsContact CE1-CG 3.47Å; H65-N68 PolarHBondContact CE1-N 2.84Å; H65-N68 PolarHBondContact CE1-ND2 3.07Å; H65-N68 VanDerWaalsContact CE1-ND2 3.33Å; H65-N68 PolarHBondContact CE1-OD1 2.81Å; H65-N68 PolarHBondContact N-OD1 2.71Å; H65-N68 PolarHBondContact ND1-N 3.25Å; H65-N68 PolarHBondContact NE2-ND2 2.9Å; H65-N68 PolarHBondContact NE2-OD1 3.36Å; H65-N68 VanDerWaalsContact NE2-OD1 3.16Å; H65-N68 PolarHBondContact O-N 2.83Å; L66-N68 PolarHBondContact O-N 3.15Å; N68-S72 PolarHBondContact O-N 2.96Å; N68-S72 PolarHBondContact O-OG 3.31Å
69M97.2Very high96.4Very high0 Ų015.5 Ų15.50%08%0.083CC..Hα-helixtrans-66.6-51.6-177.9-67-173.6-70.700111.3P64 H65 L66 G71 S72 T73 L74 I128 Y129 F132P64-M69 HydrophobicContact CB-CG 4.37Å; H65-M69 PolarHBondContact O-N 3.13Å; L66-M69 HydrophobicContact CD2-CE 3.5Å; L66-M69 PolarHBondContact O-N 3.1Å; M69-G71 VanDerWaalsContact C-N 3.28Å; M69-G71 PolarHBondContact O-N 2.69Å; M69-S72 CarbonylContact O-C 3.58Å; M69-S72 PolarHBondContact O-N 3.32Å; M69-T73 PolarHBondContact O-N 3.48Å; M69-T73 VanDerWaalsContact O-N 3.16Å; M69-L74 WeakPolarHBondContact O-CB 3.24Å; M69-L74 PolarHBondContact O-N 3.42Å; M69-I128 HydrophobicContact SD-CG2 4Å; M69-Y129 HydrophobicContact CG-CE1 4.1Å; M69-Y129 HydrophobicContact SD-CD1 4.48Å; M69-Y129 HydrophobicContact SD-CE1 4.34Å; M69-F132 HydrophobicContact CE-CD2 4.13Å; M69-F132 HydrophobicContact CE-CE1 4.03Å; M69-F132 HydrophobicContact CE-CE2 3.59Å; M69-F132 HydrophobicContact CE-CZ 3.53Å; M69-F132 HydrophobicContact SD-CD1 4.48Å; M69-F132 HydrophobicContact SD-CD2 3.82Å; M69-F132 HydrophobicContact SD-CE2 3.91Å; M69-F132 HydrophobicContact SD-CG 4.14Å; M69-F132 HydrophobicContact SD-CZ 4.27Å
70I98.3Very high96.6Very high0 Ų013.1 Ų13.10%08%0.075CC..Hα-helixtrans-63.3-35.6-179.5-171.454.6000112.2L66 S72 L74 S75 M376 L410 L411 R414L66-I70 WeakPolarHBondContact O-CG2 3.5Å; L66-I70 PolarHBondContact O-N 3.04Å; I70-S72 PolarHBondContact O-N 3.3Å; I70-L74 HydrophobicContact CD1-CD2 4.03Å; I70-L74 HydrophobicContact CD1-CG 4.48Å; I70-S75 PolarHBondContact O-OG 3.02Å; I70-M376 HydrophobicContact CB-CE 4.37Å; I70-M376 HydrophobicContact CG1-CE 4.13Å; I70-M376 HydrophobicContact CG2-CB 3.99Å; I70-M376 HydrophobicContact CG2-CE 3.81Å; I70-M376 HydrophobicContact CG2-SD 3.85Å; I70-L410 HydrophobicContact CB-CB 4.26Å; I70-L410 HydrophobicContact CD1-CB 3.98Å; I70-L410 VanDerWaalsContact CD1-O 3.32Å; I70-L410 WeakPolarHBondContact CD1-O 3.27Å; I70-L410 HydrophobicContact CG1-CB 4.17Å; I70-L410 WeakPolarHBondContact CG1-O 3.41Å; I70-L411 HydrophobicContact CD1-CD2 3.78Å; I70-L411 HydrophobicContact CD1-CG 4.09Å; I70-R414 HydrophobicContact CD1-CB 4.15Å; I70-R414 HydrophobicContact CD1-CG 4Å; I70-R414 HydrophobicContact CG1-CB 4.33Å; I70-R414 HydrophobicContact CG1-CG 4.12Å
71G96.4Very high96.7Very high3 Ų314.5 Ų14.53%0.0318%0.082CC..Hα-helixtrans-74-11.5179.400000114.6G67 M69 M341 A342 T373G67-G71 PolarHBondContact O-N 3.3Å; M69-G71 VanDerWaalsContact C-N 3.28Å; M69-G71 PolarHBondContact O-N 2.69Å; G71-M341 CarbonylContact O-C 3.51Å; G71-M341 WeakPolarHBondContact O-CA 3.42Å; G71-M341 VanDerWaalsContact O-O 3.05Å; G71-A342 PolarHBondContact O-N 3.32Å; G71-T373 WeakPolarHBondContact CA-OG1 3.49Å
72S97.4Very high97.1Very high14 Ų1414.2 Ų14.210%0.0988%0.081CC..THydrogen-bonded Turntrans-144.9-84.5-176.764.20000112.5S55 N68 M69 I70 L74 S75 A76S55-S72 VanDerWaalsContact OG-C 3.32Å; S55-S72 WeakPolarHBondContact OG-CB 3.24Å; N68-S72 PolarHBondContact O-N 2.96Å; N68-S72 PolarHBondContact O-OG 3.31Å; M69-S72 CarbonylContact O-C 3.58Å; M69-S72 PolarHBondContact O-N 3.32Å; I70-S72 PolarHBondContact O-N 3.3Å; S72-L74 PolarHBondContact O-N 3.48Å; S72-S75 PolarHBondContact O-N 3.3Å; S72-A76 WeakPolarHBondContact O-CB 3.42Å; S72-A76 PolarHBondContact O-N 3.06Å
73T98.6Very high97.5Very high0 Ų09.5 Ų9.50%06%0.056CC..Hα-helixtrans-64.2-40.8-164.758.20000113.4S55 M69 N77 Y129 F136S55-T73 VanDerWaalsContact OG-CA 3.31Å; S55-T73 WeakPolarHBondContact OG-CA 3.44Å; S55-T73 VanDerWaalsContact OG-CG2 3.31Å; S55-T73 WeakPolarHBondContact OG-CG2 3.19Å; S55-T73 PolarHBondContact OG-N 2.96Å; M69-T73 PolarHBondContact O-N 3.48Å; M69-T73 VanDerWaalsContact O-N 3.16Å; T73-N77 VanDerWaalsContact O-CB 3.31Å; T73-N77 WeakPolarHBondContact O-CB 3.33Å; T73-N77 PolarHBondContact O-N 3.46Å; T73-Y129 HydrophobicContact CG2-CE1 4.26Å; T73-F136 HydrophobicContact CG2-CE2 4.34Å; T73-F136 HydrophobicContact CG2-CZ 4.18Å
74L98.7Very high97.6Very high0 Ų010.6 Ų10.60%06%0.061CC..Hα-helixtrans-68.9-44177.5179.457.8000111.3M69 I70 S72 A76 N77 V78 I134 R407 L410 L411M69-L74 WeakPolarHBondContact O-CB 3.24Å; M69-L74 PolarHBondContact O-N 3.42Å; I70-L74 HydrophobicContact CD1-CD2 4.03Å; I70-L74 HydrophobicContact CD1-CG 4.48Å; S72-L74 PolarHBondContact O-N 3.48Å; L74-A76 PolarHBondContact O-N 2.84Å; L74-N77 PolarHBondContact O-N 2.78Å; L74-V78 HydrophobicContact CD1-CG2 4.25Å; L74-V78 WeakPolarHBondContact O-CG2 3.39Å; L74-V78 PolarHBondContact O-N 3.07Å; L74-I134 HydrophobicContact CB-CD1 3.91Å; L74-I134 HydrophobicContact CD1-CD1 4.25Å; L74-I134 HydrophobicContact CD1-CG1 4.1Å; L74-R407 HydrophobicContact CD1-CB 4.33Å; L74-R407 HydrophobicContact CD1-CG 3.93Å; L74-R407 VanDerWaalsContact CD1-NH1 3.34Å; L74-L410 HydrophobicContact CD2-CB 4Å; L74-L410 HydrophobicContact CD2-CD1 3.99Å; L74-L411 HydrophobicContact CD1-CD1 4.37Å; L74-L411 HydrophobicContact CD2-CD1 4.44Å; L74-L411 HydrophobicContact CD2-CG 4.25Å; L74-L411 HydrophobicContact CG-CD1 4.35Å; L74-L411 HydrophobicContact CG-CD2 4.41Å; L74-L411 HydrophobicContact CG-CG 4.38Å
75S98.8Very high97.7Very high0 Ų010.5 Ų10.50%06%0.06CC..Hα-helixtrans-60.9-45.5177.4-71.70000111.7I70 S72 V78 F79 R414I70-S75 PolarHBondContact O-OG 3.02Å; S72-S75 PolarHBondContact O-N 3.3Å; S75-V78 PolarHBondContact O-N 3.45Å; S75-F79 PolarHBondContact O-N 2.84Å; S75-R414 PolarHBondContact OG-NE 3.22Å
76A98.8Very high97.8Very high0 Ų09 Ų90%05%0.054CC..Hα-helixtrans-61.9-44177.500000112.1I53 S72 L74 F79 A80 F136 F340I53-A76 HydrophobicContact CG2-CB 3.94Å; S72-A76 WeakPolarHBondContact O-CB 3.42Å; S72-A76 PolarHBondContact O-N 3.06Å; L74-A76 PolarHBondContact O-N 2.84Å; A76-F79 PolarHBondContact O-N 2.93Å; A76-A80 WeakPolarHBondContact O-CB 3.39Å; A76-A80 PolarHBondContact O-N 3.34Å; A76-F136 HydrophobicContact CB-CE1 4.21Å; A76-F340 HydrophobicContact CB-CB 3.89Å; A76-F340 HydrophobicContact CB-CD2 3.81Å; A76-F340 HydrophobicContact CB-CG 3.83Å
77N98.7Very high97.7Very high3 Ų39.5 Ų9.52%0.0166%0.059CC..Hα-helixtrans-65.5-40.4-180169.5-103.3000112.3T73 L74 F79 A80 L81 Q133 I134 E135 R407T73-N77 VanDerWaalsContact O-CB 3.31Å; T73-N77 WeakPolarHBondContact O-CB 3.33Å; T73-N77 PolarHBondContact O-N 3.46Å; L74-N77 PolarHBondContact O-N 2.78Å; N77-F79 VanDerWaalsContact C-N 3.34Å; N77-F79 PolarHBondContact O-N 3.38Å; N77-A80 PolarHBondContact O-N 3.47Å; N77-L81 WeakPolarHBondContact O-CG 3.28Å; N77-L81 PolarHBondContact O-N 3.41Å; N77-Q133 PolarHBondContact OD1-O 3.5Å; N77-I134 HydrophobicContact CB-CB 4.47Å; N77-I134 HydrophobicContact CB-CG2 3.91Å; N77-E135 PolarHBondContact ND2-N 2.68Å; N77-E135 VanDerWaalsContact ND2-N 3.13Å; N77-E135 PolarHBondContact ND2-O 2.94Å; N77-R407 PolarHBondContact OD1-NH1 2.87Å; N77-R407 VanDerWaalsContact OD1-NH1 3.11Å; N77-R407 PolarHBondContact OD1-NH2 2.78Å
78V98.8Very high97.8Very high0 Ų010.7 Ų10.70%06%0.061CC..Hα-helixtrans-59.5-46.7175.1171.10000110.6L74 S75 A80 L81 Y82 L411 M486 L491 P547 F548L74-V78 HydrophobicContact CD1-CG2 4.25Å; L74-V78 WeakPolarHBondContact O-CG2 3.39Å; L74-V78 PolarHBondContact O-N 3.07Å; S75-V78 PolarHBondContact O-N 3.45Å; V78-A80 VanDerWaalsContact C-N 3.35Å; V78-A80 PolarHBondContact O-N 2.96Å; V78-L81 PolarHBondContact O-N 3.01Å; V78-Y82 PolarHBondContact O-N 3.48Å; V78-L411 HydrophobicContact CG2-CD1 3.45Å; V78-L411 VanDerWaalsContact CG2-CD1 3.45Å; V78-L411 HydrophobicContact CG2-CD2 3.84Å; V78-L411 HydrophobicContact CG2-CG 4.29Å; V78-M486 HydrophobicContact CG1-CE 4.09Å; V78-L491 HydrophobicContact CB-CD1 4.26Å; V78-L491 HydrophobicContact CG1-CD1 4.15Å; V78-L491 HydrophobicContact CG1-CD2 4.21Å; V78-P547 HydrophobicContact CG1-CB 4.05Å; V78-P547 WeakPolarHBondContact CG2-O 3.16Å; V78-F548 HydrophobicContact CG1-CD1 4.05Å; V78-F548 HydrophobicContact CG1-CE1 3.86Å; V78-F548 HydrophobicContact CG1-CZ 4.21Å
79F98.7Very high97.9Very high1 Ų17.4 Ų7.40%0.0044%0.043CC..Hα-helixtrans-65.3-38.9177.5-172.6-114.6000112V51 I53 S75 A76 N77 L81 Y82 C83 F338 F340 M486 C489V51-F79 HydrophobicContact CG1-CE1 4.13Å; I53-F79 HydrophobicContact CD1-CD1 3.56Å; I53-F79 HydrophobicContact CD1-CE1 4.13Å; I53-F79 HydrophobicContact CD1-CG 4.48Å; I53-F79 HydrophobicContact CG1-CD1 4.1Å; I53-F79 HydrophobicContact CG1-CE1 4.43Å; S75-F79 PolarHBondContact O-N 2.84Å; A76-F79 PolarHBondContact O-N 2.93Å; N77-F79 VanDerWaalsContact C-N 3.34Å; N77-F79 PolarHBondContact O-N 3.38Å; F79-L81 PolarHBondContact O-N 3.43Å; F79-Y82 AromaticContact CD2-CD1 3.95Å; F79-Y82 HydrophobicContact CD2-CD1 3.95Å; F79-Y82 AromaticContact CE2-CD1 3.83Å; F79-Y82 HydrophobicContact CE2-CD1 3.83Å; F79-Y82 HydrophobicContact CE2-CE1 4.12Å; F79-Y82 WeakPolarHBondContact O-CB 3.4Å; F79-Y82 PolarHBondContact O-N 3.26Å; F79-C83 VanDerWaalsContact CE1-SG 3.55Å; F79-C83 PolarHBondContact O-N 3.47Å; F79-C83 PolarHBondContact O-SG 2.74Å; F79-F338 HydrophobicContact CD1-CD1 4.17Å; F79-F338 HydrophobicContact CD1-CG 4.41Å; F79-F338 HydrophobicContact CE1-CB 4.39Å; F79-F338 AromaticContact CE1-CD1 3.42Å; F79-F338 HydrophobicContact CE1-CD1 3.42Å; F79-F338 VanDerWaalsContact CE1-CD1 3.42Å; F79-F338 HydrophobicContact CE1-CD2 4.02Å; F79-F338 AromaticContact CE1-CE1 3.52Å; F79-F338 HydrophobicContact CE1-CE1 3.52Å; F79-F338 HydrophobicContact CE1-CE2 4.11Å; F79-F338 AromaticContact CE1-CG 3.69Å; F79-F338 HydrophobicContact CE1-CG 3.69Å; F79-F338 AromaticContact CE1-CZ 3.87Å; F79-F338 HydrophobicContact CE1-CZ 3.87Å; F79-F338 HydrophobicContact CE2-CE1 4.48Å; F79-F338 AromaticContact CZ-CD1 3.86Å; F79-F338 HydrophobicContact CZ-CD1 3.86Å; F79-F338 AromaticContact CZ-CE1 3.46Å; F79-F338 HydrophobicContact CZ-CE1 3.46Å; F79-F338 VanDerWaalsContact CZ-CE1 3.46Å; F79-F338 HydrophobicContact CZ-CE2 4.33Å; F79-F338 HydrophobicContact CZ-CG 4.46Å; F79-F338 AromaticContact CZ-CZ 3.72Å; F79-F338 HydrophobicContact CZ-CZ 3.72Å; F79-F340 HydrophobicContact CB-CE1 4.33Å; F79-F340 HydrophobicContact CB-CE2 4.16Å; F79-F340 HydrophobicContact CB-CZ 3.56Å; F79-F340 AromaticContact CD1-CE2 3.84Å; F79-F340 HydrophobicContact CD1-CE2 3.84Å; F79-F340 AromaticContact CD1-CZ 3.75Å; F79-F340 HydrophobicContact CD1-CZ 3.75Å; F79-F340 HydrophobicContact CG-CE2 4.28Å; F79-F340 AromaticContact CG-CZ 3.76Å; F79-F340 HydrophobicContact CG-CZ 3.76Å; F79-M486 VanDerWaalsContact CE2-O 3.24Å; F79-M486 WeakPolarHBondContact CE2-O 3.3Å; F79-C489 WeakPolarHBondContact CD2-SG 3.33Å; F79-C489 WeakPolarHBondContact CE2-SG 3.3Å
80A98.6Very high97.9Very high8 Ų87.6 Ų7.67%0.0665%0.045CC..Hα-helixtrans-61.5-44.3176.300000112.9I53 A76 N77 V78 Y82 C83 D84 V90I53-A80 VanDerWaalsContact CD1-CA 3.44Å; I53-A80 HydrophobicContact CD1-CB 3.64Å; A76-A80 WeakPolarHBondContact O-CB 3.39Å; A76-A80 PolarHBondContact O-N 3.34Å; N77-A80 PolarHBondContact O-N 3.47Å; V78-A80 VanDerWaalsContact C-N 3.35Å; V78-A80 PolarHBondContact O-N 2.96Å; A80-Y82 VanDerWaalsContact C-N 3.29Å; A80-Y82 PolarHBondContact O-N 2.94Å; A80-C83 PolarHBondContact O-N 3.49Å; A80-D84 PolarHBondContact O-N 3.12Å; A80-D84 VanDerWaalsContact O-N 3.08Å; A80-V90 HydrophobicContact CB-CG2 4.3Å
81L98.2Very high97.9Very high28 Ų287.6 Ų7.615%0.1475%0.045CC..Hα-helixtrans-63.3-37.2175.5-69.4173.1000111.5N77 V78 F79 D84 L85 Y546 P547 P550N77-L81 WeakPolarHBondContact O-CG 3.28Å; N77-L81 PolarHBondContact O-N 3.41Å; V78-L81 PolarHBondContact O-N 3.01Å; F79-L81 PolarHBondContact O-N 3.43Å; L81-D84 PolarHBondContact O-N 3.26Å; L81-L85 WeakPolarHBondContact O-CG 3.49Å; L81-L85 PolarHBondContact O-N 3.06Å; L81-L85 VanDerWaalsContact O-N 3.16Å; L81-Y546 HydrophobicContact CB-CE1 4.47Å; L81-Y546 HydrophobicContact CD2-CE1 3.88Å; L81-P547 HydrophobicContact CB-CB 4Å; L81-P547 HydrophobicContact CB-CG 4.36Å; L81-P550 HydrophobicContact CD1-CG 3.93Å
82Y98.4Very high98Very high0 Ų07.8 Ų7.80%05%0.045CC..Hα-helixtrans-63.8-47172.3162.6-100.6000112.9V78 F79 A80 D84 L85 A86 Y88 I483 M486 E487 F570V78-Y82 PolarHBondContact O-N 3.48Å; F79-Y82 AromaticContact CD2-CD1 3.95Å; F79-Y82 HydrophobicContact CD2-CD1 3.95Å; F79-Y82 AromaticContact CE2-CD1 3.83Å; F79-Y82 HydrophobicContact CE2-CD1 3.83Å; F79-Y82 HydrophobicContact CE2-CE1 4.12Å; F79-Y82 WeakPolarHBondContact O-CB 3.4Å; F79-Y82 PolarHBondContact O-N 3.26Å; A80-Y82 VanDerWaalsContact C-N 3.29Å; A80-Y82 PolarHBondContact O-N 2.94Å; Y82-D84 PolarHBondContact O-N 2.84Å; Y82-L85 CarbonylContact O-C 3.59Å; Y82-L85 PolarHBondContact O-N 3.01Å; Y82-A86 HydrophobicContact CE1-CB 4.45Å; Y82-A86 HydrophobicContact CE2-CB 4.33Å; Y82-A86 WeakPolarHBondContact O-CB 3.5Å; Y82-A86 PolarHBondContact O-N 3.16Å; Y82-Y88 HydrophobicContact CE1-CE2 4.44Å; Y82-I483 HydrophobicContact CE2-CD1 3.83Å; Y82-M486 HydrophobicContact CD1-CB 3.93Å; Y82-M486 HydrophobicContact CD1-CE 4.43Å; Y82-M486 HydrophobicContact CD2-CB 3.62Å; Y82-M486 HydrophobicContact CD2-CE 3.95Å; Y82-M486 HydrophobicContact CD2-CG 3.88Å; Y82-M486 HydrophobicContact CE1-CB 3.87Å; Y82-M486 HydrophobicContact CE2-CB 3.56Å; Y82-M486 HydrophobicContact CE2-CG 4.14Å; Y82-M486 HydrophobicContact CG-CB 3.81Å; Y82-M486 HydrophobicContact CG-CE 3.62Å; Y82-M486 HydrophobicContact CG-CG 4.26Å; Y82-E487 HydrophobicContact CE1-CG 4.47Å; Y82-E487 WeakPolarHBondContact CE1-OE1 3.41Å; Y82-E487 WeakPolarHBondContact OH-CG 3.49Å; Y82-E487 PolarHBondContact OH-OE1 3.39Å; Y82-F570 HydrophobicContact CD2-CD2 4.38Å; Y82-F570 HydrophobicContact CD2-CE2 4.31Å; Y82-F570 HydrophobicContact CE2-CD2 4.34Å
83C98Very high98.1Very high0 Ų07.1 Ų7.10%04%0.041CC..Hα-helixtrans-58.2-37.9178.4-66.20000111.9F79 A80 A86 G87 Y88 V90F79-C83 VanDerWaalsContact CE1-SG 3.55Å; F79-C83 PolarHBondContact O-N 3.47Å; F79-C83 PolarHBondContact O-SG 2.74Å; A80-C83 PolarHBondContact O-N 3.49Å; C83-A86 PolarHBondContact O-N 3.07Å; C83-G87 PolarHBondContact O-N 3.22Å; C83-G87 VanDerWaalsContact O-N 3.17Å; C83-Y88 HydrophobicContact CB-CD2 3.92Å; C83-Y88 PolarHBondContact O-N 3.29Å; C83-V90 HydrophobicContact CB-CB 3.8Å; C83-V90 HydrophobicContact CB-CG1 4.25Å; C83-V90 HydrophobicContact CB-CG2 3.9Å
84D96.9Very high98.1Very high45 Ų457.1 Ų7.124%0.2414%0.041CC..Hα-helixtrans-62-45.9173.117974000111.9K32 A80 L81 Y82 A86 G87 V90K32-D84 IonicContact NZ-OD1 3.51Å; K32-D84 IonicContact NZ-OD2 3.76Å; K32-D84 PolarHBondContact NZ-OD2 3.27Å; A80-D84 PolarHBondContact O-N 3.12Å; A80-D84 VanDerWaalsContact O-N 3.08Å; L81-D84 PolarHBondContact O-N 3.26Å; Y82-D84 PolarHBondContact O-N 2.84Å; D84-A86 VanDerWaalsContact C-N 3.33Å; D84-A86 PolarHBondContact O-N 3.41Å; D84-G87 PolarHBondContact O-N 3.39Å; D84-G87 VanDerWaalsContact O-N 3.08Å; D84-V90 HydrophobicContact CB-CG1 4.28Å
85L97.3Very high98.1Very high0 Ų07.1 Ų7.10%04%0.041CC..Hα-helixtrans-65.1-34.4175.2-65.7-175.8000113L81 Y82 G87 A543 Y546 P547 M568 F570L81-L85 WeakPolarHBondContact O-CG 3.49Å; L81-L85 PolarHBondContact O-N 3.06Å; L81-L85 VanDerWaalsContact O-N 3.16Å; Y82-L85 CarbonylContact O-C 3.59Å; Y82-L85 PolarHBondContact O-N 3.01Å; L85-G87 PolarHBondContact O-N 3.2Å; L85-A543 WeakPolarHBondContact CD1-O 3.36Å; L85-Y546 HydrophobicContact CD1-CD1 4.05Å; L85-Y546 HydrophobicContact CD2-CD1 4.27Å; L85-Y546 HydrophobicContact CG-CD1 4.32Å; L85-P547 HydrophobicContact CD1-CG 3.9Å; L85-M568 HydrophobicContact CD2-CB 4.28Å; L85-M568 HydrophobicContact CD2-CG 3.69Å; L85-M568 WeakPolarHBondContact CD2-O 3.45Å; L85-M568 HydrophobicContact CD2-SD 3.93Å; L85-F570 HydrophobicContact CB-CD2 3.6Å; L85-F570 HydrophobicContact CB-CE2 3.69Å; L85-F570 HydrophobicContact CB-CG 4.28Å; L85-F570 HydrophobicContact CB-CZ 4.43Å; L85-F570 HydrophobicContact CD1-CD2 4.24Å; L85-F570 HydrophobicContact CD1-CE1 4.47Å; L85-F570 HydrophobicContact CD1-CE2 3.46Å; L85-F570 VanDerWaalsContact CD1-CE2 3.46Å; L85-F570 HydrophobicContact CD1-CZ 3.59Å; L85-F570 HydrophobicContact CG-CE2 4.24Å; L85-F570 PolarHBondContact O-N 2.9Å
86A97Very high98.1Very high8 Ų87.1 Ų7.17%0.0664%0.041CC..THydrogen-bonded Turntrans-73.6-6.317500000112.9Y82 C83 D84 Y88 V571 I574Y82-A86 HydrophobicContact CE1-CB 4.45Å; Y82-A86 HydrophobicContact CE2-CB 4.33Å; Y82-A86 WeakPolarHBondContact O-CB 3.5Å; Y82-A86 PolarHBondContact O-N 3.16Å; C83-A86 PolarHBondContact O-N 3.07Å; D84-A86 VanDerWaalsContact C-N 3.33Å; D84-A86 PolarHBondContact O-N 3.41Å; A86-Y88 HydrophobicContact CB-CD1 4.32Å; A86-Y88 HydrophobicContact CB-CD2 4.07Å; A86-Y88 HydrophobicContact CB-CE1 4.06Å; A86-Y88 HydrophobicContact CB-CE2 3.78Å; A86-Y88 HydrophobicContact CB-CG 4.32Å; A86-V571 WeakPolarHBondContact O-CG2 3.48Å; A86-I574 HydrophobicContact CB-CD1 4.34Å
87G96.2Very high98Very high10 Ų108.2 Ų8.210%0.1035%0.046CC..THydrogen-bonded Turntrans79.316.4178.100000114.3Y35 C83 D84 L85Y35-G87 PolarHBondContact OH-O 3.31Å; C83-G87 PolarHBondContact O-N 3.22Å; C83-G87 VanDerWaalsContact O-N 3.17Å; D84-G87 PolarHBondContact O-N 3.39Å; D84-G87 VanDerWaalsContact O-N 3.08Å; L85-G87 PolarHBondContact O-N 3.2Å
88Y97Very high98Very high35 Ų358 Ų814%0.1375%0.046CC..  trans-75152.8176.7-55.3-25.3000111.3Y35 R49 V51 Y82 C83 A86 V90 E487Y35-Y88 VanDerWaalsContact CE2-O 3.32Å; Y35-Y88 WeakPolarHBondContact CE2-O 3.34Å; R49-Y88 HydrophobicContact CB-CD1 4.05Å; R49-Y88 HydrophobicContact CB-CG 4.25Å; R49-Y88 VanDerWaalsContact NH1-CZ 3.29Å; R49-Y88 PolarHBondContact NH1-OH 2.98Å; V51-Y88 HydrophobicContact CG2-CD2 3.94Å; V51-Y88 HydrophobicContact CG2-CG 4.25Å; Y82-Y88 HydrophobicContact CE1-CE2 4.44Å; C83-Y88 HydrophobicContact CB-CD2 3.92Å; C83-Y88 PolarHBondContact O-N 3.29Å; A86-Y88 HydrophobicContact CB-CD1 4.32Å; A86-Y88 HydrophobicContact CB-CD2 4.07Å; A86-Y88 HydrophobicContact CB-CE1 4.06Å; A86-Y88 HydrophobicContact CB-CE2 3.78Å; A86-Y88 HydrophobicContact CB-CG 4.32Å; Y88-V90 VanDerWaalsContact C-N 3.34Å; Y88-V90 PolarHBondContact O-N 2.72Å; Y88-E487 VanDerWaalsContact CE2-OE1 3.27Å; Y88-E487 WeakPolarHBondContact CE2-OE1 3.43Å; Y88-E487 VanDerWaalsContact CZ-OE1 3.32Å; Y88-E487 PolarHBondContact OH-OE1 2.79Å
89N97.4Very high97.9Very high0 Ų09.1 Ų9.10%05%0.05CC..EExtended strand (participates in β ladder)trans-79.787.9169.2179.433.5000108.9Y35 K40 Q42 I48 R49 N50 V51 W326Y35-N89 HydrophobicContact CD1-CB 4.27Å; Y35-N89 HydrophobicContact CD2-CB 4.41Å; Y35-N89 HydrophobicContact CE1-CB 4.01Å; Y35-N89 HydrophobicContact CE2-CB 4.15Å; Y35-N89 HydrophobicContact CG-CB 4.47Å; K40-N89 PolarHBondContact O-ND2 3.41Å; Q42-N89 HydrophobicContact CG-CB 4.04Å; I48-N89 HydrophobicContact CG2-CB 3.92Å; R49-N89 PolarHBondContact O-N 3.05Å; N50-N89 WeakPolarHBondContact CA-O 3.36Å; N50-N89 PolarHBondContact OD1-ND2 3.29Å; V51-N89 PolarHBondContact N-O 3.25Å; N89-W326 WeakPolarHBondContact ND2-CH2 3.46Å
90V97.9Very high97.5Very high5 Ų59.5 Ų9.53%0.035%0.054CC..EExtended strand (participates in β ladder)trans-92.7127.6-17661.60000111.8K39 V51 I53 A80 C83 D84 Y88K39-V90 WeakPolarHBondContact CD-O 3.33Å; K39-V90 WeakPolarHBondContact CE-O 3.34Å; K39-V90 PolarHBondContact NZ-O 2.54Å; V51-V90 CarbonylContact O-C 3.31Å; V51-V90 VanDerWaalsContact O-CA 3.26Å; V51-V90 WeakPolarHBondContact O-CA 3.45Å; I53-V90 HydrophobicContact CD1-CG2 3.55Å; I53-V90 HydrophobicContact CG1-CG2 4.22Å; A80-V90 HydrophobicContact CB-CG2 4.3Å; C83-V90 HydrophobicContact CB-CB 3.8Å; C83-V90 HydrophobicContact CB-CG1 4.25Å; C83-V90 HydrophobicContact CB-CG2 3.9Å; D84-V90 HydrophobicContact CB-CG1 4.28Å; Y88-V90 VanDerWaalsContact C-N 3.34Å; Y88-V90 PolarHBondContact O-N 2.72Å
91L98.4Very high97Very high0 Ų010.5 Ų10.50%06%0.06CC..EExtended strand (participates in β ladder)trans-116.9112.9167.4176.560.4000109.5V51 M52 I53 I93 D137 T316 Y319 W326V51-L91 PolarHBondContact O-N 2.9Å; M52-L91 CarbonylContact C-O 3.59Å; M52-L91 WeakPolarHBondContact CA-O 3.42Å; M52-L91 HydrophobicContact CE-CD2 3.61Å; M52-L91 HydrophobicContact CE-CG 4.29Å; I53-L91 PolarHBondContact N-O 3.37Å; L91-I93 HydrophobicContact CD1-CD1 3.99Å; L91-I93 HydrophobicContact CD1-CG1 4.32Å; L91-I93 HydrophobicContact CD2-CG1 4.5Å; L91-I93 HydrophobicContact CG-CD1 4.27Å; L91-I93 HydrophobicContact CG-CG1 4.07Å; L91-D137 HydrophobicContact CD1-CB 3.73Å; L91-T316 HydrophobicContact CD2-CG2 4.1Å; L91-Y319 HydrophobicContact CD1-CD1 4.06Å; L91-Y319 HydrophobicContact CD1-CE1 3.56Å; L91-W326 HydrophobicContact CB-CD2 4.37Å; L91-W326 HydrophobicContact CB-CE3 4.4Å; L91-W326 HydrophobicContact CB-CH2 3.83Å; L91-W326 HydrophobicContact CB-CZ2 3.78Å; L91-W326 HydrophobicContact CB-CZ3 4.14Å; L91-W326 HydrophobicContact CD2-CD2 3.68Å; L91-W326 HydrophobicContact CD2-CE3 4.38Å; L91-W326 HydrophobicContact CD2-CG 3.79Å; L91-W326 HydrophobicContact CD2-CZ2 4.12Å
92S98.5Very high96.5Very high6 Ų610.3 Ų10.34%0.0426%0.062CC..EExtended strand (participates in β ladder)trans-106.7121.5-177.3630000111.3I53 F136 D137 Y138I53-S92 CarbonylContact O-C 3.46Å; I53-S92 WeakPolarHBondContact O-CA 3.49Å; S92-F136 WeakPolarHBondContact OG-CA 3.27Å; S92-D137 PolarHBondContact N-OD2 2.69Å; S92-D137 WeakPolarHBondContact O-CB 3.36Å; S92-D137 PolarHBondContact O-N 2.71Å; S92-D137 PolarHBondContact OG-N 3.34Å; S92-D137 PolarHBondContact OG-OD2 2.98Å; S92-Y138 PolarHBondContact O-N 2.8Å
93I98.6Very high96.2Very high0 Ų010.3 Ų10.30%06%0.062CC..EExtended strand (participates in β ladder)trans-126.9133.6-173.3-63-64.7000110.2I53 T54 S55 L91 I315I53-I93 PolarHBondContact O-N 2.82Å; T54-I93 WeakPolarHBondContact CA-O 3.43Å; S55-I93 PolarHBondContact N-O 3.49Å; L91-I93 HydrophobicContact CD1-CD1 3.99Å; L91-I93 HydrophobicContact CD1-CG1 4.32Å; L91-I93 HydrophobicContact CD2-CG1 4.5Å; L91-I93 HydrophobicContact CG-CD1 4.27Å; L91-I93 HydrophobicContact CG-CG1 4.07Å; I93-I315 HydrophobicContact CG2-CB 3.94Å; I93-I315 HydrophobicContact CG2-CG2 3.39Å
94C98.7Very high95.9Very high0 Ų011.4 Ų11.40%07%0.067CC..EExtended strand (participates in β ladder)trans-151.1-177166.6-165.20000109.1S55 F136 Y138 F139 G140 I315S55-C94 PolarHBondContact O-SG 2.95Å; S55-C94 VanDerWaalsContact O-SG 3.39Å; C94-F136 HydrophobicContact CB-CD1 3.76Å; C94-F136 HydrophobicContact CB-CD2 3.73Å; C94-F136 HydrophobicContact CB-CE1 3.6Å; C94-F136 HydrophobicContact CB-CE2 3.54Å; C94-F136 HydrophobicContact CB-CG 3.83Å; C94-F136 HydrophobicContact CB-CZ 3.48Å; C94-F136 VanDerWaalsContact CB-CZ 3.48Å; C94-Y138 PolarHBondContact N-O 3.15Å; C94-F139 HydrophobicContact CB-CD2 3.86Å; C94-F139 HydrophobicContact CB-CE2 3.95Å; C94-F139 CarbonylContact O-C 3.55Å; C94-F139 VanDerWaalsContact O-CA 3.28Å; C94-F139 WeakPolarHBondContact O-CA 3.42Å; C94-G140 PolarHBondContact O-N 3.39Å; C94-I315 WeakPolarHBondContact O-CG2 3.34Å
95G98.5Very high95.4Very high0 Ų010.7 Ų10.70%07%0.067CC..EExtended strand (participates in β ladder)trans172.3-177.3178.900000111L57 P58 G140L57-G95 WeakPolarHBondContact CA-O 3.45Å; P58-G95 WeakPolarHBondContact CD-O 3.07Å; G95-G140 CarbonylContact C-O 3.54Å; G95-G140 WeakPolarHBondContact CA-O 3.48Å
96T98.6Very high95Very high0 Ų014 Ų140%08%0.082CC..EExtended strand (participates in β ladder)trans-93.5136.3177.837.10000111.7P58 V60 E98 H122 H125 F139 G140 T142P58-T96 HydrophobicContact CG-CG2 4.44Å; P58-T96 WeakPolarHBondContact O-CA 3.34Å; V60-T96 HydrophobicContact CB-CG2 4.17Å; V60-T96 HydrophobicContact CG2-CG2 3.84Å; T96-E98 PolarHBondContact OG1-OE1 3.07Å; T96-H122 HydrophobicContact CG2-CB 4.48Å; T96-H122 PolarHBondContact OG1-ND1 2.88Å; T96-H125 HydrophobicContact CG2-CB 4.15Å; T96-F139 HydrophobicContact CG2-CE1 4.06Å; T96-F139 HydrophobicContact CG2-CZ 4.13Å; T96-G140 PolarHBondContact N-O 2.88Å; T96-G140 VanDerWaalsContact N-O 3.08Å; T96-T142 PolarHBondContact O-N 2.89Å; T96-T142 PolarHBondContact O-OG1 3.38Å
97D98Very high94.8Very high23 Ų2313.6 Ų13.612%0.1238%0.079CC..BIsolated β-bridgetrans-86.8117.7165.6-178.110.8000109.5L57 P58 Y59 V60 V304L57-D97 HydrophobicContact CB-CB 3.93Å; P58-D97 PolarHBondContact O-N 3.04Å; Y59-D97 WeakPolarHBondContact CD2-O 3.09Å; V60-D97 WeakPolarHBondContact CB-O 3.17Å; V60-D97 PolarHBondContact N-O 3.43Å; D97-V304 WeakPolarHBondContact OD1-CG2 3.23Å; D97-V304 WeakPolarHBondContact OD2-CG2 3.32Å
98E98Very high94.4Very high0 Ų018.2 Ų18.20%011%0.105CC..  trans-119.3-16.4-162-67.4-174.8-154.100114.5V60 T96 T103 C118 R141 T142 T143 W288V60-E98 HydrophobicContact CB-CG 3.88Å; V60-E98 HydrophobicContact CG1-CB 4.24Å; V60-E98 HydrophobicContact CG1-CG 3.89Å; V60-E98 HydrophobicContact CG2-CG 4.14Å; T96-E98 PolarHBondContact OG1-OE1 3.07Å; E98-T103 WeakPolarHBondContact O-CG2 3.31Å; E98-T103 PolarHBondContact O-OG1 3.44Å; E98-C118 HydrophobicContact CB-CB 4.43Å; E98-C118 HydrophobicContact CG-CB 4.29Å; E98-C118 VanDerWaalsContact OE2-CB 3.27Å; E98-C118 WeakPolarHBondContact OE2-CB 3.4Å; E98-R141 VanDerWaalsContact OE1-CB 3.25Å; E98-R141 WeakPolarHBondContact OE1-CB 3.31Å; E98-R141 VanDerWaalsContact OE1-CG 3.25Å; E98-R141 WeakPolarHBondContact OE1-CG 3.37Å; E98-R141 IonicContact OE1-CZ 2.86Å; E98-R141 IonicContact OE1-NE 3.56Å; E98-R141 PolarHBondContact OE1-NE 3.15Å; E98-R141 IonicContact OE1-NH2 2.71Å; E98-R141 IonicContact OE2-CZ 3Å; E98-R141 IonicContact OE2-NE 3.58Å; E98-R141 PolarHBondContact OE2-NE 3.16Å; E98-R141 IonicContact OE2-NH2 2.68Å; E98-R141 PolarHBondContact OE2-NH2 3.06Å; E98-T142 PolarHBondContact N-OG1 3.15Å; E98-T142 VanDerWaalsContact N-OG1 3.12Å; E98-T143 HydrophobicContact CB-CG2 3.53Å; E98-T143 HydrophobicContact CG-CG2 4.44Å; E98-T143 PolarHBondContact OE2-OG1 3.09Å; E98-W288 PolarHBondContact O-NE1 3.39Å
99Y96.3Very high94Very high22 Ų2220.4 Ų20.49%0.08613%0.125CC..  trans-86.7169.1-177.1-71.5-52.9000112.9T142 T143 H147 W288 V290Y99-T142 WeakPolarHBondContact CE2-O 3.31Å; Y99-T143 HydrophobicContact CD1-CG2 4.02Å; Y99-T143 HydrophobicContact CE1-CG2 3.56Å; Y99-T143 HydrophobicContact CE2-CG2 4.16Å; Y99-H147 AromaticContact CE2-CD2 3.84Å; Y99-W288 AromaticContact CD1-CD1 3.79Å; Y99-W288 HydrophobicContact CD1-CD2 4.16Å; Y99-W288 AromaticContact CD1-CE2 3.91Å; Y99-W288 HydrophobicContact CD1-CG 4.12Å; Y99-W288 AromaticContact CD1-NE1 3.63Å; Y99-W288 HydrophobicContact CE1-CD2 4.26Å; Y99-W288 HydrophobicContact CE1-CZ2 4.35Å; Y99-V290 HydrophobicContact CD2-CG2 4.16Å; Y99-V290 HydrophobicContact CE2-CG2 3.63Å
100G91Very high93.7Very high10 Ų1024 Ų2410%0.10314%0.142CC..SBendtrans103.4169.817200000115.5A102 T103 W288G100-A102 VanDerWaalsContact C-N 3.28Å; G100-A102 PolarHBondContact O-N 3.33Å; G100-T103 WeakPolarHBondContact O-CB 3.41Å; G100-T103 PolarHBondContact O-N 3.41Å; G100-W288 PolarHBondContact N-O 3.13Å
101T87.2Confident93.5Very high29 Ų2931.3 Ų31.318%0.17818%0.181CC..Hα-helixtrans-60.6-34.2-169.7-45.70000113.6T103 E104 A105 A182 F185 L286T101-T103 PolarHBondContact O-N 3.12Å; T101-E104 PolarHBondContact O-N 3.19Å; T101-A105 WeakPolarHBondContact O-CB 3.21Å; T101-A105 PolarHBondContact O-N 2.73Å; T101-A182 HydrophobicContact CG2-CB 3.63Å; T101-F185 HydrophobicContact CG2-CD2 4.29Å; T101-F185 HydrophobicContact CG2-CE2 3.6Å; T101-F185 HydrophobicContact CG2-CZ 4.27Å; T101-L286 HydrophobicContact CG2-CD2 4.15Å; T101-L286 VanDerWaalsContact OG1-CD1 3.32Å; T101-L286 WeakPolarHBondContact OG1-CD1 3.4Å; T101-L286 WeakPolarHBondContact OG1-CD2 3.48Å
102A87.9Confident93.4Very high23 Ų2334.1 Ų34.119%0.1920%0.195CC..Hα-helixtrans-63.9-27.3179.800000111.6Y59 G100 K106Y59-A102 HydrophobicContact CE1-CB 3.95Å; Y59-A102 WeakPolarHBondContact OH-CA 3.32Å; Y59-A102 WeakPolarHBondContact OH-CB 3.48Å; G100-A102 VanDerWaalsContact C-N 3.28Å; G100-A102 PolarHBondContact O-N 3.33Å; A102-K106 WeakPolarHBondContact O-CB 3.42Å; A102-K106 PolarHBondContact O-N 3.46Å
103T93.8Very high93.3Very high0 Ų037.1 Ų37.10%021%0.213CC..Hα-helixtrans-75-46.6178.9-51.20000109.9Y59 N61 E98 G100 T101 A105 K106 A107 P114 I117 C118Y59-T103 WeakPolarHBondContact OH-CA 3.34Å; Y59-T103 PolarHBondContact OH-N 2.97Å; Y59-T103 PolarHBondContact OH-OG1 3.4Å; N61-T103 WeakPolarHBondContact ND2-CA 3.36Å; N61-T103 VanDerWaalsContact ND2-CB 3.3Å; N61-T103 WeakPolarHBondContact ND2-CB 3.29Å; N61-T103 VanDerWaalsContact ND2-CG2 3.35Å; N61-T103 WeakPolarHBondContact ND2-CG2 3.34Å; N61-T103 PolarHBondContact ND2-OG1 2.92Å; E98-T103 WeakPolarHBondContact O-CG2 3.31Å; E98-T103 PolarHBondContact O-OG1 3.44Å; G100-T103 WeakPolarHBondContact O-CB 3.41Å; G100-T103 PolarHBondContact O-N 3.41Å; T101-T103 PolarHBondContact O-N 3.12Å; T103-A105 VanDerWaalsContact C-N 3.31Å; T103-A105 PolarHBondContact O-N 3.12Å; T103-K106 PolarHBondContact O-N 3.45Å; T103-A107 WeakPolarHBondContact O-CB 3.35Å; T103-A107 PolarHBondContact O-N 2.87Å; T103-P114 HydrophobicContact CG2-CB 4.22Å; T103-I117 HydrophobicContact CG2-CG2 3.96Å; T103-C118 WeakPolarHBondContact CG2-SG 3.34Å
104E90.1Very high93.1Very high23 Ų2338.7 Ų38.711%0.10722%0.223CC..Hα-helixtrans-58.4-44.4173.1-64.6-172.817200111.5T101 K106 A107 V108 P114 H287 W288T101-E104 PolarHBondContact O-N 3.19Å; E104-K106 PolarHBondContact O-N 2.94Å; E104-A107 PolarHBondContact O-N 2.85Å; E104-V108 WeakPolarHBondContact O-CG2 3.46Å; E104-V108 PolarHBondContact O-N 3.29Å; E104-P114 HydrophobicContact CG-CG 4.35Å; E104-H287 PolarHBondContact OE1-N 3.17Å; E104-W288 HydrophobicContact CG-CB 3.66Å; E104-W288 WeakPolarHBondContact OE1-CB 3.2Å; E104-W288 PolarHBondContact OE1-N 2.76Å
105A86.8Confident93.1Very high30 Ų3043.9 Ų43.925%0.24824%0.242CC..Hα-helixtrans-61.2-46.517900000112T101 T103 V108 S109 F185T101-A105 WeakPolarHBondContact O-CB 3.21Å; T101-A105 PolarHBondContact O-N 2.73Å; T103-A105 VanDerWaalsContact C-N 3.31Å; T103-A105 PolarHBondContact O-N 3.12Å; A105-V108 PolarHBondContact O-N 2.85Å; A105-S109 PolarHBondContact O-N 3.35Å; A105-F185 HydrophobicContact CB-CE1 3.85Å; A105-F185 HydrophobicContact CB-CZ 3.64Å
106K89.8Confident93Very high69 Ų6948.5 Ų48.530%0.326%0.264SS..Hα-helixtrans-69.1-40.1-179.7-169.774.7-174.8146.20111.2N61 A102 T103 E104 V108 S109 E110 I117N61-K106 HydrophobicContact CB-CB 4.35Å; N61-K106 HydrophobicContact CB-CG 4.24Å; A102-K106 WeakPolarHBondContact O-CB 3.42Å; A102-K106 PolarHBondContact O-N 3.46Å; T103-K106 PolarHBondContact O-N 3.45Å; E104-K106 PolarHBondContact O-N 2.94Å; K106-V108 PolarHBondContact O-N 2.95Å; K106-S109 WeakPolarHBondContact CA-OG 3.44Å; K106-S109 PolarHBondContact O-N 2.93Å; K106-S109 VanDerWaalsContact O-N 3.15Å; K106-S109 PolarHBondContact O-OG 3.33Å; K106-E110 WeakPolarHBondContact CE-OE1 3.45Å; K106-E110 HydrophobicContact CG-CG 4.42Å; K106-E110 IonicContact NZ-OE1 2.66Å; K106-E110 PolarHBondContact NZ-OE1 3.49Å; K106-E110 WeakPolarHBondContact O-CG 3.49Å; K106-E110 PolarHBondContact O-N 3Å; K106-I117 HydrophobicContact CB-CD1 3.84Å; K106-I117 HydrophobicContact CG-CD1 3.27Å
107A91.7Very high93Very high1 Ų148.5 Ų48.51%0.00826%0.264CS..Hα-helixtrans-56.3-48.6174.700000111.4T103 E104 S109 E110 N111 M112 P114 I117T103-A107 WeakPolarHBondContact O-CB 3.35Å; T103-A107 PolarHBondContact O-N 2.87Å; E104-A107 PolarHBondContact O-N 2.85Å; A107-S109 PolarHBondContact O-N 3.05Å; A107-E110 CarbonylContact O-C 3.53Å; A107-E110 PolarHBondContact O-N 3.32Å; A107-N111 PolarHBondContact O-N 2.93Å; A107-N111 VanDerWaalsContact O-N 3.07Å; A107-M112 CarbonylContact C-O 3.53Å; A107-M112 VanDerWaalsContact C-O 3.31Å; A107-M112 WeakPolarHBondContact CB-O 3.29Å; A107-M112 PolarHBondContact O-N 3.46Å; A107-M112 VanDerWaalsContact O-O 3.09Å; A107-P114 HydrophobicContact CB-CG 4.2Å; A107-I117 HydrophobicContact CB-CG2 3.83Å
108V88.4Confident93Very high107 Ų10747.4 Ų47.465%0.64826%0.258SS*.Hα-helixtrans-60.1-441751720000111.4E104 A105 K106 E110 N111E104-V108 WeakPolarHBondContact O-CG2 3.46Å; E104-V108 PolarHBondContact O-N 3.29Å; A105-V108 PolarHBondContact O-N 2.85Å; K106-V108 PolarHBondContact O-N 2.95Å; V108-E110 VanDerWaalsContact C-N 3.27Å; V108-E110 PolarHBondContact O-N 2.89Å; V108-N111 PolarHBondContact O-N 2.97Å
109S88.3Confident93Very high80 Ų8050.1 Ų50.156%0.55927%0.273SS*.Hα-helixtrans-65.2-28-179.474.70000114.1A105 K106 A107A105-S109 PolarHBondContact O-N 3.35Å; K106-S109 WeakPolarHBondContact CA-OG 3.44Å; K106-S109 PolarHBondContact O-N 2.93Å; K106-S109 VanDerWaalsContact O-N 3.15Å; K106-S109 PolarHBondContact O-OG 3.33Å; A107-S109 PolarHBondContact O-N 3.05Å
110E91.1Very high93Very high77 Ų7754 Ų5436%0.3629%0.29SS..THydrogen-bonded Turntrans-99.14.6-179.9-62.9-83.8162.400112K106 A107 V108 M112 I117 K120K106-E110 WeakPolarHBondContact CE-OE1 3.45Å; K106-E110 HydrophobicContact CG-CG 4.42Å; K106-E110 IonicContact NZ-OE1 2.66Å; K106-E110 PolarHBondContact NZ-OE1 3.49Å; K106-E110 WeakPolarHBondContact O-CG 3.49Å; K106-E110 PolarHBondContact O-N 3Å; A107-E110 CarbonylContact O-C 3.53Å; A107-E110 PolarHBondContact O-N 3.32Å; V108-E110 VanDerWaalsContact C-N 3.27Å; V108-E110 PolarHBondContact O-N 2.89Å; E110-M112 VanDerWaalsContact C-N 3.3Å; E110-M112 HydrophobicContact CB-CG 4.21Å; E110-M112 HydrophobicContact CB-SD 4.36Å; E110-M112 WeakPolarHBondContact O-CG 3.43Å; E110-M112 PolarHBondContact O-N 3.18Å; E110-I117 HydrophobicContact CB-CD1 4.28Å; E110-I117 HydrophobicContact CG-CD1 3.96Å; E110-K120 IonicContact OE2-NZ 3.16Å
111N94.2Very high93.3Very high157 Ų15754.4 Ų54.484%0.8429%0.289SS*.THydrogen-bonded Turntrans53.343.9-175.1-16340.7000113.2A107 V108A107-N111 PolarHBondContact O-N 2.93Å; A107-N111 VanDerWaalsContact O-N 3.07Å; V108-N111 PolarHBondContact O-N 2.97Å
112M95.5Very high93.8Very high60 Ų6054.4 Ų54.430%0.29629%0.287SS..  trans-124.7163.9178.4-59.9-17789.600110.4A107 E110 Q116 I117 K120A107-M112 CarbonylContact C-O 3.53Å; A107-M112 VanDerWaalsContact C-O 3.31Å; A107-M112 WeakPolarHBondContact CB-O 3.29Å; A107-M112 PolarHBondContact O-N 3.46Å; A107-M112 VanDerWaalsContact O-O 3.09Å; E110-M112 VanDerWaalsContact C-N 3.3Å; E110-M112 HydrophobicContact CB-CG 4.21Å; E110-M112 HydrophobicContact CB-SD 4.36Å; E110-M112 WeakPolarHBondContact O-CG 3.43Å; E110-M112 PolarHBondContact O-N 3.18Å; M112-Q116 HydrophobicContact CB-CB 4.12Å; M112-Q116 HydrophobicContact CE-CB 3.82Å; M112-I117 HydrophobicContact CB-CB 4.46Å; M112-I117 HydrophobicContact SD-CB 4.45Å; M112-K120 HydrophobicContact CE-CD 4.31Å; M112-K120 HydrophobicContact SD-CD 4.11Å
113T96.2Very high94.3Very high68 Ų6859 Ų5942%0.41730%0.303SS..  trans-76.4157.4165.471.40000110.9R115 Q116 I117T113-R115 PolarHBondContact O-N 3.48Å; T113-Q116 PolarHBondContact O-N 3.06Å; T113-Q116 VanDerWaalsContact O-N 3.13Å; T113-Q116 VanDerWaalsContact OG1-CG 3.3Å; T113-Q116 WeakPolarHBondContact OG1-CG 3.17Å; T113-Q116 PolarHBondContact OG1-N 3.28Å; T113-Q116 PolarHBondContact OG1-OE1 3.34Å; T113-I117 PolarHBondContact O-N 3.43Å
114P95.8Very high94.5Very high33 Ų3361.4 Ų61.421%0.21432%0.315CS..Hα-helixtrans-51.8-41172.9-30.137.2000113.2T103 E104 A107 I117 C118 W288T103-P114 HydrophobicContact CG2-CB 4.22Å; E104-P114 HydrophobicContact CG-CG 4.35Å; A107-P114 HydrophobicContact CB-CG 4.2Å; P114-I117 WeakPolarHBondContact O-CG2 3.49Å; P114-C118 WeakPolarHBondContact O-CB 3.35Å; P114-C118 PolarHBondContact O-N 3.31Å; P114-C118 PolarHBondContact O-SG 2.86Å; P114-W288 HydrophobicContact CB-CB 4.24Å; P114-W288 HydrophobicContact CB-CD2 3.31Å; P114-W288 HydrophobicContact CB-CE3 3.63Å; P114-W288 HydrophobicContact CB-CG 3.59Å; P114-W288 HydrophobicContact CB-CH2 4.34Å; P114-W288 HydrophobicContact CB-CZ2 4.07Å; P114-W288 HydrophobicContact CB-CZ3 4.14Å; P114-W288 HydrophobicContact CG-CB 4.35Å; P114-W288 HydrophobicContact CG-CD2 4.21Å; P114-W288 HydrophobicContact CG-CE3 4.34Å; P114-W288 HydrophobicContact CG-CG 4.22Å
115R97.5Very high94.9Very high109 Ų10960.4 Ų60.441%0.41131%0.31SS..Hα-helixtrans-63.9-46.8176.7-178.659.6-170.2-134.91.4112.5T113 I117 C118 D119 W288T113-R115 PolarHBondContact O-N 3.48Å; R115-I117 VanDerWaalsContact C-N 3.33Å; R115-I117 PolarHBondContact O-N 2.88Å; R115-C118 PolarHBondContact O-N 3.32Å; R115-D119 IonicContact CZ-OD1 2.64Å; R115-D119 IonicContact NE-OD1 2.74Å; R115-D119 PolarHBondContact NE-OD1 2.99Å; R115-D119 IonicContact NE-OD2 3.91Å; R115-D119 PolarHBondContact NE-OD2 3.1Å; R115-D119 IonicContact NH2-OD1 3.46Å; R115-D119 PolarHBondContact NH2-OD1 3.21Å; R115-D119 WeakPolarHBondContact O-CB 3.46Å; R115-D119 PolarHBondContact O-N 2.91Å; R115-W288 HydrophobicContact CB-CH2 3.75Å; R115-W288 HydrophobicContact CB-CZ3 4.28Å
116Q97.9Very high95.4Very high97 Ų9760.9 Ų60.945%0.45331%0.312SS..Hα-helixtrans-62.2-40.8-179-76.7173.1-34.700112.1M112 T113 D119 K120M112-Q116 HydrophobicContact CB-CB 4.12Å; M112-Q116 HydrophobicContact CE-CB 3.82Å; T113-Q116 PolarHBondContact O-N 3.06Å; T113-Q116 VanDerWaalsContact O-N 3.13Å; T113-Q116 VanDerWaalsContact OG1-CG 3.3Å; T113-Q116 WeakPolarHBondContact OG1-CG 3.17Å; T113-Q116 PolarHBondContact OG1-N 3.28Å; T113-Q116 PolarHBondContact OG1-OE1 3.34Å; Q116-D119 PolarHBondContact O-N 3.3Å; Q116-K120 WeakPolarHBondContact O-CB 3.44Å; Q116-K120 PolarHBondContact O-N 2.96Å
117I96.7Very high95.8Very high0 Ų060.6 Ų60.60%031%0.314CS..Hα-helixtrans-69.6-40.9178-164.4164.4000111.6T103 K106 A107 E110 M112 T113 P114 R115 D119 K120 F121T103-I117 HydrophobicContact CG2-CG2 3.96Å; K106-I117 HydrophobicContact CB-CD1 3.84Å; K106-I117 HydrophobicContact CG-CD1 3.27Å; A107-I117 HydrophobicContact CB-CG2 3.83Å; E110-I117 HydrophobicContact CB-CD1 4.28Å; E110-I117 HydrophobicContact CG-CD1 3.96Å; M112-I117 HydrophobicContact CB-CB 4.46Å; M112-I117 HydrophobicContact SD-CB 4.45Å; T113-I117 PolarHBondContact O-N 3.43Å; P114-I117 WeakPolarHBondContact O-CG2 3.49Å; R115-I117 VanDerWaalsContact C-N 3.33Å; R115-I117 PolarHBondContact O-N 2.88Å; I117-D119 VanDerWaalsContact C-N 3.35Å; I117-D119 PolarHBondContact O-N 2.65Å; I117-K120 PolarHBondContact O-N 3.26Å; I117-F121 HydrophobicContact CD1-CD2 4.41Å; I117-F121 HydrophobicContact CD1-CE2 4.09Å; I117-F121 HydrophobicContact CG1-CD2 3.64Å; I117-F121 HydrophobicContact CG1-CE2 3.77Å; I117-F121 WeakPolarHBondContact O-CD2 3.03Å; I117-F121 PolarHBondContact O-N 3.09Å
118C98.2Very high96.1Very high0 Ų060.6 Ų60.60%031%0.313CS..Hα-helixtrans-59.8-44.6173.2-69.10000111.8V60 E98 T103 P114 R115 K120 F121 H122V60-C118 HydrophobicContact CG1-CB 4.43Å; E98-C118 HydrophobicContact CB-CB 4.43Å; E98-C118 HydrophobicContact CG-CB 4.29Å; E98-C118 VanDerWaalsContact OE2-CB 3.27Å; E98-C118 WeakPolarHBondContact OE2-CB 3.4Å; T103-C118 WeakPolarHBondContact CG2-SG 3.34Å; P114-C118 WeakPolarHBondContact O-CB 3.35Å; P114-C118 PolarHBondContact O-N 3.31Å; P114-C118 PolarHBondContact O-SG 2.86Å; R115-C118 PolarHBondContact O-N 3.32Å; C118-K120 PolarHBondContact O-N 3.45Å; C118-F121 PolarHBondContact O-N 3.33Å; C118-H122 WeakPolarHBondContact O-CB 3.35Å; C118-H122 PolarHBondContact O-N 2.81Å
119D98.3Very high96.5Very high58 Ų5855.9 Ų55.931%0.3128%0.284SS..Hα-helixtrans-60.9-44.5178.4-69.5-21.9000111.7R115 Q116 I117 K123 R141R115-D119 IonicContact CZ-OD1 2.64Å; R115-D119 IonicContact NE-OD1 2.74Å; R115-D119 PolarHBondContact NE-OD1 2.99Å; R115-D119 IonicContact NE-OD2 3.91Å; R115-D119 PolarHBondContact NE-OD2 3.1Å; R115-D119 IonicContact NH2-OD1 3.46Å; R115-D119 PolarHBondContact NH2-OD1 3.21Å; R115-D119 WeakPolarHBondContact O-CB 3.46Å; R115-D119 PolarHBondContact O-N 2.91Å; Q116-D119 PolarHBondContact O-N 3.3Å; I117-D119 VanDerWaalsContact C-N 3.35Å; I117-D119 PolarHBondContact O-N 2.65Å; D119-K123 PolarHBondContact O-N 2.89Å; D119-R141 IonicContact OD1-CZ 3.77Å; D119-R141 IonicContact OD1-NH1 3.49Å; D119-R141 PolarHBondContact OD1-NH1 3.43Å; D119-R141 IonicContact OD1-NH2 3.96Å; D119-R141 PolarHBondContact OD1-NH2 3.15Å
120K97.4Very high97Very high102 Ų10259.2 Ų59.244%0.44329%0.288SS..Hα-helixtrans-58.5-51.1176.3174.2-176.1175.6-177.50111.3E110 M112 Q116 I117 C118 L124E110-K120 IonicContact OE2-NZ 3.16Å; M112-K120 HydrophobicContact CE-CD 4.31Å; M112-K120 HydrophobicContact SD-CD 4.11Å; Q116-K120 WeakPolarHBondContact O-CB 3.44Å; Q116-K120 PolarHBondContact O-N 2.96Å; I117-K120 PolarHBondContact O-N 3.26Å; C118-K120 PolarHBondContact O-N 3.45Å; K120-L124 PolarHBondContact O-N 3.08Å
121F97.2Very high97.3Very high19 Ų1958.9 Ų58.98%0.08328%0.284CS..Hα-helixtrans-80.2-33.8-173.9-85.2-88.9000113.2V60 V63 I117 C118 K123 L124 H125V60-F121 HydrophobicContact CG2-CB 3.79Å; V60-F121 WeakPolarHBondContact O-CB 3.34Å; V60-F121 WeakPolarHBondContact O-CD1 3.48Å; V60-F121 WeakPolarHBondContact O-CG 3.46Å; V63-F121 HydrophobicContact CG2-CE1 4.02Å; I117-F121 HydrophobicContact CD1-CD2 4.41Å; I117-F121 HydrophobicContact CD1-CE2 4.09Å; I117-F121 HydrophobicContact CG1-CD2 3.64Å; I117-F121 HydrophobicContact CG1-CE2 3.77Å; I117-F121 WeakPolarHBondContact O-CD2 3.03Å; I117-F121 PolarHBondContact O-N 3.09Å; C118-F121 PolarHBondContact O-N 3.33Å; F121-K123 VanDerWaalsContact C-N 3.26Å; F121-K123 PolarHBondContact O-N 3.33Å; F121-L124 HydrophobicContact CD1-CD2 4.12Å; F121-L124 HydrophobicContact CE1-CD2 4.28Å; F121-L124 CarbonylContact O-C 3.02Å; F121-L124 WeakPolarHBondContact O-CA 3.21Å; F121-L124 WeakPolarHBondContact O-CB 3.42Å; F121-L124 PolarHBondContact O-N 3.18Å; F121-H125 PolarHBondContact O-CD2 3.17Å; F121-H125 VanDerWaalsContact O-CD2 3.24Å; F121-H125 PolarHBondContact O-N 2.91Å
122H98.3Very high97.5Very high29 Ų2951.4 Ų51.413%0.13424%0.244CC..Hα-helixtrans-55.7-45.9172.3175.577.1000110.6V60 T96 C118 L124 H125 C126 F139 G140 R141V60-H122 HydrophobicContact CG2-CB 4.2Å; T96-H122 HydrophobicContact CG2-CB 4.48Å; T96-H122 PolarHBondContact OG1-ND1 2.88Å; C118-H122 WeakPolarHBondContact O-CB 3.35Å; C118-H122 PolarHBondContact O-N 2.81Å; H122-L124 VanDerWaalsContact C-N 3.33Å; H122-L124 PolarHBondContact O-N 3.44Å; H122-H125 WeakPolarHBondContact O-CB 3.28Å; H122-H125 PolarHBondContact O-N 3.29Å; H122-C126 PolarHBondContact O-N 3.4Å; H122-C126 PolarHBondContact O-SG 3.05Å; H122-F139 AromaticContact CE1-CD1 3.71Å; H122-F139 AromaticContact CE1-CE1 3.74Å; H122-F139 AromaticContact ND1-CE1 3.95Å; H122-G140 PolarHBondContact CE1-O 3.45Å; H122-R141 WeakPolarHBondContact CE1-CG 3.43Å
123K98Very high97.7Very high121 Ų12150 Ų5053%0.52624%0.237SC..Hα-helixtrans-57.3-45.3173.1175.8166173.540.10112.2D119 F121 H125 C126 D127D119-K123 PolarHBondContact O-N 2.89Å; F121-K123 VanDerWaalsContact C-N 3.26Å; F121-K123 PolarHBondContact O-N 3.33Å; K123-H125 PolarHBondContact O-N 2.86Å; K123-C126 PolarHBondContact O-N 3.5Å; K123-D127 IonicContact NZ-OD1 2.65Å; K123-D127 PolarHBondContact NZ-OD1 2.89Å; K123-D127 VanDerWaalsContact NZ-OD1 3.15Å; K123-D127 IonicContact NZ-OD2 2.86Å; K123-D127 PolarHBondContact NZ-OD2 2.93Å; K123-D127 VanDerWaalsContact O-CG 3.26Å; K123-D127 PolarHBondContact O-N 3.46Å
124L97.1Very high97.8Very high50 Ų5047 Ų4726%0.26222%0.218SC..Hα-helixtrans-61.1-42.7177.8179.661.1000112.1V63 K120 F121 H122 D127 I128V63-L124 HydrophobicContact CG1-CD2 4.37Å; V63-L124 HydrophobicContact CG2-CD2 3.76Å; K120-L124 PolarHBondContact O-N 3.08Å; F121-L124 HydrophobicContact CD1-CD2 4.12Å; F121-L124 HydrophobicContact CE1-CD2 4.28Å; F121-L124 CarbonylContact O-C 3.02Å; F121-L124 WeakPolarHBondContact O-CA 3.21Å; F121-L124 WeakPolarHBondContact O-CB 3.42Å; F121-L124 PolarHBondContact O-N 3.18Å; H122-L124 VanDerWaalsContact C-N 3.33Å; H122-L124 PolarHBondContact O-N 3.44Å; L124-D127 PolarHBondContact O-N 2.84Å; L124-I128 HydrophobicContact CD1-CD1 3.97Å; L124-I128 HydrophobicContact CD1-CG1 4.26Å; L124-I128 HydrophobicContact CG-CD1 3.92Å; L124-I128 WeakPolarHBondContact O-CB 3.43Å; L124-I128 VanDerWaalsContact O-CG1 3.28Å; L124-I128 WeakPolarHBondContact O-CG1 3.14Å; L124-I128 PolarHBondContact O-N 3.25Å
125H98.1Very high97.7Very high1 Ų151.3 Ų51.31%0.00524%0.235CC..Hα-helixtrans-58.6-49173.4-85.5-93.5000111.2V60 N62 T96 F121 H122 K123 D127 I128 Y129V60-H125 PolarHBondContact O-NE2 3.01Å; N62-H125 PolarHBondContact O-CE1 2.87Å; N62-H125 PolarHBondContact O-NE2 3.4Å; N62-H125 VanDerWaalsContact O-NE2 3.07Å; T96-H125 HydrophobicContact CG2-CB 4.15Å; F121-H125 PolarHBondContact O-CD2 3.17Å; F121-H125 VanDerWaalsContact O-CD2 3.24Å; F121-H125 PolarHBondContact O-N 2.91Å; H122-H125 WeakPolarHBondContact O-CB 3.28Å; H122-H125 PolarHBondContact O-N 3.29Å; K123-H125 PolarHBondContact O-N 2.86Å; H125-D127 PolarHBondContact O-N 3.12Å; H125-I128 PolarHBondContact O-N 2.96Å; H125-Y129 HydrophobicContact CB-CD2 4.25Å; H125-Y129 HydrophobicContact CB-CE2 3.75Å; H125-Y129 AromaticContact ND1-CE2 3.6Å; H125-Y129 AromaticContact ND1-CZ 3.49Å; H125-Y129 PolarHBondContact ND1-OH 3.29Å; H125-Y129 WeakPolarHBondContact O-CB 3.3Å; H125-Y129 WeakPolarHBondContact O-CD2 3.45Å; H125-Y129 PolarHBondContact O-N 3.13Å
126C97.9Very high97.7Very high41 Ų4147.4 Ų47.428%0.27722%0.221SC..Hα-helixtrans-58.5-45.2176.9-65.50000112.5H122 K123 Y129 K130 F139H122-C126 PolarHBondContact O-N 3.4Å; H122-C126 PolarHBondContact O-SG 3.05Å; K123-C126 PolarHBondContact O-N 3.5Å; C126-Y129 PolarHBondContact O-N 2.7Å; C126-K130 WeakPolarHBondContact O-CB 3.25Å; C126-K130 PolarHBondContact O-N 3.15Å; C126-F139 VanDerWaalsContact SG-CD1 3.59Å
127D97.9Very high97.7Very high63 Ų6345.2 Ų45.234%0.33721%0.213SC..Hα-helixtrans-64.1-41.9-179.4-68.5-23.3000111K123 L124 H125 W131K123-D127 IonicContact NZ-OD1 2.65Å; K123-D127 PolarHBondContact NZ-OD1 2.89Å; K123-D127 VanDerWaalsContact NZ-OD1 3.15Å; K123-D127 IonicContact NZ-OD2 2.86Å; K123-D127 PolarHBondContact NZ-OD2 2.93Å; K123-D127 VanDerWaalsContact O-CG 3.26Å; K123-D127 PolarHBondContact O-N 3.46Å; L124-D127 PolarHBondContact O-N 2.84Å; H125-D127 PolarHBondContact O-N 3.12Å; D127-W131 PolarHBondContact O-N 3.24Å
128I98Very high97.8Very high0 Ų049 Ų490%023%0.227CC..Hα-helixtrans-63.8-51.7175.2-70.9167.8000110.9V63 P64 M69 L124 H125 K130 W131 F132 D394 M397V63-I128 HydrophobicContact CG1-CD1 3.78Å; P64-I128 HydrophobicContact CG-CD1 4.04Å; P64-I128 HydrophobicContact CG-CG2 4.23Å; M69-I128 HydrophobicContact SD-CG2 4Å; L124-I128 HydrophobicContact CD1-CD1 3.97Å; L124-I128 HydrophobicContact CD1-CG1 4.26Å; L124-I128 HydrophobicContact CG-CD1 3.92Å; L124-I128 WeakPolarHBondContact O-CB 3.43Å; L124-I128 VanDerWaalsContact O-CG1 3.28Å; L124-I128 WeakPolarHBondContact O-CG1 3.14Å; L124-I128 PolarHBondContact O-N 3.25Å; H125-I128 PolarHBondContact O-N 2.96Å; I128-K130 VanDerWaalsContact C-N 3.33Å; I128-K130 PolarHBondContact O-N 2.85Å; I128-W131 PolarHBondContact O-N 3Å; I128-F132 HydrophobicContact CG2-CD2 4.04Å; I128-F132 HydrophobicContact CG2-CE2 4.39Å; I128-F132 PolarHBondContact O-N 2.95Å; I128-D394 HydrophobicContact CD1-CB 4.33Å; I128-M397 HydrophobicContact CG1-SD 3.93Å
129Y98.3Very high97.8Very high8 Ų850.8 Ų50.83%0.03124%0.235CC..Hα-helixtrans-63.8-39.9-177.4-62.8-36.1000111.7P58 P64 M69 T73 H125 C126 W131 F132 Q133 I134 F139P58-Y129 WeakPolarHBondContact CB-OH 3.38Å; P58-Y129 HydrophobicContact CG-CE2 4.14Å; P58-Y129 WeakPolarHBondContact CG-OH 3.35Å; P64-Y129 HydrophobicContact CG-CE1 4.17Å; M69-Y129 HydrophobicContact CG-CE1 4.1Å; M69-Y129 HydrophobicContact SD-CD1 4.48Å; M69-Y129 HydrophobicContact SD-CE1 4.34Å; T73-Y129 HydrophobicContact CG2-CE1 4.26Å; H125-Y129 HydrophobicContact CB-CD2 4.25Å; H125-Y129 HydrophobicContact CB-CE2 3.75Å; H125-Y129 AromaticContact ND1-CE2 3.6Å; H125-Y129 AromaticContact ND1-CZ 3.49Å; H125-Y129 PolarHBondContact ND1-OH 3.29Å; H125-Y129 WeakPolarHBondContact O-CB 3.3Å; H125-Y129 WeakPolarHBondContact O-CD2 3.45Å; H125-Y129 PolarHBondContact O-N 3.13Å; C126-Y129 PolarHBondContact O-N 2.7Å; Y129-W131 PolarHBondContact O-N 3.5Å; Y129-F132 CarbonylContact O-C 3.47Å; Y129-F132 PolarHBondContact O-N 3.3Å; Y129-Q133 PolarHBondContact O-N 3.37Å; Y129-I134 HydrophobicContact CD1-CD1 4.2Å; Y129-I134 PolarHBondContact O-N 3.25Å; Y129-F139 HydrophobicContact CD2-CD2 4.39Å; Y129-F139 HydrophobicContact CD2-CE1 4.36Å; Y129-F139 AromaticContact CD2-CE2 3.72Å; Y129-F139 HydrophobicContact CD2-CE2 3.72Å; Y129-F139 AromaticContact CD2-CZ 3.72Å; Y129-F139 HydrophobicContact CD2-CZ 3.72Å; Y129-F139 HydrophobicContact CE2-CE1 4.37Å; Y129-F139 AromaticContact CE2-CE2 3.68Å; Y129-F139 HydrophobicContact CE2-CE2 3.68Å; Y129-F139 AromaticContact CE2-CZ 3.47Å; Y129-F139 HydrophobicContact CE2-CZ 3.47Å; Y129-F139 VanDerWaalsContact CE2-CZ 3.47Å
130K97.8Very high97.8Very high150 Ų15048.1 Ų48.165%0.65222%0.222SC*.Hα-helixtrans-60-44.3173.1-175.5175.2-178.3176.20112C126 I128 F132 Q133C126-K130 WeakPolarHBondContact O-CB 3.25Å; C126-K130 PolarHBondContact O-N 3.15Å; I128-K130 VanDerWaalsContact C-N 3.33Å; I128-K130 PolarHBondContact O-N 2.85Å; K130-F132 VanDerWaalsContact C-N 3.34Å; K130-F132 PolarHBondContact O-N 2.96Å; K130-Q133 WeakPolarHBondContact O-CA 3.39Å; K130-Q133 PolarHBondContact O-N 3.27Å
131W98Very high97.9Very high70 Ų7045 Ų4527%0.26521%0.207SC..Hα-helixtrans-64.7-39.1177.4-175.188.7000112.3D127 I128 Y129 Q133 A396 M397 S403 W406D127-W131 PolarHBondContact O-N 3.24Å; I128-W131 PolarHBondContact O-N 3Å; Y129-W131 PolarHBondContact O-N 3.5Å; W131-Q133 PolarHBondContact O-N 2.98Å; W131-A396 HydrophobicContact CH2-CB 4.27Å; W131-A396 VanDerWaalsContact CH2-O 3.23Å; W131-A396 WeakPolarHBondContact CH2-O 3.34Å; W131-A396 HydrophobicContact CZ3-CB 3.87Å; W131-M397 HydrophobicContact CB-CE 4.12Å; W131-M397 HydrophobicContact CB-CG 3.92Å; W131-M397 HydrophobicContact CB-SD 4.25Å; W131-M397 HydrophobicContact CD2-CB 4.19Å; W131-M397 HydrophobicContact CD2-CG 3.52Å; W131-M397 HydrophobicContact CE3-CG 3.75Å; W131-M397 HydrophobicContact CG-CB 4.41Å; W131-M397 HydrophobicContact CG-CE 4.3Å; W131-M397 HydrophobicContact CG-CG 3.58Å; W131-M397 HydrophobicContact CG-SD 4.48Å; W131-M397 HydrophobicContact CZ3-CG 4.47Å; W131-S403 WeakPolarHBondContact O-CB 3.47Å; W131-S403 PolarHBondContact O-OG 3.4Å; W131-W406 AromaticContact CH2-CD1 3.68Å; W131-W406 AromaticContact CH2-NE1 3.86Å
132F98.4Very high98Very high0 Ų044.1 Ų44.10%020%0.203CC..THydrogen-bonded Turntrans-721171.2-88.8-89.1000113.9L66 M69 I128 Y129 K130 I134 A396 W406 R407 L410L66-F132 HydrophobicContact CD2-CE1 4.46Å; L66-F132 HydrophobicContact CD2-CZ 3.86Å; M69-F132 HydrophobicContact CE-CD2 4.13Å; M69-F132 HydrophobicContact CE-CE1 4.03Å; M69-F132 HydrophobicContact CE-CE2 3.59Å; M69-F132 HydrophobicContact CE-CZ 3.53Å; M69-F132 HydrophobicContact SD-CD1 4.48Å; M69-F132 HydrophobicContact SD-CD2 3.82Å; M69-F132 HydrophobicContact SD-CE2 3.91Å; M69-F132 HydrophobicContact SD-CG 4.14Å; M69-F132 HydrophobicContact SD-CZ 4.27Å; I128-F132 HydrophobicContact CG2-CD2 4.04Å; I128-F132 HydrophobicContact CG2-CE2 4.39Å; I128-F132 PolarHBondContact O-N 2.95Å; Y129-F132 CarbonylContact O-C 3.47Å; Y129-F132 PolarHBondContact O-N 3.3Å; K130-F132 VanDerWaalsContact C-N 3.34Å; K130-F132 PolarHBondContact O-N 2.96Å; F132-I134 HydrophobicContact CB-CD1 3.77Å; F132-I134 HydrophobicContact CB-CG1 3.9Å; F132-I134 HydrophobicContact CG-CD1 4.49Å; F132-I134 PolarHBondContact O-N 2.86Å; F132-A396 HydrophobicContact CE2-CB 3.79Å; F132-A396 HydrophobicContact CZ-CB 3.59Å; F132-W406 HydrophobicContact CE1-CB 3.7Å; F132-W406 HydrophobicContact CE1-CG 4.37Å; F132-W406 HydrophobicContact CZ-CB 4.33Å; F132-R407 HydrophobicContact CD1-CG 4.37Å; F132-R407 VanDerWaalsContact O-CD 3.28Å; F132-R407 WeakPolarHBondContact O-CD 3.43Å; F132-R407 PolarHBondContact O-NH1 3.03Å; F132-L410 HydrophobicContact CE1-CD1 4.39Å
133Q98.3Very high98Very high31 Ų3143.3 Ų43.315%0.14520%0.2CC..THydrogen-bonded Turntrans53.336.5-174.4-61.3165.880.600112.5N77 Y129 K130 W131 E135 S403 D404 R407 P550 T551N77-Q133 PolarHBondContact OD1-O 3.5Å; Y129-Q133 PolarHBondContact O-N 3.37Å; K130-Q133 WeakPolarHBondContact O-CA 3.39Å; K130-Q133 PolarHBondContact O-N 3.27Å; W131-Q133 PolarHBondContact O-N 2.98Å; Q133-E135 PolarHBondContact O-N 2.95Å; Q133-S403 PolarHBondContact NE2-OG 3.11Å; Q133-D404 PolarHBondContact NE2-OD1 3.34Å; Q133-R407 PolarHBondContact O-NH1 2.97Å; Q133-P550 HydrophobicContact CB-CG 4.23Å; Q133-T551 VanDerWaalsContact CD-OG1 3.22Å; Q133-T551 PolarHBondContact NE2-OG1 2.98Å; Q133-T551 PolarHBondContact OE1-OG1 3.37Å
134I98.3Very high98Very high6 Ų638.9 Ų38.93%0.03118%0.183CC..  trans-92.493.5171.4-62.5170.9000106.1L74 N77 Y129 F132 F136L74-I134 HydrophobicContact CB-CD1 3.91Å; L74-I134 HydrophobicContact CD1-CD1 4.25Å; L74-I134 HydrophobicContact CD1-CG1 4.1Å; N77-I134 HydrophobicContact CB-CB 4.47Å; N77-I134 HydrophobicContact CB-CG2 3.91Å; Y129-I134 HydrophobicContact CD1-CD1 4.2Å; Y129-I134 PolarHBondContact O-N 3.25Å; F132-I134 HydrophobicContact CB-CD1 3.77Å; F132-I134 HydrophobicContact CB-CG1 3.9Å; F132-I134 HydrophobicContact CG-CD1 4.49Å; F132-I134 PolarHBondContact O-N 2.86Å; I134-F136 HydrophobicContact CG2-CD2 4.37Å; I134-F136 HydrophobicContact CG2-CE2 3.63Å; I134-F136 HydrophobicContact CG2-CZ 4.07Å
135E95.1Very high98.1Very high123 Ų12343.4 Ų43.458%0.57521%0.208SC*.  trans-107.3131.6-179.7-62.4-175.416300109.3N77 Q133N77-E135 PolarHBondContact ND2-N 2.68Å; N77-E135 VanDerWaalsContact ND2-N 3.13Å; N77-E135 PolarHBondContact ND2-O 2.94Å; Q133-E135 PolarHBondContact O-N 2.95Å
136F97.7Very high98.1Very high27 Ų2746.2 Ų46.212%0.11822%0.221CC..  trans-110.8154.1170.2-64.5-84000107.8T73 A76 S92 C94 I134 Y138 F139T73-F136 HydrophobicContact CG2-CE2 4.34Å; T73-F136 HydrophobicContact CG2-CZ 4.18Å; A76-F136 HydrophobicContact CB-CE1 4.21Å; S92-F136 WeakPolarHBondContact OG-CA 3.27Å; C94-F136 HydrophobicContact CB-CD1 3.76Å; C94-F136 HydrophobicContact CB-CD2 3.73Å; C94-F136 HydrophobicContact CB-CE1 3.6Å; C94-F136 HydrophobicContact CB-CE2 3.54Å; C94-F136 HydrophobicContact CB-CG 3.83Å; C94-F136 HydrophobicContact CB-CZ 3.48Å; C94-F136 VanDerWaalsContact CB-CZ 3.48Å; I134-F136 HydrophobicContact CG2-CD2 4.37Å; I134-F136 HydrophobicContact CG2-CE2 3.63Å; I134-F136 HydrophobicContact CG2-CZ 4.07Å; F136-Y138 PolarHBondContact O-N 3.38Å; F136-F139 AromaticContact CD2-CD2 3.72Å; F136-F139 HydrophobicContact CD2-CD2 3.72Å; F136-F139 HydrophobicContact CD2-CE2 4.46Å; F136-F139 HydrophobicContact CE2-CD2 4.05Å; F136-F139 HydrophobicContact CE2-CE2 4.36Å
137D97.7Very high98.1Very high50 Ų5044.2 Ų44.227%0.26721%0.208SC..SBendtrans-56.6-34172-69.2-79.4000111K39 L91 S92K39-D137 VanDerWaalsContact CE-OD1 3.3Å; K39-D137 WeakPolarHBondContact CE-OD1 3.32Å; K39-D137 IonicContact NZ-OD1 3.72Å; K39-D137 PolarHBondContact NZ-OD1 3.41Å; K39-D137 IonicContact NZ-OD2 3.19Å; K39-D137 PolarHBondContact NZ-OD2 3.12Å; L91-D137 HydrophobicContact CD1-CB 3.73Å; S92-D137 PolarHBondContact N-OD2 2.69Å; S92-D137 WeakPolarHBondContact O-CB 3.36Å; S92-D137 PolarHBondContact O-N 2.71Å; S92-D137 PolarHBondContact OG-N 3.34Å; S92-D137 PolarHBondContact OG-OD2 2.98Å
138Y98.3Very high98.1Very high80 Ų8042.6 Ų42.631%0.31420%0.2SC..EExtended strand (participates in β ladder)trans-149.6127.9168.4-169.5-116.3000111.8S92 C94 F136 I315 N318 Y319S92-Y138 PolarHBondContact O-N 2.8Å; C94-Y138 PolarHBondContact N-O 3.15Å; F136-Y138 PolarHBondContact O-N 3.38Å; Y138-I315 HydrophobicContact CD1-CG2 3.51Å; Y138-I315 VanDerWaalsContact CD1-O 3.26Å; Y138-I315 WeakPolarHBondContact CD1-O 3.44Å; Y138-I315 HydrophobicContact CE1-CG2 3.93Å; Y138-I315 WeakPolarHBondContact CE1-O 3.36Å; Y138-N318 HydrophobicContact CE1-CB 3.83Å; Y138-Y319 HydrophobicContact CD2-CD2 4.25Å; Y138-Y319 HydrophobicContact CG-CD2 4.07Å; Y138-Y319 HydrophobicContact CG-CG 4.28Å
139F98.5Very high98.2Very high38 Ų3847.9 Ų47.917%0.16723%0.225CC..EExtended strand (participates in β ladder)trans-107.595.2172.1-167.6-91.6000109.5P58 C94 T96 H122 C126 Y129 F136P58-F139 HydrophobicContact CG-CZ 4.24Å; C94-F139 HydrophobicContact CB-CD2 3.86Å; C94-F139 HydrophobicContact CB-CE2 3.95Å; C94-F139 CarbonylContact O-C 3.55Å; C94-F139 VanDerWaalsContact O-CA 3.28Å; C94-F139 WeakPolarHBondContact O-CA 3.42Å; T96-F139 HydrophobicContact CG2-CE1 4.06Å; T96-F139 HydrophobicContact CG2-CZ 4.13Å; H122-F139 AromaticContact CE1-CD1 3.71Å; H122-F139 AromaticContact CE1-CE1 3.74Å; H122-F139 AromaticContact ND1-CE1 3.95Å; C126-F139 VanDerWaalsContact SG-CD1 3.59Å; Y129-F139 HydrophobicContact CD2-CD2 4.39Å; Y129-F139 HydrophobicContact CD2-CE1 4.36Å; Y129-F139 AromaticContact CD2-CE2 3.72Å; Y129-F139 HydrophobicContact CD2-CE2 3.72Å; Y129-F139 AromaticContact CD2-CZ 3.72Å; Y129-F139 HydrophobicContact CD2-CZ 3.72Å; Y129-F139 HydrophobicContact CE2-CE1 4.37Å; Y129-F139 AromaticContact CE2-CE2 3.68Å; Y129-F139 HydrophobicContact CE2-CE2 3.68Å; Y129-F139 AromaticContact CE2-CZ 3.47Å; Y129-F139 HydrophobicContact CE2-CZ 3.47Å; Y129-F139 VanDerWaalsContact CE2-CZ 3.47Å; F136-F139 AromaticContact CD2-CD2 3.72Å; F136-F139 HydrophobicContact CD2-CD2 3.72Å; F136-F139 HydrophobicContact CD2-CE2 4.46Å; F136-F139 HydrophobicContact CE2-CD2 4.05Å; F136-F139 HydrophobicContact CE2-CE2 4.36Å
140G98.4Very high98.2Very high2 Ų247.6 Ų47.62%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-101-156.4-17200000114.8C94 G95 T96 H122C94-G140 PolarHBondContact O-N 3.39Å; G95-G140 CarbonylContact C-O 3.54Å; G95-G140 WeakPolarHBondContact CA-O 3.48Å; T96-G140 PolarHBondContact N-O 2.88Å; T96-G140 VanDerWaalsContact N-O 3.08Å; H122-G140 PolarHBondContact CE1-O 3.45Å
141R98.7Very high98.2Very high37 Ų3740.5 Ų40.514%0.1419%0.193CC..EExtended strand (participates in β ladder)trans-146.1147.7-171.2-59-176.370174.8-5.3110.4E98 D119 H122 T144E98-R141 VanDerWaalsContact OE1-CB 3.25Å; E98-R141 WeakPolarHBondContact OE1-CB 3.31Å; E98-R141 VanDerWaalsContact OE1-CG 3.25Å; E98-R141 WeakPolarHBondContact OE1-CG 3.37Å; E98-R141 IonicContact OE1-CZ 2.86Å; E98-R141 IonicContact OE1-NE 3.56Å; E98-R141 PolarHBondContact OE1-NE 3.15Å; E98-R141 IonicContact OE1-NH2 2.71Å; E98-R141 IonicContact OE2-CZ 3Å; E98-R141 IonicContact OE2-NE 3.58Å; E98-R141 PolarHBondContact OE2-NE 3.16Å; E98-R141 IonicContact OE2-NH2 2.68Å; E98-R141 PolarHBondContact OE2-NH2 3.06Å; D119-R141 IonicContact OD1-CZ 3.77Å; D119-R141 IonicContact OD1-NH1 3.49Å; D119-R141 PolarHBondContact OD1-NH1 3.43Å; D119-R141 IonicContact OD1-NH2 3.96Å; D119-R141 PolarHBondContact OD1-NH2 3.15Å; H122-R141 WeakPolarHBondContact CE1-CG 3.43Å; R141-T144 HydrophobicContact CB-CG2 4.44Å
142T98.7Very high98.2Very high0 Ų039.7 Ų39.70%019%0.192CC..SBendtrans-81.4-16.1173.657.10000113.4L57 T96 E98 Y99 T144 H147L57-T142 HydrophobicContact CD1-CG2 3.81Å; T96-T142 PolarHBondContact O-N 2.89Å; T96-T142 PolarHBondContact O-OG1 3.38Å; E98-T142 PolarHBondContact N-OG1 3.15Å; E98-T142 VanDerWaalsContact N-OG1 3.12Å; Y99-T142 WeakPolarHBondContact CE2-O 3.31Å; T142-T144 VanDerWaalsContact C-N 3.33Å; T142-T144 PolarHBondContact O-N 3.1Å; T142-H147 WeakPolarHBondContact O-CB 3.43Å; T142-H147 PolarHBondContact O-CD2 3.25Å
143T98.2Very high98.2Very high11 Ų1141.9 Ų41.97%0.06720%0.202CC..SBendtrans-87.765.1178.1620000112.5E98 Y99 W288E98-T143 HydrophobicContact CB-CG2 3.53Å; E98-T143 HydrophobicContact CG-CG2 4.44Å; E98-T143 PolarHBondContact OE2-OG1 3.09Å; Y99-T143 HydrophobicContact CD1-CG2 4.02Å; Y99-T143 HydrophobicContact CE1-CG2 3.56Å; Y99-T143 HydrophobicContact CE2-CG2 4.16Å; T143-W288 HydrophobicContact CG2-CH2 4.2Å; T143-W288 HydrophobicContact CG2-CZ2 3.55Å
144T98.5Very high98.2Very high29 Ų2940.4 Ų40.418%0.17820%0.195CC..SBendtrans-131.2158178.666.20000112.1R141 T142 Q146 H147 T148 N318R141-T144 HydrophobicContact CB-CG2 4.44Å; T142-T144 VanDerWaalsContact C-N 3.33Å; T142-T144 PolarHBondContact O-N 3.1Å; T144-Q146 VanDerWaalsContact C-N 3.31Å; T144-Q146 PolarHBondContact O-N 3.06Å; T144-H147 WeakPolarHBondContact O-CB 3.39Å; T144-H147 PolarHBondContact O-N 3.43Å; T144-H147 VanDerWaalsContact O-N 3.12Å; T144-H147 WeakPolarHBondContact OG1-CB 3.49Å; T144-H147 PolarHBondContact OG1-N 3.37Å; T144-T148 PolarHBondContact O-N 3.49Å; T144-N318 PolarHBondContact OG1-ND2 3.45Å
145D98.4Very high98.2Very high145 Ų14540.3 Ų40.378%0.77520%0.195SC*.Hα-helixtrans-61.6-41.7176.8-61.6-17.4000111.3H147 T148 E149D145-H147 VanDerWaalsContact C-N 3.25Å; D145-H147 PolarHBondContact O-N 2.89Å; D145-T148 WeakPolarHBondContact O-CB 3.34Å; D145-T148 PolarHBondContact O-N 3.43Å; D145-T148 VanDerWaalsContact O-N 3.13Å; D145-E149 PolarHBondContact O-N 3.2Å
146Q98.2Very high98.4Very high59 Ų5940.5 Ų40.528%0.27619%0.193SC..Hα-helixtrans-58-36.8173.9-77.7-64.8-41.800112.6T144 E149 I150 A317T144-Q146 VanDerWaalsContact C-N 3.31Å; T144-Q146 PolarHBondContact O-N 3.06Å; Q146-E149 PolarHBondContact NE2-OE2 3.18Å; Q146-I150 WeakPolarHBondContact O-CB 3.36Å; Q146-I150 WeakPolarHBondContact O-CD1 3.43Å; Q146-I150 VanDerWaalsContact O-CG1 3.27Å; Q146-I150 WeakPolarHBondContact O-CG1 3.29Å; Q146-I150 PolarHBondContact O-N 3.47Å; Q146-A317 HydrophobicContact CB-CB 4.4Å; Q146-A317 HydrophobicContact CG-CB 4.44Å
147H98.7Very high98.4Very high0 Ų043.5 Ų43.50%020%0.204CC..Hα-helixtrans-65.2-46.7175.4-173.275.4000111.5Y99 T142 T144 D145 E149 I150 V151 V290 D307 S314Y99-H147 AromaticContact CE2-CD2 3.84Å; T142-H147 WeakPolarHBondContact O-CB 3.43Å; T142-H147 PolarHBondContact O-CD2 3.25Å; T144-H147 WeakPolarHBondContact O-CB 3.39Å; T144-H147 PolarHBondContact O-N 3.43Å; T144-H147 VanDerWaalsContact O-N 3.12Å; T144-H147 WeakPolarHBondContact OG1-CB 3.49Å; T144-H147 PolarHBondContact OG1-N 3.37Å; D145-H147 VanDerWaalsContact C-N 3.25Å; D145-H147 PolarHBondContact O-N 2.89Å; H147-E149 PolarHBondContact O-N 3.39Å; H147-I150 PolarHBondContact O-N 2.9Å; H147-V151 VanDerWaalsContact O-CB 3.31Å; H147-V151 WeakPolarHBondContact O-CB 3.36Å; H147-V151 WeakPolarHBondContact O-CG2 3.41Å; H147-V151 PolarHBondContact O-N 3.44Å; H147-V290 VanDerWaalsContact CD2-CG2 3.44Å; H147-V290 WeakPolarHBondContact CD2-CG2 3.46Å; H147-D307 PolarHBondContact CE1-O 3.49Å; H147-D307 VanDerWaalsContact CE1-O 3.32Å; H147-D307 IonicContact NE2-OD2 2.63Å; H147-S314 PolarHBondContact ND1-OG 3.27Å
148T98.6Very high98.4Very high29 Ų2941.1 Ų41.118%0.17819%0.191CC..Hα-helixtrans-58.2-48175.8-61.10000111.4T144 D145 I150 Q152 V290 P291T144-T148 PolarHBondContact O-N 3.49Å; D145-T148 WeakPolarHBondContact O-CB 3.34Å; D145-T148 PolarHBondContact O-N 3.43Å; D145-T148 VanDerWaalsContact O-N 3.13Å; T148-I150 PolarHBondContact O-N 2.95Å; T148-Q152 HydrophobicContact CG2-CG 4.43Å; T148-Q152 WeakPolarHBondContact O-CB 3.42Å; T148-Q152 VanDerWaalsContact O-CG 3.24Å; T148-Q152 WeakPolarHBondContact O-CG 3.35Å; T148-Q152 PolarHBondContact O-N 3.27Å; T148-V290 HydrophobicContact CG2-CG1 4.03Å; T148-P291 HydrophobicContact CG2-CG 4.24Å
149E98.6Very high98.4Very high111 Ų11141 Ų4152%0.51919%0.19SC..Hα-helixtrans-58-51-179.9-174.7-177.4174.800111.8D145 Q146 H147 Q152 E153D145-E149 PolarHBondContact O-N 3.2Å; Q146-E149 PolarHBondContact NE2-OE2 3.18Å; H147-E149 PolarHBondContact O-N 3.39Å; E149-Q152 PolarHBondContact O-N 3.35Å; E149-E153 PolarHBondContact O-N 3.12Å
150I98.5Very high98.3Very high2 Ų244.5 Ų44.51%0.0121%0.211CC..Hα-helixtrans-70.9-39.6-175.5-65.6165.6000111.3Q146 H147 T148 Q152 E153 V154 I310 M313 A317 W323Q146-I150 WeakPolarHBondContact O-CB 3.36Å; Q146-I150 WeakPolarHBondContact O-CD1 3.43Å; Q146-I150 VanDerWaalsContact O-CG1 3.27Å; Q146-I150 WeakPolarHBondContact O-CG1 3.29Å; Q146-I150 PolarHBondContact O-N 3.47Å; H147-I150 PolarHBondContact O-N 2.9Å; T148-I150 PolarHBondContact O-N 2.95Å; I150-Q152 VanDerWaalsContact C-N 3.34Å; I150-Q152 PolarHBondContact O-N 2.86Å; I150-E153 PolarHBondContact O-N 3.43Å; I150-V154 WeakPolarHBondContact O-CG2 3.41Å; I150-V154 PolarHBondContact O-N 2.98Å; I150-I310 HydrophobicContact CB-CG2 4.39Å; I150-I310 HydrophobicContact CG2-CG2 3.62Å; I150-M313 HydrophobicContact CG2-CB 4.26Å; I150-M313 HydrophobicContact CG2-CE 3.85Å; I150-A317 HydrophobicContact CD1-CB 3.66Å; I150-W323 HydrophobicContact CD1-CH2 4.06Å; I150-W323 HydrophobicContact CD1-CZ2 3.76Å; I150-W323 HydrophobicContact CG1-CH2 4.24Å; I150-W323 HydrophobicContact CG1-CZ2 4Å; I150-W323 HydrophobicContact CG2-CH2 4.41Å
151V98.7Very high98.3Very high0 Ų048.3 Ų48.30%023%0.227CC..Hα-helixtrans-61.2-45.7175.7170.80000110.3H147 E153 V154 F155 V290 F302 F306 D307 I310H147-V151 VanDerWaalsContact O-CB 3.31Å; H147-V151 WeakPolarHBondContact O-CB 3.36Å; H147-V151 WeakPolarHBondContact O-CG2 3.41Å; H147-V151 PolarHBondContact O-N 3.44Å; V151-E153 VanDerWaalsContact C-N 3.35Å; V151-V154 PolarHBondContact O-N 2.79Å; V151-F155 VanDerWaalsContact O-CB 3.31Å; V151-F155 WeakPolarHBondContact O-CB 3.33Å; V151-F155 PolarHBondContact O-N 2.74Å; V151-V290 HydrophobicContact CB-CG1 4.1Å; V151-V290 HydrophobicContact CG1-CB 4.35Å; V151-V290 HydrophobicContact CG1-CG1 3.89Å; V151-F302 HydrophobicContact CG1-CD2 3.63Å; V151-F302 HydrophobicContact CG1-CE2 3.97Å; V151-F302 HydrophobicContact CG1-CG 4.23Å; V151-F306 HydrophobicContact CG1-CE1 4.07Å; V151-D307 HydrophobicContact CB-CB 4.43Å; V151-D307 HydrophobicContact CG1-CB 3.76Å; V151-D307 HydrophobicContact CG2-CB 3.7Å; V151-I310 HydrophobicContact CB-CD1 4.45Å; V151-I310 HydrophobicContact CG1-CD1 4.43Å; V151-I310 HydrophobicContact CG2-CB 3.9Å; V151-I310 HydrophobicContact CG2-CD1 4.09Å; V151-I310 HydrophobicContact CG2-CG2 3.67Å
152Q98.6Very high98.2Very high53 Ų5348.1 Ų48.125%0.24824%0.236CC..Hα-helixtrans-66.3-35.4176.7-70.6-177.1-800112.3T148 E149 I150 K156 P291 P293 F302T148-Q152 HydrophobicContact CG2-CG 4.43Å; T148-Q152 WeakPolarHBondContact O-CB 3.42Å; T148-Q152 VanDerWaalsContact O-CG 3.24Å; T148-Q152 WeakPolarHBondContact O-CG 3.35Å; T148-Q152 PolarHBondContact O-N 3.27Å; E149-Q152 PolarHBondContact O-N 3.35Å; I150-Q152 VanDerWaalsContact C-N 3.34Å; I150-Q152 PolarHBondContact O-N 2.86Å; Q152-K156 VanDerWaalsContact O-CB 3.31Å; Q152-K156 WeakPolarHBondContact O-CB 3.19Å; Q152-K156 PolarHBondContact O-N 3.36Å; Q152-P291 PolarHBondContact NE2-O 2.9Å; Q152-P293 HydrophobicContact CB-CG 4.18Å; Q152-P293 HydrophobicContact CG-CB 4.28Å; Q152-P293 HydrophobicContact CG-CG 3.9Å; Q152-F302 HydrophobicContact CG-CE2 4.39Å
153E98.1Very high98.2Very high47 Ų4749.3 Ų49.322%0.2224%0.242CC..Hα-helixtrans-61.6-50.5173.3-170.2-168156.200111.2E149 I150 V151 K156 R157E149-E153 PolarHBondContact O-N 3.12Å; I150-E153 PolarHBondContact O-N 3.43Å; V151-E153 VanDerWaalsContact C-N 3.35Å; E153-K156 PolarHBondContact O-N 3.02Å; E153-R157 WeakPolarHBondContact O-CG 3.41Å; E153-R157 PolarHBondContact O-N 3.25Å; E153-R157 VanDerWaalsContact O-N 3.13Å; E153-R157 IonicContact OE1-CZ 3.59Å; E153-R157 IonicContact OE1-NE 3.95Å; E153-R157 PolarHBondContact OE1-NE 2.81Å; E153-R157 IonicContact OE1-NH2 2.66Å; E153-R157 PolarHBondContact OE1-NH2 3.25Å
154V98.3Very high98.2Very high0 Ų049.5 Ų49.50%024%0.242CC..Hα-helixtrans-61.6-46.9178.8172.70000110.2I150 V151 K156 R157 L158 I310I150-V154 WeakPolarHBondContact O-CG2 3.41Å; I150-V154 PolarHBondContact O-N 2.98Å; V151-V154 PolarHBondContact O-N 2.79Å; V154-K156 PolarHBondContact O-N 2.83Å; V154-R157 PolarHBondContact O-N 3.11Å; V154-L158 HydrophobicContact CG1-CD1 4.1Å; V154-L158 WeakPolarHBondContact O-CG 3.5Å; V154-L158 PolarHBondContact O-N 3.47Å; V154-L158 VanDerWaalsContact O-N 3.1Å; V154-I310 HydrophobicContact CB-CD1 4.05Å; V154-I310 HydrophobicContact CG1-CD1 3.99Å; V154-I310 HydrophobicContact CG2-CD1 4.38Å
155F98.4Very high98.1Very high3 Ų350.6 Ų50.61%0.01325%0.249CC..Hα-helixtrans-55.4-49.2175.9167.9-101.9000112V151 R157 L158 W159 I164 L235 I282 V292 P293 L294 F302 F306V151-F155 VanDerWaalsContact O-CB 3.31Å; V151-F155 WeakPolarHBondContact O-CB 3.33Å; V151-F155 PolarHBondContact O-N 2.74Å; F155-R157 VanDerWaalsContact C-N 3.3Å; F155-R157 PolarHBondContact O-N 2.85Å; F155-L158 WeakPolarHBondContact O-CB 3.3Å; F155-L158 PolarHBondContact O-N 2.8Å; F155-L158 VanDerWaalsContact O-N 3.1Å; F155-W159 HydrophobicContact CE1-CB 4.41Å; F155-W159 HydrophobicContact CE2-CE3 4.16Å; F155-W159 HydrophobicContact CZ-CB 4.31Å; F155-W159 HydrophobicContact CZ-CD2 4.22Å; F155-W159 AromaticContact CZ-CE3 3.67Å; F155-W159 HydrophobicContact CZ-CE3 3.67Å; F155-W159 HydrophobicContact CZ-CG 4.5Å; F155-W159 HydrophobicContact CZ-CZ3 4.41Å; F155-W159 WeakPolarHBondContact O-CB 3.32Å; F155-W159 PolarHBondContact O-N 3.06Å; F155-I164 HydrophobicContact CD2-CG1 4.37Å; F155-I164 HydrophobicContact CE2-CG1 4.08Å; F155-I164 HydrophobicContact CE2-CG2 4.17Å; F155-L235 HydrophobicContact CE2-CD1 3.63Å; F155-L235 HydrophobicContact CZ-CD1 3.64Å; F155-I282 HydrophobicContact CD2-CD1 4.16Å; F155-I282 HydrophobicContact CE2-CD1 4.24Å; F155-V292 HydrophobicContact CZ-CG1 4.49Å; F155-P293 HydrophobicContact CD1-CG 3.76Å; F155-P293 HydrophobicContact CE1-CG 3.96Å; F155-L294 HydrophobicContact CE1-CD1 4.21Å; F155-L294 HydrophobicContact CE1-CG 4.15Å; F155-L294 HydrophobicContact CZ-CD1 3.82Å; F155-L294 HydrophobicContact CZ-CG 4.26Å; F155-F302 HydrophobicContact CB-CE1 4.23Å; F155-F302 HydrophobicContact CB-CE2 4.44Å; F155-F302 HydrophobicContact CB-CZ 3.72Å; F155-F302 AromaticContact CD1-CZ 3.82Å; F155-F302 HydrophobicContact CD1-CZ 3.82Å; F155-F302 AromaticContact CD2-CE1 3.46Å; F155-F302 HydrophobicContact CD2-CE1 3.46Å; F155-F302 VanDerWaalsContact CD2-CE1 3.46Å; F155-F302 AromaticContact CD2-CZ 3.59Å; F155-F302 HydrophobicContact CD2-CZ 3.59Å; F155-F302 HydrophobicContact CE1-CZ 4.34Å; F155-F302 AromaticContact CE2-CE1 3.9Å; F155-F302 HydrophobicContact CE2-CE1 3.9Å; F155-F302 HydrophobicContact CE2-CZ 4.13Å; F155-F302 AromaticContact CG-CE1 3.8Å; F155-F302 HydrophobicContact CG-CE1 3.8Å; F155-F302 HydrophobicContact CG-CE2 4.46Å; F155-F302 AromaticContact CG-CZ 3.39Å; F155-F302 HydrophobicContact CG-CZ 3.39Å; F155-F302 HydrophobicContact CZ-CZ 4.48Å; F155-F306 HydrophobicContact CB-CE1 4.46Å; F155-F306 HydrophobicContact CB-CZ 4.29Å
156K98.1Very high98.1Very high127 Ų12747.9 Ų47.955%0.55223%0.232SC*.Hα-helixtrans-58.8-42.5-179.3-175.7178.9179.2-1770111.5Q152 E153 V154 L158 W159 D160Q152-K156 VanDerWaalsContact O-CB 3.31Å; Q152-K156 WeakPolarHBondContact O-CB 3.19Å; Q152-K156 PolarHBondContact O-N 3.36Å; E153-K156 PolarHBondContact O-N 3.02Å; V154-K156 PolarHBondContact O-N 2.83Å; K156-L158 VanDerWaalsContact C-N 3.34Å; K156-L158 PolarHBondContact O-N 2.97Å; K156-W159 WeakPolarHBondContact O-CB 3.44Å; K156-W159 PolarHBondContact O-N 3Å; K156-D160 WeakPolarHBondContact O-CB 3.26Å; K156-D160 PolarHBondContact O-N 2.81Å
157R98Very high97.8Very high91 Ų9149.8 Ų49.834%0.34324%0.243SC..Hα-helixtrans-61.5-41.8175.9-68.8176.5-177-84.1-0.6112.3E153 V154 F155 K161 A360E153-R157 WeakPolarHBondContact O-CG 3.41Å; E153-R157 PolarHBondContact O-N 3.25Å; E153-R157 VanDerWaalsContact O-N 3.13Å; E153-R157 IonicContact OE1-CZ 3.59Å; E153-R157 IonicContact OE1-NE 3.95Å; E153-R157 PolarHBondContact OE1-NE 2.81Å; E153-R157 IonicContact OE1-NH2 2.66Å; E153-R157 PolarHBondContact OE1-NH2 3.25Å; V154-R157 PolarHBondContact O-N 3.11Å; F155-R157 VanDerWaalsContact C-N 3.3Å; F155-R157 PolarHBondContact O-N 2.85Å; R157-K161 WeakPolarHBondContact O-CB 3.41Å; R157-K161 WeakPolarHBondContact O-CG 3.27Å; R157-K161 PolarHBondContact O-N 3.25Å; R157-K161 VanDerWaalsContact O-N 3.15Å; R157-A360 HydrophobicContact CB-CB 4.07Å
158L98.4Very high97.5Very high0 Ų052.9 Ų52.90%027%0.265CS..Hα-helixtrans-66.2-42.1176.9-65.4173000111.7V154 F155 K156 G162 F163 I164 L237 F306 C356 A359 A360V154-L158 HydrophobicContact CG1-CD1 4.1Å; V154-L158 WeakPolarHBondContact O-CG 3.5Å; V154-L158 PolarHBondContact O-N 3.47Å; V154-L158 VanDerWaalsContact O-N 3.1Å; F155-L158 WeakPolarHBondContact O-CB 3.3Å; F155-L158 PolarHBondContact O-N 2.8Å; F155-L158 VanDerWaalsContact O-N 3.1Å; K156-L158 VanDerWaalsContact C-N 3.34Å; K156-L158 PolarHBondContact O-N 2.97Å; L158-G162 PolarHBondContact O-N 2.97Å; L158-F163 HydrophobicContact CB-CB 4.47Å; L158-F163 HydrophobicContact CD2-CB 4.37Å; L158-F163 PolarHBondContact O-N 3.04Å; L158-I164 HydrophobicContact CB-CD1 3.92Å; L158-I164 HydrophobicContact CB-CG1 3.91Å; L158-I164 HydrophobicContact CD1-CD1 4.45Å; L158-L237 HydrophobicContact CD1-CD1 4.28Å; L158-F306 HydrophobicContact CD1-CE2 3.89Å; L158-F306 HydrophobicContact CD1-CZ 4.21Å; L158-C356 HydrophobicContact CD1-CB 4.15Å; L158-C356 WeakPolarHBondContact CD2-O 3.35Å; L158-A359 HydrophobicContact CD2-CB 3.37Å; L158-A360 HydrophobicContact CD2-CB 4.4Å
159W97.5Very high97Very high77 Ų7753.8 Ų53.829%0.29227%0.27SS..Hα-helixtrans-60.7-53.6176.3-179.2-87.9000111.4F155 K156 K161 G162 I164 E166 L235 L294F155-W159 HydrophobicContact CE1-CB 4.41Å; F155-W159 HydrophobicContact CE2-CE3 4.16Å; F155-W159 HydrophobicContact CZ-CB 4.31Å; F155-W159 HydrophobicContact CZ-CD2 4.22Å; F155-W159 AromaticContact CZ-CE3 3.67Å; F155-W159 HydrophobicContact CZ-CE3 3.67Å; F155-W159 HydrophobicContact CZ-CG 4.5Å; F155-W159 HydrophobicContact CZ-CZ3 4.41Å; F155-W159 WeakPolarHBondContact O-CB 3.32Å; F155-W159 PolarHBondContact O-N 3.06Å; K156-W159 WeakPolarHBondContact O-CB 3.44Å; K156-W159 PolarHBondContact O-N 3Å; W159-K161 PolarHBondContact O-N 3.34Å; W159-G162 WeakPolarHBondContact O-CA 3.35Å; W159-G162 PolarHBondContact O-N 3.26Å; W159-I164 HydrophobicContact CB-CG1 4.39Å; W159-I164 HydrophobicContact CE3-CB 3.73Å; W159-I164 HydrophobicContact CE3-CG1 4.4Å; W159-I164 HydrophobicContact CE3-CG2 3.62Å; W159-I164 HydrophobicContact CZ3-CB 4.29Å; W159-I164 HydrophobicContact CZ3-CG2 3.79Å; W159-E166 HydrophobicContact CH2-CG 4.16Å; W159-E166 HydrophobicContact CZ3-CG 4.39Å; W159-L235 HydrophobicContact CH2-CD2 4.42Å; W159-L235 HydrophobicContact CZ3-CD1 4.46Å; W159-L235 HydrophobicContact CZ3-CD2 3.74Å; W159-L294 HydrophobicContact CD2-CD1 4.39Å; W159-L294 HydrophobicContact CE3-CD1 4.03Å; W159-L294 HydrophobicContact CH2-CD1 3.76Å; W159-L294 HydrophobicContact CZ2-CD1 4.12Å; W159-L294 HydrophobicContact CZ3-CD1 3.71Å
160D97.3Very high96.7Very high111 Ų11153.1 Ų53.159%0.59427%0.268SS*.Hα-helixtrans-63.4-30.4-177.6-67.3-16000112.1K156 G162K156-D160 WeakPolarHBondContact O-CB 3.26Å; K156-D160 PolarHBondContact O-N 2.81Å; D160-G162 VanDerWaalsContact C-N 3.3Å
161K97.6Very high96.3Very high82 Ų8255.1 Ų55.136%0.35728%0.277SS..THydrogen-bonded Turntrans-85.11.9174.3-69.8-178.1172.8-176.80113.6R157 W159 F163 A359 A360 D361R157-K161 WeakPolarHBondContact O-CB 3.41Å; R157-K161 WeakPolarHBondContact O-CG 3.27Å; R157-K161 PolarHBondContact O-N 3.25Å; R157-K161 VanDerWaalsContact O-N 3.15Å; W159-K161 PolarHBondContact O-N 3.34Å; K161-F163 HydrophobicContact CB-CD2 3.67Å; K161-F163 HydrophobicContact CB-CE2 3.82Å; K161-A359 WeakPolarHBondContact CD-O 3.25Å; K161-A360 PolarHBondContact NZ-O 2.88Å; K161-D361 PolarHBondContact NZ-O 3.06Å; K161-D361 IonicContact NZ-OD2 3.8Å; K161-D361 PolarHBondContact NZ-OD2 3.36Å
162G97.6Very high96.1Very high33 Ų3355.3 Ų55.334%0.3428%0.278SS..THydrogen-bonded Turntrans68.233.3176.400000114.1L158 W159 D160 K241L158-G162 PolarHBondContact O-N 2.97Å; W159-G162 WeakPolarHBondContact O-CA 3.35Å; W159-G162 PolarHBondContact O-N 3.26Å; D160-G162 VanDerWaalsContact C-N 3.3Å; G162-K241 PolarHBondContact O-NZ 3.01Å
163F98.2Very high95.9Very high26 Ų2654.5 Ų54.511%0.11427%0.273CS..  trans-94.6-0.7172-71.3-77.1000113L158 K161 D238 K241 I242 A359L158-F163 HydrophobicContact CB-CB 4.47Å; L158-F163 HydrophobicContact CD2-CB 4.37Å; L158-F163 PolarHBondContact O-N 3.04Å; K161-F163 HydrophobicContact CB-CD2 3.67Å; K161-F163 HydrophobicContact CB-CE2 3.82Å; F163-D238 WeakPolarHBondContact O-CB 3.47Å; F163-D238 PolarHBondContact O-N 3.28Å; F163-K241 HydrophobicContact CD1-CB 4.07Å; F163-K241 HydrophobicContact CD1-CD 3.83Å; F163-K241 HydrophobicContact CD1-CG 4.06Å; F163-K241 HydrophobicContact CE1-CB 4.08Å; F163-K241 HydrophobicContact CE1-CD 3.88Å; F163-K241 HydrophobicContact CE1-CG 3.78Å; F163-I242 HydrophobicContact CD1-CB 4.33Å; F163-I242 HydrophobicContact CE1-CB 3.92Å; F163-I242 HydrophobicContact CE1-CD1 4Å; F163-I242 HydrophobicContact CE1-CG1 4.44Å; F163-I242 HydrophobicContact CZ-CD1 3.97Å; F163-A359 HydrophobicContact CD1-CB 4.15Å; F163-A359 HydrophobicContact CD2-CB 3.68Å; F163-A359 HydrophobicContact CE1-CB 4.26Å; F163-A359 HydrophobicContact CE2-CB 3.78Å; F163-A359 HydrophobicContact CG-CB 3.86Å; F163-A359 HydrophobicContact CZ-CB 4.08Å
164I98.2Very high95.7Very high14 Ų1452.3 Ų52.37%0.07226%0.263CS..EExtended strand (participates in β ladder)trans-109.7129.4174-53.5-55.6000108.8F155 L158 W159 L235 F236 L237 I282F155-I164 HydrophobicContact CD2-CG1 4.37Å; F155-I164 HydrophobicContact CE2-CG1 4.08Å; F155-I164 HydrophobicContact CE2-CG2 4.17Å; L158-I164 HydrophobicContact CB-CD1 3.92Å; L158-I164 HydrophobicContact CB-CG1 3.91Å; L158-I164 HydrophobicContact CD1-CD1 4.45Å; W159-I164 HydrophobicContact CB-CG1 4.39Å; W159-I164 HydrophobicContact CE3-CB 3.73Å; W159-I164 HydrophobicContact CE3-CG1 4.4Å; W159-I164 HydrophobicContact CE3-CG2 3.62Å; W159-I164 HydrophobicContact CZ3-CB 4.29Å; W159-I164 HydrophobicContact CZ3-CG2 3.79Å; I164-L235 HydrophobicContact CG2-CB 3.9Å; I164-L235 HydrophobicContact CG2-CD1 4.44Å; I164-L235 HydrophobicContact CG2-CD2 4.22Å; I164-L235 HydrophobicContact CG2-CG 4.42Å; I164-F236 CarbonylContact C-O 3.51Å; I164-F236 VanDerWaalsContact CA-O 3.3Å; I164-F236 WeakPolarHBondContact CA-O 3.37Å; I164-L237 HydrophobicContact CD1-CD1 4.02Å; I164-I282 HydrophobicContact CD1-CD1 3.7Å; I164-I282 HydrophobicContact CG2-CD1 4.5Å
165T96.9Very high95.5Very high53 Ų5357.5 Ų57.533%0.32529%0.287SS..EExtended strand (participates in β ladder)trans-115.2159.8174.2570000110.8L235 F236 D238T165-L235 CarbonylContact O-C 3.32Å; T165-L235 WeakPolarHBondContact O-CA 3.27Å; T165-F236 PolarHBondContact N-O 2.74Å; T165-F236 PolarHBondContact O-N 3.06Å; T165-D238 HydrophobicContact CG2-CB 4.33Å
166E96.4Very high95.3Very high88 Ų8864.3 Ų64.341%0.41132%0.316SS..EExtended strand (participates in β ladder)trans-111.5136.2177.3-56.4-166.9-127.500110.1W159 R233 H234 L235 Y297W159-E166 HydrophobicContact CH2-CG 4.16Å; W159-E166 HydrophobicContact CZ3-CG 4.39Å; E166-R233 IonicContact OE1-NH2 3.55Å; E166-R233 IonicContact OE2-CZ 2.97Å; E166-R233 IonicContact OE2-NE 3.83Å; E166-R233 IonicContact OE2-NH2 2.75Å; E166-R233 PolarHBondContact OE2-NH2 3.4Å; E166-H234 WeakPolarHBondContact CA-O 3.23Å; E166-L235 HydrophobicContact CG-CD2 3.73Å; E166-Y297 PolarHBondContact OE2-OH 3.11Å
167D93.9Very high94.9Very high98 Ų9860.2 Ų60.252%0.52430%0.304SS..EExtended strand (participates in β ladder)trans-149.3162.5171.9-158.9-2.5000110.6H234 F236D167-H234 PolarHBondContact N-O 3.14Å; D167-H234 PolarHBondContact O-N 2.69Å; D167-F236 HydrophobicContact CB-CD2 4Å; D167-F236 HydrophobicContact CB-CE2 3.57Å; D167-F236 HydrophobicContact CB-CZ 4.23Å
168S90.7Very high94.6Very high65 Ų6559.9 Ų59.946%0.45532%0.315SS..EExtended strand (participates in β ladder)trans-99.3135.6176.157.20000111.6S231 S232S168-S231 WeakPolarHBondContact CB-OG 3.28Å; S168-S232 WeakPolarHBondContact CA-O 3.5Å
169V89Confident94.1Very high48 Ų4862.1 Ų62.129%0.29133%0.325SS..EExtended strand (participates in β ladder)trans-116.9130.6176.1-173.30000109.5Q171 S232 H234 F236V169-Q171 HydrophobicContact CG1-CG 4.12Å; V169-S232 PolarHBondContact N-O 2.95Å; V169-S232 PolarHBondContact O-N 2.92Å; V169-H234 HydrophobicContact CG2-CB 4.32Å; V169-F236 HydrophobicContact CG2-CE2 4.43Å; V169-F236 HydrophobicContact CG2-CZ 3.78Å
170E91.1Very high93.8Very high98 Ų9860.2 Ų60.246%0.45832%0.319SS..EExtended strand (participates in β ladder)trans-75123.7171.3-65.5-57.813500110.3V229 S231E170-V229 HydrophobicContact CB-CG1 3.97Å; E170-V229 HydrophobicContact CG-CG1 4.45Å; E170-V229 WeakPolarHBondContact OE2-CG1 3.49Å; E170-S231 WeakPolarHBondContact OE1-CB 3.48Å; E170-S231 PolarHBondContact OE1-OG 2.88Å; E170-S231 PolarHBondContact OE2-N 2.78Å
171Q91Very high93.4Very high43 Ų4355.4 Ų55.420%0.20129%0.293CS..EExtended strand (participates in β ladder)trans-136.4156.1-177.5-70.7176.7-15.400111.3V169 F180 V229 R230 H234 D285V169-Q171 HydrophobicContact CG1-CG 4.12Å; Q171-F180 HydrophobicContact CB-CD1 3.64Å; Q171-F180 HydrophobicContact CB-CE1 4.09Å; Q171-V229 WeakPolarHBondContact O-CA 3.36Å; Q171-R230 PolarHBondContact N-O 3.48Å; Q171-R230 PolarHBondContact O-N 3.32Å; Q171-H234 PolarHBondContact NE2-NE2 3.07Å; Q171-H234 VanDerWaalsContact NE2-NE2 3.19Å; Q171-D285 PolarHBondContact OE1-OD2 2.97Å
172L94.1Very high92.8Very high5 Ų553 Ų533%0.02629%0.288CS..EExtended strand (participates in β ladder)trans-77.3125.2173.2-71.3177000110.5F180 L181 V186 A212 V213 P218 P227 V229L172-F180 WeakPolarHBondContact O-CA 3.48Å; L172-L181 PolarHBondContact O-N 3.22Å; L172-V186 HydrophobicContact CB-CG2 4.48Å; L172-V186 HydrophobicContact CD1-CB 4.37Å; L172-V186 HydrophobicContact CD1-CG1 3.51Å; L172-V186 HydrophobicContact CD1-CG2 3.95Å; L172-A212 HydrophobicContact CD1-CB 4Å; L172-A212 WeakPolarHBondContact CD1-O 3.32Å; L172-V213 HydrophobicContact CG-CG1 4.26Å; L172-P218 HydrophobicContact CD1-CB 3.79Å; L172-P218 HydrophobicContact CD1-CG 4.36Å; L172-P218 HydrophobicContact CD2-CG 4.22Å; L172-P227 HydrophobicContact CB-CB 4.06Å; L172-P227 HydrophobicContact CB-CG 4.18Å; L172-P227 HydrophobicContact CD1-CG 4.11Å; L172-P227 HydrophobicContact CD2-CB 4.35Å; L172-P227 HydrophobicContact CD2-CG 4.11Å; L172-P227 HydrophobicContact CG-CG 4.38Å; L172-V229 HydrophobicContact CD2-CG2 3.84Å
173Y94.4Very high92.1Very high36 Ų3655 Ų5514%0.14129%0.291CS..EExtended strand (participates in β ladder)trans-113.1126.4177.7-173.7-93.1000110.2E175 S178 K179 F180 P227 V228Y173-E175 HydrophobicContact CD1-CG 3.99Å; Y173-E175 HydrophobicContact CE1-CG 4.2Å; Y173-S178 VanDerWaalsContact OH-CA 3.26Å; Y173-S178 WeakPolarHBondContact OH-CA 3.29Å; Y173-S178 PolarHBondContact OH-O 3.2Å; Y173-K179 VanDerWaalsContact CD2-C 3.43Å; Y173-F180 AromaticContact CD2-CD1 3.9Å; Y173-F180 HydrophobicContact CD2-CD1 3.9Å; Y173-F180 AromaticContact CD2-CD2 3.9Å; Y173-F180 HydrophobicContact CD2-CD2 3.9Å; Y173-F180 AromaticContact CD2-CE1 3.99Å; Y173-F180 HydrophobicContact CD2-CE1 3.99Å; Y173-F180 AromaticContact CD2-CE2 3.98Å; Y173-F180 HydrophobicContact CD2-CE2 3.98Å; Y173-F180 AromaticContact CD2-CG 3.87Å; Y173-F180 HydrophobicContact CD2-CG 3.87Å; Y173-F180 HydrophobicContact CD2-CZ 4.03Å; Y173-F180 HydrophobicContact CE2-CD2 4.28Å; Y173-F180 HydrophobicContact CE2-CE2 4.31Å; Y173-P227 CarbonylContact O-C 3.57Å; Y173-P227 VanDerWaalsContact O-CA 3.24Å; Y173-P227 WeakPolarHBondContact O-CA 3.34Å; Y173-P227 VanDerWaalsContact O-CB 3.3Å; Y173-P227 WeakPolarHBondContact O-CB 3.42Å; Y173-V228 PolarHBondContact N-O 2.96Å; Y173-V228 PolarHBondContact O-N 3.09Å
174C94.7Very high91.3Very high1 Ų161.6 Ų61.61%0.00732%0.315CS..EExtended strand (participates in β ladder)trans-91.5112172.4-178.60000109.5K176 C177 S178 K179 L181 C220 C223C174-K176 VanDerWaalsContact C-N 3.34Å; C174-K176 PolarHBondContact O-N 3.02Å; C174-C177 HydrophobicContact CB-CB 4Å; C174-C177 PolarHBondContact O-N 2.95Å; C174-C177 PolarHBondContact SG-N 3.03Å; C174-C177 VanDerWaalsContact SG-N 3.36Å; C174-C177 VanDerWaalsContact SG-SG 3.62Å; C174-S178 WeakPolarHBondContact O-CA 3.45Å; C174-S178 PolarHBondContact O-N 3.42Å; C174-K179 PolarHBondContact N-O 3.13Å; C174-K179 PolarHBondContact O-N 3.39Å; C174-L181 HydrophobicContact CB-CD1 4.02Å; C174-L181 HydrophobicContact CB-CD2 3.81Å; C174-L181 HydrophobicContact CB-CG 3.99Å; C174-C220 HydrophobicContact CB-CB 4.26Å; C174-C223 PolarHBondContact SG-SG 3.03Å
175E94.5Very high90.8Very high109 Ų10962.2 Ų62.251%0.50932%0.317SS..THydrogen-bonded Turntrans-65.4-38.2-178.9-60.2-172.9130.200112.1Y173 S178 V228 R230Y173-E175 HydrophobicContact CD1-CG 3.99Å; Y173-E175 HydrophobicContact CE1-CG 4.2Å; E175-S178 PolarHBondContact O-N 3.13Å; E175-S178 PolarHBondContact O-OG 2.9Å; E175-S178 VanDerWaalsContact O-OG 3.13Å; E175-V228 HydrophobicContact CG-CG2 3.95Å; E175-R230 IonicContact OE1-CZ 3.64Å; E175-R230 IonicContact OE1-NH2 3.95Å; E175-R230 PolarHBondContact OE1-NH2 3.27Å
176K93.4Very high90.5Very high145 Ų14559.7 Ų59.763%0.6330%0.302SS*.THydrogen-bonded Turntrans-67.5-39.1177.9-177174.7176.7-177.30113.2C174 S178 C223 Q225C174-K176 VanDerWaalsContact C-N 3.34Å; C174-K176 PolarHBondContact O-N 3.02Å; K176-S178 VanDerWaalsContact C-N 3.28Å; K176-C223 HydrophobicContact CD-CB 4.06Å; K176-Q225 HydrophobicContact CB-CG 4.28Å; K176-Q225 HydrophobicContact CD-CG 3.8Å
177C90.4Very high90.4Very high42 Ų4257.4 Ų57.428%0.28429%0.291SS..THydrogen-bonded Turntrans-86.3-4.9175.1-61.10000112.5C174 K179 M222C174-C177 HydrophobicContact CB-CB 4Å; C174-C177 PolarHBondContact O-N 2.95Å; C174-C177 PolarHBondContact SG-N 3.03Å; C174-C177 VanDerWaalsContact SG-N 3.36Å; C174-C177 VanDerWaalsContact SG-SG 3.62Å; C177-K179 HydrophobicContact CB-CG 4.07Å; C177-K179 PolarHBondContact O-N 3.17Å; C177-M222 HydrophobicContact CB-CE 4.37Å
178S90.5Very high90.5Very high83 Ų8352.8 Ų52.858%0.5827%0.266SS*.THydrogen-bonded Turntrans4742.6-176.1-52.20000114.1Y173 C174 E175 K176Y173-S178 VanDerWaalsContact OH-CA 3.26Å; Y173-S178 WeakPolarHBondContact OH-CA 3.29Å; Y173-S178 PolarHBondContact OH-O 3.2Å; C174-S178 WeakPolarHBondContact O-CA 3.45Å; C174-S178 PolarHBondContact O-N 3.42Å; E175-S178 PolarHBondContact O-N 3.13Å; E175-S178 PolarHBondContact O-OG 2.9Å; E175-S178 VanDerWaalsContact O-OG 3.13Å; K176-S178 VanDerWaalsContact C-N 3.28Å
179K88.6Confident90.7Very high47 Ų4750.1 Ų50.120%0.20425%0.247CC..EExtended strand (participates in β ladder)trans-149.4155179.369.6177.6-173.9176.20113.6Y173 C174 C177 M222Y173-K179 VanDerWaalsContact CD2-C 3.43Å; C174-K179 PolarHBondContact N-O 3.13Å; C174-K179 PolarHBondContact O-N 3.39Å; C177-K179 HydrophobicContact CB-CG 4.07Å; C177-K179 PolarHBondContact O-N 3.17Å; K179-M222 HydrophobicContact CD-CE 4.39Å; K179-M222 WeakPolarHBondContact CE-SD 3.43Å; K179-M222 PolarHBondContact NZ-SD 3.11Å
180F90.5Very high91Very high38 Ų3847.8 Ų47.817%0.16723%0.234CC..EExtended strand (participates in β ladder)trans-65.6142.2165.4-69.4-80.2000110.3Q171 L172 Y173 R230 D285Q171-F180 HydrophobicContact CB-CD1 3.64Å; Q171-F180 HydrophobicContact CB-CE1 4.09Å; L172-F180 WeakPolarHBondContact O-CA 3.48Å; Y173-F180 AromaticContact CD2-CD1 3.9Å; Y173-F180 HydrophobicContact CD2-CD1 3.9Å; Y173-F180 AromaticContact CD2-CD2 3.9Å; Y173-F180 HydrophobicContact CD2-CD2 3.9Å; Y173-F180 AromaticContact CD2-CE1 3.99Å; Y173-F180 HydrophobicContact CD2-CE1 3.99Å; Y173-F180 AromaticContact CD2-CE2 3.98Å; Y173-F180 HydrophobicContact CD2-CE2 3.98Å; Y173-F180 AromaticContact CD2-CG 3.87Å; Y173-F180 HydrophobicContact CD2-CG 3.87Å; Y173-F180 HydrophobicContact CD2-CZ 4.03Å; Y173-F180 HydrophobicContact CE2-CD2 4.28Å; Y173-F180 HydrophobicContact CE2-CE2 4.31Å; F180-R230 HydrophobicContact CE1-CB 3.94Å; F180-R230 HydrophobicContact CZ-CB 4.33Å; F180-D285 HydrophobicContact CB-CB 3.75Å; F180-D285 HydrophobicContact CD2-CB 3.7Å; F180-D285 VanDerWaalsContact CD2-CG 3.45Å; F180-D285 WeakPolarHBondContact CD2-OD1 3.28Å; F180-D285 HydrophobicContact CG-CB 4.04Å
181L89Confident91.2Very high10 Ų1044.9 Ų44.95%0.05222%0.223CC..PPolyproline II helixtrans-100.8118-178.2-59.3-179.1000109.2L172 C174 F185 V186 C220 M222 P227L172-L181 PolarHBondContact O-N 3.22Å; C174-L181 HydrophobicContact CB-CD1 4.02Å; C174-L181 HydrophobicContact CB-CD2 3.81Å; C174-L181 HydrophobicContact CB-CG 3.99Å; L181-F185 HydrophobicContact CB-CB 4.48Å; L181-F185 HydrophobicContact CD2-CB 4.24Å; L181-V186 HydrophobicContact CB-CG2 3.52Å; L181-V186 HydrophobicContact CD1-CG2 3.93Å; L181-V186 HydrophobicContact CG-CG2 4.4Å; L181-C220 HydrophobicContact CD1-CB 3.83Å; L181-M222 HydrophobicContact CD2-CE 3.55Å; L181-P227 HydrophobicContact CD1-CB 3.77Å; L181-P227 HydrophobicContact CD1-CG 3.97Å
182A85Confident91.2Very high32 Ų3247.8 Ų47.826%0.26424%0.239SC..PPolyproline II helixtrans-63.4154.8162.300000110.3T101 R184 F185T101-A182 HydrophobicContact CG2-CB 3.63Å; A182-R184 PolarHBondContact O-N 2.88Å; A182-F185 HydrophobicContact CB-CD2 4.16Å; A182-F185 WeakPolarHBondContact O-CA 3.41Å; A182-F185 PolarHBondContact O-N 3.08Å
183D84Confident91.3Very high73 Ų7349.6 Ų49.639%0.3925%0.252SS..G310 helixtrans-50.1-35.4-177.3-59.4-17.9000113.6F185 V186 G200 D201D183-F185 PolarHBondContact O-N 3.49Å; D183-V186 PolarHBondContact O-N 3.06Å; D183-G200 PolarHBondContact O-N 3.41Å; D183-D201 HydrophobicContact CB-CB 3.92Å
184R81.6Confident91.3Very high165 Ų16553.4 Ų53.462%0.62327%0.269SS*.G310 helixtrans-68.2-18.8178.2-60.5-173.6-172-171.94.3114.4A182A182-R184 PolarHBondContact O-N 2.88Å
185F86.7Confident91.3Very high27 Ų2756.9 Ų56.912%0.11828%0.283CS..G310 helixtrans-101.58.6177.2-61.3-50.1000112.8T101 A105 L181 A182 D183 K221 M222T101-F185 HydrophobicContact CG2-CD2 4.29Å; T101-F185 HydrophobicContact CG2-CE2 3.6Å; T101-F185 HydrophobicContact CG2-CZ 4.27Å; A105-F185 HydrophobicContact CB-CE1 3.85Å; A105-F185 HydrophobicContact CB-CZ 3.64Å; L181-F185 HydrophobicContact CB-CB 4.48Å; L181-F185 HydrophobicContact CD2-CB 4.24Å; A182-F185 HydrophobicContact CB-CD2 4.16Å; A182-F185 WeakPolarHBondContact O-CA 3.41Å; A182-F185 PolarHBondContact O-N 3.08Å; D183-F185 PolarHBondContact O-N 3.49Å; F185-K221 PolarHBondContact O-N 2.8Å; F185-M222 HydrophobicContact CB-CE 4.31Å; F185-M222 HydrophobicContact CD1-CG 4.37Å; F185-M222 HydrophobicContact CD1-SD 4.41Å; F185-M222 HydrophobicContact CG-CE 4.36Å
186V91.5Very high91.2Very high1 Ų157.3 Ų57.31%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-117131.5176.6-172.40000109.1L172 L181 D183 G200 A212 L215 P218L172-V186 HydrophobicContact CB-CG2 4.48Å; L172-V186 HydrophobicContact CD1-CB 4.37Å; L172-V186 HydrophobicContact CD1-CG1 3.51Å; L172-V186 HydrophobicContact CD1-CG2 3.95Å; L181-V186 HydrophobicContact CB-CG2 3.52Å; L181-V186 HydrophobicContact CD1-CG2 3.93Å; L181-V186 HydrophobicContact CG-CG2 4.4Å; D183-V186 PolarHBondContact O-N 3.06Å; V186-G200 PolarHBondContact O-N 3.49Å; V186-A212 HydrophobicContact CB-CB 4.41Å; V186-A212 HydrophobicContact CG1-CB 4.41Å; V186-A212 HydrophobicContact CG2-CB 4.33Å; V186-L215 HydrophobicContact CG1-CD1 3.64Å; V186-P218 HydrophobicContact CG1-CB 4.12Å
187E94.2Very high91.2Very high40 Ų4054.1 Ų54.119%0.18728%0.275CS..EExtended strand (participates in β ladder)trans-124.1161.2163.6-66.8175.8-178.700109.1A198 P218 R219 K221E187-A198 CarbonylContact C-O 3.27Å; E187-A198 VanDerWaalsContact CA-O 3.25Å; E187-A198 WeakPolarHBondContact CA-O 3.27Å; E187-P218 CarbonylContact O-C 3.59Å; E187-P218 WeakPolarHBondContact O-CA 3.44Å; E187-R219 HydrophobicContact CB-CG 4.05Å; E187-R219 PolarHBondContact N-O 2.9Å; E187-R219 VanDerWaalsContact O-CG 3.23Å; E187-R219 WeakPolarHBondContact O-CG 3.32Å; E187-R219 PolarHBondContact O-N 3.28Å; E187-R219 IonicContact OE2-CZ 3.47Å; E187-R219 IonicContact OE2-NE 3.68Å; E187-R219 PolarHBondContact OE2-NE 3.16Å; E187-R219 IonicContact OE2-NH2 3.81Å; E187-R219 PolarHBondContact OE2-NH2 2.92Å; E187-R219 VanDerWaalsContact OE2-NH2 3.07Å; E187-K221 WeakPolarHBondContact OE1-CD 3.11Å; E187-K221 WeakPolarHBondContact OE1-CE 3.46Å; E187-K221 IonicContact OE1-NZ 3.36Å; E187-K221 PolarHBondContact OE1-NZ 3.42Å
188G95.2Very high91.2Very high0 Ų052.1 Ų52.10%026%0.261CS..EExtended strand (participates in β ladder)trans179.9-173.4176.200000112.4H196 A198G188-H196 CarbonylContact C-O 3.58Å; G188-H196 VanDerWaalsContact C-O 3.32Å; G188-H196 CarbonylContact O-C 3.51Å; G188-H196 VanDerWaalsContact O-C 3.27Å; G188-A198 PolarHBondContact N-O 3.35Å; G188-A198 WeakPolarHBondContact O-CB 3.2Å; G188-A198 PolarHBondContact O-N 2.78Å
189V96.5Very high91.2Very high9 Ų951.7 Ų51.76%0.05525%0.247CC..EExtended strand (participates in β ladder)trans-84.2125.8178.5-175.20000109.9K194 Y195 H196 I216 E217V189-K194 HydrophobicContact CG1-CB 4.48Å; V189-Y195 CarbonylContact C-O 3.57Å; V189-Y195 VanDerWaalsContact CA-O 3.29Å; V189-Y195 WeakPolarHBondContact CA-O 3.19Å; V189-H196 HydrophobicContact CG2-CB 4.5Å; V189-H196 WeakPolarHBondContact CG2-ND1 3.39Å; V189-I216 WeakPolarHBondContact CA-O 3.49Å; V189-I216 HydrophobicContact CB-CB 3.95Å; V189-I216 HydrophobicContact CB-CG2 4.22Å; V189-I216 WeakPolarHBondContact CB-O 3.28Å; V189-I216 HydrophobicContact CG1-CB 4.48Å; V189-I216 PolarHBondContact N-O 2.83Å; V189-I216 PolarHBondContact O-N 3.36Å; V189-E217 HydrophobicContact CG2-CB 4.36Å
190C94.7Very high91.1Very high0 Ų049.5 Ų49.50%024%0.237CC..  trans-59.9125.5175.7177.20000110.4L192 C193 K194 Y195 A198 C203C190-L192 PolarHBondContact O-N 2.88Å; C190-L192 VanDerWaalsContact O-N 3.17Å; C190-C193 PolarHBondContact SG-N 3.27Å; C190-K194 WeakPolarHBondContact O-CA 3.41Å; C190-K194 PolarHBondContact O-N 2.95Å; C190-K194 VanDerWaalsContact O-N 3.08Å; C190-Y195 PolarHBondContact N-O 3.17Å; C190-A198 HydrophobicContact CB-CB 3.91Å; C190-C203 HydrophobicContact CB-CB 4.17Å
191P94.6Very high90.9Very high36 Ų3650 Ų5023%0.23424%0.242CC..THydrogen-bonded Turntrans-62.9-27.3-178.423.7-33.4000113.2K194 M210 I216P191-K194 PolarHBondContact O-NZ 2.93Å; P191-M210 HydrophobicContact CG-SD 4.44Å; P191-I216 HydrophobicContact CB-CD1 4.22Å; P191-I216 HydrophobicContact CB-CG1 4.31Å
192L92.3Very high90.7Very high104 Ų10452.4 Ų52.455%0.54525%0.253SS..THydrogen-bonded Turntrans-86.6-64.6-177.7-117.9157.6000113.7C190 R208C190-L192 PolarHBondContact O-N 2.88Å; C190-L192 VanDerWaalsContact O-N 3.17Å; L192-R208 HydrophobicContact CD1-CG 4.45Å
193C94.8Very high90.8Very high44 Ų4450.9 Ų50.930%0.29724%0.24SC..THydrogen-bonded Turntrans-99.12.8-170.272.20000113.8C190 Y195 C206C190-C193 PolarHBondContact SG-N 3.27Å; C193-Y195 PolarHBondContact O-N 3.07Å; C193-Y195 VanDerWaalsContact O-N 3.14Å; C193-C206 HydrophobicContact CB-CB 3.95Å; C193-C206 VanDerWaalsContact SG-SG 3.66Å
194K95.5Very high90.9Very high116 Ų11651.7 Ų51.750%0.50424%0.244SC..  trans57.424.7-179.3-48.7-54.2-175.7-165.80114.4V189 C190 P191 H196V189-K194 HydrophobicContact CG1-CB 4.48Å; C190-K194 WeakPolarHBondContact O-CA 3.41Å; C190-K194 PolarHBondContact O-N 2.95Å; C190-K194 VanDerWaalsContact O-N 3.08Å; P191-K194 PolarHBondContact O-NZ 2.93Å; K194-H196 PolarHBondContact O-N 3.41Å
195Y93.3Very high91.1Very high73 Ų7350.9 Ų50.929%0.28625%0.245SC..  trans-65.2123.7169.6-179.1-124.7000110.2V189 C190 C193 D197 A198 K205V189-Y195 CarbonylContact C-O 3.57Å; V189-Y195 VanDerWaalsContact CA-O 3.29Å; V189-Y195 WeakPolarHBondContact CA-O 3.19Å; C190-Y195 PolarHBondContact N-O 3.17Å; C193-Y195 PolarHBondContact O-N 3.07Å; C193-Y195 VanDerWaalsContact O-N 3.14Å; Y195-D197 VanDerWaalsContact C-N 3.33Å; Y195-D197 HydrophobicContact CE1-CB 4Å; Y195-D197 VanDerWaalsContact CE1-O 3.31Å; Y195-D197 WeakPolarHBondContact CE1-O 3.21Å; Y195-D197 PolarHBondContact O-N 2.75Å; Y195-A198 HydrophobicContact CD1-CB 4.22Å; Y195-K205 HydrophobicContact CD1-CB 3.93Å; Y195-K205 HydrophobicContact CD2-CB 3.97Å; Y195-K205 HydrophobicContact CD2-CD 3.76Å; Y195-K205 HydrophobicContact CD2-CG 4.44Å; Y195-K205 HydrophobicContact CE1-CB 4.48Å; Y195-K205 HydrophobicContact CG-CB 3.63Å; Y195-K205 HydrophobicContact CG-CD 4Å; Y195-K205 HydrophobicContact CG-CG 4.45Å
196H93.3Very high91.3Very high118 Ų11852.3 Ų52.355%0.54626%0.258SS..THydrogen-bonded Turntrans-75.1-15.9-169.5-75.9-85.6000115.4G188 V189 K194 R219G188-H196 CarbonylContact C-O 3.58Å; G188-H196 VanDerWaalsContact C-O 3.32Å; G188-H196 CarbonylContact O-C 3.51Å; G188-H196 VanDerWaalsContact O-C 3.27Å; V189-H196 HydrophobicContact CG2-CB 4.5Å; V189-H196 WeakPolarHBondContact CG2-ND1 3.39Å; K194-H196 PolarHBondContact O-N 3.41Å; H196-R219 PolarHBondContact O-NH1 3.41Å; H196-R219 PolarHBondContact O-NH2 3.36Å
197D92.4Very high90.8Very high79 Ų7954.1 Ų54.142%0.42228%0.277SS..THydrogen-bonded Turntrans-121.536.6-174.5-55.1-30.6000112Y195 R219Y195-D197 VanDerWaalsContact C-N 3.33Å; Y195-D197 HydrophobicContact CE1-CB 4Å; Y195-D197 VanDerWaalsContact CE1-O 3.31Å; Y195-D197 WeakPolarHBondContact CE1-O 3.21Å; Y195-D197 PolarHBondContact O-N 2.75Å; D197-R219 IonicContact OD1-CZ 2.92Å; D197-R219 IonicContact OD1-NH1 3.81Å; D197-R219 IonicContact OD1-NH2 3.8Å; D197-R219 PolarHBondContact OD1-NH2 3.4Å
198A92.3Very high90.2Very high0 Ų057.3 Ų57.30%029%0.287CS..EExtended strand (participates in β ladder)trans-66.3142.1172.800000110.7E187 G188 C190 Y195 C203 L215E187-A198 CarbonylContact C-O 3.27Å; E187-A198 VanDerWaalsContact CA-O 3.25Å; E187-A198 WeakPolarHBondContact CA-O 3.27Å; G188-A198 PolarHBondContact N-O 3.35Å; G188-A198 WeakPolarHBondContact O-CB 3.2Å; G188-A198 PolarHBondContact O-N 2.78Å; C190-A198 HydrophobicContact CB-CB 3.91Å; Y195-A198 HydrophobicContact CD1-CB 4.22Å; A198-C203 HydrophobicContact CB-CB 3.95Å; A198-L215 HydrophobicContact CB-CD2 3.82Å
199R89.6Confident89.5Confident74 Ų7463.4 Ų63.428%0.27932%0.319SS..EExtended strand (participates in β ladder)trans-82.8163.1176.2-59.7-176.1-76.3122.1-5.1110.3D201 Q202 D204R199-D201 VanDerWaalsContact CB-OD1 3.25Å; R199-D201 WeakPolarHBondContact CB-OD1 3.38Å; R199-D201 IonicContact CZ-OD1 2.72Å; R199-D201 IonicContact CZ-OD2 3.48Å; R199-D201 IonicContact NH1-OD1 2.71Å; R199-D201 PolarHBondContact NH1-OD1 3.45Å; R199-D201 IonicContact NH1-OD2 3.72Å; R199-D201 PolarHBondContact NH1-OD2 3.2Å; R199-D201 PolarHBondContact O-N 2.99Å; R199-Q202 WeakPolarHBondContact CB-O 3.48Å; R199-Q202 PolarHBondContact N-O 2.7Å; R199-D204 IonicContact CZ-OD1 3.77Å; R199-D204 IonicContact CZ-OD2 3.83Å; R199-D204 IonicContact NE-OD1 3.55Å; R199-D204 PolarHBondContact NE-OD1 2.99Å; R199-D204 IonicContact NE-OD2 3.76Å; R199-D204 PolarHBondContact NE-OD2 3.27Å; R199-D204 IonicContact NH2-OD1 3.63Å; R199-D204 PolarHBondContact NH2-OD1 3.07Å; R199-D204 IonicContact NH2-OD2 2.76Å
200G87Confident88.9Confident0 Ų063.5 Ų63.50%032%0.319CS..SBendtrans-59.4-27.1179.300000114.8D183 V186 N211 A212D183-G200 PolarHBondContact O-N 3.41Å; V186-G200 PolarHBondContact O-N 3.49Å; G200-N211 CarbonylContact O-C 3.59Å; G200-A212 VanDerWaalsContact O-CA 3.31Å; G200-A212 WeakPolarHBondContact O-CA 3.34Å; G200-A212 PolarHBondContact O-N 3.16Å
201D85Confident88.6Confident50 Ų5068.4 Ų68.427%0.26735%0.345SS..SBendtrans-99.3-32.7-176.959.3-41.6000113.2D183 R199 L209 M210D183-D201 HydrophobicContact CB-CB 3.92Å; R199-D201 VanDerWaalsContact CB-OD1 3.25Å; R199-D201 WeakPolarHBondContact CB-OD1 3.38Å; R199-D201 IonicContact CZ-OD1 2.72Å; R199-D201 IonicContact CZ-OD2 3.48Å; R199-D201 IonicContact NH1-OD1 2.71Å; R199-D201 PolarHBondContact NH1-OD1 3.45Å; R199-D201 IonicContact NH1-OD2 3.72Å; R199-D201 PolarHBondContact NH1-OD2 3.2Å; R199-D201 PolarHBondContact O-N 2.99Å; D201-L209 WeakPolarHBondContact O-CA 3.37Å; D201-M210 PolarHBondContact O-N 3.48Å; D201-M210 VanDerWaalsContact O-N 3.11Å
202Q84.4Confident88.4Confident60 Ų6067.1 Ų67.128%0.2834%0.338SS..BIsolated β-bridgetrans-155.1141.3-171.8-169.8175.424.400112.2R199 G207 R208 L209R199-Q202 WeakPolarHBondContact CB-O 3.48Å; R199-Q202 PolarHBondContact N-O 2.7Å; Q202-G207 PolarHBondContact NE2-O 3.42Å; Q202-R208 WeakPolarHBondContact CA-O 3.42Å; Q202-L209 HydrophobicContact CB-CD2 4.16Å; Q202-L209 HydrophobicContact CG-CD2 4.11Å
203C89Confident88.4Confident0 Ų065 Ų650%033%0.329CS..  trans-86.5114.6164.7176.30000110.3C190 A198 K205 C206 G207 R208 M210C190-C203 HydrophobicContact CB-CB 4.17Å; A198-C203 HydrophobicContact CB-CB 3.95Å; C203-K205 PolarHBondContact O-N 3.14Å; C203-C206 VanDerWaalsContact SG-SG 3.6Å; C203-G207 VanDerWaalsContact O-CA 3.23Å; C203-G207 WeakPolarHBondContact O-CA 3.42Å; C203-G207 PolarHBondContact O-N 3.17Å; C203-R208 PolarHBondContact N-O 3.08Å; C203-M210 HydrophobicContact CB-CE 3.54Å
204D84.6Confident88.3Confident90 Ų9066.3 Ų66.348%0.48133%0.331SS..THydrogen-bonded Turntrans-67.6-17.7-179.3-65.3-41.4000113.5R199R199-D204 IonicContact CZ-OD1 3.77Å; R199-D204 IonicContact CZ-OD2 3.83Å; R199-D204 IonicContact NE-OD1 3.55Å; R199-D204 PolarHBondContact NE-OD1 2.99Å; R199-D204 IonicContact NE-OD2 3.76Å; R199-D204 PolarHBondContact NE-OD2 3.27Å; R199-D204 IonicContact NH2-OD1 3.63Å; R199-D204 PolarHBondContact NH2-OD1 3.07Å; R199-D204 IonicContact NH2-OD2 2.76Å
205K85.7Confident88.2Confident147 Ų14761.2 Ų61.264%0.63931%0.309SS*.THydrogen-bonded Turntrans-82.2-48.8178.4-171.9177.6-175.91800113.5Y195 C203Y195-K205 HydrophobicContact CD1-CB 3.93Å; Y195-K205 HydrophobicContact CD2-CB 3.97Å; Y195-K205 HydrophobicContact CD2-CD 3.76Å; Y195-K205 HydrophobicContact CD2-CG 4.44Å; Y195-K205 HydrophobicContact CE1-CB 4.48Å; Y195-K205 HydrophobicContact CG-CB 3.63Å; Y195-K205 HydrophobicContact CG-CD 4Å; Y195-K205 HydrophobicContact CG-CG 4.45Å; C203-K205 PolarHBondContact O-N 3.14Å
206C91.3Very high88.3Confident58 Ų5860.9 Ų60.939%0.39231%0.312SS..THydrogen-bonded Turntrans-103.1-3.8-17869.90000113.8C193 C203 R208C193-C206 HydrophobicContact CB-CB 3.95Å; C193-C206 VanDerWaalsContact SG-SG 3.66Å; C203-C206 VanDerWaalsContact SG-SG 3.6Å; C206-R208 PolarHBondContact O-N 3.23Å
207G81.3Confident88.4Confident39 Ų3961.7 Ų61.740%0.40232%0.316SS..  trans75.9-6.7178.600000115.4Q202 C203 L209Q202-G207 PolarHBondContact NE2-O 3.42Å; C203-G207 VanDerWaalsContact O-CA 3.23Å; C203-G207 WeakPolarHBondContact O-CA 3.42Å; C203-G207 PolarHBondContact O-N 3.17Å; G207-L209 PolarHBondContact O-N 3.17Å
208R82Confident88.5Confident106 Ų10658.7 Ų58.740%0.430%0.3SS..  trans-62.3131.8-177.6175.5172172.8178.8-10111.5L192 Q202 C203 C206 M210 E214L192-R208 HydrophobicContact CD1-CG 4.45Å; Q202-R208 WeakPolarHBondContact CA-O 3.42Å; C203-R208 PolarHBondContact N-O 3.08Å; C206-R208 PolarHBondContact O-N 3.23Å; R208-M210 HydrophobicContact CB-CE 4.05Å; R208-M210 HydrophobicContact CG-CE 3.99Å; R208-M210 WeakPolarHBondContact O-CE 3.49Å; R208-E214 IonicContact NH2-OE2 3.27Å; R208-E214 PolarHBondContact NH2-OE2 2.93Å
209L80.2Confident88.7Confident128 Ų12861.7 Ų61.767%0.6731%0.312SS*.BIsolated β-bridgetrans-77135.7163.8-61.7174.3000110D201 Q202 G207D201-L209 WeakPolarHBondContact O-CA 3.37Å; Q202-L209 HydrophobicContact CB-CD2 4.16Å; Q202-L209 HydrophobicContact CG-CD2 4.11Å; G207-L209 PolarHBondContact O-N 3.17Å
210M84.8Confident88.9Confident12 Ų1258.2 Ų58.26%0.05930%0.299CS..  trans-147.7162.1-179.460.2-163.369.900110.7P191 D201 C203 R208 L215P191-M210 HydrophobicContact CG-SD 4.44Å; D201-M210 PolarHBondContact O-N 3.48Å; D201-M210 VanDerWaalsContact O-N 3.11Å; C203-M210 HydrophobicContact CB-CE 3.54Å; R208-M210 HydrophobicContact CB-CE 4.05Å; R208-M210 HydrophobicContact CG-CE 3.99Å; R208-M210 WeakPolarHBondContact O-CE 3.49Å; M210-L215 HydrophobicContact SD-CD2 3.81Å
211N86.7Confident89Confident102 Ų10264 Ų6455%0.54532%0.324SS..  trans-85.2144.8168.5-58.9-64.2000109.6G200 V213 E214G200-N211 CarbonylContact O-C 3.59Å; N211-V213 HydrophobicContact CB-CG2 4.02Å; N211-V213 PolarHBondContact O-N 2.72Å; N211-V213 VanDerWaalsContact O-N 3.08Å; N211-E214 HydrophobicContact CB-CG 4.29Å; N211-E214 PolarHBondContact ND2-OE1 2.95Å; N211-E214 VanDerWaalsContact O-CB 3.3Å; N211-E214 WeakPolarHBondContact O-CB 3.47Å; N211-E214 PolarHBondContact O-N 3.04Å
212A90.3Very high89.1Confident9 Ų965 Ų657%0.07433%0.328CS..G310 helixtrans-58.6-30-176.400000113.3L172 V186 G200 E214 L215L172-A212 HydrophobicContact CD1-CB 4Å; L172-A212 WeakPolarHBondContact CD1-O 3.32Å; V186-A212 HydrophobicContact CB-CB 4.41Å; V186-A212 HydrophobicContact CG1-CB 4.41Å; V186-A212 HydrophobicContact CG2-CB 4.33Å; G200-A212 VanDerWaalsContact O-CA 3.31Å; G200-A212 WeakPolarHBondContact O-CA 3.34Å; G200-A212 PolarHBondContact O-N 3.16Å; A212-E214 PolarHBondContact O-N 3.29Å; A212-L215 WeakPolarHBondContact O-CB 3.23Å; A212-L215 PolarHBondContact O-N 2.85Å
213V92.5Very high89.5Confident61 Ų6163.4 Ų63.437%0.3732%0.323SS..G310 helixtrans-66.4-17175.6-62.60000113.9L172 N211 V229L172-V213 HydrophobicContact CG-CG1 4.26Å; N211-V213 HydrophobicContact CB-CG2 4.02Å; N211-V213 PolarHBondContact O-N 2.72Å; N211-V213 VanDerWaalsContact O-N 3.08Å; V213-V229 HydrophobicContact CG1-CG1 4.46Å; V213-V229 HydrophobicContact CG1-CG2 4.35Å
214E92.9Very high89.6Confident70 Ų7068.2 Ų68.233%0.32736%0.356SS..G310 helixtrans-84.2-10.5177-62.2172.6-151.500113R208 N211 A212R208-E214 IonicContact NH2-OE2 3.27Å; R208-E214 PolarHBondContact NH2-OE2 2.93Å; N211-E214 HydrophobicContact CB-CG 4.29Å; N211-E214 PolarHBondContact ND2-OE1 2.95Å; N211-E214 VanDerWaalsContact O-CB 3.3Å; N211-E214 WeakPolarHBondContact O-CB 3.47Å; N211-E214 PolarHBondContact O-N 3.04Å; A212-E214 PolarHBondContact O-N 3.29Å
215L93.8Very high90.1Very high9 Ų968.9 Ų68.95%0.04736%0.357CS..  trans-65.4135.9179.1-74.1171.2000111V186 A198 M210 A212 P218V186-L215 HydrophobicContact CG1-CD1 3.64Å; A198-L215 HydrophobicContact CB-CD2 3.82Å; M210-L215 HydrophobicContact SD-CD2 3.81Å; A212-L215 WeakPolarHBondContact O-CB 3.23Å; A212-L215 PolarHBondContact O-N 2.85Å; L215-P218 HydrophobicContact CB-CB 4.3Å
216I94.9Very high90.6Very high67 Ų6769 Ų6934%0.34436%0.357SS..EExtended strand (participates in β ladder)trans-79.9136.1169.4-62.2173.5000107.5V189 P191V189-I216 WeakPolarHBondContact CA-O 3.49Å; V189-I216 HydrophobicContact CB-CB 3.95Å; V189-I216 HydrophobicContact CB-CG2 4.22Å; V189-I216 WeakPolarHBondContact CB-O 3.28Å; V189-I216 HydrophobicContact CG1-CB 4.48Å; V189-I216 PolarHBondContact N-O 2.83Å; V189-I216 PolarHBondContact O-N 3.36Å; P191-I216 HydrophobicContact CB-CD1 4.22Å; P191-I216 HydrophobicContact CB-CG1 4.31Å
217E94.9Very high90.8Very high134 Ų13466.4 Ų66.463%0.62634%0.34SS*.EExtended strand (participates in β ladder)trans48.857.1-178-64179.216800113V189V189-E217 HydrophobicContact CG2-CB 4.36Å
218P95.7Very high91.5Very high16 Ų1667.1 Ų67.110%0.10434%0.336CS..EExtended strand (participates in β ladder)trans-62.3147177.729.2-33.8000109.3L172 V186 E187 L215 P227L172-P218 HydrophobicContact CD1-CB 3.79Å; L172-P218 HydrophobicContact CD1-CG 4.36Å; L172-P218 HydrophobicContact CD2-CG 4.22Å; V186-P218 HydrophobicContact CG1-CB 4.12Å; E187-P218 CarbonylContact O-C 3.59Å; E187-P218 WeakPolarHBondContact O-CA 3.44Å; L215-P218 HydrophobicContact CB-CB 4.3Å; P218-P227 VanDerWaalsContact C-CD 3.47Å; P218-P227 HydrophobicContact CB-CG 3.89Å; P218-P227 HydrophobicContact CG-CG 4.11Å; P218-P227 WeakPolarHBondContact O-CD 3.5Å
219R95.8Very high92.1Very high63 Ų6365.9 Ų65.924%0.23834%0.34CS..EExtended strand (participates in β ladder)trans-138.4139.5178.554.4177.5-171.2-95.3-1.1110E187 H196 D197 K221E187-R219 HydrophobicContact CB-CG 4.05Å; E187-R219 PolarHBondContact N-O 2.9Å; E187-R219 VanDerWaalsContact O-CG 3.23Å; E187-R219 WeakPolarHBondContact O-CG 3.32Å; E187-R219 PolarHBondContact O-N 3.28Å; E187-R219 IonicContact OE2-CZ 3.47Å; E187-R219 IonicContact OE2-NE 3.68Å; E187-R219 PolarHBondContact OE2-NE 3.16Å; E187-R219 IonicContact OE2-NH2 3.81Å; E187-R219 PolarHBondContact OE2-NH2 2.92Å; E187-R219 VanDerWaalsContact OE2-NH2 3.07Å; H196-R219 PolarHBondContact O-NH1 3.41Å; H196-R219 PolarHBondContact O-NH2 3.36Å; D197-R219 IonicContact OD1-CZ 2.92Å; D197-R219 IonicContact OD1-NH1 3.81Å; D197-R219 IonicContact OD1-NH2 3.8Å; D197-R219 PolarHBondContact OD1-NH2 3.4Å; R219-K221 PolarHBondContact O-N 3.46Å
220C94.4Very high92.8Very high1 Ų164.4 Ų64.41%0.00733%0.326CS..EExtended strand (participates in β ladder)trans-73121.1175179.80000109.9C174 L181 M222 C223 S224 Q225C174-C220 HydrophobicContact CB-CB 4.26Å; L181-C220 HydrophobicContact CD1-CB 3.83Å; C220-M222 PolarHBondContact O-N 3.39Å; C220-M222 VanDerWaalsContact O-N 3.13Å; C220-M222 VanDerWaalsContact SG-CE 3.55Å; C220-C223 PolarHBondContact O-N 3.28Å; C220-S224 VanDerWaalsContact O-CA 3.22Å; C220-S224 WeakPolarHBondContact O-CA 3.21Å; C220-S224 PolarHBondContact O-N 3.02Å; C220-Q225 WeakPolarHBondContact CB-O 3.3Å; C220-Q225 PolarHBondContact N-O 2.89Å
221K89.6Confident93.1Very high121 Ų12166.9 Ų66.953%0.52634%0.344SS..THydrogen-bonded Turntrans-62.2-22.4179.9-167.5169.5-176.6135.60114F185 E187 R219F185-K221 PolarHBondContact O-N 2.8Å; E187-K221 WeakPolarHBondContact OE1-CD 3.11Å; E187-K221 WeakPolarHBondContact OE1-CE 3.46Å; E187-K221 IonicContact OE1-NZ 3.36Å; E187-K221 PolarHBondContact OE1-NZ 3.42Å; R219-K221 PolarHBondContact O-N 3.46Å
222M86.5Confident93.3Very high73 Ų7362.3 Ų62.336%0.3632%0.32SS..THydrogen-bonded Turntrans-85.1-31.8-177.8-64.2171-6800113.9C177 K179 L181 F185 C220C177-M222 HydrophobicContact CB-CE 4.37Å; K179-M222 HydrophobicContact CD-CE 4.39Å; K179-M222 WeakPolarHBondContact CE-SD 3.43Å; K179-M222 PolarHBondContact NZ-SD 3.11Å; L181-M222 HydrophobicContact CD2-CE 3.55Å; F185-M222 HydrophobicContact CB-CE 4.31Å; F185-M222 HydrophobicContact CD1-CG 4.37Å; F185-M222 HydrophobicContact CD1-SD 4.41Å; F185-M222 HydrophobicContact CG-CE 4.36Å; C220-M222 PolarHBondContact O-N 3.39Å; C220-M222 VanDerWaalsContact O-N 3.13Å; C220-M222 VanDerWaalsContact SG-CE 3.55Å
223C92.2Very high93.5Very high26 Ų2668.2 Ų68.218%0.17634%0.341CS..THydrogen-bonded Turntrans-1362.2-172.6740000114.6C174 K176 C220 Q225C174-C223 PolarHBondContact SG-SG 3.03Å; K176-C223 HydrophobicContact CD-CB 4.06Å; C220-C223 PolarHBondContact O-N 3.28Å; C223-Q225 PolarHBondContact O-N 3.21Å
224S92.7Very high93.7Very high100 Ų10065.4 Ų65.470%0.69932%0.323SS*.  trans61.54.7179.6-50.70000115.9C220C220-S224 VanDerWaalsContact O-CA 3.22Å; C220-S224 WeakPolarHBondContact O-CA 3.21Å; C220-S224 PolarHBondContact O-N 3.02Å
225Q94Very high93.9Very high104 Ų10462 Ų6249%0.48631%0.308SS..PPolyproline II helixtrans-75.9152.4176.1-75.1-67.9-13.100112.3K176 C220 C223 P227K176-Q225 HydrophobicContact CB-CG 4.28Å; K176-Q225 HydrophobicContact CD-CG 3.8Å; C220-Q225 WeakPolarHBondContact CB-O 3.3Å; C220-Q225 PolarHBondContact N-O 2.89Å; C223-Q225 PolarHBondContact O-N 3.21Å; Q225-P227 WeakPolarHBondContact O-CD 3.45Å
226K95.9Very high94.1Very high150 Ų15063 Ų6365%0.65231%0.312SS*.PPolyproline II helixtrans-71.3118.3173.7-175.3177.5-180179.70109.5
227P95.9Very high94.2Very high4 Ų459.9 Ų59.93%0.02630%0.296CS..PPolyproline II helixtrans-75.5158.5172.531-27.4000110.9L172 Y173 L181 P218 Q225L172-P227 HydrophobicContact CB-CB 4.06Å; L172-P227 HydrophobicContact CB-CG 4.18Å; L172-P227 HydrophobicContact CD1-CG 4.11Å; L172-P227 HydrophobicContact CD2-CB 4.35Å; L172-P227 HydrophobicContact CD2-CG 4.11Å; L172-P227 HydrophobicContact CG-CG 4.38Å; Y173-P227 CarbonylContact O-C 3.57Å; Y173-P227 VanDerWaalsContact O-CA 3.24Å; Y173-P227 WeakPolarHBondContact O-CA 3.34Å; Y173-P227 VanDerWaalsContact O-CB 3.3Å; Y173-P227 WeakPolarHBondContact O-CB 3.42Å; L181-P227 HydrophobicContact CD1-CB 3.77Å; L181-P227 HydrophobicContact CD1-CG 3.97Å; P218-P227 VanDerWaalsContact C-CD 3.47Å; P218-P227 HydrophobicContact CB-CG 3.89Å; P218-P227 HydrophobicContact CG-CG 4.11Å; P218-P227 WeakPolarHBondContact O-CD 3.5Å; Q225-P227 WeakPolarHBondContact O-CD 3.45Å
228V95.8Very high94.3Very high54 Ų5455.2 Ų55.233%0.32728%0.275SS..EExtended strand (participates in β ladder)trans-109148.4175.2-66.20000109.8Y173 E175 R230Y173-V228 PolarHBondContact N-O 2.96Å; Y173-V228 PolarHBondContact O-N 3.09Å; E175-V228 HydrophobicContact CG-CG2 3.95Å; V228-R230 HydrophobicContact CG2-CG 4.15Å
229V94.9Very high94.4Very high79 Ų7954.4 Ų54.448%0.47927%0.27SS..EExtended strand (participates in β ladder)trans-75.1128.6173.2-179.40000108.4E170 Q171 L172 V213E170-V229 HydrophobicContact CB-CG1 3.97Å; E170-V229 HydrophobicContact CG-CG1 4.45Å; E170-V229 WeakPolarHBondContact OE2-CG1 3.49Å; Q171-V229 WeakPolarHBondContact O-CA 3.36Å; L172-V229 HydrophobicContact CD2-CG2 3.84Å; V213-V229 HydrophobicContact CG1-CG1 4.46Å; V213-V229 HydrophobicContact CG1-CG2 4.35Å
230R93.8Very high94.5Very high98 Ų9853.9 Ų53.937%0.3728%0.275SS..EExtended strand (participates in β ladder)trans-135145173.6-69.7-171.7-177-171.2-0.3110Q171 E175 F180 V228Q171-R230 PolarHBondContact N-O 3.48Å; Q171-R230 PolarHBondContact O-N 3.32Å; E175-R230 IonicContact OE1-CZ 3.64Å; E175-R230 IonicContact OE1-NH2 3.95Å; E175-R230 PolarHBondContact OE1-NH2 3.27Å; F180-R230 HydrophobicContact CE1-CB 3.94Å; F180-R230 HydrophobicContact CZ-CB 4.33Å; V228-R230 HydrophobicContact CG2-CG 4.15Å
231S92.2Very high94.7Very high64 Ų6459.3 Ų59.345%0.44830%0.298SS..EExtended strand (participates in β ladder)trans-78133.6173.3-142.40000111.2S168 E170S168-S231 WeakPolarHBondContact CB-OG 3.28Å; E170-S231 WeakPolarHBondContact OE1-CB 3.48Å; E170-S231 PolarHBondContact OE1-OG 2.88Å; E170-S231 PolarHBondContact OE2-N 2.78Å
232S91.3Very high95.1Very high6 Ų654.1 Ų54.14%0.04228%0.276CS..EExtended strand (participates in β ladder)trans-126.8126.6-179.7-170.70000109.7S168 V169 H234 D285 K300S168-S232 WeakPolarHBondContact CA-O 3.5Å; V169-S232 PolarHBondContact N-O 2.95Å; V169-S232 PolarHBondContact O-N 2.92Å; S232-H234 PolarHBondContact O-CD2 3.42Å; S232-H234 VanDerWaalsContact O-CD2 3.3Å; S232-H234 PolarHBondContact OG-NE2 3.29Å; S232-D285 PolarHBondContact OG-OD1 3.02Å; S232-D285 PolarHBondContact OG-OD2 3.25Å; S232-K300 PolarHBondContact OG-NZ 3.05Å
233R94.3Very high95.6Very high133 Ų13352.8 Ų52.850%0.50227%0.269SS..EExtended strand (participates in β ladder)trans-71.9137.1176.9-73.217766.3177.63.1110.8E166 Y297 K300E166-R233 IonicContact OE1-NH2 3.55Å; E166-R233 IonicContact OE2-CZ 2.97Å; E166-R233 IonicContact OE2-NE 3.83Å; E166-R233 IonicContact OE2-NH2 2.75Å; E166-R233 PolarHBondContact OE2-NH2 3.4Å; R233-Y297 HydrophobicContact CB-CE1 4.25Å; R233-K300 WeakPolarHBondContact O-CE 3.2Å; R233-K300 PolarHBondContact O-NZ 3.28Å
234H96.3Very high95.8Very high1 Ų158.3 Ų58.31%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-139.2150.2-178.8-78.6-72000112.2E166 D167 V169 Q171 S232 F236 T283 D285E166-H234 WeakPolarHBondContact CA-O 3.23Å; D167-H234 PolarHBondContact N-O 3.14Å; D167-H234 PolarHBondContact O-N 2.69Å; V169-H234 HydrophobicContact CG2-CB 4.32Å; Q171-H234 PolarHBondContact NE2-NE2 3.07Å; Q171-H234 VanDerWaalsContact NE2-NE2 3.19Å; S232-H234 PolarHBondContact O-CD2 3.42Å; S232-H234 VanDerWaalsContact O-CD2 3.3Å; S232-H234 PolarHBondContact OG-NE2 3.29Å; H234-F236 HydrophobicContact CB-CD2 4.43Å; H234-F236 HydrophobicContact CB-CE2 3.67Å; H234-F236 HydrophobicContact CB-CZ 4.21Å; H234-F236 WeakPolarHBondContact O-CD2 3.45Å; H234-T283 WeakPolarHBondContact CA-OG1 3.37Å; H234-T283 PolarHBondContact ND1-O 3.41Å; H234-T283 PolarHBondContact ND1-OG1 3.18Å; H234-D285 IonicContact CE1-OD2 3.07Å; H234-D285 PolarHBondContact CE1-OD2 3.47Å; H234-D285 IonicContact NE2-OD2 3.44Å; H234-D285 PolarHBondContact NE2-OD2 2.95Å; H234-D285 VanDerWaalsContact NE2-OD2 3.15Å
235L97.7Very high96.1Very high0 Ų058 Ų580%028%0.283CS..EExtended strand (participates in β ladder)trans-92.5142170.4-54.6-179000110.9F155 W159 I164 T165 E166 C281 I282 T283 V292 L294 Y297F155-L235 HydrophobicContact CE2-CD1 3.63Å; F155-L235 HydrophobicContact CZ-CD1 3.64Å; W159-L235 HydrophobicContact CH2-CD2 4.42Å; W159-L235 HydrophobicContact CZ3-CD1 4.46Å; W159-L235 HydrophobicContact CZ3-CD2 3.74Å; I164-L235 HydrophobicContact CG2-CB 3.9Å; I164-L235 HydrophobicContact CG2-CD1 4.44Å; I164-L235 HydrophobicContact CG2-CD2 4.22Å; I164-L235 HydrophobicContact CG2-CG 4.42Å; T165-L235 CarbonylContact O-C 3.32Å; T165-L235 WeakPolarHBondContact O-CA 3.27Å; E166-L235 HydrophobicContact CG-CD2 3.73Å; L235-C281 WeakPolarHBondContact O-CA 3.47Å; L235-I282 HydrophobicContact CB-CD1 4.29Å; L235-I282 HydrophobicContact CB-CG1 3.88Å; L235-I282 WeakPolarHBondContact O-CG1 3.46Å; L235-I282 PolarHBondContact O-N 3.26Å; L235-T283 HydrophobicContact CB-CG2 3.77Å; L235-T283 HydrophobicContact CD1-CG2 3.91Å; L235-T283 HydrophobicContact CG-CG2 3.85Å; L235-T283 PolarHBondContact N-OG1 2.85Å; L235-V292 HydrophobicContact CD1-CG1 3.82Å; L235-L294 HydrophobicContact CD1-CD1 4.04Å; L235-Y297 HydrophobicContact CD1-CD1 4.44Å; L235-Y297 HydrophobicContact CD2-CD1 4.44Å; L235-Y297 HydrophobicContact CD2-CD2 4.43Å; L235-Y297 HydrophobicContact CD2-CE1 3.76Å; L235-Y297 HydrophobicContact CD2-CE2 3.71Å; L235-Y297 WeakPolarHBondContact CD2-OH 3.06Å; L235-Y297 HydrophobicContact CG-CD1 4.04Å; L235-Y297 HydrophobicContact CG-CE1 3.7Å; L235-Y297 HydrophobicContact CG-CE2 4.29Å
236F97.5Very high96.3Very high29 Ų2953.1 Ų53.113%0.12726%0.26CS..EExtended strand (participates in β ladder)trans-126.5134.9179.5-65.2-105.9000110.5I164 T165 D167 V169 H234 D238 P279 R280 C281I164-F236 CarbonylContact C-O 3.51Å; I164-F236 VanDerWaalsContact CA-O 3.3Å; I164-F236 WeakPolarHBondContact CA-O 3.37Å; T165-F236 PolarHBondContact N-O 2.74Å; T165-F236 PolarHBondContact O-N 3.06Å; D167-F236 HydrophobicContact CB-CD2 4Å; D167-F236 HydrophobicContact CB-CE2 3.57Å; D167-F236 HydrophobicContact CB-CZ 4.23Å; V169-F236 HydrophobicContact CG2-CE2 4.43Å; V169-F236 HydrophobicContact CG2-CZ 3.78Å; H234-F236 HydrophobicContact CB-CD2 4.43Å; H234-F236 HydrophobicContact CB-CE2 3.67Å; H234-F236 HydrophobicContact CB-CZ 4.21Å; H234-F236 WeakPolarHBondContact O-CD2 3.45Å; F236-D238 PolarHBondContact O-N 2.88Å; F236-P279 HydrophobicContact CB-CB 4.24Å; F236-P279 HydrophobicContact CD1-CB 4.39Å; F236-R280 CarbonylContact C-O 3.52Å; F236-R280 VanDerWaalsContact CA-O 3.25Å; F236-R280 WeakPolarHBondContact CA-O 3.39Å; F236-C281 HydrophobicContact CD1-CB 3.81Å; F236-C281 HydrophobicContact CE1-CB 3.54Å; F236-C281 HydrophobicContact CG-CB 4.47Å; F236-C281 HydrophobicContact CZ-CB 3.97Å
237L97.3Very high96.4Very high2 Ų248.4 Ų48.41%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-76.8118.2166.1177.766.1000108.6L158 I164 L239 P279 R280 I282 V352 C356L158-L237 HydrophobicContact CD1-CD1 4.28Å; I164-L237 HydrophobicContact CD1-CD1 4.02Å; L237-L239 VanDerWaalsContact C-N 3.27Å; L237-L239 HydrophobicContact CD2-CD2 3.5Å; L237-L239 VanDerWaalsContact CD2-CD2 3.5Å; L237-L239 HydrophobicContact CD2-CG 4.14Å; L237-L239 HydrophobicContact CG-CD2 3.91Å; L237-L239 HydrophobicContact CG-CG 4.22Å; L237-L239 PolarHBondContact O-N 2.97Å; L237-P279 VanDerWaalsContact O-CA 3.31Å; L237-P279 WeakPolarHBondContact O-CA 3.44Å; L237-R280 PolarHBondContact N-O 2.82Å; L237-R280 PolarHBondContact O-N 2.77Å; L237-I282 HydrophobicContact CB-CG2 3.7Å; L237-V352 HydrophobicContact CD2-CG1 4.49Å; L237-C356 VanDerWaalsContact CD2-SG 3.59Å
238D97.6Very high96.5Very high35 Ų3551.4 Ų51.419%0.18726%0.26CS..  trans-79.173.9178.3-167.6-7.6000110.7F163 T165 F236 P240 K241F163-D238 WeakPolarHBondContact O-CB 3.47Å; F163-D238 PolarHBondContact O-N 3.28Å; T165-D238 HydrophobicContact CG2-CB 4.33Å; F236-D238 PolarHBondContact O-N 2.88Å; D238-P240 VanDerWaalsContact C-CD 3.46Å; D238-P240 VanDerWaalsContact OD1-CD 3.27Å; D238-P240 WeakPolarHBondContact OD1-CD 3.44Å; D238-K241 HydrophobicContact CB-CB 4.27Å; D238-K241 WeakPolarHBondContact O-CB 3.48Å; D238-K241 PolarHBondContact O-N 3.28Å; D238-K241 PolarHBondContact OD1-N 3.1Å
239L97.2Very high96.6Very high0 Ų049.4 Ų49.40%025%0.247CC..Hα-helixtrans-56-41.1175.7-68.4-179.4000114L237 K241 I242 E243 L277 R280 A355L237-L239 VanDerWaalsContact C-N 3.27Å; L237-L239 HydrophobicContact CD2-CD2 3.5Å; L237-L239 VanDerWaalsContact CD2-CD2 3.5Å; L237-L239 HydrophobicContact CD2-CG 4.14Å; L237-L239 HydrophobicContact CG-CD2 3.91Å; L237-L239 HydrophobicContact CG-CG 4.22Å; L237-L239 PolarHBondContact O-N 2.97Å; L239-K241 PolarHBondContact O-N 3.12Å; L239-I242 WeakPolarHBondContact O-CG2 3.33Å; L239-I242 PolarHBondContact O-N 2.68Å; L239-I242 VanDerWaalsContact O-N 3.12Å; L239-E243 PolarHBondContact O-N 2.89Å; L239-E243 VanDerWaalsContact O-N 3.11Å; L239-L277 HydrophobicContact CB-CB 3.79Å; L239-L277 HydrophobicContact CB-CD1 4.13Å; L239-R280 HydrophobicContact CD1-CB 4.45Å; L239-R280 HydrophobicContact CD1-CG 3.54Å; L239-R280 HydrophobicContact CG-CG 4.38Å; L239-A355 HydrophobicContact CD2-CB 3.59Å
240P97.9Very high96.7Very high52 Ų5245.7 Ų45.734%0.33823%0.225SC..Hα-helixtrans-51.1-40175-26.229.1000113.4D238 I242 E243 L277 P279D238-P240 VanDerWaalsContact C-CD 3.46Å; D238-P240 VanDerWaalsContact OD1-CD 3.27Å; D238-P240 WeakPolarHBondContact OD1-CD 3.44Å; P240-I242 VanDerWaalsContact C-N 3.27Å; P240-I242 PolarHBondContact O-N 3.14Å; P240-E243 WeakPolarHBondContact O-CB 3.49Å; P240-E243 PolarHBondContact O-N 3.13Å; P240-L277 WeakPolarHBondContact CG-O 3.33Å; P240-P279 HydrophobicContact CG-CG 4.24Å
241K97.8Very high96.9Very high115 Ų11545.6 Ų45.650%0.523%0.228SC..Hα-helixtrans-65-27.2-177.2-166.4179.7-179-173.70113.8G162 F163 D238 L239G162-K241 PolarHBondContact O-NZ 3.01Å; F163-K241 HydrophobicContact CD1-CB 4.07Å; F163-K241 HydrophobicContact CD1-CD 3.83Å; F163-K241 HydrophobicContact CD1-CG 4.06Å; F163-K241 HydrophobicContact CE1-CB 4.08Å; F163-K241 HydrophobicContact CE1-CD 3.88Å; F163-K241 HydrophobicContact CE1-CG 3.78Å; D238-K241 HydrophobicContact CB-CB 4.27Å; D238-K241 WeakPolarHBondContact O-CB 3.48Å; D238-K241 PolarHBondContact O-N 3.28Å; D238-K241 PolarHBondContact OD1-N 3.1Å; L239-K241 PolarHBondContact O-N 3.12Å
242I97.5Very high97.1Very high12 Ų1248.1 Ų48.16%0.06223%0.233CC..Hα-helixtrans-103.9-3.2179.6-163.162.8000113.1F163 L239 P240 N244 K245 L246 A355 L358 A359F163-I242 HydrophobicContact CD1-CB 4.33Å; F163-I242 HydrophobicContact CE1-CB 3.92Å; F163-I242 HydrophobicContact CE1-CD1 4Å; F163-I242 HydrophobicContact CE1-CG1 4.44Å; F163-I242 HydrophobicContact CZ-CD1 3.97Å; L239-I242 WeakPolarHBondContact O-CG2 3.33Å; L239-I242 PolarHBondContact O-N 2.68Å; L239-I242 VanDerWaalsContact O-N 3.12Å; P240-I242 VanDerWaalsContact C-N 3.27Å; P240-I242 PolarHBondContact O-N 3.14Å; I242-N244 VanDerWaalsContact C-N 3.32Å; I242-N244 PolarHBondContact O-N 3.13Å; I242-K245 HydrophobicContact CD1-CB 4.01Å; I242-K245 HydrophobicContact CD1-CD 3.99Å; I242-K245 PolarHBondContact O-N 3.11Å; I242-K245 VanDerWaalsContact O-N 3.12Å; I242-L246 PolarHBondContact O-N 3.24Å; I242-A355 HydrophobicContact CG2-CB 3.79Å; I242-L358 HydrophobicContact CG1-CB 4.5Å; I242-A359 HydrophobicContact CD1-CB 4.09Å; I242-A359 HydrophobicContact CG1-CB 4.08Å
243E97.5Very high97.4Very high45 Ų4550.8 Ų50.821%0.2124%0.242CC..Hα-helixtrans-54-43-170.3-172.7171.1141.900113.2L239 P240 K245 L246 N247 L273 L277L239-E243 PolarHBondContact O-N 2.89Å; L239-E243 VanDerWaalsContact O-N 3.11Å; P240-E243 WeakPolarHBondContact O-CB 3.49Å; P240-E243 PolarHBondContact O-N 3.13Å; E243-K245 PolarHBondContact O-N 3.38Å; E243-L246 PolarHBondContact O-N 2.8Å; E243-N247 WeakPolarHBondContact O-CB 3.39Å; E243-N247 PolarHBondContact O-N 3.16Å; E243-L273 HydrophobicContact CG-CD2 4.47Å; E243-L277 HydrophobicContact CB-CD1 4.2Å; E243-L277 HydrophobicContact CG-CD1 3.91Å; E243-L277 HydrophobicContact CG-CG 4.02Å; E243-L277 VanDerWaalsContact OE2-CB 3.24Å; E243-L277 WeakPolarHBondContact OE2-CB 3.49Å; E243-L277 WeakPolarHBondContact OE2-CG 3.36Å; E243-L277 PolarHBondContact OE2-N 3.39Å
244N97.5Very high97.6Very high141 Ų14146.8 Ų46.875%0.75423%0.23SC*.Hα-helixtrans-60.4-47.6179.3-70.7-21.5000112.7I242 L246 N247 T248I242-N244 VanDerWaalsContact C-N 3.32Å; I242-N244 PolarHBondContact O-N 3.13Å; N244-L246 VanDerWaalsContact C-N 3.31Å; N244-L246 PolarHBondContact O-N 3.43Å; N244-N247 PolarHBondContact O-N 2.99Å; N244-T248 PolarHBondContact O-N 3.28Å; N244-T248 VanDerWaalsContact O-N 3.1Å; N244-T248 PolarHBondContact O-OG1 2.98Å
245K97.4Very high97.6Very high95 Ų9553 Ų5341%0.41326%0.264SS..Hα-helixtrans-66.6-37.4179.8-169.7179-176.6-173.90110.7I242 E243 F249 L358 D361I242-K245 HydrophobicContact CD1-CB 4.01Å; I242-K245 HydrophobicContact CD1-CD 3.99Å; I242-K245 PolarHBondContact O-N 3.11Å; I242-K245 VanDerWaalsContact O-N 3.12Å; E243-K245 PolarHBondContact O-N 3.38Å; K245-F249 PolarHBondContact O-N 3.45Å; K245-F249 VanDerWaalsContact O-N 3.11Å; K245-L358 HydrophobicContact CD-CB 4.26Å; K245-L358 HydrophobicContact CD-CD2 4.33Å; K245-L358 HydrophobicContact CG-CD2 4.39Å; K245-L358 PolarHBondContact NZ-O 3.35Å; K245-D361 IonicContact NZ-OD1 3.55Å
246L98.1Very high97.5Very high0 Ų055.8 Ų55.80%028%0.278CS..Hα-helixtrans-66.5-43.7175.6-18067.6000111.8I242 E243 N244 T248 F249 V250 L273 L277 I351 P354 A355 L358I242-L246 PolarHBondContact O-N 3.24Å; E243-L246 PolarHBondContact O-N 2.8Å; N244-L246 VanDerWaalsContact C-N 3.31Å; N244-L246 PolarHBondContact O-N 3.43Å; L246-T248 PolarHBondContact O-N 2.98Å; L246-F249 HydrophobicContact CD1-CD1 4.14Å; L246-F249 WeakPolarHBondContact O-CB 3.37Å; L246-F249 PolarHBondContact O-N 2.97Å; L246-F249 VanDerWaalsContact O-N 3.17Å; L246-V250 HydrophobicContact CD1-CG2 4.28Å; L246-V250 HydrophobicContact CG-CG2 4.43Å; L246-V250 WeakPolarHBondContact O-CG2 3.39Å; L246-V250 PolarHBondContact O-N 3.37Å; L246-L273 HydrophobicContact CD2-CD2 4.04Å; L246-L273 HydrophobicContact CG-CD2 4.29Å; L246-L277 HydrophobicContact CD2-CD1 3.76Å; L246-I351 HydrophobicContact CD2-CB 4.31Å; L246-I351 HydrophobicContact CD2-CD1 4.18Å; L246-I351 HydrophobicContact CD2-CG2 3.73Å; L246-P354 HydrophobicContact CD1-CB 3.77Å; L246-A355 HydrophobicContact CD2-CB 4.31Å; L246-L358 HydrophobicContact CD1-CD1 4.1Å
247N97.9Very high97.3Very high51 Ų5160.5 Ų60.527%0.27332%0.315SS..Hα-helixtrans-60.4-47178.7-172.439.6000110.6E243 N244 F249 V250 E251 L273E243-N247 WeakPolarHBondContact O-CB 3.39Å; E243-N247 PolarHBondContact O-N 3.16Å; N244-N247 PolarHBondContact O-N 2.99Å; N247-F249 VanDerWaalsContact C-N 3.31Å; N247-F249 PolarHBondContact O-N 3.34Å; N247-V250 PolarHBondContact O-N 3.12Å; N247-E251 PolarHBondContact ND2-OE1 3.06Å; N247-E251 WeakPolarHBondContact O-CB 3.3Å; N247-E251 WeakPolarHBondContact O-CG 3.41Å; N247-E251 PolarHBondContact O-N 3.36Å; N247-E251 PolarHBondContact OD1-OE1 3.5Å; N247-L273 HydrophobicContact CB-CD2 4.43Å
248T98Very high97.1Very high68 Ų6863.3 Ų63.342%0.41734%0.335SS..Hα-helixtrans-57-43.8174.4-57.90000112.1N244 L246 Q252N244-T248 PolarHBondContact O-N 3.28Å; N244-T248 VanDerWaalsContact O-N 3.1Å; N244-T248 PolarHBondContact O-OG1 2.98Å; L246-T248 PolarHBondContact O-N 2.98Å; T248-Q252 HydrophobicContact CG2-CG 4.4Å; T248-Q252 VanDerWaalsContact O-CB 3.31Å; T248-Q252 WeakPolarHBondContact O-CB 3.48Å; T248-Q252 WeakPolarHBondContact O-CG 3Å; T248-Q252 PolarHBondContact O-N 3.29Å
249F98.1Very high97Very high12 Ų1262.4 Ų62.45%0.05333%0.331CS..Hα-helixtrans-60.5-48.4176.4162.6-100.5000112.1K245 L246 N247 Q252 R253 P354 L358 L366 V367K245-F249 PolarHBondContact O-N 3.45Å; K245-F249 VanDerWaalsContact O-N 3.11Å; L246-F249 HydrophobicContact CD1-CD1 4.14Å; L246-F249 WeakPolarHBondContact O-CB 3.37Å; L246-F249 PolarHBondContact O-N 2.97Å; L246-F249 VanDerWaalsContact O-N 3.17Å; N247-F249 VanDerWaalsContact C-N 3.31Å; N247-F249 PolarHBondContact O-N 3.34Å; F249-Q252 PolarHBondContact O-N 2.68Å; F249-R253 HydrophobicContact CD2-CG 4.17Å; F249-R253 HydrophobicContact CE2-CG 3.73Å; F249-R253 HydrophobicContact CZ-CG 3.92Å; F249-R253 VanDerWaalsContact O-CG 3.32Å; F249-R253 WeakPolarHBondContact O-CG 3.26Å; F249-R253 PolarHBondContact O-N 3.28Å; F249-P354 HydrophobicContact CD1-CB 4.13Å; F249-P354 HydrophobicContact CE1-CB 3.76Å; F249-P354 HydrophobicContact CE1-CG 3.99Å; F249-P354 HydrophobicContact CZ-CB 4.48Å; F249-L358 HydrophobicContact CB-CD1 3.99Å; F249-L358 HydrophobicContact CD1-CD1 4.43Å; F249-L358 HydrophobicContact CG-CD1 4.21Å; F249-L366 HydrophobicContact CD2-CD1 3.78Å; F249-L366 HydrophobicContact CE2-CB 3.64Å; F249-L366 HydrophobicContact CE2-CD1 3.71Å; F249-L366 HydrophobicContact CE2-CG 4.26Å; F249-L366 HydrophobicContact CZ-CB 3.95Å; F249-L366 HydrophobicContact CZ-CD1 4.46Å; F249-V367 HydrophobicContact CE1-CG1 4.39Å; F249-V367 HydrophobicContact CZ-CG1 3.9Å
250V98Very high97Very high1 Ų163.9 Ų63.91%0.00634%0.34CS..Hα-helixtrans-65.8-46.7-178.8172.90000110.9L246 N247 Q252 R253 I254 W261 L273L246-V250 HydrophobicContact CD1-CG2 4.28Å; L246-V250 HydrophobicContact CG-CG2 4.43Å; L246-V250 WeakPolarHBondContact O-CG2 3.39Å; L246-V250 PolarHBondContact O-N 3.37Å; N247-V250 PolarHBondContact O-N 3.12Å; V250-Q252 VanDerWaalsContact C-N 3.32Å; V250-Q252 PolarHBondContact O-N 3.29Å; V250-R253 PolarHBondContact O-N 2.84Å; V250-I254 HydrophobicContact CG1-CD1 3.62Å; V250-I254 HydrophobicContact CG1-CG1 4.27Å; V250-I254 WeakPolarHBondContact O-CG1 3.47Å; V250-I254 PolarHBondContact O-N 3.36Å; V250-W261 HydrophobicContact CG1-CZ3 4.22Å; V250-W261 HydrophobicContact CG2-CH2 4.41Å; V250-L273 HydrophobicContact CB-CD1 3.8Å; V250-L273 HydrophobicContact CG1-CD1 3.82Å; V250-L273 HydrophobicContact CG2-CD1 3.99Å
251E97.5Very high97Very high95 Ų9562.6 Ų62.644%0.44433%0.328SS..Hα-helixtrans-59.5-41.9177-74.7177.2178.200112N247 I254 N255N247-E251 PolarHBondContact ND2-OE1 3.06Å; N247-E251 WeakPolarHBondContact O-CB 3.3Å; N247-E251 WeakPolarHBondContact O-CG 3.41Å; N247-E251 PolarHBondContact O-N 3.36Å; N247-E251 PolarHBondContact OD1-OE1 3.5Å; E251-I254 PolarHBondContact O-N 3.47Å; E251-N255 WeakPolarHBondContact O-CB 3.39Å; E251-N255 PolarHBondContact O-N 2.99Å; E251-N255 PolarHBondContact O-ND2 3.31Å
252Q97.4Very high96.9Very high118 Ų11858.6 Ų58.655%0.55131%0.314SS*.Hα-helixtrans-62.3-43.7175.7-77.2174.3-600111.6T248 F249 V250 D256T248-Q252 HydrophobicContact CG2-CG 4.4Å; T248-Q252 VanDerWaalsContact O-CB 3.31Å; T248-Q252 WeakPolarHBondContact O-CB 3.48Å; T248-Q252 WeakPolarHBondContact O-CG 3Å; T248-Q252 PolarHBondContact O-N 3.29Å; F249-Q252 PolarHBondContact O-N 2.68Å; V250-Q252 VanDerWaalsContact C-N 3.32Å; V250-Q252 PolarHBondContact O-N 3.29Å; Q252-D256 WeakPolarHBondContact O-CB 3.43Å; Q252-D256 PolarHBondContact O-N 3.28Å
253R97.4Very high96.9Very high61 Ų6161.9 Ų61.923%0.2334%0.338CS..Hα-helixtrans-67-38.4179.2-70.6-67.4178.7-114.7-4.1113.1F249 V250 C259 W261 V367F249-R253 HydrophobicContact CD2-CG 4.17Å; F249-R253 HydrophobicContact CE2-CG 3.73Å; F249-R253 HydrophobicContact CZ-CG 3.92Å; F249-R253 VanDerWaalsContact O-CG 3.32Å; F249-R253 WeakPolarHBondContact O-CG 3.26Å; F249-R253 PolarHBondContact O-N 3.28Å; V250-R253 PolarHBondContact O-N 2.84Å; R253-C259 VanDerWaalsContact O-CB 3.27Å; R253-C259 WeakPolarHBondContact O-CB 3.46Å; R253-W261 HydrophobicContact CB-CD2 4.39Å; R253-W261 HydrophobicContact CB-CH2 4.47Å; R253-W261 HydrophobicContact CB-CZ2 3.7Å; R253-W261 HydrophobicContact CG-CZ2 4.02Å; R253-V367 PolarHBondContact NE-O 2.93Å; R253-V367 VanDerWaalsContact NE-O 3.09Å
254I97Very high96.7Very high50 Ų5060.4 Ų60.426%0.25633%0.332SS..Hα-helixtrans-69.6-37.5179.3-69.8175.7000111.5V250 E251 W261 C266V250-I254 HydrophobicContact CG1-CD1 3.62Å; V250-I254 HydrophobicContact CG1-CG1 4.27Å; V250-I254 WeakPolarHBondContact O-CG1 3.47Å; V250-I254 PolarHBondContact O-N 3.36Å; E251-I254 PolarHBondContact O-N 3.47Å; I254-W261 HydrophobicContact CG1-CE3 4.07Å; I254-C266 HydrophobicContact CD1-CB 4.04Å; I254-C266 HydrophobicContact CG1-CB 4.27Å; I254-C266 HydrophobicContact CG2-CB 4.47Å
255N96.4Very high96.7Very high132 Ų13253.7 Ų53.771%0.70630%0.296SS*.Hα-helixtrans-92.2-8.6-174.6-65.4-52000114.2E251 S257E251-N255 WeakPolarHBondContact O-CB 3.39Å; E251-N255 PolarHBondContact O-N 2.99Å; E251-N255 PolarHBondContact O-ND2 3.31Å; N255-S257 PolarHBondContact O-N 3.06Å
256D96.1Very high96.7Very high57 Ų5750.3 Ų50.331%0.30528%0.283SS..  trans-82.3113.9177179.2-3.7000110.8Q252 S258 C259Q252-D256 WeakPolarHBondContact O-CB 3.43Å; Q252-D256 PolarHBondContact O-N 3.28Å; D256-S258 PolarHBondContact O-N 3.16Å; D256-S258 VanDerWaalsContact O-N 3.09Å; D256-S258 WeakPolarHBondContact OD1-CB 3.37Å; D256-S258 PolarHBondContact OD1-N 3Å; D256-S258 PolarHBondContact OD1-OG 3.49Å; D256-S258 PolarHBondContact OD2-OG 3.44Å; D256-C259 HydrophobicContact CB-CB 4.24Å; D256-C259 WeakPolarHBondContact O-CB 3.38Å; D256-C259 PolarHBondContact O-N 2.92Å; D256-C259 PolarHBondContact OD2-SG 2.81Å; D256-C259 VanDerWaalsContact OD2-SG 3.39Å
257S93Very high96.6Very high128 Ų12855 Ų5590%0.89531%0.312SS*.THydrogen-bonded Turntrans-60.8-17.1178.358.80000114.9N255N255-S257 PolarHBondContact O-N 3.06Å
258S93.4Very high96.5Very high62 Ų6254.6 Ų54.643%0.43431%0.31SS..THydrogen-bonded Turntrans-84.9-10.817477.20000113.1D256 H369D256-S258 PolarHBondContact O-N 3.16Å; D256-S258 VanDerWaalsContact O-N 3.09Å; D256-S258 WeakPolarHBondContact OD1-CB 3.37Å; D256-S258 PolarHBondContact OD1-N 3Å; D256-S258 PolarHBondContact OD1-OG 3.49Å; D256-S258 PolarHBondContact OD2-OG 3.44Å; S258-H369 PolarHBondContact O-CE1 3.38Å
259C96.5Very high96.4Very high15 Ų1551.3 Ų51.310%0.10129%0.29CS..SBendtrans-94.8145.8175.6-67.80000110.3R253 D256R253-C259 VanDerWaalsContact O-CB 3.27Å; R253-C259 WeakPolarHBondContact O-CB 3.46Å; D256-C259 HydrophobicContact CB-CB 4.24Å; D256-C259 WeakPolarHBondContact O-CB 3.38Å; D256-C259 PolarHBondContact O-N 2.92Å; D256-C259 PolarHBondContact OD2-SG 2.81Å; D256-C259 VanDerWaalsContact OD2-SG 3.39Å
260V96.1Very high96.3Very high32 Ų3253.4 Ų53.419%0.19431%0.306CS..  trans-116.898.1176.6-177.60000107.5H369 L370 L371V260-H369 HydrophobicContact CB-CB 4.31Å; V260-H369 WeakPolarHBondContact CB-ND1 3.35Å; V260-H369 PolarHBondContact N-ND1 3.23Å; V260-H369 CarbonylContact O-C 3.57Å; V260-H369 WeakPolarHBondContact O-CA 3.49Å; V260-H369 WeakPolarHBondContact O-CB 3.27Å; V260-L370 PolarHBondContact O-N 3.43Å; V260-L371 HydrophobicContact CB-CD2 4.27Å; V260-L371 HydrophobicContact CG1-CD2 4.01Å; V260-L371 WeakPolarHBondContact O-CD2 3.24Å
261W97.8Very high96.1Very high24 Ų2455 Ų559%0.09132%0.317CS..BIsolated β-bridgetrans-111.4125.3168.6-78.145.7000108.1V250 R253 I254 C266 A350 V367 K368 L370V250-W261 HydrophobicContact CG1-CZ3 4.22Å; V250-W261 HydrophobicContact CG2-CH2 4.41Å; R253-W261 HydrophobicContact CB-CD2 4.39Å; R253-W261 HydrophobicContact CB-CH2 4.47Å; R253-W261 HydrophobicContact CB-CZ2 3.7Å; R253-W261 HydrophobicContact CG-CZ2 4.02Å; I254-W261 HydrophobicContact CG1-CE3 4.07Å; W261-C266 WeakPolarHBondContact CB-SG 3.5Å; W261-A350 HydrophobicContact CH2-CB 4.08Å; W261-A350 HydrophobicContact CZ3-CB 4.02Å; W261-V367 HydrophobicContact CZ2-CG1 4.02Å; W261-K368 PolarHBondContact NE1-O 2.97Å; W261-L370 WeakPolarHBondContact CA-O 3.37Å; W261-L370 HydrophobicContact CD2-CB 3.65Å; W261-L370 HydrophobicContact CD2-CD2 4.34Å; W261-L370 HydrophobicContact CE3-CB 4.11Å; W261-L370 HydrophobicContact CE3-CD2 3.95Å; W261-L370 HydrophobicContact CG-CB 3.95Å; W261-L370 HydrophobicContact CH2-CD2 3.93Å; W261-L370 HydrophobicContact CZ2-CB 4.09Å; W261-L370 HydrophobicContact CZ2-CD2 4.31Å; W261-L370 HydrophobicContact CZ3-CD2 3.73Å
262T97.2Very high95.9Very high31 Ų3154.1 Ų54.119%0.1931%0.309CS..  trans-65.6149.8179.551.70000110.3N264 A265 C266 L370 S372T262-N264 WeakPolarHBondContact CB-OD1 3.33Å; T262-N264 PolarHBondContact O-N 2.68Å; T262-N264 VanDerWaalsContact O-N 3.16Å; T262-N264 PolarHBondContact OG1-OD1 2.95Å; T262-A265 WeakPolarHBondContact O-CA 3.46Å; T262-A265 WeakPolarHBondContact O-CB 3.41Å; T262-A265 PolarHBondContact O-N 3.48Å; T262-A265 WeakPolarHBondContact OG1-CB 3.49Å; T262-C266 PolarHBondContact O-N 3.17Å; T262-C266 PolarHBondContact O-SG 3.44Å; T262-L370 PolarHBondContact N-O 2.95Å; T262-L370 VanDerWaalsContact N-O 3.16Å; T262-S372 WeakPolarHBondContact OG1-CB 3.49Å; T262-S372 PolarHBondContact OG1-N 3.34Å; T262-S372 PolarHBondContact OG1-O 3.43Å
263S95.7Very high95.8Very high82 Ų8249.1 Ų49.157%0.57329%0.286SS*.Hα-helixtrans-55-39.1-174.757.30000113.2T267S263-T267 WeakPolarHBondContact O-CB 3.45Å; S263-T267 PolarHBondContact O-N 2.89Å; S263-T267 PolarHBondContact O-OG1 2.78Å
264N94.8Very high95.7Very high14 Ų1454.5 Ų54.58%0.07531%0.307CS..Hα-helixtrans-66-40.2174.460.1-4000112.5T262 T267 I268 S372 E374T262-N264 WeakPolarHBondContact CB-OD1 3.33Å; T262-N264 PolarHBondContact O-N 2.68Å; T262-N264 VanDerWaalsContact O-N 3.16Å; T262-N264 PolarHBondContact OG1-OD1 2.95Å; N264-T267 PolarHBondContact O-N 3.46Å; N264-I268 WeakPolarHBondContact O-CB 3.24Å; N264-I268 WeakPolarHBondContact O-CD1 3.49Å; N264-I268 VanDerWaalsContact O-CG1 3.23Å; N264-I268 WeakPolarHBondContact O-CG1 3.43Å; N264-I268 PolarHBondContact O-N 3.33Å; N264-S372 PolarHBondContact ND2-O 3.26Å; N264-S372 PolarHBondContact ND2-OG 2.61Å; N264-S372 WeakPolarHBondContact OD1-CB 3.43Å; N264-S372 PolarHBondContact OD1-O 2.9Å; N264-S372 VanDerWaalsContact OD1-O 3.08Å; N264-E374 WeakPolarHBondContact CB-OE1 3.39Å; N264-E374 PolarHBondContact ND2-OE1 3.25Å
265A97Very high95.4Very high0 Ų057.3 Ų57.30%032%0.322CS..Hα-helixtrans-63.8-45.5176.800000110.9T262 S269 V346 L370T262-A265 WeakPolarHBondContact O-CA 3.46Å; T262-A265 WeakPolarHBondContact O-CB 3.41Å; T262-A265 PolarHBondContact O-N 3.48Å; T262-A265 WeakPolarHBondContact OG1-CB 3.49Å; A265-S269 VanDerWaalsContact O-CB 3.26Å; A265-S269 WeakPolarHBondContact O-CB 3.34Å; A265-S269 PolarHBondContact O-N 2.77Å; A265-S269 PolarHBondContact O-OG 3.33Å; A265-V346 HydrophobicContact CB-CG1 4.32Å; A265-V346 HydrophobicContact CB-CG2 4.18Å; A265-L370 HydrophobicContact CB-CD2 4.11Å; A265-L370 HydrophobicContact CB-CG 4.19Å
266C97.3Very high95.3Very high23 Ų2352.5 Ų52.516%0.15530%0.304CS..Hα-helixtrans-57.1-52.9173.1-60.80000110.9I254 W261 T262 I268 S269 S270I254-C266 HydrophobicContact CD1-CB 4.04Å; I254-C266 HydrophobicContact CG1-CB 4.27Å; I254-C266 HydrophobicContact CG2-CB 4.47Å; W261-C266 WeakPolarHBondContact CB-SG 3.5Å; T262-C266 PolarHBondContact O-N 3.17Å; T262-C266 PolarHBondContact O-SG 3.44Å; C266-I268 PolarHBondContact O-N 3.02Å; C266-S269 PolarHBondContact O-N 3.24Å; C266-S270 WeakPolarHBondContact O-CB 3.35Å; C266-S270 PolarHBondContact O-N 3.23Å; C266-S270 PolarHBondContact O-OG 2.85Å
267T96.8Very high95.3Very high99 Ų9950.4 Ų50.461%0.60729%0.293SS*.Hα-helixtrans-57.6-48.4-178-58.30000112.4S263 N264 S271S263-T267 WeakPolarHBondContact O-CB 3.45Å; S263-T267 PolarHBondContact O-N 2.89Å; S263-T267 PolarHBondContact O-OG1 2.78Å; N264-T267 PolarHBondContact O-N 3.46Å; T267-S271 WeakPolarHBondContact O-CB 3.46Å; T267-S271 PolarHBondContact O-N 3.41Å
268I95.1Very high95.3Very high42 Ų4250.7 Ų50.722%0.21528%0.278CS..Hα-helixtrans-64.6-46.2-179.4-68.9165.6000110.2N264 C266 S271 W272 K343 V346 P347N264-I268 WeakPolarHBondContact O-CB 3.24Å; N264-I268 WeakPolarHBondContact O-CD1 3.49Å; N264-I268 VanDerWaalsContact O-CG1 3.23Å; N264-I268 WeakPolarHBondContact O-CG1 3.43Å; N264-I268 PolarHBondContact O-N 3.33Å; C266-I268 PolarHBondContact O-N 3.02Å; I268-S271 PolarHBondContact O-N 3.35Å; I268-W272 VanDerWaalsContact O-CD1 3.28Å; I268-W272 PolarHBondContact O-N 3.3Å; I268-K343 HydrophobicContact CD1-CB 3.88Å; I268-V346 HydrophobicContact CB-CB 4.43Å; I268-V346 HydrophobicContact CB-CG1 3.91Å; I268-V346 HydrophobicContact CD1-CB 4.35Å; I268-V346 HydrophobicContact CD1-CG2 4.38Å; I268-V346 HydrophobicContact CG2-CB 4.03Å; I268-V346 HydrophobicContact CG2-CG1 3.7Å; I268-P347 HydrophobicContact CG2-CG 3.98Å
269S95.5Very high95.4Very high0 Ų050.6 Ų50.60%028%0.276CS..Hα-helixtrans-63.2-48.4-178.1-540000111.7A265 C266 S271 W272 L273 A350A265-S269 VanDerWaalsContact O-CB 3.26Å; A265-S269 WeakPolarHBondContact O-CB 3.34Å; A265-S269 PolarHBondContact O-N 2.77Å; A265-S269 PolarHBondContact O-OG 3.33Å; C266-S269 PolarHBondContact O-N 3.24Å; S269-S271 VanDerWaalsContact C-N 3.29Å; S269-S271 PolarHBondContact O-N 2.89Å; S269-W272 PolarHBondContact O-N 3.02Å; S269-L273 PolarHBondContact O-N 3.36Å; S269-L273 VanDerWaalsContact O-N 3.16Å; S269-A350 WeakPolarHBondContact OG-CB 3.46Å
270S96.3Very high95.2Very high56 Ų5654.5 Ų54.539%0.39229%0.288SS..Hα-helixtrans-63.4-34.5176.6-610000112.3C266 R274C266-S270 WeakPolarHBondContact O-CB 3.35Å; C266-S270 PolarHBondContact O-N 3.23Å; C266-S270 PolarHBondContact O-OG 2.85Å; S270-R274 VanDerWaalsContact O-CB 3.27Å; S270-R274 WeakPolarHBondContact O-CB 3.32Å; S270-R274 PolarHBondContact O-N 2.98Å
271S94.8Very high95.2Very high34 Ų3454.2 Ų54.224%0.23829%0.287CS..Hα-helixtrans-63.9-45.6174.8-167.60000111.9T267 I268 S269 L273 R274 D275T267-S271 WeakPolarHBondContact O-CB 3.46Å; T267-S271 PolarHBondContact O-N 3.41Å; I268-S271 PolarHBondContact O-N 3.35Å; S269-S271 VanDerWaalsContact C-N 3.29Å; S269-S271 PolarHBondContact O-N 2.89Å; S271-L273 VanDerWaalsContact C-N 3.31Å; S271-L273 PolarHBondContact O-N 3.1Å; S271-R274 PolarHBondContact O-N 3.48Å; S271-R274 PolarHBondContact OG-NH2 3.4Å; S271-D275 WeakPolarHBondContact O-CB 3.47Å; S271-D275 PolarHBondContact O-N 2.96Å
272W92.4Very high95.1Very high76 Ų7653.3 Ų53.329%0.28828%0.284SS..Hα-helixtrans-61-39.9179-89.467.8000112.6I268 S269 L277 P347 I351I268-W272 VanDerWaalsContact O-CD1 3.28Å; I268-W272 PolarHBondContact O-N 3.3Å; S269-W272 PolarHBondContact O-N 3.02Å; W272-L277 HydrophobicContact CE3-CD2 4.39Å; W272-L277 WeakPolarHBondContact O-CD2 3.45Å; W272-P347 HydrophobicContact CD2-CB 4.04Å; W272-P347 HydrophobicContact CD2-CG 4.41Å; W272-P347 HydrophobicContact CE3-CB 4.42Å; W272-P347 HydrophobicContact CH2-CB 3.99Å; W272-P347 HydrophobicContact CZ2-CB 3.58Å; W272-P347 HydrophobicContact CZ2-CG 3.74Å; W272-P347 HydrophobicContact CZ3-CB 4.39Å; W272-I351 HydrophobicContact CB-CD1 4.26Å; W272-I351 HydrophobicContact CB-CG1 4.07Å; W272-I351 HydrophobicContact CG-CG1 4.47Å
273L94.7Very high95.1Very high13 Ų1351.8 Ų51.87%0.06828%0.275CS..Hα-helixtrans-71.5-44178-68.9165.3000111.7E243 L246 N247 V250 S269 S271 D275 G276 L277 I351E243-L273 HydrophobicContact CG-CD2 4.47Å; L246-L273 HydrophobicContact CD2-CD2 4.04Å; L246-L273 HydrophobicContact CG-CD2 4.29Å; N247-L273 HydrophobicContact CB-CD2 4.43Å; V250-L273 HydrophobicContact CB-CD1 3.8Å; V250-L273 HydrophobicContact CG1-CD1 3.82Å; V250-L273 HydrophobicContact CG2-CD1 3.99Å; S269-L273 PolarHBondContact O-N 3.36Å; S269-L273 VanDerWaalsContact O-N 3.16Å; S271-L273 VanDerWaalsContact C-N 3.31Å; S271-L273 PolarHBondContact O-N 3.1Å; L273-D275 VanDerWaalsContact C-N 3.3Å; L273-D275 PolarHBondContact O-N 2.75Å; L273-G276 PolarHBondContact O-N 3.23Å; L273-G276 VanDerWaalsContact O-N 3.17Å; L273-L277 HydrophobicContact CD2-CD1 4.14Å; L273-L277 HydrophobicContact CD2-CG 4.45Å; L273-I351 HydrophobicContact CD1-CD1 4.27Å; L273-I351 HydrophobicContact CD2-CD1 4.13Å; L273-I351 HydrophobicContact CG-CD1 3.91Å
274R95.3Very high94.9Very high174 Ų17450.7 Ų50.766%0.65726%0.258SS*.Hα-helixtrans-61.7-37.4178.3-175.8-165.263.5-114.6-13.1112.7S270 S271 G276S270-R274 VanDerWaalsContact O-CB 3.27Å; S270-R274 WeakPolarHBondContact O-CB 3.32Å; S270-R274 PolarHBondContact O-N 2.98Å; S271-R274 PolarHBondContact O-N 3.48Å; S271-R274 PolarHBondContact OG-NH2 3.4Å; R274-G276 PolarHBondContact O-N 2.72Å
275D92.1Very high94.7Very high110 Ų11051.6 Ų51.659%0.58826%0.264SS*.THydrogen-bonded Turntrans-75.3-7-178.2-61.2-13.1000112.8S271 L273S271-D275 WeakPolarHBondContact O-CB 3.47Å; S271-D275 PolarHBondContact O-N 2.96Å; L273-D275 VanDerWaalsContact C-N 3.3Å; L273-D275 PolarHBondContact O-N 2.75Å
276G93.9Very high94.3Very high31 Ų3152.5 Ų52.532%0.3227%0.268SS..  trans80.8129.6-177.900000112.5L273 R274L273-G276 PolarHBondContact O-N 3.23Å; L273-G276 VanDerWaalsContact O-N 3.17Å; R274-G276 PolarHBondContact O-N 2.72Å
277L94.7Very high93.8Very high12 Ų1259 Ų596%0.06330%0.296CS..  trans-75.8151.1178.9-54.7-178.2000110.2L239 P240 E243 L246 W272 L273 I351L239-L277 HydrophobicContact CB-CB 3.79Å; L239-L277 HydrophobicContact CB-CD1 4.13Å; P240-L277 WeakPolarHBondContact CG-O 3.33Å; E243-L277 HydrophobicContact CB-CD1 4.2Å; E243-L277 HydrophobicContact CG-CD1 3.91Å; E243-L277 HydrophobicContact CG-CG 4.02Å; E243-L277 VanDerWaalsContact OE2-CB 3.24Å; E243-L277 WeakPolarHBondContact OE2-CB 3.49Å; E243-L277 WeakPolarHBondContact OE2-CG 3.36Å; E243-L277 PolarHBondContact OE2-N 3.39Å; L246-L277 HydrophobicContact CD2-CD1 3.76Å; W272-L277 HydrophobicContact CE3-CD2 4.39Å; W272-L277 WeakPolarHBondContact O-CD2 3.45Å; L273-L277 HydrophobicContact CD2-CD1 4.14Å; L273-L277 HydrophobicContact CD2-CG 4.45Å; L277-I351 HydrophobicContact CD1-CG2 3.91Å; L277-I351 HydrophobicContact CD2-CG2 3.79Å
278K93.4Very high93.7Very high134 Ų13456.5 Ų56.558%0.58328%0.275SS*.  trans-124.1152.5177.6-60.1-177.8-176.9-1790109.1R280K278-R280 PolarHBondContact O-N 2.98Å
279P96.2Very high93.7Very high61 Ų6155 Ų5540%0.39627%0.27SS..  trans-52.8139.1171.6-25.735.5000111.2F236 L237 P240F236-P279 HydrophobicContact CB-CB 4.24Å; F236-P279 HydrophobicContact CD1-CB 4.39Å; L237-P279 VanDerWaalsContact O-CA 3.31Å; L237-P279 WeakPolarHBondContact O-CA 3.44Å; P240-P279 HydrophobicContact CG-CG 4.24Å
280R93Very high93.9Very high96 Ų9655 Ų5536%0.36227%0.27SS..EExtended strand (participates in β ladder)trans-119.1125.2-178.5-66-62.5-178.4-131.92.4110.2F236 L237 L239 K278 I282F236-R280 CarbonylContact C-O 3.52Å; F236-R280 VanDerWaalsContact CA-O 3.25Å; F236-R280 WeakPolarHBondContact CA-O 3.39Å; L237-R280 PolarHBondContact N-O 2.82Å; L237-R280 PolarHBondContact O-N 2.77Å; L239-R280 HydrophobicContact CD1-CB 4.45Å; L239-R280 HydrophobicContact CD1-CG 3.54Å; L239-R280 HydrophobicContact CG-CG 4.38Å; K278-R280 PolarHBondContact O-N 2.98Å; R280-I282 WeakPolarHBondContact O-CG2 3.28Å; R280-I282 PolarHBondContact O-N 3.07Å
281C94.7Very high93.9Very high26 Ų2655.1 Ų55.118%0.17627%0.27CS..EExtended strand (participates in β ladder)trans-65.8120176.8179.80000110.8L235 F236 T283 R284 Y303L235-C281 WeakPolarHBondContact O-CA 3.47Å; F236-C281 HydrophobicContact CD1-CB 3.81Å; F236-C281 HydrophobicContact CE1-CB 3.54Å; F236-C281 HydrophobicContact CG-CB 4.47Å; F236-C281 HydrophobicContact CZ-CB 3.97Å; C281-T283 PolarHBondContact SG-O 2.9Å; C281-R284 PolarHBondContact O-NH1 3.23Å; C281-R284 VanDerWaalsContact O-NH1 3.16Å; C281-R284 PolarHBondContact SG-NH1 3.03Å; C281-Y303 WeakPolarHBondContact O-CD1 3.3Å
282I96.5Very high94.1Very high5 Ų553.9 Ų53.93%0.02626%0.261CS..  trans-104.38.5-177.463.2165.9000113.4F155 I164 L235 L237 R280 F302 Y303 F306F155-I282 HydrophobicContact CD2-CD1 4.16Å; F155-I282 HydrophobicContact CE2-CD1 4.24Å; I164-I282 HydrophobicContact CD1-CD1 3.7Å; I164-I282 HydrophobicContact CG2-CD1 4.5Å; L235-I282 HydrophobicContact CB-CD1 4.29Å; L235-I282 HydrophobicContact CB-CG1 3.88Å; L235-I282 WeakPolarHBondContact O-CG1 3.46Å; L235-I282 PolarHBondContact O-N 3.26Å; L237-I282 HydrophobicContact CB-CG2 3.7Å; R280-I282 WeakPolarHBondContact O-CG2 3.28Å; R280-I282 PolarHBondContact O-N 3.07Å; I282-F302 HydrophobicContact CD1-CD1 4.47Å; I282-F302 HydrophobicContact CD1-CE1 4.3Å; I282-F302 CarbonylContact O-C 3.49Å; I282-F302 WeakPolarHBondContact O-CA 3.33Å; I282-Y303 PolarHBondContact O-N 3Å; I282-F306 HydrophobicContact CB-CB 3.94Å; I282-F306 HydrophobicContact CB-CD1 4.43Å; I282-F306 HydrophobicContact CB-CD2 4.28Å; I282-F306 HydrophobicContact CB-CG 3.95Å; I282-F306 HydrophobicContact CD1-CD2 4.49Å; I282-F306 HydrophobicContact CD1-CE2 4.42Å; I282-F306 HydrophobicContact CD1-CZ 4.47Å; I282-F306 HydrophobicContact CG2-CB 3.87Å; I282-F306 HydrophobicContact CG2-CD2 3.85Å; I282-F306 HydrophobicContact CG2-CG 3.94Å
283T96.5Very high94.3Very high0 Ų053.3 Ų53.30%027%0.267CS..EExtended strand (participates in β ladder)trans-125.7152.7179.347.90000111.8H234 L235 C281 V292 V301H234-T283 WeakPolarHBondContact CA-OG1 3.37Å; H234-T283 PolarHBondContact ND1-O 3.41Å; H234-T283 PolarHBondContact ND1-OG1 3.18Å; L235-T283 HydrophobicContact CB-CG2 3.77Å; L235-T283 HydrophobicContact CD1-CG2 3.91Å; L235-T283 HydrophobicContact CG-CG2 3.85Å; L235-T283 PolarHBondContact N-OG1 2.85Å; C281-T283 PolarHBondContact SG-O 2.9Å; T283-V292 HydrophobicContact CG2-CG2 3.72Å; T283-V301 CarbonylContact C-O 3.59Å; T283-V301 VanDerWaalsContact CA-O 3.31Å; T283-V301 WeakPolarHBondContact CA-O 3.25Å
284R91.2Very high94.4Very high58 Ų5854.8 Ų54.822%0.21928%0.275CS..EExtended strand (participates in β ladder)trans-139.5148.1177-68.3-62.7-179.2-83.95.3111.4C281 L286 V301 Y303C281-R284 PolarHBondContact O-NH1 3.23Å; C281-R284 VanDerWaalsContact O-NH1 3.16Å; C281-R284 PolarHBondContact SG-NH1 3.03Å; R284-L286 HydrophobicContact CB-CD1 3.86Å; R284-L286 HydrophobicContact CB-CG 3.93Å; R284-L286 HydrophobicContact CG-CD1 4.4Å; R284-L286 PolarHBondContact O-N 3.34Å; R284-V301 HydrophobicContact CB-CG2 4.45Å; R284-V301 PolarHBondContact N-O 2.84Å; R284-V301 PolarHBondContact O-N 3.45Å; R284-Y303 HydrophobicContact CG-CD2 3.47Å; R284-Y303 VanDerWaalsContact CG-CD2 3.47Å; R284-Y303 HydrophobicContact CG-CE2 4.26Å; R284-Y303 HydrophobicContact CG-CG 3.98Å; R284-Y303 VanDerWaalsContact CZ-CD2 3.41Å; R284-Y303 VanDerWaalsContact NE-CD2 3.35Å; R284-Y303 VanDerWaalsContact NH2-CD1 3.26Å
285D90.6Very high94.3Very high34 Ų3453.8 Ų53.818%0.18228%0.278CS..SBendtrans-79.970.4170.7-66.5-77.7000110.4Q171 F180 S232 H234 K300Q171-D285 PolarHBondContact OE1-OD2 2.97Å; F180-D285 HydrophobicContact CB-CB 3.75Å; F180-D285 HydrophobicContact CD2-CB 3.7Å; F180-D285 VanDerWaalsContact CD2-CG 3.45Å; F180-D285 WeakPolarHBondContact CD2-OD1 3.28Å; F180-D285 HydrophobicContact CG-CB 4.04Å; S232-D285 PolarHBondContact OG-OD1 3.02Å; S232-D285 PolarHBondContact OG-OD2 3.25Å; H234-D285 IonicContact CE1-OD2 3.07Å; H234-D285 PolarHBondContact CE1-OD2 3.47Å; H234-D285 IonicContact NE2-OD2 3.44Å; H234-D285 PolarHBondContact NE2-OD2 2.95Å; H234-D285 VanDerWaalsContact NE2-OD2 3.15Å; D285-K300 IonicContact OD1-NZ 3.73Å; D285-K300 PolarHBondContact OD1-NZ 3.45Å; D285-K300 IonicContact OD2-NZ 3.43Å; D285-K300 PolarHBondContact OD2-NZ 3.24Å
286L88.3Confident94.3Very high19 Ų1951.5 Ų51.510%0.09927%0.274CS..  trans-132.3160.8178.3-58.8170000109.7T101 R284 V301T101-L286 HydrophobicContact CG2-CD2 4.15Å; T101-L286 VanDerWaalsContact OG1-CD1 3.32Å; T101-L286 WeakPolarHBondContact OG1-CD1 3.4Å; T101-L286 WeakPolarHBondContact OG1-CD2 3.48Å; R284-L286 HydrophobicContact CB-CD1 3.86Å; R284-L286 HydrophobicContact CB-CG 3.93Å; R284-L286 HydrophobicContact CG-CD1 4.4Å; R284-L286 PolarHBondContact O-N 3.34Å; L286-V301 HydrophobicContact CB-CG2 3.71Å; L286-V301 WeakPolarHBondContact O-CG1 3.43Å
287H87.7Confident94.4Very high159 Ų15950.2 Ų50.274%0.73626%0.26SS*.SBendtrans-96.5-28.6173.8-58.284.6000111.2E104 G289E104-H287 PolarHBondContact OE1-N 3.17Å; H287-G289 PolarHBondContact O-N 3.49Å
288W94.4Very high94.3Very high46 Ų4656 Ų5617%0.17428%0.284CS..SBendtrans-9689.7-179.3-168.6-110.8000112.7E98 Y99 G100 E104 P114 R115 T143E98-W288 PolarHBondContact O-NE1 3.39Å; Y99-W288 AromaticContact CD1-CD1 3.79Å; Y99-W288 HydrophobicContact CD1-CD2 4.16Å; Y99-W288 AromaticContact CD1-CE2 3.91Å; Y99-W288 HydrophobicContact CD1-CG 4.12Å; Y99-W288 AromaticContact CD1-NE1 3.63Å; Y99-W288 HydrophobicContact CE1-CD2 4.26Å; Y99-W288 HydrophobicContact CE1-CZ2 4.35Å; G100-W288 PolarHBondContact N-O 3.13Å; E104-W288 HydrophobicContact CG-CB 3.66Å; E104-W288 WeakPolarHBondContact OE1-CB 3.2Å; E104-W288 PolarHBondContact OE1-N 2.76Å; P114-W288 HydrophobicContact CB-CB 4.24Å; P114-W288 HydrophobicContact CB-CD2 3.31Å; P114-W288 HydrophobicContact CB-CE3 3.63Å; P114-W288 HydrophobicContact CB-CG 3.59Å; P114-W288 HydrophobicContact CB-CH2 4.34Å; P114-W288 HydrophobicContact CB-CZ2 4.07Å; P114-W288 HydrophobicContact CB-CZ3 4.14Å; P114-W288 HydrophobicContact CG-CB 4.35Å; P114-W288 HydrophobicContact CG-CD2 4.21Å; P114-W288 HydrophobicContact CG-CE3 4.34Å; P114-W288 HydrophobicContact CG-CG 4.22Å; R115-W288 HydrophobicContact CB-CH2 3.75Å; R115-W288 HydrophobicContact CB-CZ3 4.28Å; T143-W288 HydrophobicContact CG2-CH2 4.2Å; T143-W288 HydrophobicContact CG2-CZ2 3.55Å
289G96.4Very high94.1Very high11 Ų1155.8 Ų55.811%0.11329%0.289CS..SBendtrans-178.3177.5178.300000111.5H287 V301H287-G289 PolarHBondContact O-N 3.49Å; G289-V301 WeakPolarHBondContact O-CG1 3.14Å
290V98Very high94.1Very high0 Ų053.7 Ų53.70%027%0.274CS..PPolyproline II helixtrans-70.8125.2174.3179.10000109.7Y99 H147 T148 V151 V301 F302 D307Y99-V290 HydrophobicContact CD2-CG2 4.16Å; Y99-V290 HydrophobicContact CE2-CG2 3.63Å; H147-V290 VanDerWaalsContact CD2-CG2 3.44Å; H147-V290 WeakPolarHBondContact CD2-CG2 3.46Å; T148-V290 HydrophobicContact CG2-CG1 4.03Å; V151-V290 HydrophobicContact CB-CG1 4.1Å; V151-V290 HydrophobicContact CG1-CB 4.35Å; V151-V290 HydrophobicContact CG1-CG1 3.89Å; V290-V301 CarbonylContact O-C 3.51Å; V290-V301 WeakPolarHBondContact O-CA 3.44Å; V290-V301 WeakPolarHBondContact O-CB 3.4Å; V290-F302 HydrophobicContact CB-CB 4.49Å; V290-F302 HydrophobicContact CB-CD2 4Å; V290-F302 HydrophobicContact CG1-CD2 3.8Å; V290-F302 HydrophobicContact CG1-CE2 4.33Å; V290-F302 PolarHBondContact O-N 3.12Å; V290-D307 VanDerWaalsContact CG2-OD2 3.23Å; V290-D307 WeakPolarHBondContact CG2-OD2 2.97Å
291P97.9Very high94.3Very high59 Ų5949.6 Ų49.638%0.38326%0.259SS..BIsolated β-bridgetrans-67.3143.4-178.627.1-34000112.1T148 Q152T148-P291 HydrophobicContact CG2-CG 4.24Å; Q152-P291 PolarHBondContact NE2-O 2.9Å
292V98Very high94.4Very high8 Ų848.5 Ų48.55%0.04825%0.252CS..PPolyproline II helixtrans-79.9125.8176.2-176.40000109.4F155 L235 T283 L294 Y297 K300 F302F155-V292 HydrophobicContact CZ-CG1 4.49Å; L235-V292 HydrophobicContact CD1-CG1 3.82Å; T283-V292 HydrophobicContact CG2-CG2 3.72Å; V292-L294 HydrophobicContact CG1-CB 4.24Å; V292-L294 HydrophobicContact CG1-CD1 4.45Å; V292-L294 HydrophobicContact CG1-CG 4.3Å; V292-L294 PolarHBondContact O-N 3.27Å; V292-Y297 HydrophobicContact CG1-CG 4.26Å; V292-K300 HydrophobicContact CG2-CB 4.46Å; V292-K300 PolarHBondContact N-O 3.31Å; V292-F302 HydrophobicContact CB-CZ 4.36Å; V292-F302 HydrophobicContact CG1-CE1 4.39Å; V292-F302 HydrophobicContact CG1-CZ 4.15Å; V292-F302 HydrophobicContact CG2-CD1 4.24Å; V292-F302 HydrophobicContact CG2-CD2 4.46Å; V292-F302 HydrophobicContact CG2-CE1 4.11Å; V292-F302 HydrophobicContact CG2-CE2 4.36Å; V292-F302 HydrophobicContact CG2-CG 4.4Å; V292-F302 HydrophobicContact CG2-CZ 4.17Å
293P96.9Very high94.3Very high64 Ų6451.5 Ų51.542%0.41626%0.263SS..SBendtrans-83.344.1-173.836-36.9000112.4Q152 F155Q152-P293 HydrophobicContact CB-CG 4.18Å; Q152-P293 HydrophobicContact CG-CB 4.28Å; Q152-P293 HydrophobicContact CG-CG 3.9Å; F155-P293 HydrophobicContact CD1-CG 3.76Å; F155-P293 HydrophobicContact CE1-CG 3.96Å
294L96.2Very high94Very high44 Ų4452.6 Ų52.623%0.2327%0.27CS..SBendtrans-130.7131.9177.6-64.8-179.8000109.6F155 W159 L235 V292 A296 Y297 K298F155-L294 HydrophobicContact CE1-CD1 4.21Å; F155-L294 HydrophobicContact CE1-CG 4.15Å; F155-L294 HydrophobicContact CZ-CD1 3.82Å; F155-L294 HydrophobicContact CZ-CG 4.26Å; W159-L294 HydrophobicContact CD2-CD1 4.39Å; W159-L294 HydrophobicContact CE3-CD1 4.03Å; W159-L294 HydrophobicContact CH2-CD1 3.76Å; W159-L294 HydrophobicContact CZ2-CD1 4.12Å; W159-L294 HydrophobicContact CZ3-CD1 3.71Å; L235-L294 HydrophobicContact CD1-CD1 4.04Å; V292-L294 HydrophobicContact CG1-CB 4.24Å; V292-L294 HydrophobicContact CG1-CD1 4.45Å; V292-L294 HydrophobicContact CG1-CG 4.3Å; V292-L294 PolarHBondContact O-N 3.27Å; L294-A296 VanDerWaalsContact C-N 3.27Å; L294-A296 PolarHBondContact O-N 3.28Å; L294-Y297 HydrophobicContact CB-CD2 3.86Å; L294-Y297 HydrophobicContact CD1-CD2 4.02Å; L294-Y297 HydrophobicContact CD1-CE2 4.34Å; L294-Y297 CarbonylContact O-C 3.37Å; L294-Y297 WeakPolarHBondContact O-CA 3.48Å; L294-Y297 PolarHBondContact O-N 3.3Å; L294-K298 PolarHBondContact O-N 2.92Å
295E93.6Very high93.6Very high153 Ų15354.6 Ų54.672%0.71528%0.278SS*.G310 helixtrans-55.6-40.4-175.6-175.458.5-148.300112.8Y297 K298E295-Y297 PolarHBondContact O-N 3.47Å; E295-Y297 VanDerWaalsContact O-N 3.11Å; E295-K298 PolarHBondContact O-N 3.36Å
296A93.2Very high93.8Very high62 Ų6253.1 Ų53.151%0.51227%0.27SS..G310 helixtrans-67.3-9.4178.100000114.2L294L294-A296 VanDerWaalsContact C-N 3.27Å; L294-A296 PolarHBondContact O-N 3.28Å
297Y95Very high94.2Very high4 Ų452.3 Ų52.32%0.01627%0.265CS..G310 helixtrans-125.118-174.2-64.5-94.7000112.5E166 R233 L235 V292 L294 E295 D299 K300E166-Y297 PolarHBondContact OE2-OH 3.11Å; R233-Y297 HydrophobicContact CB-CE1 4.25Å; L235-Y297 HydrophobicContact CD1-CD1 4.44Å; L235-Y297 HydrophobicContact CD2-CD1 4.44Å; L235-Y297 HydrophobicContact CD2-CD2 4.43Å; L235-Y297 HydrophobicContact CD2-CE1 3.76Å; L235-Y297 HydrophobicContact CD2-CE2 3.71Å; L235-Y297 WeakPolarHBondContact CD2-OH 3.06Å; L235-Y297 HydrophobicContact CG-CD1 4.04Å; L235-Y297 HydrophobicContact CG-CE1 3.7Å; L235-Y297 HydrophobicContact CG-CE2 4.29Å; V292-Y297 HydrophobicContact CG1-CG 4.26Å; L294-Y297 HydrophobicContact CB-CD2 3.86Å; L294-Y297 HydrophobicContact CD1-CD2 4.02Å; L294-Y297 HydrophobicContact CD1-CE2 4.34Å; L294-Y297 CarbonylContact O-C 3.37Å; L294-Y297 WeakPolarHBondContact O-CA 3.48Å; L294-Y297 PolarHBondContact O-N 3.3Å; E295-Y297 PolarHBondContact O-N 3.47Å; E295-Y297 VanDerWaalsContact O-N 3.11Å; Y297-D299 PolarHBondContact O-N 3Å; Y297-D299 VanDerWaalsContact O-N 3.14Å; Y297-K300 HydrophobicContact CD1-CD 3.56Å; Y297-K300 HydrophobicContact CE1-CD 4.29Å; Y297-K300 HydrophobicContact CG-CD 4.41Å; Y297-K300 WeakPolarHBondContact O-CB 3.47Å; Y297-K300 PolarHBondContact O-N 2.86Å
298K92.3Very high94.6Very high132 Ų13245.5 Ų45.557%0.57424%0.237SC*.THydrogen-bonded Turntrans-57.1-29.5-175.369.3-176.6-178.9-176.10115.4L294 E295 K300L294-K298 PolarHBondContact O-N 2.92Å; E295-K298 PolarHBondContact O-N 3.36Å; K298-K300 VanDerWaalsContact C-N 3.31Å
299D90.5Very high94.7Very high130 Ų13043.6 Ų43.670%0.69523%0.23SC*.THydrogen-bonded Turntrans-9618.7179.7-57.4-53.1000112.1Y297Y297-D299 PolarHBondContact O-N 3Å; Y297-D299 VanDerWaalsContact O-N 3.14Å
300K94.6Very high94.8Very high18 Ų1843.1 Ų43.18%0.07823%0.225CC..  trans-126.8154.9-178.8-67.8167.3-177.5-74.50110.9S232 R233 D285 V292 Y297 K298S232-K300 PolarHBondContact OG-NZ 3.05Å; R233-K300 WeakPolarHBondContact O-CE 3.2Å; R233-K300 PolarHBondContact O-NZ 3.28Å; D285-K300 IonicContact OD1-NZ 3.73Å; D285-K300 PolarHBondContact OD1-NZ 3.45Å; D285-K300 IonicContact OD2-NZ 3.43Å; D285-K300 PolarHBondContact OD2-NZ 3.24Å; V292-K300 HydrophobicContact CG2-CB 4.46Å; V292-K300 PolarHBondContact N-O 3.31Å; Y297-K300 HydrophobicContact CD1-CD 3.56Å; Y297-K300 HydrophobicContact CE1-CD 4.29Å; Y297-K300 HydrophobicContact CG-CD 4.41Å; Y297-K300 WeakPolarHBondContact O-CB 3.47Å; Y297-K300 PolarHBondContact O-N 2.86Å; K298-K300 VanDerWaalsContact C-N 3.31Å
301V97Very high94.9Very high9 Ų943.1 Ų43.16%0.05523%0.225CC..EExtended strand (participates in β ladder)trans-120.4161.3175.5-61.40000110.6T283 R284 L286 G289 V290T283-V301 CarbonylContact C-O 3.59Å; T283-V301 VanDerWaalsContact CA-O 3.31Å; T283-V301 WeakPolarHBondContact CA-O 3.25Å; R284-V301 HydrophobicContact CB-CG2 4.45Å; R284-V301 PolarHBondContact N-O 2.84Å; R284-V301 PolarHBondContact O-N 3.45Å; L286-V301 HydrophobicContact CB-CG2 3.71Å; L286-V301 WeakPolarHBondContact O-CG1 3.43Å; G289-V301 WeakPolarHBondContact O-CG1 3.14Å; V290-V301 CarbonylContact O-C 3.51Å; V290-V301 WeakPolarHBondContact O-CA 3.44Å; V290-V301 WeakPolarHBondContact O-CB 3.4Å
302F97.8Very high94.9Very high4 Ų440.6 Ų40.62%0.01821%0.208CC..EExtended strand (participates in β ladder)trans-63.7145.2168.4-71.5-64.6000111V151 Q152 F155 I282 V290 V292 F306 D307V151-F302 HydrophobicContact CG1-CD2 3.63Å; V151-F302 HydrophobicContact CG1-CE2 3.97Å; V151-F302 HydrophobicContact CG1-CG 4.23Å; Q152-F302 HydrophobicContact CG-CE2 4.39Å; F155-F302 HydrophobicContact CB-CE1 4.23Å; F155-F302 HydrophobicContact CB-CE2 4.44Å; F155-F302 HydrophobicContact CB-CZ 3.72Å; F155-F302 AromaticContact CD1-CZ 3.82Å; F155-F302 HydrophobicContact CD1-CZ 3.82Å; F155-F302 AromaticContact CD2-CE1 3.46Å; F155-F302 HydrophobicContact CD2-CE1 3.46Å; F155-F302 VanDerWaalsContact CD2-CE1 3.46Å; F155-F302 AromaticContact CD2-CZ 3.59Å; F155-F302 HydrophobicContact CD2-CZ 3.59Å; F155-F302 HydrophobicContact CE1-CZ 4.34Å; F155-F302 AromaticContact CE2-CE1 3.9Å; F155-F302 HydrophobicContact CE2-CE1 3.9Å; F155-F302 HydrophobicContact CE2-CZ 4.13Å; F155-F302 AromaticContact CG-CE1 3.8Å; F155-F302 HydrophobicContact CG-CE1 3.8Å; F155-F302 HydrophobicContact CG-CE2 4.46Å; F155-F302 AromaticContact CG-CZ 3.39Å; F155-F302 HydrophobicContact CG-CZ 3.39Å; F155-F302 HydrophobicContact CZ-CZ 4.48Å; I282-F302 HydrophobicContact CD1-CD1 4.47Å; I282-F302 HydrophobicContact CD1-CE1 4.3Å; I282-F302 CarbonylContact O-C 3.49Å; I282-F302 WeakPolarHBondContact O-CA 3.33Å; V290-F302 HydrophobicContact CB-CB 4.49Å; V290-F302 HydrophobicContact CB-CD2 4Å; V290-F302 HydrophobicContact CG1-CD2 3.8Å; V290-F302 HydrophobicContact CG1-CE2 4.33Å; V290-F302 PolarHBondContact O-N 3.12Å; V292-F302 HydrophobicContact CB-CZ 4.36Å; V292-F302 HydrophobicContact CG1-CE1 4.39Å; V292-F302 HydrophobicContact CG1-CZ 4.15Å; V292-F302 HydrophobicContact CG2-CD1 4.24Å; V292-F302 HydrophobicContact CG2-CD2 4.46Å; V292-F302 HydrophobicContact CG2-CE1 4.11Å; V292-F302 HydrophobicContact CG2-CE2 4.36Å; V292-F302 HydrophobicContact CG2-CG 4.4Å; V292-F302 HydrophobicContact CG2-CZ 4.17Å; F302-F306 HydrophobicContact CB-CD1 4.06Å; F302-F306 AromaticContact CD1-CD1 3.68Å; F302-F306 HydrophobicContact CD1-CD1 3.68Å; F302-F306 AromaticContact CD1-CE1 3.7Å; F302-F306 HydrophobicContact CD1-CE1 3.7Å; F302-F306 HydrophobicContact CE1-CD1 4.39Å; F302-F306 AromaticContact CE1-CE1 3.97Å; F302-F306 HydrophobicContact CE1-CE1 3.97Å; F302-F306 AromaticContact CG-CD1 3.95Å; F302-F306 HydrophobicContact CG-CD1 3.95Å; F302-F306 HydrophobicContact CG-CE1 4.06Å; F302-D307 HydrophobicContact CB-CB 4.48Å
303Y94.4Very high94.9Very high67 Ų6740.2 Ų40.226%0.26321%0.206SC..  trans-73.5134.2174.2-176.3-143.5000109.7C281 I282 R284 W305 F306 D307C281-Y303 WeakPolarHBondContact O-CD1 3.3Å; I282-Y303 PolarHBondContact O-N 3Å; R284-Y303 HydrophobicContact CG-CD2 3.47Å; R284-Y303 VanDerWaalsContact CG-CD2 3.47Å; R284-Y303 HydrophobicContact CG-CE2 4.26Å; R284-Y303 HydrophobicContact CG-CG 3.98Å; R284-Y303 VanDerWaalsContact CZ-CD2 3.41Å; R284-Y303 VanDerWaalsContact NE-CD2 3.35Å; R284-Y303 VanDerWaalsContact NH2-CD1 3.26Å; Y303-W305 HydrophobicContact CD1-CB 3.84Å; Y303-W305 AromaticContact CD1-CD1 3.97Å; Y303-W305 HydrophobicContact CD1-CG 4.25Å; Y303-W305 HydrophobicContact CE1-CB 3.69Å; Y303-W305 AromaticContact CE1-CD1 3.2Å; Y303-W305 AromaticContact CE1-CG 3.65Å; Y303-W305 HydrophobicContact CE1-CG 3.65Å; Y303-W305 AromaticContact CE2-CD1 3.55Å; Y303-W305 AromaticContact CZ-CD1 2.98Å; Y303-W305 AromaticContact CZ-CG 3.9Å; Y303-W305 AromaticContact CZ-NE1 3.52Å; Y303-W305 PolarHBondContact O-N 2.83Å; Y303-W305 PolarHBondContact OH-NE1 3.44Å; Y303-F306 WeakPolarHBondContact O-CB 3.33Å; Y303-F306 PolarHBondContact O-N 3.3Å; Y303-D307 PolarHBondContact O-N 2.97Å
304V90.9Very high95Very high24 Ų2437.2 Ų37.215%0.14519%0.186CC..Hα-helixtrans-51.9-33.2-176.370.10000114.2D97 F306 D307 A308D97-V304 WeakPolarHBondContact OD1-CG2 3.23Å; D97-V304 WeakPolarHBondContact OD2-CG2 3.32Å; V304-F306 PolarHBondContact O-N 3.23Å; V304-D307 WeakPolarHBondContact CA-OD1 3.46Å; V304-D307 PolarHBondContact O-N 3.12Å; V304-A308 HydrophobicContact CG2-CB 4.02Å; V304-A308 WeakPolarHBondContact O-CB 3.41Å; V304-A308 PolarHBondContact O-N 3.16Å
305W82.8Confident95.2Very high100 Ų10035.1 Ų35.138%0.37918%0.175SC..Hα-helixtrans-72.9-13179.5-66.280.8000114.2Y303 F348Y303-W305 HydrophobicContact CD1-CB 3.84Å; Y303-W305 AromaticContact CD1-CD1 3.97Å; Y303-W305 HydrophobicContact CD1-CG 4.25Å; Y303-W305 HydrophobicContact CE1-CB 3.69Å; Y303-W305 AromaticContact CE1-CD1 3.2Å; Y303-W305 AromaticContact CE1-CG 3.65Å; Y303-W305 HydrophobicContact CE1-CG 3.65Å; Y303-W305 AromaticContact CE2-CD1 3.55Å; Y303-W305 AromaticContact CZ-CD1 2.98Å; Y303-W305 AromaticContact CZ-CG 3.9Å; Y303-W305 AromaticContact CZ-NE1 3.52Å; Y303-W305 PolarHBondContact O-N 2.83Å; Y303-W305 PolarHBondContact OH-NE1 3.44Å; W305-F348 HydrophobicContact CB-CD1 4.15Å; W305-F348 HydrophobicContact CB-CE1 3.86Å; W305-F348 AromaticContact CD2-CD1 3.99Å; W305-F348 HydrophobicContact CD2-CD1 3.99Å; W305-F348 AromaticContact CD2-CE1 3.38Å; W305-F348 HydrophobicContact CD2-CE1 3.38Å; W305-F348 HydrophobicContact CD2-CE2 4.23Å; W305-F348 AromaticContact CD2-CZ 3.53Å; W305-F348 HydrophobicContact CD2-CZ 3.53Å; W305-F348 AromaticContact CE3-CD1 3.2Å; W305-F348 HydrophobicContact CE3-CD1 3.2Å; W305-F348 AromaticContact CE3-CD2 3.48Å; W305-F348 HydrophobicContact CE3-CD2 3.48Å; W305-F348 VanDerWaalsContact CE3-CD2 3.48Å; W305-F348 AromaticContact CE3-CE1 2.92Å; W305-F348 HydrophobicContact CE3-CE1 2.92Å; W305-F348 AromaticContact CE3-CE2 3.26Å; W305-F348 HydrophobicContact CE3-CE2 3.26Å; W305-F348 AromaticContact CE3-CG 3.47Å; W305-F348 HydrophobicContact CE3-CG 3.47Å; W305-F348 VanDerWaalsContact CE3-CG 3.47Å; W305-F348 AromaticContact CE3-CZ 2.95Å; W305-F348 HydrophobicContact CE3-CZ 2.95Å; W305-F348 HydrophobicContact CG-CD1 4.46Å; W305-F348 AromaticContact CG-CE1 3.91Å; W305-F348 HydrophobicContact CG-CE1 3.91Å; W305-F348 HydrophobicContact CG-CZ 4.44Å; W305-F348 HydrophobicContact CH2-CD2 4.18Å; W305-F348 HydrophobicContact CH2-CE1 4.35Å; W305-F348 AromaticContact CH2-CE2 3.43Å; W305-F348 HydrophobicContact CH2-CE2 3.43Å; W305-F348 VanDerWaalsContact CH2-CE2 3.43Å; W305-F348 AromaticContact CH2-CZ 3.51Å; W305-F348 HydrophobicContact CH2-CZ 3.51Å; W305-F348 HydrophobicContact CZ2-CE2 4.43Å; W305-F348 HydrophobicContact CZ2-CZ 4.1Å; W305-F348 AromaticContact CZ3-CD1 3.87Å; W305-F348 HydrophobicContact CZ3-CD1 3.87Å; W305-F348 AromaticContact CZ3-CD2 3.17Å; W305-F348 HydrophobicContact CZ3-CD2 3.17Å; W305-F348 AromaticContact CZ3-CE1 3.53Å; W305-F348 HydrophobicContact CZ3-CE1 3.53Å; W305-F348 AromaticContact CZ3-CE2 2.8Å; W305-F348 HydrophobicContact CZ3-CE2 2.8Å; W305-F348 AromaticContact CZ3-CG 3.71Å; W305-F348 HydrophobicContact CZ3-CG 3.71Å; W305-F348 AromaticContact CZ3-CZ 2.99Å; W305-F348 HydrophobicContact CZ3-CZ 2.99Å
306F93.1Very high95.4Very high3 Ų327.8 Ų27.81%0.01314%0.141CC..Hα-helixtrans-88.1-46.4171.5167.7-106.2000111.5V151 F155 L158 I282 F302 Y303 V304 I310V151-F306 HydrophobicContact CG1-CE1 4.07Å; F155-F306 HydrophobicContact CB-CE1 4.46Å; F155-F306 HydrophobicContact CB-CZ 4.29Å; L158-F306 HydrophobicContact CD1-CE2 3.89Å; L158-F306 HydrophobicContact CD1-CZ 4.21Å; I282-F306 HydrophobicContact CB-CB 3.94Å; I282-F306 HydrophobicContact CB-CD1 4.43Å; I282-F306 HydrophobicContact CB-CD2 4.28Å; I282-F306 HydrophobicContact CB-CG 3.95Å; I282-F306 HydrophobicContact CD1-CD2 4.49Å; I282-F306 HydrophobicContact CD1-CE2 4.42Å; I282-F306 HydrophobicContact CD1-CZ 4.47Å; I282-F306 HydrophobicContact CG2-CB 3.87Å; I282-F306 HydrophobicContact CG2-CD2 3.85Å; I282-F306 HydrophobicContact CG2-CG 3.94Å; F302-F306 HydrophobicContact CB-CD1 4.06Å; F302-F306 AromaticContact CD1-CD1 3.68Å; F302-F306 HydrophobicContact CD1-CD1 3.68Å; F302-F306 AromaticContact CD1-CE1 3.7Å; F302-F306 HydrophobicContact CD1-CE1 3.7Å; F302-F306 HydrophobicContact CE1-CD1 4.39Å; F302-F306 AromaticContact CE1-CE1 3.97Å; F302-F306 HydrophobicContact CE1-CE1 3.97Å; F302-F306 AromaticContact CG-CD1 3.95Å; F302-F306 HydrophobicContact CG-CD1 3.95Å; F302-F306 HydrophobicContact CG-CE1 4.06Å; Y303-F306 WeakPolarHBondContact O-CB 3.33Å; Y303-F306 PolarHBondContact O-N 3.3Å; V304-F306 PolarHBondContact O-N 3.23Å; F306-I310 HydrophobicContact CE1-CD1 4.37Å; F306-I310 HydrophobicContact CZ-CD1 4.29Å
307D96.6Very high95.7Very high1 Ų125.4 Ų25.41%0.00512%0.121CC..Hα-helixtrans-95.9-23.3-170.769.3-14.5000114.6H147 V151 V290 F302 Y303 V304 T309 I310 G311H147-D307 PolarHBondContact CE1-O 3.49Å; H147-D307 VanDerWaalsContact CE1-O 3.32Å; H147-D307 IonicContact NE2-OD2 2.63Å; V151-D307 HydrophobicContact CB-CB 4.43Å; V151-D307 HydrophobicContact CG1-CB 3.76Å; V151-D307 HydrophobicContact CG2-CB 3.7Å; V290-D307 VanDerWaalsContact CG2-OD2 3.23Å; V290-D307 WeakPolarHBondContact CG2-OD2 2.97Å; F302-D307 HydrophobicContact CB-CB 4.48Å; Y303-D307 PolarHBondContact O-N 2.97Å; V304-D307 WeakPolarHBondContact CA-OD1 3.46Å; V304-D307 PolarHBondContact O-N 3.12Å; D307-T309 PolarHBondContact O-N 2.91Å; D307-T309 VanDerWaalsContact O-N 3.17Å; D307-I310 CarbonylContact O-C 3.47Å; D307-I310 WeakPolarHBondContact O-CA 3.22Å; D307-I310 VanDerWaalsContact O-CB 3.27Å; D307-I310 WeakPolarHBondContact O-CB 3.27Å; D307-I310 PolarHBondContact O-N 3.23Å; D307-G311 PolarHBondContact O-N 2.87Å; D307-G311 VanDerWaalsContact O-N 3.11Å
308A96.8Very high95.8Very high17 Ų1728 Ų2814%0.1414%0.135CC..THydrogen-bonded Turntrans-57.5-36.5-17800000113L57 V304 G311L57-A308 WeakPolarHBondContact CD1-O 3.29Å; V304-A308 HydrophobicContact CG2-CB 4.02Å; V304-A308 WeakPolarHBondContact O-CB 3.41Å; V304-A308 PolarHBondContact O-N 3.16Å; A308-G311 VanDerWaalsContact O-CA 3.25Å; A308-G311 WeakPolarHBondContact O-CA 3.27Å; A308-G311 PolarHBondContact O-N 3.4Å
309T97.8Very high96.1Very high6 Ų623.2 Ų23.24%0.03711%0.114CC..THydrogen-bonded Turntrans-72.2-27.9176.152.90000112.7D307 G311 Y312 F348 F353D307-T309 PolarHBondContact O-N 2.91Å; D307-T309 VanDerWaalsContact O-N 3.17Å; T309-G311 PolarHBondContact O-N 2.91Å; T309-Y312 WeakPolarHBondContact O-CD2 3.47Å; T309-Y312 PolarHBondContact O-N 3.21Å; T309-F348 HydrophobicContact CG2-CB 4.15Å; T309-F353 HydrophobicContact CG2-CB 3.98Å; T309-F353 HydrophobicContact CG2-CG 4.34Å; T309-F353 WeakPolarHBondContact O-CZ 3.28Å; T309-F353 WeakPolarHBondContact OG1-CB 3.45Å; T309-F353 WeakPolarHBondContact OG1-CD2 3.31Å
310I98.5Very high96.4Very high1 Ų117.4 Ų17.41%0.0058%0.083CC..THydrogen-bonded Turntrans-68.3-19.3167.9-55.4172.1000110.4I150 V151 V154 F306 D307 Y312 M313 S314 F353I150-I310 HydrophobicContact CB-CG2 4.39Å; I150-I310 HydrophobicContact CG2-CG2 3.62Å; V151-I310 HydrophobicContact CB-CD1 4.45Å; V151-I310 HydrophobicContact CG1-CD1 4.43Å; V151-I310 HydrophobicContact CG2-CB 3.9Å; V151-I310 HydrophobicContact CG2-CD1 4.09Å; V151-I310 HydrophobicContact CG2-CG2 3.67Å; V154-I310 HydrophobicContact CB-CD1 4.05Å; V154-I310 HydrophobicContact CG1-CD1 3.99Å; V154-I310 HydrophobicContact CG2-CD1 4.38Å; F306-I310 HydrophobicContact CE1-CD1 4.37Å; F306-I310 HydrophobicContact CZ-CD1 4.29Å; D307-I310 CarbonylContact O-C 3.47Å; D307-I310 WeakPolarHBondContact O-CA 3.22Å; D307-I310 VanDerWaalsContact O-CB 3.27Å; D307-I310 WeakPolarHBondContact O-CB 3.27Å; D307-I310 PolarHBondContact O-N 3.23Å; I310-Y312 PolarHBondContact O-N 2.89Å; I310-M313 HydrophobicContact CG2-SD 4.3Å; I310-M313 WeakPolarHBondContact O-CB 3.46Å; I310-M313 PolarHBondContact O-N 3.36Å; I310-S314 PolarHBondContact O-N 2.82Å; I310-S314 VanDerWaalsContact O-N 3.11Å; I310-F353 HydrophobicContact CG1-CD2 4.42Å; I310-F353 HydrophobicContact CG1-CE2 3.98Å
311G98.6Very high96.5Very high0 Ų026 Ų260%012%0.12CC..Hα-helixtrans-44.7-45168.900000113.1D307 A308 T309 M313 S314 I315D307-G311 PolarHBondContact O-N 2.87Å; D307-G311 VanDerWaalsContact O-N 3.11Å; A308-G311 VanDerWaalsContact O-CA 3.25Å; A308-G311 WeakPolarHBondContact O-CA 3.27Å; A308-G311 PolarHBondContact O-N 3.4Å; T309-G311 PolarHBondContact O-N 2.91Å; G311-M313 VanDerWaalsContact C-N 3.32Å; G311-M313 PolarHBondContact O-N 2.72Å; G311-S314 WeakPolarHBondContact CA-OG 3.37Å; G311-S314 PolarHBondContact O-N 2.83Å; G311-S314 PolarHBondContact O-OG 2.86Å; G311-I315 WeakPolarHBondContact O-CB 3.46Å; G311-I315 WeakPolarHBondContact O-CD1 3.47Å; G311-I315 WeakPolarHBondContact O-CG1 3.26Å; G311-I315 PolarHBondContact O-N 2.91Å
312Y98.7Very high96.3Very high6 Ų629.4 Ų29.42%0.02414%0.135CC..Hα-helixtrans-58.3-42.2179.1-55.1-55.3000113.1T54 S55 A56 L57 T309 I310 T316 H349T54-Y312 HydrophobicContact CG2-CD1 3.87Å; T54-Y312 HydrophobicContact CG2-CG 3.98Å; S55-Y312 WeakPolarHBondContact O-CE1 3.32Å; A56-Y312 WeakPolarHBondContact CA-OH 3.16Å; L57-Y312 HydrophobicContact CD1-CE1 4.32Å; L57-Y312 HydrophobicContact CD2-CD1 3.84Å; L57-Y312 HydrophobicContact CD2-CE1 3.51Å; L57-Y312 HydrophobicContact CG-CD1 4.2Å; L57-Y312 HydrophobicContact CG-CE1 3.59Å; T309-Y312 WeakPolarHBondContact O-CD2 3.47Å; T309-Y312 PolarHBondContact O-N 3.21Å; I310-Y312 PolarHBondContact O-N 2.89Å; Y312-T316 PolarHBondContact O-N 2.88Å; Y312-T316 VanDerWaalsContact O-N 3.12Å; Y312-T316 PolarHBondContact O-OG1 2.89Å; Y312-H349 AromaticContact CE2-CD2 3.78Å; Y312-H349 AromaticContact CE2-NE2 3.3Å; Y312-H349 VanDerWaalsContact CE2-NE2 3.3Å; Y312-H349 WeakPolarHBondContact CE2-NE2 3.36Å; Y312-H349 AromaticContact CZ-NE2 3.42Å; Y312-H349 PolarHBondContact OH-NE2 3.45Å
313M98.7Very high96.3Very high0 Ų030.1 Ų30.10%014%0.138CC..Hα-helixtrans-66.7-47.8177.7-61.4166.662.100110.7I150 I310 G311 I315 T316 A317 W323 W327 F353 L357 Y364I150-M313 HydrophobicContact CG2-CB 4.26Å; I150-M313 HydrophobicContact CG2-CE 3.85Å; I310-M313 HydrophobicContact CG2-SD 4.3Å; I310-M313 WeakPolarHBondContact O-CB 3.46Å; I310-M313 PolarHBondContact O-N 3.36Å; G311-M313 VanDerWaalsContact C-N 3.32Å; G311-M313 PolarHBondContact O-N 2.72Å; M313-I315 PolarHBondContact O-N 2.7Å; M313-T316 CarbonylContact O-C 3.54Å; M313-T316 WeakPolarHBondContact O-CB 3.35Å; M313-T316 PolarHBondContact O-N 3.46Å; M313-T316 VanDerWaalsContact O-N 3.16Å; M313-A317 PolarHBondContact O-N 3.17Å; M313-W323 HydrophobicContact CB-CZ3 4.25Å; M313-W323 HydrophobicContact CE-CH2 4.08Å; M313-W323 HydrophobicContact CE-CZ3 3.76Å; M313-W327 HydrophobicContact CB-CD2 4.38Å; M313-W327 HydrophobicContact CB-CG 4.4Å; M313-W327 HydrophobicContact CG-CB 4.46Å; M313-W327 HydrophobicContact CG-CD2 3.55Å; M313-W327 HydrophobicContact CG-CE3 3.7Å; M313-W327 HydrophobicContact CG-CG 3.9Å; M313-W327 HydrophobicContact CG-CZ2 4.4Å; M313-W327 HydrophobicContact CG-CZ3 4.18Å; M313-F353 HydrophobicContact CG-CZ 4.38Å; M313-F353 HydrophobicContact SD-CE2 4.17Å; M313-F353 HydrophobicContact SD-CZ 3.91Å; M313-L357 HydrophobicContact SD-CD2 4.18Å; M313-Y364 HydrophobicContact CE-CD1 3.78Å; M313-Y364 HydrophobicContact CE-CE1 3.18Å; M313-Y364 HydrophobicContact SD-CE1 4.39Å
314S98.8Very high96.4Very high0 Ų031 Ų310%014%0.143CC..Hα-helixtrans-67.3-35.1-178.966.60000114.1H147 I310 G311 T316 A317 N318H147-S314 PolarHBondContact ND1-OG 3.27Å; I310-S314 PolarHBondContact O-N 2.82Å; I310-S314 VanDerWaalsContact O-N 3.11Å; G311-S314 WeakPolarHBondContact CA-OG 3.37Å; G311-S314 PolarHBondContact O-N 2.83Å; G311-S314 PolarHBondContact O-OG 2.86Å; S314-T316 VanDerWaalsContact C-N 3.3Å; S314-A317 WeakPolarHBondContact O-CB 3.4Å; S314-A317 PolarHBondContact O-N 2.93Å; S314-N318 PolarHBondContact O-N 2.9Å; S314-N318 PolarHBondContact O-ND2 3.36Å
315I98.8Very high96.7Very high0 Ų033.4 Ų33.40%015%0.153CC..Hα-helixtrans-65-41.6173.4-70.6165.9000109L57 I93 C94 Y138 G311 M313 A317 N318 Y319L57-I315 HydrophobicContact CD1-CD1 4.22Å; L57-I315 HydrophobicContact CD2-CD1 3.77Å; I93-I315 HydrophobicContact CG2-CB 3.94Å; I93-I315 HydrophobicContact CG2-CG2 3.39Å; C94-I315 WeakPolarHBondContact O-CG2 3.34Å; Y138-I315 HydrophobicContact CD1-CG2 3.51Å; Y138-I315 VanDerWaalsContact CD1-O 3.26Å; Y138-I315 WeakPolarHBondContact CD1-O 3.44Å; Y138-I315 HydrophobicContact CE1-CG2 3.93Å; Y138-I315 WeakPolarHBondContact CE1-O 3.36Å; G311-I315 WeakPolarHBondContact O-CB 3.46Å; G311-I315 WeakPolarHBondContact O-CD1 3.47Å; G311-I315 WeakPolarHBondContact O-CG1 3.26Å; G311-I315 PolarHBondContact O-N 2.91Å; M313-I315 PolarHBondContact O-N 2.7Å; I315-A317 VanDerWaalsContact C-N 3.31Å; I315-A317 PolarHBondContact O-N 2.83Å; I315-N318 PolarHBondContact O-N 3.48Å; I315-Y319 PolarHBondContact O-N 2.93Å; I315-Y319 VanDerWaalsContact O-N 3.07Å
316T98.7Very high97.4Very high0 Ų028.6 Ų28.60%014%0.135CC..Hα-helixtrans-63.8-37.3174.2-48.30000111.7M52 L91 Y312 M313 S314 Y319 T320 W323 W327M52-T316 HydrophobicContact CE-CG2 4.13Å; L91-T316 HydrophobicContact CD2-CG2 4.1Å; Y312-T316 PolarHBondContact O-N 2.88Å; Y312-T316 VanDerWaalsContact O-N 3.12Å; Y312-T316 PolarHBondContact O-OG1 2.89Å; M313-T316 CarbonylContact O-C 3.54Å; M313-T316 WeakPolarHBondContact O-CB 3.35Å; M313-T316 PolarHBondContact O-N 3.46Å; M313-T316 VanDerWaalsContact O-N 3.16Å; S314-T316 VanDerWaalsContact C-N 3.3Å; T316-Y319 WeakPolarHBondContact O-CB 3.41Å; T316-Y319 PolarHBondContact O-N 3.41Å; T316-T320 HydrophobicContact CG2-CG2 4.48Å; T316-T320 PolarHBondContact O-N 3.23Å; T316-W323 HydrophobicContact CG2-CB 3.79Å; T316-W327 PolarHBondContact OG1-NE1 2.57Å
317A98.6Very high97.7Very high12 Ų1228.5 Ų28.510%0.09913%0.134CC..Hα-helixtrans-65.7-36.3176.400000113.1Q146 I150 M313 S314 I315 Y319 W323Q146-A317 HydrophobicContact CB-CB 4.4Å; Q146-A317 HydrophobicContact CG-CB 4.44Å; I150-A317 HydrophobicContact CD1-CB 3.66Å; M313-A317 PolarHBondContact O-N 3.17Å; S314-A317 WeakPolarHBondContact O-CB 3.4Å; S314-A317 PolarHBondContact O-N 2.93Å; I315-A317 VanDerWaalsContact C-N 3.31Å; I315-A317 PolarHBondContact O-N 2.83Å; A317-Y319 VanDerWaalsContact C-N 3.31Å; A317-W323 VanDerWaalsContact CA-CD1 3.5Å; A317-W323 HydrophobicContact CB-CB 4.23Å; A317-W323 HydrophobicContact CB-CD2 3.97Å; A317-W323 HydrophobicContact CB-CG 3.62Å
318N98.4Very high97.7Very high57 Ų5730.4 Ų30.431%0.30514%0.143SC..Hα-helixtrans-71-26.8172.5-75-68.8000112.6Y138 T144 S314 I315Y138-N318 HydrophobicContact CE1-CB 3.83Å; T144-N318 PolarHBondContact OG1-ND2 3.45Å; S314-N318 PolarHBondContact O-N 2.9Å; S314-N318 PolarHBondContact O-ND2 3.36Å; I315-N318 PolarHBondContact O-N 3.48Å
319Y98Very high97.6Very high33 Ų3331.2 Ų31.213%0.12915%0.147CC..Hα-helixtrans-74.2-43.3173.3170.4-114.2000112.6P38 K39 L91 Y138 I315 T316 A317P38-Y319 WeakPolarHBondContact CA-OH 3.44Å; P38-Y319 HydrophobicContact CB-CD1 4.33Å; P38-Y319 HydrophobicContact CB-CE1 3.72Å; P38-Y319 HydrophobicContact CB-CE2 4.25Å; K39-Y319 PolarHBondContact N-OH 3.34Å; K39-Y319 VanDerWaalsContact N-OH 3.1Å; L91-Y319 HydrophobicContact CD1-CD1 4.06Å; L91-Y319 HydrophobicContact CD1-CE1 3.56Å; Y138-Y319 HydrophobicContact CD2-CD2 4.25Å; Y138-Y319 HydrophobicContact CG-CD2 4.07Å; Y138-Y319 HydrophobicContact CG-CG 4.28Å; I315-Y319 PolarHBondContact O-N 2.93Å; I315-Y319 VanDerWaalsContact O-N 3.07Å; T316-Y319 WeakPolarHBondContact O-CB 3.41Å; T316-Y319 PolarHBondContact O-N 3.41Å; A317-Y319 VanDerWaalsContact C-N 3.31Å
320T97.2Very high97.4Very high7 Ų733.9 Ų33.94%0.04317%0.166CC..  trans-149.4140.5-174.2-177.10000113.5T316 H322 W323T316-T320 HydrophobicContact CG2-CG2 4.48Å; T316-T320 PolarHBondContact O-N 3.23Å; T320-H322 PolarHBondContact O-N 2.88Å; T320-H322 PolarHBondContact OG1-N 3.08Å; T320-H322 VanDerWaalsContact OG1-N 3.17Å; T320-W323 HydrophobicContact CG2-CB 4.28Å; T320-W323 WeakPolarHBondContact O-CB 3.48Å; T320-W323 PolarHBondContact O-N 2.97Å
321K95.7Very high97Very high200 Ų20040.8 Ų40.887%0.8720%0.203SC*.THydrogen-bonded Turntrans-62.6-19.8170.6-62.6-175179.9-178.80112.7W323K321-W323 VanDerWaalsContact C-N 3.32Å
322H94.2Very high96.6Very high80 Ų8046.4 Ų46.437%0.3723%0.233SC..THydrogen-bonded Turntrans-91.216.9179.7-56.5-64.3000113.5T320 K324 Q325T320-H322 PolarHBondContact O-N 2.88Å; T320-H322 PolarHBondContact OG1-N 3.08Å; T320-H322 VanDerWaalsContact OG1-N 3.17Å; H322-K324 PolarHBondContact O-N 3.48Å; H322-K324 VanDerWaalsContact O-N 3.09Å; H322-Q325 HydrophobicContact CB-CG 4.38Å; H322-Q325 WeakPolarHBondContact O-CB 3.38Å; H322-Q325 PolarHBondContact O-N 3.16Å
323W97.3Very high96.3Very high19 Ų1947.3 Ų47.37%0.07224%0.238CC..Hα-helixtrans-56.4-31.5-173.871.2-92.8000113.8I150 M313 T316 A317 T320 K321 Q325 W326 W327I150-W323 HydrophobicContact CD1-CH2 4.06Å; I150-W323 HydrophobicContact CD1-CZ2 3.76Å; I150-W323 HydrophobicContact CG1-CH2 4.24Å; I150-W323 HydrophobicContact CG1-CZ2 4Å; I150-W323 HydrophobicContact CG2-CH2 4.41Å; M313-W323 HydrophobicContact CB-CZ3 4.25Å; M313-W323 HydrophobicContact CE-CH2 4.08Å; M313-W323 HydrophobicContact CE-CZ3 3.76Å; T316-W323 HydrophobicContact CG2-CB 3.79Å; A317-W323 VanDerWaalsContact CA-CD1 3.5Å; A317-W323 HydrophobicContact CB-CB 4.23Å; A317-W323 HydrophobicContact CB-CD2 3.97Å; A317-W323 HydrophobicContact CB-CG 3.62Å; T320-W323 HydrophobicContact CG2-CB 4.28Å; T320-W323 WeakPolarHBondContact O-CB 3.48Å; T320-W323 PolarHBondContact O-N 2.97Å; K321-W323 VanDerWaalsContact C-N 3.32Å; W323-Q325 PolarHBondContact O-N 3.02Å; W323-W326 WeakPolarHBondContact O-CB 3.36Å; W323-W326 PolarHBondContact O-N 3.28Å; W323-W327 HydrophobicContact CE3-CB 3.86Å; W323-W327 AromaticContact CE3-CD1 3.94Å; W323-W327 HydrophobicContact CE3-CG 4.17Å; W323-W327 HydrophobicContact CZ3-CB 3.87Å; W323-W327 HydrophobicContact CZ3-CG 4.42Å; W323-W327 PolarHBondContact O-N 3.26Å
324K96.9Very high96.1Very high86 Ų8651.8 Ų51.837%0.37426%0.259SS..Hα-helixtrans-61.9-27.2175.4-68.8-170.3174.5-172.40112.7H322 W326 W327 Q328H322-K324 PolarHBondContact O-N 3.48Å; H322-K324 VanDerWaalsContact O-N 3.09Å; K324-W326 PolarHBondContact O-N 2.91Å; K324-W327 PolarHBondContact O-N 2.71Å; K324-Q328 HydrophobicContact CB-CB 4.5Å; K324-Q328 CarbonylContact O-C 3.34Å; K324-Q328 WeakPolarHBondContact O-CA 3.33Å; K324-Q328 WeakPolarHBondContact O-CB 3.45Å; K324-Q328 PolarHBondContact O-N 3.06Å
325Q96.8Very high96Very high73 Ų7352.6 Ų52.634%0.34126%0.263SS..Hα-helixtrans-64.5-27.3174.8-61.8-178.31.700112P41 H322 W323 P329P41-Q325 HydrophobicContact CG-CB 3.87Å; P41-Q325 WeakPolarHBondContact CG-O 3.34Å; H322-Q325 HydrophobicContact CB-CG 4.38Å; H322-Q325 WeakPolarHBondContact O-CB 3.38Å; H322-Q325 PolarHBondContact O-N 3.16Å; W323-Q325 PolarHBondContact O-N 3.02Å; Q325-P329 WeakPolarHBondContact O-CA 3.41Å; Q325-P329 WeakPolarHBondContact O-CB 3.47Å
326W98Very high96Very high0 Ų053.4 Ų53.40%027%0.267CS..Hα-helixtrans-89.7-37.5176.5-71100.4000113.5K39 P41 N50 M52 N89 L91 W323 K324 I335 T365K39-W326 HydrophobicContact CB-CZ2 4.27Å; K39-W326 PolarHBondContact O-NE1 2.59Å; P41-W326 HydrophobicContact CG-CD2 3.69Å; P41-W326 HydrophobicContact CG-CE3 4.13Å; P41-W326 HydrophobicContact CG-CG 3.97Å; P41-W326 HydrophobicContact CG-CZ2 4.16Å; N50-W326 HydrophobicContact CB-CH2 4.11Å; N50-W326 HydrophobicContact CB-CZ3 3.83Å; M52-W326 HydrophobicContact CB-CE3 4.16Å; M52-W326 HydrophobicContact CB-CZ3 4.36Å; M52-W326 HydrophobicContact CE-CB 3.35Å; M52-W326 HydrophobicContact CE-CD2 4Å; M52-W326 HydrophobicContact CE-CE3 4.04Å; M52-W326 HydrophobicContact CE-CG 3.74Å; M52-W326 HydrophobicContact SD-CB 4.36Å; N89-W326 WeakPolarHBondContact ND2-CH2 3.46Å; L91-W326 HydrophobicContact CB-CD2 4.37Å; L91-W326 HydrophobicContact CB-CE3 4.4Å; L91-W326 HydrophobicContact CB-CH2 3.83Å; L91-W326 HydrophobicContact CB-CZ2 3.78Å; L91-W326 HydrophobicContact CB-CZ3 4.14Å; L91-W326 HydrophobicContact CD2-CD2 3.68Å; L91-W326 HydrophobicContact CD2-CE3 4.38Å; L91-W326 HydrophobicContact CD2-CG 3.79Å; L91-W326 HydrophobicContact CD2-CZ2 4.12Å; W323-W326 WeakPolarHBondContact O-CB 3.36Å; W323-W326 PolarHBondContact O-N 3.28Å; K324-W326 PolarHBondContact O-N 2.91Å; W326-I335 HydrophobicContact CD2-CD1 4.41Å; W326-I335 HydrophobicContact CE3-CD1 3.65Å; W326-I335 HydrophobicContact CE3-CG1 4.42Å; W326-I335 HydrophobicContact CE3-CG2 3.97Å; W326-I335 HydrophobicContact CZ3-CD1 3.95Å; W326-I335 HydrophobicContact CZ3-CG2 4.39Å; W326-T365 PolarHBondContact O-OG1 3.07Å
327W98.1Very high96Very high0 Ų053.4 Ų53.40%027%0.267CS..Hα-helixtrans-99.2-14.6-174.6-74.6101.3000114.6M52 T54 M313 T316 W323 K324 L337 F353 Y364 T365M52-W327 HydrophobicContact CE-CZ2 4.37Å; M52-W327 HydrophobicContact SD-CD2 4.21Å; M52-W327 VanDerWaalsContact SD-CE2 3.58Å; M52-W327 HydrophobicContact SD-CH2 4.19Å; M52-W327 HydrophobicContact SD-CZ2 3.57Å; M52-W327 VanDerWaalsContact SD-CZ2 3.57Å; T54-W327 HydrophobicContact CG2-CH2 4.37Å; T54-W327 HydrophobicContact CG2-CZ2 4.27Å; M313-W327 HydrophobicContact CB-CD2 4.38Å; M313-W327 HydrophobicContact CB-CG 4.4Å; M313-W327 HydrophobicContact CG-CB 4.46Å; M313-W327 HydrophobicContact CG-CD2 3.55Å; M313-W327 HydrophobicContact CG-CE3 3.7Å; M313-W327 HydrophobicContact CG-CG 3.9Å; M313-W327 HydrophobicContact CG-CZ2 4.4Å; M313-W327 HydrophobicContact CG-CZ3 4.18Å; T316-W327 PolarHBondContact OG1-NE1 2.57Å; W323-W327 HydrophobicContact CE3-CB 3.86Å; W323-W327 AromaticContact CE3-CD1 3.94Å; W323-W327 HydrophobicContact CE3-CG 4.17Å; W323-W327 HydrophobicContact CZ3-CB 3.87Å; W323-W327 HydrophobicContact CZ3-CG 4.42Å; W323-W327 PolarHBondContact O-N 3.26Å; K324-W327 PolarHBondContact O-N 2.71Å; W327-L337 HydrophobicContact CH2-CD1 4.24Å; W327-L337 HydrophobicContact CH2-CD2 4.06Å; W327-L337 HydrophobicContact CZ3-CD2 3.91Å; W327-F353 HydrophobicContact CZ3-CE1 4.21Å; W327-F353 HydrophobicContact CZ3-CZ 4.38Å; W327-Y364 CarbonylContact O-C 3.45Å; W327-Y364 WeakPolarHBondContact O-CA 3.37Å; W327-Y364 WeakPolarHBondContact O-CD1 3.39Å; W327-T365 PolarHBondContact O-N 3.43Å
328Q96.9Very high96Very high42 Ų4252.9 Ų52.920%0.19626%0.262CS..SBendtrans-14158.6174.9-66.6176.2-9.900109K324 G363 Y364K324-Q328 HydrophobicContact CB-CB 4.5Å; K324-Q328 CarbonylContact O-C 3.34Å; K324-Q328 WeakPolarHBondContact O-CA 3.33Å; K324-Q328 WeakPolarHBondContact O-CB 3.45Å; K324-Q328 PolarHBondContact O-N 3.06Å; Q328-G363 WeakPolarHBondContact CA-O 3.22Å; Q328-Y364 HydrophobicContact CG-CD1 3.53Å; Q328-Y364 HydrophobicContact CG-CE1 3.66Å; Q328-Y364 HydrophobicContact CG-CG 4.36Å; Q328-Y364 PolarHBondContact NE2-OH 3.21Å
329P95.8Very high96Very high33 Ų3350.2 Ų50.221%0.21425%0.248CC..  trans-61.8146.2-17326.8-35.3000111.3Q325 N333 I335 T365Q325-P329 WeakPolarHBondContact O-CA 3.41Å; Q325-P329 WeakPolarHBondContact O-CB 3.47Å; P329-N333 HydrophobicContact CB-CB 4.07Å; P329-I335 HydrophobicContact CB-CG1 3.86Å; P329-I335 HydrophobicContact CG-CG1 3.9Å; P329-T365 WeakPolarHBondContact CD-OG1 3.46Å
330S93Very high96.1Very high62 Ų6248.7 Ų48.743%0.43424%0.242SC..  trans-68.3163.116675.90000110.7N332 N333S330-N332 PolarHBondContact O-N 3.01Å; S330-N332 PolarHBondContact OG-N 2.97Å; S330-N333 PolarHBondContact O-N 3.47Å; S330-N333 VanDerWaalsContact O-O 3.08Å; S330-N333 PolarHBondContact OG-OD1 2.75Å
331D90.1Very high96.1Very high147 Ų14748.4 Ų48.479%0.78624%0.24SC*.THydrogen-bonded Turntrans-57.2-19.5176.6-64.7-28.3000113.8K44 N333K44-D331 WeakPolarHBondContact CD-O 3.4Å; K44-D331 WeakPolarHBondContact CE-O 3.46Å; K44-D331 PolarHBondContact NZ-O 2.57Å; D331-N333 VanDerWaalsContact C-N 3.32Å
332N90.9Very high96Very high117 Ų11739.8 Ų39.863%0.62621%0.206SC*.THydrogen-bonded Turntrans-79.6-9.7177.2-71.1-26000114.1K44 S330K44-N332 WeakPolarHBondContact CG-O 3.24Å; K44-N332 PolarHBondContact N-O 2.63Å; S330-N332 PolarHBondContact O-N 3.01Å; S330-N332 PolarHBondContact OG-N 2.97Å
333N91.3Very high95.9Very high26 Ų2638.3 Ų38.314%0.13920%0.199CC..  trans-120.5129.9179-59.7106.4000109.5P41 Q42 P329 S330 D331P41-N333 HydrophobicContact CB-CB 4.17Å; Q42-N333 PolarHBondContact O-ND2 2.72Å; P329-N333 HydrophobicContact CB-CB 4.07Å; S330-N333 PolarHBondContact O-N 3.47Å; S330-N333 VanDerWaalsContact O-O 3.08Å; S330-N333 PolarHBondContact OG-OD1 2.75Å; D331-N333 VanDerWaalsContact C-N 3.32Å
334E94.4Very high95.5Very high94 Ų9441.2 Ų41.244%0.43922%0.216SC..  trans-103.8130.6166.9-168.9172.417000108.5K44 N50 K368K44-E334 HydrophobicContact CG-CB 4.23Å; N50-E334 WeakPolarHBondContact CB-O 3.12Å; N50-E334 PolarHBondContact ND2-O 3.46Å; E334-K368 IonicContact OE1-NZ 3.37Å; E334-K368 PolarHBondContact OE1-NZ 3.05Å
335I97.9Very high95.4Very high16 Ų1638.9 Ų38.98%0.08221%0.207CC..EExtended strand (participates in β ladder)trans-115.3123.3175.7-51.6-57000108.3P41 N50 M52 W326 P329 T365P41-I335 HydrophobicContact CB-CD1 3.67Å; P41-I335 HydrophobicContact CG-CD1 3.72Å; N50-I335 HydrophobicContact CB-CD1 3.78Å; M52-I335 HydrophobicContact CB-CG2 3.83Å; W326-I335 HydrophobicContact CD2-CD1 4.41Å; W326-I335 HydrophobicContact CE3-CD1 3.65Å; W326-I335 HydrophobicContact CE3-CG1 4.42Å; W326-I335 HydrophobicContact CE3-CG2 3.97Å; W326-I335 HydrophobicContact CZ3-CD1 3.95Å; W326-I335 HydrophobicContact CZ3-CG2 4.39Å; P329-I335 HydrophobicContact CB-CG1 3.86Å; P329-I335 HydrophobicContact CG-CG1 3.9Å; I335-T365 HydrophobicContact CB-CG2 4.02Å; I335-T365 HydrophobicContact CG2-CG2 3.9Å
336E98Very high95.4Very high17 Ų1735.4 Ų35.48%0.07919%0.191CC..EExtended strand (participates in β ladder)trans-95.7103.8171.8-59.4179.6-147.900108.7R49 N50 M52 F338 K368 H369R49-E336 IonicContact CZ-OE1 3.4Å; R49-E336 IonicContact CZ-OE2 3.15Å; R49-E336 IonicContact NE-OE1 3.44Å; R49-E336 PolarHBondContact NE-OE1 3.49Å; R49-E336 IonicContact NE-OE2 3.5Å; R49-E336 PolarHBondContact NE-OE2 3.23Å; R49-E336 IonicContact NH2-OE1 2.69Å; R49-E336 IonicContact NH2-OE2 3.14Å; R49-E336 PolarHBondContact NH2-OE2 3.15Å; N50-E336 PolarHBondContact O-N 3.06Å; M52-E336 PolarHBondContact N-O 3.08Å; E336-F338 HydrophobicContact CB-CD2 4.42Å; E336-F338 HydrophobicContact CB-CE2 3.94Å; E336-K368 HydrophobicContact CB-CD 4.11Å; E336-K368 HydrophobicContact CG-CD 3.89Å; E336-H369 IonicContact OE2-NE2 3.4Å
337L98.7Very high95.2Very high1 Ų135.9 Ų35.91%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-87.3116.6178176.461.6000110.8M52 T54 W327 Q339 T365 V367 K368 H369M52-L337 HydrophobicContact CB-CD1 4.14Å; M52-L337 HydrophobicContact CG-CD1 3.76Å; M52-L337 CarbonylContact O-C 3.6Å; M52-L337 WeakPolarHBondContact O-CA 3.3Å; M52-L337 HydrophobicContact SD-CD1 4.11Å; T54-L337 HydrophobicContact CG2-CD1 4.03Å; W327-L337 HydrophobicContact CH2-CD1 4.24Å; W327-L337 HydrophobicContact CH2-CD2 4.06Å; W327-L337 HydrophobicContact CZ3-CD2 3.91Å; L337-Q339 HydrophobicContact CD1-CG 4.1Å; L337-Q339 HydrophobicContact CD2-CG 4.14Å; L337-Q339 HydrophobicContact CG-CG 3.86Å; L337-T365 HydrophobicContact CB-CG2 3.94Å; L337-T365 HydrophobicContact CD2-CG2 4.46Å; L337-V367 HydrophobicContact CD2-CB 4.21Å; L337-K368 PolarHBondContact O-N 2.72Å; L337-H369 PolarHBondContact O-N 3.18Å
338F98.8Very high95.1Very high1 Ų137.2 Ų37.20%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-102.7125171-72.2-107.4000110V51 M52 I53 T54 F79 E336 F340 H369V51-F338 HydrophobicContact CG1-CD2 3.66Å; V51-F338 HydrophobicContact CG1-CE2 3.82Å; M52-F338 PolarHBondContact O-N 3.41Å; I53-F338 WeakPolarHBondContact CA-O 3.48Å; I53-F338 HydrophobicContact CG1-CB 4.3Å; T54-F338 PolarHBondContact N-O 3.33Å; F79-F338 HydrophobicContact CD1-CD1 4.17Å; F79-F338 HydrophobicContact CD1-CG 4.41Å; F79-F338 HydrophobicContact CE1-CB 4.39Å; F79-F338 AromaticContact CE1-CD1 3.42Å; F79-F338 HydrophobicContact CE1-CD1 3.42Å; F79-F338 VanDerWaalsContact CE1-CD1 3.42Å; F79-F338 HydrophobicContact CE1-CD2 4.02Å; F79-F338 AromaticContact CE1-CE1 3.52Å; F79-F338 HydrophobicContact CE1-CE1 3.52Å; F79-F338 HydrophobicContact CE1-CE2 4.11Å; F79-F338 AromaticContact CE1-CG 3.69Å; F79-F338 HydrophobicContact CE1-CG 3.69Å; F79-F338 AromaticContact CE1-CZ 3.87Å; F79-F338 HydrophobicContact CE1-CZ 3.87Å; F79-F338 HydrophobicContact CE2-CE1 4.48Å; F79-F338 AromaticContact CZ-CD1 3.86Å; F79-F338 HydrophobicContact CZ-CD1 3.86Å; F79-F338 AromaticContact CZ-CE1 3.46Å; F79-F338 HydrophobicContact CZ-CE1 3.46Å; F79-F338 VanDerWaalsContact CZ-CE1 3.46Å; F79-F338 HydrophobicContact CZ-CE2 4.33Å; F79-F338 HydrophobicContact CZ-CG 4.46Å; F79-F338 AromaticContact CZ-CZ 3.72Å; F79-F338 HydrophobicContact CZ-CZ 3.72Å; E336-F338 HydrophobicContact CB-CD2 4.42Å; E336-F338 HydrophobicContact CB-CE2 3.94Å; F338-F340 HydrophobicContact CB-CE2 4Å; F338-H369 WeakPolarHBondContact CA-O 3.48Å; F338-H369 HydrophobicContact CB-CB 4.48Å; F338-H369 HydrophobicContact CD1-CB 3.44Å; F338-H369 VanDerWaalsContact CD1-CB 3.44Å; F338-H369 AromaticContact CD1-CD2 3.89Å; F338-H369 AromaticContact CD1-CG 3.67Å; F338-H369 HydrophobicContact CD2-CB 4.44Å; F338-H369 AromaticContact CD2-CD2 3.6Å; F338-H369 HydrophobicContact CE1-CB 3.65Å; F338-H369 AromaticContact CE1-CD2 3.54Å; F338-H369 AromaticContact CE1-CG 3.36Å; F338-H369 AromaticContact CE1-ND1 3.72Å; F338-H369 AromaticContact CE2-CD2 3.21Å; F338-H369 WeakPolarHBondContact CE2-CD2 3.49Å; F338-H369 AromaticContact CE2-CG 3.95Å; F338-H369 AromaticContact CE2-NE2 3.56Å; F338-H369 HydrophobicContact CG-CB 3.87Å; F338-H369 AromaticContact CG-CD2 3.92Å; F338-H369 HydrophobicContact CZ-CB 4.25Å; F338-H369 AromaticContact CZ-CD2 3.17Å; F338-H369 WeakPolarHBondContact CZ-CD2 3.47Å; F338-H369 AromaticContact CZ-CE1 3.7Å; F338-H369 AromaticContact CZ-CG 3.51Å; F338-H369 AromaticContact CZ-ND1 3.8Å; F338-H369 AromaticContact CZ-NE2 3.35Å; F338-H369 WeakPolarHBondContact CZ-NE2 3.49Å
339Q98.9Very high95.1Very high1 Ų135.5 Ų35.51%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-119.4118.2178-53.1-157.7-7700111.2T54 L337 M341 V367 H369 L370 L371T54-Q339 WeakPolarHBondContact O-CA 3.4Å; T54-Q339 VanDerWaalsContact OG1-CG 3.31Å; T54-Q339 WeakPolarHBondContact OG1-CG 3.4Å; T54-Q339 PolarHBondContact OG1-NE2 3.33Å; T54-Q339 VanDerWaalsContact OG1-NE2 3.13Å; L337-Q339 HydrophobicContact CD1-CG 4.1Å; L337-Q339 HydrophobicContact CD2-CG 4.14Å; L337-Q339 HydrophobicContact CG-CG 3.86Å; Q339-M341 HydrophobicContact CB-CE 3.58Å; Q339-V367 HydrophobicContact CB-CG2 4.24Å; Q339-V367 HydrophobicContact CG-CB 4.2Å; Q339-V367 HydrophobicContact CG-CG2 3.76Å; Q339-H369 PolarHBondContact N-O 3.4Å; Q339-L370 HydrophobicContact CB-CD1 4.08Å; Q339-L371 WeakPolarHBondContact O-CB 3.34Å; Q339-L371 PolarHBondContact O-N 2.92Å
340F98.8Very high95.2Very high1 Ų134 Ų340%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-101.9127.6-179.3-71.6-98.8000111.3I53 T54 A56 A76 F79 F338 L371I53-F340 HydrophobicContact CG2-CD2 3.88Å; I53-F340 HydrophobicContact CG2-CE2 3.91Å; T54-F340 PolarHBondContact O-N 3.1Å; A56-F340 PolarHBondContact N-O 3.43Å; A76-F340 HydrophobicContact CB-CB 3.89Å; A76-F340 HydrophobicContact CB-CD2 3.81Å; A76-F340 HydrophobicContact CB-CG 3.83Å; F79-F340 HydrophobicContact CB-CE1 4.33Å; F79-F340 HydrophobicContact CB-CE2 4.16Å; F79-F340 HydrophobicContact CB-CZ 3.56Å; F79-F340 AromaticContact CD1-CE2 3.84Å; F79-F340 HydrophobicContact CD1-CE2 3.84Å; F79-F340 AromaticContact CD1-CZ 3.75Å; F79-F340 HydrophobicContact CD1-CZ 3.75Å; F79-F340 HydrophobicContact CG-CE2 4.28Å; F79-F340 AromaticContact CG-CZ 3.76Å; F79-F340 HydrophobicContact CG-CZ 3.76Å; F338-F340 HydrophobicContact CB-CE2 4Å; F340-L371 WeakPolarHBondContact CA-O 3.27Å; F340-L371 HydrophobicContact CD1-CB 3.93Å; F340-L371 HydrophobicContact CD1-CD1 4.42Å; F340-L371 HydrophobicContact CD1-CG 4.42Å; F340-L371 HydrophobicContact CE1-CB 4.13Å; F340-L371 HydrophobicContact CE1-CD1 3.78Å; F340-L371 HydrophobicContact CE1-CG 4.15Å; F340-L371 HydrophobicContact CG-CB 4.26Å; F340-L371 HydrophobicContact CZ-CD1 3.97Å; F340-L371 HydrophobicContact CZ-CG 4.22Å
341M97.7Very high95.4Very high1 Ų131 Ų311%0.00516%0.161CC..EExtended strand (participates in β ladder)trans-158.9171.6-177.865.5-161.267.500113.2A56 G71 Q339 N345 V346 H349 L370 L371 S372 T373A56-M341 HydrophobicContact CB-CB 3.82Å; G71-M341 CarbonylContact O-C 3.51Å; G71-M341 WeakPolarHBondContact O-CA 3.42Å; G71-M341 VanDerWaalsContact O-O 3.05Å; Q339-M341 HydrophobicContact CB-CE 3.58Å; M341-N345 HydrophobicContact CB-CB 3.88Å; M341-N345 HydrophobicContact CG-CB 4.09Å; M341-N345 HydrophobicContact SD-CB 3.86Å; M341-V346 HydrophobicContact SD-CG2 4.44Å; M341-H349 HydrophobicContact CE-CB 3.59Å; M341-H349 VanDerWaalsContact CE-CD2 3.44Å; M341-H349 WeakPolarHBondContact CE-CD2 2.98Å; M341-H349 HydrophobicContact SD-CB 3.76Å; M341-H349 VanDerWaalsContact SD-CG 3.57Å; M341-H349 PolarHBondContact SD-ND1 3.08Å; M341-L370 HydrophobicContact CE-CD1 3.36Å; M341-L370 HydrophobicContact SD-CD1 3.82Å; M341-L371 PolarHBondContact N-O 2.95Å; M341-S372 CarbonylContact O-C 3.57Å; M341-S372 VanDerWaalsContact O-CA 3.25Å; M341-S372 WeakPolarHBondContact O-CA 3.42Å; M341-T373 PolarHBondContact O-N 2.75Å
342A93.5Very high95.6Very high19 Ų1924.6 Ų24.616%0.15713%0.128CC..EExtended strand (participates in β ladder)trans-86.5161.2162.900000111G71 D344 N345 Y375G71-A342 PolarHBondContact O-N 3.32Å; A342-D344 VanDerWaalsContact CB-OD1 3.28Å; A342-D344 WeakPolarHBondContact CB-OD1 3.19Å; A342-D344 PolarHBondContact O-N 3.12Å; A342-D344 VanDerWaalsContact O-N 3.11Å; A342-N345 PolarHBondContact O-N 3.1Å; A342-Y375 HydrophobicContact CB-CE1 4.36Å
343K92.5Very high96Very high48 Ų4819.2 Ų19.221%0.20910%0.099CC..G310 helixtrans-58-24.5-172.466.3-177.6170.2-167.30116.5I268 N345 V346 S372 T373 E374 Y375 D419I268-K343 HydrophobicContact CD1-CB 3.88Å; K343-N345 VanDerWaalsContact C-N 3.27Å; K343-N345 PolarHBondContact O-N 2.81Å; K343-V346 PolarHBondContact O-N 3.2Å; K343-S372 WeakPolarHBondContact CA-OG 3.47Å; K343-S372 PolarHBondContact N-OG 3.5Å; K343-T373 PolarHBondContact N-O 3.5Å; K343-T373 VanDerWaalsContact N-O 3.13Å; K343-E374 WeakPolarHBondContact CD-OE2 3.42Å; K343-E374 WeakPolarHBondContact CE-OE2 3.33Å; K343-E374 IonicContact NZ-OE2 3.07Å; K343-E374 PolarHBondContact NZ-OE2 3.32Å; K343-Y375 HydrophobicContact CD-CE2 4.29Å; K343-Y375 HydrophobicContact CG-CE1 4.38Å; K343-Y375 HydrophobicContact CG-CE2 4.31Å; K343-D419 IonicContact NZ-OD1 2.9Å; K343-D419 PolarHBondContact NZ-OD1 3.39Å
344D89.4Confident96.3Very high80 Ų8018.1 Ų18.143%0.4289%0.093SC..G310 helixtrans-66.5-27.4175.356.8-29.4000113.3A342 P347A342-D344 VanDerWaalsContact CB-OD1 3.28Å; A342-D344 WeakPolarHBondContact CB-OD1 3.19Å; A342-D344 PolarHBondContact O-N 3.12Å; A342-D344 VanDerWaalsContact O-N 3.11Å; D344-P347 WeakPolarHBondContact O-CD 3.48Å
345N93.7Very high96.5Very high38 Ų3813.6 Ų13.620%0.2037%0.072CC..G310 helixtrans-86.3-11.2179.8-79.3-32.9000114M341 A342 K343 F348 H349M341-N345 HydrophobicContact CB-CB 3.88Å; M341-N345 HydrophobicContact CG-CB 4.09Å; M341-N345 HydrophobicContact SD-CB 3.86Å; A342-N345 PolarHBondContact O-N 3.1Å; K343-N345 VanDerWaalsContact C-N 3.27Å; K343-N345 PolarHBondContact O-N 2.81Å; N345-F348 PolarHBondContact O-N 3.39Å; N345-F348 VanDerWaalsContact O-N 3.11Å; N345-H349 PolarHBondContact O-N 3.01Å; N345-H349 PolarHBondContact O-ND1 3.27Å
346V96.1Very high96.5Very high0 Ų012.9 Ų12.90%07%0.068CC..Hα-helixtrans-53.8-47.8-177.1170.20000112.8A265 I268 M341 K343 F348 H349 A350 L370 S372A265-V346 HydrophobicContact CB-CG1 4.32Å; A265-V346 HydrophobicContact CB-CG2 4.18Å; I268-V346 HydrophobicContact CB-CB 4.43Å; I268-V346 HydrophobicContact CB-CG1 3.91Å; I268-V346 HydrophobicContact CD1-CB 4.35Å; I268-V346 HydrophobicContact CD1-CG2 4.38Å; I268-V346 HydrophobicContact CG2-CB 4.03Å; I268-V346 HydrophobicContact CG2-CG1 3.7Å; M341-V346 HydrophobicContact SD-CG2 4.44Å; K343-V346 PolarHBondContact O-N 3.2Å; V346-F348 PolarHBondContact O-N 2.96Å; V346-F348 VanDerWaalsContact O-N 3.1Å; V346-H349 PolarHBondContact O-N 2.84Å; V346-A350 HydrophobicContact CG1-CB 4.21Å; V346-A350 WeakPolarHBondContact O-CB 3.43Å; V346-A350 PolarHBondContact O-N 3.28Å; V346-L370 HydrophobicContact CG1-CD2 4.29Å; V346-S372 VanDerWaalsContact CG2-CB 3.5Å; V346-S372 WeakPolarHBondContact CG2-OG 3.25Å
347P95.7Very high96.5Very high10 Ų1012.3 Ų12.37%0.0657%0.066CC..Hα-helixtrans-57.6-31.9-178.6-26.636.9000113.4I268 W272 D344 I351 V352I268-P347 HydrophobicContact CG2-CG 3.98Å; W272-P347 HydrophobicContact CD2-CB 4.04Å; W272-P347 HydrophobicContact CD2-CG 4.41Å; W272-P347 HydrophobicContact CE3-CB 4.42Å; W272-P347 HydrophobicContact CH2-CB 3.99Å; W272-P347 HydrophobicContact CZ2-CB 3.58Å; W272-P347 HydrophobicContact CZ2-CG 3.74Å; W272-P347 HydrophobicContact CZ3-CB 4.39Å; D344-P347 WeakPolarHBondContact O-CD 3.48Å; P347-I351 WeakPolarHBondContact O-CA 3.25Å; P347-I351 WeakPolarHBondContact O-CB 3.41Å; P347-I351 PolarHBondContact O-N 3.43Å; P347-V352 PolarHBondContact O-N 3.22Å
348F94.9Very high96.5Very high28 Ų2813.3 Ų13.312%0.1237%0.071CC..Iπ-helixtrans-76.1-29.3-178.1-56.1-78.3000112.3W305 T309 N345 V346 V352 F353W305-F348 HydrophobicContact CB-CD1 4.15Å; W305-F348 HydrophobicContact CB-CE1 3.86Å; W305-F348 AromaticContact CD2-CD1 3.99Å; W305-F348 HydrophobicContact CD2-CD1 3.99Å; W305-F348 AromaticContact CD2-CE1 3.38Å; W305-F348 HydrophobicContact CD2-CE1 3.38Å; W305-F348 HydrophobicContact CD2-CE2 4.23Å; W305-F348 AromaticContact CD2-CZ 3.53Å; W305-F348 HydrophobicContact CD2-CZ 3.53Å; W305-F348 AromaticContact CE3-CD1 3.2Å; W305-F348 HydrophobicContact CE3-CD1 3.2Å; W305-F348 AromaticContact CE3-CD2 3.48Å; W305-F348 HydrophobicContact CE3-CD2 3.48Å; W305-F348 VanDerWaalsContact CE3-CD2 3.48Å; W305-F348 AromaticContact CE3-CE1 2.92Å; W305-F348 HydrophobicContact CE3-CE1 2.92Å; W305-F348 AromaticContact CE3-CE2 3.26Å; W305-F348 HydrophobicContact CE3-CE2 3.26Å; W305-F348 AromaticContact CE3-CG 3.47Å; W305-F348 HydrophobicContact CE3-CG 3.47Å; W305-F348 VanDerWaalsContact CE3-CG 3.47Å; W305-F348 AromaticContact CE3-CZ 2.95Å; W305-F348 HydrophobicContact CE3-CZ 2.95Å; W305-F348 HydrophobicContact CG-CD1 4.46Å; W305-F348 AromaticContact CG-CE1 3.91Å; W305-F348 HydrophobicContact CG-CE1 3.91Å; W305-F348 HydrophobicContact CG-CZ 4.44Å; W305-F348 HydrophobicContact CH2-CD2 4.18Å; W305-F348 HydrophobicContact CH2-CE1 4.35Å; W305-F348 AromaticContact CH2-CE2 3.43Å; W305-F348 HydrophobicContact CH2-CE2 3.43Å; W305-F348 VanDerWaalsContact CH2-CE2 3.43Å; W305-F348 AromaticContact CH2-CZ 3.51Å; W305-F348 HydrophobicContact CH2-CZ 3.51Å; W305-F348 HydrophobicContact CZ2-CE2 4.43Å; W305-F348 HydrophobicContact CZ2-CZ 4.1Å; W305-F348 AromaticContact CZ3-CD1 3.87Å; W305-F348 HydrophobicContact CZ3-CD1 3.87Å; W305-F348 AromaticContact CZ3-CD2 3.17Å; W305-F348 HydrophobicContact CZ3-CD2 3.17Å; W305-F348 AromaticContact CZ3-CE1 3.53Å; W305-F348 HydrophobicContact CZ3-CE1 3.53Å; W305-F348 AromaticContact CZ3-CE2 2.8Å; W305-F348 HydrophobicContact CZ3-CE2 2.8Å; W305-F348 AromaticContact CZ3-CG 3.71Å; W305-F348 HydrophobicContact CZ3-CG 3.71Å; W305-F348 AromaticContact CZ3-CZ 2.99Å; W305-F348 HydrophobicContact CZ3-CZ 2.99Å; T309-F348 HydrophobicContact CG2-CB 4.15Å; N345-F348 PolarHBondContact O-N 3.39Å; N345-F348 VanDerWaalsContact O-N 3.11Å; V346-F348 PolarHBondContact O-N 2.96Å; V346-F348 VanDerWaalsContact O-N 3.1Å; F348-V352 HydrophobicContact CD1-CB 4.33Å; F348-V352 HydrophobicContact CD1-CG2 3.92Å; F348-V352 HydrophobicContact CE1-CG2 4.27Å; F348-F353 WeakPolarHBondContact O-CB 3.33Å; F348-F353 PolarHBondContact O-N 3.38Å
349H97.8Very high96.4Very high6 Ų613.4 Ų13.43%0.0287%0.072CC..Iπ-helixtrans-99-23.5-176-6379.7000113.2Y312 M341 N345 V346 P354 L370Y312-H349 AromaticContact CE2-CD2 3.78Å; Y312-H349 AromaticContact CE2-NE2 3.3Å; Y312-H349 VanDerWaalsContact CE2-NE2 3.3Å; Y312-H349 WeakPolarHBondContact CE2-NE2 3.36Å; Y312-H349 AromaticContact CZ-NE2 3.42Å; Y312-H349 PolarHBondContact OH-NE2 3.45Å; M341-H349 HydrophobicContact CE-CB 3.59Å; M341-H349 VanDerWaalsContact CE-CD2 3.44Å; M341-H349 WeakPolarHBondContact CE-CD2 2.98Å; M341-H349 HydrophobicContact SD-CB 3.76Å; M341-H349 VanDerWaalsContact SD-CG 3.57Å; M341-H349 PolarHBondContact SD-ND1 3.08Å; N345-H349 PolarHBondContact O-N 3.01Å; N345-H349 PolarHBondContact O-ND1 3.27Å; V346-H349 PolarHBondContact O-N 2.84Å; H349-P354 WeakPolarHBondContact O-CD 3.46Å; H349-P354 WeakPolarHBondContact O-CG 3.42Å; H349-L370 HydrophobicContact CB-CD1 3.76Å
350A96.9Very high96.4Very high0 Ų013.3 Ų13.30%07%0.071CC..Iπ-helixtrans-93.7-32.1174.100000113.1W261 S269 V346 L370W261-A350 HydrophobicContact CH2-CB 4.08Å; W261-A350 HydrophobicContact CZ3-CB 4.02Å; S269-A350 WeakPolarHBondContact OG-CB 3.46Å; V346-A350 HydrophobicContact CG1-CB 4.21Å; V346-A350 WeakPolarHBondContact O-CB 3.43Å; V346-A350 PolarHBondContact O-N 3.28Å; A350-L370 HydrophobicContact CB-CD2 3.75Å
351I96.6Very high96.2Very high0 Ų018 Ų180%010%0.096CC..Iπ-helixtrans-113.4-67.9-172.7-48.8-59.7000110.9L246 W272 L273 L277 P347 A355L246-I351 HydrophobicContact CD2-CB 4.31Å; L246-I351 HydrophobicContact CD2-CD1 4.18Å; L246-I351 HydrophobicContact CD2-CG2 3.73Å; W272-I351 HydrophobicContact CB-CD1 4.26Å; W272-I351 HydrophobicContact CB-CG1 4.07Å; W272-I351 HydrophobicContact CG-CG1 4.47Å; L273-I351 HydrophobicContact CD1-CD1 4.27Å; L273-I351 HydrophobicContact CD2-CD1 4.13Å; L273-I351 HydrophobicContact CG-CD1 3.91Å; L277-I351 HydrophobicContact CD1-CG2 3.91Å; L277-I351 HydrophobicContact CD2-CG2 3.79Å; P347-I351 WeakPolarHBondContact O-CA 3.25Å; P347-I351 WeakPolarHBondContact O-CB 3.41Å; P347-I351 PolarHBondContact O-N 3.43Å; I351-A355 WeakPolarHBondContact O-CB 3.31Å; I351-A355 PolarHBondContact O-N 2.98Å
352V95.7Very high96.1Very high13 Ų1319.2 Ų19.28%0.07911%0.106CC..Iπ-helixtrans-65.2-51.6-166.3-178.20000112.3L237 P347 F348 A355 C356L237-V352 HydrophobicContact CD2-CG1 4.49Å; P347-V352 PolarHBondContact O-N 3.22Å; F348-V352 HydrophobicContact CD1-CB 4.33Å; F348-V352 HydrophobicContact CD1-CG2 3.92Å; F348-V352 HydrophobicContact CE1-CG2 4.27Å; V352-A355 PolarHBondContact O-N 3.48Å; V352-C356 PolarHBondContact O-N 3.41Å; V352-C356 VanDerWaalsContact O-N 3.08Å; V352-C356 PolarHBondContact O-SG 3.35Å
353F97.9Very high96.2Very high4 Ų421 Ų212%0.01813%0.127CC..Hα-helixtrans-70.1-48-177.6-174.4-128.2000112.4T309 I310 M313 W327 F348 A355 C356 L357T309-F353 HydrophobicContact CG2-CB 3.98Å; T309-F353 HydrophobicContact CG2-CG 4.34Å; T309-F353 WeakPolarHBondContact O-CZ 3.28Å; T309-F353 WeakPolarHBondContact OG1-CB 3.45Å; T309-F353 WeakPolarHBondContact OG1-CD2 3.31Å; I310-F353 HydrophobicContact CG1-CD2 4.42Å; I310-F353 HydrophobicContact CG1-CE2 3.98Å; M313-F353 HydrophobicContact CG-CZ 4.38Å; M313-F353 HydrophobicContact SD-CE2 4.17Å; M313-F353 HydrophobicContact SD-CZ 3.91Å; W327-F353 HydrophobicContact CZ3-CE1 4.21Å; W327-F353 HydrophobicContact CZ3-CZ 4.38Å; F348-F353 WeakPolarHBondContact O-CB 3.33Å; F348-F353 PolarHBondContact O-N 3.38Å; F353-A355 VanDerWaalsContact C-N 3.28Å; F353-A355 PolarHBondContact O-N 3.04Å; F353-C356 WeakPolarHBondContact O-CB 3.47Å; F353-C356 PolarHBondContact O-N 3.43Å; F353-C356 VanDerWaalsContact O-N 3.11Å; F353-L357 HydrophobicContact CD1-CD1 4Å; F353-L357 HydrophobicContact CD2-CD1 4.39Å; F353-L357 HydrophobicContact CD2-CD2 4.37Å; F353-L357 HydrophobicContact CD2-CG 4.15Å; F353-L357 HydrophobicContact CE1-CD1 3.6Å; F353-L357 HydrophobicContact CE1-CG 4.36Å; F353-L357 HydrophobicContact CE2-CD1 4.02Å; F353-L357 HydrophobicContact CE2-CD2 3.75Å; F353-L357 HydrophobicContact CE2-CG 3.91Å; F353-L357 HydrophobicContact CG-CD1 4.39Å; F353-L357 HydrophobicContact CG-CG 4.47Å; F353-L357 HydrophobicContact CZ-CD1 3.61Å; F353-L357 HydrophobicContact CZ-CD2 3.98Å; F353-L357 HydrophobicContact CZ-CG 4.04Å; F353-L357 WeakPolarHBondContact O-CG 3.32Å; F353-L357 PolarHBondContact O-N 3.46Å
354P98.2Very high96.4Very high2 Ų219.6 Ų19.61%0.01312%0.12CC..Hα-helixtrans-58.2-38.5173.3-27.437.6000113.1L246 F249 H349 C356 L357 L358 L366L246-P354 HydrophobicContact CD1-CB 3.77Å; F249-P354 HydrophobicContact CD1-CB 4.13Å; F249-P354 HydrophobicContact CE1-CB 3.76Å; F249-P354 HydrophobicContact CE1-CG 3.99Å; F249-P354 HydrophobicContact CZ-CB 4.48Å; H349-P354 WeakPolarHBondContact O-CD 3.46Å; H349-P354 WeakPolarHBondContact O-CG 3.42Å; P354-C356 PolarHBondContact O-N 3.05Å; P354-L357 PolarHBondContact O-N 3.42Å; P354-L358 WeakPolarHBondContact O-CB 3.36Å; P354-L358 WeakPolarHBondContact O-CD1 3.3Å; P354-L358 WeakPolarHBondContact O-CG 3.37Å; P354-L358 PolarHBondContact O-N 2.83Å; P354-L366 HydrophobicContact CB-CD2 4.5Å
355A98.1Very high96.9Very high0 Ų016.3 Ų16.30%010%0.103CC..Hα-helixtrans-57.2-49173.500000111.7L239 I242 L246 I351 V352 F353 L357 L358 A359L239-A355 HydrophobicContact CD2-CB 3.59Å; I242-A355 HydrophobicContact CG2-CB 3.79Å; L246-A355 HydrophobicContact CD2-CB 4.31Å; I351-A355 WeakPolarHBondContact O-CB 3.31Å; I351-A355 PolarHBondContact O-N 2.98Å; V352-A355 PolarHBondContact O-N 3.48Å; F353-A355 VanDerWaalsContact C-N 3.28Å; F353-A355 PolarHBondContact O-N 3.04Å; A355-L357 PolarHBondContact O-N 2.86Å; A355-L358 PolarHBondContact O-N 3.25Å; A355-A359 WeakPolarHBondContact O-CB 3.16Å; A355-A359 PolarHBondContact O-N 3.13Å
356C98.2Very high97.1Very high1 Ų116.1 Ų16.11%0.00710%0.102CC..Hα-helixtrans-58.7-47.8176.3-68.30000111.8L158 L237 V352 F353 P354 A359 A360L158-C356 HydrophobicContact CD1-CB 4.15Å; L158-C356 WeakPolarHBondContact CD2-O 3.35Å; L237-C356 VanDerWaalsContact CD2-SG 3.59Å; V352-C356 PolarHBondContact O-N 3.41Å; V352-C356 VanDerWaalsContact O-N 3.08Å; V352-C356 PolarHBondContact O-SG 3.35Å; F353-C356 WeakPolarHBondContact O-CB 3.47Å; F353-C356 PolarHBondContact O-N 3.43Å; F353-C356 VanDerWaalsContact O-N 3.11Å; P354-C356 PolarHBondContact O-N 3.05Å; C356-A359 PolarHBondContact O-N 3.25Å; C356-A360 VanDerWaalsContact O-CB 3.23Å; C356-A360 WeakPolarHBondContact O-CB 3.44Å; C356-A360 PolarHBondContact O-N 2.85Å
357L98.1Very high97.2Very high5 Ų516.2 Ų16.23%0.02610%0.103CC..Hα-helixtrans-67.2-42.5-178-63.2-174.9000112.3M313 F353 P354 A355 A360 D361 Y364 L366M313-L357 HydrophobicContact SD-CD2 4.18Å; F353-L357 HydrophobicContact CD1-CD1 4Å; F353-L357 HydrophobicContact CD2-CD1 4.39Å; F353-L357 HydrophobicContact CD2-CD2 4.37Å; F353-L357 HydrophobicContact CD2-CG 4.15Å; F353-L357 HydrophobicContact CE1-CD1 3.6Å; F353-L357 HydrophobicContact CE1-CG 4.36Å; F353-L357 HydrophobicContact CE2-CD1 4.02Å; F353-L357 HydrophobicContact CE2-CD2 3.75Å; F353-L357 HydrophobicContact CE2-CG 3.91Å; F353-L357 HydrophobicContact CG-CD1 4.39Å; F353-L357 HydrophobicContact CG-CG 4.47Å; F353-L357 HydrophobicContact CZ-CD1 3.61Å; F353-L357 HydrophobicContact CZ-CD2 3.98Å; F353-L357 HydrophobicContact CZ-CG 4.04Å; F353-L357 WeakPolarHBondContact O-CG 3.32Å; F353-L357 PolarHBondContact O-N 3.46Å; P354-L357 PolarHBondContact O-N 3.42Å; A355-L357 PolarHBondContact O-N 2.86Å; L357-A360 PolarHBondContact O-N 3.19Å; L357-D361 PolarHBondContact O-N 3.31Å; L357-Y364 HydrophobicContact CB-CD2 4.19Å; L357-Y364 HydrophobicContact CB-CG 4.4Å; L357-Y364 HydrophobicContact CD2-CD1 4.18Å; L357-Y364 HydrophobicContact CD2-CD2 3.67Å; L357-Y364 HydrophobicContact CD2-CE2 4.11Å; L357-Y364 HydrophobicContact CD2-CG 3.72Å; L357-Y364 HydrophobicContact CG-CD2 4.48Å; L357-Y364 HydrophobicContact CG-CG 4.46Å; L357-L366 HydrophobicContact CB-CD2 3.66Å; L357-L366 HydrophobicContact CD1-CD2 3.84Å; L357-L366 HydrophobicContact CG-CD2 4.4Å
358L98.3Very high97.3Very high21 Ų2117.1 Ų17.111%0.1111%0.106CC..Hα-helixtrans-67.5-34.8178.2-74.6168.4000112.8I242 K245 L246 F249 P354 A355 D361 L366I242-L358 HydrophobicContact CG1-CB 4.5Å; K245-L358 HydrophobicContact CD-CB 4.26Å; K245-L358 HydrophobicContact CD-CD2 4.33Å; K245-L358 HydrophobicContact CG-CD2 4.39Å; K245-L358 PolarHBondContact NZ-O 3.35Å; L246-L358 HydrophobicContact CD1-CD1 4.1Å; F249-L358 HydrophobicContact CB-CD1 3.99Å; F249-L358 HydrophobicContact CD1-CD1 4.43Å; F249-L358 HydrophobicContact CG-CD1 4.21Å; P354-L358 WeakPolarHBondContact O-CB 3.36Å; P354-L358 WeakPolarHBondContact O-CD1 3.3Å; P354-L358 WeakPolarHBondContact O-CG 3.37Å; P354-L358 PolarHBondContact O-N 2.83Å; A355-L358 PolarHBondContact O-N 3.25Å; L358-D361 WeakPolarHBondContact O-CB 3.28Å; L358-L366 HydrophobicContact CD2-CD1 3.6Å; L358-L366 HydrophobicContact CG-CD1 4.07Å; L358-L366 HydrophobicContact CG-CD2 4.36Å
359A97.9Very high97.5Very high3 Ų316.1 Ų16.13%0.02510%0.101CC..Hα-helixtrans-77.6-38176.600000111.9L158 K161 F163 I242 A355 C356 D361L158-A359 HydrophobicContact CD2-CB 3.37Å; K161-A359 WeakPolarHBondContact CD-O 3.25Å; F163-A359 HydrophobicContact CD1-CB 4.15Å; F163-A359 HydrophobicContact CD2-CB 3.68Å; F163-A359 HydrophobicContact CE1-CB 4.26Å; F163-A359 HydrophobicContact CE2-CB 3.78Å; F163-A359 HydrophobicContact CG-CB 3.86Å; F163-A359 HydrophobicContact CZ-CB 4.08Å; I242-A359 HydrophobicContact CD1-CB 4.09Å; I242-A359 HydrophobicContact CG1-CB 4.08Å; A355-A359 WeakPolarHBondContact O-CB 3.16Å; A355-A359 PolarHBondContact O-N 3.13Å; C356-A359 PolarHBondContact O-N 3.25Å; A359-D361 PolarHBondContact O-N 3.15Å
360A97.5Very high97.5Very high0 Ų015.8 Ų15.80%010%0.1CC..Hα-helixtrans-61.7-34.5172.900000111.3R157 L158 K161 C356 L357 A362 Y364R157-A360 HydrophobicContact CB-CB 4.07Å; L158-A360 HydrophobicContact CD2-CB 4.4Å; K161-A360 PolarHBondContact NZ-O 2.88Å; C356-A360 VanDerWaalsContact O-CB 3.23Å; C356-A360 WeakPolarHBondContact O-CB 3.44Å; C356-A360 PolarHBondContact O-N 2.85Å; L357-A360 PolarHBondContact O-N 3.19Å; A360-A362 PolarHBondContact O-N 2.99Å; A360-Y364 HydrophobicContact CB-CD2 4.37Å; A360-Y364 HydrophobicContact CB-CE2 3.88Å
361D95.3Very high97.6Very high99 Ų9915.9 Ų15.953%0.52910%0.1SC..THydrogen-bonded Turntrans50.263.8170166.669.1000111.1K161 K245 L357 L358 A359K161-D361 PolarHBondContact NZ-O 3.06Å; K161-D361 IonicContact NZ-OD2 3.8Å; K161-D361 PolarHBondContact NZ-OD2 3.36Å; K245-D361 IonicContact NZ-OD1 3.55Å; L357-D361 PolarHBondContact O-N 3.31Å; L358-D361 WeakPolarHBondContact O-CB 3.28Å; A359-D361 PolarHBondContact O-N 3.15Å
362A95.8Very high97.6Very high26 Ų2616 Ų1622%0.21510%0.101CC..SBendtrans-130.624.7-175.300000112.3A360 Y364A360-A362 PolarHBondContact O-N 2.99Å; A362-Y364 HydrophobicContact CB-CD2 4.06Å; A362-Y364 HydrophobicContact CB-CE2 3.72Å; A362-Y364 PolarHBondContact O-N 3.46Å
363G95.6Very high97.7Very high57 Ų5715.4 Ų15.459%0.58810%0.098SC*.  trans69.329.9179.100000114.5Q328Q328-G363 WeakPolarHBondContact CA-O 3.22Å
364Y97.7Very high97.6Very high18 Ų1816.6 Ų16.67%0.07110%0.103CC..PPolyproline II helixtrans-68.3143.3-178.3-72.8-67.2000113M313 W327 Q328 L357 A360 A362 L366M313-Y364 HydrophobicContact CE-CD1 3.78Å; M313-Y364 HydrophobicContact CE-CE1 3.18Å; M313-Y364 HydrophobicContact SD-CE1 4.39Å; W327-Y364 CarbonylContact O-C 3.45Å; W327-Y364 WeakPolarHBondContact O-CA 3.37Å; W327-Y364 WeakPolarHBondContact O-CD1 3.39Å; Q328-Y364 HydrophobicContact CG-CD1 3.53Å; Q328-Y364 HydrophobicContact CG-CE1 3.66Å; Q328-Y364 HydrophobicContact CG-CG 4.36Å; Q328-Y364 PolarHBondContact NE2-OH 3.21Å; L357-Y364 HydrophobicContact CB-CD2 4.19Å; L357-Y364 HydrophobicContact CB-CG 4.4Å; L357-Y364 HydrophobicContact CD2-CD1 4.18Å; L357-Y364 HydrophobicContact CD2-CD2 3.67Å; L357-Y364 HydrophobicContact CD2-CE2 4.11Å; L357-Y364 HydrophobicContact CD2-CG 3.72Å; L357-Y364 HydrophobicContact CG-CD2 4.48Å; L357-Y364 HydrophobicContact CG-CG 4.46Å; A360-Y364 HydrophobicContact CB-CD2 4.37Å; A360-Y364 HydrophobicContact CB-CE2 3.88Å; A362-Y364 HydrophobicContact CB-CD2 4.06Å; A362-Y364 HydrophobicContact CB-CE2 3.72Å; A362-Y364 PolarHBondContact O-N 3.46Å; Y364-L366 PolarHBondContact O-N 3.09Å
365T98.2Very high97.4Very high11 Ų1120.5 Ų20.57%0.06712%0.118CC..PPolyproline II helixtrans-62.9122166.1-580000109.4W326 W327 P329 I335 L337W326-T365 PolarHBondContact O-OG1 3.07Å; W327-T365 PolarHBondContact O-N 3.43Å; P329-T365 WeakPolarHBondContact CD-OG1 3.46Å; I335-T365 HydrophobicContact CB-CG2 4.02Å; I335-T365 HydrophobicContact CG2-CG2 3.9Å; L337-T365 HydrophobicContact CB-CG2 3.94Å; L337-T365 HydrophobicContact CD2-CG2 4.46Å
366L98.1Very high97.4Very high34 Ų3420.9 Ų20.918%0.17812%0.12CC..PPolyproline II helixtrans-100155.5174.3-61.7172.1000109.9F249 P354 L357 L358 Y364 K368F249-L366 HydrophobicContact CD2-CD1 3.78Å; F249-L366 HydrophobicContact CE2-CB 3.64Å; F249-L366 HydrophobicContact CE2-CD1 3.71Å; F249-L366 HydrophobicContact CE2-CG 4.26Å; F249-L366 HydrophobicContact CZ-CB 3.95Å; F249-L366 HydrophobicContact CZ-CD1 4.46Å; P354-L366 HydrophobicContact CB-CD2 4.5Å; L357-L366 HydrophobicContact CB-CD2 3.66Å; L357-L366 HydrophobicContact CD1-CD2 3.84Å; L357-L366 HydrophobicContact CG-CD2 4.4Å; L358-L366 HydrophobicContact CD2-CD1 3.6Å; L358-L366 HydrophobicContact CG-CD1 4.07Å; L358-L366 HydrophobicContact CG-CD2 4.36Å; Y364-L366 PolarHBondContact O-N 3.09Å; L366-K368 PolarHBondContact O-N 3.45Å
367V98.4Very high97.3Very high3 Ų322.6 Ų22.62%0.01813%0.129CC..PPolyproline II helixtrans-55.6128.9174.659.50000110.8F249 R253 W261 L337 Q339 H369 L370F249-V367 HydrophobicContact CE1-CG1 4.39Å; F249-V367 HydrophobicContact CZ-CG1 3.9Å; R253-V367 PolarHBondContact NE-O 2.93Å; R253-V367 VanDerWaalsContact NE-O 3.09Å; W261-V367 HydrophobicContact CZ2-CG1 4.02Å; L337-V367 HydrophobicContact CD2-CB 4.21Å; Q339-V367 HydrophobicContact CB-CG2 4.24Å; Q339-V367 HydrophobicContact CG-CB 4.2Å; Q339-V367 HydrophobicContact CG-CG2 3.76Å; V367-H369 VanDerWaalsContact CG2-O 3.26Å; V367-H369 WeakPolarHBondContact CG2-O 3.09Å; V367-L370 HydrophobicContact CG2-CB 4.08Å; V367-L370 HydrophobicContact CG2-CD1 4.28Å
368K98.3Very high97.3Very high29 Ų2922.6 Ų22.613%0.12613%0.129CC..SBendtrans-97.1-44.9172.7-170.5176.4-178.6174.30109.6W261 E334 E336 L337 L366W261-K368 PolarHBondContact NE1-O 2.97Å; E334-K368 IonicContact OE1-NZ 3.37Å; E334-K368 PolarHBondContact OE1-NZ 3.05Å; E336-K368 HydrophobicContact CB-CD 4.11Å; E336-K368 HydrophobicContact CG-CD 3.89Å; L337-K368 PolarHBondContact O-N 2.72Å; L366-K368 PolarHBondContact O-N 3.45Å
369H98.6Very high97.1Very high6 Ų624.6 Ų24.63%0.02814%0.138CC..EExtended strand (participates in β ladder)trans-119.9118.4179.8-49.9-95.9000110.2S258 V260 E336 L337 F338 Q339 V367 L371S258-H369 PolarHBondContact O-CE1 3.38Å; V260-H369 HydrophobicContact CB-CB 4.31Å; V260-H369 WeakPolarHBondContact CB-ND1 3.35Å; V260-H369 PolarHBondContact N-ND1 3.23Å; V260-H369 CarbonylContact O-C 3.57Å; V260-H369 WeakPolarHBondContact O-CA 3.49Å; V260-H369 WeakPolarHBondContact O-CB 3.27Å; E336-H369 IonicContact OE2-NE2 3.4Å; L337-H369 PolarHBondContact O-N 3.18Å; F338-H369 WeakPolarHBondContact CA-O 3.48Å; F338-H369 HydrophobicContact CB-CB 4.48Å; F338-H369 HydrophobicContact CD1-CB 3.44Å; F338-H369 VanDerWaalsContact CD1-CB 3.44Å; F338-H369 AromaticContact CD1-CD2 3.89Å; F338-H369 AromaticContact CD1-CG 3.67Å; F338-H369 HydrophobicContact CD2-CB 4.44Å; F338-H369 AromaticContact CD2-CD2 3.6Å; F338-H369 HydrophobicContact CE1-CB 3.65Å; F338-H369 AromaticContact CE1-CD2 3.54Å; F338-H369 AromaticContact CE1-CG 3.36Å; F338-H369 AromaticContact CE1-ND1 3.72Å; F338-H369 AromaticContact CE2-CD2 3.21Å; F338-H369 WeakPolarHBondContact CE2-CD2 3.49Å; F338-H369 AromaticContact CE2-CG 3.95Å; F338-H369 AromaticContact CE2-NE2 3.56Å; F338-H369 HydrophobicContact CG-CB 3.87Å; F338-H369 AromaticContact CG-CD2 3.92Å; F338-H369 HydrophobicContact CZ-CB 4.25Å; F338-H369 AromaticContact CZ-CD2 3.17Å; F338-H369 WeakPolarHBondContact CZ-CD2 3.47Å; F338-H369 AromaticContact CZ-CE1 3.7Å; F338-H369 AromaticContact CZ-CG 3.51Å; F338-H369 AromaticContact CZ-ND1 3.8Å; F338-H369 AromaticContact CZ-NE2 3.35Å; F338-H369 WeakPolarHBondContact CZ-NE2 3.49Å; Q339-H369 PolarHBondContact N-O 3.4Å; V367-H369 VanDerWaalsContact CG2-O 3.26Å; V367-H369 WeakPolarHBondContact CG2-O 3.09Å; H369-L371 HydrophobicContact CB-CD2 3.82Å
370L98.4Very high96.8Very high0 Ų031.9 Ų31.90%018%0.176CC..EExtended strand (participates in β ladder)trans-109.9107.1178.8-171.863.3000111V260 W261 T262 A265 Q339 M341 V346 H349 A350 V367V260-L370 PolarHBondContact O-N 3.43Å; W261-L370 WeakPolarHBondContact CA-O 3.37Å; W261-L370 HydrophobicContact CD2-CB 3.65Å; W261-L370 HydrophobicContact CD2-CD2 4.34Å; W261-L370 HydrophobicContact CE3-CB 4.11Å; W261-L370 HydrophobicContact CE3-CD2 3.95Å; W261-L370 HydrophobicContact CG-CB 3.95Å; W261-L370 HydrophobicContact CH2-CD2 3.93Å; W261-L370 HydrophobicContact CZ2-CB 4.09Å; W261-L370 HydrophobicContact CZ2-CD2 4.31Å; W261-L370 HydrophobicContact CZ3-CD2 3.73Å; T262-L370 PolarHBondContact N-O 2.95Å; T262-L370 VanDerWaalsContact N-O 3.16Å; A265-L370 HydrophobicContact CB-CD2 4.11Å; A265-L370 HydrophobicContact CB-CG 4.19Å; Q339-L370 HydrophobicContact CB-CD1 4.08Å; M341-L370 HydrophobicContact CE-CD1 3.36Å; M341-L370 HydrophobicContact SD-CD1 3.82Å; V346-L370 HydrophobicContact CG1-CD2 4.29Å; H349-L370 HydrophobicContact CB-CD1 3.76Å; A350-L370 HydrophobicContact CB-CD2 3.75Å; V367-L370 HydrophobicContact CG2-CB 4.08Å; V367-L370 HydrophobicContact CG2-CD1 4.28Å
371L98.5Very high96.6Very high2 Ų234.3 Ų34.31%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-109.698.9-166.9-64.3-117.7000109.5V260 Q339 F340 M341 H369 C489V260-L371 HydrophobicContact CB-CD2 4.27Å; V260-L371 HydrophobicContact CG1-CD2 4.01Å; V260-L371 WeakPolarHBondContact O-CD2 3.24Å; Q339-L371 WeakPolarHBondContact O-CB 3.34Å; Q339-L371 PolarHBondContact O-N 2.92Å; F340-L371 WeakPolarHBondContact CA-O 3.27Å; F340-L371 HydrophobicContact CD1-CB 3.93Å; F340-L371 HydrophobicContact CD1-CD1 4.42Å; F340-L371 HydrophobicContact CD1-CG 4.42Å; F340-L371 HydrophobicContact CE1-CB 4.13Å; F340-L371 HydrophobicContact CE1-CD1 3.78Å; F340-L371 HydrophobicContact CE1-CG 4.15Å; F340-L371 HydrophobicContact CG-CB 4.26Å; F340-L371 HydrophobicContact CZ-CD1 3.97Å; F340-L371 HydrophobicContact CZ-CG 4.22Å; M341-L371 PolarHBondContact N-O 2.95Å; H369-L371 HydrophobicContact CB-CD2 3.82Å; L371-C489 HydrophobicContact CD1-CB 3.07Å; L371-C489 WeakPolarHBondContact CD1-SG 3.45Å
372S96.9Very high96.3Very high1 Ų136 Ų361%0.00719%0.194CC..EExtended strand (participates in β ladder)trans-108.3128.7-179.4172.70000111.8T262 N264 M341 K343 V346T262-S372 WeakPolarHBondContact OG1-CB 3.49Å; T262-S372 PolarHBondContact OG1-N 3.34Å; T262-S372 PolarHBondContact OG1-O 3.43Å; N264-S372 PolarHBondContact ND2-O 3.26Å; N264-S372 PolarHBondContact ND2-OG 2.61Å; N264-S372 WeakPolarHBondContact OD1-CB 3.43Å; N264-S372 PolarHBondContact OD1-O 2.9Å; N264-S372 VanDerWaalsContact OD1-O 3.08Å; M341-S372 CarbonylContact O-C 3.57Å; M341-S372 VanDerWaalsContact O-CA 3.25Å; M341-S372 WeakPolarHBondContact O-CA 3.42Å; K343-S372 WeakPolarHBondContact CA-OG 3.47Å; K343-S372 PolarHBondContact N-OG 3.5Å; V346-S372 VanDerWaalsContact CG2-CB 3.5Å; V346-S372 WeakPolarHBondContact CG2-OG 3.25Å
373T97.8Very high96.2Very high2 Ų236 Ų361%0.01219%0.189CC..EExtended strand (participates in β ladder)trans-94.1155.4170.368.30000112.3G71 M341 K343 R414 P415G71-T373 WeakPolarHBondContact CA-OG1 3.49Å; M341-T373 PolarHBondContact O-N 2.75Å; K343-T373 PolarHBondContact N-O 3.5Å; K343-T373 VanDerWaalsContact N-O 3.13Å; T373-R414 VanDerWaalsContact CG2-NH2 3.28Å; T373-P415 WeakPolarHBondContact CB-O 3.49Å
374E96.2Very high95.8Very high29 Ų2934 Ų3414%0.13617%0.166CC..  trans-70.7-179.4160.4-63.8-57.3126.100110.6N264 K343 P415 Q418 D419N264-E374 WeakPolarHBondContact CB-OE1 3.39Å; N264-E374 PolarHBondContact ND2-OE1 3.25Å; K343-E374 WeakPolarHBondContact CD-OE2 3.42Å; K343-E374 WeakPolarHBondContact CE-OE2 3.33Å; K343-E374 IonicContact NZ-OE2 3.07Å; K343-E374 PolarHBondContact NZ-OE2 3.32Å; E374-P415 HydrophobicContact CB-CB 4.05Å; E374-P415 PolarHBondContact N-O 3.08Å; E374-P415 WeakPolarHBondContact O-CG 3.4Å; E374-Q418 VanDerWaalsContact CB-C 3.47Å; E374-D419 WeakPolarHBondContact CB-OD1 3.33Å
375Y94.4Very high95.1Very high83 Ų8337.9 Ų37.933%0.32518%0.183SC..PPolyproline II helixtrans-85.9142.2-177.9-65.2-51.5000112A342 K343 D419 S420A342-Y375 HydrophobicContact CB-CE1 4.36Å; K343-Y375 HydrophobicContact CD-CE2 4.29Å; K343-Y375 HydrophobicContact CG-CE1 4.38Å; K343-Y375 HydrophobicContact CG-CE2 4.31Å; Y375-D419 PolarHBondContact N-OD1 3.36Å; Y375-D419 CarbonylContact O-C 3.59Å; Y375-D419 VanDerWaalsContact O-CA 3.23Å; Y375-D419 WeakPolarHBondContact O-CA 3.07Å; Y375-S420 PolarHBondContact O-N 3.03Å
376M97.5Very high94.3Very high8 Ų843 Ų434%0.03922%0.219CC..EExtended strand (participates in β ladder)trans-92.2118.2161.4-179.4175-75.800108.6I70 F383 L410 R413 P415 F422I70-M376 HydrophobicContact CB-CE 4.37Å; I70-M376 HydrophobicContact CG1-CE 4.13Å; I70-M376 HydrophobicContact CG2-CB 3.99Å; I70-M376 HydrophobicContact CG2-CE 3.81Å; I70-M376 HydrophobicContact CG2-SD 3.85Å; M376-F383 HydrophobicContact CG-CE2 4.5Å; M376-F383 VanDerWaalsContact O-CE2 3.25Å; M376-F383 WeakPolarHBondContact O-CE2 3.32Å; M376-L410 HydrophobicContact CE-CD2 3.85Å; M376-L410 HydrophobicContact SD-CD2 3.45Å; M376-L410 WeakPolarHBondContact SD-CD2 3.45Å; M376-R413 HydrophobicContact CE-CB 4.21Å; M376-P415 HydrophobicContact CB-CG 4.23Å; M376-F422 HydrophobicContact SD-CB 4.31Å
377N96.7Very high93.5Very high37 Ų3748.7 Ų48.720%0.19824%0.238CC..EExtended strand (participates in β ladder)trans-83168.2170.7-65.6-53.7000110.6T381 S420 A421 F422N377-T381 WeakPolarHBondContact CB-O 3.31Å; N377-S420 WeakPolarHBondContact CB-O 3.21Å; N377-S420 PolarHBondContact N-O 3.21Å; N377-A421 HydrophobicContact CB-CB 4.31Å; N377-A421 WeakPolarHBondContact O-CA 3.09Å; N377-F422 PolarHBondContact O-N 3.26Å
378Y96.5Very high92.9Very high5 Ų550.2 Ų50.22%0.0226%0.255CS..EExtended strand (participates in β ladder)trans-115.7114.7174.2-179.9-99.8000109N380 T381 F383 I389 V391 F422 W424 Y612Y378-N380 PolarHBondContact O-N 2.63Å; Y378-T381 CarbonylContact C-O 3.51Å; Y378-T381 PolarHBondContact N-O 3.34Å; Y378-T381 CarbonylContact O-C 3.51Å; Y378-T381 WeakPolarHBondContact O-CG2 3.34Å; Y378-T381 PolarHBondContact O-N 2.89Å; Y378-F383 HydrophobicContact CD2-CE1 4Å; Y378-F383 HydrophobicContact CD2-CZ 4.19Å; Y378-F383 HydrophobicContact CG-CE1 4.27Å; Y378-F383 HydrophobicContact CG-CZ 4.46Å; Y378-I389 HydrophobicContact CD1-CG2 3.84Å; Y378-I389 HydrophobicContact CE1-CG2 4.29Å; Y378-V391 HydrophobicContact CE2-CG2 4.03Å; Y378-F422 HydrophobicContact CD2-CB 4.31Å; Y378-F422 AromaticContact CD2-CD1 3.85Å; Y378-F422 HydrophobicContact CD2-CD1 3.85Å; Y378-F422 HydrophobicContact CD2-CG 4.37Å; Y378-F422 AromaticContact CE2-CD1 3.7Å; Y378-F422 HydrophobicContact CE2-CD1 3.7Å; Y378-F422 HydrophobicContact CE2-CE1 4.16Å; Y378-W424 AromaticContact CE2-NE1 3.87Å; Y378-W424 AromaticContact CZ-NE1 3.71Å; Y378-W424 PolarHBondContact OH-NE1 3.01Å; Y378-Y612 WeakPolarHBondContact CE1-O 3.47Å; Y378-Y612 VanDerWaalsContact OH-CB 3.31Å; Y378-Y612 WeakPolarHBondContact OH-CB 3.1Å; Y378-Y612 PolarHBondContact OH-O 3.08Å
379E95Very high92.7Very high64 Ų6450.2 Ų50.230%0.29926%0.256SS..THydrogen-bonded Turntrans51.1-122.7-170.8-62.4-67.7172.400110.4A421 F422 W424E379-A421 WeakPolarHBondContact O-CB 3.13Å; E379-F422 WeakPolarHBondContact CA-O 3.38Å; E379-F422 PolarHBondContact N-O 3.29Å; E379-W424 VanDerWaalsContact OE1-CD1 3.29Å; E379-W424 PolarHBondContact OE1-N 3.22Å
380N92.4Very high92.5Very high156 Ų15650 Ų5083%0.83426%0.255SS*.THydrogen-bonded Turntrans-94.31417863.9-11.9000113.6Y378Y378-N380 PolarHBondContact O-N 2.63Å
381T92.4Very high92.3Very high51 Ų5150 Ų5031%0.31326%0.255SS..BIsolated β-bridgetrans-145.5-175.4-173-166.30000113.1N377 Y378 I389N377-T381 WeakPolarHBondContact CB-O 3.31Å; Y378-T381 CarbonylContact C-O 3.51Å; Y378-T381 PolarHBondContact N-O 3.34Å; Y378-T381 CarbonylContact O-C 3.51Å; Y378-T381 WeakPolarHBondContact O-CG2 3.34Å; Y378-T381 PolarHBondContact O-N 2.89Å; T381-I389 HydrophobicContact CG2-CG2 3.55Å
382K90.1Very high92.2Very high134 Ų13450.3 Ų50.358%0.58326%0.257SS*.  trans-96149.5177-65.9-175.2177.9-176.10111.2S384K382-S384 PolarHBondContact O-N 3.35Å
383F92.4Very high92Very high26 Ų2650.3 Ų50.311%0.11426%0.256CS..  trans-53.1135.3167.7-68.3-89.3000110.7H65 L66 M376 Y378H65-F383 HydrophobicContact CB-CB 4.23Å; H65-F383 HydrophobicContact CB-CD1 3.58Å; H65-F383 HydrophobicContact CB-CE1 4.07Å; H65-F383 HydrophobicContact CB-CG 3.94Å; H65-F383 AromaticContact CE1-CD2 3.81Å; H65-F383 AromaticContact CE1-CG 3.99Å; H65-F383 AromaticContact CG-CD1 3.81Å; H65-F383 AromaticContact CG-CG 3.62Å; H65-F383 AromaticContact ND1-CD1 3.96Å; H65-F383 AromaticContact ND1-CD2 3.52Å; H65-F383 AromaticContact ND1-CE2 3.97Å; H65-F383 AromaticContact ND1-CG 3.53Å; L66-F383 HydrophobicContact CB-CE1 4.22Å; L66-F383 HydrophobicContact CB-CZ 3.99Å; M376-F383 HydrophobicContact CG-CE2 4.5Å; M376-F383 VanDerWaalsContact O-CE2 3.25Å; M376-F383 WeakPolarHBondContact O-CE2 3.32Å; Y378-F383 HydrophobicContact CD2-CE1 4Å; Y378-F383 HydrophobicContact CD2-CZ 4.19Å; Y378-F383 HydrophobicContact CG-CE1 4.27Å; Y378-F383 HydrophobicContact CG-CZ 4.46Å
384S88.1Confident91.8Very high15 Ų1551.6 Ų51.611%0.10526%0.263CS..BIsolated β-bridgetrans-152.4103.6-178.4-179.20000110.8K382 S386 R387 G388 I389K382-S384 PolarHBondContact O-N 3.35Å; S384-S386 VanDerWaalsContact C-N 3.34Å; S384-S386 PolarHBondContact O-N 2.95Å; S384-S386 PolarHBondContact OG-OG 3.41Å; S384-R387 PolarHBondContact O-N 3.3Å; S384-R387 PolarHBondContact OG-NE 3.18Å; S384-G388 PolarHBondContact O-N 3.05Å; S384-I389 PolarHBondContact N-O 3.39Å; S384-I389 PolarHBondContact O-N 3.49Å
385K82.3Confident91.7Very high100 Ų10051.5 Ų51.544%0.43526%0.264SS..G310 helixtrans-64.9-39.6179.1-164.668.4174.6-174.50111.6R387 G388 F392 D394 D395K385-R387 PolarHBondContact O-N 3.16Å; K385-G388 PolarHBondContact O-N 2.99Å; K385-G388 VanDerWaalsContact O-N 3.12Å; K385-F392 HydrophobicContact CB-CE1 3.91Å; K385-F392 HydrophobicContact CB-CE2 4.21Å; K385-F392 HydrophobicContact CB-CZ 3.56Å; K385-F392 HydrophobicContact CD-CD1 3.86Å; K385-F392 HydrophobicContact CD-CD2 3.74Å; K385-F392 HydrophobicContact CD-CE1 3.73Å; K385-F392 HydrophobicContact CD-CE2 3.63Å; K385-F392 HydrophobicContact CD-CG 3.88Å; K385-F392 HydrophobicContact CD-CZ 3.63Å; K385-F392 HydrophobicContact CG-CE1 4.28Å; K385-F392 HydrophobicContact CG-CZ 4.17Å; K385-D394 IonicContact NZ-OD1 2.78Å; K385-D394 IonicContact NZ-OD2 2.98Å; K385-D395 IonicContact NZ-OD2 2.68Å
386S80.8Confident91.7Very high117 Ų11747.6 Ų47.682%0.81825%0.248SC*.G310 helixtrans-63.3-27.1179.254.70000113.6S384S384-S386 VanDerWaalsContact C-N 3.34Å; S384-S386 PolarHBondContact O-N 2.95Å; S384-S386 PolarHBondContact OG-OG 3.41Å
387R81.8Confident91.6Very high154 Ų15450.5 Ų50.558%0.58126%0.263SS*.G310 helixtrans-101.72.1176-62.8-172.5-66.9-135.62.8113.6S384 K385 I389 G614S384-R387 PolarHBondContact O-N 3.3Å; S384-R387 PolarHBondContact OG-NE 3.18Å; K385-R387 PolarHBondContact O-N 3.16Å; R387-I389 HydrophobicContact CB-CD1 3.8Å; R387-I389 HydrophobicContact CB-CG1 3.89Å; R387-I389 PolarHBondContact O-N 3.15Å; R387-G614 VanDerWaalsContact O-CA 3.25Å; R387-G614 WeakPolarHBondContact O-CA 3.44Å
388G86.8Confident91.4Very high36 Ų3656 Ų5637%0.37129%0.285SS..THydrogen-bonded Turntrans60.229.3-175.300000113.9S384 K385 G614S384-G388 PolarHBondContact O-N 3.05Å; K385-G388 PolarHBondContact O-N 2.99Å; K385-G388 VanDerWaalsContact O-N 3.12Å; G388-G614 WeakPolarHBondContact O-CA 3.39Å; G388-G614 PolarHBondContact O-N 3.24Å; G388-G614 VanDerWaalsContact O-N 3.16Å
389I92.3Very high91.3Very high29 Ų2955.9 Ų55.915%0.14929%0.285CS..BIsolated β-bridgetrans-100.2121.7-178.4-60.6173.8000109.2Y378 T381 S384 R387Y378-I389 HydrophobicContact CD1-CG2 3.84Å; Y378-I389 HydrophobicContact CE1-CG2 4.29Å; T381-I389 HydrophobicContact CG2-CG2 3.55Å; S384-I389 PolarHBondContact N-O 3.39Å; S384-I389 PolarHBondContact O-N 3.49Å; R387-I389 HydrophobicContact CB-CD1 3.8Å; R387-I389 HydrophobicContact CB-CG1 3.89Å; R387-I389 PolarHBondContact O-N 3.15Å
390G94.3Very high91.1Very high1 Ų155.7 Ų55.71%0.0130%0.299CS..SBendtrans98.8163.1177.200000114Y612G390-Y612 PolarHBondContact N-O 3.24Å
391V95.6Very high91.3Very high0 Ų048.5 Ų48.50%026%0.261CS..  trans-88.5125.2179.5-178.80000109.8L66 Y378 D395 A396 W406 W424 Y612L66-V391 HydrophobicContact CD1-CB 3.77Å; L66-V391 HydrophobicContact CD1-CG1 4.02Å; L66-V391 HydrophobicContact CD1-CG2 4.46Å; L66-V391 HydrophobicContact CD2-CG1 4.12Å; L66-V391 HydrophobicContact CG-CB 3.97Å; L66-V391 HydrophobicContact CG-CG1 4.1Å; L66-V391 PolarHBondContact N-O 3.32Å; Y378-V391 HydrophobicContact CE2-CG2 4.03Å; V391-D395 HydrophobicContact CG1-CB 4.11Å; V391-A396 HydrophobicContact CG1-CB 4.07Å; V391-W406 HydrophobicContact CG1-CH2 4.04Å; V391-W406 HydrophobicContact CG1-CZ3 4.23Å; V391-W406 HydrophobicContact CG2-CH2 4.31Å; V391-W424 HydrophobicContact CG2-CZ2 3.69Å; V391-Y612 HydrophobicContact CG2-CD2 3.68Å; V391-Y612 HydrophobicContact CG2-CE2 4.18Å; V391-Y612 HydrophobicContact CG2-CG 3.86Å
392F95.1Very high91.5Very high9 Ų950.1 Ų50.14%0.03927%0.267CS..BIsolated β-bridgetrans-96.9165.8170.4-68.6-103.6000111.6V63 H65 K385 D394 D395 A396V63-F392 HydrophobicContact CB-CD1 4.17Å; V63-F392 HydrophobicContact CG1-CB 4.14Å; V63-F392 HydrophobicContact CG1-CD1 4.36Å; V63-F392 VanDerWaalsContact O-CD1 3.29Å; V63-F392 WeakPolarHBondContact O-CD1 3.48Å; H65-F392 HydrophobicContact CB-CD1 3.77Å; H65-F392 HydrophobicContact CB-CE1 3.75Å; H65-F392 HydrophobicContact CB-CG 4.22Å; H65-F392 HydrophobicContact CB-CZ 4.16Å; K385-F392 HydrophobicContact CB-CE1 3.91Å; K385-F392 HydrophobicContact CB-CE2 4.21Å; K385-F392 HydrophobicContact CB-CZ 3.56Å; K385-F392 HydrophobicContact CD-CD1 3.86Å; K385-F392 HydrophobicContact CD-CD2 3.74Å; K385-F392 HydrophobicContact CD-CE1 3.73Å; K385-F392 HydrophobicContact CD-CE2 3.63Å; K385-F392 HydrophobicContact CD-CG 3.88Å; K385-F392 HydrophobicContact CD-CZ 3.63Å; K385-F392 HydrophobicContact CG-CE1 4.28Å; K385-F392 HydrophobicContact CG-CZ 4.17Å; F392-D394 VanDerWaalsContact C-N 3.26Å; F392-D394 WeakPolarHBondContact CB-OD1 3.28Å; F392-D394 PolarHBondContact O-N 2.94Å; F392-D395 VanDerWaalsContact CB-OD2 3.31Å; F392-D395 WeakPolarHBondContact CB-OD2 3.16Å; F392-D395 PolarHBondContact N-OD2 3.07Å; F392-D395 VanDerWaalsContact O-CB 3.32Å; F392-D395 WeakPolarHBondContact O-CB 3.34Å; F392-D395 PolarHBondContact O-N 3.22Å; F392-A396 PolarHBondContact O-N 3.22Å
393G94Very high91.9Very high0 Ų044.3 Ų44.30%024%0.244CC..Hα-helixtrans-58.3-39.2-177.800000113.1P64 D395 A396 M397P64-G393 PolarHBondContact O-N 3.17Å; G393-D395 VanDerWaalsContact C-N 3.32Å; G393-D395 PolarHBondContact O-N 2.83Å; G393-A396 PolarHBondContact O-N 3Å; G393-M397 WeakPolarHBondContact O-CG 3.47Å; G393-M397 PolarHBondContact O-N 2.94Å
394D93.7Very high92.2Very high29 Ų2943.1 Ų43.116%0.15524%0.238CC..Hα-helixtrans-71.2-25.3176.263.3-36000113.6V63 I128 K385 F392 K398V63-D394 HydrophobicContact CG1-CB 4.41Å; V63-D394 WeakPolarHBondContact CG1-OD1 3.49Å; I128-D394 HydrophobicContact CD1-CB 4.33Å; K385-D394 IonicContact NZ-OD1 2.78Å; K385-D394 IonicContact NZ-OD2 2.98Å; F392-D394 VanDerWaalsContact C-N 3.26Å; F392-D394 WeakPolarHBondContact CB-OD1 3.28Å; F392-D394 PolarHBondContact O-N 2.94Å; D394-K398 WeakPolarHBondContact O-CD 3.43Å; D394-K398 WeakPolarHBondContact O-CE 3.47Å; D394-K398 WeakPolarHBondContact O-CG 3.46Å
395D93.3Very high92.6Very high28 Ų2842.9 Ų42.915%0.1524%0.236CC..Hα-helixtrans-74-45.3173.8-65.3-36.9000111K385 V391 F392 G393 M397 K398 S399 Y612K385-D395 IonicContact NZ-OD2 2.68Å; V391-D395 HydrophobicContact CG1-CB 4.11Å; F392-D395 VanDerWaalsContact CB-OD2 3.31Å; F392-D395 WeakPolarHBondContact CB-OD2 3.16Å; F392-D395 PolarHBondContact N-OD2 3.07Å; F392-D395 VanDerWaalsContact O-CB 3.32Å; F392-D395 WeakPolarHBondContact O-CB 3.34Å; F392-D395 PolarHBondContact O-N 3.22Å; G393-D395 VanDerWaalsContact C-N 3.32Å; G393-D395 PolarHBondContact O-N 2.83Å; D395-M397 VanDerWaalsContact C-N 3.26Å; D395-M397 PolarHBondContact O-N 3.19Å; D395-K398 PolarHBondContact O-N 3Å; D395-S399 PolarHBondContact O-N 2.92Å; D395-Y612 HydrophobicContact CB-CD1 4.25Å; D395-Y612 HydrophobicContact CB-CE1 3.4Å; D395-Y612 VanDerWaalsContact CB-CE1 3.4Å; D395-Y612 PolarHBondContact O-OH 3.42Å
396A94.8Very high93.4Very high0 Ų038.2 Ų38.20%022%0.216CC..Hα-helixtrans-57.7-39.9178.300000111.8W131 F132 V391 F392 G393 K398 S399 W406W131-A396 HydrophobicContact CH2-CB 4.27Å; W131-A396 VanDerWaalsContact CH2-O 3.23Å; W131-A396 WeakPolarHBondContact CH2-O 3.34Å; W131-A396 HydrophobicContact CZ3-CB 3.87Å; F132-A396 HydrophobicContact CE2-CB 3.79Å; F132-A396 HydrophobicContact CZ-CB 3.59Å; V391-A396 HydrophobicContact CG1-CB 4.07Å; F392-A396 PolarHBondContact O-N 3.22Å; G393-A396 PolarHBondContact O-N 3Å; A396-K398 PolarHBondContact O-N 3.01Å; A396-K398 VanDerWaalsContact O-N 3.16Å; A396-S399 WeakPolarHBondContact O-CB 3.31Å; A396-S399 PolarHBondContact O-N 3.44Å; A396-S399 VanDerWaalsContact O-N 3.12Å; A396-S399 PolarHBondContact O-OG 3.13Å; A396-W406 HydrophobicContact CB-CD2 4.37Å; A396-W406 HydrophobicContact CB-CZ2 4.36Å
397M94.8Very high94.3Very high69 Ų6932.6 Ų32.634%0.3418%0.177SC..THydrogen-bonded Turntrans-56.3-30.2175.5-67.9172.170.800113.7I128 W131 G393 D395I128-M397 HydrophobicContact CG1-SD 3.93Å; W131-M397 HydrophobicContact CB-CE 4.12Å; W131-M397 HydrophobicContact CB-CG 3.92Å; W131-M397 HydrophobicContact CB-SD 4.25Å; W131-M397 HydrophobicContact CD2-CB 4.19Å; W131-M397 HydrophobicContact CD2-CG 3.52Å; W131-M397 HydrophobicContact CE3-CG 3.75Å; W131-M397 HydrophobicContact CG-CB 4.41Å; W131-M397 HydrophobicContact CG-CE 4.3Å; W131-M397 HydrophobicContact CG-CG 3.58Å; W131-M397 HydrophobicContact CG-SD 4.48Å; W131-M397 HydrophobicContact CZ3-CG 4.47Å; G393-M397 WeakPolarHBondContact O-CG 3.47Å; G393-M397 PolarHBondContact O-N 2.94Å; D395-M397 VanDerWaalsContact C-N 3.26Å; D395-M397 PolarHBondContact O-N 3.19Å
398K93.4Very high95.1Very high154 Ų15425.4 Ų25.467%0.6715%0.15SC*.THydrogen-bonded Turntrans-98.4-2.3-175.8-61.5168.5-169.41620112.9D394 D395 A396 G400D394-K398 WeakPolarHBondContact O-CD 3.43Å; D394-K398 WeakPolarHBondContact O-CE 3.47Å; D394-K398 WeakPolarHBondContact O-CG 3.46Å; D395-K398 PolarHBondContact O-N 3Å; A396-K398 PolarHBondContact O-N 3.01Å; A396-K398 VanDerWaalsContact O-N 3.16Å; K398-G400 VanDerWaalsContact C-N 3.32Å; K398-G400 PolarHBondContact O-N 3.19Å
399S93.1Very high95.6Very high2 Ų223.8 Ų23.81%0.01413%0.132CC..SBendtrans-68.6-27.7-172.564.60000114.2D395 A396 V401 W406 R607D395-S399 PolarHBondContact O-N 2.92Å; A396-S399 WeakPolarHBondContact O-CB 3.31Å; A396-S399 PolarHBondContact O-N 3.44Å; A396-S399 VanDerWaalsContact O-N 3.12Å; A396-S399 PolarHBondContact O-OG 3.13Å; S399-V401 VanDerWaalsContact C-N 3.28Å; S399-V401 PolarHBondContact OG-N 3.21Å; S399-V401 VanDerWaalsContact OG-N 3.12Å; S399-W406 PolarHBondContact OG-NE1 3.31Å; S399-R607 PolarHBondContact O-NH2 2.84Å
400G92.4Very high95.9Very high59 Ų5922.4 Ų22.461%0.60813%0.125SC*.SBendtrans83.80.1-16800000113.8K398 R598K398-G400 VanDerWaalsContact C-N 3.32Å; K398-G400 PolarHBondContact O-N 3.19Å; G400-R598 PolarHBondContact O-NH2 2.77Å
401V95.5Very high96.2Very high5 Ų522.3 Ų22.33%0.0313%0.125CC..SBendtrans-95.1131.3172.7-179.60000108.9S399 V405 W406 F427 L608S399-V401 VanDerWaalsContact C-N 3.28Å; S399-V401 PolarHBondContact OG-N 3.21Å; S399-V401 VanDerWaalsContact OG-N 3.12Å; V401-V405 HydrophobicContact CG1-CB 3.77Å; V401-V405 HydrophobicContact CG1-CG1 3.91Å; V401-V405 HydrophobicContact CG1-CG2 4.43Å; V401-W406 HydrophobicContact CB-CZ2 4.43Å; V401-W406 PolarHBondContact O-NE1 3.12Å; V401-F427 HydrophobicContact CG1-CE1 4.32Å; V401-F427 HydrophobicContact CG1-CZ 3.99Å; V401-L608 HydrophobicContact CG2-CD1 4.23Å
402I96.6Very high96.3Very high85 Ų8524 Ų2444%0.43613%0.131SC..  trans-63.8146.9-179.466.6173.8000110.9D404 V405 I552I402-D404 HydrophobicContact CD1-CB 4.45Å; I402-D404 PolarHBondContact O-N 3.47Å; I402-D404 VanDerWaalsContact O-N 3.16Å; I402-V405 HydrophobicContact CD1-CG2 4.09Å; I402-V405 HydrophobicContact CG1-CB 4.33Å; I402-V405 HydrophobicContact CG1-CG2 3.63Å; I402-V405 PolarHBondContact O-N 2.83Å; I402-V405 VanDerWaalsContact O-N 3.15Å; I402-I552 HydrophobicContact CD1-CD1 4.43Å
403S97.9Very high96.4Very high13 Ų1327 Ų279%0.09114%0.142CC..Hα-helixtrans-54.6-36.6-176.758.90000113.5W131 Q133 V405 W406 R407W131-S403 WeakPolarHBondContact O-CB 3.47Å; W131-S403 PolarHBondContact O-OG 3.4Å; Q133-S403 PolarHBondContact NE2-OG 3.11Å; S403-V405 VanDerWaalsContact C-N 3.3Å; S403-V405 PolarHBondContact O-N 3.4Å; S403-W406 WeakPolarHBondContact O-CB 3.37Å; S403-W406 PolarHBondContact O-N 2.85Å; S403-W406 VanDerWaalsContact O-N 3.12Å; S403-R407 WeakPolarHBondContact O-CG 3.48Å; S403-R407 PolarHBondContact O-N 2.81Å
404D98.7Very high96.6Very high1 Ų127.3 Ų27.31%0.00514%0.144CC..Hα-helixtrans-64.2-34.3-177-8414.9000112.5Q133 I402 W406 R407 F408 M549 P550 T551 I552Q133-D404 PolarHBondContact NE2-OD1 3.34Å; I402-D404 HydrophobicContact CD1-CB 4.45Å; I402-D404 PolarHBondContact O-N 3.47Å; I402-D404 VanDerWaalsContact O-N 3.16Å; D404-W406 VanDerWaalsContact C-N 3.32Å; D404-R407 PolarHBondContact O-N 3.03Å; D404-F408 VanDerWaalsContact O-CB 3.3Å; D404-F408 WeakPolarHBondContact O-CB 3.46Å; D404-F408 PolarHBondContact O-N 3.19Å; D404-M549 HydrophobicContact CB-CB 3.87Å; D404-M549 HydrophobicContact CB-CE 3.83Å; D404-M549 HydrophobicContact CB-CG 4.16Å; D404-M549 WeakPolarHBondContact O-CE 3.35Å; D404-M549 VanDerWaalsContact OD2-CA 3.32Å; D404-M549 WeakPolarHBondContact OD2-CA 3.48Å; D404-M549 WeakPolarHBondContact OD2-CB 3.47Å; D404-P550 WeakPolarHBondContact OD1-CD 3.38Å; D404-T551 WeakPolarHBondContact OD2-CA 3.26Å; D404-T551 VanDerWaalsContact OD2-CB 3.3Å; D404-T551 WeakPolarHBondContact OD2-CB 3.43Å; D404-T551 PolarHBondContact OD2-N 2.76Å; D404-I552 HydrophobicContact CB-CG1 4.1Å; D404-I552 WeakPolarHBondContact OD2-CG1 3.46Å; D404-I552 PolarHBondContact OD2-N 2.79Å
405V98.4Very high96.8Very high10 Ų1026 Ų266%0.06114%0.136CC..Hα-helixtrans-67.3-38.1176178.30000110.2V401 I402 S403 Y409 F427 L435 I600V401-V405 HydrophobicContact CG1-CB 3.77Å; V401-V405 HydrophobicContact CG1-CG1 3.91Å; V401-V405 HydrophobicContact CG1-CG2 4.43Å; I402-V405 HydrophobicContact CD1-CG2 4.09Å; I402-V405 HydrophobicContact CG1-CB 4.33Å; I402-V405 HydrophobicContact CG1-CG2 3.63Å; I402-V405 PolarHBondContact O-N 2.83Å; I402-V405 VanDerWaalsContact O-N 3.15Å; S403-V405 VanDerWaalsContact C-N 3.3Å; S403-V405 PolarHBondContact O-N 3.4Å; V405-Y409 PolarHBondContact O-N 3.32Å; V405-Y409 VanDerWaalsContact O-N 3.1Å; V405-F427 HydrophobicContact CG1-CE1 4.24Å; V405-F427 HydrophobicContact CG1-CE2 4Å; V405-F427 HydrophobicContact CG1-CZ 3.55Å; V405-L435 HydrophobicContact CG1-CD1 4.41Å; V405-L435 HydrophobicContact CG2-CD1 4.28Å; V405-I600 HydrophobicContact CG1-CD1 4.26Å
406W98.4Very high96.9Very high1 Ų125.8 Ų25.80%0.00414%0.135CC..Hα-helixtrans-63-50.5171.9-66102.2000111.8L66 W131 F132 V391 A396 S399 V401 S403 D404 F408 Y409 L410 F422 W424 F427L66-W406 HydrophobicContact CD1-CE3 3.98Å; L66-W406 HydrophobicContact CD1-CZ3 3.74Å; W131-W406 AromaticContact CH2-CD1 3.68Å; W131-W406 AromaticContact CH2-NE1 3.86Å; F132-W406 HydrophobicContact CE1-CB 3.7Å; F132-W406 HydrophobicContact CE1-CG 4.37Å; F132-W406 HydrophobicContact CZ-CB 4.33Å; V391-W406 HydrophobicContact CG1-CH2 4.04Å; V391-W406 HydrophobicContact CG1-CZ3 4.23Å; V391-W406 HydrophobicContact CG2-CH2 4.31Å; A396-W406 HydrophobicContact CB-CD2 4.37Å; A396-W406 HydrophobicContact CB-CZ2 4.36Å; S399-W406 PolarHBondContact OG-NE1 3.31Å; V401-W406 HydrophobicContact CB-CZ2 4.43Å; V401-W406 PolarHBondContact O-NE1 3.12Å; S403-W406 WeakPolarHBondContact O-CB 3.37Å; S403-W406 PolarHBondContact O-N 2.85Å; S403-W406 VanDerWaalsContact O-N 3.12Å; D404-W406 VanDerWaalsContact C-N 3.32Å; W406-F408 VanDerWaalsContact C-N 3.32Å; W406-F408 PolarHBondContact O-N 3.01Å; W406-Y409 PolarHBondContact O-N 3.21Å; W406-L410 WeakPolarHBondContact O-CB 3.39Å; W406-L410 WeakPolarHBondContact O-CG 3.39Å; W406-L410 PolarHBondContact O-N 3.34Å; W406-F422 HydrophobicContact CE3-CE2 4.04Å; W406-F422 HydrophobicContact CE3-CZ 4.38Å; W406-F422 HydrophobicContact CH2-CZ 4.29Å; W406-F422 AromaticContact CZ3-CE2 3.59Å; W406-F422 HydrophobicContact CZ3-CE2 3.59Å; W406-F422 AromaticContact CZ3-CZ 3.54Å; W406-F422 HydrophobicContact CZ3-CZ 3.54Å; W406-W424 AromaticContact CH2-CH2 3.44Å; W406-W424 HydrophobicContact CH2-CH2 3.44Å; W406-W424 VanDerWaalsContact CH2-CH2 3.44Å; W406-W424 HydrophobicContact CH2-CZ2 4.12Å; W406-W424 HydrophobicContact CH2-CZ3 4.1Å; W406-W424 HydrophobicContact CZ2-CH2 4.17Å; W406-W424 HydrophobicContact CZ3-CH2 4.29Å; W406-F427 HydrophobicContact CD2-CE2 4.4Å; W406-F427 HydrophobicContact CD2-CZ 4.25Å; W406-F427 HydrophobicContact CE3-CE2 4.06Å; W406-F427 HydrophobicContact CE3-CZ 4.24Å; W406-F427 HydrophobicContact CZ3-CE2 4.44Å
407R98.7Very high96.7Very high0 Ų029 Ų290%016%0.157CC..Hα-helixtrans-55.1-49.7177.9-66.8175.966.496.4-4.2111L74 N77 F132 Q133 S403 D404 Y409 L410 L411 P547 F548L74-R407 HydrophobicContact CD1-CB 4.33Å; L74-R407 HydrophobicContact CD1-CG 3.93Å; L74-R407 VanDerWaalsContact CD1-NH1 3.34Å; N77-R407 PolarHBondContact OD1-NH1 2.87Å; N77-R407 VanDerWaalsContact OD1-NH1 3.11Å; N77-R407 PolarHBondContact OD1-NH2 2.78Å; F132-R407 HydrophobicContact CD1-CG 4.37Å; F132-R407 VanDerWaalsContact O-CD 3.28Å; F132-R407 WeakPolarHBondContact O-CD 3.43Å; F132-R407 PolarHBondContact O-NH1 3.03Å; Q133-R407 PolarHBondContact O-NH1 2.97Å; S403-R407 WeakPolarHBondContact O-CG 3.48Å; S403-R407 PolarHBondContact O-N 2.81Å; D404-R407 PolarHBondContact O-N 3.03Å; R407-Y409 PolarHBondContact O-N 2.85Å; R407-L410 PolarHBondContact O-N 3.42Å; R407-L411 HydrophobicContact CB-CD1 4.47Å; R407-L411 WeakPolarHBondContact O-CB 3.25Å; R407-L411 WeakPolarHBondContact O-CD1 3.43Å; R407-L411 VanDerWaalsContact O-CG 3.3Å; R407-L411 WeakPolarHBondContact O-CG 3.45Å; R407-L411 PolarHBondContact O-N 3.13Å; R407-P547 PolarHBondContact NH2-O 3.2Å; R407-F548 VanDerWaalsContact CB-O 3.23Å; R407-F548 WeakPolarHBondContact CB-O 3.23Å; R407-F548 WeakPolarHBondContact CD-O 3.19Å; R407-F548 PolarHBondContact NE-O 2.88Å
408F98.8Very high96.7Very high2 Ų232.2 Ų32.21%0.00917%0.171CC..Hα-helixtrans-54.9-54.7179.5174.4-100.7000111.7D404 W406 L410 L411 Y412 V430 E434 L435 I495 L499 M549D404-F408 VanDerWaalsContact O-CB 3.3Å; D404-F408 WeakPolarHBondContact O-CB 3.46Å; D404-F408 PolarHBondContact O-N 3.19Å; W406-F408 VanDerWaalsContact C-N 3.32Å; W406-F408 PolarHBondContact O-N 3.01Å; F408-L410 PolarHBondContact O-N 2.97Å; F408-L411 PolarHBondContact O-N 3.43Å; F408-Y412 HydrophobicContact CZ-CD2 4.37Å; F408-Y412 VanDerWaalsContact O-CB 3.27Å; F408-Y412 WeakPolarHBondContact O-CB 3.35Å; F408-Y412 PolarHBondContact O-N 2.88Å; F408-V430 HydrophobicContact CD1-CG1 4.24Å; F408-V430 HydrophobicContact CE1-CG1 3.47Å; F408-V430 VanDerWaalsContact CE1-CG1 3.47Å; F408-V430 HydrophobicContact CZ-CG1 4.33Å; F408-E434 HydrophobicContact CE1-CB 4.5Å; F408-E434 HydrophobicContact CZ-CB 4.12Å; F408-L435 HydrophobicContact CB-CD1 4.4Å; F408-L435 HydrophobicContact CD1-CD1 3.6Å; F408-L435 HydrophobicContact CD1-CD2 3.76Å; F408-L435 HydrophobicContact CD1-CG 3.7Å; F408-L435 HydrophobicContact CD2-CD2 3.65Å; F408-L435 HydrophobicContact CD2-CG 4.5Å; F408-L435 HydrophobicContact CE1-CD1 3.99Å; F408-L435 HydrophobicContact CE1-CD2 3.63Å; F408-L435 HydrophobicContact CE1-CG 3.55Å; F408-L435 HydrophobicContact CE2-CD2 3.59Å; F408-L435 HydrophobicContact CE2-CG 4.44Å; F408-L435 HydrophobicContact CG-CD1 4.01Å; F408-L435 HydrophobicContact CG-CD2 3.76Å; F408-L435 HydrophobicContact CG-CG 4.18Å; F408-L435 HydrophobicContact CZ-CD2 3.57Å; F408-L435 HydrophobicContact CZ-CG 3.98Å; F408-I495 HydrophobicContact CD2-CD1 3.31Å; F408-I495 HydrophobicContact CD2-CG1 4.12Å; F408-I495 HydrophobicContact CE2-CD1 3.6Å; F408-I495 HydrophobicContact CE2-CG1 3.95Å; F408-I495 HydrophobicContact CG-CD1 4.24Å; F408-L499 HydrophobicContact CE2-CD1 4.2Å; F408-L499 HydrophobicContact CE2-CD2 4.03Å; F408-L499 HydrophobicContact CE2-CG 4.45Å; F408-L499 HydrophobicContact CZ-CD1 3.9Å; F408-L499 HydrophobicContact CZ-CD2 4.03Å; F408-L499 HydrophobicContact CZ-CG 4.48Å; F408-M549 HydrophobicContact CB-CE 3.9Å; F408-M549 HydrophobicContact CB-CG 4.02Å; F408-M549 HydrophobicContact CB-SD 3.8Å; F408-M549 HydrophobicContact CD2-SD 3.84Å; F408-M549 HydrophobicContact CG-CE 4.45Å; F408-M549 HydrophobicContact CG-SD 4.09Å
409Y98.7Very high96.9Very high2 Ų228 Ų281%0.00816%0.156CC..Hα-helixtrans-64.9-40.6-176.4-178-105.3000112.3V405 W406 R407 L411 Y412 R413 F422 I423 D426 F427 V430V405-Y409 PolarHBondContact O-N 3.32Å; V405-Y409 VanDerWaalsContact O-N 3.1Å; W406-Y409 PolarHBondContact O-N 3.21Å; R407-Y409 PolarHBondContact O-N 2.85Å; Y409-L411 VanDerWaalsContact C-N 3.32Å; Y409-L411 PolarHBondContact O-N 3.04Å; Y409-Y412 PolarHBondContact O-N 2.8Å; Y409-R413 HydrophobicContact CD2-CG 4.25Å; Y409-R413 HydrophobicContact CE1-CG 4.1Å; Y409-R413 HydrophobicContact CE2-CG 3.77Å; Y409-R413 WeakPolarHBondContact O-CB 3.31Å; Y409-R413 WeakPolarHBondContact O-CG 3.44Å; Y409-R413 PolarHBondContact O-N 3.37Å; Y409-F422 AromaticContact CD1-CD2 3.7Å; Y409-F422 HydrophobicContact CD1-CD2 3.7Å; Y409-F422 AromaticContact CD1-CE2 3.62Å; Y409-F422 HydrophobicContact CD1-CE2 3.62Å; Y409-F422 AromaticContact CE1-CD2 3.5Å; Y409-F422 HydrophobicContact CE1-CD2 3.5Å; Y409-F422 AromaticContact CE1-CE2 3.69Å; Y409-F422 HydrophobicContact CE1-CE2 3.69Å; Y409-F422 HydrophobicContact CE1-CG 4.11Å; Y409-F422 HydrophobicContact CE1-CZ 4.44Å; Y409-I423 PolarHBondContact OH-N 3.38Å; Y409-I423 PolarHBondContact OH-O 2.91Å; Y409-D426 HydrophobicContact CE2-CB 4.31Å; Y409-D426 VanDerWaalsContact CE2-OD2 3.24Å; Y409-D426 WeakPolarHBondContact CE2-OD2 3.47Å; Y409-D426 WeakPolarHBondContact OH-CB 3.48Å; Y409-D426 PolarHBondContact OH-OD2 2.99Å; Y409-F427 HydrophobicContact CD1-CB 4.37Å; Y409-F427 AromaticContact CD1-CD2 3.52Å; Y409-F427 HydrophobicContact CD1-CD2 3.52Å; Y409-F427 HydrophobicContact CD1-CE2 4.31Å; Y409-F427 HydrophobicContact CD1-CG 4.44Å; Y409-F427 HydrophobicContact CD2-CB 4.34Å; Y409-F427 HydrophobicContact CD2-CD2 4.01Å; Y409-F427 HydrophobicContact CE1-CB 4.2Å; Y409-F427 HydrophobicContact CE1-CD2 4.16Å; Y409-F427 HydrophobicContact CE2-CB 4.21Å; Y409-F427 HydrophobicContact CG-CB 4.43Å; Y409-F427 AromaticContact CG-CD2 3.41Å; Y409-F427 HydrophobicContact CG-CD2 3.41Å; Y409-F427 VanDerWaalsContact CG-CD2 3.41Å; Y409-F427 HydrophobicContact CG-CE2 4.11Å; Y409-F427 HydrophobicContact CG-CG 4.38Å; Y409-V430 HydrophobicContact CD2-CB 4.16Å; Y409-V430 HydrophobicContact CD2-CG1 4.06Å; Y409-V430 HydrophobicContact CE2-CB 4.33Å; Y409-V430 HydrophobicContact CE2-CG2 4.31Å
410L98.7Very high97.1Very high0 Ų028.7 Ų28.70%016%0.161CC..Hα-helixtrans-61.9-41.1177.2-67.5175000111.8L66 I70 L74 F132 M376 W406 R407 F408 R413 R414 F422L66-L410 HydrophobicContact CB-CD1 4.31Å; L66-L410 HydrophobicContact CB-CD2 3.88Å; L66-L410 HydrophobicContact CD1-CD2 4.13Å; L66-L410 HydrophobicContact CD2-CD1 4.27Å; I70-L410 HydrophobicContact CB-CB 4.26Å; I70-L410 HydrophobicContact CD1-CB 3.98Å; I70-L410 VanDerWaalsContact CD1-O 3.32Å; I70-L410 WeakPolarHBondContact CD1-O 3.27Å; I70-L410 HydrophobicContact CG1-CB 4.17Å; I70-L410 WeakPolarHBondContact CG1-O 3.41Å; L74-L410 HydrophobicContact CD2-CB 4Å; L74-L410 HydrophobicContact CD2-CD1 3.99Å; F132-L410 HydrophobicContact CE1-CD1 4.39Å; M376-L410 HydrophobicContact CE-CD2 3.85Å; M376-L410 HydrophobicContact SD-CD2 3.45Å; M376-L410 WeakPolarHBondContact SD-CD2 3.45Å; W406-L410 WeakPolarHBondContact O-CB 3.39Å; W406-L410 WeakPolarHBondContact O-CG 3.39Å; W406-L410 PolarHBondContact O-N 3.34Å; R407-L410 PolarHBondContact O-N 3.42Å; F408-L410 PolarHBondContact O-N 2.97Å; L410-R413 CarbonylContact O-C 3.54Å; L410-R413 VanDerWaalsContact O-C 3.3Å; L410-R413 PolarHBondContact O-N 3.13Å; L410-R414 WeakPolarHBondContact O-CA 3.45Å; L410-R414 PolarHBondContact O-N 2.83Å; L410-F422 HydrophobicContact CD2-CD2 4.21Å
411L98.7Very high97.3Very high0 Ų026.7 Ų26.70%014%0.138CC..Hα-helixtrans-72.7-38.1177.8-70.1158.9000111.9I70 L74 V78 R407 F408 Y409 R413 R414 L491 I495 F548I70-L411 HydrophobicContact CD1-CD2 3.78Å; I70-L411 HydrophobicContact CD1-CG 4.09Å; L74-L411 HydrophobicContact CD1-CD1 4.37Å; L74-L411 HydrophobicContact CD2-CD1 4.44Å; L74-L411 HydrophobicContact CD2-CG 4.25Å; L74-L411 HydrophobicContact CG-CD1 4.35Å; L74-L411 HydrophobicContact CG-CD2 4.41Å; L74-L411 HydrophobicContact CG-CG 4.38Å; V78-L411 HydrophobicContact CG2-CD1 3.45Å; V78-L411 VanDerWaalsContact CG2-CD1 3.45Å; V78-L411 HydrophobicContact CG2-CD2 3.84Å; V78-L411 HydrophobicContact CG2-CG 4.29Å; R407-L411 HydrophobicContact CB-CD1 4.47Å; R407-L411 WeakPolarHBondContact O-CB 3.25Å; R407-L411 WeakPolarHBondContact O-CD1 3.43Å; R407-L411 VanDerWaalsContact O-CG 3.3Å; R407-L411 WeakPolarHBondContact O-CG 3.45Å; R407-L411 PolarHBondContact O-N 3.13Å; F408-L411 PolarHBondContact O-N 3.43Å; Y409-L411 VanDerWaalsContact C-N 3.32Å; Y409-L411 PolarHBondContact O-N 3.04Å; L411-R413 PolarHBondContact O-N 2.68Å; L411-R414 VanDerWaalsContact O-CB 3.28Å; L411-R414 WeakPolarHBondContact O-CB 3.42Å; L411-R414 PolarHBondContact O-N 3.44Å; L411-R414 VanDerWaalsContact O-N 3.15Å; L411-L491 HydrophobicContact CD2-CD1 4.46Å; L411-I495 HydrophobicContact CB-CD1 4.19Å; L411-F548 HydrophobicContact CB-CD1 4.18Å; L411-F548 HydrophobicContact CD1-CB 4.15Å; L411-F548 HydrophobicContact CD1-CD1 3.74Å; L411-F548 HydrophobicContact CD1-CG 4.4Å; L411-F548 HydrophobicContact CG-CD1 4.39Å
412Y98.4Very high97.4Very high35 Ų3526.4 Ų26.414%0.13714%0.137CC..Hα-helixtrans-61.4-30.9173.2-173.2-95.7000112.4F408 Y409 V430 R492 I495 R496 L499F408-Y412 HydrophobicContact CZ-CD2 4.37Å; F408-Y412 VanDerWaalsContact O-CB 3.27Å; F408-Y412 WeakPolarHBondContact O-CB 3.35Å; F408-Y412 PolarHBondContact O-N 2.88Å; Y409-Y412 PolarHBondContact O-N 2.8Å; Y412-V430 HydrophobicContact CD1-CG1 4.09Å; Y412-V430 HydrophobicContact CD1-CG2 4.24Å; Y412-V430 HydrophobicContact CE1-CG1 4.3Å; Y412-V430 HydrophobicContact CE1-CG2 3.89Å; Y412-V430 HydrophobicContact CG-CG1 4.36Å; Y412-R492 WeakPolarHBondContact O-CG 3.35Å; Y412-I495 HydrophobicContact CD2-CG2 4.44Å; Y412-R496 HydrophobicContact CD2-CG 4.49Å; Y412-R496 HydrophobicContact CE2-CG 4.16Å; Y412-L499 HydrophobicContact CD2-CD1 4.05Å; Y412-L499 HydrophobicContact CE2-CD1 3.8Å
413R97.7Very high97.4Very high72 Ų7224.9 Ų24.927%0.27213%0.129SC..THydrogen-bonded Turntrans-106.519.9176.9-61.3-69.5-67.9-165.3-4113M376 Y409 L410 L411 S420 A421 D426M376-R413 HydrophobicContact CE-CB 4.21Å; Y409-R413 HydrophobicContact CD2-CG 4.25Å; Y409-R413 HydrophobicContact CE1-CG 4.1Å; Y409-R413 HydrophobicContact CE2-CG 3.77Å; Y409-R413 WeakPolarHBondContact O-CB 3.31Å; Y409-R413 WeakPolarHBondContact O-CG 3.44Å; Y409-R413 PolarHBondContact O-N 3.37Å; L410-R413 CarbonylContact O-C 3.54Å; L410-R413 VanDerWaalsContact O-C 3.3Å; L410-R413 PolarHBondContact O-N 3.13Å; L411-R413 PolarHBondContact O-N 2.68Å; R413-S420 VanDerWaalsContact O-CB 3.23Å; R413-S420 WeakPolarHBondContact O-CB 3.17Å; R413-S420 PolarHBondContact O-OG 3.49Å; R413-A421 PolarHBondContact NH2-O 3.07Å; R413-D426 IonicContact CZ-OD2 3.55Å; R413-D426 IonicContact NE-OD2 2.75Å; R413-D426 IonicContact NH1-OD2 3.04Å
414R98.3Very high97.4Very high7 Ų724.4 Ų24.43%0.02613%0.125CC..  trans-56.6127.3-176.5-174177.7178-104.6-3.9110.4I70 S75 T373 L410 L411 E416 C489 R492I70-R414 HydrophobicContact CD1-CB 4.15Å; I70-R414 HydrophobicContact CD1-CG 4Å; I70-R414 HydrophobicContact CG1-CB 4.33Å; I70-R414 HydrophobicContact CG1-CG 4.12Å; S75-R414 PolarHBondContact OG-NE 3.22Å; T373-R414 VanDerWaalsContact CG2-NH2 3.28Å; L410-R414 WeakPolarHBondContact O-CA 3.45Å; L410-R414 PolarHBondContact O-N 2.83Å; L411-R414 VanDerWaalsContact O-CB 3.28Å; L411-R414 WeakPolarHBondContact O-CB 3.42Å; L411-R414 PolarHBondContact O-N 3.44Å; L411-R414 VanDerWaalsContact O-N 3.15Å; R414-E416 VanDerWaalsContact C-N 3.31Å; R414-E416 HydrophobicContact CB-CG 4.2Å; R414-E416 WeakPolarHBondContact CD-OE1 3.36Å; R414-E416 HydrophobicContact CG-CG 3.9Å; R414-E416 IonicContact CZ-OE1 3.15Å; R414-E416 VanDerWaalsContact NH1-CD 3.3Å; R414-E416 VanDerWaalsContact NH1-CG 3.34Å; R414-E416 IonicContact NH1-OE1 3.09Å; R414-E416 PolarHBondContact NH1-OE1 3.19Å; R414-E416 PolarHBondContact O-N 3.15Å; R414-C489 PolarHBondContact NH1-O 3.36Å; R414-R492 HydrophobicContact CB-CB 4.33Å
415P97.5Very high97.3Very high0 Ų029.5 Ų29.50%015%0.153CC..  trans-79.775.5-176.631.6-34.9000111.1T373 E374 M376 Q418T373-P415 WeakPolarHBondContact CB-O 3.49Å; E374-P415 HydrophobicContact CB-CB 4.05Å; E374-P415 PolarHBondContact N-O 3.08Å; E374-P415 WeakPolarHBondContact O-CG 3.4Å; M376-P415 HydrophobicContact CB-CG 4.23Å; P415-Q418 WeakPolarHBondContact CA-O 3.18Å
416E96Very high97.2Very high25 Ų2530.6 Ų30.612%0.11716%0.158CC..SBendtrans-79.7-58.2-175-54.2-168.3153.900112.5R414 L491 R492R414-E416 VanDerWaalsContact C-N 3.31Å; R414-E416 HydrophobicContact CB-CG 4.2Å; R414-E416 WeakPolarHBondContact CD-OE1 3.36Å; R414-E416 HydrophobicContact CG-CG 3.9Å; R414-E416 IonicContact CZ-OE1 3.15Å; R414-E416 VanDerWaalsContact NH1-CD 3.3Å; R414-E416 VanDerWaalsContact NH1-CG 3.34Å; R414-E416 IonicContact NH1-OE1 3.09Å; R414-E416 PolarHBondContact NH1-OE1 3.19Å; R414-E416 PolarHBondContact O-N 3.15Å; E416-L491 PolarHBondContact OE1-N 3.06Å; E416-R492 HydrophobicContact CG-CB 4.24Å; E416-R492 PolarHBondContact OE1-N 3.26Å
417S91Very high97.2Very high68 Ų6830.6 Ų30.648%0.47616%0.158SC..SBendtrans-99.7-23.5-175.655.30000114.5
418Q94.9Very high97.2Very high136 Ų13632.1 Ų32.164%0.63617%0.165SC*.SBendtrans-148.6160.8-179.860.2175.657.800109.6E374 P415 S420E374-Q418 VanDerWaalsContact CB-C 3.47Å; P415-Q418 WeakPolarHBondContact CA-O 3.18Å; Q418-S420 PolarHBondContact O-N 3.16Å
419D95.9Very high97.2Very high64 Ų6437 Ų3734%0.34219%0.191SC..  trans-53139.9172.2-79.14.7000110.2K343 E374 Y375K343-D419 IonicContact NZ-OD1 2.9Å; K343-D419 PolarHBondContact NZ-OD1 3.39Å; E374-D419 WeakPolarHBondContact CB-OD1 3.33Å; Y375-D419 PolarHBondContact N-OD1 3.36Å; Y375-D419 CarbonylContact O-C 3.59Å; Y375-D419 VanDerWaalsContact O-CA 3.23Å; Y375-D419 WeakPolarHBondContact O-CA 3.07Å
420S97Very high97.1Very high18 Ų1837.1 Ų37.113%0.12619%0.192CC..EExtended strand (participates in β ladder)trans-116.3175.9173.679.30000110.3Y375 N377 R413 Q418Y375-S420 PolarHBondContact O-N 3.03Å; N377-S420 WeakPolarHBondContact CB-O 3.21Å; N377-S420 PolarHBondContact N-O 3.21Å; R413-S420 VanDerWaalsContact O-CB 3.23Å; R413-S420 WeakPolarHBondContact O-CB 3.17Å; R413-S420 PolarHBondContact O-OG 3.49Å; Q418-S420 PolarHBondContact O-N 3.16Å
421A97.1Very high97.1Very high16 Ų1637.3 Ų37.313%0.13219%0.193CC..EExtended strand (participates in β ladder)trans-136140.517400000109.9N377 E379 R413 I423N377-A421 HydrophobicContact CB-CB 4.31Å; N377-A421 WeakPolarHBondContact O-CA 3.09Å; E379-A421 WeakPolarHBondContact O-CB 3.13Å; R413-A421 PolarHBondContact NH2-O 3.07Å; A421-I423 HydrophobicContact CB-CD1 4.39Å; A421-I423 HydrophobicContact CB-CG1 4.16Å
422F97.9Very high97.1Very high0 Ų038.4 Ų38.40%020%0.199CC..EExtended strand (participates in β ladder)trans-76.4124.2162-179-80000108.7L66 M376 N377 Y378 E379 W406 Y409 L410 W424 F427L66-F422 HydrophobicContact CD1-CD2 3.72Å; L66-F422 HydrophobicContact CD1-CE2 3.81Å; L66-F422 HydrophobicContact CD1-CG 4.34Å; L66-F422 HydrophobicContact CD1-CZ 4.48Å; M376-F422 HydrophobicContact SD-CB 4.31Å; N377-F422 PolarHBondContact O-N 3.26Å; Y378-F422 HydrophobicContact CD2-CB 4.31Å; Y378-F422 AromaticContact CD2-CD1 3.85Å; Y378-F422 HydrophobicContact CD2-CD1 3.85Å; Y378-F422 HydrophobicContact CD2-CG 4.37Å; Y378-F422 AromaticContact CE2-CD1 3.7Å; Y378-F422 HydrophobicContact CE2-CD1 3.7Å; Y378-F422 HydrophobicContact CE2-CE1 4.16Å; E379-F422 WeakPolarHBondContact CA-O 3.38Å; E379-F422 PolarHBondContact N-O 3.29Å; W406-F422 HydrophobicContact CE3-CE2 4.04Å; W406-F422 HydrophobicContact CE3-CZ 4.38Å; W406-F422 HydrophobicContact CH2-CZ 4.29Å; W406-F422 AromaticContact CZ3-CE2 3.59Å; W406-F422 HydrophobicContact CZ3-CE2 3.59Å; W406-F422 AromaticContact CZ3-CZ 3.54Å; W406-F422 HydrophobicContact CZ3-CZ 3.54Å; Y409-F422 AromaticContact CD1-CD2 3.7Å; Y409-F422 HydrophobicContact CD1-CD2 3.7Å; Y409-F422 AromaticContact CD1-CE2 3.62Å; Y409-F422 HydrophobicContact CD1-CE2 3.62Å; Y409-F422 AromaticContact CE1-CD2 3.5Å; Y409-F422 HydrophobicContact CE1-CD2 3.5Å; Y409-F422 AromaticContact CE1-CE2 3.69Å; Y409-F422 HydrophobicContact CE1-CE2 3.69Å; Y409-F422 HydrophobicContact CE1-CG 4.11Å; Y409-F422 HydrophobicContact CE1-CZ 4.44Å; L410-F422 HydrophobicContact CD2-CD2 4.21Å; F422-W424 AromaticContact CE1-CD2 3.76Å; F422-W424 HydrophobicContact CE1-CD2 3.76Å; F422-W424 AromaticContact CE1-CE2 3.69Å; F422-W424 HydrophobicContact CE1-CE3 4.23Å; F422-W424 HydrophobicContact CE1-CG 4.02Å; F422-W424 HydrophobicContact CE1-CZ2 4.14Å; F422-W424 AromaticContact CE1-NE1 3.83Å; F422-W424 HydrophobicContact CZ-CD2 4.25Å; F422-W424 HydrophobicContact CZ-CE3 4.26Å; F422-W424 HydrophobicContact CZ-CH2 4.43Å; F422-W424 HydrophobicContact CZ-CZ2 4.36Å; F422-W424 HydrophobicContact CZ-CZ3 4.36Å; F422-F427 AromaticContact CE2-CD2 3.98Å; F422-F427 HydrophobicContact CE2-CD2 3.98Å; F422-F427 HydrophobicContact CE2-CE2 4.46Å; F422-F427 HydrophobicContact CZ-CB 4.3Å; F422-F427 HydrophobicContact CZ-CD2 4.07Å; F422-F427 HydrophobicContact CZ-CG 4.21Å
423I97.4Very high97.1Very high52 Ų5238.9 Ų38.927%0.26721%0.207SC..  trans-131.1125.2-177.8-60.5167.6000108.3Y409 A421 D426 F427Y409-I423 PolarHBondContact OH-N 3.38Å; Y409-I423 PolarHBondContact OH-O 2.91Å; A421-I423 HydrophobicContact CB-CD1 4.39Å; A421-I423 HydrophobicContact CB-CG1 4.16Å; I423-D426 HydrophobicContact CB-CB 3.87Å; I423-D426 HydrophobicContact CG2-CB 3.98Å; I423-D426 PolarHBondContact O-N 2.97Å; I423-F427 WeakPolarHBondContact O-CB 3.33Å; I423-F427 PolarHBondContact O-N 3.35Å
424W96.8Very high97.1Very high4 Ų436.6 Ų36.62%0.01520%0.2CC..Hα-helixtrans-64.5-42.4-175.4-85.6108.9000114.2Y378 E379 V391 W406 F422 D426 F427 M428 I605 L608 S609 Y612Y378-W424 AromaticContact CE2-NE1 3.87Å; Y378-W424 AromaticContact CZ-NE1 3.71Å; Y378-W424 PolarHBondContact OH-NE1 3.01Å; E379-W424 VanDerWaalsContact OE1-CD1 3.29Å; E379-W424 PolarHBondContact OE1-N 3.22Å; V391-W424 HydrophobicContact CG2-CZ2 3.69Å; W406-W424 AromaticContact CH2-CH2 3.44Å; W406-W424 HydrophobicContact CH2-CH2 3.44Å; W406-W424 VanDerWaalsContact CH2-CH2 3.44Å; W406-W424 HydrophobicContact CH2-CZ2 4.12Å; W406-W424 HydrophobicContact CH2-CZ3 4.1Å; W406-W424 HydrophobicContact CZ2-CH2 4.17Å; W406-W424 HydrophobicContact CZ3-CH2 4.29Å; F422-W424 AromaticContact CE1-CD2 3.76Å; F422-W424 HydrophobicContact CE1-CD2 3.76Å; F422-W424 AromaticContact CE1-CE2 3.69Å; F422-W424 HydrophobicContact CE1-CE3 4.23Å; F422-W424 HydrophobicContact CE1-CG 4.02Å; F422-W424 HydrophobicContact CE1-CZ2 4.14Å; F422-W424 AromaticContact CE1-NE1 3.83Å; F422-W424 HydrophobicContact CZ-CD2 4.25Å; F422-W424 HydrophobicContact CZ-CE3 4.26Å; F422-W424 HydrophobicContact CZ-CH2 4.43Å; F422-W424 HydrophobicContact CZ-CZ2 4.36Å; F422-W424 HydrophobicContact CZ-CZ3 4.36Å; W424-D426 VanDerWaalsContact C-N 3.31Å; W424-D426 PolarHBondContact O-N 3.07Å; W424-F427 HydrophobicContact CE3-CD1 4.17Å; W424-F427 HydrophobicContact CZ3-CD1 4.1Å; W424-F427 HydrophobicContact CZ3-CE1 4.3Å; W424-F427 WeakPolarHBondContact O-CB 3.44Å; W424-F427 PolarHBondContact O-N 3.32Å; W424-M428 PolarHBondContact O-N 3.27Å; W424-M428 VanDerWaalsContact O-N 3.08Å; W424-I605 HydrophobicContact CB-CG2 3.86Å; W424-I605 HydrophobicContact CE3-CD1 3.65Å; W424-I605 HydrophobicContact CE3-CG2 4.45Å; W424-I605 HydrophobicContact CZ3-CD1 4.1Å; W424-L608 HydrophobicContact CE3-CB 4.31Å; W424-L608 HydrophobicContact CH2-CB 3.43Å; W424-L608 VanDerWaalsContact CH2-CB 3.43Å; W424-L608 HydrophobicContact CH2-CD1 3.78Å; W424-L608 HydrophobicContact CH2-CG 4.1Å; W424-L608 HydrophobicContact CZ2-CB 3.82Å; W424-L608 HydrophobicContact CZ3-CB 3.73Å; W424-L608 HydrophobicContact CZ3-CD1 3.66Å; W424-L608 HydrophobicContact CZ3-CG 4.32Å; W424-S609 VanDerWaalsContact CD1-CB 3.46Å; W424-Y612 AromaticContact CZ2-CD2 3.74Å; W424-Y612 HydrophobicContact CZ2-CD2 3.74Å; W424-Y612 HydrophobicContact CZ2-CE2 4.19Å
425D96.6Very high97.2Very high108 Ų10836.3 Ų36.358%0.57820%0.199SC*.Hα-helixtrans-65.1-38177.9-73.4-19.3000111.5M428 L429D425-M428 PolarHBondContact O-N 2.69Å; D425-L429 WeakPolarHBondContact O-CB 3.28Å; D425-L429 PolarHBondContact O-N 2.87Å
426D97.8Very high97.2Very high32 Ų3238.5 Ų38.517%0.17121%0.21CC..Hα-helixtrans-69.7-38.5175.5-173.156.5000111.2Y409 R413 I423 W424 M428 L429 V430Y409-D426 HydrophobicContact CE2-CB 4.31Å; Y409-D426 VanDerWaalsContact CE2-OD2 3.24Å; Y409-D426 WeakPolarHBondContact CE2-OD2 3.47Å; Y409-D426 WeakPolarHBondContact OH-CB 3.48Å; Y409-D426 PolarHBondContact OH-OD2 2.99Å; R413-D426 IonicContact CZ-OD2 3.55Å; R413-D426 IonicContact NE-OD2 2.75Å; R413-D426 IonicContact NH1-OD2 3.04Å; I423-D426 HydrophobicContact CB-CB 3.87Å; I423-D426 HydrophobicContact CG2-CB 3.98Å; I423-D426 PolarHBondContact O-N 2.97Å; W424-D426 VanDerWaalsContact C-N 3.31Å; W424-D426 PolarHBondContact O-N 3.07Å; D426-M428 VanDerWaalsContact C-N 3.34Å; D426-M428 PolarHBondContact O-N 3.41Å; D426-L429 PolarHBondContact O-N 2.85Å; D426-V430 VanDerWaalsContact O-CB 3.22Å; D426-V430 WeakPolarHBondContact O-CB 3.35Å; D426-V430 VanDerWaalsContact O-CG2 3.28Å; D426-V430 WeakPolarHBondContact O-CG2 3.39Å; D426-V430 PolarHBondContact O-N 2.81Å
427F98.1Very high97.3Very high2 Ų242.3 Ų42.31%0.00923%0.232CC..Hα-helixtrans-55.7-47.5172.9-178.8-98.9000111.8V401 V405 W406 Y409 F422 I423 W424 N431 I600 I605V401-F427 HydrophobicContact CG1-CE1 4.32Å; V401-F427 HydrophobicContact CG1-CZ 3.99Å; V405-F427 HydrophobicContact CG1-CE1 4.24Å; V405-F427 HydrophobicContact CG1-CE2 4Å; V405-F427 HydrophobicContact CG1-CZ 3.55Å; W406-F427 HydrophobicContact CD2-CE2 4.4Å; W406-F427 HydrophobicContact CD2-CZ 4.25Å; W406-F427 HydrophobicContact CE3-CE2 4.06Å; W406-F427 HydrophobicContact CE3-CZ 4.24Å; W406-F427 HydrophobicContact CZ3-CE2 4.44Å; Y409-F427 HydrophobicContact CD1-CB 4.37Å; Y409-F427 AromaticContact CD1-CD2 3.52Å; Y409-F427 HydrophobicContact CD1-CD2 3.52Å; Y409-F427 HydrophobicContact CD1-CE2 4.31Å; Y409-F427 HydrophobicContact CD1-CG 4.44Å; Y409-F427 HydrophobicContact CD2-CB 4.34Å; Y409-F427 HydrophobicContact CD2-CD2 4.01Å; Y409-F427 HydrophobicContact CE1-CB 4.2Å; Y409-F427 HydrophobicContact CE1-CD2 4.16Å; Y409-F427 HydrophobicContact CE2-CB 4.21Å; Y409-F427 HydrophobicContact CG-CB 4.43Å; Y409-F427 AromaticContact CG-CD2 3.41Å; Y409-F427 HydrophobicContact CG-CD2 3.41Å; Y409-F427 VanDerWaalsContact CG-CD2 3.41Å; Y409-F427 HydrophobicContact CG-CE2 4.11Å; Y409-F427 HydrophobicContact CG-CG 4.38Å; F422-F427 AromaticContact CE2-CD2 3.98Å; F422-F427 HydrophobicContact CE2-CD2 3.98Å; F422-F427 HydrophobicContact CE2-CE2 4.46Å; F422-F427 HydrophobicContact CZ-CB 4.3Å; F422-F427 HydrophobicContact CZ-CD2 4.07Å; F422-F427 HydrophobicContact CZ-CG 4.21Å; I423-F427 WeakPolarHBondContact O-CB 3.33Å; I423-F427 PolarHBondContact O-N 3.35Å; W424-F427 HydrophobicContact CE3-CD1 4.17Å; W424-F427 HydrophobicContact CZ3-CD1 4.1Å; W424-F427 HydrophobicContact CZ3-CE1 4.3Å; W424-F427 WeakPolarHBondContact O-CB 3.44Å; W424-F427 PolarHBondContact O-N 3.32Å; F427-N431 WeakPolarHBondContact O-CB 3.36Å; F427-N431 PolarHBondContact O-N 2.91Å; F427-I600 HydrophobicContact CD1-CD1 4.32Å; F427-I600 HydrophobicContact CE1-CD1 3.78Å; F427-I605 HydrophobicContact CD1-CD1 3.93Å
428M97.9Very high97.7Very high31 Ų3139.5 Ų39.515%0.15321%0.211CC..Hα-helixtrans-62.3-49.5175.2-172.9-174.455.500111.9W424 D425 D426 N431 N432 I600 I605W424-M428 PolarHBondContact O-N 3.27Å; W424-M428 VanDerWaalsContact O-N 3.08Å; D425-M428 PolarHBondContact O-N 2.69Å; D426-M428 VanDerWaalsContact C-N 3.34Å; D426-M428 PolarHBondContact O-N 3.41Å; M428-N431 PolarHBondContact O-N 3.2Å; M428-N432 WeakPolarHBondContact O-CB 3.2Å; M428-N432 VanDerWaalsContact O-CG 3.24Å; M428-N432 PolarHBondContact O-N 2.78Å; M428-N432 PolarHBondContact O-ND2 3.45Å; M428-I600 HydrophobicContact CG-CB 4.34Å; M428-I600 HydrophobicContact CG-CG2 4.2Å; M428-I600 WeakPolarHBondContact CG-O 3.45Å; M428-I605 HydrophobicContact CB-CD1 3.85Å; M428-I605 HydrophobicContact CB-CG1 3.77Å; M428-I605 HydrophobicContact CG-CD1 4.48Å; M428-I605 HydrophobicContact CG-CG1 3.96Å; M428-I605 HydrophobicContact SD-CG1 4.06Å
429L98.2Very high97.9Very high105 Ų10533 Ų3355%0.5518%0.181SC..Hα-helixtrans-59.4-52-176.9179.465.2000110.3D425 D426 N431 N432 S433D425-L429 WeakPolarHBondContact O-CB 3.28Å; D425-L429 PolarHBondContact O-N 2.87Å; D426-L429 PolarHBondContact O-N 2.85Å; L429-N431 PolarHBondContact O-N 3.26Å; L429-N432 PolarHBondContact O-N 2.84Å; L429-N432 VanDerWaalsContact O-N 3.16Å; L429-S433 WeakPolarHBondContact O-CB 3.42Å; L429-S433 PolarHBondContact O-N 3.46Å; L429-S433 PolarHBondContact O-OG 3.46Å
430V98.3Very high98Very high5 Ų530.3 Ų30.33%0.0317%0.168CC..Hα-helixtrans-63.6-40.1-178.4166.20000111.6F408 Y409 Y412 D426 E434 L435F408-V430 HydrophobicContact CD1-CG1 4.24Å; F408-V430 HydrophobicContact CE1-CG1 3.47Å; F408-V430 VanDerWaalsContact CE1-CG1 3.47Å; F408-V430 HydrophobicContact CZ-CG1 4.33Å; Y409-V430 HydrophobicContact CD2-CB 4.16Å; Y409-V430 HydrophobicContact CD2-CG1 4.06Å; Y409-V430 HydrophobicContact CE2-CB 4.33Å; Y409-V430 HydrophobicContact CE2-CG2 4.31Å; Y412-V430 HydrophobicContact CD1-CG1 4.09Å; Y412-V430 HydrophobicContact CD1-CG2 4.24Å; Y412-V430 HydrophobicContact CE1-CG1 4.3Å; Y412-V430 HydrophobicContact CE1-CG2 3.89Å; Y412-V430 HydrophobicContact CG-CG1 4.36Å; D426-V430 VanDerWaalsContact O-CB 3.22Å; D426-V430 WeakPolarHBondContact O-CB 3.35Å; D426-V430 VanDerWaalsContact O-CG2 3.28Å; D426-V430 WeakPolarHBondContact O-CG2 3.39Å; D426-V430 PolarHBondContact O-N 2.81Å; V430-E434 WeakPolarHBondContact O-CB 3.18Å; V430-E434 PolarHBondContact O-N 2.91Å; V430-L435 PolarHBondContact O-N 2.9Å
431N98.5Very high98.1Very high4 Ų432.3 Ų32.32%0.02118%0.177CC..Iπ-helixtrans-59.5-48.8171.6175.685.6000111.4F427 M428 L429 L435 L436 R598 I600F427-N431 WeakPolarHBondContact O-CB 3.36Å; F427-N431 PolarHBondContact O-N 2.91Å; M428-N431 PolarHBondContact O-N 3.2Å; L429-N431 PolarHBondContact O-N 3.26Å; N431-L435 WeakPolarHBondContact O-CA 3.31Å; N431-L435 VanDerWaalsContact O-CB 3.28Å; N431-L435 WeakPolarHBondContact O-CB 3.35Å; N431-L435 PolarHBondContact O-N 2.71Å; N431-L436 PolarHBondContact O-N 2.91Å; N431-R598 PolarHBondContact ND2-O 2.76Å; N431-I600 HydrophobicContact CB-CD1 3.85Å; N431-I600 HydrophobicContact CB-CG1 4.49Å; N431-I600 WeakPolarHBondContact ND2-CG1 3.27Å
432N98.4Very high98.1Very high23 Ų2331.5 Ų31.512%0.12317%0.171CC..Iπ-helixtrans-73.4-37.7-173.7-67.6-18.9000112.3M428 L429 L436 N437 K599 I600M428-N432 WeakPolarHBondContact O-CB 3.2Å; M428-N432 VanDerWaalsContact O-CG 3.24Å; M428-N432 PolarHBondContact O-N 2.78Å; M428-N432 PolarHBondContact O-ND2 3.45Å; L429-N432 PolarHBondContact O-N 2.84Å; L429-N432 VanDerWaalsContact O-N 3.16Å; N432-L436 WeakPolarHBondContact O-CB 3.29Å; N432-N437 WeakPolarHBondContact O-CB 3.25Å; N432-N437 PolarHBondContact O-N 2.83Å; N432-N437 VanDerWaalsContact O-N 3.1Å; N432-N437 PolarHBondContact O-ND2 3.26Å; N432-N437 VanDerWaalsContact O-ND2 3.09Å; N432-K599 WeakPolarHBondContact OD1-CA 3.24Å; N432-I600 PolarHBondContact ND2-O 3.18Å; N432-I600 PolarHBondContact OD1-N 3.11Å
433S98.3Very high98.2Very high45 Ų4531.5 Ų31.532%0.31517%0.171SC..Iπ-helixtrans-81.9-52.6-178.263.40000112.5L429 N438L429-S433 WeakPolarHBondContact O-CB 3.42Å; L429-S433 PolarHBondContact O-N 3.46Å; L429-S433 PolarHBondContact O-OG 3.46Å; S433-N438 WeakPolarHBondContact O-CB 3.44Å; S433-N438 PolarHBondContact O-N 3.16Å
434E98.4Very high98.2Very high24 Ų2431.3 Ų31.311%0.11217%0.17CC..Iπ-helixtrans-89.2-41.2-171.2-64.4-62.9174.400112.7F408 V430 N438 L439 L499 R503F408-E434 HydrophobicContact CE1-CB 4.5Å; F408-E434 HydrophobicContact CZ-CB 4.12Å; V430-E434 WeakPolarHBondContact O-CB 3.18Å; V430-E434 PolarHBondContact O-N 2.91Å; E434-N438 WeakPolarHBondContact O-CB 3.34Å; E434-N438 PolarHBondContact OE2-ND2 2.95Å; E434-L439 PolarHBondContact O-N 3.22Å; E434-L499 HydrophobicContact CB-CD1 4Å; E434-L499 HydrophobicContact CB-CD2 4.05Å; E434-L499 HydrophobicContact CG-CD1 4.05Å; E434-R503 IonicContact OE1-NH2 3.5Å; E434-R503 PolarHBondContact OE1-NH2 2.83Å; E434-R503 IonicContact OE2-NH2 3.41Å; E434-R503 PolarHBondContact OE2-NH2 2.87Å
435L98.7Very high98.2Very high0 Ų033.2 Ų33.20%018%0.177CC..Iπ-helixtrans-79.5-61.9177.5-61.3-179.3000110.9V405 F408 V430 N431 L439 G440 M549 F597V405-L435 HydrophobicContact CG1-CD1 4.41Å; V405-L435 HydrophobicContact CG2-CD1 4.28Å; F408-L435 HydrophobicContact CB-CD1 4.4Å; F408-L435 HydrophobicContact CD1-CD1 3.6Å; F408-L435 HydrophobicContact CD1-CD2 3.76Å; F408-L435 HydrophobicContact CD1-CG 3.7Å; F408-L435 HydrophobicContact CD2-CD2 3.65Å; F408-L435 HydrophobicContact CD2-CG 4.5Å; F408-L435 HydrophobicContact CE1-CD1 3.99Å; F408-L435 HydrophobicContact CE1-CD2 3.63Å; F408-L435 HydrophobicContact CE1-CG 3.55Å; F408-L435 HydrophobicContact CE2-CD2 3.59Å; F408-L435 HydrophobicContact CE2-CG 4.44Å; F408-L435 HydrophobicContact CG-CD1 4.01Å; F408-L435 HydrophobicContact CG-CD2 3.76Å; F408-L435 HydrophobicContact CG-CG 4.18Å; F408-L435 HydrophobicContact CZ-CD2 3.57Å; F408-L435 HydrophobicContact CZ-CG 3.98Å; V430-L435 PolarHBondContact O-N 2.9Å; N431-L435 WeakPolarHBondContact O-CA 3.31Å; N431-L435 VanDerWaalsContact O-CB 3.28Å; N431-L435 WeakPolarHBondContact O-CB 3.35Å; N431-L435 PolarHBondContact O-N 2.71Å; L435-L439 HydrophobicContact CD2-CD2 4.37Å; L435-G440 WeakPolarHBondContact O-CA 3.46Å; L435-G440 PolarHBondContact O-N 3.42Å; L435-M549 HydrophobicContact CD1-CE 3.89Å; L435-M549 HydrophobicContact CD2-CE 4.04Å; L435-M549 HydrophobicContact CD2-SD 3.92Å; L435-F597 VanDerWaalsContact C-CD2 3.46Å; L435-F597 HydrophobicContact CB-CB 4.48Å; L435-F597 HydrophobicContact CB-CD1 4.07Å; L435-F597 HydrophobicContact CB-CD2 3.81Å; L435-F597 HydrophobicContact CB-CE1 4.24Å; L435-F597 HydrophobicContact CB-CE2 3.99Å; L435-F597 HydrophobicContact CB-CG 3.85Å; L435-F597 HydrophobicContact CB-CZ 4.19Å; L435-F597 HydrophobicContact CD1-CD1 4.28Å; L435-F597 HydrophobicContact CD1-CE1 4.23Å; L435-F597 HydrophobicContact CD2-CE1 4.22Å; L435-F597 HydrophobicContact CD2-CE2 4.34Å; L435-F597 HydrophobicContact CD2-CZ 3.94Å; L435-F597 HydrophobicContact CG-CE1 4.49Å; L435-F597 WeakPolarHBondContact O-CD2 3.44Å; L435-F597 WeakPolarHBondContact O-CE2 3.46Å
436L98.5Very high98.3Very high46 Ų4628 Ų2824%0.24115%0.15CC..Iπ-helixtrans-69.3-54.8-172.6-178.268.2000112.5N431 N432 N441 F597 K599N431-L436 PolarHBondContact O-N 2.91Å; N432-L436 WeakPolarHBondContact O-CB 3.29Å; L436-N441 PolarHBondContact O-N 2.95Å; L436-N441 VanDerWaalsContact O-N 3.12Å; L436-F597 HydrophobicContact CB-CB 4.44Å; L436-F597 HydrophobicContact CD1-CB 4.21Å; L436-F597 VanDerWaalsContact CD1-O 3.28Å; L436-F597 WeakPolarHBondContact CD1-O 3.45Å; L436-K599 HydrophobicContact CD2-CB 3.83Å; L436-K599 HydrophobicContact CD2-CG 4.33Å
437N98.3Very high98.3Very high106 Ų10626.5 Ų26.557%0.56714%0.142SC*.Iπ-helixtrans-85.5-12.9-170.5-68-20.4000114.5N432 N441N432-N437 WeakPolarHBondContact O-CB 3.25Å; N432-N437 PolarHBondContact O-N 2.83Å; N432-N437 VanDerWaalsContact O-N 3.1Å; N432-N437 PolarHBondContact O-ND2 3.26Å; N432-N437 VanDerWaalsContact O-ND2 3.09Å; N437-N441 WeakPolarHBondContact O-CB 3.35Å
438N98.7Very high98.3Very high9 Ų928 Ų285%0.04815%0.153CC..Iπ-helixtrans-113.6-78.7179.8-179.622.8000111.9S433 E434 N441 F442 L499 A502 R503 N506S433-N438 WeakPolarHBondContact O-CB 3.44Å; S433-N438 PolarHBondContact O-N 3.16Å; E434-N438 WeakPolarHBondContact O-CB 3.34Å; E434-N438 PolarHBondContact OE2-ND2 2.95Å; N438-N441 PolarHBondContact O-N 3.15Å; N438-F442 PolarHBondContact O-N 3.41Å; N438-L499 PolarHBondContact ND2-O 3.32Å; N438-A502 VanDerWaalsContact OD1-C 3.25Å; N438-R503 VanDerWaalsContact OD1-CA 3.27Å; N438-R503 WeakPolarHBondContact OD1-CA 3.43Å; N438-R503 PolarHBondContact OD1-N 3.1Å; N438-N506 PolarHBondContact O-ND2 3.47Å; N438-N506 PolarHBondContact OD1-ND2 2.9Å; N438-N506 VanDerWaalsContact OD1-ND2 3.13Å
439L98.8Very high98.3Very high0 Ų027.5 Ų27.50%015%0.149CC..Iπ-helixtrans-60.4-53.9-176.9176.761000112.2E434 L435 N441 F442 V443 L499 A502 L541 I545 F597E434-L439 PolarHBondContact O-N 3.22Å; L435-L439 HydrophobicContact CD2-CD2 4.37Å; L439-N441 VanDerWaalsContact C-N 3.35Å; L439-N441 PolarHBondContact O-N 3.25Å; L439-F442 PolarHBondContact O-N 3.2Å; L439-V443 HydrophobicContact CD1-CG2 4.14Å; L439-V443 WeakPolarHBondContact O-CG2 3.3Å; L439-V443 PolarHBondContact O-N 3.33Å; L439-L499 HydrophobicContact CB-CD2 4.44Å; L439-A502 HydrophobicContact CB-CB 4.33Å; L439-A502 HydrophobicContact CD1-CB 4.09Å; L439-L541 HydrophobicContact CD1-CB 4.3Å; L439-L541 HydrophobicContact CD1-CD1 4.05Å; L439-L541 HydrophobicContact CD1-CD2 4.28Å; L439-L541 HydrophobicContact CD1-CG 4.48Å; L439-I545 HydrophobicContact CD2-CD1 4.23Å; L439-I545 HydrophobicContact CD2-CG1 4.13Å; L439-F597 HydrophobicContact CB-CE2 4.4Å; L439-F597 HydrophobicContact CD2-CE2 4.2Å; L439-F597 HydrophobicContact CD2-CZ 4.1Å; L439-F597 HydrophobicContact CG-CE2 4.22Å
440G98.6Very high98.3Very high7 Ų722.5 Ų22.57%0.07212%0.123CC..Iπ-helixtrans-61.9-41.8-179.900000112.4L435 N444L435-G440 WeakPolarHBondContact O-CA 3.46Å; L435-G440 PolarHBondContact O-N 3.42Å; G440-N444 WeakPolarHBondContact O-CB 3.4Å; G440-N444 PolarHBondContact O-N 3.24Å
441N98.3Very high98.3Very high59 Ų5924.2 Ų24.232%0.31614%0.135SC..Hα-helixtrans-62.2-46.6176.6-175.163.8000112.1L436 N437 N438 L439 R445 N506L436-N441 PolarHBondContact O-N 2.95Å; L436-N441 VanDerWaalsContact O-N 3.12Å; N437-N441 WeakPolarHBondContact O-CB 3.35Å; N438-N441 PolarHBondContact O-N 3.15Å; L439-N441 VanDerWaalsContact C-N 3.35Å; L439-N441 PolarHBondContact O-N 3.25Å; N441-R445 VanDerWaalsContact O-CB 3.32Å; N441-R445 WeakPolarHBondContact O-CB 3.23Å; N441-R445 VanDerWaalsContact O-CG 3.23Å; N441-R445 WeakPolarHBondContact O-CG 3.36Å; N441-R445 PolarHBondContact O-N 3.38Å; N441-N506 PolarHBondContact ND2-OD1 3.19Å
442F98.6Very high98.2Very high0 Ų031.6 Ų31.60%016%0.163CC..Hα-helixtrans-63.9-50.7-179.8177.1-112000111.7N438 L439 N444 R445 S446 A502 G505 A534 I537 A538 L541N438-F442 PolarHBondContact O-N 3.41Å; L439-F442 PolarHBondContact O-N 3.2Å; F442-N444 PolarHBondContact O-N 2.87Å; F442-R445 PolarHBondContact O-N 2.81Å; F442-S446 WeakPolarHBondContact CE2-OG 3.19Å; F442-S446 WeakPolarHBondContact O-CB 3.48Å; F442-S446 PolarHBondContact O-N 3.2Å; F442-S446 PolarHBondContact O-OG 2.96Å; F442-A502 HydrophobicContact CB-CB 4.5Å; F442-G505 WeakPolarHBondContact CE2-O 3.32Å; F442-A534 HydrophobicContact CE2-CB 4.15Å; F442-A534 HydrophobicContact CZ-CB 4.16Å; F442-I537 HydrophobicContact CE1-CB 4.2Å; F442-I537 HydrophobicContact CE1-CG2 3.92Å; F442-I537 HydrophobicContact CZ-CB 4.14Å; F442-I537 HydrophobicContact CZ-CG2 4.15Å; F442-A538 HydrophobicContact CE1-CB 4.27Å; F442-L541 HydrophobicContact CD1-CD1 3.47Å; F442-L541 VanDerWaalsContact CD1-CD1 3.47Å; F442-L541 HydrophobicContact CE1-CD1 3.68Å
443V98.7Very high98.1Very high0 Ų032.3 Ų32.30%017%0.165CC..Hα-helixtrans-61.6-48.1-179.2174.30000110.6L439 R445 S446 L447 A538 L541 I556 L596L439-V443 HydrophobicContact CD1-CG2 4.14Å; L439-V443 WeakPolarHBondContact O-CG2 3.3Å; L439-V443 PolarHBondContact O-N 3.33Å; V443-R445 PolarHBondContact O-N 3.34Å; V443-S446 PolarHBondContact O-N 2.73Å; V443-L447 HydrophobicContact CG1-CD1 3.92Å; V443-L447 WeakPolarHBondContact O-CG 3.47Å; V443-L447 PolarHBondContact O-N 2.86Å; V443-A538 HydrophobicContact CB-CB 4.41Å; V443-A538 HydrophobicContact CG1-CB 4.31Å; V443-A538 HydrophobicContact CG2-CB 4.18Å; V443-L541 HydrophobicContact CG2-CD1 4.49Å; V443-I556 HydrophobicContact CG1-CD1 4.29Å; V443-I556 HydrophobicContact CG1-CG1 4.09Å; V443-I556 HydrophobicContact CG1-CG2 4.14Å; V443-I556 HydrophobicContact CG2-CD1 4.26Å; V443-L596 HydrophobicContact CB-CD1 3.97Å; V443-L596 HydrophobicContact CG1-CD1 3.83Å; V443-L596 HydrophobicContact CG2-CD1 4.44Å
444N98.1Very high98Very high48 Ų4831.9 Ų31.926%0.25716%0.158SC..Hα-helixtrans-61.8-46-179.8-174.629.3000111.6G440 F442 S446 S448G440-N444 WeakPolarHBondContact O-CB 3.4Å; G440-N444 PolarHBondContact O-N 3.24Å; F442-N444 PolarHBondContact O-N 2.87Å; N444-S446 PolarHBondContact O-N 3.12Å; N444-S448 WeakPolarHBondContact O-CB 3.23Å; N444-S448 PolarHBondContact O-N 2.95Å; N444-S448 PolarHBondContact O-OG 2.94Å
445R97.2Very high97.9Very high43 Ų4336.9 Ų36.916%0.16219%0.185CC..Hα-helixtrans-62.8-43.9178.2-74.3177.671.9-175.311.1112N441 F442 V443 S448 F449 F509N441-R445 VanDerWaalsContact O-CB 3.32Å; N441-R445 WeakPolarHBondContact O-CB 3.23Å; N441-R445 VanDerWaalsContact O-CG 3.23Å; N441-R445 WeakPolarHBondContact O-CG 3.36Å; N441-R445 PolarHBondContact O-N 3.38Å; F442-R445 PolarHBondContact O-N 2.81Å; V443-R445 PolarHBondContact O-N 3.34Å; R445-S448 PolarHBondContact O-OG 3.47Å; R445-F449 VanDerWaalsContact O-CB 3.24Å; R445-F449 WeakPolarHBondContact O-CB 3.46Å; R445-F449 WeakPolarHBondContact O-CD1 3.42Å; R445-F449 WeakPolarHBondContact O-CG 3.39Å; R445-F449 PolarHBondContact O-N 2.75Å; R445-F449 VanDerWaalsContact O-N 3.15Å; R445-F509 HydrophobicContact CB-CD1 4.37Å; R445-F509 HydrophobicContact CB-CE1 4.02Å
446S97.9Very high97.9Very high0 Ų037.8 Ų37.80%019%0.191CC..Hα-helixtrans-60.3-51.3-178.7-57.30000111F442 V443 N444 V450F442-S446 WeakPolarHBondContact CE2-OG 3.19Å; F442-S446 WeakPolarHBondContact O-CB 3.48Å; F442-S446 PolarHBondContact O-N 3.2Å; F442-S446 PolarHBondContact O-OG 2.96Å; V443-S446 PolarHBondContact O-N 2.73Å; N444-S446 PolarHBondContact O-N 3.12Å; S446-V450 WeakPolarHBondContact O-CG2 3.18Å; S446-V450 PolarHBondContact O-N 3.34Å
447L98.4Very high97.9Very high0 Ų039.1 Ų39.10%020%0.198CC..Hα-helixtrans-78.1-40.5-176.4-58.8-179.9000112.9V443 F449 V450 S451 A535 A538 Q560 I590 P593V443-L447 HydrophobicContact CG1-CD1 3.92Å; V443-L447 WeakPolarHBondContact O-CG 3.47Å; V443-L447 PolarHBondContact O-N 2.86Å; L447-F449 PolarHBondContact O-N 3.05Å; L447-V450 WeakPolarHBondContact O-CB 3.33Å; L447-V450 PolarHBondContact O-N 2.81Å; L447-S451 PolarHBondContact O-N 2.86Å; L447-A535 HydrophobicContact CD2-CB 4.09Å; L447-A538 HydrophobicContact CG-CB 4.46Å; L447-Q560 HydrophobicContact CD1-CB 3.66Å; L447-I590 HydrophobicContact CB-CD1 4.24Å; L447-I590 HydrophobicContact CD2-CD1 4.43Å; L447-I590 WeakPolarHBondContact O-CD1 3.43Å; L447-P593 VanDerWaalsContact C-CG 3.48Å; L447-P593 HydrophobicContact CB-CB 3.94Å; L447-P593 HydrophobicContact CB-CG 3.88Å; L447-P593 WeakPolarHBondContact O-CG 3.31Å
448S97.8Very high97.9Very high34 Ų3434.1 Ų34.124%0.23817%0.171CC..Hα-helixtrans-62.4-28.1177.165.30000112.7N444 R445 S451 R452N444-S448 WeakPolarHBondContact O-CB 3.23Å; N444-S448 PolarHBondContact O-N 2.95Å; N444-S448 PolarHBondContact O-OG 2.94Å; R445-S448 PolarHBondContact O-OG 3.47Å; S448-S451 PolarHBondContact O-N 2.92Å; S448-R452 WeakPolarHBondContact O-CB 3.43Å; S448-R452 PolarHBondContact O-N 3.49Å
449F97.6Very high97.8Very high19 Ų1934.4 Ų34.48%0.08317%0.174CC..Hα-helixtrans-77-36.1178.4-79.928.7000112.1R445 L447 S451 F453 F509 P514 W515 I531R445-F449 VanDerWaalsContact O-CB 3.24Å; R445-F449 WeakPolarHBondContact O-CB 3.46Å; R445-F449 WeakPolarHBondContact O-CD1 3.42Å; R445-F449 WeakPolarHBondContact O-CG 3.39Å; R445-F449 PolarHBondContact O-N 2.75Å; R445-F449 VanDerWaalsContact O-N 3.15Å; L447-F449 PolarHBondContact O-N 3.05Å; F449-S451 VanDerWaalsContact C-N 3.33Å; F449-F453 HydrophobicContact CB-CD2 3.92Å; F449-F453 HydrophobicContact CB-CE2 4.21Å; F449-F453 HydrophobicContact CD1-CE2 4.12Å; F449-F453 HydrophobicContact CD2-CD2 4.14Å; F449-F453 AromaticContact CD2-CE2 3.7Å; F449-F453 HydrophobicContact CD2-CE2 3.7Å; F449-F453 HydrophobicContact CE1-CE2 4.44Å; F449-F453 HydrophobicContact CE2-CE2 4.05Å; F449-F453 AromaticContact CG-CD2 3.98Å; F449-F453 HydrophobicContact CG-CD2 3.98Å; F449-F453 AromaticContact CG-CE2 3.75Å; F449-F453 HydrophobicContact CG-CE2 3.75Å; F449-F453 HydrophobicContact CZ-CE2 4.41Å; F449-F453 WeakPolarHBondContact O-CB 3.49Å; F449-F453 WeakPolarHBondContact O-CD2 3.36Å; F449-F453 PolarHBondContact O-N 3.44Å; F449-F509 HydrophobicContact CB-CZ 4.32Å; F449-F509 AromaticContact CD2-CE1 3.38Å; F449-F509 HydrophobicContact CD2-CE1 3.38Å; F449-F509 AromaticContact CD2-CZ 3.57Å; F449-F509 HydrophobicContact CD2-CZ 3.57Å; F449-F509 HydrophobicContact CE2-CD1 4.35Å; F449-F509 AromaticContact CE2-CE1 3.4Å; F449-F509 HydrophobicContact CE2-CE1 3.4Å; F449-F509 HydrophobicContact CE2-CZ 4.09Å; F449-F509 HydrophobicContact CG-CE1 4.1Å; F449-F509 HydrophobicContact CG-CZ 4.1Å; F449-F509 HydrophobicContact CZ-CE1 4.14Å; F449-P514 HydrophobicContact CD2-CG 4.37Å; F449-P514 HydrophobicContact CE2-CG 4.38Å; F449-W515 HydrophobicContact CE2-CB 3.61Å; F449-W515 HydrophobicContact CE2-CD2 4.5Å; F449-W515 HydrophobicContact CE2-CE3 4.01Å; F449-W515 HydrophobicContact CE2-CG 4.41Å; F449-W515 HydrophobicContact CZ-CB 3.87Å; F449-W515 HydrophobicContact CZ-CE3 4.46Å; F449-I531 HydrophobicContact CB-CD1 3.93Å; F449-I531 HydrophobicContact CB-CG1 4.11Å; F449-I531 HydrophobicContact CB-CG2 4.28Å; F449-I531 HydrophobicContact CD2-CD1 4.15Å; F449-I531 HydrophobicContact CD2-CG1 4.37Å
450V98.1Very high97.6Very high0 Ų037.7 Ų37.70%020%0.197CC..Hα-helixtrans-57.3-51.2167.5179.10000109.3S446 L447 R452 F454 N455 S456 I458 I531 A535 I590S446-V450 WeakPolarHBondContact O-CG2 3.18Å; S446-V450 PolarHBondContact O-N 3.34Å; L447-V450 WeakPolarHBondContact O-CB 3.33Å; L447-V450 PolarHBondContact O-N 2.81Å; V450-R452 PolarHBondContact O-N 2.96Å; V450-F454 CarbonylContact O-C 3.03Å; V450-F454 VanDerWaalsContact O-C 3.32Å; V450-F454 WeakPolarHBondContact O-CA 3.25Å; V450-F454 PolarHBondContact O-N 2.93Å; V450-N455 PolarHBondContact O-N 3.33Å; V450-S456 PolarHBondContact O-N 2.91Å; V450-I458 HydrophobicContact CG1-CD1 4Å; V450-I458 HydrophobicContact CG2-CD1 3.9Å; V450-I531 HydrophobicContact CB-CG2 4.34Å; V450-I531 HydrophobicContact CG2-CG2 3.42Å; V450-I531 VanDerWaalsContact CG2-CG2 3.42Å; V450-A535 HydrophobicContact CG2-CB 3.86Å; V450-I590 HydrophobicContact CB-CD1 3.7Å; V450-I590 HydrophobicContact CB-CG1 4.43Å; V450-I590 HydrophobicContact CG1-CD1 3.72Å; V450-I590 HydrophobicContact CG1-CG1 3.9Å
451S97.7Very high97.4Very high41 Ų4138 Ų3829%0.28720%0.196SC..Hα-helixtrans-59.1-49.8-179.7-171.80000112.6L447 S448 F449 N455 S456L447-S451 PolarHBondContact O-N 2.86Å; S448-S451 PolarHBondContact O-N 2.92Å; F449-S451 VanDerWaalsContact C-N 3.33Å; S451-N455 WeakPolarHBondContact O-CA 3.34Å; S451-N455 PolarHBondContact O-N 2.98Å; S451-S456 WeakPolarHBondContact CA-OG 3.44Å; S451-S456 PolarHBondContact O-N 3.17Å; S451-S456 PolarHBondContact OG-OG 2.98Å
452R97Very high96.9Very high159 Ų15939.1 Ų39.160%0.621%0.206SC*.Hα-helixtrans-75.3-38.6-172.9-179.1178.4130-179.92.7114.2S448 V450S448-R452 WeakPolarHBondContact O-CB 3.43Å; S448-R452 PolarHBondContact O-N 3.49Å; V450-R452 PolarHBondContact O-N 2.96Å
453F96.6Very high96.5Very high39 Ų3946.6 Ų46.617%0.17124%0.238CC..Hα-helixtrans-103.9-19.5-171.1-61.7-59.1000113.9F449 W515 V518 I531F449-F453 HydrophobicContact CB-CD2 3.92Å; F449-F453 HydrophobicContact CB-CE2 4.21Å; F449-F453 HydrophobicContact CD1-CE2 4.12Å; F449-F453 HydrophobicContact CD2-CD2 4.14Å; F449-F453 AromaticContact CD2-CE2 3.7Å; F449-F453 HydrophobicContact CD2-CE2 3.7Å; F449-F453 HydrophobicContact CE1-CE2 4.44Å; F449-F453 HydrophobicContact CE2-CE2 4.05Å; F449-F453 AromaticContact CG-CD2 3.98Å; F449-F453 HydrophobicContact CG-CD2 3.98Å; F449-F453 AromaticContact CG-CE2 3.75Å; F449-F453 HydrophobicContact CG-CE2 3.75Å; F449-F453 HydrophobicContact CZ-CE2 4.41Å; F449-F453 WeakPolarHBondContact O-CB 3.49Å; F449-F453 WeakPolarHBondContact O-CD2 3.36Å; F449-F453 PolarHBondContact O-N 3.44Å; F453-W515 HydrophobicContact CZ-CB 4.41Å; F453-V518 HydrophobicContact CB-CG2 3.86Å; F453-V518 HydrophobicContact CD1-CG1 3.7Å; F453-V518 HydrophobicContact CD1-CG2 4.18Å; F453-V518 HydrophobicContact CD2-CG1 4.16Å; F453-V518 HydrophobicContact CE1-CG1 3.58Å; F453-V518 HydrophobicContact CE2-CG1 4.06Å; F453-V518 HydrophobicContact CG-CG1 3.97Å; F453-V518 HydrophobicContact CG-CG2 4.01Å; F453-V518 HydrophobicContact CZ-CG1 3.74Å; F453-I531 HydrophobicContact CD2-CD1 4.27Å
454F96.5Very high96.4Very high36 Ų3647.6 Ų47.616%0.15824%0.243CC..Hα-helixtrans-131.123.6-175.5-60.3-85.9000112.2V450 S456 I457 P459 V518 I531V450-F454 CarbonylContact O-C 3.03Å; V450-F454 VanDerWaalsContact O-C 3.32Å; V450-F454 WeakPolarHBondContact O-CA 3.25Å; V450-F454 PolarHBondContact O-N 2.93Å; F454-S456 VanDerWaalsContact C-N 3.26Å; F454-S456 PolarHBondContact O-N 2.72Å; F454-I457 WeakPolarHBondContact CB-O 3.31Å; F454-I457 WeakPolarHBondContact O-CB 3.24Å; F454-I457 PolarHBondContact O-N 3.11Å; F454-P459 HydrophobicContact CB-CG 4.02Å; F454-P459 HydrophobicContact CD1-CB 4.13Å; F454-P459 HydrophobicContact CD1-CG 3.62Å; F454-P459 HydrophobicContact CD2-CG 3.63Å; F454-P459 HydrophobicContact CE1-CB 4.18Å; F454-P459 HydrophobicContact CE1-CG 3.91Å; F454-P459 HydrophobicContact CE2-CG 3.93Å; F454-P459 HydrophobicContact CG-CB 4.46Å; F454-P459 HydrophobicContact CG-CG 3.48Å; F454-P459 VanDerWaalsContact CG-CG 3.48Å; F454-P459 HydrophobicContact CZ-CG 4.06Å; F454-V518 HydrophobicContact CE2-CG2 4.17Å; F454-V518 HydrophobicContact CZ-CG2 4.05Å; F454-I531 HydrophobicContact CD2-CD1 4.35Å; F454-I531 HydrophobicContact CE2-CD1 3.66Å
455N96.9Very high96.3Very high129 Ų12949.4 Ų49.469%0.6925%0.25SS*.THydrogen-bonded Turntrans53.341.3174.9-56.8-35.9000113.4V450 S451 I457V450-N455 PolarHBondContact O-N 3.33Å; S451-N455 WeakPolarHBondContact O-CA 3.34Å; S451-N455 PolarHBondContact O-N 2.98Å; N455-I457 PolarHBondContact O-N 3.32Å
456S98Very high96.2Very high18 Ų1851.9 Ų51.913%0.12627%0.272CS..THydrogen-bonded Turntrans63.915.7-178.2-56.70000114.6V450 S451 F454 H589 I590V450-S456 PolarHBondContact O-N 2.91Å; S451-S456 WeakPolarHBondContact CA-OG 3.44Å; S451-S456 PolarHBondContact O-N 3.17Å; S451-S456 PolarHBondContact OG-OG 2.98Å; F454-S456 VanDerWaalsContact C-N 3.26Å; F454-S456 PolarHBondContact O-N 2.72Å; S456-H589 CarbonylContact O-C 3.48Å; S456-H589 WeakPolarHBondContact O-CA 3.3Å; S456-I590 WeakPolarHBondContact O-CG1 3.24Å; S456-I590 PolarHBondContact O-N 2.92Å
457I98.5Very high96.1Very high75 Ų7554.5 Ų54.539%0.38529%0.288SS..BIsolated β-bridgetrans-105.9128.6176.6-61.5170.1000109F454 N455 P459 H588F454-I457 WeakPolarHBondContact CB-O 3.31Å; F454-I457 WeakPolarHBondContact O-CB 3.24Å; F454-I457 PolarHBondContact O-N 3.11Å; N455-I457 PolarHBondContact O-N 3.32Å; I457-P459 WeakPolarHBondContact O-CD 3.37Å; I457-H588 WeakPolarHBondContact CA-O 3.12Å
458I97.9Very high96Very high1 Ų154.5 Ų54.51%0.00529%0.288CS..PPolyproline II helixtrans-62119.4176.9-66.4-70.6000109.5V450 S532 A535 L584 G587 H588 I590V450-I458 HydrophobicContact CG1-CD1 4Å; V450-I458 HydrophobicContact CG2-CD1 3.9Å; I458-S532 VanDerWaalsContact CG2-OG 3.3Å; I458-S532 WeakPolarHBondContact CG2-OG 3.27Å; I458-A535 HydrophobicContact CD1-CB 3.76Å; I458-L584 HydrophobicContact CD1-CB 4.19Å; I458-L584 HydrophobicContact CD1-CD1 3.85Å; I458-L584 HydrophobicContact CG1-CB 4.03Å; I458-L584 HydrophobicContact CG1-CD1 4.44Å; I458-G587 PolarHBondContact O-N 3.44Å; I458-H588 HydrophobicContact CB-CB 4.27Å; I458-H588 HydrophobicContact CG1-CB 4.02Å; I458-H588 WeakPolarHBondContact CG1-O 3.31Å; I458-H588 PolarHBondContact N-O 3.07Å; I458-I590 HydrophobicContact CD1-CG2 3.86Å; I458-I590 HydrophobicContact CG1-CG2 3.99Å
459P96.4Very high96Very high15 Ų1553.9 Ų53.910%0.09728%0.283CS..PPolyproline II helixtrans-65.8145.4179.1-18.731.7000111.5F454 I457 S532F454-P459 HydrophobicContact CB-CG 4.02Å; F454-P459 HydrophobicContact CD1-CB 4.13Å; F454-P459 HydrophobicContact CD1-CG 3.62Å; F454-P459 HydrophobicContact CD2-CG 3.63Å; F454-P459 HydrophobicContact CE1-CB 4.18Å; F454-P459 HydrophobicContact CE1-CG 3.91Å; F454-P459 HydrophobicContact CE2-CG 3.93Å; F454-P459 HydrophobicContact CG-CB 4.46Å; F454-P459 HydrophobicContact CG-CG 3.48Å; F454-P459 VanDerWaalsContact CG-CG 3.48Å; F454-P459 HydrophobicContact CZ-CG 4.06Å; I457-P459 WeakPolarHBondContact O-CD 3.37Å; P459-S532 WeakPolarHBondContact O-CB 3.04Å; P459-S532 PolarHBondContact O-OG 2.83Å
460S94.8Very high95.9Very high69 Ų6956.2 Ų56.248%0.48329%0.294SS..PPolyproline II helixtrans-63.5137.9174.9-63.20000112.4T462 D586S460-T462 PolarHBondContact O-N 3.41Å; S460-D586 VanDerWaalsContact CA-CG 3.49Å; S460-D586 WeakPolarHBondContact CA-OD2 3.45Å; S460-D586 WeakPolarHBondContact CB-OD2 3.3Å; S460-D586 PolarHBondContact OG-OD2 2.9Å
461I93.9Very high95.8Very high12 Ų1256.7 Ų56.76%0.06230%0.296CS..  trans-88.994.8172.6-59.8178.2000108.3F24 L25 L464 V529 S532 V533F24-I461 HydrophobicContact CD1-CD1 4.3Å; F24-I461 HydrophobicContact CE1-CD1 3.62Å; L25-I461 HydrophobicContact CD2-CB 4.26Å; L25-I461 HydrophobicContact CD2-CG2 3.72Å; I461-L464 HydrophobicContact CG2-CD2 3.71Å; I461-L464 HydrophobicContact CG2-CG 3.91Å; I461-V529 HydrophobicContact CG2-CG1 4.17Å; I461-S532 WeakPolarHBondContact CG1-OG 3.46Å; I461-V533 HydrophobicContact CD1-CG2 4.15Å
462T87.2Confident95.8Very high84 Ų8454.8 Ų54.852%0.51528%0.282SS..  trans-76-40.3-179.254.10000112.4S460 E525S460-T462 PolarHBondContact O-N 3.41Å; T462-E525 WeakPolarHBondContact CB-OE1 3.41Å; T462-E525 HydrophobicContact CG2-CG 4.42Å; T462-E525 VanDerWaalsContact CG2-OE1 3.24Å; T462-E525 WeakPolarHBondContact CG2-OE1 3.36Å; T462-E525 PolarHBondContact OG1-OE1 2.82Å
463K92.3Very high95.8Very high156 Ų15647.3 Ų47.368%0.67826%0.255SS*.  trans-155.3131.7177.1-174.8177.8179.1-175.90110.7
464L96.2Very high95.9Very high22 Ų2247.1 Ų47.112%0.11525%0.253CS..  trans-82.9131.2166.7-64.9172.5000109.4F24 L25 I461 D468 T469 L472 V529 V533F24-L464 HydrophobicContact CD1-CD1 4.38Å; L25-L464 HydrophobicContact CD1-CD1 4.45Å; L25-L464 HydrophobicContact CD2-CD1 4.2Å; L25-L464 HydrophobicContact CD2-CG 4.44Å; L25-L464 HydrophobicContact CG-CD1 4.09Å; I461-L464 HydrophobicContact CG2-CD2 3.71Å; I461-L464 HydrophobicContact CG2-CG 3.91Å; L464-D468 HydrophobicContact CB-CB 4.23Å; L464-D468 HydrophobicContact CD2-CB 3.77Å; L464-T469 HydrophobicContact CB-CG2 3.97Å; L464-T469 HydrophobicContact CD1-CG2 4.36Å; L464-L472 HydrophobicContact CD1-CD1 4.07Å; L464-L472 HydrophobicContact CD2-CD1 4.41Å; L464-V529 HydrophobicContact CD2-CG1 4.14Å; L464-V533 HydrophobicContact CD2-CG2 3.86Å
465E95.8Very high96Very high85 Ų8545.4 Ų45.440%0.39725%0.245SC..  trans-88.5162.2170.7-71-177.8173.600110.4V467 D468 T469 R526E465-V467 HydrophobicContact CB-CG1 4.21Å; E465-V467 PolarHBondContact O-N 3.26Å; E465-V467 VanDerWaalsContact O-N 3.07Å; E465-D468 PolarHBondContact N-OD2 2.94Å; E465-D468 WeakPolarHBondContact O-CA 3.44Å; E465-D468 WeakPolarHBondContact O-CB 3.43Å; E465-D468 PolarHBondContact O-N 2.88Å; E465-T469 PolarHBondContact O-N 2.88Å; E465-T469 VanDerWaalsContact O-N 3.15Å; E465-R526 WeakPolarHBondContact OE1-CD 3.47Å; E465-R526 IonicContact OE1-NE 2.71Å; E465-R526 IonicContact OE2-CZ 2.72Å; E465-R526 IonicContact OE2-NE 3.13Å; E465-R526 PolarHBondContact OE2-NE 3.37Å; E465-R526 IonicContact OE2-NH2 3.29Å
466P94.9Very high96Very high96 Ų9639.9 Ų39.962%0.62322%0.216SC*.Hα-helixtrans-51.3-35.5179-30.336.8000114.3Q17 D468 T469 E470Q17-P466 PolarHBondContact OE1-O 3.5Å; P466-D468 VanDerWaalsContact C-N 3.27Å; P466-D468 PolarHBondContact O-N 3.39Å; P466-T469 WeakPolarHBondContact CA-OG1 3.31Å; P466-T469 PolarHBondContact O-N 2.93Å; P466-T469 PolarHBondContact O-OG1 2.96Å; P466-E470 VanDerWaalsContact O-CB 3.27Å; P466-E470 WeakPolarHBondContact O-CB 3.31Å; P466-E470 PolarHBondContact O-N 3.04Å
467V95Very high96Very high55 Ų5542.8 Ų42.833%0.33323%0.226SC..Hα-helixtrans-64.5-30.8176.268.20000112.9E465 F471E465-V467 HydrophobicContact CB-CG1 4.21Å; E465-V467 PolarHBondContact O-N 3.26Å; E465-V467 VanDerWaalsContact O-N 3.07Å; V467-F471 VanDerWaalsContact O-CB 3.29Å; V467-F471 WeakPolarHBondContact O-CB 3.39Å; V467-F471 PolarHBondContact O-N 3.41Å; V467-F471 VanDerWaalsContact O-N 3.15Å
468D96.8Very high95.9Very high0 Ų039.7 Ų39.70%021%0.21CC..Hα-helixtrans-77-44.8177.5-52.4-40.4000110.6L464 E465 P466 F471 L472 Y508 R526L464-D468 HydrophobicContact CB-CB 4.23Å; L464-D468 HydrophobicContact CD2-CB 3.77Å; E465-D468 PolarHBondContact N-OD2 2.94Å; E465-D468 WeakPolarHBondContact O-CA 3.44Å; E465-D468 WeakPolarHBondContact O-CB 3.43Å; E465-D468 PolarHBondContact O-N 2.88Å; P466-D468 VanDerWaalsContact C-N 3.27Å; P466-D468 PolarHBondContact O-N 3.39Å; D468-F471 PolarHBondContact O-N 2.86Å; D468-L472 WeakPolarHBondContact O-CB 3.26Å; D468-L472 VanDerWaalsContact O-CG 3.26Å; D468-L472 WeakPolarHBondContact O-CG 3.09Å; D468-L472 PolarHBondContact O-N 3.29Å; D468-Y508 WeakPolarHBondContact OD1-CE2 3.5Å; D468-Y508 PolarHBondContact OD1-OH 3.37Å; D468-R526 VanDerWaalsContact CG-NH1 3.31Å; D468-R526 IonicContact OD1-CZ 3.72Å; D468-R526 IonicContact OD1-NH1 3.41Å; D468-R526 PolarHBondContact OD1-NH1 3.16Å; D468-R526 VanDerWaalsContact OD1-NH1 3.13Å; D468-R526 IonicContact OD1-NH2 2.81Å; D468-R526 PolarHBondContact OD1-NH2 2.97Å; D468-R526 IonicContact OD2-CZ 3.77Å; D468-R526 VanDerWaalsContact OD2-CZ 3.29Å; D468-R526 IonicContact OD2-NH1 3.9Å; D468-R526 PolarHBondContact OD2-NH1 2.81Å; D468-R526 IonicContact OD2-NH2 3.63Å; D468-R526 PolarHBondContact OD2-NH2 3.25Å
469T96.9Very high95.9Very high21 Ų2139.7 Ų39.713%0.12921%0.21CC..Hα-helixtrans-67.6-36.9179.252.20000111.8Q17 L464 E465 P466 A473Q17-T469 WeakPolarHBondContact O-CB 3.47Å; Q17-T469 PolarHBondContact OE1-OG1 2.97Å; L464-T469 HydrophobicContact CB-CG2 3.97Å; L464-T469 HydrophobicContact CD1-CG2 4.36Å; E465-T469 PolarHBondContact O-N 2.88Å; E465-T469 VanDerWaalsContact O-N 3.15Å; P466-T469 WeakPolarHBondContact CA-OG1 3.31Å; P466-T469 PolarHBondContact O-N 2.93Å; P466-T469 PolarHBondContact O-OG1 2.96Å; T469-A473 VanDerWaalsContact O-CB 3.25Å; T469-A473 WeakPolarHBondContact O-CB 3.47Å; T469-A473 PolarHBondContact O-N 3.01Å
470E96.2Very high96Very high68 Ų6840.3 Ų40.332%0.31822%0.217SC..Hα-helixtrans-63.8-46.1171.5-169.7-170.8161.400111.4Q17 P466 A473 R474Q17-E470 HydrophobicContact CG-CB 4.45Å; P466-E470 VanDerWaalsContact O-CB 3.27Å; P466-E470 WeakPolarHBondContact O-CB 3.31Å; P466-E470 PolarHBondContact O-N 3.04Å; E470-A473 PolarHBondContact O-N 2.91Å; E470-R474 WeakPolarHBondContact O-CG 3.44Å; E470-R474 PolarHBondContact O-N 3.49Å; E470-R474 IonicContact OE1-CZ 2.69Å; E470-R474 IonicContact OE1-NE 3.98Å; E470-R474 PolarHBondContact OE1-NE 3.39Å; E470-R474 VanDerWaalsContact OE1-NE 3.14Å; E470-R474 IonicContact OE1-NH2 2.8Å; E470-R474 PolarHBondContact OE1-NH2 2.83Å
471F96.8Very high96.1Very high9 Ų940 Ų404%0.03921%0.212CC..Hα-helixtrans-58.1-50.7176.1169.7-114.7000111.2V467 D468 A473 R474 I475 L504 Y508 V533 I537V467-F471 VanDerWaalsContact O-CB 3.29Å; V467-F471 WeakPolarHBondContact O-CB 3.39Å; V467-F471 PolarHBondContact O-N 3.41Å; V467-F471 VanDerWaalsContact O-N 3.15Å; D468-F471 PolarHBondContact O-N 2.86Å; F471-A473 VanDerWaalsContact C-N 3.34Å; F471-A473 PolarHBondContact O-N 3.19Å; F471-R474 PolarHBondContact O-N 3.13Å; F471-I475 HydrophobicContact CD2-CG1 4.27Å; F471-I475 HydrophobicContact CE1-CG1 4.25Å; F471-I475 HydrophobicContact CE2-CD1 3.84Å; F471-I475 HydrophobicContact CE2-CG1 3.85Å; F471-I475 HydrophobicContact CZ-CD1 3.94Å; F471-I475 HydrophobicContact CZ-CG1 3.84Å; F471-I475 WeakPolarHBondContact O-CG1 3.48Å; F471-I475 PolarHBondContact O-N 3.34Å; F471-L504 HydrophobicContact CD2-CD2 3.77Å; F471-L504 HydrophobicContact CD2-CG 3.77Å; F471-L504 HydrophobicContact CE2-CB 4.33Å; F471-L504 HydrophobicContact CE2-CD2 3.83Å; F471-L504 HydrophobicContact CE2-CG 3.72Å; F471-Y508 HydrophobicContact CB-CD2 3.82Å; F471-Y508 HydrophobicContact CB-CE2 4.18Å; F471-Y508 HydrophobicContact CB-CG 4.44Å; F471-Y508 HydrophobicContact CD1-CD1 4.11Å; F471-Y508 AromaticContact CD1-CD2 3.96Å; F471-Y508 HydrophobicContact CD1-CD2 3.96Å; F471-Y508 HydrophobicContact CD1-CE1 4.3Å; F471-Y508 HydrophobicContact CD1-CE2 4.17Å; F471-Y508 AromaticContact CD1-CG 3.93Å; F471-Y508 HydrophobicContact CD1-CG 3.93Å; F471-Y508 HydrophobicContact CD2-CD2 4.29Å; F471-Y508 HydrophobicContact CD2-CG 4.09Å; F471-Y508 HydrophobicContact CE1-CD1 4.04Å; F471-Y508 HydrophobicContact CE1-CE1 4.37Å; F471-Y508 HydrophobicContact CE1-CG 4.18Å; F471-Y508 HydrophobicContact CE2-CG 4.34Å; F471-Y508 AromaticContact CG-CD2 3.75Å; F471-Y508 HydrophobicContact CG-CD2 3.75Å; F471-Y508 HydrophobicContact CG-CE2 4.28Å; F471-Y508 AromaticContact CG-CG 3.88Å; F471-Y508 HydrophobicContact CG-CG 3.88Å; F471-Y508 HydrophobicContact CZ-CD1 4.39Å; F471-Y508 HydrophobicContact CZ-CG 4.38Å; F471-V533 HydrophobicContact CD1-CG1 3.83Å; F471-V533 HydrophobicContact CE1-CG1 3.79Å; F471-I537 HydrophobicContact CE1-CG1 3.71Å; F471-I537 HydrophobicContact CZ-CG1 3.98Å; F471-I537 HydrophobicContact CZ-CG2 4.34Å
472L97.8Very high96.3Very high1 Ų139.4 Ų39.41%0.00521%0.209CC..Hα-helixtrans-60.7-41.2178.2-71.8167.4000112.1A20 F24 L464 D468 R474 I475 N476 V533 I537A20-L472 HydrophobicContact CB-CB 3.88Å; F24-L472 HydrophobicContact CB-CD1 3.88Å; F24-L472 HydrophobicContact CD1-CD1 3.63Å; F24-L472 HydrophobicContact CD1-CD2 4.21Å; F24-L472 HydrophobicContact CD2-CD1 4.31Å; F24-L472 HydrophobicContact CD2-CD2 3.61Å; F24-L472 HydrophobicContact CE1-CD1 4.22Å; F24-L472 HydrophobicContact CE1-CD2 4.3Å; F24-L472 HydrophobicContact CE2-CD2 3.72Å; F24-L472 HydrophobicContact CG-CD1 3.67Å; F24-L472 HydrophobicContact CG-CD2 3.86Å; F24-L472 HydrophobicContact CG-CG 4.41Å; F24-L472 HydrophobicContact CZ-CD2 4.06Å; L464-L472 HydrophobicContact CD1-CD1 4.07Å; L464-L472 HydrophobicContact CD2-CD1 4.41Å; D468-L472 WeakPolarHBondContact O-CB 3.26Å; D468-L472 VanDerWaalsContact O-CG 3.26Å; D468-L472 WeakPolarHBondContact O-CG 3.09Å; D468-L472 PolarHBondContact O-N 3.29Å; L472-R474 VanDerWaalsContact C-N 3.35Å; L472-R474 PolarHBondContact O-N 3.29Å; L472-I475 WeakPolarHBondContact O-CB 3.2Å; L472-I475 PolarHBondContact O-N 3.32Å; L472-N476 PolarHBondContact O-N 3.09Å; L472-N476 PolarHBondContact O-ND2 2.99Å; L472-N476 PolarHBondContact O-OD1 3.06Å; L472-V533 HydrophobicContact CD2-CG1 4.19Å; L472-V533 HydrophobicContact CG-CG1 4.43Å; L472-I537 HydrophobicContact CD2-CD1 4.08Å
473A97.5Very high96.9Very high2 Ų235.8 Ų35.82%0.01719%0.186CC..Hα-helixtrans-61.9-41.3176.500000112.2I12 D16 Q17 A20 T469 E470 F471 N476 K477I12-A473 HydrophobicContact CD1-CB 4.07Å; I12-A473 HydrophobicContact CG1-CB 4.49Å; I12-A473 HydrophobicContact CG2-CB 3.6Å; D16-A473 HydrophobicContact CB-CB 4.12Å; Q17-A473 HydrophobicContact CG-CB 4.32Å; A20-A473 HydrophobicContact CB-CB 3.94Å; T469-A473 VanDerWaalsContact O-CB 3.25Å; T469-A473 WeakPolarHBondContact O-CB 3.47Å; T469-A473 PolarHBondContact O-N 3.01Å; E470-A473 PolarHBondContact O-N 2.91Å; F471-A473 VanDerWaalsContact C-N 3.34Å; F471-A473 PolarHBondContact O-N 3.19Å; A473-N476 PolarHBondContact O-N 3.11Å; A473-K477 PolarHBondContact O-N 3.12Å; A473-K477 VanDerWaalsContact O-N 3.11Å
474R97.4Very high97.1Very high35 Ų3533.7 Ų33.713%0.13218%0.179CC..Hα-helixtrans-63.9-40.4173.6-68.2175.4-175.9-92.4-0.9111.9P7 S8 I10 I12 E470 F471 L472 N476 K477 L478 L504P7-R474 PolarHBondContact O-NH1 3.4Å; S8-R474 PolarHBondContact O-NH1 3.02Å; I10-R474 PolarHBondContact O-NH1 2.74Å; I12-R474 HydrophobicContact CD1-CB 4.46Å; I12-R474 HydrophobicContact CD1-CG 3.85Å; I12-R474 HydrophobicContact CG1-CG 3.57Å; E470-R474 WeakPolarHBondContact O-CG 3.44Å; E470-R474 PolarHBondContact O-N 3.49Å; E470-R474 IonicContact OE1-CZ 2.69Å; E470-R474 IonicContact OE1-NE 3.98Å; E470-R474 PolarHBondContact OE1-NE 3.39Å; E470-R474 VanDerWaalsContact OE1-NE 3.14Å; E470-R474 IonicContact OE1-NH2 2.8Å; E470-R474 PolarHBondContact OE1-NH2 2.83Å; F471-R474 PolarHBondContact O-N 3.13Å; L472-R474 VanDerWaalsContact C-N 3.35Å; L472-R474 PolarHBondContact O-N 3.29Å; R474-N476 VanDerWaalsContact C-N 3.34Å; R474-K477 PolarHBondContact O-N 3.29Å; R474-L478 WeakPolarHBondContact O-CG 3.34Å; R474-L478 PolarHBondContact O-N 3.49Å; R474-L504 HydrophobicContact CB-CD2 3.59Å
475I97.8Very high97.2Very high0 Ų033.4 Ų33.40%018%0.177CC..Hα-helixtrans-58.8-46.2173.5-65.8-63.3000110.7F471 L472 K477 L478 F479 I501 L504 I537 L540 V580F471-I475 HydrophobicContact CD2-CG1 4.27Å; F471-I475 HydrophobicContact CE1-CG1 4.25Å; F471-I475 HydrophobicContact CE2-CD1 3.84Å; F471-I475 HydrophobicContact CE2-CG1 3.85Å; F471-I475 HydrophobicContact CZ-CD1 3.94Å; F471-I475 HydrophobicContact CZ-CG1 3.84Å; F471-I475 WeakPolarHBondContact O-CG1 3.48Å; F471-I475 PolarHBondContact O-N 3.34Å; L472-I475 WeakPolarHBondContact O-CB 3.2Å; L472-I475 PolarHBondContact O-N 3.32Å; I475-K477 PolarHBondContact O-N 3.05Å; I475-L478 PolarHBondContact O-N 3.09Å; I475-F479 WeakPolarHBondContact O-CB 3.25Å; I475-F479 PolarHBondContact O-N 3.38Å; I475-I501 HydrophobicContact CD1-CB 4.17Å; I475-I501 HydrophobicContact CD1-CG1 4.06Å; I475-I501 HydrophobicContact CD1-CG2 3.52Å; I475-L504 HydrophobicContact CD1-CD2 3.92Å; I475-L504 HydrophobicContact CG1-CD2 4.31Å; I475-I537 HydrophobicContact CD1-CG2 4.05Å; I475-I537 HydrophobicContact CG1-CD1 4.41Å; I475-I537 HydrophobicContact CG1-CG1 4.48Å; I475-I537 HydrophobicContact CG2-CD1 4.06Å; I475-L540 HydrophobicContact CG2-CD2 4.01Å; I475-V580 HydrophobicContact CG2-CG2 4.14Å
476N97.7Very high97.3Very high14 Ų1429.3 Ų29.38%0.07516%0.158CC..Hα-helixtrans-59.9-44179.9-64.2-24.8000111.8A20 L472 A473 R474 F479 A480 T579 V580A20-N476 WeakPolarHBondContact CB-ND2 3.27Å; L472-N476 PolarHBondContact O-N 3.09Å; L472-N476 PolarHBondContact O-ND2 2.99Å; L472-N476 PolarHBondContact O-OD1 3.06Å; A473-N476 PolarHBondContact O-N 3.11Å; R474-N476 VanDerWaalsContact C-N 3.34Å; N476-F479 PolarHBondContact O-N 3.47Å; N476-A480 WeakPolarHBondContact O-CB 3.47Å; N476-A480 PolarHBondContact O-N 3.24Å; N476-T579 WeakPolarHBondContact ND2-CG2 3.46Å; N476-V580 WeakPolarHBondContact OD1-CB 3.39Å; N476-V580 WeakPolarHBondContact OD1-CG2 3.35Å; N476-V580 PolarHBondContact OD1-N 2.72Å
477K97.3Very high97.4Very high79 Ų7926.6 Ų26.634%0.34314%0.137SC..Hα-helixtrans-62.1-45.8175.4-64-58.2-164.9-163.70111.8I10 I12 D16 A473 R474 I475 F479 A480 T481I10-K477 HydrophobicContact CG2-CB 4.01Å; I10-K477 HydrophobicContact CG2-CG 4.12Å; I12-K477 HydrophobicContact CD1-CG 3.82Å; D16-K477 WeakPolarHBondContact OD1-CE 3.38Å; D16-K477 IonicContact OD1-NZ 2.85Å; D16-K477 PolarHBondContact OD1-NZ 2.86Å; D16-K477 IonicContact OD2-NZ 2.89Å; D16-K477 PolarHBondContact OD2-NZ 3.44Å; A473-K477 PolarHBondContact O-N 3.12Å; A473-K477 VanDerWaalsContact O-N 3.11Å; R474-K477 PolarHBondContact O-N 3.29Å; I475-K477 PolarHBondContact O-N 3.05Å; K477-F479 VanDerWaalsContact C-N 3.33Å; K477-F479 PolarHBondContact O-N 3.27Å; K477-A480 WeakPolarHBondContact O-CB 3.41Å; K477-A480 PolarHBondContact O-N 3.48Å; K477-T481 PolarHBondContact O-N 3Å; K477-T481 PolarHBondContact O-OG1 3.41Å; K477-T481 VanDerWaalsContact O-OG1 3.08Å
478L97.6Very high97.5Very high10 Ų1025.2 Ų25.25%0.05213%0.13CC..Hα-helixtrans-64.8-36.8178.1-74.7169.6000112.5I10 R474 I475 T481 Y482 T500 I501 L504I10-L478 HydrophobicContact CD1-CD1 3.99Å; I10-L478 HydrophobicContact CD1-CD2 3.67Å; I10-L478 HydrophobicContact CD1-CG 3.58Å; R474-L478 WeakPolarHBondContact O-CG 3.34Å; R474-L478 PolarHBondContact O-N 3.49Å; I475-L478 PolarHBondContact O-N 3.09Å; L478-T481 PolarHBondContact O-N 3.15Å; L478-Y482 WeakPolarHBondContact O-CB 3.42Å; L478-Y482 PolarHBondContact O-N 2.73Å; L478-T500 HydrophobicContact CD1-CG2 3.88Å; L478-T500 HydrophobicContact CD2-CG2 3.77Å; L478-I501 HydrophobicContact CB-CD1 3.88Å; L478-I501 HydrophobicContact CB-CG1 3.64Å; L478-I501 HydrophobicContact CD1-CG1 3.76Å; L478-I501 HydrophobicContact CG-CG1 4.32Å; L478-L504 HydrophobicContact CD1-CD2 4.3Å
479F98Very high97.5Very high0 Ų025.3 Ų25.30%013%0.131CC..Hα-helixtrans-66.3-43.1174.4-177.6-98.3000111.1I475 N476 K477 T481 Y482 I483 L540 M544 F570 I573 F578I475-F479 WeakPolarHBondContact O-CB 3.25Å; I475-F479 PolarHBondContact O-N 3.38Å; N476-F479 PolarHBondContact O-N 3.47Å; K477-F479 VanDerWaalsContact C-N 3.33Å; K477-F479 PolarHBondContact O-N 3.27Å; F479-T481 VanDerWaalsContact C-N 3.32Å; F479-T481 PolarHBondContact O-N 2.95Å; F479-Y482 HydrophobicContact CD2-CD1 4.49Å; F479-Y482 HydrophobicContact CE2-CD1 4.37Å; F479-Y482 WeakPolarHBondContact O-CB 3.32Å; F479-Y482 PolarHBondContact O-N 3.3Å; F479-Y482 VanDerWaalsContact O-N 3.16Å; F479-I483 HydrophobicContact CD1-CG1 4.14Å; F479-I483 HydrophobicContact CE1-CD1 4.08Å; F479-I483 HydrophobicContact CE1-CG1 3.63Å; F479-I483 HydrophobicContact CE2-CD1 4.29Å; F479-I483 HydrophobicContact CE2-CG1 4.39Å; F479-I483 HydrophobicContact CZ-CD1 3.73Å; F479-I483 HydrophobicContact CZ-CG1 3.79Å; F479-I483 WeakPolarHBondContact O-CG1 3.39Å; F479-I483 PolarHBondContact O-N 3.33Å; F479-L540 HydrophobicContact CD2-CD1 4.11Å; F479-L540 HydrophobicContact CD2-CD2 4.39Å; F479-L540 HydrophobicContact CE2-CD1 3.92Å; F479-M544 HydrophobicContact CD2-CE 4Å; F479-M544 HydrophobicContact CD2-CG 4.23Å; F479-M544 HydrophobicContact CD2-SD 3.78Å; F479-M544 HydrophobicContact CE2-CG 4.14Å; F479-M544 HydrophobicContact CE2-SD 4.29Å; F479-F570 AromaticContact CE2-CD1 3.84Å; F479-F570 HydrophobicContact CE2-CD1 3.84Å; F479-F570 AromaticContact CE2-CE1 3.91Å; F479-F570 HydrophobicContact CE2-CE1 3.91Å; F479-F570 HydrophobicContact CE2-CG 4.43Å; F479-F570 HydrophobicContact CZ-CB 4.21Å; F479-F570 AromaticContact CZ-CD1 3.67Å; F479-F570 HydrophobicContact CZ-CD1 3.67Å; F479-F570 HydrophobicContact CZ-CE1 4.22Å; F479-F570 AromaticContact CZ-CG 3.96Å; F479-F570 HydrophobicContact CZ-CG 3.96Å; F479-I573 HydrophobicContact CD1-CG2 3.63Å; F479-I573 HydrophobicContact CE1-CB 3.88Å; F479-I573 HydrophobicContact CE1-CG2 3.24Å; F479-I573 HydrophobicContact CZ-CB 4.17Å; F479-I573 HydrophobicContact CZ-CD1 4.24Å; F479-I573 HydrophobicContact CZ-CG2 3.9Å; F479-F578 HydrophobicContact CD1-CB 4.1Å
480A97.8Very high97.5Very high28 Ų2828.3 Ų28.323%0.23114%0.143CC..Hα-helixtrans-58.4-43.8173.100000111.6N476 K477 I483 H484 F578N476-A480 WeakPolarHBondContact O-CB 3.47Å; N476-A480 PolarHBondContact O-N 3.24Å; K477-A480 WeakPolarHBondContact O-CB 3.41Å; K477-A480 PolarHBondContact O-N 3.48Å; A480-I483 PolarHBondContact O-N 2.97Å; A480-H484 WeakPolarHBondContact O-CB 3.45Å; A480-H484 PolarHBondContact O-N 3.45Å; A480-F578 HydrophobicContact CB-CB 3.68Å; A480-F578 HydrophobicContact CB-CD2 3.91Å; A480-F578 HydrophobicContact CB-CG 3.77Å
481T97.9Very high97.6Very high62 Ų6225 Ų2538%0.3813%0.128SC..Hα-helixtrans-63.4-40.4174.5-53.60000112.2K477 L478 F479 H484 N485 N497K477-T481 PolarHBondContact O-N 3Å; K477-T481 PolarHBondContact O-OG1 3.41Å; K477-T481 VanDerWaalsContact O-OG1 3.08Å; L478-T481 PolarHBondContact O-N 3.15Å; F479-T481 VanDerWaalsContact C-N 3.32Å; F479-T481 PolarHBondContact O-N 2.95Å; T481-H484 PolarHBondContact O-N 2.82Å; T481-N485 WeakPolarHBondContact O-CB 3.49Å; T481-N485 PolarHBondContact O-N 2.94Å; T481-N485 PolarHBondContact O-ND2 3.05Å; T481-N497 WeakPolarHBondContact CG2-ND2 3.03Å
482Y98.5Very high97.7Very high0 Ų026.1 Ų26.10%013%0.132CC..Hα-helixtrans-58.1-49.9173.8168-94.6000111.4L478 F479 H484 N485 M486 A494 N497 V498 M544 F548 F570L478-Y482 WeakPolarHBondContact O-CB 3.42Å; L478-Y482 PolarHBondContact O-N 2.73Å; F479-Y482 HydrophobicContact CD2-CD1 4.49Å; F479-Y482 HydrophobicContact CE2-CD1 4.37Å; F479-Y482 WeakPolarHBondContact O-CB 3.32Å; F479-Y482 PolarHBondContact O-N 3.3Å; F479-Y482 VanDerWaalsContact O-N 3.16Å; Y482-H484 VanDerWaalsContact C-N 3.34Å; Y482-H484 PolarHBondContact O-N 2.93Å; Y482-N485 PolarHBondContact O-N 3.49Å; Y482-M486 HydrophobicContact CD1-CG 4.35Å; Y482-M486 HydrophobicContact CD2-CG 4.33Å; Y482-M486 HydrophobicContact CE1-CG 3.91Å; Y482-M486 HydrophobicContact CE2-CG 3.89Å; Y482-M486 HydrophobicContact CE2-SD 4.21Å; Y482-M486 WeakPolarHBondContact O-CG 3.38Å; Y482-M486 PolarHBondContact O-N 3.35Å; Y482-A494 HydrophobicContact CD2-CB 3.95Å; Y482-A494 WeakPolarHBondContact CD2-O 3.23Å; Y482-A494 HydrophobicContact CE2-CB 4.03Å; Y482-N497 HydrophobicContact CD2-CB 4.48Å; Y482-V498 HydrophobicContact CD2-CG2 4Å; Y482-V498 HydrophobicContact CE2-CG2 3.84Å; Y482-M544 HydrophobicContact CD1-CE 3.74Å; Y482-M544 HydrophobicContact CD2-CE 3.69Å; Y482-M544 HydrophobicContact CE1-CE 4.33Å; Y482-M544 HydrophobicContact CE1-CG 4.4Å; Y482-M544 HydrophobicContact CE2-CE 4.28Å; Y482-M544 HydrophobicContact CG-CE 3.39Å; Y482-M544 PolarHBondContact OH-O 3.27Å; Y482-M544 VanDerWaalsContact OH-O 3.08Å; Y482-F548 AromaticContact CE2-CE2 3.78Å; Y482-F548 HydrophobicContact CE2-CE2 3.78Å; Y482-F548 HydrophobicContact CE2-CZ 4.23Å; Y482-F570 AromaticContact CE1-CE2 3.96Å; Y482-F570 HydrophobicContact CE1-CE2 3.96Å; Y482-F570 HydrophobicContact CE1-CZ 4.15Å
483I98.3Very high97.7Very high8 Ų828.2 Ų28.24%0.04114%0.143CC..Hα-helixtrans-60.4-45.3178.2-65.4-62000110.6Y82 F479 A480 N485 M486 E487 F570 I574 F578Y82-I483 HydrophobicContact CE2-CD1 3.83Å; F479-I483 HydrophobicContact CD1-CG1 4.14Å; F479-I483 HydrophobicContact CE1-CD1 4.08Å; F479-I483 HydrophobicContact CE1-CG1 3.63Å; F479-I483 HydrophobicContact CE2-CD1 4.29Å; F479-I483 HydrophobicContact CE2-CG1 4.39Å; F479-I483 HydrophobicContact CZ-CD1 3.73Å; F479-I483 HydrophobicContact CZ-CG1 3.79Å; F479-I483 WeakPolarHBondContact O-CG1 3.39Å; F479-I483 PolarHBondContact O-N 3.33Å; A480-I483 PolarHBondContact O-N 2.97Å; I483-N485 VanDerWaalsContact C-N 3.34Å; I483-N485 PolarHBondContact O-N 3.32Å; I483-M486 PolarHBondContact O-N 3.27Å; I483-E487 HydrophobicContact CG2-CG 4.38Å; I483-E487 WeakPolarHBondContact O-CG 3.43Å; I483-E487 PolarHBondContact O-N 3.22Å; I483-F570 HydrophobicContact CD1-CB 4.43Å; I483-F570 HydrophobicContact CD1-CD2 3.98Å; I483-F570 HydrophobicContact CD1-CG 4.28Å; I483-I574 HydrophobicContact CD1-CD1 4.32Å; I483-I574 HydrophobicContact CD1-CG1 4.47Å; I483-F578 HydrophobicContact CB-CD1 4.34Å; I483-F578 HydrophobicContact CB-CE1 4.23Å; I483-F578 HydrophobicContact CG1-CD1 4.24Å; I483-F578 HydrophobicContact CG1-CE1 4.49Å; I483-F578 HydrophobicContact CG2-CD1 4.39Å; I483-F578 HydrophobicContact CG2-CE1 3.83Å
484H97.6Very high97.7Very high112 Ų11228.1 Ų28.152%0.51914%0.142SC..Hα-helixtrans-58.5-44.7176.2179.472.3000112.4A480 T481 Y482 M486 E487 S488A480-H484 WeakPolarHBondContact O-CB 3.45Å; A480-H484 PolarHBondContact O-N 3.45Å; T481-H484 PolarHBondContact O-N 2.82Å; Y482-H484 VanDerWaalsContact C-N 3.34Å; Y482-H484 PolarHBondContact O-N 2.93Å; H484-M486 VanDerWaalsContact C-N 3.33Å; H484-M486 PolarHBondContact O-N 3.02Å; H484-E487 PolarHBondContact O-N 2.79Å; H484-S488 WeakPolarHBondContact O-CB 3.36Å; H484-S488 PolarHBondContact O-N 3.33Å; H484-S488 PolarHBondContact O-OG 3.45Å; H484-S488 VanDerWaalsContact O-OG 3.13Å
485N98.3Very high97.7Very high16 Ų1626.4 Ų26.49%0.08614%0.136CC..Hα-helixtrans-65.5-36177.2-77-24.8000112T481 Y482 I483 C489 H490 A494 N497T481-N485 WeakPolarHBondContact O-CB 3.49Å; T481-N485 PolarHBondContact O-N 2.94Å; T481-N485 PolarHBondContact O-ND2 3.05Å; Y482-N485 PolarHBondContact O-N 3.49Å; I483-N485 VanDerWaalsContact C-N 3.34Å; I483-N485 PolarHBondContact O-N 3.32Å; N485-C489 CarbonylContact O-C 3.42Å; N485-C489 WeakPolarHBondContact O-CA 3.06Å; N485-C489 PolarHBondContact O-N 2.88Å; N485-H490 HydrophobicContact CB-CB 4.16Å; N485-H490 PolarHBondContact O-N 3.01Å; N485-A494 HydrophobicContact CB-CB 3.83Å; N485-N497 PolarHBondContact ND2-OD1 3.46Å
486M98.3Very high97.7Very high0 Ų029 Ų290%015%0.145CC..Hα-helixtrans-68.5-46.3175.3-68.3-58.9-78.400112.1V78 F79 Y82 Y482 I483 H484 S488 C489 L491 A494 P547 F548V78-M486 HydrophobicContact CG1-CE 4.09Å; F79-M486 VanDerWaalsContact CE2-O 3.24Å; F79-M486 WeakPolarHBondContact CE2-O 3.3Å; Y82-M486 HydrophobicContact CD1-CB 3.93Å; Y82-M486 HydrophobicContact CD1-CE 4.43Å; Y82-M486 HydrophobicContact CD2-CB 3.62Å; Y82-M486 HydrophobicContact CD2-CE 3.95Å; Y82-M486 HydrophobicContact CD2-CG 3.88Å; Y82-M486 HydrophobicContact CE1-CB 3.87Å; Y82-M486 HydrophobicContact CE2-CB 3.56Å; Y82-M486 HydrophobicContact CE2-CG 4.14Å; Y82-M486 HydrophobicContact CG-CB 3.81Å; Y82-M486 HydrophobicContact CG-CE 3.62Å; Y82-M486 HydrophobicContact CG-CG 4.26Å; Y482-M486 HydrophobicContact CD1-CG 4.35Å; Y482-M486 HydrophobicContact CD2-CG 4.33Å; Y482-M486 HydrophobicContact CE1-CG 3.91Å; Y482-M486 HydrophobicContact CE2-CG 3.89Å; Y482-M486 HydrophobicContact CE2-SD 4.21Å; Y482-M486 WeakPolarHBondContact O-CG 3.38Å; Y482-M486 PolarHBondContact O-N 3.35Å; I483-M486 PolarHBondContact O-N 3.27Å; H484-M486 VanDerWaalsContact C-N 3.33Å; H484-M486 PolarHBondContact O-N 3.02Å; M486-S488 VanDerWaalsContact C-N 3.32Å; M486-S488 PolarHBondContact O-N 2.92Å; M486-C489 WeakPolarHBondContact O-CA 3.48Å; M486-C489 PolarHBondContact O-N 2.98Å; M486-L491 HydrophobicContact CE-CD2 4.14Å; M486-L491 HydrophobicContact SD-CD2 3.82Å; M486-A494 HydrophobicContact CG-CB 3.87Å; M486-A494 HydrophobicContact SD-CB 3.38Å; M486-A494 WeakPolarHBondContact SD-CB 3.28Å; M486-P547 HydrophobicContact CE-CB 4.29Å; M486-F548 HydrophobicContact CE-CE2 4.28Å; M486-F548 HydrophobicContact CE-CZ 4.04Å; M486-F548 HydrophobicContact SD-CE2 4.19Å; M486-F548 HydrophobicContact SD-CZ 3.6Å; M486-F548 VanDerWaalsContact SD-CZ 3.6Å
487E96.8Very high97.7Very high38 Ų3829.1 Ų29.118%0.17815%0.146CC..Hα-helixtrans-59-41.8175.2-72.9-64.5149.500112.3R49 Y82 Y88 I483 H484 C489R49-E487 IonicContact CZ-OE2 2.7Å; R49-E487 IonicContact NH1-OE1 3.02Å; R49-E487 IonicContact NH1-OE2 2.76Å; R49-E487 PolarHBondContact NH1-OE2 3.49Å; R49-E487 IonicContact NH2-OE2 3.17Å; Y82-E487 HydrophobicContact CE1-CG 4.47Å; Y82-E487 WeakPolarHBondContact CE1-OE1 3.41Å; Y82-E487 WeakPolarHBondContact OH-CG 3.49Å; Y82-E487 PolarHBondContact OH-OE1 3.39Å; Y88-E487 VanDerWaalsContact CE2-OE1 3.27Å; Y88-E487 WeakPolarHBondContact CE2-OE1 3.43Å; Y88-E487 VanDerWaalsContact CZ-OE1 3.32Å; Y88-E487 PolarHBondContact OH-OE1 2.79Å; I483-E487 HydrophobicContact CG2-CG 4.38Å; I483-E487 WeakPolarHBondContact O-CG 3.43Å; I483-E487 PolarHBondContact O-N 3.22Å; H484-E487 PolarHBondContact O-N 2.79Å; E487-C489 PolarHBondContact O-N 3.32Å
488S95.6Very high97.8Very high26 Ų2625.4 Ų25.418%0.18213%0.13CC..THydrogen-bonded Turntrans-80.30.3176-57.90000113.3H484 M486 H490H484-S488 WeakPolarHBondContact O-CB 3.36Å; H484-S488 PolarHBondContact O-N 3.33Å; H484-S488 PolarHBondContact O-OG 3.45Å; H484-S488 VanDerWaalsContact O-OG 3.13Å; M486-S488 VanDerWaalsContact C-N 3.32Å; M486-S488 PolarHBondContact O-N 2.92Å; S488-H490 PolarHBondContact O-CD2 3.45Å; S488-H490 PolarHBondContact O-N 2.89Å
489C96.6Very high97.9Very high3 Ų325.1 Ų25.12%0.0213%0.128CC..THydrogen-bonded Turntrans54.630-177.5-62.80000115.3F79 L371 R414 N485 M486 E487 L491F79-C489 WeakPolarHBondContact CD2-SG 3.33Å; F79-C489 WeakPolarHBondContact CE2-SG 3.3Å; L371-C489 HydrophobicContact CD1-CB 3.07Å; L371-C489 WeakPolarHBondContact CD1-SG 3.45Å; R414-C489 PolarHBondContact NH1-O 3.36Å; N485-C489 CarbonylContact O-C 3.42Å; N485-C489 WeakPolarHBondContact O-CA 3.06Å; N485-C489 PolarHBondContact O-N 2.88Å; M486-C489 WeakPolarHBondContact O-CA 3.48Å; M486-C489 PolarHBondContact O-N 2.98Å; E487-C489 PolarHBondContact O-N 3.32Å; C489-L491 PolarHBondContact O-N 2.81Å
490H97.5Very high97.9Very high83 Ų8325.6 Ų25.638%0.38413%0.131SC..  trans-79.563165.6-61.3170.9000109.5N485 S488 R492 D493 A494N485-H490 HydrophobicContact CB-CB 4.16Å; N485-H490 PolarHBondContact O-N 3.01Å; S488-H490 PolarHBondContact O-CD2 3.45Å; S488-H490 PolarHBondContact O-N 2.89Å; H490-R492 PolarHBondContact O-N 3.46Å; H490-D493 PolarHBondContact O-N 2.83Å; H490-A494 PolarHBondContact O-N 3.44Å
491L98.4Very high97.9Very high0 Ų024.2 Ų24.20%012%0.12CC..Hα-helixtrans-61.2-31.7-171-54.9-175.8000112.2V78 L411 E416 M486 C489 I495 F548V78-L491 HydrophobicContact CB-CD1 4.26Å; V78-L491 HydrophobicContact CG1-CD1 4.15Å; V78-L491 HydrophobicContact CG1-CD2 4.21Å; L411-L491 HydrophobicContact CD2-CD1 4.46Å; E416-L491 PolarHBondContact OE1-N 3.06Å; M486-L491 HydrophobicContact CE-CD2 4.14Å; M486-L491 HydrophobicContact SD-CD2 3.82Å; C489-L491 PolarHBondContact O-N 2.81Å; L491-I495 PolarHBondContact O-N 3.13Å; L491-I495 VanDerWaalsContact O-N 3.13Å; L491-F548 WeakPolarHBondContact O-CE1 3.4Å
492R98.2Very high97.9Very high32 Ų3221.3 Ų21.312%0.12110%0.102CC..Hα-helixtrans-65.7-36.8176.4-172.9-179.763.4176.33.8112.7E2 Y412 R414 E416 H490 I495 R496E2-R492 IonicContact OE2-NH2 3.57Å; Y412-R492 WeakPolarHBondContact O-CG 3.35Å; R414-R492 HydrophobicContact CB-CB 4.33Å; E416-R492 HydrophobicContact CG-CB 4.24Å; E416-R492 PolarHBondContact OE1-N 3.26Å; H490-R492 PolarHBondContact O-N 3.46Å; R492-I495 VanDerWaalsContact O-CG2 3.27Å; R492-I495 WeakPolarHBondContact O-CG2 3.33Å; R492-R496 WeakPolarHBondContact O-CD 3.46Å; R492-R496 WeakPolarHBondContact O-CG 3.45Å
493D97.9Very high97.9Very high44 Ų4425.5 Ų25.524%0.23512%0.118CC..Hα-helixtrans-84.2-34.3179.3-65.3-37.4000111.2H490 I495 R496 N497H490-D493 PolarHBondContact O-N 2.83Å; D493-I495 PolarHBondContact O-N 3.29Å; D493-R496 CarbonylContact O-C 3.58Å; D493-R496 WeakPolarHBondContact O-CA 3.16Å; D493-R496 WeakPolarHBondContact O-CB 3.23Å; D493-R496 PolarHBondContact O-N 3.11Å; D493-R496 IonicContact OD1-CZ 3.23Å; D493-R496 IonicContact OD1-NH1 2.72Å; D493-R496 PolarHBondContact OD1-NH1 2.78Å; D493-N497 PolarHBondContact O-N 2.91Å; D493-N497 PolarHBondContact O-OD1 3.01Å
494A98.5Very high97.9Very high0 Ų026.5 Ų26.50%012%0.123CC..Hα-helixtrans-55.3-47.9171.300000112.2Y482 N485 M486 H490 R496 N497 V498 F548Y482-A494 HydrophobicContact CD2-CB 3.95Å; Y482-A494 WeakPolarHBondContact CD2-O 3.23Å; Y482-A494 HydrophobicContact CE2-CB 4.03Å; N485-A494 HydrophobicContact CB-CB 3.83Å; M486-A494 HydrophobicContact CG-CB 3.87Å; M486-A494 HydrophobicContact SD-CB 3.38Å; M486-A494 WeakPolarHBondContact SD-CB 3.28Å; H490-A494 PolarHBondContact O-N 3.44Å; A494-R496 VanDerWaalsContact C-N 3.25Å; A494-R496 PolarHBondContact O-N 2.85Å; A494-N497 WeakPolarHBondContact O-CB 3.5Å; A494-N497 PolarHBondContact O-N 2.83Å; A494-N497 VanDerWaalsContact O-N 3.11Å; A494-V498 PolarHBondContact O-N 3.42Å; A494-F548 HydrophobicContact CB-CZ 3.93Å
495I98.1Very high97.9Very high0 Ų021.1 Ų21.10%010%0.098CC..Hα-helixtrans-64-32.5177.7-158.4172.9000112F408 L411 Y412 L491 R492 D493 V498 L499 I545 F548F408-I495 HydrophobicContact CD2-CD1 3.31Å; F408-I495 HydrophobicContact CD2-CG1 4.12Å; F408-I495 HydrophobicContact CE2-CD1 3.6Å; F408-I495 HydrophobicContact CE2-CG1 3.95Å; F408-I495 HydrophobicContact CG-CD1 4.24Å; L411-I495 HydrophobicContact CB-CD1 4.19Å; Y412-I495 HydrophobicContact CD2-CG2 4.44Å; L491-I495 PolarHBondContact O-N 3.13Å; L491-I495 VanDerWaalsContact O-N 3.13Å; R492-I495 VanDerWaalsContact O-CG2 3.27Å; R492-I495 WeakPolarHBondContact O-CG2 3.33Å; D493-I495 PolarHBondContact O-N 3.29Å; I495-V498 WeakPolarHBondContact O-CB 3.36Å; I495-V498 PolarHBondContact O-N 3.06Å; I495-L499 WeakPolarHBondContact O-CG 3.43Å; I495-L499 PolarHBondContact O-N 2.95Å; I495-I545 HydrophobicContact CG1-CD1 4.32Å; I495-F548 HydrophobicContact CB-CD1 3.79Å; I495-F548 HydrophobicContact CB-CE1 3.67Å; I495-F548 HydrophobicContact CB-CG 4.36Å; I495-F548 HydrophobicContact CB-CZ 4.13Å; I495-F548 HydrophobicContact CD1-CB 3.93Å; I495-F548 HydrophobicContact CD1-CD1 3.59Å; I495-F548 HydrophobicContact CD1-CE1 4.35Å; I495-F548 HydrophobicContact CD1-CG 3.86Å; I495-F548 HydrophobicContact CG1-CB 4.43Å; I495-F548 HydrophobicContact CG1-CD1 3.8Å; I495-F548 HydrophobicContact CG1-CD2 4.48Å; I495-F548 HydrophobicContact CG1-CE1 4.2Å; I495-F548 HydrophobicContact CG1-CG 3.98Å
496R97.8Very high97.9Very high55 Ų5521.5 Ų21.521%0.20810%0.1CC..Hα-helixtrans-67.6-36.6174.2-69.7167.5178165.2-6.6111.8Y412 R492 D493 A494 V498 L499 T500Y412-R496 HydrophobicContact CD2-CG 4.49Å; Y412-R496 HydrophobicContact CE2-CG 4.16Å; R492-R496 WeakPolarHBondContact O-CD 3.46Å; R492-R496 WeakPolarHBondContact O-CG 3.45Å; D493-R496 CarbonylContact O-C 3.58Å; D493-R496 WeakPolarHBondContact O-CA 3.16Å; D493-R496 WeakPolarHBondContact O-CB 3.23Å; D493-R496 PolarHBondContact O-N 3.11Å; D493-R496 IonicContact OD1-CZ 3.23Å; D493-R496 IonicContact OD1-NH1 2.72Å; D493-R496 PolarHBondContact OD1-NH1 2.78Å; A494-R496 VanDerWaalsContact C-N 3.25Å; A494-R496 PolarHBondContact O-N 2.85Å; R496-V498 VanDerWaalsContact C-N 3.26Å; R496-V498 PolarHBondContact O-N 2.86Å; R496-L499 PolarHBondContact O-N 2.64Å; R496-L499 VanDerWaalsContact O-N 3.12Å; R496-T500 PolarHBondContact O-N 3.22Å; R496-T500 PolarHBondContact O-OG1 2.96Å
497N97.8Very high97.8Very high16 Ų1623.4 Ų23.49%0.08612%0.12CC..Hα-helixtrans-57.9-40172.7-69.1108.9000111.7T481 Y482 N485 D493 A494 L499 T500 I501T481-N497 WeakPolarHBondContact CG2-ND2 3.03Å; Y482-N497 HydrophobicContact CD2-CB 4.48Å; N485-N497 PolarHBondContact ND2-OD1 3.46Å; D493-N497 PolarHBondContact O-N 2.91Å; D493-N497 PolarHBondContact O-OD1 3.01Å; A494-N497 WeakPolarHBondContact O-CB 3.5Å; A494-N497 PolarHBondContact O-N 2.83Å; A494-N497 VanDerWaalsContact O-N 3.11Å; N497-L499 VanDerWaalsContact C-N 3.34Å; N497-L499 PolarHBondContact O-N 3.11Å; N497-T500 PolarHBondContact O-N 3.16Å; N497-I501 WeakPolarHBondContact O-CG1 3.16Å; N497-I501 PolarHBondContact O-N 2.98Å
498V98.7Very high97.8Very high0 Ų022.2 Ų22.20%011%0.114CC..Hα-helixtrans-58.7-46.6174.5-1740000110.8Y482 A494 I495 R496 T500 I501 A502 L541 M544 I545Y482-V498 HydrophobicContact CD2-CG2 4Å; Y482-V498 HydrophobicContact CE2-CG2 3.84Å; A494-V498 PolarHBondContact O-N 3.42Å; I495-V498 WeakPolarHBondContact O-CB 3.36Å; I495-V498 PolarHBondContact O-N 3.06Å; R496-V498 VanDerWaalsContact C-N 3.26Å; R496-V498 PolarHBondContact O-N 2.86Å; V498-T500 PolarHBondContact O-N 3.11Å; V498-I501 PolarHBondContact O-N 3.08Å; V498-A502 PolarHBondContact O-N 3.19Å; V498-L541 HydrophobicContact CB-CD2 4.5Å; V498-L541 HydrophobicContact CG1-CD2 3.51Å; V498-L541 WeakPolarHBondContact O-CD2 3.17Å; V498-M544 HydrophobicContact CG1-CB 4.43Å; V498-M544 HydrophobicContact CG2-CB 3.99Å; V498-M544 HydrophobicContact CG2-CE 4.14Å; V498-I545 HydrophobicContact CG1-CB 4.31Å; V498-I545 HydrophobicContact CG1-CD1 4.04Å
499L98.5Very high97.7Very high4 Ų421 Ų212%0.02111%0.105CC..Hα-helixtrans-66.4-36.4178.8-59.8174.1000112.5F408 Y412 E434 N438 L439 I495 R496 N497 A502 R503F408-L499 HydrophobicContact CE2-CD1 4.2Å; F408-L499 HydrophobicContact CE2-CD2 4.03Å; F408-L499 HydrophobicContact CE2-CG 4.45Å; F408-L499 HydrophobicContact CZ-CD1 3.9Å; F408-L499 HydrophobicContact CZ-CD2 4.03Å; F408-L499 HydrophobicContact CZ-CG 4.48Å; Y412-L499 HydrophobicContact CD2-CD1 4.05Å; Y412-L499 HydrophobicContact CE2-CD1 3.8Å; E434-L499 HydrophobicContact CB-CD1 4Å; E434-L499 HydrophobicContact CB-CD2 4.05Å; E434-L499 HydrophobicContact CG-CD1 4.05Å; N438-L499 PolarHBondContact ND2-O 3.32Å; L439-L499 HydrophobicContact CB-CD2 4.44Å; I495-L499 WeakPolarHBondContact O-CG 3.43Å; I495-L499 PolarHBondContact O-N 2.95Å; R496-L499 PolarHBondContact O-N 2.64Å; R496-L499 VanDerWaalsContact O-N 3.12Å; N497-L499 VanDerWaalsContact C-N 3.34Å; N497-L499 PolarHBondContact O-N 3.11Å; L499-A502 PolarHBondContact O-N 2.95Å; L499-R503 WeakPolarHBondContact O-CB 3.14Å; L499-R503 PolarHBondContact O-N 3.35Å
500T98.1Very high97.7Very high10 Ų1025.6 Ų25.66%0.06113%0.127CC..Hα-helixtrans-65-42175.6-60.40000111.1P7 L478 R496 N497 V498 R503 L504P7-T500 HydrophobicContact CB-CG2 4.14Å; P7-T500 HydrophobicContact CG-CG2 3.81Å; L478-T500 HydrophobicContact CD1-CG2 3.88Å; L478-T500 HydrophobicContact CD2-CG2 3.77Å; R496-T500 PolarHBondContact O-N 3.22Å; R496-T500 PolarHBondContact O-OG1 2.96Å; N497-T500 PolarHBondContact O-N 3.16Å; V498-T500 PolarHBondContact O-N 3.11Å; T500-R503 PolarHBondContact O-N 3.26Å; T500-L504 PolarHBondContact O-N 3.46Å
501I98.3Very high97.6Very high0 Ų025.3 Ų25.30%014%0.139CC..Hα-helixtrans-61.3-46.7173.8-74169.4000110.8I475 L478 N497 V498 R503 L504 G505 I537 L541 M544I475-I501 HydrophobicContact CD1-CB 4.17Å; I475-I501 HydrophobicContact CD1-CG1 4.06Å; I475-I501 HydrophobicContact CD1-CG2 3.52Å; L478-I501 HydrophobicContact CB-CD1 3.88Å; L478-I501 HydrophobicContact CB-CG1 3.64Å; L478-I501 HydrophobicContact CD1-CG1 3.76Å; L478-I501 HydrophobicContact CG-CG1 4.32Å; N497-I501 WeakPolarHBondContact O-CG1 3.16Å; N497-I501 PolarHBondContact O-N 2.98Å; V498-I501 PolarHBondContact O-N 3.08Å; I501-R503 VanDerWaalsContact C-N 3.27Å; I501-R503 PolarHBondContact O-N 3.43Å; I501-L504 PolarHBondContact O-N 2.86Å; I501-G505 PolarHBondContact O-N 3.3Å; I501-I537 HydrophobicContact CG2-CG2 3.86Å; I501-L541 HydrophobicContact CB-CD2 4.01Å; I501-L541 HydrophobicContact CG2-CD1 4.14Å; I501-L541 HydrophobicContact CG2-CD2 3.63Å; I501-L541 HydrophobicContact CG2-CG 3.89Å; I501-M544 HydrophobicContact CD1-CE 3.47Å; I501-M544 VanDerWaalsContact CD1-CE 3.47Å; I501-M544 HydrophobicContact CD1-SD 3.7Å
502A98.5Very high97.4Very high0 Ų027.1 Ų27.10%015%0.148CC..Hα-helixtrans-59.8-38.9176.600000112.3N438 L439 F442 V498 L499 G505 N506 L541N438-A502 VanDerWaalsContact OD1-C 3.25Å; L439-A502 HydrophobicContact CB-CB 4.33Å; L439-A502 HydrophobicContact CD1-CB 4.09Å; F442-A502 HydrophobicContact CB-CB 4.5Å; V498-A502 PolarHBondContact O-N 3.19Å; L499-A502 PolarHBondContact O-N 2.95Å; A502-G505 PolarHBondContact O-N 3.45Å; A502-N506 PolarHBondContact O-N 3.5Å; A502-N506 PolarHBondContact O-ND2 3.1Å; A502-L541 HydrophobicContact CB-CD1 4.05Å
503R98.2Very high97.3Very high89 Ų8929.9 Ų29.934%0.33616%0.163SC..Hα-helixtrans-67.1-42.9178.2-164.8176-59.71512.4111.7E434 N438 L499 T500 I501 G505 N506 G507E434-R503 IonicContact OE1-NH2 3.5Å; E434-R503 PolarHBondContact OE1-NH2 2.83Å; E434-R503 IonicContact OE2-NH2 3.41Å; E434-R503 PolarHBondContact OE2-NH2 2.87Å; N438-R503 VanDerWaalsContact OD1-CA 3.27Å; N438-R503 WeakPolarHBondContact OD1-CA 3.43Å; N438-R503 PolarHBondContact OD1-N 3.1Å; L499-R503 WeakPolarHBondContact O-CB 3.14Å; L499-R503 PolarHBondContact O-N 3.35Å; T500-R503 PolarHBondContact O-N 3.26Å; I501-R503 VanDerWaalsContact C-N 3.27Å; I501-R503 PolarHBondContact O-N 3.43Å; R503-G505 VanDerWaalsContact C-N 3.32Å; R503-N506 PolarHBondContact O-N 3.3Å; R503-G507 PolarHBondContact O-N 3.48Å
504L97.4Very high97.2Very high28 Ų2827.9 Ų27.915%0.14715%0.152CC..Hα-helixtrans-61.1-43.4173.8-172.771000110.7P7 F471 R474 I475 L478 T500 I501 G507 Y508P7-L504 HydrophobicContact CB-CB 4.29Å; P7-L504 HydrophobicContact CB-CD1 3.89Å; F471-L504 HydrophobicContact CD2-CD2 3.77Å; F471-L504 HydrophobicContact CD2-CG 3.77Å; F471-L504 HydrophobicContact CE2-CB 4.33Å; F471-L504 HydrophobicContact CE2-CD2 3.83Å; F471-L504 HydrophobicContact CE2-CG 3.72Å; R474-L504 HydrophobicContact CB-CD2 3.59Å; I475-L504 HydrophobicContact CD1-CD2 3.92Å; I475-L504 HydrophobicContact CG1-CD2 4.31Å; L478-L504 HydrophobicContact CD1-CD2 4.3Å; T500-L504 PolarHBondContact O-N 3.46Å; I501-L504 PolarHBondContact O-N 2.86Å; L504-G507 PolarHBondContact O-N 2.93Å; L504-Y508 PolarHBondContact O-N 3.15Å
505G98Very high97Very high0 Ų030.9 Ų30.90%016%0.163CC..Hα-helixtrans-60-44.417500000113F442 I501 A502 R503 G507 Y508 F509F442-G505 WeakPolarHBondContact CE2-O 3.32Å; I501-G505 PolarHBondContact O-N 3.3Å; A502-G505 PolarHBondContact O-N 3.45Å; R503-G505 VanDerWaalsContact C-N 3.32Å; G505-G507 VanDerWaalsContact C-N 3.31Å; G505-G507 PolarHBondContact O-N 3.46Å; G505-Y508 PolarHBondContact O-N 3.49Å; G505-F509 WeakPolarHBondContact O-CB 3.16Å; G505-F509 PolarHBondContact O-N 2.82Å
506N97.8Very high96.9Very high23 Ų2333.5 Ų33.512%0.12318%0.18CC..Hα-helixtrans-58.2-43173.2-81.7-57.7000111.8N438 N441 A502 R503 F509 Q510N438-N506 PolarHBondContact O-ND2 3.47Å; N438-N506 PolarHBondContact OD1-ND2 2.9Å; N438-N506 VanDerWaalsContact OD1-ND2 3.13Å; N441-N506 PolarHBondContact ND2-OD1 3.19Å; A502-N506 PolarHBondContact O-N 3.5Å; A502-N506 PolarHBondContact O-ND2 3.1Å; R503-N506 PolarHBondContact O-N 3.3Å; N506-F509 PolarHBondContact O-N 3.49Å; N506-Q510 WeakPolarHBondContact O-CB 3.42Å; N506-Q510 PolarHBondContact O-N 3.5Å
507G97Very high96.7Very high41 Ų4131.7 Ų31.742%0.42318%0.176SC..Hα-helixtrans-62.8-47176.100000112.9R503 L504 G505 F509 Q510 A511R503-G507 PolarHBondContact O-N 3.48Å; L504-G507 PolarHBondContact O-N 2.93Å; G505-G507 VanDerWaalsContact C-N 3.31Å; G505-G507 PolarHBondContact O-N 3.46Å; G507-F509 VanDerWaalsContact C-N 3.34Å; G507-F509 PolarHBondContact O-N 3.07Å; G507-Q510 PolarHBondContact O-N 2.99Å; G507-A511 WeakPolarHBondContact O-CB 3.2Å; G507-A511 PolarHBondContact O-N 3.04Å
508Y97.1Very high96.6Very high12 Ų1231.7 Ų31.75%0.04718%0.177CC..Hα-helixtrans-57.4-46.2175.6171.6-103.1000112D468 F471 L504 G505 Q510 A511 N512 V530 V533D468-Y508 WeakPolarHBondContact OD1-CE2 3.5Å; D468-Y508 PolarHBondContact OD1-OH 3.37Å; F471-Y508 HydrophobicContact CB-CD2 3.82Å; F471-Y508 HydrophobicContact CB-CE2 4.18Å; F471-Y508 HydrophobicContact CB-CG 4.44Å; F471-Y508 HydrophobicContact CD1-CD1 4.11Å; F471-Y508 AromaticContact CD1-CD2 3.96Å; F471-Y508 HydrophobicContact CD1-CD2 3.96Å; F471-Y508 HydrophobicContact CD1-CE1 4.3Å; F471-Y508 HydrophobicContact CD1-CE2 4.17Å; F471-Y508 AromaticContact CD1-CG 3.93Å; F471-Y508 HydrophobicContact CD1-CG 3.93Å; F471-Y508 HydrophobicContact CD2-CD2 4.29Å; F471-Y508 HydrophobicContact CD2-CG 4.09Å; F471-Y508 HydrophobicContact CE1-CD1 4.04Å; F471-Y508 HydrophobicContact CE1-CE1 4.37Å; F471-Y508 HydrophobicContact CE1-CG 4.18Å; F471-Y508 HydrophobicContact CE2-CG 4.34Å; F471-Y508 AromaticContact CG-CD2 3.75Å; F471-Y508 HydrophobicContact CG-CD2 3.75Å; F471-Y508 HydrophobicContact CG-CE2 4.28Å; F471-Y508 AromaticContact CG-CG 3.88Å; F471-Y508 HydrophobicContact CG-CG 3.88Å; F471-Y508 HydrophobicContact CZ-CD1 4.39Å; F471-Y508 HydrophobicContact CZ-CG 4.38Å; L504-Y508 PolarHBondContact O-N 3.15Å; G505-Y508 PolarHBondContact O-N 3.49Å; Y508-Q510 VanDerWaalsContact C-N 3.34Å; Y508-Q510 PolarHBondContact O-N 3.44Å; Y508-A511 PolarHBondContact O-N 3.07Å; Y508-N512 WeakPolarHBondContact CD2-ND2 3.45Å; Y508-N512 VanDerWaalsContact CE2-ND2 3.35Å; Y508-N512 WeakPolarHBondContact CE2-ND2 3.43Å; Y508-N512 PolarHBondContact O-N 3.49Å; Y508-N512 PolarHBondContact O-ND2 2.85Å; Y508-V530 HydrophobicContact CD1-CG1 4.38Å; Y508-V530 HydrophobicContact CE1-CB 4.35Å; Y508-V530 HydrophobicContact CE1-CG1 3.62Å; Y508-V530 WeakPolarHBondContact OH-CA 3.32Å; Y508-V533 HydrophobicContact CE1-CB 4.45Å; Y508-V533 HydrophobicContact CE1-CG1 4.17Å
509F93.8Very high96.4Very high0 Ų038.9 Ų38.90%021%0.208CC..Hα-helixtrans-63.1-41.6177.1-133.5-109.5000111.6R445 F449 G505 N506 G507 Q513 P514 W515 V530 I531 A534R445-F509 HydrophobicContact CB-CD1 4.37Å; R445-F509 HydrophobicContact CB-CE1 4.02Å; F449-F509 HydrophobicContact CB-CZ 4.32Å; F449-F509 AromaticContact CD2-CE1 3.38Å; F449-F509 HydrophobicContact CD2-CE1 3.38Å; F449-F509 AromaticContact CD2-CZ 3.57Å; F449-F509 HydrophobicContact CD2-CZ 3.57Å; F449-F509 HydrophobicContact CE2-CD1 4.35Å; F449-F509 AromaticContact CE2-CE1 3.4Å; F449-F509 HydrophobicContact CE2-CE1 3.4Å; F449-F509 HydrophobicContact CE2-CZ 4.09Å; F449-F509 HydrophobicContact CG-CE1 4.1Å; F449-F509 HydrophobicContact CG-CZ 4.1Å; F449-F509 HydrophobicContact CZ-CE1 4.14Å; G505-F509 WeakPolarHBondContact O-CB 3.16Å; G505-F509 PolarHBondContact O-N 2.82Å; N506-F509 PolarHBondContact O-N 3.49Å; G507-F509 VanDerWaalsContact C-N 3.34Å; G507-F509 PolarHBondContact O-N 3.07Å; F509-Q513 PolarHBondContact O-N 2.84Å; F509-Q513 VanDerWaalsContact O-N 3.12Å; F509-P514 HydrophobicContact CD1-CG 3.85Å; F509-P514 HydrophobicContact CD2-CG 4.29Å; F509-P514 HydrophobicContact CE1-CG 3.69Å; F509-P514 HydrophobicContact CE2-CG 4.09Å; F509-P514 HydrophobicContact CG-CG 4.18Å; F509-P514 HydrophobicContact CZ-CG 3.81Å; F509-P514 WeakPolarHBondContact O-CD 3.2Å; F509-W515 HydrophobicContact CD1-CE3 4.49Å; F509-W515 HydrophobicContact CD1-CZ3 4.31Å; F509-W515 VanDerWaalsContact O-CZ3 3.31Å; F509-W515 WeakPolarHBondContact O-CZ3 3.43Å; F509-V530 HydrophobicContact CD2-CG1 4.44Å; F509-I531 HydrophobicContact CE2-CG1 4.37Å; F509-I531 HydrophobicContact CZ-CG1 4.11Å; F509-A534 HydrophobicContact CD2-CB 3.6Å; F509-A534 HydrophobicContact CE2-CB 3.39Å
510Q95.6Very high96.2Very high100 Ų10043.9 Ų43.947%0.46723%0.23SC..Hα-helixtrans-67.8-41.2-178.9-171.360.630.400112.6N506 G507 Y508 Q513N506-Q510 WeakPolarHBondContact O-CB 3.42Å; N506-Q510 PolarHBondContact O-N 3.5Å; G507-Q510 PolarHBondContact O-N 2.99Å; Y508-Q510 VanDerWaalsContact C-N 3.34Å; Y508-Q510 PolarHBondContact O-N 3.44Å; Q510-Q513 WeakPolarHBondContact O-CG 3.37Å
511A95.2Very high96Very high78 Ų7848.9 Ų48.965%0.64526%0.262SS*.Hα-helixtrans-65.5-40.7179.300000112.2G507 Y508G507-A511 WeakPolarHBondContact O-CB 3.2Å; G507-A511 PolarHBondContact O-N 3.04Å; Y508-A511 PolarHBondContact O-N 3.07Å
512N95.9Very high95.8Very high37 Ų3755.6 Ų55.620%0.19829%0.293CS..Hα-helixtrans-84-16.8-177-74.5-79.9000114.3Y508 R526 V530Y508-N512 WeakPolarHBondContact CD2-ND2 3.45Å; Y508-N512 VanDerWaalsContact CE2-ND2 3.35Å; Y508-N512 WeakPolarHBondContact CE2-ND2 3.43Å; Y508-N512 PolarHBondContact O-N 3.49Å; Y508-N512 PolarHBondContact O-ND2 2.85Å; N512-R526 PolarHBondContact OD1-NH2 3.28Å; N512-R526 VanDerWaalsContact OD1-NH2 3.16Å; N512-V530 HydrophobicContact CB-CB 4.45Å; N512-V530 HydrophobicContact CB-CG1 3.77Å; N512-V530 HydrophobicContact CB-CG2 3.81Å
513Q96Very high95.6Very high91 Ų9157.9 Ų57.943%0.42531%0.307SS..  trans46.152.4179.3-55.1-17516.400114.9F509 Q510 W515 V516 A517F509-Q513 PolarHBondContact O-N 2.84Å; F509-Q513 VanDerWaalsContact O-N 3.12Å; Q510-Q513 WeakPolarHBondContact O-CG 3.37Å; Q513-W515 HydrophobicContact CB-CH2 4.1Å; Q513-W515 HydrophobicContact CB-CZ2 4.07Å; Q513-W515 HydrophobicContact CB-CZ3 4.41Å; Q513-W515 HydrophobicContact CG-CH2 3.95Å; Q513-W515 HydrophobicContact CG-CZ2 3.96Å; Q513-W515 PolarHBondContact O-N 3.21Å; Q513-W515 VanDerWaalsContact O-N 3.07Å; Q513-V516 HydrophobicContact CB-CB 4.27Å; Q513-V516 HydrophobicContact CB-CG2 4.17Å; Q513-V516 PolarHBondContact O-N 3.26Å; Q513-A517 PolarHBondContact O-N 2.64Å; Q513-A517 VanDerWaalsContact O-N 3.08Å
514P95.4Very high95.4Very high1 Ų158.4 Ų58.41%0.00631%0.312CS..Hα-helixtrans-60.2-27.5-173.823.8-34.2000113.3F449 F509 V516 A517 V518 V530 I531F449-P514 HydrophobicContact CD2-CG 4.37Å; F449-P514 HydrophobicContact CE2-CG 4.38Å; F509-P514 HydrophobicContact CD1-CG 3.85Å; F509-P514 HydrophobicContact CD2-CG 4.29Å; F509-P514 HydrophobicContact CE1-CG 3.69Å; F509-P514 HydrophobicContact CE2-CG 4.09Å; F509-P514 HydrophobicContact CG-CG 4.18Å; F509-P514 HydrophobicContact CZ-CG 3.81Å; F509-P514 WeakPolarHBondContact O-CD 3.2Å; P514-V516 PolarHBondContact O-N 3.05Å; P514-A517 PolarHBondContact O-N 3.2Å; P514-V518 VanDerWaalsContact O-CB 3.26Å; P514-V518 WeakPolarHBondContact O-CB 3.03Å; P514-V518 VanDerWaalsContact O-CG1 3.3Å; P514-V518 WeakPolarHBondContact O-CG1 3.46Å; P514-V518 PolarHBondContact O-N 2.97Å; P514-V530 HydrophobicContact CB-CB 4.45Å; P514-V530 HydrophobicContact CB-CG1 4.11Å; P514-V530 HydrophobicContact CG-CG1 3.94Å; P514-I531 HydrophobicContact CB-CD1 3.91Å; P514-I531 HydrophobicContact CB-CG1 3.85Å; P514-I531 HydrophobicContact CG-CG1 4.3Å
515W94Very high95.3Very high63 Ų6362.9 Ų62.924%0.23933%0.332CS..Hα-helixtrans-68.5-19.2175.562.694.7000114.3F449 F453 F509 Q513 K519F449-W515 HydrophobicContact CE2-CB 3.61Å; F449-W515 HydrophobicContact CE2-CD2 4.5Å; F449-W515 HydrophobicContact CE2-CE3 4.01Å; F449-W515 HydrophobicContact CE2-CG 4.41Å; F449-W515 HydrophobicContact CZ-CB 3.87Å; F449-W515 HydrophobicContact CZ-CE3 4.46Å; F453-W515 HydrophobicContact CZ-CB 4.41Å; F509-W515 HydrophobicContact CD1-CE3 4.49Å; F509-W515 HydrophobicContact CD1-CZ3 4.31Å; F509-W515 VanDerWaalsContact O-CZ3 3.31Å; F509-W515 WeakPolarHBondContact O-CZ3 3.43Å; Q513-W515 HydrophobicContact CB-CH2 4.1Å; Q513-W515 HydrophobicContact CB-CZ2 4.07Å; Q513-W515 HydrophobicContact CB-CZ3 4.41Å; Q513-W515 HydrophobicContact CG-CH2 3.95Å; Q513-W515 HydrophobicContact CG-CZ2 3.96Å; Q513-W515 PolarHBondContact O-N 3.21Å; Q513-W515 VanDerWaalsContact O-N 3.07Å; W515-K519 WeakPolarHBondContact O-CE 3.46Å
516V95.8Very high95.2Very high56 Ų5664.8 Ų64.834%0.33934%0.34SS..Hα-helixtrans-91.8-49.4173-176.80000109.2Q513 P514 V518 K519Q513-V516 HydrophobicContact CB-CB 4.27Å; Q513-V516 HydrophobicContact CB-CG2 4.17Å; Q513-V516 PolarHBondContact O-N 3.26Å; P514-V516 PolarHBondContact O-N 3.05Å; V516-V518 VanDerWaalsContact C-N 3.32Å; V516-V518 PolarHBondContact O-N 3.14Å; V516-K519 WeakPolarHBondContact O-CB 3.38Å; V516-K519 PolarHBondContact O-N 2.82Å
517A93.8Very high95.1Very high17 Ų1763.8 Ų63.814%0.1433%0.334CS..Hα-helixtrans-58.6-41.5-177.700000112.5Q513 P514 K519 K520 T523Q513-A517 PolarHBondContact O-N 2.64Å; Q513-A517 VanDerWaalsContact O-N 3.08Å; P514-A517 PolarHBondContact O-N 3.2Å; A517-K519 PolarHBondContact O-N 3.07Å; A517-K520 PolarHBondContact O-N 2.78Å; A517-T523 WeakPolarHBondContact CA-OG1 3.4Å; A517-T523 PolarHBondContact O-OG1 3.46Å
518V95.3Very high95.1Very high15 Ų1561.9 Ų61.99%0.09132%0.315CS..THydrogen-bonded Turntrans-60.6-18.8-178.475.20000114.6F453 F454 P514 V516 K520 K524 S527F453-V518 HydrophobicContact CB-CG2 3.86Å; F453-V518 HydrophobicContact CD1-CG1 3.7Å; F453-V518 HydrophobicContact CD1-CG2 4.18Å; F453-V518 HydrophobicContact CD2-CG1 4.16Å; F453-V518 HydrophobicContact CE1-CG1 3.58Å; F453-V518 HydrophobicContact CE2-CG1 4.06Å; F453-V518 HydrophobicContact CG-CG1 3.97Å; F453-V518 HydrophobicContact CG-CG2 4.01Å; F453-V518 HydrophobicContact CZ-CG1 3.74Å; F454-V518 HydrophobicContact CE2-CG2 4.17Å; F454-V518 HydrophobicContact CZ-CG2 4.05Å; P514-V518 VanDerWaalsContact O-CB 3.26Å; P514-V518 WeakPolarHBondContact O-CB 3.03Å; P514-V518 VanDerWaalsContact O-CG1 3.3Å; P514-V518 WeakPolarHBondContact O-CG1 3.46Å; P514-V518 PolarHBondContact O-N 2.97Å; V516-V518 VanDerWaalsContact C-N 3.32Å; V516-V518 PolarHBondContact O-N 3.14Å; V518-K520 VanDerWaalsContact C-N 3.34Å; V518-K524 HydrophobicContact CG2-CG 4.3Å; V518-S527 WeakPolarHBondContact CA-OG 3.21Å; V518-S527 WeakPolarHBondContact CB-OG 3.43Å; V518-S527 WeakPolarHBondContact CG2-OG 3.49Å
519K94.6Very high95.1Very high152 Ų15261.4 Ų61.466%0.66131%0.313SS*.THydrogen-bonded Turntrans-80.3-14.3179.9-61178.9179.9178.20113.2W515 V516 A517W515-K519 WeakPolarHBondContact O-CE 3.46Å; V516-K519 WeakPolarHBondContact O-CB 3.38Å; V516-K519 PolarHBondContact O-N 2.82Å; A517-K519 PolarHBondContact O-N 3.07Å
520K95Very high95.3Very high109 Ų10961.5 Ų61.547%0.47431%0.314SS..SBendtrans-109.1129.5-178.1-60.3-176.5-179.2-175.20109.7A517 V518 E522 T523 K524A517-K520 PolarHBondContact O-N 2.78Å; V518-K520 VanDerWaalsContact C-N 3.34Å; K520-E522 VanDerWaalsContact C-N 3.25Å; K520-E522 PolarHBondContact O-N 3.02Å; K520-T523 PolarHBondContact O-N 3.43Å; K520-K524 PolarHBondContact O-N 3.19Å
521P92.9Very high95.4Very high114 Ų11456.8 Ų56.874%0.7429%0.292SS*.Hα-helixtrans-52.7-42.5-179.6-27.234.7000113.5T523 K524P521-T523 VanDerWaalsContact C-N 3.32Å; P521-T523 PolarHBondContact O-N 3.44Å; P521-K524 PolarHBondContact O-N 3.11Å
522E94.7Very high95.5Very high141 Ų14153 Ų5366%0.65926%0.261SS*.Hα-helixtrans-70.6-20.1-17665.5-83.6-169.800114.6K520K520-E522 VanDerWaalsContact C-N 3.25Å; K520-E522 PolarHBondContact O-N 3.02Å
523T94.6Very high95.6Very high48 Ų4851.3 Ų51.329%0.29425%0.251SS..Hα-helixtrans-1173.5177.756.50000113.5A517 K520 P521 E525 R526 S527A517-T523 WeakPolarHBondContact CA-OG1 3.4Å; A517-T523 PolarHBondContact O-OG1 3.46Å; K520-T523 PolarHBondContact O-N 3.43Å; P521-T523 VanDerWaalsContact C-N 3.32Å; P521-T523 PolarHBondContact O-N 3.44Å; T523-E525 VanDerWaalsContact C-N 3.34Å; T523-E525 PolarHBondContact O-N 3.07Å; T523-R526 PolarHBondContact O-N 3.36Å; T523-S527 PolarHBondContact O-N 2.87Å
524K94.4Very high95.7Very high101 Ų10147 Ų4744%0.43923%0.231SC..Hα-helixtrans-60.8-42.6178.7-172.8176.8-178.8-177.70112.1V518 K520 P521 S527 G528V518-K524 HydrophobicContact CG2-CG 4.3Å; K520-K524 PolarHBondContact O-N 3.19Å; P521-K524 PolarHBondContact O-N 3.11Å; K524-S527 PolarHBondContact O-N 3.1Å; K524-S527 PolarHBondContact O-OG 2.93Å; K524-G528 PolarHBondContact O-N 2.65Å
525E94.5Very high95.8Very high121 Ų12146.9 Ų46.957%0.56523%0.231SC*.Hα-helixtrans-59.9-50.7177.3-174.1-178.2174.400111.3T462 T523 S527 G528 V529T462-E525 WeakPolarHBondContact CB-OE1 3.41Å; T462-E525 HydrophobicContact CG2-CG 4.42Å; T462-E525 VanDerWaalsContact CG2-OE1 3.24Å; T462-E525 WeakPolarHBondContact CG2-OE1 3.36Å; T462-E525 PolarHBondContact OG1-OE1 2.82Å; T523-E525 VanDerWaalsContact C-N 3.34Å; T523-E525 PolarHBondContact O-N 3.07Å; E525-S527 VanDerWaalsContact C-N 3.27Å; E525-S527 PolarHBondContact O-N 3.08Å; E525-G528 WeakPolarHBondContact O-CA 3.18Å; E525-G528 PolarHBondContact O-N 3.28Å; E525-V529 PolarHBondContact O-N 2.98Å; E525-V529 VanDerWaalsContact O-N 3.1Å
526R95Very high96Very high41 Ų4144 Ų4416%0.15522%0.22CC..Hα-helixtrans-57-41.7176.4-178.763.1-171.5120.46.3112.1E465 D468 N512 T523 G528 V529 V530E465-R526 WeakPolarHBondContact OE1-CD 3.47Å; E465-R526 IonicContact OE1-NE 2.71Å; E465-R526 IonicContact OE2-CZ 2.72Å; E465-R526 IonicContact OE2-NE 3.13Å; E465-R526 PolarHBondContact OE2-NE 3.37Å; E465-R526 IonicContact OE2-NH2 3.29Å; D468-R526 VanDerWaalsContact CG-NH1 3.31Å; D468-R526 IonicContact OD1-CZ 3.72Å; D468-R526 IonicContact OD1-NH1 3.41Å; D468-R526 PolarHBondContact OD1-NH1 3.16Å; D468-R526 VanDerWaalsContact OD1-NH1 3.13Å; D468-R526 IonicContact OD1-NH2 2.81Å; D468-R526 PolarHBondContact OD1-NH2 2.97Å; D468-R526 IonicContact OD2-CZ 3.77Å; D468-R526 VanDerWaalsContact OD2-CZ 3.29Å; D468-R526 IonicContact OD2-NH1 3.9Å; D468-R526 PolarHBondContact OD2-NH1 2.81Å; D468-R526 IonicContact OD2-NH2 3.63Å; D468-R526 PolarHBondContact OD2-NH2 3.25Å; N512-R526 PolarHBondContact OD1-NH2 3.28Å; N512-R526 VanDerWaalsContact OD1-NH2 3.16Å; T523-R526 PolarHBondContact O-N 3.36Å; R526-G528 VanDerWaalsContact C-N 3.27Å; R526-G528 PolarHBondContact O-N 2.98Å; R526-V529 PolarHBondContact O-N 2.9Å; R526-V530 WeakPolarHBondContact O-CG2 3.23Å; R526-V530 PolarHBondContact O-N 2.91Å; R526-V530 VanDerWaalsContact O-N 3.13Å
527S96.3Very high96.1Very high1 Ų141.3 Ų41.31%0.00720%0.204CC..Hα-helixtrans-62.5-35.217678.50000112.6V518 T523 K524 E525 V530 I531V518-S527 WeakPolarHBondContact CA-OG 3.21Å; V518-S527 WeakPolarHBondContact CB-OG 3.43Å; V518-S527 WeakPolarHBondContact CG2-OG 3.49Å; T523-S527 PolarHBondContact O-N 2.87Å; K524-S527 PolarHBondContact O-N 3.1Å; K524-S527 PolarHBondContact O-OG 2.93Å; E525-S527 VanDerWaalsContact C-N 3.27Å; E525-S527 PolarHBondContact O-N 3.08Å; S527-V530 PolarHBondContact O-N 3.49Å; S527-I531 WeakPolarHBondContact O-CB 3.17Å; S527-I531 WeakPolarHBondContact O-CD1 3.38Å; S527-I531 VanDerWaalsContact O-CG1 3.3Å; S527-I531 WeakPolarHBondContact O-CG1 3.39Å; S527-I531 PolarHBondContact O-N 3.15Å
528G97Very high96.3Very high2 Ų240.5 Ų40.52%0.02120%0.197CC..Hα-helixtrans-63.3-45.2175.200000112K524 E525 R526 I531 S532K524-G528 PolarHBondContact O-N 2.65Å; E525-G528 WeakPolarHBondContact O-CA 3.18Å; E525-G528 PolarHBondContact O-N 3.28Å; R526-G528 VanDerWaalsContact C-N 3.27Å; R526-G528 PolarHBondContact O-N 2.98Å; G528-I531 PolarHBondContact O-N 2.9Å; G528-S532 VanDerWaalsContact O-CB 3.28Å; G528-S532 WeakPolarHBondContact O-CB 3.18Å; G528-S532 PolarHBondContact O-N 3.23Å
529V96.8Very high96.5Very high2 Ų239.8 Ų39.81%0.01219%0.193CC..Hα-helixtrans-57.7-51.2175.11760000111I461 L464 E525 R526 I531 S532 V533I461-V529 HydrophobicContact CG2-CG1 4.17Å; L464-V529 HydrophobicContact CD2-CG1 4.14Å; E525-V529 PolarHBondContact O-N 2.98Å; E525-V529 VanDerWaalsContact O-N 3.1Å; R526-V529 PolarHBondContact O-N 2.9Å; V529-I531 VanDerWaalsContact C-N 3.31Å; V529-I531 PolarHBondContact O-N 2.9Å; V529-S532 PolarHBondContact O-N 2.92Å; V529-V533 HydrophobicContact CG1-CG2 4.34Å; V529-V533 WeakPolarHBondContact O-CG2 3.47Å; V529-V533 PolarHBondContact O-N 3.17Å
530V97.6Very high96.7Very high2 Ų232.6 Ų32.61%0.01216%0.161CC..Hα-helixtrans-58.9-43.7-179.4172.90000111.7Y508 F509 N512 P514 R526 S527 A534Y508-V530 HydrophobicContact CD1-CG1 4.38Å; Y508-V530 HydrophobicContact CE1-CB 4.35Å; Y508-V530 HydrophobicContact CE1-CG1 3.62Å; Y508-V530 WeakPolarHBondContact OH-CA 3.32Å; F509-V530 HydrophobicContact CD2-CG1 4.44Å; N512-V530 HydrophobicContact CB-CB 4.45Å; N512-V530 HydrophobicContact CB-CG1 3.77Å; N512-V530 HydrophobicContact CB-CG2 3.81Å; P514-V530 HydrophobicContact CB-CB 4.45Å; P514-V530 HydrophobicContact CB-CG1 4.11Å; P514-V530 HydrophobicContact CG-CG1 3.94Å; R526-V530 WeakPolarHBondContact O-CG2 3.23Å; R526-V530 PolarHBondContact O-N 2.91Å; R526-V530 VanDerWaalsContact O-N 3.13Å; S527-V530 PolarHBondContact O-N 3.49Å; V530-A534 VanDerWaalsContact O-CB 3.29Å; V530-A534 WeakPolarHBondContact O-CB 3.18Å; V530-A534 PolarHBondContact O-N 2.91Å
531I97.9Very high96.9Very high0 Ų027.4 Ų27.40%014%0.139CC..Hα-helixtrans-68-40.4179.2-73.9164.8000110.9F449 V450 F453 F454 F509 P514 S527 G528 V529 A534 A535F449-I531 HydrophobicContact CB-CD1 3.93Å; F449-I531 HydrophobicContact CB-CG1 4.11Å; F449-I531 HydrophobicContact CB-CG2 4.28Å; F449-I531 HydrophobicContact CD2-CD1 4.15Å; F449-I531 HydrophobicContact CD2-CG1 4.37Å; V450-I531 HydrophobicContact CB-CG2 4.34Å; V450-I531 HydrophobicContact CG2-CG2 3.42Å; V450-I531 VanDerWaalsContact CG2-CG2 3.42Å; F453-I531 HydrophobicContact CD2-CD1 4.27Å; F454-I531 HydrophobicContact CD2-CD1 4.35Å; F454-I531 HydrophobicContact CE2-CD1 3.66Å; F509-I531 HydrophobicContact CE2-CG1 4.37Å; F509-I531 HydrophobicContact CZ-CG1 4.11Å; P514-I531 HydrophobicContact CB-CD1 3.91Å; P514-I531 HydrophobicContact CB-CG1 3.85Å; P514-I531 HydrophobicContact CG-CG1 4.3Å; S527-I531 WeakPolarHBondContact O-CB 3.17Å; S527-I531 WeakPolarHBondContact O-CD1 3.38Å; S527-I531 VanDerWaalsContact O-CG1 3.3Å; S527-I531 WeakPolarHBondContact O-CG1 3.39Å; S527-I531 PolarHBondContact O-N 3.15Å; G528-I531 PolarHBondContact O-N 2.9Å; V529-I531 VanDerWaalsContact C-N 3.31Å; V529-I531 PolarHBondContact O-N 2.9Å; I531-A534 PolarHBondContact O-N 3.26Å; I531-A535 VanDerWaalsContact O-CB 3.3Å; I531-A535 WeakPolarHBondContact O-CB 3.42Å; I531-A535 PolarHBondContact O-N 2.9Å
532S97.7Very high97.1Very high0 Ų022 Ų220%010%0.104CC..Hα-helixtrans-64.3-46.6177.9-1730000112.1I458 P459 I461 G528 V529 A535 N536I458-S532 VanDerWaalsContact CG2-OG 3.3Å; I458-S532 WeakPolarHBondContact CG2-OG 3.27Å; P459-S532 WeakPolarHBondContact O-CB 3.04Å; P459-S532 PolarHBondContact O-OG 2.83Å; I461-S532 WeakPolarHBondContact CG1-OG 3.46Å; G528-S532 VanDerWaalsContact O-CB 3.28Å; G528-S532 WeakPolarHBondContact O-CB 3.18Å; G528-S532 PolarHBondContact O-N 3.23Å; V529-S532 PolarHBondContact O-N 2.92Å; S532-A535 PolarHBondContact O-N 3.4Å; S532-N536 PolarHBondContact O-N 3.48Å; S532-N536 PolarHBondContact O-ND2 3.27Å
533V97.8Very high97.3Very high0 Ų015.3 Ų15.30%07%0.073CC..Hα-helixtrans-58.3-50.8173.81700000110.3F24 I461 L464 F471 L472 Y508 V529 A535 N536 I537F24-V533 HydrophobicContact CE1-CG2 3.91Å; F24-V533 HydrophobicContact CZ-CG2 4.47Å; I461-V533 HydrophobicContact CD1-CG2 4.15Å; L464-V533 HydrophobicContact CD2-CG2 3.86Å; F471-V533 HydrophobicContact CD1-CG1 3.83Å; F471-V533 HydrophobicContact CE1-CG1 3.79Å; L472-V533 HydrophobicContact CD2-CG1 4.19Å; L472-V533 HydrophobicContact CG-CG1 4.43Å; Y508-V533 HydrophobicContact CE1-CB 4.45Å; Y508-V533 HydrophobicContact CE1-CG1 4.17Å; V529-V533 HydrophobicContact CG1-CG2 4.34Å; V529-V533 WeakPolarHBondContact O-CG2 3.47Å; V529-V533 PolarHBondContact O-N 3.17Å; V533-A535 PolarHBondContact O-N 3.18Å; V533-N536 WeakPolarHBondContact O-CB 3.47Å; V533-N536 PolarHBondContact O-N 3.47Å; V533-I537 WeakPolarHBondContact O-CG1 3.31Å; V533-I537 PolarHBondContact O-N 3.11Å
534A98Very high97.5Very high0 Ų013 Ų130%06%0.059CC..Hα-helixtrans-63.5-38.6-178.800000113.2F442 F509 V530 I531 I537 A538F442-A534 HydrophobicContact CE2-CB 4.15Å; F442-A534 HydrophobicContact CZ-CB 4.16Å; F509-A534 HydrophobicContact CD2-CB 3.6Å; F509-A534 HydrophobicContact CE2-CB 3.39Å; V530-A534 VanDerWaalsContact O-CB 3.29Å; V530-A534 WeakPolarHBondContact O-CB 3.18Å; V530-A534 PolarHBondContact O-N 2.91Å; I531-A534 PolarHBondContact O-N 3.26Å; A534-I537 PolarHBondContact O-N 3.2Å; A534-A538 WeakPolarHBondContact O-CB 3.32Å; A534-A538 PolarHBondContact O-N 3.34Å
535A98.4Very high97.7Very high0 Ų08.2 Ų8.20%04%0.038CC..Hα-helixtrans-64-40.5176.300000111.9L447 V450 I458 I531 S532 V533 A538 C539 L584L447-A535 HydrophobicContact CD2-CB 4.09Å; V450-A535 HydrophobicContact CG2-CB 3.86Å; I458-A535 HydrophobicContact CD1-CB 3.76Å; I531-A535 VanDerWaalsContact O-CB 3.3Å; I531-A535 WeakPolarHBondContact O-CB 3.42Å; I531-A535 PolarHBondContact O-N 2.9Å; S532-A535 PolarHBondContact O-N 3.4Å; V533-A535 PolarHBondContact O-N 3.18Å; A535-A538 WeakPolarHBondContact O-CB 3.47Å; A535-A538 PolarHBondContact O-N 2.97Å; A535-C539 PolarHBondContact O-N 3.42Å; A535-L584 HydrophobicContact CB-CD1 4.12Å
536N98Very high97.9Very high1 Ų13.4 Ų3.41%0.0052%0.015CC..Hα-helixtrans-61.7-42.4172.9-88.4-86.3000111.9F24 S532 V533 C539 L540 L583 L584F24-N536 HydrophobicContact CE2-CB 3.91Å; F24-N536 HydrophobicContact CZ-CB 3.6Å; S532-N536 PolarHBondContact O-N 3.48Å; S532-N536 PolarHBondContact O-ND2 3.27Å; V533-N536 WeakPolarHBondContact O-CB 3.47Å; V533-N536 PolarHBondContact O-N 3.47Å; N536-C539 WeakPolarHBondContact O-CB 3.31Å; N536-C539 PolarHBondContact O-N 2.79Å; N536-L540 PolarHBondContact O-N 2.88Å; N536-L583 PolarHBondContact OD1-N 3.06Å; N536-L584 PolarHBondContact ND2-O 2.89Å; N536-L584 PolarHBondContact OD1-N 3.1Å
537I98.4Very high98.1Very high0 Ų01.5 Ų1.50%01%0.007CC..Hα-helixtrans-68.9-35.1175.9-57.9-42.3000111.8F442 F471 L472 I475 I501 V533 A534 C539 L540 L541F442-I537 HydrophobicContact CE1-CB 4.2Å; F442-I537 HydrophobicContact CE1-CG2 3.92Å; F442-I537 HydrophobicContact CZ-CB 4.14Å; F442-I537 HydrophobicContact CZ-CG2 4.15Å; F471-I537 HydrophobicContact CE1-CG1 3.71Å; F471-I537 HydrophobicContact CZ-CG1 3.98Å; F471-I537 HydrophobicContact CZ-CG2 4.34Å; L472-I537 HydrophobicContact CD2-CD1 4.08Å; I475-I537 HydrophobicContact CD1-CG2 4.05Å; I475-I537 HydrophobicContact CG1-CD1 4.41Å; I475-I537 HydrophobicContact CG1-CG1 4.48Å; I475-I537 HydrophobicContact CG2-CD1 4.06Å; I501-I537 HydrophobicContact CG2-CG2 3.86Å; V533-I537 WeakPolarHBondContact O-CG1 3.31Å; V533-I537 PolarHBondContact O-N 3.11Å; A534-I537 PolarHBondContact O-N 3.2Å; I537-C539 VanDerWaalsContact C-N 3.3Å; I537-C539 PolarHBondContact O-N 3.02Å; I537-L540 PolarHBondContact O-N 2.84Å; I537-L541 WeakPolarHBondContact O-CG 3.36Å; I537-L541 PolarHBondContact O-N 2.74Å
538A98.6Very high98.2Very high0 Ų01.4 Ų1.40%01%0.007CC..Hα-helixtrans-62-39.5172.100000111.6F442 V443 L447 A534 A535 L541 G542 I556F442-A538 HydrophobicContact CE1-CB 4.27Å; V443-A538 HydrophobicContact CB-CB 4.41Å; V443-A538 HydrophobicContact CG1-CB 4.31Å; V443-A538 HydrophobicContact CG2-CB 4.18Å; L447-A538 HydrophobicContact CG-CB 4.46Å; A534-A538 WeakPolarHBondContact O-CB 3.32Å; A534-A538 PolarHBondContact O-N 3.34Å; A535-A538 WeakPolarHBondContact O-CB 3.47Å; A535-A538 PolarHBondContact O-N 2.97Å; A538-L541 PolarHBondContact O-N 2.84Å; A538-G542 PolarHBondContact O-N 3.06Å; A538-G542 VanDerWaalsContact O-N 3.07Å; A538-I556 WeakPolarHBondContact O-CG2 3.37Å
539C98.4Very high98.3Very high0 Ų01.3 Ų1.30%01%0.006CC..Hα-helixtrans-62.5-46.3173.2-167.70000111.8A535 N536 I537 L541 G542 A543 W557 L563 L583 L584A535-C539 PolarHBondContact O-N 3.42Å; N536-C539 WeakPolarHBondContact O-CB 3.31Å; N536-C539 PolarHBondContact O-N 2.79Å; I537-C539 VanDerWaalsContact C-N 3.3Å; I537-C539 PolarHBondContact O-N 3.02Å; C539-L541 VanDerWaalsContact C-N 3.33Å; C539-L541 PolarHBondContact O-N 3.35Å; C539-G542 WeakPolarHBondContact O-CA 3.42Å; C539-G542 PolarHBondContact O-N 3.13Å; C539-A543 PolarHBondContact O-N 3.44Å; C539-W557 VanDerWaalsContact SG-CZ3 3.59Å; C539-L563 VanDerWaalsContact SG-CD1 3.51Å; C539-L583 HydrophobicContact CB-CB 4.44Å; C539-L583 HydrophobicContact CB-CD1 4.19Å; C539-L584 HydrophobicContact CB-CD1 4.1Å; C539-L584 HydrophobicContact CB-CD2 4.42Å; C539-L584 HydrophobicContact CB-CG 4.15Å
540L98.4Very high98.4Very high1 Ų11.4 Ų1.41%0.0051%0.007CC..Hα-helixtrans-57.9-45.2175.1175.763.4000111.5I475 F479 N536 I537 G542 A543 M544 I573 V580 L583I475-L540 HydrophobicContact CG2-CD2 4.01Å; F479-L540 HydrophobicContact CD2-CD1 4.11Å; F479-L540 HydrophobicContact CD2-CD2 4.39Å; F479-L540 HydrophobicContact CE2-CD1 3.92Å; N536-L540 PolarHBondContact O-N 2.88Å; I537-L540 PolarHBondContact O-N 2.84Å; L540-G542 PolarHBondContact O-N 2.85Å; L540-A543 PolarHBondContact O-N 3.4Å; L540-M544 HydrophobicContact CD1-CG 4.2Å; L540-M544 HydrophobicContact CD1-SD 4.29Å; L540-M544 HydrophobicContact CD2-SD 4.25Å; L540-M544 HydrophobicContact CG-CG 4.23Å; L540-M544 HydrophobicContact CG-SD 3.86Å; L540-M544 WeakPolarHBondContact O-CG 3.48Å; L540-M544 PolarHBondContact O-N 3.45Å; L540-I573 HydrophobicContact CD1-CD1 3.78Å; L540-V580 HydrophobicContact CD2-CG1 4.15Å; L540-V580 HydrophobicContact CD2-CG2 3.6Å; L540-L583 HydrophobicContact CB-CD1 3.96Å
541L98.8Very high98.4Very high0 Ų04.5 Ų4.50%03%0.026CC..Hα-helixtrans-58.9-35.1175.3-79.3170.8000112.3L439 F442 V443 V498 I501 A502 I537 A538 C539 M544 I545L439-L541 HydrophobicContact CD1-CB 4.3Å; L439-L541 HydrophobicContact CD1-CD1 4.05Å; L439-L541 HydrophobicContact CD1-CD2 4.28Å; L439-L541 HydrophobicContact CD1-CG 4.48Å; F442-L541 HydrophobicContact CD1-CD1 3.47Å; F442-L541 VanDerWaalsContact CD1-CD1 3.47Å; F442-L541 HydrophobicContact CE1-CD1 3.68Å; V443-L541 HydrophobicContact CG2-CD1 4.49Å; V498-L541 HydrophobicContact CB-CD2 4.5Å; V498-L541 HydrophobicContact CG1-CD2 3.51Å; V498-L541 WeakPolarHBondContact O-CD2 3.17Å; I501-L541 HydrophobicContact CB-CD2 4.01Å; I501-L541 HydrophobicContact CG2-CD1 4.14Å; I501-L541 HydrophobicContact CG2-CD2 3.63Å; I501-L541 HydrophobicContact CG2-CG 3.89Å; A502-L541 HydrophobicContact CB-CD1 4.05Å; I537-L541 WeakPolarHBondContact O-CG 3.36Å; I537-L541 PolarHBondContact O-N 2.74Å; A538-L541 PolarHBondContact O-N 2.84Å; C539-L541 VanDerWaalsContact C-N 3.33Å; C539-L541 PolarHBondContact O-N 3.35Å; L541-M544 PolarHBondContact O-N 3.13Å; L541-I545 WeakPolarHBondContact O-CB 3.49Å; L541-I545 VanDerWaalsContact O-CG2 3.31Å; L541-I545 WeakPolarHBondContact O-CG2 3.44Å; L541-I545 PolarHBondContact O-N 3.2Å
542G98.6Very high98.4Very high0 Ų04.6 Ų4.60%03%0.026CC..Hα-helixtrans-57.7-45.3171.700000112.8A538 C539 L540 Y546 G553A538-G542 PolarHBondContact O-N 3.06Å; A538-G542 VanDerWaalsContact O-N 3.07Å; C539-G542 WeakPolarHBondContact O-CA 3.42Å; C539-G542 PolarHBondContact O-N 3.13Å; L540-G542 PolarHBondContact O-N 2.85Å; G542-Y546 PolarHBondContact O-N 3.36Å; G542-G553 VanDerWaalsContact O-CA 3.25Å; G542-G553 WeakPolarHBondContact O-CA 3.14Å
543A98.5Very high98.5Very high2 Ų24.6 Ų4.62%0.0173%0.026CC..Hα-helixtrans-69.4-40174.500000112.5L85 C539 L540 Y546 P547 W557 M568 F570L85-A543 WeakPolarHBondContact CD1-O 3.36Å; C539-A543 PolarHBondContact O-N 3.44Å; L540-A543 PolarHBondContact O-N 3.4Å; A543-Y546 WeakPolarHBondContact O-CB 3.48Å; A543-Y546 PolarHBondContact O-N 3.19Å; A543-P547 WeakPolarHBondContact O-CD 3.37Å; A543-W557 HydrophobicContact CB-CE3 3.87Å; A543-W557 HydrophobicContact CB-CZ3 3.7Å; A543-M568 HydrophobicContact CB-CG 3.89Å; A543-F570 HydrophobicContact CB-CE1 3.74Å; A543-F570 HydrophobicContact CB-CZ 4.2Å
544M98.8Very high98.5Very high0 Ų08.1 Ų8.10%04%0.041CC..Hα-helixtrans-68.7-35.8-179.8-65.817871.800113.4F479 Y482 V498 I501 L540 L541 P547 F570F479-M544 HydrophobicContact CD2-CE 4Å; F479-M544 HydrophobicContact CD2-CG 4.23Å; F479-M544 HydrophobicContact CD2-SD 3.78Å; F479-M544 HydrophobicContact CE2-CG 4.14Å; F479-M544 HydrophobicContact CE2-SD 4.29Å; Y482-M544 HydrophobicContact CD1-CE 3.74Å; Y482-M544 HydrophobicContact CD2-CE 3.69Å; Y482-M544 HydrophobicContact CE1-CE 4.33Å; Y482-M544 HydrophobicContact CE1-CG 4.4Å; Y482-M544 HydrophobicContact CE2-CE 4.28Å; Y482-M544 HydrophobicContact CG-CE 3.39Å; Y482-M544 PolarHBondContact OH-O 3.27Å; Y482-M544 VanDerWaalsContact OH-O 3.08Å; V498-M544 HydrophobicContact CG1-CB 4.43Å; V498-M544 HydrophobicContact CG2-CB 3.99Å; V498-M544 HydrophobicContact CG2-CE 4.14Å; I501-M544 HydrophobicContact CD1-CE 3.47Å; I501-M544 VanDerWaalsContact CD1-CE 3.47Å; I501-M544 HydrophobicContact CD1-SD 3.7Å; L540-M544 HydrophobicContact CD1-CG 4.2Å; L540-M544 HydrophobicContact CD1-SD 4.29Å; L540-M544 HydrophobicContact CD2-SD 4.25Å; L540-M544 HydrophobicContact CG-CG 4.23Å; L540-M544 HydrophobicContact CG-SD 3.86Å; L540-M544 WeakPolarHBondContact O-CG 3.48Å; L540-M544 PolarHBondContact O-N 3.45Å; L541-M544 PolarHBondContact O-N 3.13Å; M544-P547 WeakPolarHBondContact O-CD 3.36Å; M544-F570 HydrophobicContact CG-CE1 4.26Å; M544-F570 HydrophobicContact CG-CZ 4.24Å
545I98.7Very high98.5Very high0 Ų09.8 Ų9.80%05%0.049CC..Hα-helixtrans-80.8-19.4178.4-158.665.9000112.1L439 I495 V498 L541 F548 M549 I552 I556L439-I545 HydrophobicContact CD2-CD1 4.23Å; L439-I545 HydrophobicContact CD2-CG1 4.13Å; I495-I545 HydrophobicContact CG1-CD1 4.32Å; V498-I545 HydrophobicContact CG1-CB 4.31Å; V498-I545 HydrophobicContact CG1-CD1 4.04Å; L541-I545 WeakPolarHBondContact O-CB 3.49Å; L541-I545 VanDerWaalsContact O-CG2 3.31Å; L541-I545 WeakPolarHBondContact O-CG2 3.44Å; L541-I545 PolarHBondContact O-N 3.2Å; I545-F548 HydrophobicContact CD1-CB 4.13Å; I545-F548 CarbonylContact O-C 3.6Å; I545-F548 WeakPolarHBondContact O-CA 3.48Å; I545-F548 WeakPolarHBondContact O-CB 3.44Å; I545-F548 PolarHBondContact O-N 2.8Å; I545-M549 HydrophobicContact CD1-CG 4.29Å; I545-M549 HydrophobicContact CD1-SD 3.99Å; I545-M549 HydrophobicContact CG1-CB 3.98Å; I545-M549 HydrophobicContact CG1-CG 3.95Å; I545-M549 HydrophobicContact CG1-SD 3.75Å; I545-M549 PolarHBondContact O-N 3.29Å; I545-I552 HydrophobicContact CG2-CG2 4.44Å; I545-I556 HydrophobicContact CG2-CD1 4.32Å
546Y98.8Very high98.5Very high20 Ų209.8 Ų9.88%0.0785%0.049CC..THydrogen-bonded Turntrans-51.4-44.9-175.9174.6-107.3000114.5L81 L85 G542 A543 F548 M549 P550 K554 M568L81-Y546 HydrophobicContact CB-CE1 4.47Å; L81-Y546 HydrophobicContact CD2-CE1 3.88Å; L85-Y546 HydrophobicContact CD1-CD1 4.05Å; L85-Y546 HydrophobicContact CD2-CD1 4.27Å; L85-Y546 HydrophobicContact CG-CD1 4.32Å; G542-Y546 PolarHBondContact O-N 3.36Å; A543-Y546 WeakPolarHBondContact O-CB 3.48Å; A543-Y546 PolarHBondContact O-N 3.19Å; Y546-F548 PolarHBondContact O-N 3.3Å; Y546-M549 CarbonylContact O-C 3.6Å; Y546-P550 HydrophobicContact CD2-CB 4.13Å; Y546-P550 WeakPolarHBondContact CD2-O 3.43Å; Y546-P550 HydrophobicContact CE2-CB 3.8Å; Y546-P550 VanDerWaalsContact O-CA 3.27Å; Y546-P550 WeakPolarHBondContact O-CA 3.44Å; Y546-P550 WeakPolarHBondContact O-CG 3.03Å; Y546-K554 HydrophobicContact CD2-CG 4.05Å; Y546-K554 HydrophobicContact CE2-CD 3.88Å; Y546-K554 HydrophobicContact CE2-CG 3.66Å; Y546-K554 WeakPolarHBondContact OH-CE 3.18Å; Y546-M568 HydrophobicContact CD1-SD 3.73Å; Y546-M568 HydrophobicContact CD2-CE 4.38Å; Y546-M568 HydrophobicContact CD2-SD 4.07Å; Y546-M568 HydrophobicContact CE1-SD 4.29Å; Y546-M568 HydrophobicContact CG-CE 4.38Å; Y546-M568 HydrophobicContact CG-SD 3.59Å; Y546-M568 VanDerWaalsContact CG-SD 3.59Å
547P98.7Very high98.5Very high0 Ų010 Ų100%05%0.05CC..THydrogen-bonded Turntrans-58.9-32.2175.1-26.637.3000113.8V78 L81 L85 R407 M486 A543 M544V78-P547 HydrophobicContact CG1-CB 4.05Å; V78-P547 WeakPolarHBondContact CG2-O 3.16Å; L81-P547 HydrophobicContact CB-CB 4Å; L81-P547 HydrophobicContact CB-CG 4.36Å; L85-P547 HydrophobicContact CD1-CG 3.9Å; R407-P547 PolarHBondContact NH2-O 3.2Å; M486-P547 HydrophobicContact CE-CB 4.29Å; A543-P547 WeakPolarHBondContact O-CD 3.37Å; M544-P547 WeakPolarHBondContact O-CD 3.36Å
548F98.8Very high98.5Very high0 Ų012.9 Ų12.90%07%0.065CC..THydrogen-bonded Turntrans-89-41.5-176.7-55.1-91.5000112.4V78 R407 L411 Y482 M486 L491 A494 I495 I545 Y546V78-F548 HydrophobicContact CG1-CD1 4.05Å; V78-F548 HydrophobicContact CG1-CE1 3.86Å; V78-F548 HydrophobicContact CG1-CZ 4.21Å; R407-F548 VanDerWaalsContact CB-O 3.23Å; R407-F548 WeakPolarHBondContact CB-O 3.23Å; R407-F548 WeakPolarHBondContact CD-O 3.19Å; R407-F548 PolarHBondContact NE-O 2.88Å; L411-F548 HydrophobicContact CB-CD1 4.18Å; L411-F548 HydrophobicContact CD1-CB 4.15Å; L411-F548 HydrophobicContact CD1-CD1 3.74Å; L411-F548 HydrophobicContact CD1-CG 4.4Å; L411-F548 HydrophobicContact CG-CD1 4.39Å; Y482-F548 AromaticContact CE2-CE2 3.78Å; Y482-F548 HydrophobicContact CE2-CE2 3.78Å; Y482-F548 HydrophobicContact CE2-CZ 4.23Å; M486-F548 HydrophobicContact CE-CE2 4.28Å; M486-F548 HydrophobicContact CE-CZ 4.04Å; M486-F548 HydrophobicContact SD-CE2 4.19Å; M486-F548 HydrophobicContact SD-CZ 3.6Å; M486-F548 VanDerWaalsContact SD-CZ 3.6Å; L491-F548 WeakPolarHBondContact O-CE1 3.4Å; A494-F548 HydrophobicContact CB-CZ 3.93Å; I495-F548 HydrophobicContact CB-CD1 3.79Å; I495-F548 HydrophobicContact CB-CE1 3.67Å; I495-F548 HydrophobicContact CB-CG 4.36Å; I495-F548 HydrophobicContact CB-CZ 4.13Å; I495-F548 HydrophobicContact CD1-CB 3.93Å; I495-F548 HydrophobicContact CD1-CD1 3.59Å; I495-F548 HydrophobicContact CD1-CE1 4.35Å; I495-F548 HydrophobicContact CD1-CG 3.86Å; I495-F548 HydrophobicContact CG1-CB 4.43Å; I495-F548 HydrophobicContact CG1-CD1 3.8Å; I495-F548 HydrophobicContact CG1-CD2 4.48Å; I495-F548 HydrophobicContact CG1-CE1 4.2Å; I495-F548 HydrophobicContact CG1-CG 3.98Å; I545-F548 HydrophobicContact CD1-CB 4.13Å; I545-F548 CarbonylContact O-C 3.6Å; I545-F548 WeakPolarHBondContact O-CA 3.48Å; I545-F548 WeakPolarHBondContact O-CB 3.44Å; I545-F548 PolarHBondContact O-N 2.8Å; Y546-F548 PolarHBondContact O-N 3.3Å
549M98.8Very high98.5Very high0 Ų018.8 Ų18.80%09%0.092CC..  trans-13481-175.6-57177.286.200109D404 F408 L435 I545 Y546 T551 I552 G553 F597D404-M549 HydrophobicContact CB-CB 3.87Å; D404-M549 HydrophobicContact CB-CE 3.83Å; D404-M549 HydrophobicContact CB-CG 4.16Å; D404-M549 WeakPolarHBondContact O-CE 3.35Å; D404-M549 VanDerWaalsContact OD2-CA 3.32Å; D404-M549 WeakPolarHBondContact OD2-CA 3.48Å; D404-M549 WeakPolarHBondContact OD2-CB 3.47Å; F408-M549 HydrophobicContact CB-CE 3.9Å; F408-M549 HydrophobicContact CB-CG 4.02Å; F408-M549 HydrophobicContact CB-SD 3.8Å; F408-M549 HydrophobicContact CD2-SD 3.84Å; F408-M549 HydrophobicContact CG-CE 4.45Å; F408-M549 HydrophobicContact CG-SD 4.09Å; L435-M549 HydrophobicContact CD1-CE 3.89Å; L435-M549 HydrophobicContact CD2-CE 4.04Å; L435-M549 HydrophobicContact CD2-SD 3.92Å; I545-M549 HydrophobicContact CD1-CG 4.29Å; I545-M549 HydrophobicContact CD1-SD 3.99Å; I545-M549 HydrophobicContact CG1-CB 3.98Å; I545-M549 HydrophobicContact CG1-CG 3.95Å; I545-M549 HydrophobicContact CG1-SD 3.75Å; I545-M549 PolarHBondContact O-N 3.29Å; Y546-M549 CarbonylContact O-C 3.6Å; M549-T551 VanDerWaalsContact C-N 3.35Å; M549-T551 PolarHBondContact O-N 3.02Å; M549-I552 HydrophobicContact CB-CB 3.98Å; M549-I552 HydrophobicContact CB-CG1 4.35Å; M549-I552 HydrophobicContact CE-CG1 4.11Å; M549-I552 PolarHBondContact O-N 2.93Å; M549-G553 PolarHBondContact O-N 3Å; M549-F597 HydrophobicContact CE-CD1 4.48Å; M549-F597 HydrophobicContact CE-CE1 3.53Å; M549-F597 HydrophobicContact CE-CZ 4.12Å; M549-F597 HydrophobicContact SD-CE1 4.43Å; M549-F597 HydrophobicContact SD-CZ 4.46Å
550P98.6Very high98.5Very high4 Ų418.8 Ų18.83%0.0269%0.092CC..Hα-helixtrans-65.3-34.2-168.5-21.331.5000114.1L81 Q133 D404 Y546 K554L81-P550 HydrophobicContact CD1-CG 3.93Å; Q133-P550 HydrophobicContact CB-CG 4.23Å; D404-P550 WeakPolarHBondContact OD1-CD 3.38Å; Y546-P550 HydrophobicContact CD2-CB 4.13Å; Y546-P550 WeakPolarHBondContact CD2-O 3.43Å; Y546-P550 HydrophobicContact CE2-CB 3.8Å; Y546-P550 VanDerWaalsContact O-CA 3.27Å; Y546-P550 WeakPolarHBondContact O-CA 3.44Å; Y546-P550 WeakPolarHBondContact O-CG 3.03Å; P550-K554 WeakPolarHBondContact O-CB 3.43Å; P550-K554 WeakPolarHBondContact O-CG 3.08Å; P550-K554 PolarHBondContact O-N 2.66Å
551T98.1Very high98.5Very high67 Ų6718.7 Ų18.741%0.4119%0.092SC..Hα-helixtrans-67.7-47.4176.6-68.30000110.2Q133 D404 M549 K554 Q555Q133-T551 VanDerWaalsContact CD-OG1 3.22Å; Q133-T551 PolarHBondContact NE2-OG1 2.98Å; Q133-T551 PolarHBondContact OE1-OG1 3.37Å; D404-T551 WeakPolarHBondContact OD2-CA 3.26Å; D404-T551 VanDerWaalsContact OD2-CB 3.3Å; D404-T551 WeakPolarHBondContact OD2-CB 3.43Å; D404-T551 PolarHBondContact OD2-N 2.76Å; M549-T551 VanDerWaalsContact C-N 3.35Å; M549-T551 PolarHBondContact O-N 3.02Å; T551-K554 PolarHBondContact O-N 3.35Å; T551-Q555 VanDerWaalsContact O-CB 3.31Å; T551-Q555 WeakPolarHBondContact O-CB 3.4Å; T551-Q555 PolarHBondContact O-N 2.71Å
552I98.4Very high98.5Very high2 Ų223.1 Ų23.11%0.0112%0.116CC..Hα-helixtrans-66.3-43.2179.6-63.4-64.7000111.3I402 D404 I545 M549 K554 Q555 I556 L596 F597I402-I552 HydrophobicContact CD1-CD1 4.43Å; D404-I552 HydrophobicContact CB-CG1 4.1Å; D404-I552 WeakPolarHBondContact OD2-CG1 3.46Å; D404-I552 PolarHBondContact OD2-N 2.79Å; I545-I552 HydrophobicContact CG2-CG2 4.44Å; M549-I552 HydrophobicContact CB-CB 3.98Å; M549-I552 HydrophobicContact CB-CG1 4.35Å; M549-I552 HydrophobicContact CE-CG1 4.11Å; M549-I552 PolarHBondContact O-N 2.93Å; I552-K554 PolarHBondContact O-N 3.21Å; I552-Q555 PolarHBondContact O-N 3.15Å; I552-I556 HydrophobicContact CG2-CD1 3.93Å; I552-I556 HydrophobicContact CG2-CG1 4.44Å; I552-I556 VanDerWaalsContact O-CG1 3.29Å; I552-I556 WeakPolarHBondContact O-CG1 3.4Å; I552-I556 PolarHBondContact O-N 3.09Å; I552-L596 HydrophobicContact CD1-CB 4.47Å; I552-L596 HydrophobicContact CG2-CD1 4.38Å; I552-L596 HydrophobicContact CG2-CD2 4.47Å; I552-F597 HydrophobicContact CD1-CD1 4.4Å; I552-F597 HydrophobicContact CD1-CE1 3.9Å; I552-F597 HydrophobicContact CG1-CE1 3.88Å; I552-F597 HydrophobicContact CG1-CZ 4.46Å; I552-F597 HydrophobicContact CG2-CE1 4.15Å; I552-F597 HydrophobicContact CG2-CZ 3.86Å
553G98.5Very high98.4Very high0 Ų023.5 Ų23.50%012%0.118CC..Hα-helixtrans-59.6-44.9176.500000112.2G542 M549 I556 W557G542-G553 VanDerWaalsContact O-CA 3.25Å; G542-G553 WeakPolarHBondContact O-CA 3.14Å; M549-G553 PolarHBondContact O-N 3Å; G553-I556 PolarHBondContact O-N 2.95Å; G553-W557 WeakPolarHBondContact O-CB 3.22Å; G553-W557 PolarHBondContact O-N 3.5Å
554K98.2Very high98.3Very high73 Ų7326.3 Ų26.332%0.31714%0.136SC..Hα-helixtrans-64.4-41.6173.7-79.3168.4173.4163.20112.4Y546 P550 T551 I552 I556 W557 I558 I565Y546-K554 HydrophobicContact CD2-CG 4.05Å; Y546-K554 HydrophobicContact CE2-CD 3.88Å; Y546-K554 HydrophobicContact CE2-CG 3.66Å; Y546-K554 WeakPolarHBondContact OH-CE 3.18Å; P550-K554 WeakPolarHBondContact O-CB 3.43Å; P550-K554 WeakPolarHBondContact O-CG 3.08Å; P550-K554 PolarHBondContact O-N 2.66Å; T551-K554 PolarHBondContact O-N 3.35Å; I552-K554 PolarHBondContact O-N 3.21Å; K554-I556 VanDerWaalsContact C-N 3.34Å; K554-I556 PolarHBondContact O-N 3.19Å; K554-W557 PolarHBondContact O-N 3.04Å; K554-I558 HydrophobicContact CB-CD1 4.19Å; K554-I558 HydrophobicContact CG-CD1 4.07Å; K554-I558 WeakPolarHBondContact O-CA 3.45Å; K554-I558 VanDerWaalsContact O-CB 3.32Å; K554-I558 WeakPolarHBondContact O-CB 3.33Å; K554-I558 PolarHBondContact O-N 2.91Å; K554-I565 HydrophobicContact CG-CD1 4.47Å
555Q98.3Very high98.1Very high36 Ų3629.5 Ų29.517%0.16815%0.152CC..Iπ-helixtrans-61.1-44.6178.2-175.217721.700111.2T551 I552 E559 Q560 V594 L596T551-Q555 VanDerWaalsContact O-CB 3.31Å; T551-Q555 WeakPolarHBondContact O-CB 3.4Å; T551-Q555 PolarHBondContact O-N 2.71Å; I552-Q555 PolarHBondContact O-N 3.15Å; Q555-E559 WeakPolarHBondContact O-CB 3.49Å; Q555-E559 PolarHBondContact O-N 3.26Å; Q555-Q560 WeakPolarHBondContact O-CG 3.47Å; Q555-Q560 PolarHBondContact O-N 3.3Å; Q555-V594 VanDerWaalsContact NE2-CG2 3.31Å; Q555-L596 HydrophobicContact CG-CD2 4.17Å
556I98.7Very high97.9Very high0 Ų031.5 Ų31.50%017%0.166CC..Iπ-helixtrans-63.1-53176.3-62.8167.3000110V443 A538 I545 I552 G553 K554 C561 L596V443-I556 HydrophobicContact CG1-CD1 4.29Å; V443-I556 HydrophobicContact CG1-CG1 4.09Å; V443-I556 HydrophobicContact CG1-CG2 4.14Å; V443-I556 HydrophobicContact CG2-CD1 4.26Å; A538-I556 WeakPolarHBondContact O-CG2 3.37Å; I545-I556 HydrophobicContact CG2-CD1 4.32Å; I552-I556 HydrophobicContact CG2-CD1 3.93Å; I552-I556 HydrophobicContact CG2-CG1 4.44Å; I552-I556 VanDerWaalsContact O-CG1 3.29Å; I552-I556 WeakPolarHBondContact O-CG1 3.4Å; I552-I556 PolarHBondContact O-N 3.09Å; G553-I556 PolarHBondContact O-N 2.95Å; K554-I556 VanDerWaalsContact C-N 3.34Å; K554-I556 PolarHBondContact O-N 3.19Å; I556-C561 WeakPolarHBondContact O-CB 3.26Å; I556-C561 PolarHBondContact O-N 3.16Å; I556-C561 PolarHBondContact O-SG 3.26Å; I556-L596 HydrophobicContact CD1-CD1 3.71Å; I556-L596 HydrophobicContact CG1-CD1 3.75Å; I556-L596 HydrophobicContact CG1-CD2 3.91Å; I556-L596 HydrophobicContact CG1-CG 4.49Å
557W98.4Very high97.8Very high4 Ų432 Ų322%0.01517%0.169CC..Iπ-helixtrans-72-52.6-171.5-172.8-81.9000114C539 A543 G553 K554 C561 D562 L563 P564 Q567 M568 L583C539-W557 VanDerWaalsContact SG-CZ3 3.59Å; A543-W557 HydrophobicContact CB-CE3 3.87Å; A543-W557 HydrophobicContact CB-CZ3 3.7Å; G553-W557 WeakPolarHBondContact O-CB 3.22Å; G553-W557 PolarHBondContact O-N 3.5Å; K554-W557 PolarHBondContact O-N 3.04Å; W557-C561 CarbonylContact O-C 3.3Å; W557-C561 WeakPolarHBondContact O-CB 3.5Å; W557-D562 PolarHBondContact O-N 2.57Å; W557-L563 HydrophobicContact CD2-CB 4.47Å; W557-L563 HydrophobicContact CD2-CD1 4.3Å; W557-L563 HydrophobicContact CG-CB 4.43Å; W557-L563 HydrophobicContact CH2-CD1 4.08Å; W557-L563 HydrophobicContact CZ2-CB 4.29Å; W557-L563 HydrophobicContact CZ2-CD1 3.66Å; W557-L563 VanDerWaalsContact NE1-CB 3.34Å; W557-L563 PolarHBondContact O-N 2.98Å; W557-L563 VanDerWaalsContact O-N 3.1Å; W557-P564 PolarHBondContact NE1-O 2.99Å; W557-P564 VanDerWaalsContact NE1-O 3.1Å; W557-Q567 HydrophobicContact CZ2-CB 4.24Å; W557-Q567 WeakPolarHBondContact CZ2-O 3.35Å; W557-M568 HydrophobicContact CB-CE 3.28Å; W557-M568 HydrophobicContact CD2-CB 4.01Å; W557-M568 HydrophobicContact CD2-CE 3.89Å; W557-M568 HydrophobicContact CD2-CG 3.95Å; W557-M568 HydrophobicContact CE3-CE 4.45Å; W557-M568 HydrophobicContact CE3-CG 4.16Å; W557-M568 HydrophobicContact CG-CB 4.35Å; W557-M568 HydrophobicContact CG-CE 3.34Å; W557-M568 HydrophobicContact CG-CG 4.35Å; W557-M568 VanDerWaalsContact CZ2-CA 3.44Å; W557-M568 HydrophobicContact CZ2-CB 4.05Å; W557-L583 HydrophobicContact CH2-CD1 4.3Å; W557-L583 HydrophobicContact CH2-CD2 4.26Å; W557-L583 HydrophobicContact CZ3-CD1 4.09Å
558I98.2Very high97.7Very high62 Ų6232 Ų3232%0.31817%0.169SC..Iπ-helixtrans-84.2-50-173.4-55.1174.2000110.4K554 D562 L563 I565K554-I558 HydrophobicContact CB-CD1 4.19Å; K554-I558 HydrophobicContact CG-CD1 4.07Å; K554-I558 WeakPolarHBondContact O-CA 3.45Å; K554-I558 VanDerWaalsContact O-CB 3.32Å; K554-I558 WeakPolarHBondContact O-CB 3.33Å; K554-I558 PolarHBondContact O-N 2.91Å; I558-D562 VanDerWaalsContact O-CA 3.26Å; I558-D562 WeakPolarHBondContact O-CA 3.47Å; I558-D562 PolarHBondContact O-N 2.95Å; I558-L563 WeakPolarHBondContact CA-O 2.96Å; I558-I565 HydrophobicContact CD1-CB 3.92Å; I558-I565 HydrophobicContact CD1-CD1 4.17Å; I558-I565 HydrophobicContact CD1-CG1 4.38Å; I558-I565 HydrophobicContact CG1-CB 4.47Å
559E98Very high97.6Very high123 Ų12332.5 Ų32.558%0.57517%0.173SC*.Iπ-helixtrans-85.2-40-169.9-58.2175.5-160.200112.9Q555 G591Q555-E559 WeakPolarHBondContact O-CB 3.49Å; Q555-E559 PolarHBondContact O-N 3.26Å; E559-G591 WeakPolarHBondContact O-CA 3.25Å
560Q98.5Very high97.5Very high0 Ų032.6 Ų32.60%017%0.173CC..Iπ-helixtrans-95.2-40-176.1-57.9-166.337.800112.9L447 Q555 I590 G591 V594 L596L447-Q560 HydrophobicContact CD1-CB 3.66Å; Q555-Q560 WeakPolarHBondContact O-CG 3.47Å; Q555-Q560 PolarHBondContact O-N 3.3Å; Q560-I590 WeakPolarHBondContact O-CB 3.34Å; Q560-G591 WeakPolarHBondContact O-CA 3.38Å; Q560-G591 PolarHBondContact O-N 3.19Å; Q560-V594 HydrophobicContact CG-CG2 4.44Å; Q560-V594 VanDerWaalsContact NE2-CG2 3.26Å; Q560-V594 PolarHBondContact NE2-O 3.3Å; Q560-L596 VanDerWaalsContact NE2-CD2 3.25Å
561C98.3Very high97.4Very high0 Ų033.2 Ų33.20%018%0.177CC..SBendtrans-86.2-12.4175.7-720000113.2I556 W557 L563 L584 H588I556-C561 WeakPolarHBondContact O-CB 3.26Å; I556-C561 PolarHBondContact O-N 3.16Å; I556-C561 PolarHBondContact O-SG 3.26Å; W557-C561 CarbonylContact O-C 3.3Å; W557-C561 WeakPolarHBondContact O-CB 3.5Å; C561-L563 HydrophobicContact CB-CG 4.49Å; C561-L584 HydrophobicContact CB-CD2 4.09Å; C561-H588 PolarHBondContact O-NE2 3.24Å
562D97.8Very high97.1Very high92 Ų9232.4 Ų32.449%0.49217%0.168SC..  trans55.947179.2-159.428.8000113.8W557 I558W557-D562 PolarHBondContact O-N 2.57Å; I558-D562 VanDerWaalsContact O-CA 3.26Å; I558-D562 WeakPolarHBondContact O-CA 3.47Å; I558-D562 PolarHBondContact O-N 2.95Å
563L96.8Very high97Very high9 Ų932.4 Ų32.45%0.04717%0.169CC..  trans-113.5142.4175.3-65.6179.4000111.3C539 W557 I558 C561 L584C539-L563 VanDerWaalsContact SG-CD1 3.51Å; W557-L563 HydrophobicContact CD2-CB 4.47Å; W557-L563 HydrophobicContact CD2-CD1 4.3Å; W557-L563 HydrophobicContact CG-CB 4.43Å; W557-L563 HydrophobicContact CH2-CD1 4.08Å; W557-L563 HydrophobicContact CZ2-CB 4.29Å; W557-L563 HydrophobicContact CZ2-CD1 3.66Å; W557-L563 VanDerWaalsContact NE1-CB 3.34Å; W557-L563 PolarHBondContact O-N 2.98Å; W557-L563 VanDerWaalsContact O-N 3.1Å; I558-L563 WeakPolarHBondContact CA-O 2.96Å; C561-L563 HydrophobicContact CB-CG 4.49Å; L563-L584 HydrophobicContact CD1-CD2 3.81Å; L563-L584 HydrophobicContact CD2-CD2 4.28Å; L563-L584 HydrophobicContact CG-CD2 4.05Å
564P96.2Very high96.8Very high60 Ų6034.7 Ų34.739%0.3918%0.18SC..  trans-66.6146.2175.629.4-35.5000111.3W557 S566 Q567W557-P564 PolarHBondContact NE1-O 2.99Å; W557-P564 VanDerWaalsContact NE1-O 3.1Å; P564-S566 PolarHBondContact O-N 3.27Å; P564-S566 VanDerWaalsContact O-N 3.15Å; P564-Q567 HydrophobicContact CG-CB 4.23Å; P564-Q567 HydrophobicContact CG-CG 3.69Å; P564-Q567 PolarHBondContact O-N 2.79Å
565I95.4Very high96.5Very high67 Ų6738 Ų3834%0.34419%0.194SC..G310 helixtrans-60.2-26178.5-170.656.1000113K554 I558 Q567 M568K554-I565 HydrophobicContact CG-CD1 4.47Å; I558-I565 HydrophobicContact CD1-CB 3.92Å; I558-I565 HydrophobicContact CD1-CD1 4.17Å; I558-I565 HydrophobicContact CD1-CG1 4.38Å; I558-I565 HydrophobicContact CG1-CB 4.47Å; I565-Q567 PolarHBondContact O-N 2.86Å; I565-M568 HydrophobicContact CD1-CB 4.14Å; I565-M568 HydrophobicContact CD1-CE 3.81Å; I565-M568 HydrophobicContact CD1-SD 3.95Å; I565-M568 WeakPolarHBondContact O-CB 3.43Å; I565-M568 PolarHBondContact O-N 3.05Å
566S94.9Very high96.3Very high43 Ų4338.5 Ų38.530%0.30120%0.198SC..G310 helixtrans-66.9-19.9177.359.20000113.1T31 K32 P564T31-S566 WeakPolarHBondContact CA-O 3.48Å; K32-S566 WeakPolarHBondContact CG-O 3.42Å; K32-S566 PolarHBondContact N-O 2.82Å; P564-S566 PolarHBondContact O-N 3.27Å; P564-S566 VanDerWaalsContact O-N 3.15Å
567Q96.1Very high96.1Very high31 Ų3144.4 Ų44.415%0.14523%0.226CC..G310 helixtrans-92.5-10.8176-67.3175.1400112.9E29 F30 W557 P564 I565 S569E29-Q567 PolarHBondContact OE1-NE2 2.98Å; F30-Q567 WeakPolarHBondContact O-CA 3.49Å; F30-Q567 WeakPolarHBondContact O-CG 3.41Å; W557-Q567 HydrophobicContact CZ2-CB 4.24Å; W557-Q567 WeakPolarHBondContact CZ2-O 3.35Å; P564-Q567 HydrophobicContact CG-CB 4.23Å; P564-Q567 HydrophobicContact CG-CG 3.69Å; P564-Q567 PolarHBondContact O-N 2.79Å; I565-Q567 PolarHBondContact O-N 2.86Å; Q567-S569 PolarHBondContact O-N 3.27Å
568M97Very high96Very high0 Ų047.8 Ų47.80%024%0.241CC..  trans-69.698.6176.7-168.4-169.2-7700109.7L85 A543 Y546 W557 I565L85-M568 HydrophobicContact CD2-CB 4.28Å; L85-M568 HydrophobicContact CD2-CG 3.69Å; L85-M568 WeakPolarHBondContact CD2-O 3.45Å; L85-M568 HydrophobicContact CD2-SD 3.93Å; A543-M568 HydrophobicContact CB-CG 3.89Å; Y546-M568 HydrophobicContact CD1-SD 3.73Å; Y546-M568 HydrophobicContact CD2-CE 4.38Å; Y546-M568 HydrophobicContact CD2-SD 4.07Å; Y546-M568 HydrophobicContact CE1-SD 4.29Å; Y546-M568 HydrophobicContact CG-CE 4.38Å; Y546-M568 HydrophobicContact CG-SD 3.59Å; Y546-M568 VanDerWaalsContact CG-SD 3.59Å; W557-M568 HydrophobicContact CB-CE 3.28Å; W557-M568 HydrophobicContact CD2-CB 4.01Å; W557-M568 HydrophobicContact CD2-CE 3.89Å; W557-M568 HydrophobicContact CD2-CG 3.95Å; W557-M568 HydrophobicContact CE3-CE 4.45Å; W557-M568 HydrophobicContact CE3-CG 4.16Å; W557-M568 HydrophobicContact CG-CB 4.35Å; W557-M568 HydrophobicContact CG-CE 3.34Å; W557-M568 HydrophobicContact CG-CG 4.35Å; W557-M568 VanDerWaalsContact CZ2-CA 3.44Å; W557-M568 HydrophobicContact CZ2-CB 4.05Å; I565-M568 HydrophobicContact CD1-CB 4.14Å; I565-M568 HydrophobicContact CD1-CE 3.81Å; I565-M568 HydrophobicContact CD1-SD 3.95Å; I565-M568 WeakPolarHBondContact O-CB 3.43Å; I565-M568 PolarHBondContact O-N 3.05Å
569S96.6Very high95.9Very high10 Ų1045.1 Ų45.17%0.0723%0.227CC..  trans-155.8147.2-168.3-177.80000112.5F30 Q567 V571F30-S569 VanDerWaalsContact CE1-OG 3.3Å; F30-S569 WeakPolarHBondContact CE1-OG 3.48Å; Q567-S569 PolarHBondContact O-N 3.27Å; S569-V571 WeakPolarHBondContact OG-CB 3.45Å; S569-V571 WeakPolarHBondContact OG-CG2 3.38Å; S569-V571 PolarHBondContact OG-N 3.4Å; S569-V571 VanDerWaalsContact OG-N 3.09Å
570F96.6Very high95.7Very high1 Ų139.3 Ų39.30%0.00420%0.201CC..SBendtrans-100.8-6.8169-58.4-37.9000113.4Y82 L85 F479 Y482 I483 A543 M544 Q572 I573 I574Y82-F570 HydrophobicContact CD2-CD2 4.38Å; Y82-F570 HydrophobicContact CD2-CE2 4.31Å; Y82-F570 HydrophobicContact CE2-CD2 4.34Å; L85-F570 HydrophobicContact CB-CD2 3.6Å; L85-F570 HydrophobicContact CB-CE2 3.69Å; L85-F570 HydrophobicContact CB-CG 4.28Å; L85-F570 HydrophobicContact CB-CZ 4.43Å; L85-F570 HydrophobicContact CD1-CD2 4.24Å; L85-F570 HydrophobicContact CD1-CE1 4.47Å; L85-F570 HydrophobicContact CD1-CE2 3.46Å; L85-F570 VanDerWaalsContact CD1-CE2 3.46Å; L85-F570 HydrophobicContact CD1-CZ 3.59Å; L85-F570 HydrophobicContact CG-CE2 4.24Å; L85-F570 PolarHBondContact O-N 2.9Å; F479-F570 AromaticContact CE2-CD1 3.84Å; F479-F570 HydrophobicContact CE2-CD1 3.84Å; F479-F570 AromaticContact CE2-CE1 3.91Å; F479-F570 HydrophobicContact CE2-CE1 3.91Å; F479-F570 HydrophobicContact CE2-CG 4.43Å; F479-F570 HydrophobicContact CZ-CB 4.21Å; F479-F570 AromaticContact CZ-CD1 3.67Å; F479-F570 HydrophobicContact CZ-CD1 3.67Å; F479-F570 HydrophobicContact CZ-CE1 4.22Å; F479-F570 AromaticContact CZ-CG 3.96Å; F479-F570 HydrophobicContact CZ-CG 3.96Å; Y482-F570 AromaticContact CE1-CE2 3.96Å; Y482-F570 HydrophobicContact CE1-CE2 3.96Å; Y482-F570 HydrophobicContact CE1-CZ 4.15Å; I483-F570 HydrophobicContact CD1-CB 4.43Å; I483-F570 HydrophobicContact CD1-CD2 3.98Å; I483-F570 HydrophobicContact CD1-CG 4.28Å; A543-F570 HydrophobicContact CB-CE1 3.74Å; A543-F570 HydrophobicContact CB-CZ 4.2Å; M544-F570 HydrophobicContact CG-CE1 4.26Å; M544-F570 HydrophobicContact CG-CZ 4.24Å; F570-Q572 VanDerWaalsContact C-N 3.34Å; F570-Q572 PolarHBondContact O-N 2.66Å; F570-I573 PolarHBondContact O-N 2.84Å; F570-I573 VanDerWaalsContact O-N 3.12Å; F570-I574 HydrophobicContact CB-CD1 3.77Å; F570-I574 HydrophobicContact CB-CG1 4.2Å; F570-I574 WeakPolarHBondContact O-CB 3.25Å; F570-I574 VanDerWaalsContact O-CG1 3.27Å; F570-I574 WeakPolarHBondContact O-CG1 3.38Å; F570-I574 PolarHBondContact O-N 2.87Å
571V95.5Very high95.4Very high18 Ų1839.8 Ų39.811%0.10920%0.203CC..Hα-helixtrans-54.5-46.7-173.1175.90000112.4F30 A86 S569 K575F30-V571 HydrophobicContact CE1-CB 3.68Å; F30-V571 HydrophobicContact CE1-CG1 4.16Å; F30-V571 HydrophobicContact CE1-CG2 4.16Å; F30-V571 HydrophobicContact CE2-CG1 4.36Å; F30-V571 HydrophobicContact CZ-CB 3.71Å; F30-V571 HydrophobicContact CZ-CG1 3.65Å; F30-V571 HydrophobicContact CZ-CG2 4.24Å; A86-V571 WeakPolarHBondContact O-CG2 3.48Å; S569-V571 WeakPolarHBondContact OG-CB 3.45Å; S569-V571 WeakPolarHBondContact OG-CG2 3.38Å; S569-V571 PolarHBondContact OG-N 3.4Å; S569-V571 VanDerWaalsContact OG-N 3.09Å; V571-K575 HydrophobicContact CG1-CD 4.15Å; V571-K575 WeakPolarHBondContact O-CB 3.3Å; V571-K575 VanDerWaalsContact O-CG 3.28Å; V571-K575 WeakPolarHBondContact O-CG 3.31Å; V571-K575 PolarHBondContact O-N 2.99Å
572Q93Very high95.2Very high49 Ų4941 Ų4123%0.22921%0.208CC..Hα-helixtrans-68.3-42.3180-74-65.4-26.600112.2F30 F570 I574 K575 N576F30-Q572 HydrophobicContact CB-CG 3.51Å; F30-Q572 HydrophobicContact CD1-CG 3.81Å; F30-Q572 HydrophobicContact CD2-CG 3.6Å; F30-Q572 HydrophobicContact CE1-CG 4.45Å; F30-Q572 HydrophobicContact CE2-CG 4.23Å; F30-Q572 HydrophobicContact CG-CG 3.32Å; F570-Q572 VanDerWaalsContact C-N 3.34Å; F570-Q572 PolarHBondContact O-N 2.66Å; Q572-I574 VanDerWaalsContact C-N 3.33Å; Q572-I574 PolarHBondContact O-N 2.97Å; Q572-K575 PolarHBondContact O-N 2.91Å; Q572-N576 WeakPolarHBondContact O-CB 3.5Å; Q572-N576 PolarHBondContact O-N 3.5Å; Q572-N576 PolarHBondContact O-ND2 3.39Å
573I95Very high95.1Very high3 Ų337.9 Ų37.92%0.01519%0.191CC..Hα-helixtrans-65-41.6179.8-51.6178.2000110F479 L540 F570 N576 F578 V580F479-I573 HydrophobicContact CD1-CG2 3.63Å; F479-I573 HydrophobicContact CE1-CB 3.88Å; F479-I573 HydrophobicContact CE1-CG2 3.24Å; F479-I573 HydrophobicContact CZ-CB 4.17Å; F479-I573 HydrophobicContact CZ-CD1 4.24Å; F479-I573 HydrophobicContact CZ-CG2 3.9Å; L540-I573 HydrophobicContact CD1-CD1 3.78Å; F570-I573 PolarHBondContact O-N 2.84Å; F570-I573 VanDerWaalsContact O-N 3.12Å; I573-N576 CarbonylContact O-C 3.32Å; I573-N576 PolarHBondContact O-N 3.03Å; I573-F578 WeakPolarHBondContact O-CA 3.27Å; I573-F578 PolarHBondContact O-N 3.43Å; I573-V580 HydrophobicContact CG2-CG2 4.23Å
574I94.9Very high95Very high47 Ų4737.4 Ų37.424%0.24119%0.189CC..Hα-helixtrans-62.7-44.7174.7-67.2166.5000110.7A86 I483 F570 Q572 N576 E577 F578A86-I574 HydrophobicContact CB-CD1 4.34Å; I483-I574 HydrophobicContact CD1-CD1 4.32Å; I483-I574 HydrophobicContact CD1-CG1 4.47Å; F570-I574 HydrophobicContact CB-CD1 3.77Å; F570-I574 HydrophobicContact CB-CG1 4.2Å; F570-I574 WeakPolarHBondContact O-CB 3.25Å; F570-I574 VanDerWaalsContact O-CG1 3.27Å; F570-I574 WeakPolarHBondContact O-CG1 3.38Å; F570-I574 PolarHBondContact O-N 2.87Å; Q572-I574 VanDerWaalsContact C-N 3.33Å; Q572-I574 PolarHBondContact O-N 2.97Å; I574-N576 PolarHBondContact O-N 3.25Å; I574-E577 PolarHBondContact O-N 3.16Å; I574-E577 VanDerWaalsContact O-N 3.1Å; I574-F578 HydrophobicContact CB-CE1 4.5Å; I574-F578 HydrophobicContact CG1-CD1 4.35Å; I574-F578 HydrophobicContact CG1-CE1 4.21Å; I574-F578 HydrophobicContact CG2-CE1 4.22Å
575K92.8Very high94.9Very high143 Ų14335.8 Ų35.862%0.62218%0.178SC*.Hα-helixtrans-62.2-31.5176.4-78.3178.9177.3-1750113.1V571 Q572 E577V571-K575 HydrophobicContact CG1-CD 4.15Å; V571-K575 WeakPolarHBondContact O-CB 3.3Å; V571-K575 VanDerWaalsContact O-CG 3.28Å; V571-K575 WeakPolarHBondContact O-CG 3.31Å; V571-K575 PolarHBondContact O-N 2.99Å; Q572-K575 PolarHBondContact O-N 2.91Å; K575-E577 PolarHBondContact O-N 3.41Å
576N93.6Very high94.9Very high46 Ų4635.7 Ų35.725%0.24618%0.178CC..THydrogen-bonded Turntrans-85.426.9175-69.1-25.7000112.9R19 V23 Q572 I573 I574 F578 T579 T581R19-N576 PolarHBondContact NH2-O 2.95Å; V23-N576 HydrophobicContact CG1-CB 4.45Å; Q572-N576 WeakPolarHBondContact O-CB 3.5Å; Q572-N576 PolarHBondContact O-N 3.5Å; Q572-N576 PolarHBondContact O-ND2 3.39Å; I573-N576 CarbonylContact O-C 3.32Å; I573-N576 PolarHBondContact O-N 3.03Å; I574-N576 PolarHBondContact O-N 3.25Å; N576-F578 VanDerWaalsContact C-N 3.33Å; N576-F578 PolarHBondContact O-N 3.24Å; N576-T579 WeakPolarHBondContact O-CB 3.46Å; N576-T579 PolarHBondContact O-N 3.11Å; N576-T579 VanDerWaalsContact O-N 3.15Å; N576-T579 PolarHBondContact O-OG1 3.12Å; N576-T581 WeakPolarHBondContact ND2-CG2 3.41Å
577E95Very high94.9Very high125 Ų12535.9 Ų35.958%0.58419%0.187SC*.THydrogen-bonded Turntrans53.948.8-179-50.7174.8159.500111.7R19 I574 K575 T579R19-E577 IonicContact CZ-OE2 3.29Å; R19-E577 IonicContact NH1-OE2 3.39Å; R19-E577 PolarHBondContact NH1-OE2 3.03Å; R19-E577 IonicContact NH2-OE2 3.38Å; R19-E577 PolarHBondContact NH2-OE2 2.97Å; I574-E577 PolarHBondContact O-N 3.16Å; I574-E577 VanDerWaalsContact O-N 3.1Å; K575-E577 PolarHBondContact O-N 3.41Å; E577-T579 PolarHBondContact O-N 3.28Å; E577-T579 VanDerWaalsContact O-N 3.13Å; E577-T579 PolarHBondContact O-OG1 3.35Å
578F96.2Very high95Very high74 Ų7436 Ų3633%0.32519%0.187SC..THydrogen-bonded Turntrans64.115.7178.5-41.5-71.3000114.5F479 A480 I483 I573 I574 N576F479-F578 HydrophobicContact CD1-CB 4.1Å; A480-F578 HydrophobicContact CB-CB 3.68Å; A480-F578 HydrophobicContact CB-CD2 3.91Å; A480-F578 HydrophobicContact CB-CG 3.77Å; I483-F578 HydrophobicContact CB-CD1 4.34Å; I483-F578 HydrophobicContact CB-CE1 4.23Å; I483-F578 HydrophobicContact CG1-CD1 4.24Å; I483-F578 HydrophobicContact CG1-CE1 4.49Å; I483-F578 HydrophobicContact CG2-CD1 4.39Å; I483-F578 HydrophobicContact CG2-CE1 3.83Å; I573-F578 WeakPolarHBondContact O-CA 3.27Å; I573-F578 PolarHBondContact O-N 3.43Å; I574-F578 HydrophobicContact CB-CE1 4.5Å; I574-F578 HydrophobicContact CG1-CD1 4.35Å; I574-F578 HydrophobicContact CG1-CE1 4.21Å; I574-F578 HydrophobicContact CG2-CE1 4.22Å; N576-F578 VanDerWaalsContact C-N 3.33Å; N576-F578 PolarHBondContact O-N 3.24Å
579T95.9Very high95Very high6 Ų640.9 Ų40.94%0.03721%0.21CC..PPolyproline II helixtrans-88.6118.7177.8-50.10000109.3R19 V23 N476 N576 E577 T581R19-T579 HydrophobicContact CG-CG2 4.22Å; R19-T579 PolarHBondContact NE-OG1 3.19Å; V23-T579 HydrophobicContact CB-CG2 3.56Å; V23-T579 HydrophobicContact CG1-CG2 3.68Å; V23-T579 HydrophobicContact CG2-CG2 3.91Å; N476-T579 WeakPolarHBondContact ND2-CG2 3.46Å; N576-T579 WeakPolarHBondContact O-CB 3.46Å; N576-T579 PolarHBondContact O-N 3.11Å; N576-T579 VanDerWaalsContact O-N 3.15Å; N576-T579 PolarHBondContact O-OG1 3.12Å; E577-T579 PolarHBondContact O-N 3.28Å; E577-T579 VanDerWaalsContact O-N 3.13Å; E577-T579 PolarHBondContact O-OG1 3.35Å; T579-T581 PolarHBondContact O-N 3.12Å
580V94.1Very high95.1Very high2 Ų240.4 Ų40.41%0.01221%0.207CC..PPolyproline II helixtrans-68.3123.8-175.5176.60000110.2F24 I475 N476 L540 I573F24-V580 HydrophobicContact CD2-CG1 4.32Å; F24-V580 HydrophobicContact CE2-CG1 4.39Å; I475-V580 HydrophobicContact CG2-CG2 4.14Å; N476-V580 WeakPolarHBondContact OD1-CB 3.39Å; N476-V580 WeakPolarHBondContact OD1-CG2 3.35Å; N476-V580 PolarHBondContact OD1-N 2.72Å; L540-V580 HydrophobicContact CD2-CG1 4.15Å; L540-V580 HydrophobicContact CD2-CG2 3.6Å; I573-V580 HydrophobicContact CG2-CG2 4.23Å
581T92.8Very high95.2Very high9 Ų941.2 Ų41.26%0.05522%0.215CC..PPolyproline II helixtrans-87168.916953.20000110.8V23 N576 T579 L583V23-T581 HydrophobicContact CG1-CG2 3.65Å; N576-T581 WeakPolarHBondContact ND2-CG2 3.41Å; T579-T581 PolarHBondContact O-N 3.12Å; T581-L583 PolarHBondContact O-N 3.2Å
582R92.5Very high95.3Very high25 Ų2548.4 Ų48.49%0.09425%0.245CC..PPolyproline II helixtrans-63.3129.8171.9-140.9177.7-59.3-169.411110.2F24 L25 D26 Y27 L584 D586F24-R582 WeakPolarHBondContact O-CB 3.41Å; F24-R582 PolarHBondContact O-NE 3.34Å; L25-R582 VanDerWaalsContact C-NH2 3.29Å; L25-R582 PolarHBondContact O-NH2 3.46Å; D26-R582 WeakPolarHBondContact O-CB 3.44Å; D26-R582 PolarHBondContact O-N 3.2Å; Y27-R582 WeakPolarHBondContact CD2-O 3.23Å; R582-L584 WeakPolarHBondContact CG-O 3.37Å; R582-D586 IonicContact CZ-OD1 2.69Å; R582-D586 IonicContact NH1-OD1 3.36Å; R582-D586 PolarHBondContact NH1-OD1 2.88Å; R582-D586 IonicContact NH1-OD2 2.67Å; R582-D586 PolarHBondContact NH1-OD2 2.77Å
583L95.4Very high95.5Very high27 Ų2747 Ų4714%0.14124%0.24CC..SBendtrans-101-34.2174.5-63.3176.6000111.3N536 C539 L540 W557 T581N536-L583 PolarHBondContact OD1-N 3.06Å; C539-L583 HydrophobicContact CB-CB 4.44Å; C539-L583 HydrophobicContact CB-CD1 4.19Å; L540-L583 HydrophobicContact CB-CD1 3.96Å; W557-L583 HydrophobicContact CH2-CD1 4.3Å; W557-L583 HydrophobicContact CH2-CD2 4.26Å; W557-L583 HydrophobicContact CZ3-CD1 4.09Å; T581-L583 PolarHBondContact O-N 3.2Å
584L96.3Very high95.5Very high0 Ų048.9 Ų48.90%025%0.252CS..SBendtrans-112.5101.6177.4-52.7176.9000108.2I458 A535 N536 C539 C561 L563 R582 I590I458-L584 HydrophobicContact CD1-CB 4.19Å; I458-L584 HydrophobicContact CD1-CD1 3.85Å; I458-L584 HydrophobicContact CG1-CB 4.03Å; I458-L584 HydrophobicContact CG1-CD1 4.44Å; A535-L584 HydrophobicContact CB-CD1 4.12Å; N536-L584 PolarHBondContact ND2-O 2.89Å; N536-L584 PolarHBondContact OD1-N 3.1Å; C539-L584 HydrophobicContact CB-CD1 4.1Å; C539-L584 HydrophobicContact CB-CD2 4.42Å; C539-L584 HydrophobicContact CB-CG 4.15Å; C561-L584 HydrophobicContact CB-CD2 4.09Å; L563-L584 HydrophobicContact CD1-CD2 3.81Å; L563-L584 HydrophobicContact CD2-CD2 4.28Å; L563-L584 HydrophobicContact CG-CD2 4.05Å; R582-L584 WeakPolarHBondContact CG-O 3.37Å; L584-I590 HydrophobicContact CD1-CG2 4.5Å
585P94.1Very high95.6Very high26 Ų2651.4 Ų51.417%0.16927%0.271CS..  trans-69.6166.4-177.727.8-33.4000112.5Y27 G587 H588Y27-P585 HydrophobicContact CD1-CB 4.08Å; Y27-P585 HydrophobicContact CD1-CG 4.44Å; Y27-P585 HydrophobicContact CD2-CB 3.91Å; Y27-P585 HydrophobicContact CD2-CG 4.12Å; Y27-P585 HydrophobicContact CE1-CB 4.28Å; Y27-P585 HydrophobicContact CE1-CG 4.15Å; Y27-P585 HydrophobicContact CE2-CB 4.12Å; Y27-P585 HydrophobicContact CE2-CG 3.81Å; Y27-P585 HydrophobicContact CG-CB 3.88Å; Y27-P585 HydrophobicContact CG-CG 4.43Å; P585-G587 PolarHBondContact O-N 3.06Å; P585-H588 HydrophobicContact CG-CB 4.1Å; P585-H588 WeakPolarHBondContact O-CB 3.25Å; P585-H588 PolarHBondContact O-N 2.76Å
586D93.8Very high95.9Very high64 Ų6445.2 Ų45.234%0.34225%0.245SC..THydrogen-bonded Turntrans-58.6131.3176.1-70.82.3000110.4S460 R582 H588S460-D586 VanDerWaalsContact CA-CG 3.49Å; S460-D586 WeakPolarHBondContact CA-OD2 3.45Å; S460-D586 WeakPolarHBondContact CB-OD2 3.3Å; S460-D586 PolarHBondContact OG-OD2 2.9Å; R582-D586 IonicContact CZ-OD1 2.69Å; R582-D586 IonicContact NH1-OD1 3.36Å; R582-D586 PolarHBondContact NH1-OD1 2.88Å; R582-D586 IonicContact NH1-OD2 2.67Å; R582-D586 PolarHBondContact NH1-OD2 2.77Å; D586-H588 VanDerWaalsContact C-N 3.26Å; D586-H588 PolarHBondContact O-N 2.63Å
587G95.8Very high96.1Very high47 Ų4743.9 Ų43.949%0.48524%0.237SC..THydrogen-bonded Turntrans80.7-1-177.400000114.8I458 P585 H589I458-G587 PolarHBondContact O-N 3.44Å; P585-G587 PolarHBondContact O-N 3.06Å; G587-H589 PolarHBondContact O-N 2.91Å
588H97.4Very high96.1Very high33 Ų3343.1 Ų43.115%0.15323%0.229CC..  trans-58.7132.6173.7-178.571.9000111I457 I458 C561 P585 D586I457-H588 WeakPolarHBondContact CA-O 3.12Å; I458-H588 HydrophobicContact CB-CB 4.27Å; I458-H588 HydrophobicContact CG1-CB 4.02Å; I458-H588 WeakPolarHBondContact CG1-O 3.31Å; I458-H588 PolarHBondContact N-O 3.07Å; C561-H588 PolarHBondContact O-NE2 3.24Å; P585-H588 HydrophobicContact CG-CB 4.1Å; P585-H588 WeakPolarHBondContact O-CB 3.25Å; P585-H588 PolarHBondContact O-N 2.76Å; D586-H588 VanDerWaalsContact C-N 3.26Å; D586-H588 PolarHBondContact O-N 2.63Å
589H98.3Very high96.2Very high103 Ų10346.5 Ų46.548%0.47724%0.243SC..BIsolated β-bridgetrans-94.8114.5178.3-170.6-74.9000109.3S456 G587S456-H589 CarbonylContact O-C 3.48Å; S456-H589 WeakPolarHBondContact O-CA 3.3Å; G587-H589 PolarHBondContact O-N 2.91Å
590I98.5Very high96.2Very high0 Ų046.3 Ų46.30%024%0.242CC..  trans-77.9161.3177.864.5160.6000111.3L447 V450 S456 I458 Q560 L584 P593L447-I590 HydrophobicContact CB-CD1 4.24Å; L447-I590 HydrophobicContact CD2-CD1 4.43Å; L447-I590 WeakPolarHBondContact O-CD1 3.43Å; V450-I590 HydrophobicContact CB-CD1 3.7Å; V450-I590 HydrophobicContact CB-CG1 4.43Å; V450-I590 HydrophobicContact CG1-CD1 3.72Å; V450-I590 HydrophobicContact CG1-CG1 3.9Å; S456-I590 WeakPolarHBondContact O-CG1 3.24Å; S456-I590 PolarHBondContact O-N 2.92Å; I458-I590 HydrophobicContact CD1-CG2 3.86Å; I458-I590 HydrophobicContact CG1-CG2 3.99Å; Q560-I590 WeakPolarHBondContact O-CB 3.34Å; L584-I590 HydrophobicContact CD1-CG2 4.5Å; I590-P593 HydrophobicContact CD1-CG 4.02Å
591G98.1Very high96.3Very high18 Ų1850 Ų5019%0.18626%0.262CS..  trans-73.4-160.3171.300000112.6E559 Q560 P593E559-G591 WeakPolarHBondContact O-CA 3.25Å; Q560-G591 WeakPolarHBondContact O-CA 3.38Å; Q560-G591 PolarHBondContact O-N 3.19Å; G591-P593 VanDerWaalsContact O-CD 3.29Å; G591-P593 WeakPolarHBondContact O-CD 3.43Å
592K97.4Very high96.4Very high169 Ų16952.8 Ų52.874%0.73528%0.279SS*.  trans-88.9115.1-178.8-176.4179.1176.9-178.60110.8V594K592-V594 HydrophobicContact CG-CG1 4.46Å; K592-V594 PolarHBondContact O-N 3.22Å
593P97.3Very high96.6Very high20 Ų2057.1 Ų57.113%0.1330%0.304CS..  trans-66.1134.9176.2-20.635.4000111.2L447 I590 G591L447-P593 VanDerWaalsContact C-CG 3.48Å; L447-P593 HydrophobicContact CB-CB 3.94Å; L447-P593 HydrophobicContact CB-CG 3.88Å; L447-P593 WeakPolarHBondContact O-CG 3.31Å; I590-P593 HydrophobicContact CD1-CG 4.02Å; G591-P593 VanDerWaalsContact O-CD 3.29Å; G591-P593 WeakPolarHBondContact O-CD 3.43Å
594V96.4Very high96.5Very high43 Ų4357.1 Ų57.126%0.26130%0.303SS..  trans-138.4147.8177.3-64.50000111.3Q555 Q560 K592 L596Q555-V594 VanDerWaalsContact NE2-CG2 3.31Å; Q560-V594 HydrophobicContact CG-CG2 4.44Å; Q560-V594 VanDerWaalsContact NE2-CG2 3.26Å; Q560-V594 PolarHBondContact NE2-O 3.3Å; K592-V594 HydrophobicContact CG-CG1 4.46Å; K592-V594 PolarHBondContact O-N 3.22Å; V594-L596 PolarHBondContact O-N 3.06Å
595P96.9Very high96.5Very high99 Ų9957.2 Ų57.264%0.64330%0.304SS*.  trans-56.9128171.4-23.634.1000111.3
596L97.5Very high96.4Very high14 Ų1461.2 Ų61.27%0.07332%0.318CS..  trans-83.1-33.2-175.2-66.1172.8000113.5V443 I552 Q555 I556 Q560 V594V443-L596 HydrophobicContact CB-CD1 3.97Å; V443-L596 HydrophobicContact CG1-CD1 3.83Å; V443-L596 HydrophobicContact CG2-CD1 4.44Å; I552-L596 HydrophobicContact CD1-CB 4.47Å; I552-L596 HydrophobicContact CG2-CD1 4.38Å; I552-L596 HydrophobicContact CG2-CD2 4.47Å; Q555-L596 HydrophobicContact CG-CD2 4.17Å; I556-L596 HydrophobicContact CD1-CD1 3.71Å; I556-L596 HydrophobicContact CG1-CD1 3.75Å; I556-L596 HydrophobicContact CG1-CD2 3.91Å; I556-L596 HydrophobicContact CG1-CG 4.49Å; Q560-L596 VanDerWaalsContact NE2-CD2 3.25Å; V594-L596 PolarHBondContact O-N 3.06Å
597F97.7Very high96.4Very high17 Ų1764.1 Ų64.18%0.07532%0.324CS..  trans-127.3149.9-172.1-51.5-65.8000110.5L435 L436 L439 M549 I552L435-F597 VanDerWaalsContact C-CD2 3.46Å; L435-F597 HydrophobicContact CB-CB 4.48Å; L435-F597 HydrophobicContact CB-CD1 4.07Å; L435-F597 HydrophobicContact CB-CD2 3.81Å; L435-F597 HydrophobicContact CB-CE1 4.24Å; L435-F597 HydrophobicContact CB-CE2 3.99Å; L435-F597 HydrophobicContact CB-CG 3.85Å; L435-F597 HydrophobicContact CB-CZ 4.19Å; L435-F597 HydrophobicContact CD1-CD1 4.28Å; L435-F597 HydrophobicContact CD1-CE1 4.23Å; L435-F597 HydrophobicContact CD2-CE1 4.22Å; L435-F597 HydrophobicContact CD2-CE2 4.34Å; L435-F597 HydrophobicContact CD2-CZ 3.94Å; L435-F597 HydrophobicContact CG-CE1 4.49Å; L435-F597 WeakPolarHBondContact O-CD2 3.44Å; L435-F597 WeakPolarHBondContact O-CE2 3.46Å; L436-F597 HydrophobicContact CB-CB 4.44Å; L436-F597 HydrophobicContact CD1-CB 4.21Å; L436-F597 VanDerWaalsContact CD1-O 3.28Å; L436-F597 WeakPolarHBondContact CD1-O 3.45Å; L439-F597 HydrophobicContact CB-CE2 4.4Å; L439-F597 HydrophobicContact CD2-CE2 4.2Å; L439-F597 HydrophobicContact CD2-CZ 4.1Å; L439-F597 HydrophobicContact CG-CE2 4.22Å; M549-F597 HydrophobicContact CE-CD1 4.48Å; M549-F597 HydrophobicContact CE-CE1 3.53Å; M549-F597 HydrophobicContact CE-CZ 4.12Å; M549-F597 HydrophobicContact SD-CE1 4.43Å; M549-F597 HydrophobicContact SD-CZ 4.46Å; I552-F597 HydrophobicContact CD1-CD1 4.4Å; I552-F597 HydrophobicContact CD1-CE1 3.9Å; I552-F597 HydrophobicContact CG1-CE1 3.88Å; I552-F597 HydrophobicContact CG1-CZ 4.46Å; I552-F597 HydrophobicContact CG2-CE1 4.15Å; I552-F597 HydrophobicContact CG2-CZ 3.86Å
598R96.4Very high96.3Very high110 Ų11061.9 Ų61.942%0.41530%0.302SS..PPolyproline II helixtrans-103.2153.5168.467.7176.8-178.684.9-6.9110.1G400 N431 E604G400-R598 PolarHBondContact O-NH2 2.77Å; N431-R598 PolarHBondContact ND2-O 2.76Å; R598-E604 IonicContact CZ-OE1 3.77Å; R598-E604 IonicContact CZ-OE2 2.81Å; R598-E604 IonicContact NH1-OE1 3.82Å; R598-E604 IonicContact NH1-OE2 3.49Å; R598-E604 PolarHBondContact NH1-OE2 3.03Å; R598-E604 IonicContact NH2-OE1 2.75Å; R598-E604 PolarHBondContact NH2-OE1 3.31Å; R598-E604 IonicContact NH2-OE2 3.33Å; R598-E604 PolarHBondContact NH2-OE2 3Å
599K97.3Very high96Very high145 Ų14562 Ų6263%0.6331%0.306SS*.PPolyproline II helixtrans-64.2138.6166.6-169177.2179.2-177.70109N432 L436N432-K599 WeakPolarHBondContact OD1-CA 3.24Å; L436-K599 HydrophobicContact CD2-CB 3.83Å; L436-K599 HydrophobicContact CD2-CG 4.33Å
600I97.1Very high95.6Very high2 Ų263.3 Ų63.31%0.0131%0.313CS..PPolyproline II helixtrans-100.9125.8165.6-61.8174.3000106.7V405 F427 M428 N431 N432 I605V405-I600 HydrophobicContact CG1-CD1 4.26Å; F427-I600 HydrophobicContact CD1-CD1 4.32Å; F427-I600 HydrophobicContact CE1-CD1 3.78Å; M428-I600 HydrophobicContact CG-CB 4.34Å; M428-I600 HydrophobicContact CG-CG2 4.2Å; M428-I600 WeakPolarHBondContact CG-O 3.45Å; N431-I600 HydrophobicContact CB-CD1 3.85Å; N431-I600 HydrophobicContact CB-CG1 4.49Å; N431-I600 WeakPolarHBondContact ND2-CG1 3.27Å; N432-I600 PolarHBondContact ND2-O 3.18Å; N432-I600 PolarHBondContact OD1-N 3.11Å; I600-I605 HydrophobicContact CG2-CD1 3.63Å; I600-I605 HydrophobicContact CG2-CG1 3.52Å
601D95.2Very high95.1Very high79 Ų7966.4 Ų66.442%0.42233%0.331SS..PPolyproline II helixtrans-96.6166.4-178.96755.1000112.5D603 E604 I605D601-D603 VanDerWaalsContact C-N 3.25Å; D601-D603 PolarHBondContact O-N 2.94Å; D601-D603 WeakPolarHBondContact OD1-CA 3.39Å; D601-D603 PolarHBondContact OD1-N 2.87Å; D601-E604 PolarHBondContact OD1-N 2.84Å; D601-I605 WeakPolarHBondContact O-CG1 3.07Å; D601-I605 PolarHBondContact O-N 3.37Å
602T95.9Very high94.6Very high67 Ų6766.4 Ų66.441%0.41133%0.326SS..Hα-helixtrans-66.1-28.4-176.7-52.60000112.4K606T602-K606 HydrophobicContact CG2-CD 4.24Å; T602-K606 HydrophobicContact CG2-CG 4.5Å; T602-K606 WeakPolarHBondContact O-CB 3.29Å; T602-K606 VanDerWaalsContact O-CG 3.25Å; T602-K606 WeakPolarHBondContact O-CG 3.47Å; T602-K606 PolarHBondContact O-N 3.28Å
603D95.1Very high94Very high117 Ų11760.9 Ų60.963%0.62631%0.309SS*.Hα-helixtrans-77.1-40.1-177.7-67.1-25.2000111D601 I605 K606 R607D601-D603 VanDerWaalsContact C-N 3.25Å; D601-D603 PolarHBondContact O-N 2.94Å; D601-D603 WeakPolarHBondContact OD1-CA 3.39Å; D601-D603 PolarHBondContact OD1-N 2.87Å; D603-I605 VanDerWaalsContact C-N 3.31Å; D603-I605 PolarHBondContact O-N 3.38Å; D603-K606 PolarHBondContact O-N 2.85Å; D603-R607 WeakPolarHBondContact O-CB 3.42Å; D603-R607 PolarHBondContact O-N 2.88Å
604E94.7Very high92.9Very high26 Ų2661.5 Ų61.512%0.12132%0.319CS..Hα-helixtrans-58.3-44.4171-176.9175.5-170.500111.2R598 D601 R607 L608R598-E604 IonicContact CZ-OE1 3.77Å; R598-E604 IonicContact CZ-OE2 2.81Å; R598-E604 IonicContact NH1-OE1 3.82Å; R598-E604 IonicContact NH1-OE2 3.49Å; R598-E604 PolarHBondContact NH1-OE2 3.03Å; R598-E604 IonicContact NH2-OE1 2.75Å; R598-E604 PolarHBondContact NH2-OE1 3.31Å; R598-E604 IonicContact NH2-OE2 3.33Å; R598-E604 PolarHBondContact NH2-OE2 3Å; D601-E604 PolarHBondContact OD1-N 2.84Å; E604-R607 PolarHBondContact O-N 2.94Å; E604-L608 HydrophobicContact CG-CD1 4.06Å; E604-L608 WeakPolarHBondContact O-CG 3.23Å; E604-L608 PolarHBondContact O-N 3.17Å
605I94.7Very high91Very high2 Ų263.3 Ų63.31%0.0133%0.333CS..Hα-helixtrans-67.9-44-179.6-68.6-76.9000111.7W424 F427 M428 I600 D601 D603 R607 L608 S609W424-I605 HydrophobicContact CB-CG2 3.86Å; W424-I605 HydrophobicContact CE3-CD1 3.65Å; W424-I605 HydrophobicContact CE3-CG2 4.45Å; W424-I605 HydrophobicContact CZ3-CD1 4.1Å; F427-I605 HydrophobicContact CD1-CD1 3.93Å; M428-I605 HydrophobicContact CB-CD1 3.85Å; M428-I605 HydrophobicContact CB-CG1 3.77Å; M428-I605 HydrophobicContact CG-CD1 4.48Å; M428-I605 HydrophobicContact CG-CG1 3.96Å; M428-I605 HydrophobicContact SD-CG1 4.06Å; I600-I605 HydrophobicContact CG2-CD1 3.63Å; I600-I605 HydrophobicContact CG2-CG1 3.52Å; D601-I605 WeakPolarHBondContact O-CG1 3.07Å; D601-I605 PolarHBondContact O-N 3.37Å; D603-I605 VanDerWaalsContact C-N 3.31Å; D603-I605 PolarHBondContact O-N 3.38Å; I605-R607 VanDerWaalsContact C-N 3.3Å; I605-R607 PolarHBondContact O-N 2.74Å; I605-L608 PolarHBondContact O-N 3.39Å; I605-S609 WeakPolarHBondContact O-CB 3.46Å; I605-S609 PolarHBondContact O-N 2.79Å; I605-S609 PolarHBondContact O-OG 3.42Å
606K94Very high88.7Confident111 Ų11161.9 Ų61.948%0.48333%0.326SS..Hα-helixtrans-58.8-43.3174.3-79171.2179.6169.20111.6T602 D603 S609 Q610T602-K606 HydrophobicContact CG2-CD 4.24Å; T602-K606 HydrophobicContact CG2-CG 4.5Å; T602-K606 WeakPolarHBondContact O-CB 3.29Å; T602-K606 VanDerWaalsContact O-CG 3.25Å; T602-K606 WeakPolarHBondContact O-CG 3.47Å; T602-K606 PolarHBondContact O-N 3.28Å; D603-K606 PolarHBondContact O-N 2.85Å; K606-S609 PolarHBondContact O-OG 2.77Å; K606-Q610 WeakPolarHBondContact O-CB 3.45Å; K606-Q610 VanDerWaalsContact O-CG 3.28Å; K606-Q610 WeakPolarHBondContact O-CG 3.3Å; K606-Q610 PolarHBondContact O-N 3.21Å; K606-Q610 VanDerWaalsContact O-N 3.1Å
607R93.1Very high85.8Confident124 Ų12465.2 Ų65.247%0.46836%0.363SS..Hα-helixtrans-60.6-49.2176.7-178.1-170.764.985.7-0.9110.7S399 D603 E604 I605 V611S399-R607 PolarHBondContact O-NH2 2.84Å; D603-R607 WeakPolarHBondContact O-CB 3.42Å; D603-R607 PolarHBondContact O-N 2.88Å; E604-R607 PolarHBondContact O-N 2.94Å; I605-R607 VanDerWaalsContact C-N 3.3Å; I605-R607 PolarHBondContact O-N 2.74Å; R607-V611 WeakPolarHBondContact O-CG2 3.21Å; R607-V611 PolarHBondContact O-N 2.97Å
608L92.5Very high82.5Confident1 Ų168.8 Ų68.81%0.00540%0.395CS..Hα-helixtrans-66.1-44.6-179.2-69.6169.9000111.7V401 W424 E604 I605 Q610 V611 Y612V401-L608 HydrophobicContact CG2-CD1 4.23Å; W424-L608 HydrophobicContact CE3-CB 4.31Å; W424-L608 HydrophobicContact CH2-CB 3.43Å; W424-L608 VanDerWaalsContact CH2-CB 3.43Å; W424-L608 HydrophobicContact CH2-CD1 3.78Å; W424-L608 HydrophobicContact CH2-CG 4.1Å; W424-L608 HydrophobicContact CZ2-CB 3.82Å; W424-L608 HydrophobicContact CZ3-CB 3.73Å; W424-L608 HydrophobicContact CZ3-CD1 3.66Å; W424-L608 HydrophobicContact CZ3-CG 4.32Å; E604-L608 HydrophobicContact CG-CD1 4.06Å; E604-L608 WeakPolarHBondContact O-CG 3.23Å; E604-L608 PolarHBondContact O-N 3.17Å; I605-L608 PolarHBondContact O-N 3.39Å; L608-Q610 VanDerWaalsContact C-N 3.33Å; L608-Q610 PolarHBondContact O-N 2.91Å; L608-V611 PolarHBondContact O-N 3.2Å; L608-Y612 HydrophobicContact CD2-CE2 4.19Å; L608-Y612 WeakPolarHBondContact O-CD2 3.4Å; L608-Y612 PolarHBondContact O-N 3.36Å
609S92Very high79.1Confident36 Ų3668 Ų6825%0.25241%0.407SS..Hα-helixtrans-62.8-39.3-178.677.20000112.4W424 I605 K606 V611 Y612 S613W424-S609 VanDerWaalsContact CD1-CB 3.46Å; I605-S609 WeakPolarHBondContact O-CB 3.46Å; I605-S609 PolarHBondContact O-N 2.79Å; I605-S609 PolarHBondContact O-OG 3.42Å; K606-S609 PolarHBondContact O-OG 2.77Å; S609-V611 PolarHBondContact O-N 2.83Å; S609-Y612 CarbonylContact O-C 3.45Å; S609-Y612 PolarHBondContact O-N 3.28Å; S609-S613 WeakPolarHBondContact O-CB 3.5Å; S609-S613 PolarHBondContact O-N 3.47Å
610Q90.6Very high75.7Confident130 Ų13067.4 Ų67.461%0.60742%0.415SS*.Hα-helixtrans-62.1-41.7175.2-77.4177-600112.6K606 L608 Y612 S613 S616K606-Q610 WeakPolarHBondContact O-CB 3.45Å; K606-Q610 VanDerWaalsContact O-CG 3.28Å; K606-Q610 WeakPolarHBondContact O-CG 3.3Å; K606-Q610 PolarHBondContact O-N 3.21Å; K606-Q610 VanDerWaalsContact O-N 3.1Å; L608-Q610 VanDerWaalsContact C-N 3.33Å; L608-Q610 PolarHBondContact O-N 2.91Å; Q610-Y612 PolarHBondContact O-N 2.87Å; Q610-S613 PolarHBondContact O-N 2.89Å; Q610-S613 PolarHBondContact O-OG 2.71Å; Q610-S616 PolarHBondContact O-OG 3.08Å
611V87.3Confident72.3Confident65 Ų6573.7 Ų73.739%0.39445%0.454SS..Hα-helixtrans-58.4-38.2179.31740000110.9R607 L608 S609 S616R607-V611 WeakPolarHBondContact O-CG2 3.21Å; R607-V611 PolarHBondContact O-N 2.97Å; L608-V611 PolarHBondContact O-N 3.2Å; S609-V611 PolarHBondContact O-N 2.83Å; V611-S616 WeakPolarHBondContact CA-OG 3.32Å; V611-S616 PolarHBondContact O-OG 2.95Å; V611-S616 VanDerWaalsContact O-OG 3.06Å
612Y88.3Confident69.1Low17 Ų1776.9 Ų76.97%0.06747%0.471CS..THydrogen-bonded Turntrans-107.212.7-171-52.5-60.1000114.7Y378 G390 V391 D395 W424 L608 S609 Q610 G614Y378-Y612 WeakPolarHBondContact CE1-O 3.47Å; Y378-Y612 VanDerWaalsContact OH-CB 3.31Å; Y378-Y612 WeakPolarHBondContact OH-CB 3.1Å; Y378-Y612 PolarHBondContact OH-O 3.08Å; G390-Y612 PolarHBondContact N-O 3.24Å; V391-Y612 HydrophobicContact CG2-CD2 3.68Å; V391-Y612 HydrophobicContact CG2-CE2 4.18Å; V391-Y612 HydrophobicContact CG2-CG 3.86Å; D395-Y612 HydrophobicContact CB-CD1 4.25Å; D395-Y612 HydrophobicContact CB-CE1 3.4Å; D395-Y612 VanDerWaalsContact CB-CE1 3.4Å; D395-Y612 PolarHBondContact O-OH 3.42Å; W424-Y612 AromaticContact CZ2-CD2 3.74Å; W424-Y612 HydrophobicContact CZ2-CD2 3.74Å; W424-Y612 HydrophobicContact CZ2-CE2 4.19Å; L608-Y612 HydrophobicContact CD2-CE2 4.19Å; L608-Y612 WeakPolarHBondContact O-CD2 3.4Å; L608-Y612 PolarHBondContact O-N 3.36Å; S609-Y612 CarbonylContact O-C 3.45Å; S609-Y612 PolarHBondContact O-N 3.28Å; Q610-Y612 PolarHBondContact O-N 2.87Å; Y612-G614 VanDerWaalsContact C-N 3.34Å
613S83.9Confident65.6Low54 Ų5477.3 Ų77.338%0.37849%0.489SS..BIsolated β-bridgetrans-87.10.8177.970.70000114S609 Q610 S615S609-S613 WeakPolarHBondContact O-CB 3.5Å; S609-S613 PolarHBondContact O-N 3.47Å; Q610-S613 PolarHBondContact O-N 2.89Å; Q610-S613 PolarHBondContact O-OG 2.71Å; S613-S615 VanDerWaalsContact C-N 3.32Å; S613-S615 PolarHBondContact OG-OG 3.14Å; S613-S615 VanDerWaalsContact OG-OG 3.11Å
614G74.5Confident62.4Low33 Ų3378 Ų7834%0.3449%0.493SS..SBendtrans84-3.4-175.200000115.3R387 G388 Y612R387-G614 VanDerWaalsContact O-CA 3.25Å; R387-G614 WeakPolarHBondContact O-CA 3.44Å; G388-G614 WeakPolarHBondContact O-CA 3.39Å; G388-G614 PolarHBondContact O-N 3.24Å; G388-G614 VanDerWaalsContact O-N 3.16Å; Y612-G614 VanDerWaalsContact C-N 3.34Å
615S57Low59.1Low81 Ų8183.1 Ų83.157%0.56652%0.521SS*.G310 helixtrans-85-13.9-175.6-46.70000114S613 G617S613-S615 VanDerWaalsContact C-N 3.32Å; S613-S615 PolarHBondContact OG-OG 3.14Å; S613-S615 VanDerWaalsContact OG-OG 3.11Å; S615-G617 VanDerWaalsContact C-N 3.25Å; S615-G617 PolarHBondContact O-N 3.17Å
616S47.2Very low55.9Low69 Ų6990 Ų9048%0.48356%0.563SS.*G310 helixtrans-79.33.3-168.9-43.40000115.1Q610 V611Q610-S616 PolarHBondContact O-OG 3.08Å; V611-S616 WeakPolarHBondContact CA-OG 3.32Å; V611-S616 PolarHBondContact O-OG 2.95Å; V611-S616 VanDerWaalsContact O-OG 3.06Å
617G37Very low52.9Low83 Ų8398 Ų9886%0.85660%0.598SS**G310 helixtrans-85.3-5.6173.900000115.1S615S615-G617 VanDerWaalsContact C-N 3.25Å; S615-G617 PolarHBondContact O-N 3.17Å
618A28.6Very low50.9Low92 Ų9296.7 Ų96.776%0.7660%0.604SS**SBendtrans-122.5-0.5-166.800000116.8
619S25.2Very low48.7Very low94 Ų94101.7 Ų101.766%0.65764%0.636SS**  trans-158.473.9178.551.70000114.3
620V26.7Very low46.3Very low132 Ų132105.4 Ų105.480%0.866%0.657SS**  trans-128.367.7145.3-171.60000106.5N622V620-N622 PolarHBondContact O-N 3.49Å
621T25.4Very low43.7Very low135 Ų135103.9 Ų103.983%0.82866%0.66SS**  trans-78.3115.2159.1370000106.9G623T621-G623 PolarHBondContact O-N 3.27Å; T621-G623 VanDerWaalsContact O-N 3.12Å
622N27.1Very low40.9Very low145 Ų145106.4 Ų106.478%0.77568%0.677SS**  trans-39.7113.7177.1-70.3-34.4000112V620 N624V620-N622 PolarHBondContact O-N 3.49Å; N622-N624 PolarHBondContact O-N 2.93Å; N622-N624 VanDerWaalsContact O-N 3.13Å
623G23.1Very low37.8Very low77 Ų77112.3 Ų112.379%0.79472%0.718SS**  trans-71.689.8146.800000107.1T621T621-G623 PolarHBondContact O-N 3.27Å; T621-G623 VanDerWaalsContact O-N 3.12Å
624N27Very low34.5Very low131 Ų131116.5 Ų116.570%0.70174%0.742SS**  trans-145.6117.7155.6-112.512.6000108.7N622N622-N624 PolarHBondContact O-N 2.93Å; N622-N624 VanDerWaalsContact O-N 3.13Å
625D26.6Very low31.4Very low134 Ų134122.9 Ų122.972%0.71777%0.773SS**  trans62.1103.3148.6-56-34.5000118.3
626T27.4Very low29.3Very low146 Ų146126.4 Ų126.490%0.89679%0.79SS**  -155.9131.9112.710.30000111.7
627K29.8Very low27.6Very low279 Ų279131.6 Ų131.6100%1.21382%0.818SS**  trans-19.80164.6-73.4173.6172.6176.90118.1

Retrieved 627 of 627 residues in 638.3 ms (Link to these results)

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