A0A5K4F7I2_SCHMA Loading...

Steroid dehydrogenase, putative

AlphaFold DB , UniProt , Accession A0A5K4F7I2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 332 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
1M44.9Very low47.4Very low241 Ų241142.4 Ų142.4100%1.18773%0.729SS**  049.80-71.1-179.9179.200110.7
2V48.8Very low47.2Very low137 Ų137139.2 Ų139.283%0.8372%0.722SS**  trans-138.880.1175.1-175.80000105.1
3D53.1Low47.5Very low138 Ų138136.1 Ų136.174%0.73871%0.713SS**SBendtrans-160-15.5172-99.1-25.2000112.7N5D3-N5 PolarHBondContact O-N 3.47Å
4S54Low47.7Very low91 Ų91138.6 Ų138.664%0.63672%0.719SS**Hα-helixtrans-77.8-14.5179.156.30000114.9
5N50.3Low48Very low130 Ų130136.4 Ų136.470%0.69572%0.721SS**Hα-helixtrans-88.1-19.4-175-92.20.8000114.7D3D3-N5 PolarHBondContact O-N 3.47Å
6Q48.8Very low48.4Very low153 Ų153137.8 Ų137.872%0.71572%0.722SS**Hα-helixtrans-80.2-25.6176.8-85.2-172.5-17.900112.9
7T48.6Very low49.1Very low96 Ų96137.6 Ų137.659%0.58972%0.721SS**Hα-helixtrans-71.9-31.1177.7-33.10000112.2
8Y40.3Very low50.2Low170 Ų170135.1 Ų135.167%0.66771%0.708SS**Hα-helixtrans-74-33.4-177.6-113.4-88.2000113.6H10 Q11Y8-H10 PolarHBondContact O-N 3.26Å; Y8-Q11 PolarHBondContact O-N 2.94Å
9I44.9Very low51.5Low126 Ų126133.9 Ų133.965%0.64670%0.702SS**Hα-helixtrans-69.4-26-179.2-62.6176.1000111.2Q11 T12I9-Q11 PolarHBondContact O-N 2.85Å; I9-T12 PolarHBondContact O-OG1 3.34Å; I9-T12 VanDerWaalsContact O-OG1 3.09Å
10H44.7Very low52.9Low161 Ų161130.9 Ų130.975%0.74569%0.689SS**THydrogen-bonded Turntrans-78.7-12.3177.6-98.1-69.1000115.2Y8Y8-H10 PolarHBondContact O-N 3.26Å
11Q42.8Very low54.2Low123 Ų123127.7 Ų127.758%0.57568%0.677SS**THydrogen-bonded Turntrans-93.8-18.2177.6-77.4-175.5-25.300113.7Y8 I9 T13 Q14Y8-Q11 PolarHBondContact O-N 2.94Å; I9-Q11 PolarHBondContact O-N 2.85Å; Q11-T13 PolarHBondContact O-N 3.26Å; Q11-Q14 PolarHBondContact O-N 2.93Å
12T45.9Very low55.8Low104 Ų104120.9 Ų120.964%0.63865%0.645SS**THydrogen-bonded Turntrans-74.1-2.2-179.422.50000115.5I9I9-T12 PolarHBondContact O-OG1 3.34Å; I9-T12 VanDerWaalsContact O-OG1 3.09Å
13T50Low57.3Low99 Ų99119.9 Ų119.961%0.60763%0.634SS**THydrogen-bonded Turntrans-88.5-4.4173.639.30000114.4Q11Q11-T13 PolarHBondContact O-N 3.26Å
14Q50.2Low58.9Low171 Ų171118.5 Ų118.580%0.79962%0.622SS**THydrogen-bonded Turntrans-85.7-2.9179.5-94.5179.1-19.400115.5Q11 Q16Q11-Q14 PolarHBondContact O-N 2.93Å; Q14-Q16 PolarHBondContact O-N 3Å
15S52.3Low60.5Low106 Ų106119.6 Ų119.674%0.74162%0.615SS**THydrogen-bonded Turntrans-86.49.6171850000113.2L17S15-L17 PolarHBondContact O-N 3.09Å
16Q55.2Low62.2Low159 Ų159116.4 Ų116.474%0.74360%0.601SS**SBendtrans-59.398.2158.2-77.1-172.9-21.500105.6Q14 D18Q14-Q16 PolarHBondContact O-N 3Å; Q16-D18 PolarHBondContact O-N 2.82Å
17L59.7Low64Low135 Ų135115.3 Ų115.371%0.70760%0.599SS**  trans-26.6111.7160.8-106.2124.2000106.4S15 I19 I22S15-L17 PolarHBondContact O-N 3.09Å; L17-I19 WeakPolarHBondContact O-CG1 3.48Å; L17-I19 PolarHBondContact O-N 2.74Å; L17-I22 HydrophobicContact CD2-CD1 3.78Å
18D68.7Low66Low91 Ų91116.8 Ų116.849%0.48760%0.599SS.*  trans-66.491.2-169.5-176.91000107.8Q16 T20 S21 I22Q16-D18 PolarHBondContact O-N 2.82Å; D18-T20 VanDerWaalsContact CG-OG1 3.3Å; D18-T20 PolarHBondContact O-N 2.56Å; D18-T20 WeakPolarHBondContact OD1-CB 3.24Å; D18-T20 PolarHBondContact OD1-N 3.07Å; D18-T20 VanDerWaalsContact OD1-N 3.16Å; D18-T20 PolarHBondContact OD1-OG1 3.1Å; D18-T20 PolarHBondContact OD2-OG1 3.25Å; D18-S21 WeakPolarHBondContact O-CB 3.41Å; D18-S21 PolarHBondContact O-N 2.99Å; D18-S21 PolarHBondContact O-OG 3.33Å; D18-I22 PolarHBondContact O-N 2.86Å
19I75.5Confident68.5Low114 Ų114111.9 Ų111.959%0.58558%0.582SS**Hα-helixtrans-55.1-29.5-176.3-70.3170.8000108.3L17 I22 L23L17-I19 WeakPolarHBondContact O-CG1 3.48Å; L17-I19 PolarHBondContact O-N 2.74Å; I19-I22 PolarHBondContact O-N 3.46Å; I19-L23 HydrophobicContact CG2-CD1 3.67Å; I19-L23 HydrophobicContact CG2-CG 4.15Å; I19-L23 WeakPolarHBondContact O-CB 3.36Å; I19-L23 WeakPolarHBondContact O-CG 3.24Å; I19-L23 PolarHBondContact O-N 2.73Å
20T79.3Confident70.8Confident73 Ų73112.4 Ų112.445%0.44858%0.576SS.*Hα-helixtrans-67.8-37.3178.577.50000112.7D18 L23 K24D18-T20 VanDerWaalsContact CG-OG1 3.3Å; D18-T20 PolarHBondContact O-N 2.56Å; D18-T20 WeakPolarHBondContact OD1-CB 3.24Å; D18-T20 PolarHBondContact OD1-N 3.07Å; D18-T20 VanDerWaalsContact OD1-N 3.16Å; D18-T20 PolarHBondContact OD1-OG1 3.1Å; D18-T20 PolarHBondContact OD2-OG1 3.25Å; T20-L23 PolarHBondContact O-N 2.92Å; T20-K24 WeakPolarHBondContact O-CB 3.38Å; T20-K24 VanDerWaalsContact O-CG 3.29Å; T20-K24 WeakPolarHBondContact O-CG 3.31Å; T20-K24 PolarHBondContact O-N 3Å
21S79.8Confident73.3Confident64 Ų64113 Ų11345%0.44857%0.572SS.*Hα-helixtrans-64.8-43.2175.874.40000111.7D18 L23 K24 F25D18-S21 WeakPolarHBondContact O-CB 3.41Å; D18-S21 PolarHBondContact O-N 2.99Å; D18-S21 PolarHBondContact O-OG 3.33Å; S21-L23 VanDerWaalsContact C-N 3.34Å; S21-L23 PolarHBondContact O-N 2.62Å; S21-K24 PolarHBondContact O-N 2.79Å; S21-F25 PolarHBondContact O-N 2.67Å; S21-F25 VanDerWaalsContact O-N 3.1Å
22I78.6Confident75.8Confident97 Ų97111.5 Ų111.550%0.49757%0.567SS.*Hα-helixtrans-64.7-40.7177.9-65.2171.3000110.4L17 D18 I19 P26L17-I22 HydrophobicContact CD2-CD1 3.78Å; D18-I22 PolarHBondContact O-N 2.86Å; I19-I22 PolarHBondContact O-N 3.46Å; I22-P26 VanDerWaalsContact O-CD 3.28Å; I22-P26 WeakPolarHBondContact O-CD 3.28Å
23L81.2Confident78Confident116 Ų116109.9 Ų109.961%0.60755%0.554SS**Hα-helixtrans-70.2-29.3178-72.3171.2000113.1I19 T20 S21I19-L23 HydrophobicContact CG2-CD1 3.67Å; I19-L23 HydrophobicContact CG2-CG 4.15Å; I19-L23 WeakPolarHBondContact O-CB 3.36Å; I19-L23 WeakPolarHBondContact O-CG 3.24Å; I19-L23 PolarHBondContact O-N 2.73Å; T20-L23 PolarHBondContact O-N 2.92Å; S21-L23 VanDerWaalsContact C-N 3.34Å; S21-L23 PolarHBondContact O-N 2.62Å
24K86.8Confident80.2Confident110 Ų110109.6 Ų109.648%0.47855%0.548SS..Hα-helixtrans-79.8-29.9177.9-76.2177.6-178.4178.80113.4T20 S21 I27 E28T20-K24 WeakPolarHBondContact O-CB 3.38Å; T20-K24 VanDerWaalsContact O-CG 3.29Å; T20-K24 WeakPolarHBondContact O-CG 3.31Å; T20-K24 PolarHBondContact O-N 3Å; S21-K24 PolarHBondContact O-N 2.79Å; K24-I27 CarbonylContact O-C 3.55Å; K24-I27 WeakPolarHBondContact O-CA 3.44Å; K24-I27 WeakPolarHBondContact O-CB 3.45Å; K24-I27 PolarHBondContact O-N 3.01Å; K24-E28 HydrophobicContact CB-CG 4.45Å; K24-E28 PolarHBondContact O-N 2.77Å
25F87.2Confident82.4Confident113 Ų113106.6 Ų106.650%0.49654%0.537SS..Hα-helixtrans-52-47.2-176.7179.9-87.1000114S21 I27 E28 H29 L33S21-F25 PolarHBondContact O-N 2.67Å; S21-F25 VanDerWaalsContact O-N 3.1Å; F25-I27 VanDerWaalsContact C-N 3.29Å; F25-I27 PolarHBondContact O-N 2.9Å; F25-E28 PolarHBondContact O-N 3.4Å; F25-H29 AromaticContact CD2-CD2 3.31Å; F25-H29 WeakPolarHBondContact CD2-CD2 3.21Å; F25-H29 AromaticContact CD2-NE2 3.86Å; F25-H29 AromaticContact CE2-CD2 3.37Å; F25-H29 WeakPolarHBondContact CE2-CD2 3.32Å; F25-H29 AromaticContact CE2-NE2 3.88Å; F25-H29 AromaticContact CG-CD2 3.89Å; F25-H29 HydrophobicContact CZ-CB 4.42Å; F25-H29 WeakPolarHBondContact O-CB 3.45Å; F25-H29 PolarHBondContact O-CD2 2.93Å; F25-H29 PolarHBondContact O-N 2.77Å; F25-L33 HydrophobicContact CE1-CD2 4.46Å
26P85.5Confident84.5Confident63 Ų63106.5 Ų106.541%0.40953%0.527SS..Hα-helixtrans-63.4-33.8175.8-21.132.9000113.5I22 W30 L33I22-P26 VanDerWaalsContact O-CD 3.28Å; I22-P26 WeakPolarHBondContact O-CD 3.28Å; P26-W30 VanDerWaalsContact O-CA 3.3Å; P26-W30 WeakPolarHBondContact O-CA 3.45Å; P26-W30 VanDerWaalsContact O-CB 3.27Å; P26-W30 WeakPolarHBondContact O-CB 3.31Å; P26-W30 PolarHBondContact O-N 3.34Å; P26-L33 HydrophobicContact CB-CD1 4.08Å
27I86.3Confident86.4Confident130 Ų130103.7 Ų103.767%0.66752%0.517SS*.Hα-helixtrans-73-40.9-179.9-58.6173.5000110.3K24 F25 W30K24-I27 CarbonylContact O-C 3.55Å; K24-I27 WeakPolarHBondContact O-CA 3.44Å; K24-I27 WeakPolarHBondContact O-CB 3.45Å; K24-I27 PolarHBondContact O-N 3.01Å; F25-I27 VanDerWaalsContact C-N 3.29Å; F25-I27 PolarHBondContact O-N 2.9Å; I27-W30 VanDerWaalsContact O-CD1 3.32Å
28E91.6Very high88.1Confident128 Ų12899.5 Ų99.560%0.59850%0.502SS*.Hα-helixtrans-76.5-31.8-179.2-68.5177-177.100112.1K24 F25K24-E28 HydrophobicContact CB-CG 4.45Å; K24-E28 PolarHBondContact O-N 2.77Å; F25-E28 PolarHBondContact O-N 3.4Å
29H92.1Very high89.4Confident66 Ų6698.4 Ų98.431%0.30650%0.498SS..SBendtrans-115.418.4-174-58.5-69.8000114.8F25 R31 I32 L33F25-H29 AromaticContact CD2-CD2 3.31Å; F25-H29 WeakPolarHBondContact CD2-CD2 3.21Å; F25-H29 AromaticContact CD2-NE2 3.86Å; F25-H29 AromaticContact CE2-CD2 3.37Å; F25-H29 WeakPolarHBondContact CE2-CD2 3.32Å; F25-H29 AromaticContact CE2-NE2 3.88Å; F25-H29 AromaticContact CG-CD2 3.89Å; F25-H29 HydrophobicContact CZ-CB 4.42Å; F25-H29 WeakPolarHBondContact O-CB 3.45Å; F25-H29 PolarHBondContact O-CD2 2.93Å; F25-H29 PolarHBondContact O-N 2.77Å; H29-R31 PolarHBondContact O-N 3.02Å; H29-I32 HydrophobicContact CB-CB 4.47Å; H29-I32 HydrophobicContact CB-CD1 4.36Å; H29-I32 WeakPolarHBondContact O-CB 3.48Å; H29-I32 PolarHBondContact O-N 3.38Å; H29-L33 PolarHBondContact O-N 3.03Å
30W94.4Very high90.4Very high138 Ų13896.5 Ų96.552%0.52350%0.495SS..Hα-helixtrans-52.8-35.2-176.671-85.4000113.7P26 I27 L33 L34P26-W30 VanDerWaalsContact O-CA 3.3Å; P26-W30 WeakPolarHBondContact O-CA 3.45Å; P26-W30 VanDerWaalsContact O-CB 3.27Å; P26-W30 WeakPolarHBondContact O-CB 3.31Å; P26-W30 PolarHBondContact O-N 3.34Å; I27-W30 VanDerWaalsContact O-CD1 3.32Å; W30-L33 PolarHBondContact O-N 2.85Å; W30-L34 HydrophobicContact CE3-CD1 3.4Å; W30-L34 HydrophobicContact CE3-CG 4.15Å; W30-L34 HydrophobicContact CZ3-CD1 3.38Å; W30-L34 WeakPolarHBondContact O-CG 3.48Å; W30-L34 PolarHBondContact O-N 3.24Å
31R96.1Very high91.1Very high172 Ų17297.8 Ų97.865%0.64950%0.499SS*.Hα-helixtrans-63.7-43.3176.3-65.2-178.9177.2169.7-1.1112.4H29 L33 L34 I35H29-R31 PolarHBondContact O-N 3.02Å; R31-L33 VanDerWaalsContact C-N 3.34Å; R31-L34 PolarHBondContact O-N 3.01Å; R31-I35 WeakPolarHBondContact O-CG1 3.31Å; R31-I35 PolarHBondContact O-N 3.38Å
32I94.6Very high91.8Very high93 Ų9399.8 Ų99.848%0.47750%0.503SS..Hα-helixtrans-64.8-44176.7-59.9176.7000109H29 L34 I35 L36H29-I32 HydrophobicContact CB-CB 4.47Å; H29-I32 HydrophobicContact CB-CD1 4.36Å; H29-I32 WeakPolarHBondContact O-CB 3.48Å; H29-I32 PolarHBondContact O-N 3.38Å; I32-L34 VanDerWaalsContact C-N 3.33Å; I32-L34 PolarHBondContact O-N 3.49Å; I32-I35 PolarHBondContact O-N 2.95Å; I32-L36 HydrophobicContact CG2-CD1 3.99Å; I32-L36 HydrophobicContact CG2-CG 4.3Å; I32-L36 WeakPolarHBondContact O-CB 3.48Å; I32-L36 WeakPolarHBondContact O-CG 3.4Å; I32-L36 PolarHBondContact O-N 2.95Å
33L93.9Very high92.6Very high70 Ų7099.5 Ų99.537%0.36650%0.501SS..Hα-helixtrans-60.5-40.7176.7-66.3174.4000112.2F25 P26 H29 W30 R31 L36 L37F25-L33 HydrophobicContact CE1-CD2 4.46Å; P26-L33 HydrophobicContact CB-CD1 4.08Å; H29-L33 PolarHBondContact O-N 3.03Å; W30-L33 PolarHBondContact O-N 2.85Å; R31-L33 VanDerWaalsContact C-N 3.34Å; L33-L36 PolarHBondContact O-N 3.41Å; L33-L37 VanDerWaalsContact O-CB 3.31Å; L33-L37 WeakPolarHBondContact O-CB 3.34Å; L33-L37 PolarHBondContact O-N 3.25Å
34L94.8Very high93.2Very high92 Ų92100.2 Ų100.248%0.48250%0.497SS..Hα-helixtrans-65-40.9174.8-74.7-177.1000112.8W30 R31 I32 L37 A38W30-L34 HydrophobicContact CE3-CD1 3.4Å; W30-L34 HydrophobicContact CE3-CG 4.15Å; W30-L34 HydrophobicContact CZ3-CD1 3.38Å; W30-L34 WeakPolarHBondContact O-CG 3.48Å; W30-L34 PolarHBondContact O-N 3.24Å; R31-L34 PolarHBondContact O-N 3.01Å; I32-L34 VanDerWaalsContact C-N 3.33Å; I32-L34 PolarHBondContact O-N 3.49Å; L34-L37 PolarHBondContact O-N 3.21Å; L34-A38 WeakPolarHBondContact O-CB 3.48Å; L34-A38 PolarHBondContact O-N 2.86Å
35I96.2Very high93.6Very high108 Ų10899.2 Ų99.255%0.55449%0.493SS*.Hα-helixtrans-64.4-47.4176.3-68165.8000110.1R31 I32 L37 A38 V39R31-I35 WeakPolarHBondContact O-CG1 3.31Å; R31-I35 PolarHBondContact O-N 3.38Å; I32-I35 PolarHBondContact O-N 2.95Å; I35-L37 VanDerWaalsContact C-N 3.3Å; I35-L37 PolarHBondContact O-N 2.86Å; I35-A38 PolarHBondContact O-N 3.18Å; I35-V39 HydrophobicContact CG2-CG2 4.29Å; I35-V39 WeakPolarHBondContact O-CB 3.06Å; I35-V39 VanDerWaalsContact O-CG2 3.3Å; I35-V39 WeakPolarHBondContact O-CG2 3.2Å; I35-V39 PolarHBondContact O-N 2.89Å
36L96.3Very high93.9Very high105 Ų10599 Ų9955%0.5550%0.496SS..Hα-helixtrans-60.4-40.7177.7-71.3174.8000111.7I32 L33 S40I32-L36 HydrophobicContact CG2-CD1 3.99Å; I32-L36 HydrophobicContact CG2-CG 4.3Å; I32-L36 WeakPolarHBondContact O-CB 3.48Å; I32-L36 WeakPolarHBondContact O-CG 3.4Å; I32-L36 PolarHBondContact O-N 2.95Å; L33-L36 PolarHBondContact O-N 3.41Å; L36-S40 VanDerWaalsContact O-CB 3.25Å; L36-S40 WeakPolarHBondContact O-CB 3.22Å; L36-S40 PolarHBondContact O-N 2.97Å
37L95.9Very high94.4Very high99 Ų99100.6 Ų100.652%0.51850%0.501SS..Hα-helixtrans-62.8-48.1174.7-179.563000111.4L33 L34 I35 V39 S40 L41L33-L37 VanDerWaalsContact O-CB 3.31Å; L33-L37 WeakPolarHBondContact O-CB 3.34Å; L33-L37 PolarHBondContact O-N 3.25Å; L34-L37 PolarHBondContact O-N 3.21Å; I35-L37 VanDerWaalsContact C-N 3.3Å; I35-L37 PolarHBondContact O-N 2.86Å; L37-V39 PolarHBondContact O-N 2.79Å; L37-S40 PolarHBondContact O-N 3.37Å; L37-L41 HydrophobicContact CD1-CG 4.5Å; L37-L41 HydrophobicContact CG-CD1 4.32Å; L37-L41 VanDerWaalsContact O-CG 3.3Å; L37-L41 WeakPolarHBondContact O-CG 3.33Å; L37-L41 PolarHBondContact O-N 2.94Å
38A95.7Very high94.8Very high47 Ų4797.5 Ų97.539%0.38848%0.483SS..Hα-helixtrans-61.2-44.5178.400000112L34 I35 L41 I42L34-A38 WeakPolarHBondContact O-CB 3.48Å; L34-A38 PolarHBondContact O-N 2.86Å; I35-A38 PolarHBondContact O-N 3.18Å; A38-L41 PolarHBondContact O-N 2.88Å; A38-I42 VanDerWaalsContact O-CG1 3.32Å; A38-I42 WeakPolarHBondContact O-CG1 3.35Å; A38-I42 PolarHBondContact O-N 2.91Å
39V96.4Very high95Very high68 Ų6893.6 Ų93.641%0.41247%0.468SS..Hα-helixtrans-61.8-45.5175.8170.30000110.8I35 L37 L41 I42 I43I35-V39 HydrophobicContact CG2-CG2 4.29Å; I35-V39 WeakPolarHBondContact O-CB 3.06Å; I35-V39 VanDerWaalsContact O-CG2 3.3Å; I35-V39 WeakPolarHBondContact O-CG2 3.2Å; I35-V39 PolarHBondContact O-N 2.89Å; L37-V39 PolarHBondContact O-N 2.79Å; V39-L41 VanDerWaalsContact C-N 3.33Å; V39-L41 PolarHBondContact O-N 2.97Å; V39-I42 PolarHBondContact O-N 2.77Å; V39-I43 HydrophobicContact CG1-CD1 3.65Å; V39-I43 HydrophobicContact CG1-CG1 4.26Å; V39-I43 VanDerWaalsContact O-CG1 3.31Å; V39-I43 WeakPolarHBondContact O-CG1 3.46Å; V39-I43 PolarHBondContact O-N 3.48Å
40S96Very high95.2Very high74 Ų7494.8 Ų94.852%0.51748%0.48SS..Hα-helixtrans-59.3-42.9176.7-178.80000112.1L36 L37 I42 I43 Y44L36-S40 VanDerWaalsContact O-CB 3.25Å; L36-S40 WeakPolarHBondContact O-CB 3.22Å; L36-S40 PolarHBondContact O-N 2.97Å; L37-S40 PolarHBondContact O-N 3.37Å; S40-I42 PolarHBondContact O-N 2.98Å; S40-I43 PolarHBondContact O-N 3.03Å; S40-Y44 WeakPolarHBondContact O-CB 3.37Å; S40-Y44 PolarHBondContact O-N 3.21Å
41L94.4Very high95.2Very high101 Ų10191.9 Ų91.953%0.52948%0.477SS..Hα-helixtrans-63.5-41.6175.3-69.2173000112.1L37 A38 V39 Y44 K45L37-L41 HydrophobicContact CD1-CG 4.5Å; L37-L41 HydrophobicContact CG-CD1 4.32Å; L37-L41 VanDerWaalsContact O-CG 3.3Å; L37-L41 WeakPolarHBondContact O-CG 3.33Å; L37-L41 PolarHBondContact O-N 2.94Å; A38-L41 PolarHBondContact O-N 2.88Å; V39-L41 VanDerWaalsContact C-N 3.33Å; V39-L41 PolarHBondContact O-N 2.97Å; L41-Y44 PolarHBondContact O-N 3.3Å; L41-K45 WeakPolarHBondContact O-CG 3.42Å; L41-K45 PolarHBondContact O-N 2.95Å; L41-K45 VanDerWaalsContact O-N 3.08Å
42I94.1Very high95.2Very high105 Ų10584.4 Ų84.454%0.53845%0.45SS..Hα-helixtrans-64.7-47.6176.4-68.1165.6000110.7A38 V39 S40 Y44 K45 L46A38-I42 VanDerWaalsContact O-CG1 3.32Å; A38-I42 WeakPolarHBondContact O-CG1 3.35Å; A38-I42 PolarHBondContact O-N 2.91Å; V39-I42 PolarHBondContact O-N 2.77Å; S40-I42 PolarHBondContact O-N 2.98Å; I42-Y44 VanDerWaalsContact C-N 3.3Å; I42-Y44 PolarHBondContact O-N 3.3Å; I42-K45 WeakPolarHBondContact O-CB 3.35Å; I42-K45 PolarHBondContact O-N 3.22Å; I42-K45 VanDerWaalsContact O-N 3.11Å; I42-L46 HydrophobicContact CG2-CD1 4.07Å; I42-L46 HydrophobicContact CG2-CG 4.4Å; I42-L46 WeakPolarHBondContact O-CG 3.45Å; I42-L46 PolarHBondContact O-N 2.93Å
43I95.2Very high95.3Very high91 Ų9182.3 Ų82.347%0.46744%0.444SS..Hα-helixtrans-58.1-45.2177.2-70.2170.1000110.2V39 S40 K45 L46 L47V39-I43 HydrophobicContact CG1-CD1 3.65Å; V39-I43 HydrophobicContact CG1-CG1 4.26Å; V39-I43 VanDerWaalsContact O-CG1 3.31Å; V39-I43 WeakPolarHBondContact O-CG1 3.46Å; V39-I43 PolarHBondContact O-N 3.48Å; S40-I43 PolarHBondContact O-N 3.03Å; I43-K45 VanDerWaalsContact C-N 3.3Å; I43-K45 PolarHBondContact O-N 3.32Å; I43-L46 PolarHBondContact O-N 3.28Å; I43-L46 VanDerWaalsContact O-N 3.11Å; I43-L47 HydrophobicContact CG2-CD1 4.01Å; I43-L47 HydrophobicContact CG2-CG 4.31Å; I43-L47 WeakPolarHBondContact O-CG 3.32Å; I43-L47 PolarHBondContact O-N 2.7Å
44Y94.4Very high95.5Very high132 Ų13284 Ų8452%0.51845%0.448SS..Hα-helixtrans-57.2-43.5176.3176.4-101.3000111.9S40 L41 I42 L47 Q48S40-Y44 WeakPolarHBondContact O-CB 3.37Å; S40-Y44 PolarHBondContact O-N 3.21Å; L41-Y44 PolarHBondContact O-N 3.3Å; I42-Y44 VanDerWaalsContact C-N 3.3Å; I42-Y44 PolarHBondContact O-N 3.3Å; Y44-L47 PolarHBondContact O-N 3.37Å; Y44-Q48 WeakPolarHBondContact O-CG 3.43Å; Y44-Q48 PolarHBondContact O-N 3.29Å
45K94.3Very high95.5Very high89 Ų8980.6 Ų80.639%0.38743%0.429SS..Hα-helixtrans-66.2-38175.2-67.2-57-175.6-179.90112.6L41 I42 I43 Q48 Y307 L311L41-K45 WeakPolarHBondContact O-CG 3.42Å; L41-K45 PolarHBondContact O-N 2.95Å; L41-K45 VanDerWaalsContact O-N 3.08Å; I42-K45 WeakPolarHBondContact O-CB 3.35Å; I42-K45 PolarHBondContact O-N 3.22Å; I42-K45 VanDerWaalsContact O-N 3.11Å; I43-K45 VanDerWaalsContact C-N 3.3Å; I43-K45 PolarHBondContact O-N 3.32Å; K45-Q48 PolarHBondContact O-N 3.45Å; K45-Y307 VanDerWaalsContact C-OH 3.28Å; K45-Y307 VanDerWaalsContact CA-OH 3.24Å; K45-Y307 WeakPolarHBondContact CA-OH 3.46Å; K45-Y307 VanDerWaalsContact CB-OH 3.25Å; K45-Y307 WeakPolarHBondContact CB-OH 3.3Å; K45-Y307 WeakPolarHBondContact CD-OH 3.4Å; K45-Y307 PolarHBondContact O-OH 3.41Å; K45-L311 HydrophobicContact CD-CD2 3.77Å; K45-L311 HydrophobicContact CG-CD2 4.44Å
46L94.3Very high95.6Very high108 Ų10876 Ų7657%0.56541%0.405SS*.Hα-helixtrans-66.2-40.2175.3-68.9173.1000111.7I42 I43 Q48 V49 V50I42-L46 HydrophobicContact CG2-CD1 4.07Å; I42-L46 HydrophobicContact CG2-CG 4.4Å; I42-L46 WeakPolarHBondContact O-CG 3.45Å; I42-L46 PolarHBondContact O-N 2.93Å; I43-L46 PolarHBondContact O-N 3.28Å; I43-L46 VanDerWaalsContact O-N 3.11Å; L46-Q48 VanDerWaalsContact C-N 3.26Å; L46-Q48 PolarHBondContact O-N 3.4Å; L46-V49 WeakPolarHBondContact O-CB 3.32Å; L46-V49 PolarHBondContact O-N 3.3Å; L46-V50 PolarHBondContact O-N 3.1Å; L46-V50 VanDerWaalsContact O-N 3.09Å
47L95.6Very high95.6Very high96 Ų9674.8 Ų74.850%0.50340%0.403SS..Hα-helixtrans-61.4-31.1175.9-74.9172.7000113I43 Y44 V49 V50 T51I43-L47 HydrophobicContact CG2-CD1 4.01Å; I43-L47 HydrophobicContact CG2-CG 4.31Å; I43-L47 WeakPolarHBondContact O-CG 3.32Å; I43-L47 PolarHBondContact O-N 2.7Å; Y44-L47 PolarHBondContact O-N 3.37Å; L47-V49 VanDerWaalsContact C-N 3.35Å; L47-V50 PolarHBondContact O-N 2.63Å; L47-T51 WeakPolarHBondContact O-CB 3.45Å; L47-T51 PolarHBondContact O-N 2.91Å; L47-T51 PolarHBondContact O-OG1 3.03Å
48Q94.6Very high95.6Very high65 Ų6573 Ų7330%0.30440%0.396SS..Hα-helixtrans-64.4-39.3172.5-66-61-38.300111.8Y44 K45 L46 T51 I52 Y307Y44-Q48 WeakPolarHBondContact O-CG 3.43Å; Y44-Q48 PolarHBondContact O-N 3.29Å; K45-Q48 PolarHBondContact O-N 3.45Å; L46-Q48 VanDerWaalsContact C-N 3.26Å; L46-Q48 PolarHBondContact O-N 3.4Å; Q48-T51 WeakPolarHBondContact O-CB 3.46Å; Q48-T51 PolarHBondContact O-N 3.42Å; Q48-I52 WeakPolarHBondContact O-CG1 3.23Å; Q48-I52 PolarHBondContact O-N 2.95Å; Q48-Y307 HydrophobicContact CB-CD2 4.25Å; Q48-Y307 HydrophobicContact CB-CE2 3.58Å; Q48-Y307 HydrophobicContact CG-CE2 4.17Å
49V95.5Very high95.7Very high47 Ų4773.2 Ų73.229%0.28539%0.388SS..Hα-helixtrans-65.9-43175.6-1780000110.8L46 L47 T51 I52 C53 Y307L46-V49 WeakPolarHBondContact O-CB 3.32Å; L46-V49 PolarHBondContact O-N 3.3Å; L47-V49 VanDerWaalsContact C-N 3.35Å; V49-T51 VanDerWaalsContact C-N 3.3Å; V49-T51 PolarHBondContact O-N 3.12Å; V49-I52 WeakPolarHBondContact O-CB 3.49Å; V49-I52 PolarHBondContact O-N 3.08Å; V49-I52 VanDerWaalsContact O-N 3.15Å; V49-C53 PolarHBondContact O-N 3.03Å; V49-C53 PolarHBondContact O-SG 3.18Å; V49-Y307 HydrophobicContact CG2-CD1 3.92Å; V49-Y307 HydrophobicContact CG2-CE1 3.41Å; V49-Y307 VanDerWaalsContact CG2-CE1 3.41Å
50V95.9Very high95.7Very high90 Ų9072.9 Ų72.955%0.54538%0.381SS..Hα-helixtrans-59.6-42.7174.81770000110.8L46 L47 I52 C53 F54L46-V50 PolarHBondContact O-N 3.1Å; L46-V50 VanDerWaalsContact O-N 3.09Å; L47-V50 PolarHBondContact O-N 2.63Å; V50-I52 VanDerWaalsContact C-N 3.33Å; V50-I52 PolarHBondContact O-N 3.18Å; V50-C53 WeakPolarHBondContact O-CB 3.35Å; V50-C53 PolarHBondContact O-N 2.9Å; V50-F54 WeakPolarHBondContact O-CB 3.29Å; V50-F54 PolarHBondContact O-N 3.07Å
51T95.1Very high95.7Very high77 Ų7779.5 Ų79.547%0.47239%0.394SS..Hα-helixtrans-59.5-41.7175.1-58.40000111.9L47 Q48 V49 F54 K55L47-T51 WeakPolarHBondContact O-CB 3.45Å; L47-T51 PolarHBondContact O-N 2.91Å; L47-T51 PolarHBondContact O-OG1 3.03Å; Q48-T51 WeakPolarHBondContact O-CB 3.46Å; Q48-T51 PolarHBondContact O-N 3.42Å; V49-T51 VanDerWaalsContact C-N 3.3Å; V49-T51 PolarHBondContact O-N 3.12Å; T51-F54 PolarHBondContact O-N 2.68Å; T51-K55 VanDerWaalsContact O-CB 3.31Å; T51-K55 WeakPolarHBondContact O-CB 3.43Å; T51-K55 PolarHBondContact O-N 3.04Å
52I96.5Very high95.8Very high15 Ų1577.9 Ų77.98%0.07739%0.391CS..Hα-helixtrans-63.3-46.6174.9-65.9166.5000110.6Q48 V49 V50 F54 K55 F56 F300 E303 Y307Q48-I52 WeakPolarHBondContact O-CG1 3.23Å; Q48-I52 PolarHBondContact O-N 2.95Å; V49-I52 WeakPolarHBondContact O-CB 3.49Å; V49-I52 PolarHBondContact O-N 3.08Å; V49-I52 VanDerWaalsContact O-N 3.15Å; V50-I52 VanDerWaalsContact C-N 3.33Å; V50-I52 PolarHBondContact O-N 3.18Å; I52-F54 PolarHBondContact O-N 3.17Å; I52-K55 WeakPolarHBondContact O-CB 3.33Å; I52-K55 PolarHBondContact O-N 3.15Å; I52-F56 HydrophobicContact CG2-CD2 4.15Å; I52-F56 HydrophobicContact CG2-CE2 4.37Å; I52-F56 WeakPolarHBondContact O-CD2 3.36Å; I52-F56 PolarHBondContact O-N 3.4Å; I52-F300 HydrophobicContact CG2-CD2 3.87Å; I52-F300 HydrophobicContact CG2-CE2 3.81Å; I52-E303 HydrophobicContact CD1-CG 4.32Å; I52-E303 HydrophobicContact CG1-CG 4.07Å; I52-E303 HydrophobicContact CG2-CB 3.98Å; I52-E303 HydrophobicContact CG2-CG 3.98Å; I52-Y307 HydrophobicContact CD1-CD1 4.46Å; I52-Y307 HydrophobicContact CD1-CD2 4.48Å; I52-Y307 HydrophobicContact CD1-CG 3.94Å
53C96.9Very high96Very high50 Ų5078.5 Ų78.534%0.33839%0.39SS..Hα-helixtrans-58.6-47.8176.5-69.20000111.3V49 V50 K55 F56 T57V49-C53 PolarHBondContact O-N 3.03Å; V49-C53 PolarHBondContact O-SG 3.18Å; V50-C53 WeakPolarHBondContact O-CB 3.35Å; V50-C53 PolarHBondContact O-N 2.9Å; C53-K55 VanDerWaalsContact C-N 3.35Å; C53-K55 PolarHBondContact O-N 3.34Å; C53-F56 PolarHBondContact O-N 3.45Å; C53-T57 WeakPolarHBondContact O-CB 3.46Å; C53-T57 WeakPolarHBondContact O-CG2 3.29Å; C53-T57 PolarHBondContact O-N 2.67Å; C53-T57 VanDerWaalsContact O-N 3.1Å; C53-T57 PolarHBondContact O-OG1 3.19Å
54F96.7Very high96.1Very high106 Ų10676.2 Ų76.247%0.46538%0.382SS..Hα-helixtrans-59.4-43.3177.6-177.9-95.9000112.1V50 T51 I52 F56 T57 V58 K59V50-F54 WeakPolarHBondContact O-CB 3.29Å; V50-F54 PolarHBondContact O-N 3.07Å; T51-F54 PolarHBondContact O-N 2.68Å; I52-F54 PolarHBondContact O-N 3.17Å; F54-F56 PolarHBondContact O-N 2.73Å; F54-T57 PolarHBondContact O-N 3.47Å; F54-V58 HydrophobicContact CD2-CB 3.68Å; F54-V58 HydrophobicContact CD2-CG1 4.26Å; F54-V58 HydrophobicContact CD2-CG2 3.8Å; F54-V58 HydrophobicContact CE2-CB 3.45Å; F54-V58 VanDerWaalsContact CE2-CB 3.45Å; F54-V58 HydrophobicContact CE2-CG1 3.5Å; F54-V58 HydrophobicContact CE2-CG2 3.82Å; F54-V58 HydrophobicContact CG-CB 4.37Å; F54-V58 HydrophobicContact CZ-CB 3.95Å; F54-V58 HydrophobicContact CZ-CG1 3.77Å; F54-V58 PolarHBondContact O-N 2.92Å; F54-K59 HydrophobicContact CD1-CB 4.4Å; F54-K59 HydrophobicContact CE1-CB 4.26Å; F54-K59 PolarHBondContact O-N 3.04Å
55K96Very high96.2Very high19 Ų1973.1 Ų73.18%0.08337%0.371CS..Iπ-helixtrans-56.8-47.9177.2170.7174.2164.31660112.5T51 I52 C53 K60 M289 E293 T296 E303T51-K55 VanDerWaalsContact O-CB 3.31Å; T51-K55 WeakPolarHBondContact O-CB 3.43Å; T51-K55 PolarHBondContact O-N 3.04Å; I52-K55 WeakPolarHBondContact O-CB 3.33Å; I52-K55 PolarHBondContact O-N 3.15Å; C53-K55 VanDerWaalsContact C-N 3.35Å; C53-K55 PolarHBondContact O-N 3.34Å; K55-K60 PolarHBondContact O-N 3.32Å; K55-K60 VanDerWaalsContact O-N 3.12Å; K55-M289 HydrophobicContact CG-CE 3.86Å; K55-E293 HydrophobicContact CD-CG 4.07Å; K55-E293 HydrophobicContact CG-CG 4.35Å; K55-T296 VanDerWaalsContact CE-OG1 3.23Å; K55-T296 WeakPolarHBondContact CE-OG1 3.28Å; K55-T296 PolarHBondContact NZ-OG1 3.28Å; K55-E303 IonicContact NZ-OE1 2.8Å; K55-E303 PolarHBondContact NZ-OE1 3.03Å; K55-E303 IonicContact NZ-OE2 3.75Å
56F97.1Very high96.4Very high12 Ų1269.4 Ų69.45%0.05336%0.355CS..Iπ-helixtrans-88-0.7-176.3-74.3-85.9000114.7I52 C53 F54 K60 M289 F300 E303I52-F56 HydrophobicContact CG2-CD2 4.15Å; I52-F56 HydrophobicContact CG2-CE2 4.37Å; I52-F56 WeakPolarHBondContact O-CD2 3.36Å; I52-F56 PolarHBondContact O-N 3.4Å; C53-F56 PolarHBondContact O-N 3.45Å; F54-F56 PolarHBondContact O-N 2.73Å; F56-K60 VanDerWaalsContact O-CE 3.26Å; F56-K60 WeakPolarHBondContact O-CE 3.34Å; F56-K60 PolarHBondContact O-NZ 3.38Å; F56-M289 HydrophobicContact CD1-CE 4.23Å; F56-M289 HydrophobicContact CD1-CG 4.24Å; F56-M289 HydrophobicContact CD1-SD 3.69Å; F56-M289 HydrophobicContact CE1-CE 4.13Å; F56-M289 HydrophobicContact CE1-CG 3.87Å; F56-M289 HydrophobicContact CE1-SD 3.86Å; F56-M289 HydrophobicContact CG-SD 4.49Å; F56-M289 HydrophobicContact CZ-CE 4.49Å; F56-F300 HydrophobicContact CB-CB 4.06Å; F56-F300 HydrophobicContact CB-CD2 4Å; F56-F300 HydrophobicContact CB-CG 4.43Å; F56-F300 HydrophobicContact CD1-CB 3.99Å; F56-F300 HydrophobicContact CD2-CB 4.16Å; F56-F300 AromaticContact CD2-CD2 3.98Å; F56-F300 HydrophobicContact CD2-CD2 3.98Å; F56-F300 HydrophobicContact CE1-CB 4.5Å; F56-F300 HydrophobicContact CG-CB 3.8Å; F56-F300 HydrophobicContact CG-CD2 4.13Å; F56-F300 HydrophobicContact CG-CG 4.47Å; F56-E303 HydrophobicContact CE2-CB 3.55Å; F56-E303 HydrophobicContact CE2-CG 3.78Å; F56-E303 HydrophobicContact CZ-CB 4Å; F56-E303 HydrophobicContact CZ-CG 4.42Å
57T96.7Very high96.5Very high80 Ų8071 Ų7149%0.49136%0.357SS..Iπ-helixtrans-115.6-86175.756.40000110.7C53 F54 W61C53-T57 WeakPolarHBondContact O-CB 3.46Å; C53-T57 WeakPolarHBondContact O-CG2 3.29Å; C53-T57 PolarHBondContact O-N 2.67Å; C53-T57 VanDerWaalsContact O-N 3.1Å; C53-T57 PolarHBondContact O-OG1 3.19Å; F54-T57 PolarHBondContact O-N 3.47Å; T57-W61 VanDerWaalsContact O-CB 3.31Å; T57-W61 WeakPolarHBondContact O-CB 3.41Å; T57-W61 PolarHBondContact O-N 3.5Å
58V96.8Very high96.5Very high61 Ų6169 Ų6937%0.3735%0.349SS..Iπ-helixtrans-64.7-49.7-174.1-176.70000111.5F54 K60 W61 C62F54-V58 HydrophobicContact CD2-CB 3.68Å; F54-V58 HydrophobicContact CD2-CG1 4.26Å; F54-V58 HydrophobicContact CD2-CG2 3.8Å; F54-V58 HydrophobicContact CE2-CB 3.45Å; F54-V58 VanDerWaalsContact CE2-CB 3.45Å; F54-V58 HydrophobicContact CE2-CG1 3.5Å; F54-V58 HydrophobicContact CE2-CG2 3.82Å; F54-V58 HydrophobicContact CG-CB 4.37Å; F54-V58 HydrophobicContact CZ-CB 3.95Å; F54-V58 HydrophobicContact CZ-CG1 3.77Å; F54-V58 PolarHBondContact O-N 2.92Å; V58-K60 VanDerWaalsContact C-N 3.35Å; V58-K60 PolarHBondContact O-N 2.97Å; V58-W61 PolarHBondContact O-N 2.89Å; V58-C62 WeakPolarHBondContact O-CB 3.3Å; V58-C62 PolarHBondContact O-N 3.2Å; V58-C62 PolarHBondContact O-SG 3.4Å; V58-C62 VanDerWaalsContact O-SG 3.33Å
59K96.4Very high96.6Very high52 Ų5265.9 Ų65.923%0.22633%0.334CS..Iπ-helixtrans-63.3-43.3-178.2-160-176.5172.7172.30111.1F54 C62 F63 V292 E293F54-K59 HydrophobicContact CD1-CB 4.4Å; F54-K59 HydrophobicContact CE1-CB 4.26Å; F54-K59 PolarHBondContact O-N 3.04Å; K59-C62 PolarHBondContact O-N 3.08Å; K59-F63 HydrophobicContact CB-CD2 4.4Å; K59-F63 HydrophobicContact CG-CD2 3.56Å; K59-F63 HydrophobicContact CG-CE2 4.11Å; K59-F63 WeakPolarHBondContact O-CB 3.45Å; K59-F63 WeakPolarHBondContact O-CD2 3.41Å; K59-F63 PolarHBondContact O-N 2.98Å; K59-V292 HydrophobicContact CB-CG1 4.19Å; K59-V292 HydrophobicContact CD-CG1 3.96Å; K59-V292 WeakPolarHBondContact CE-O 3.32Å; K59-V292 HydrophobicContact CG-CG1 3.75Å; K59-V292 PolarHBondContact NZ-O 3.36Å; K59-E293 WeakPolarHBondContact CE-OE1 3.45Å; K59-E293 IonicContact NZ-OE1 2.66Å; K59-E293 PolarHBondContact NZ-OE1 2.92Å; K59-E293 IonicContact NZ-OE2 2.77Å; K59-E293 PolarHBondContact NZ-OE2 3.35Å
60K97.3Very high96.6Very high60 Ų6066.9 Ų66.926%0.26134%0.342SS..Hα-helixtrans-58.4-47.5172.8-173.9-172.977.2-1660112K55 F56 V58 S64 D288 M289K55-K60 PolarHBondContact O-N 3.32Å; K55-K60 VanDerWaalsContact O-N 3.12Å; F56-K60 VanDerWaalsContact O-CE 3.26Å; F56-K60 WeakPolarHBondContact O-CE 3.34Å; F56-K60 PolarHBondContact O-NZ 3.38Å; V58-K60 VanDerWaalsContact C-N 3.35Å; V58-K60 PolarHBondContact O-N 2.97Å; K60-S64 WeakPolarHBondContact O-CB 3.28Å; K60-S64 PolarHBondContact O-N 2.99Å; K60-D288 HydrophobicContact CD-CB 3.98Å; K60-D288 HydrophobicContact CG-CB 4.39Å; K60-M289 HydrophobicContact CB-SD 3.93Å; K60-M289 HydrophobicContact CD-SD 3.92Å; K60-M289 HydrophobicContact CG-SD 3.79Å
61W96.7Very high96.7Very high213 Ų21369.9 Ų69.981%0.80735%0.348SS*.Hα-helixtrans-62.7-43.9179.4175.971000112.4T57 V58T57-W61 VanDerWaalsContact O-CB 3.31Å; T57-W61 WeakPolarHBondContact O-CB 3.41Å; T57-W61 PolarHBondContact O-N 3.5Å; V58-W61 PolarHBondContact O-N 2.89Å
62C96.7Very high96.8Very high67 Ų6766.2 Ų66.245%0.45333%0.326SS..Hα-helixtrans-74.8-36.9-179-65.40000114V58 K59V58-C62 WeakPolarHBondContact O-CB 3.3Å; V58-C62 PolarHBondContact O-N 3.2Å; V58-C62 PolarHBondContact O-SG 3.4Å; V58-C62 VanDerWaalsContact O-SG 3.33Å; K59-C62 PolarHBondContact O-N 3.08Å
63F96.9Very high96.9Very high119 Ų11965.8 Ų65.852%0.52232%0.324SS..Hα-helixtrans-120.1-1.9-163.7-59.1-71.2000114.9K59 K65K59-F63 HydrophobicContact CB-CD2 4.4Å; K59-F63 HydrophobicContact CG-CD2 3.56Å; K59-F63 HydrophobicContact CG-CE2 4.11Å; K59-F63 WeakPolarHBondContact O-CB 3.45Å; K59-F63 WeakPolarHBondContact O-CD2 3.41Å; K59-F63 PolarHBondContact O-N 2.98Å; F63-K65 PolarHBondContact O-N 2.84Å
64S97.8Very high97Very high42 Ų4268.3 Ų68.329%0.29433%0.332SS..  trans-61.7123.1176.5-176.40000110.6K60 R66 D288K60-S64 WeakPolarHBondContact O-CB 3.28Å; K60-S64 PolarHBondContact O-N 2.99Å; S64-R66 VanDerWaalsContact C-N 3.35Å; S64-R66 WeakPolarHBondContact OG-CB 3.33Å; S64-R66 PolarHBondContact OG-N 3.22Å; S64-D288 WeakPolarHBondContact CB-O 3.39Å; S64-D288 PolarHBondContact OG-O 3.36Å
65K96.9Very high97.1Very high67 Ų6763.6 Ų63.629%0.29131%0.311SS..  trans-96.39.7176-66.1-176.5178.6-179.60112F63 K67 T68 I253 Y290F63-K65 PolarHBondContact O-N 2.84Å; K65-K67 PolarHBondContact O-N 2.97Å; K65-T68 PolarHBondContact O-N 3.14Å; K65-T68 PolarHBondContact O-OG1 3.26Å; K65-I253 HydrophobicContact CB-CD1 4.17Å; K65-I253 HydrophobicContact CD-CD1 3.51Å; K65-I253 HydrophobicContact CD-CG1 4.47Å; K65-I253 HydrophobicContact CG-CD1 4.46Å; K65-Y290 HydrophobicContact CB-CD1 3.94Å; K65-Y290 HydrophobicContact CB-CE1 4.24Å; K65-Y290 PolarHBondContact N-O 3.01Å
66R97.5Very high97.2Very high12 Ų1262.7 Ų62.75%0.04531%0.307CS..G310 helixtrans-51.5-44.4178.6177176.6169.715114.1111.9S64 T68 L69 E92 E96 K284 L287 D288S64-R66 VanDerWaalsContact C-N 3.35Å; S64-R66 WeakPolarHBondContact OG-CB 3.33Å; S64-R66 PolarHBondContact OG-N 3.22Å; R66-T68 PolarHBondContact O-N 2.81Å; R66-L69 HydrophobicContact CG-CD1 4.49Å; R66-L69 WeakPolarHBondContact O-CB 2.89Å; R66-L69 WeakPolarHBondContact O-CD1 3.26Å; R66-L69 WeakPolarHBondContact O-CG 3.39Å; R66-L69 PolarHBondContact O-N 2.88Å; R66-E92 IonicContact CZ-OE2 3.86Å; R66-E92 IonicContact NH1-OE2 3.12Å; R66-E92 PolarHBondContact NH1-OE2 3.4Å; R66-E92 IonicContact NH2-OE2 2.69Å; R66-E92 PolarHBondContact NH2-OE2 3.16Å; R66-E96 HydrophobicContact CG-CG 4.36Å; R66-E96 IonicContact CZ-OE1 2.73Å; R66-E96 VanDerWaalsContact CZ-OE1 3.3Å; R66-E96 IonicContact NE-OE1 3.47Å; R66-E96 PolarHBondContact NE-OE1 3.41Å; R66-E96 IonicContact NH2-OE1 3.62Å; R66-E96 PolarHBondContact NH2-OE1 2.66Å; R66-K284 PolarHBondContact NH1-O 3.23Å; R66-L287 HydrophobicContact CG-CD2 4.39Å; R66-L287 HydrophobicContact CG-CG 4.11Å; R66-D288 WeakPolarHBondContact CD-OD1 3.38Å; R66-D288 IonicContact CZ-OD1 2.73Å; R66-D288 IonicContact NE-OD1 3.3Å; R66-D288 IonicContact NH1-OD1 2.92Å; R66-D288 PolarHBondContact NH1-OD1 3.42Å
67K95.9Very high97.3Very high142 Ų14262.1 Ų62.162%0.61730%0.304SS*.G310 helixtrans-73.8-6.5-179.8-62.9-54.6-176.2-1730114.9K65 E96K65-K67 PolarHBondContact O-N 2.97Å; K67-E96 VanDerWaalsContact CD-OE2 3.24Å; K67-E96 WeakPolarHBondContact CD-OE2 3.39Å; K67-E96 VanDerWaalsContact NZ-CD 3.25Å; K67-E96 IonicContact NZ-OE1 3.52Å; K67-E96 PolarHBondContact NZ-OE1 3.2Å; K67-E96 IonicContact NZ-OE2 3.17Å; K67-E96 PolarHBondContact NZ-OE2 2.91Å
68T96.4Very high97.4Very high53 Ų5358.3 Ų58.333%0.32528%0.281SS..G310 helixtrans-94.2-8174.172.90000112.6K65 R66 C70 K71 A72K65-T68 PolarHBondContact O-N 3.14Å; K65-T68 PolarHBondContact O-OG1 3.26Å; R66-T68 PolarHBondContact O-N 2.81Å; T68-C70 VanDerWaalsContact C-N 3.31Å; T68-C70 PolarHBondContact O-N 2.92Å; T68-K71 PolarHBondContact O-N 2.83Å; T68-A72 PolarHBondContact O-N 2.85Å
69L97.5Very high97.5Very high0 Ų055.4 Ų55.40%026%0.263CS..Hα-helixtrans-56.2-42.6-178.7-80.3167.3000112.6R66 K71 A72 L93 L98 A152 C153 L287 Y290R66-L69 HydrophobicContact CG-CD1 4.49Å; R66-L69 WeakPolarHBondContact O-CB 2.89Å; R66-L69 WeakPolarHBondContact O-CD1 3.26Å; R66-L69 WeakPolarHBondContact O-CG 3.39Å; R66-L69 PolarHBondContact O-N 2.88Å; L69-K71 PolarHBondContact O-N 2.99Å; L69-K71 VanDerWaalsContact O-N 3.09Å; L69-A72 WeakPolarHBondContact O-CB 3.4Å; L69-A72 PolarHBondContact O-N 2.75Å; L69-L93 HydrophobicContact CD1-CD2 3.86Å; L69-L98 HydrophobicContact CB-CD1 4.22Å; L69-A152 WeakPolarHBondContact O-CB 3.34Å; L69-C153 HydrophobicContact CD2-CB 3.96Å; L69-L287 HydrophobicContact CD1-CD1 3.92Å; L69-L287 HydrophobicContact CD1-CG 4.44Å; L69-Y290 HydrophobicContact CD1-CD1 4.26Å; L69-Y290 HydrophobicContact CD1-CE1 4.49Å; L69-Y290 HydrophobicContact CD2-CD1 4.09Å; L69-Y290 HydrophobicContact CD2-CE1 3.5Å; L69-Y290 HydrophobicContact CD2-CE2 4.44Å; L69-Y290 HydrophobicContact CG-CD1 4.05Å; L69-Y290 HydrophobicContact CG-CE1 3.87Å
70C95.9Very high97.6Very high67 Ų6753.6 Ų53.645%0.45326%0.259SS..Hα-helixtrans-62.7-16177.562.90000114.5T68 E96T68-C70 VanDerWaalsContact C-N 3.31Å; T68-C70 PolarHBondContact O-N 2.92Å; C70-E96 WeakPolarHBondContact CB-O 3.38Å
71K97.3Very high97.7Very high154 Ų15450.8 Ų50.867%0.6725%0.247SC*.Hα-helixtrans-100.3-9.9175-60.2-176.7-179.6-178.20112.5T68 L69 P207T68-K71 PolarHBondContact O-N 2.83Å; L69-K71 PolarHBondContact O-N 2.99Å; L69-K71 VanDerWaalsContact O-N 3.09Å; K71-P207 WeakPolarHBondContact O-CD 3.32Å
72A97.9Very high97.7Very high0 Ų041.1 Ų41.10%021%0.212CC..Hα-helixtrans-87.1-9.5-175.300000113.1T68 L69 A152 Q204 E206 P207T68-A72 PolarHBondContact O-N 2.85Å; L69-A72 WeakPolarHBondContact O-CB 3.4Å; L69-A72 PolarHBondContact O-N 2.75Å; A72-A152 HydrophobicContact CB-CB 4.01Å; A72-Q204 PolarHBondContact O-NE2 3.49Å; A72-E206 VanDerWaalsContact C-CB 3.48Å; A72-E206 VanDerWaalsContact O-CB 3.31Å; A72-E206 WeakPolarHBondContact O-CB 3.47Å; A72-P207 VanDerWaalsContact CA-O 3.28Å; A72-P207 WeakPolarHBondContact CA-O 3.18Å; A72-P207 WeakPolarHBondContact CB-O 3.5Å
73G98.2Very high97.8Very high5 Ų539.7 Ų39.75%0.05220%0.203CC..  trans158.2172.8179.100000110.6L98 T150G73-L98 VanDerWaalsContact O-CD2 3.23Å; G73-L98 WeakPolarHBondContact O-CD2 3.37Å; G73-T150 VanDerWaalsContact CA-OG1 3.31Å; G73-T150 WeakPolarHBondContact CA-OG1 3.4Å
74E98.4Very high97.8Very high104 Ų10434.7 Ų34.749%0.48618%0.184SC..SBendtrans-87.4-29.7-178.9-69.2-176.1175.500113.3N99 S149 T150E74-N99 PolarHBondContact O-N 2.88Å; E74-S149 WeakPolarHBondContact OE2-CB 3.48Å; E74-S149 PolarHBondContact OE2-OG 3.09Å; E74-T150 PolarHBondContact N-O 2.87Å; E74-T150 PolarHBondContact N-OG1 3.18Å
75W98.9Very high97.9Very high7 Ų733.8 Ų33.83%0.02718%0.176CC..EExtended strand (participates in β ladder)trans-113.9145.1-172.7-67.781.2000113.1N99 M101 Q124 R126 L148 T150 I151 A152W75-N99 CarbonylContact C-O 3.48Å; W75-N99 VanDerWaalsContact CA-O 3.28Å; W75-N99 WeakPolarHBondContact CA-O 2.97Å; W75-N99 HydrophobicContact CD2-CB 3.41Å; W75-N99 VanDerWaalsContact CD2-CB 3.41Å; W75-N99 HydrophobicContact CE3-CB 3.45Å; W75-N99 VanDerWaalsContact CE3-CB 3.45Å; W75-N99 HydrophobicContact CG-CB 4.04Å; W75-N99 HydrophobicContact CH2-CB 3.78Å; W75-N99 HydrophobicContact CZ2-CB 3.76Å; W75-N99 HydrophobicContact CZ3-CB 3.64Å; W75-M101 HydrophobicContact CE3-CB 4.49Å; W75-Q124 HydrophobicContact CH2-CB 3.72Å; W75-Q124 HydrophobicContact CZ2-CB 4.15Å; W75-R126 HydrophobicContact CH2-CG 3.74Å; W75-R126 HydrophobicContact CZ3-CB 4.23Å; W75-R126 HydrophobicContact CZ3-CG 3.87Å; W75-L148 HydrophobicContact CB-CB 4.48Å; W75-L148 HydrophobicContact CB-CD1 3.99Å; W75-L148 HydrophobicContact CD2-CD1 4.43Å; W75-L148 HydrophobicContact CD2-CD2 3.57Å; W75-L148 HydrophobicContact CD2-CG 4.42Å; W75-L148 HydrophobicContact CE3-CD2 3.77Å; W75-L148 HydrophobicContact CG-CB 4.15Å; W75-L148 HydrophobicContact CG-CD1 4.17Å; W75-L148 HydrophobicContact CG-CD2 3.94Å; W75-L148 HydrophobicContact CG-CG 4.31Å; W75-L148 HydrophobicContact CH2-CD2 4.49Å; W75-L148 HydrophobicContact CZ2-CD2 4.31Å; W75-L148 HydrophobicContact CZ3-CD2 4.22Å; W75-T150 PolarHBondContact N-O 3.31Å; W75-I151 CarbonylContact O-C 3.56Å; W75-I151 WeakPolarHBondContact O-CA 3.37Å; W75-A152 PolarHBondContact O-N 2.96Å
76A98.9Very high97.9Very high0 Ų030.6 Ų30.60%016%0.162CC..EExtended strand (participates in β ladder)trans-108.9142.4156.100000110.8L93 L98 N99 I100 M101 C153A76-L93 HydrophobicContact CB-CB 4.27Å; A76-L93 HydrophobicContact CB-CD1 3.83Å; A76-L93 HydrophobicContact CB-CG 4.43Å; A76-L98 HydrophobicContact CB-CB 4.47Å; A76-L98 HydrophobicContact CB-CD1 3.97Å; A76-N99 PolarHBondContact N-O 3.18Å; A76-I100 HydrophobicContact CB-CD1 4.01Å; A76-I100 WeakPolarHBondContact O-CA 3.23Å; A76-M101 PolarHBondContact O-N 3.07Å; A76-C153 CarbonylContact C-O 3.57Å; A76-C153 WeakPolarHBondContact CA-O 3.4Å; A76-C153 HydrophobicContact CB-CB 4.29Å
77V98.9Very high98Very high0 Ų031.9 Ų31.90%017%0.169CC..EExtended strand (participates in β ladder)trans-109.9125.6174-175.10000108.4M101 I103 L148 I151 C153 L154 V155 M193 I197V77-M101 WeakPolarHBondContact CA-O 3.47Å; V77-M101 HydrophobicContact CG1-CB 4.42Å; V77-M101 HydrophobicContact CG1-CG 4.32Å; V77-M101 HydrophobicContact CG1-SD 4.22Å; V77-M101 HydrophobicContact CG2-CB 4.2Å; V77-M101 HydrophobicContact CG2-SD 4.34Å; V77-I103 HydrophobicContact CG1-CD1 3.69Å; V77-I103 HydrophobicContact CG1-CG1 4.32Å; V77-L148 HydrophobicContact CG2-CD1 3.77Å; V77-I151 HydrophobicContact CG2-CD1 4.22Å; V77-I151 HydrophobicContact CG2-CG2 4.19Å; V77-C153 PolarHBondContact N-O 3.22Å; V77-L154 HydrophobicContact CB-CD1 4.09Å; V77-L154 HydrophobicContact CG1-CD1 4.14Å; V77-L154 CarbonylContact O-C 3.27Å; V77-L154 WeakPolarHBondContact O-CA 3.31Å; V77-V155 PolarHBondContact O-N 3.28Å; V77-M193 HydrophobicContact CG1-CE 4.11Å; V77-I197 HydrophobicContact CB-CD1 3.93Å; V77-I197 HydrophobicContact CG1-CD1 3.96Å; V77-I197 HydrophobicContact CG2-CD1 3.95Å
78V98.9Very high98.1Very high0 Ų025.4 Ų25.40%014%0.142CC..EExtended strand (participates in β ladder)trans-126.9120.9-177.1-174.20000110A81 G86 A90 L93 I100 M101 I103 V155V78-A81 HydrophobicContact CB-CB 4.08Å; V78-A81 HydrophobicContact CG1-CB 3.92Å; V78-A81 WeakPolarHBondContact O-CB 3.15Å; V78-G86 WeakPolarHBondContact CG1-O 3.41Å; V78-A90 HydrophobicContact CB-CB 4.5Å; V78-A90 HydrophobicContact CG2-CB 4.24Å; V78-L93 HydrophobicContact CG2-CD1 3.92Å; V78-I100 HydrophobicContact CG2-CG2 4.37Å; V78-M101 PolarHBondContact N-O 3.37Å; V78-I103 PolarHBondContact O-N 3.39Å; V78-V155 HydrophobicContact CB-CB 4.47Å; V78-V155 HydrophobicContact CG1-CB 4.13Å; V78-V155 HydrophobicContact CG1-CG1 4.45Å; V78-V155 HydrophobicContact CG2-CB 4.2Å; V78-V155 HydrophobicContact CG2-CG2 4.25Å
79T98.9Very high98.3Very high0 Ų022.9 Ų22.90%013%0.126CC..EExtended strand (participates in β ladder)trans-92.7145.6175.967.50000111.7A81 I103 F132 V155 N157 V158 M193T79-A81 VanDerWaalsContact C-N 3.33Å; T79-I103 CarbonylContact C-O 3.56Å; T79-I103 HydrophobicContact CG2-CB 4.47Å; T79-F132 HydrophobicContact CG2-CE2 4.17Å; T79-F132 HydrophobicContact CG2-CZ 3.77Å; T79-V155 PolarHBondContact N-O 3.44Å; T79-V155 PolarHBondContact OG1-O 2.8Å; T79-N157 VanDerWaalsContact O-CB 3.26Å; T79-N157 WeakPolarHBondContact O-CB 3.35Å; T79-N157 PolarHBondContact O-ND2 3.48Å; T79-N157 PolarHBondContact OG1-N 3.48Å; T79-V158 PolarHBondContact O-N 3.4Å; T79-V158 WeakPolarHBondContact OG1-CG1 3.48Å; T79-V158 PolarHBondContact OG1-N 2.76Å; T79-M193 HydrophobicContact CG2-CE 4.06Å; T79-M193 HydrophobicContact CG2-CG 4.15Å
80G98.5Very high98.3Very high14 Ų1422.9 Ų22.914%0.14413%0.126CC..SBendtrans63.640.6-171.800000111.8I103 N157G80-I103 PolarHBondContact N-O 3.04Å; G80-N157 PolarHBondContact O-ND2 3.49Å; G80-N157 VanDerWaalsContact O-ND2 3.15Å
81A98.5Very high98.5Very high0 Ų020.4 Ų20.40%011%0.108CC..THydrogen-bonded Turntrans-87.2-3.4-169.900000115.1V78 T79 S83 E87 L102 I103 L110V78-A81 HydrophobicContact CB-CB 4.08Å; V78-A81 HydrophobicContact CG1-CB 3.92Å; V78-A81 WeakPolarHBondContact O-CB 3.15Å; T79-A81 VanDerWaalsContact C-N 3.33Å; A81-S83 VanDerWaalsContact C-N 3.32Å; A81-S83 PolarHBondContact O-N 2.92Å; A81-E87 WeakPolarHBondContact O-CA 3.23Å; A81-E87 WeakPolarHBondContact O-CB 3.36Å; A81-L102 HydrophobicContact CB-CB 3.79Å; A81-L102 HydrophobicContact CB-CD2 4.13Å; A81-L102 HydrophobicContact CB-CG 4.18Å; A81-I103 PolarHBondContact N-O 2.91Å; A81-L110 HydrophobicContact CB-CD1 4.18Å
82S97.5Very high98.5Very high11 Ų1113.4 Ų13.48%0.0778%0.078CC..THydrogen-bonded Turntrans-71.2-22.6178.352.50000113.9S104 Q109S82-S104 VanDerWaalsContact CB-OG 3.28Å; S82-S104 WeakPolarHBondContact CB-OG 3.29Å; S82-S104 PolarHBondContact OG-OG 3.19Å; S82-Q109 WeakPolarHBondContact O-CG 3.41Å; S82-Q109 PolarHBondContact O-NE2 2.82Å
83S97.5Very high98.6Very high37 Ų3713.4 Ų13.426%0.2598%0.078SC..SBendtrans-155.7169.2-179.966.10000114.2A81 I85 G86 E87A81-S83 VanDerWaalsContact C-N 3.32Å; A81-S83 PolarHBondContact O-N 2.92Å; S83-I85 PolarHBondContact O-N 3.29Å; S83-G86 PolarHBondContact O-N 3.22Å; S83-E87 WeakPolarHBondContact CA-OE2 3.39Å; S83-E87 PolarHBondContact O-N 3.35Å
84G98.1Very high98.6Very high13 Ų1313.2 Ų13.213%0.1348%0.076CC..Hα-helixtrans63.6-134.3164.800000113.2G86 A88 A279G84-G86 VanDerWaalsContact C-N 3.34Å; G84-G86 PolarHBondContact O-N 3.46Å; G84-A88 WeakPolarHBondContact O-CB 3.43Å; G84-A88 PolarHBondContact O-N 3.43Å; G84-A279 VanDerWaalsContact C-CB 3.44Å; G84-A279 VanDerWaalsContact O-CB 3.29Å; G84-A279 WeakPolarHBondContact O-CB 3.21Å
85I98.6Very high98.6Very high23 Ų2314 Ų1412%0.1188%0.077CC..Hα-helixtrans-64.3-39.1-175.3-66.4172.2000111.1S83 A88 Y89 N157 P259 V262 T264 Y282S83-I85 PolarHBondContact O-N 3.29Å; I85-A88 PolarHBondContact O-N 3.1Å; I85-Y89 HydrophobicContact CG2-CD2 3.61Å; I85-Y89 HydrophobicContact CG2-CE2 3.75Å; I85-Y89 WeakPolarHBondContact O-CD2 3.33Å; I85-Y89 PolarHBondContact O-N 3.2Å; I85-N157 WeakPolarHBondContact CB-OD1 3.37Å; I85-N157 WeakPolarHBondContact CG2-OD1 3.46Å; I85-P259 HydrophobicContact CD1-CG 4.4Å; I85-V262 HydrophobicContact CD1-CB 4.09Å; I85-V262 HydrophobicContact CD1-CG1 4.36Å; I85-V262 HydrophobicContact CD1-CG2 3.97Å; I85-V262 HydrophobicContact CG1-CB 4.37Å; I85-V262 HydrophobicContact CG1-CG1 4.09Å; I85-T264 HydrophobicContact CG1-CG2 4.13Å; I85-Y282 HydrophobicContact CD1-CD1 4Å; I85-Y282 HydrophobicContact CD1-CE1 4.01Å; I85-Y282 HydrophobicContact CG1-CD1 4.02Å; I85-Y282 HydrophobicContact CG1-CE1 4.45Å; I85-Y282 HydrophobicContact CG2-CD1 4.26Å; I85-Y282 HydrophobicContact CG2-CE1 4.31Å
86G98.7Very high98.6Very high0 Ų014.6 Ų14.60%08%0.081CC..Hα-helixtrans-65.6-49.7-179.400000112.2V78 S83 G84 A88 Y89 A90 N157V78-G86 WeakPolarHBondContact CG1-O 3.41Å; S83-G86 PolarHBondContact O-N 3.22Å; G84-G86 VanDerWaalsContact C-N 3.34Å; G84-G86 PolarHBondContact O-N 3.46Å; G86-A88 VanDerWaalsContact C-N 3.3Å; G86-A88 PolarHBondContact O-N 3.42Å; G86-Y89 PolarHBondContact O-N 3.25Å; G86-A90 PolarHBondContact O-N 2.76Å; G86-N157 WeakPolarHBondContact CA-ND2 3.49Å; G86-N157 PolarHBondContact N-ND2 3.43Å; G86-N157 PolarHBondContact N-OD1 2.84Å
87E98.7Very high98.5Very high39 Ų3917.1 Ų17.118%0.18211%0.106CC..Hα-helixtrans-54.2-47.3172.7176.3-177.2-172.200111.3A81 S83 Y89 A90 E91 V113 R116A81-E87 WeakPolarHBondContact O-CA 3.23Å; A81-E87 WeakPolarHBondContact O-CB 3.36Å; S83-E87 WeakPolarHBondContact CA-OE2 3.39Å; S83-E87 PolarHBondContact O-N 3.35Å; E87-Y89 VanDerWaalsContact C-N 3.34Å; E87-Y89 PolarHBondContact O-N 3.3Å; E87-A90 WeakPolarHBondContact O-CB 3.16Å; E87-A90 PolarHBondContact O-N 3.31Å; E87-E91 PolarHBondContact O-N 3.17Å; E87-V113 HydrophobicContact CG-CG1 3.86Å; E87-V113 HydrophobicContact CG-CG2 4.03Å; E87-R116 IonicContact OE1-CZ 3.36Å; E87-R116 IonicContact OE1-NH2 2.68Å; E87-R116 PolarHBondContact OE1-NH2 3.37Å
88A98.8Very high98.5Very high6 Ų617.2 Ų17.25%0.0511%0.107CC..Hα-helixtrans-65.8-34.4-179.800000113.1G84 I85 G86 E92 A279 A283G84-A88 WeakPolarHBondContact O-CB 3.43Å; G84-A88 PolarHBondContact O-N 3.43Å; I85-A88 PolarHBondContact O-N 3.1Å; G86-A88 VanDerWaalsContact C-N 3.3Å; G86-A88 PolarHBondContact O-N 3.42Å; A88-E92 WeakPolarHBondContact O-CG 3.22Å; A88-E92 PolarHBondContact O-N 2.69Å; A88-E92 VanDerWaalsContact O-N 3.08Å; A88-A279 HydrophobicContact CB-CB 3.97Å; A88-A279 WeakPolarHBondContact CB-O 3.41Å; A88-A283 HydrophobicContact CB-CB 3.51Å
89Y98.8Very high98.5Very high0 Ų018.3 Ų18.30%011%0.113CC..Hα-helixtrans-67-43.9171.2-99.1-78000111.7I85 G86 E87 E91 E92 L93 V155 I212 I214 A283 A286 L287I85-Y89 HydrophobicContact CG2-CD2 3.61Å; I85-Y89 HydrophobicContact CG2-CE2 3.75Å; I85-Y89 WeakPolarHBondContact O-CD2 3.33Å; I85-Y89 PolarHBondContact O-N 3.2Å; G86-Y89 PolarHBondContact O-N 3.25Å; E87-Y89 VanDerWaalsContact C-N 3.34Å; E87-Y89 PolarHBondContact O-N 3.3Å; Y89-E91 VanDerWaalsContact C-N 3.29Å; Y89-E91 PolarHBondContact O-N 3.29Å; Y89-E92 PolarHBondContact O-N 2.69Å; Y89-L93 WeakPolarHBondContact O-CB 3.28Å; Y89-L93 WeakPolarHBondContact O-CD1 3.24Å; Y89-L93 VanDerWaalsContact O-CG 3.23Å; Y89-L93 WeakPolarHBondContact O-CG 3.5Å; Y89-L93 PolarHBondContact O-N 3.46Å; Y89-V155 HydrophobicContact CD1-CG1 4.34Å; Y89-V155 HydrophobicContact CD1-CG2 4.11Å; Y89-V155 HydrophobicContact CD2-CG1 4.2Å; Y89-V155 HydrophobicContact CG-CG1 4.03Å; Y89-V155 HydrophobicContact CG-CG2 4.43Å; Y89-I212 HydrophobicContact CE1-CD1 3.96Å; Y89-I214 HydrophobicContact CD2-CD1 4.47Å; Y89-I214 HydrophobicContact CE2-CD1 3.69Å; Y89-A283 HydrophobicContact CD2-CB 4Å; Y89-A283 HydrophobicContact CE2-CB 4.35Å; Y89-A283 HydrophobicContact CG-CB 4.25Å; Y89-A286 HydrophobicContact CE2-CB 4.48Å; Y89-A286 WeakPolarHBondContact OH-CB 3.36Å; Y89-L287 HydrophobicContact CD1-CD1 4.32Å; Y89-L287 HydrophobicContact CE1-CB 4.06Å; Y89-L287 HydrophobicContact CE1-CD1 4Å
90A98.9Very high98.5Very high0 Ų018.3 Ų18.30%011%0.113CC..Hα-helixtrans-56.5-45176.800000111.2V78 G86 E87 L93 A94 I100 L102 I117V78-A90 HydrophobicContact CB-CB 4.5Å; V78-A90 HydrophobicContact CG2-CB 4.24Å; G86-A90 PolarHBondContact O-N 2.76Å; E87-A90 WeakPolarHBondContact O-CB 3.16Å; E87-A90 PolarHBondContact O-N 3.31Å; A90-L93 PolarHBondContact O-N 3.13Å; A90-A94 WeakPolarHBondContact O-CB 3.47Å; A90-A94 PolarHBondContact O-N 3.32Å; A90-I100 HydrophobicContact CB-CG2 3.98Å; A90-L102 HydrophobicContact CB-CD2 4.45Å; A90-I117 HydrophobicContact CB-CD1 3.7Å
91E98.8Very high98.5Very high16 Ų1617.7 Ų17.78%0.07511%0.106CC..Hα-helixtrans-61.2-48.8173.4-76.3-174-150.300113.3E87 Y89 L93 A94 K95 R116 I117 Y121 K280E87-E91 PolarHBondContact O-N 3.17Å; Y89-E91 VanDerWaalsContact C-N 3.29Å; Y89-E91 PolarHBondContact O-N 3.29Å; E91-L93 VanDerWaalsContact C-N 3.27Å; E91-L93 PolarHBondContact O-N 3.35Å; E91-A94 PolarHBondContact O-N 2.81Å; E91-K95 WeakPolarHBondContact O-CB 3.47Å; E91-K95 PolarHBondContact O-N 2.83Å; E91-R116 VanDerWaalsContact CD-NH1 3.27Å; E91-R116 IonicContact OE1-CZ 3.07Å; E91-R116 IonicContact OE1-NH1 3.75Å; E91-R116 PolarHBondContact OE1-NH1 2.9Å; E91-R116 IonicContact OE1-NH2 2.68Å; E91-R116 PolarHBondContact OE1-NH2 3.47Å; E91-R116 IonicContact OE2-NH1 2.69Å; E91-I117 HydrophobicContact CG-CD1 4.09Å; E91-I117 HydrophobicContact CG-CG1 3.99Å; E91-Y121 HydrophobicContact CB-CE2 4.24Å; E91-Y121 HydrophobicContact CG-CE2 4.29Å; E91-K280 IonicContact OE2-NZ 3Å; E91-K280 PolarHBondContact OE2-NZ 2.88Å
92E98.8Very high98.5Very high6 Ų617.7 Ų17.73%0.02811%0.106CC..Hα-helixtrans-67.5-28.7-176.9-71.7-72.2138.300112.3R66 A88 Y89 A283 K284 L287R66-E92 IonicContact CZ-OE2 3.86Å; R66-E92 IonicContact NH1-OE2 3.12Å; R66-E92 PolarHBondContact NH1-OE2 3.4Å; R66-E92 IonicContact NH2-OE2 2.69Å; R66-E92 PolarHBondContact NH2-OE2 3.16Å; A88-E92 WeakPolarHBondContact O-CG 3.22Å; A88-E92 PolarHBondContact O-N 2.69Å; A88-E92 VanDerWaalsContact O-N 3.08Å; Y89-E92 PolarHBondContact O-N 2.69Å; E92-A283 HydrophobicContact CG-CB 4.4Å; E92-K284 HydrophobicContact CG-CB 4.22Å; E92-K284 WeakPolarHBondContact OE2-CG 3.31Å; E92-L287 HydrophobicContact CB-CD2 3.76Å
93L98.9Very high98.6Very high0 Ų017.2 Ų17.20%010%0.103CC..Hα-helixtrans-75.1-41.8173.6-71.2163.8000111.8L69 A76 V78 Y89 A90 E91 K95 E96 L98 I100 C153 V155 L287L69-L93 HydrophobicContact CD1-CD2 3.86Å; A76-L93 HydrophobicContact CB-CB 4.27Å; A76-L93 HydrophobicContact CB-CD1 3.83Å; A76-L93 HydrophobicContact CB-CG 4.43Å; V78-L93 HydrophobicContact CG2-CD1 3.92Å; Y89-L93 WeakPolarHBondContact O-CB 3.28Å; Y89-L93 WeakPolarHBondContact O-CD1 3.24Å; Y89-L93 VanDerWaalsContact O-CG 3.23Å; Y89-L93 WeakPolarHBondContact O-CG 3.5Å; Y89-L93 PolarHBondContact O-N 3.46Å; A90-L93 PolarHBondContact O-N 3.13Å; E91-L93 VanDerWaalsContact C-N 3.27Å; E91-L93 PolarHBondContact O-N 3.35Å; L93-K95 PolarHBondContact O-N 3.12Å; L93-E96 PolarHBondContact O-N 2.68Å; L93-L98 HydrophobicContact CB-CD1 4.4Å; L93-L98 HydrophobicContact CD2-CD1 4Å; L93-L98 PolarHBondContact O-N 2.83Å; L93-I100 HydrophobicContact CB-CD1 3.81Å; L93-C153 HydrophobicContact CD2-CB 4.36Å; L93-V155 HydrophobicContact CD1-CG2 3.7Å; L93-L287 HydrophobicContact CD2-CD1 4Å; L93-L287 HydrophobicContact CD2-CD2 4.1Å; L93-L287 HydrophobicContact CG-CD2 4.29Å
94A98.8Very high98.6Very high2 Ų215.6 Ų15.62%0.0179%0.091CC..Hα-helixtrans-61.5-37174.100000111.6A90 E91 E96 G97 I100 I117 Y121 V123A90-A94 WeakPolarHBondContact O-CB 3.47Å; A90-A94 PolarHBondContact O-N 3.32Å; E91-A94 PolarHBondContact O-N 2.81Å; A94-E96 PolarHBondContact O-N 3.07Å; A94-G97 WeakPolarHBondContact O-CA 3.18Å; A94-G97 PolarHBondContact O-N 3.41Å; A94-I100 HydrophobicContact CB-CD1 4.13Å; A94-I100 HydrophobicContact CB-CG1 3.88Å; A94-I117 HydrophobicContact CB-CG2 3.52Å; A94-Y121 HydrophobicContact CB-CD2 3.66Å; A94-Y121 HydrophobicContact CB-CE2 4.34Å; A94-Y121 HydrophobicContact CB-CG 4.01Å; A94-V123 HydrophobicContact CB-CG2 3.91Å
95K98.3Very high98.6Very high119 Ų11920 Ų2052%0.51711%0.112SC..THydrogen-bonded Turntrans-61.6-23.8173.2-175.9175.9179.3179.60113.7E91 L93 G97 Y121E91-K95 WeakPolarHBondContact O-CB 3.47Å; E91-K95 PolarHBondContact O-N 2.83Å; L93-K95 PolarHBondContact O-N 3.12Å; K95-G97 VanDerWaalsContact C-N 3.26Å; K95-Y121 HydrophobicContact CB-CD1 4.12Å; K95-Y121 HydrophobicContact CB-CE1 3.83Å; K95-Y121 HydrophobicContact CG-CE1 4.18Å
96E97.6Very high98.5Very high21 Ų2122.4 Ų22.410%0.09813%0.125CC..THydrogen-bonded Turntrans-86.24.8171.3-58.3-59.315100112.8R66 K67 C70 L93 A94R66-E96 HydrophobicContact CG-CG 4.36Å; R66-E96 IonicContact CZ-OE1 2.73Å; R66-E96 VanDerWaalsContact CZ-OE1 3.3Å; R66-E96 IonicContact NE-OE1 3.47Å; R66-E96 PolarHBondContact NE-OE1 3.41Å; R66-E96 IonicContact NH2-OE1 3.62Å; R66-E96 PolarHBondContact NH2-OE1 2.66Å; K67-E96 VanDerWaalsContact CD-OE2 3.24Å; K67-E96 WeakPolarHBondContact CD-OE2 3.39Å; K67-E96 VanDerWaalsContact NZ-CD 3.25Å; K67-E96 IonicContact NZ-OE1 3.52Å; K67-E96 PolarHBondContact NZ-OE1 3.2Å; K67-E96 IonicContact NZ-OE2 3.17Å; K67-E96 PolarHBondContact NZ-OE2 2.91Å; C70-E96 WeakPolarHBondContact CB-O 3.38Å; L93-E96 PolarHBondContact O-N 2.68Å; A94-E96 PolarHBondContact O-N 3.07Å
97G97.6Very high98.5Very high52 Ų5228 Ų2854%0.53615%0.151SC..THydrogen-bonded Turntrans89.213.7176.400000114.9A94 K95A94-G97 WeakPolarHBondContact O-CA 3.18Å; A94-G97 PolarHBondContact O-N 3.41Å; K95-G97 VanDerWaalsContact C-N 3.26Å
98L98.7Very high98.4Very high2 Ų233.4 Ų33.41%0.0118%0.176CC..  trans-83.9140.4176.6-63179.6000111.4L69 G73 A76 L93 I100 A152L69-L98 HydrophobicContact CB-CD1 4.22Å; G73-L98 VanDerWaalsContact O-CD2 3.23Å; G73-L98 WeakPolarHBondContact O-CD2 3.37Å; A76-L98 HydrophobicContact CB-CB 4.47Å; A76-L98 HydrophobicContact CB-CD1 3.97Å; L93-L98 HydrophobicContact CB-CD1 4.4Å; L93-L98 HydrophobicContact CD2-CD1 4Å; L93-L98 PolarHBondContact O-N 2.83Å; L98-I100 HydrophobicContact CB-CD1 4.24Å; L98-I100 WeakPolarHBondContact O-CD1 3.21Å; L98-A152 HydrophobicContact CD1-CB 3.86Å; L98-A152 HydrophobicContact CD2-CB 3.74Å; L98-A152 HydrophobicContact CG-CB 4.5Å
99N98.9Very high98.4Very high23 Ų2336.1 Ų36.112%0.12319%0.188CC..EExtended strand (participates in β ladder)trans-69.1147.7163.4-60.6-46000109.5E74 W75 A76 Q124E74-N99 PolarHBondContact O-N 2.88Å; W75-N99 CarbonylContact C-O 3.48Å; W75-N99 VanDerWaalsContact CA-O 3.28Å; W75-N99 WeakPolarHBondContact CA-O 2.97Å; W75-N99 HydrophobicContact CD2-CB 3.41Å; W75-N99 VanDerWaalsContact CD2-CB 3.41Å; W75-N99 HydrophobicContact CE3-CB 3.45Å; W75-N99 VanDerWaalsContact CE3-CB 3.45Å; W75-N99 HydrophobicContact CG-CB 4.04Å; W75-N99 HydrophobicContact CH2-CB 3.78Å; W75-N99 HydrophobicContact CZ2-CB 3.76Å; W75-N99 HydrophobicContact CZ3-CB 3.64Å; A76-N99 PolarHBondContact N-O 3.18Å; N99-Q124 CarbonylContact C-O 3.55Å; N99-Q124 VanDerWaalsContact CA-O 3.29Å; N99-Q124 WeakPolarHBondContact CA-O 3.4Å; N99-Q124 HydrophobicContact CB-CB 4.15Å; N99-Q124 WeakPolarHBondContact CB-O 3.38Å; N99-Q124 WeakPolarHBondContact OD1-CB 3.39Å; N99-Q124 PolarHBondContact OD1-N 3.37Å
100I98.9Very high98.4Very high0 Ų036.1 Ų36.10%019%0.188CC..EExtended strand (participates in β ladder)trans-120.7123.7-172.4-47.2-61.7000111.3A76 V78 A90 L93 A94 L98 L102 I117 Q124 T125 R126A76-I100 HydrophobicContact CB-CD1 4.01Å; A76-I100 WeakPolarHBondContact O-CA 3.23Å; V78-I100 HydrophobicContact CG2-CG2 4.37Å; A90-I100 HydrophobicContact CB-CG2 3.98Å; L93-I100 HydrophobicContact CB-CD1 3.81Å; A94-I100 HydrophobicContact CB-CD1 4.13Å; A94-I100 HydrophobicContact CB-CG1 3.88Å; L98-I100 HydrophobicContact CB-CD1 4.24Å; L98-I100 WeakPolarHBondContact O-CD1 3.21Å; I100-L102 HydrophobicContact CB-CD1 4Å; I100-L102 HydrophobicContact CG2-CD1 3.73Å; I100-L102 HydrophobicContact CG2-CG 3.75Å; I100-L102 WeakPolarHBondContact O-CD1 3.06Å; I100-I117 HydrophobicContact CG1-CG2 4.16Å; I100-Q124 PolarHBondContact N-O 3.1Å; I100-T125 HydrophobicContact CB-CG2 4.42Å; I100-T125 CarbonylContact O-C 3.54Å; I100-T125 VanDerWaalsContact O-CA 3.22Å; I100-T125 WeakPolarHBondContact O-CA 3.45Å; I100-R126 PolarHBondContact O-N 3.48Å
101M98.9Very high98.3Very high2 Ų237.8 Ų37.81%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-93.1113.4160177.4175.9-79.600108.9W75 A76 V77 V78 I103 R126 V128 A144 V145 L148W75-M101 HydrophobicContact CE3-CB 4.49Å; A76-M101 PolarHBondContact O-N 3.07Å; V77-M101 WeakPolarHBondContact CA-O 3.47Å; V77-M101 HydrophobicContact CG1-CB 4.42Å; V77-M101 HydrophobicContact CG1-CG 4.32Å; V77-M101 HydrophobicContact CG1-SD 4.22Å; V77-M101 HydrophobicContact CG2-CB 4.2Å; V77-M101 HydrophobicContact CG2-SD 4.34Å; V78-M101 PolarHBondContact N-O 3.37Å; M101-I103 HydrophobicContact CG-CD1 4.36Å; M101-I103 HydrophobicContact CG-CG1 4.08Å; M101-I103 HydrophobicContact SD-CD1 4.24Å; M101-R126 CarbonylContact C-O 3.58Å; M101-R126 WeakPolarHBondContact CA-O 3.39Å; M101-R126 HydrophobicContact CE-CB 4.5Å; M101-V128 HydrophobicContact CE-CG2 4.37Å; M101-V128 HydrophobicContact CG-CG2 4.32Å; M101-V128 HydrophobicContact SD-CG2 4.18Å; M101-A144 HydrophobicContact CE-CB 3.99Å; M101-A144 VanDerWaalsContact CE-O 3.23Å; M101-A144 WeakPolarHBondContact CE-O 3.5Å; M101-V145 HydrophobicContact SD-CG2 3.9Å; M101-L148 HydrophobicContact CB-CD1 4.22Å; M101-L148 HydrophobicContact CE-CD1 3.75Å; M101-L148 HydrophobicContact CE-CD2 3.63Å; M101-L148 HydrophobicContact CE-CG 3.79Å; M101-L148 HydrophobicContact SD-CD1 3.99Å
102L98.9Very high98.3Very high0 Ų041.1 Ų41.10%022%0.217CC..EExtended strand (participates in β ladder)trans-98.2130.9179.2-57.189.3000109.4A81 A90 I100 L110 V113 A114 I117 T125 R126 I127 V128A81-L102 HydrophobicContact CB-CB 3.79Å; A81-L102 HydrophobicContact CB-CD2 4.13Å; A81-L102 HydrophobicContact CB-CG 4.18Å; A90-L102 HydrophobicContact CB-CD2 4.45Å; I100-L102 HydrophobicContact CB-CD1 4Å; I100-L102 HydrophobicContact CG2-CD1 3.73Å; I100-L102 HydrophobicContact CG2-CG 3.75Å; I100-L102 WeakPolarHBondContact O-CD1 3.06Å; L102-L110 HydrophobicContact CB-CD1 3.4Å; L102-L110 HydrophobicContact CB-CG 4.09Å; L102-L110 HydrophobicContact CD2-CD1 4.16Å; L102-L110 HydrophobicContact CG-CD1 4.43Å; L102-V113 HydrophobicContact CD2-CB 4.23Å; L102-V113 HydrophobicContact CD2-CG1 3.57Å; L102-A114 HydrophobicContact CD1-CB 3.94Å; L102-A114 HydrophobicContact CD2-CB 4.43Å; L102-I117 HydrophobicContact CD2-CD1 4.22Å; L102-T125 HydrophobicContact CD1-CG2 4.08Å; L102-R126 PolarHBondContact N-O 3.45Å; L102-I127 CarbonylContact O-C 3.5Å; L102-I127 WeakPolarHBondContact O-CA 3.36Å; L102-V128 PolarHBondContact O-N 2.73Å
103I98.8Very high98.3Very high0 Ų040.8 Ų40.80%022%0.216CC..EExtended strand (participates in β ladder)trans-127.1123.7-179.1-48.4-173.9000109.6V77 V78 T79 G80 A81 M101 V128 A130 F132 I141 M193V77-I103 HydrophobicContact CG1-CD1 3.69Å; V77-I103 HydrophobicContact CG1-CG1 4.32Å; V78-I103 PolarHBondContact O-N 3.39Å; T79-I103 CarbonylContact C-O 3.56Å; T79-I103 HydrophobicContact CG2-CB 4.47Å; G80-I103 PolarHBondContact N-O 3.04Å; A81-I103 PolarHBondContact N-O 2.91Å; M101-I103 HydrophobicContact CG-CD1 4.36Å; M101-I103 HydrophobicContact CG-CG1 4.08Å; M101-I103 HydrophobicContact SD-CD1 4.24Å; I103-V128 WeakPolarHBondContact CA-O 3.14Å; I103-V128 HydrophobicContact CG1-CB 4.13Å; I103-V128 HydrophobicContact CG2-CB 4.29Å; I103-A130 HydrophobicContact CG2-CB 3.56Å; I103-F132 HydrophobicContact CG2-CE2 3.67Å; I103-F132 HydrophobicContact CG2-CZ 3.82Å; I103-I141 HydrophobicContact CD1-CG2 4.23Å; I103-I141 HydrophobicContact CG2-CD1 4.38Å; I103-M193 HydrophobicContact CD1-CE 3.82Å
104S98.3Very high98.3Very high3 Ų341 Ų412%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-164.8171.8170.7640000111.2S82 L110 V128 V129 A130S82-S104 VanDerWaalsContact CB-OG 3.28Å; S82-S104 WeakPolarHBondContact CB-OG 3.29Å; S82-S104 PolarHBondContact OG-OG 3.19Å; S104-L110 VanDerWaalsContact OG-CD1 3.28Å; S104-L110 WeakPolarHBondContact OG-CD1 3.31Å; S104-V128 PolarHBondContact N-O 3.34Å; S104-V129 CarbonylContact O-C 3.14Å; S104-V129 VanDerWaalsContact O-CA 3.26Å; S104-V129 WeakPolarHBondContact O-CA 3.34Å; S104-A130 CarbonylContact C-O 3.53Å; S104-A130 VanDerWaalsContact C-O 3.27Å; S104-A130 PolarHBondContact O-N 3.42Å
105N97.3Very high98.3Very high106 Ų10645.9 Ų45.957%0.56724%0.243SC*.SBendtrans-84.3-17.4178.562.6-22.1000114.7E107 A130 D131N105-E107 PolarHBondContact O-N 3.44Å; N105-A130 PolarHBondContact N-O 2.89Å; N105-D131 HydrophobicContact CB-CB 4.08Å
106D97.1Very high98.3Very high74 Ų7444 Ų4440%0.39623%0.233SC..  trans-91.994.3179.1-174.8-21.9000110.4E108 Q109 L110D106-E108 PolarHBondContact OD1-N 2.99Å; D106-Q109 HydrophobicContact CB-CB 4.29Å; D106-Q109 VanDerWaalsContact CG-CB 3.43Å; D106-Q109 WeakPolarHBondContact OD1-CB 3.49Å; D106-Q109 PolarHBondContact OD1-N 2.82Å; D106-Q109 WeakPolarHBondContact OD2-CB 3.4Å; D106-L110 WeakPolarHBondContact O-CB 3.49Å; D106-L110 PolarHBondContact O-N 2.81Å
107E97.9Very high98.4Very high117 Ų11743 Ų4355%0.54723%0.228SC..Hα-helixtrans-63.5-41.9-175.1-179.1170.4-167.500113.5N105 L110 S111 V129N105-E107 PolarHBondContact O-N 3.44Å; E107-L110 PolarHBondContact O-N 2.93Å; E107-S111 WeakPolarHBondContact O-CB 3.42Å; E107-S111 PolarHBondContact O-N 2.93Å; E107-S111 PolarHBondContact O-OG 2.91Å; E107-V129 HydrophobicContact CB-CG1 4.15Å; E107-V129 HydrophobicContact CB-CG2 3.61Å; E107-V129 HydrophobicContact CG-CG2 3.57Å
108E98.2Very high98.5Very high152 Ų15241.8 Ų41.871%0.7121%0.213SC*.Hα-helixtrans-63.9-53.6-177.6-177.9-179.117500109.9D106 L110 S111 I112D106-E108 PolarHBondContact OD1-N 2.99Å; E108-L110 VanDerWaalsContact C-N 3.31Å; E108-L110 PolarHBondContact O-N 2.86Å; E108-S111 WeakPolarHBondContact O-CB 3.36Å; E108-S111 PolarHBondContact O-N 2.79Å; E108-I112 HydrophobicContact CG-CD1 4.28Å; E108-I112 WeakPolarHBondContact O-CG1 3.42Å; E108-I112 PolarHBondContact O-N 3.05Å
109Q98Very high98.4Very high63 Ų6347.4 Ų47.429%0.29425%0.248SC..Hα-helixtrans-65-37.7179.8-177.762.211.600111.4S82 D106 S111 I112 V113S82-Q109 WeakPolarHBondContact O-CG 3.41Å; S82-Q109 PolarHBondContact O-NE2 2.82Å; D106-Q109 HydrophobicContact CB-CB 4.29Å; D106-Q109 VanDerWaalsContact CG-CB 3.43Å; D106-Q109 WeakPolarHBondContact OD1-CB 3.49Å; D106-Q109 PolarHBondContact OD1-N 2.82Å; D106-Q109 WeakPolarHBondContact OD2-CB 3.4Å; Q109-S111 VanDerWaalsContact C-N 3.32Å; Q109-S111 PolarHBondContact O-N 2.88Å; Q109-I112 PolarHBondContact O-N 3.04Å; Q109-V113 WeakPolarHBondContact O-CG2 3.37Å; Q109-V113 PolarHBondContact O-N 3.42Å
110L97.7Very high98.4Very high0 Ų050.4 Ų50.40%027%0.267CS..Hα-helixtrans-62-40.5176.9-16562.2000111.8A81 L102 S104 D106 E107 E108 V113 A114 I127A81-L110 HydrophobicContact CB-CD1 4.18Å; L102-L110 HydrophobicContact CB-CD1 3.4Å; L102-L110 HydrophobicContact CB-CG 4.09Å; L102-L110 HydrophobicContact CD2-CD1 4.16Å; L102-L110 HydrophobicContact CG-CD1 4.43Å; S104-L110 VanDerWaalsContact OG-CD1 3.28Å; S104-L110 WeakPolarHBondContact OG-CD1 3.31Å; D106-L110 WeakPolarHBondContact O-CB 3.49Å; D106-L110 PolarHBondContact O-N 2.81Å; E107-L110 PolarHBondContact O-N 2.93Å; E108-L110 VanDerWaalsContact C-N 3.31Å; E108-L110 PolarHBondContact O-N 2.86Å; L110-V113 PolarHBondContact O-N 2.81Å; L110-A114 VanDerWaalsContact O-CB 3.28Å; L110-A114 WeakPolarHBondContact O-CB 3.18Å; L110-A114 PolarHBondContact O-N 3.06Å; L110-I127 HydrophobicContact CD2-CB 3.8Å; L110-I127 HydrophobicContact CD2-CG2 4.23Å; L110-I127 HydrophobicContact CG-CB 4.04Å; L110-I127 HydrophobicContact CG-CG2 3.88Å
111S98.6Very high98.4Very high36 Ų3653.2 Ų53.225%0.25228%0.278SS..Hα-helixtrans-65.9-42.5176.7-61.30000111.9E107 E108 Q109 A114 N115 I127E107-S111 WeakPolarHBondContact O-CB 3.42Å; E107-S111 PolarHBondContact O-N 2.93Å; E107-S111 PolarHBondContact O-OG 2.91Å; E108-S111 WeakPolarHBondContact O-CB 3.36Å; E108-S111 PolarHBondContact O-N 2.79Å; Q109-S111 VanDerWaalsContact C-N 3.32Å; Q109-S111 PolarHBondContact O-N 2.88Å; S111-A114 PolarHBondContact O-N 3.36Å; S111-N115 WeakPolarHBondContact O-CB 3.38Å; S111-N115 VanDerWaalsContact O-CG 3.28Å; S111-N115 PolarHBondContact O-N 3.26Å; S111-N115 PolarHBondContact O-ND2 3.29Å; S111-I127 WeakPolarHBondContact OG-CD1 3.27Å
112I98.7Very high98.4Very high85 Ų8560.4 Ų60.444%0.43632%0.316SS..Hα-helixtrans-59.2-48.7174.8-68.3167.5000110.5E108 Q109 R116E108-I112 HydrophobicContact CG-CD1 4.28Å; E108-I112 WeakPolarHBondContact O-CG1 3.42Å; E108-I112 PolarHBondContact O-N 3.05Å; Q109-I112 PolarHBondContact O-N 3.04Å; I112-R116 VanDerWaalsContact O-CB 3.29Å; I112-R116 WeakPolarHBondContact O-CB 3.23Å; I112-R116 PolarHBondContact O-N 3.04Å
113V98.7Very high98.4Very high0 Ų061.2 Ų61.20%032%0.321CS..Hα-helixtrans-64.1-45.5179.8173.80000111.1E87 L102 Q109 L110 R116 I117E87-V113 HydrophobicContact CG-CG1 3.86Å; E87-V113 HydrophobicContact CG-CG2 4.03Å; L102-V113 HydrophobicContact CD2-CB 4.23Å; L102-V113 HydrophobicContact CD2-CG1 3.57Å; Q109-V113 WeakPolarHBondContact O-CG2 3.37Å; Q109-V113 PolarHBondContact O-N 3.42Å; L110-V113 PolarHBondContact O-N 2.81Å; V113-R116 PolarHBondContact O-N 3.4Å; V113-I117 HydrophobicContact CG1-CD1 3.75Å; V113-I117 HydrophobicContact CG1-CG1 4.38Å; V113-I117 WeakPolarHBondContact O-CB 3.35Å; V113-I117 WeakPolarHBondContact O-CG1 3.42Å; V113-I117 PolarHBondContact O-N 3.36Å
114A98.8Very high98.3Very high3 Ų366.7 Ų66.73%0.02535%0.347CS..Hα-helixtrans-58.9-51.417900000111.6L102 L110 S111 R116 I117 A118 T125 I127L102-A114 HydrophobicContact CD1-CB 3.94Å; L102-A114 HydrophobicContact CD2-CB 4.43Å; L110-A114 VanDerWaalsContact O-CB 3.28Å; L110-A114 WeakPolarHBondContact O-CB 3.18Å; L110-A114 PolarHBondContact O-N 3.06Å; S111-A114 PolarHBondContact O-N 3.36Å; A114-R116 VanDerWaalsContact C-N 3.32Å; A114-R116 PolarHBondContact O-N 2.67Å; A114-I117 PolarHBondContact O-N 3.02Å; A114-A118 WeakPolarHBondContact O-CB 3.39Å; A114-A118 PolarHBondContact O-N 3.37Å; A114-T125 HydrophobicContact CB-CG2 4.49Å; A114-T125 WeakPolarHBondContact O-CG2 3.16Å; A114-T125 PolarHBondContact O-OG1 2.9Å; A114-I127 HydrophobicContact CB-CG2 3.54Å
115N98.8Very high98.4Very high106 Ų10668.2 Ų68.257%0.56736%0.356SS*.Hα-helixtrans-60.1-42.1179-73-25000112.1S111 T119S111-N115 WeakPolarHBondContact O-CB 3.38Å; S111-N115 VanDerWaalsContact O-CG 3.28Å; S111-N115 PolarHBondContact O-N 3.26Å; S111-N115 PolarHBondContact O-ND2 3.29Å; N115-T119 WeakPolarHBondContact O-CB 3.41Å; N115-T119 PolarHBondContact O-N 3.01Å; N115-T119 PolarHBondContact O-OG1 3.2Å
116R98.7Very high98.4Very high80 Ų8067.2 Ų67.230%0.30235%0.345SS..Hα-helixtrans-63.5-43.7177.1-174.9175.459.873.3-2.2111.8E87 E91 I112 V113 A114 T120E87-R116 IonicContact OE1-CZ 3.36Å; E87-R116 IonicContact OE1-NH2 2.68Å; E87-R116 PolarHBondContact OE1-NH2 3.37Å; E91-R116 VanDerWaalsContact CD-NH1 3.27Å; E91-R116 IonicContact OE1-CZ 3.07Å; E91-R116 IonicContact OE1-NH1 3.75Å; E91-R116 PolarHBondContact OE1-NH1 2.9Å; E91-R116 IonicContact OE1-NH2 2.68Å; E91-R116 PolarHBondContact OE1-NH2 3.47Å; E91-R116 IonicContact OE2-NH1 2.69Å; I112-R116 VanDerWaalsContact O-CB 3.29Å; I112-R116 WeakPolarHBondContact O-CB 3.23Å; I112-R116 PolarHBondContact O-N 3.04Å; V113-R116 PolarHBondContact O-N 3.4Å; A114-R116 VanDerWaalsContact C-N 3.32Å; A114-R116 PolarHBondContact O-N 2.67Å; R116-T120 WeakPolarHBondContact O-CB 3.33Å; R116-T120 PolarHBondContact O-N 3.42Å; R116-T120 PolarHBondContact O-OG1 3.4Å
117I98.8Very high98.5Very high0 Ų066.7 Ų66.70%034%0.341CS..Hα-helixtrans-64.7-49177.7-75.7175.7000111A90 E91 A94 I100 L102 V113 A114 T119 T120 Y121 V123 T125A90-I117 HydrophobicContact CB-CD1 3.7Å; E91-I117 HydrophobicContact CG-CD1 4.09Å; E91-I117 HydrophobicContact CG-CG1 3.99Å; A94-I117 HydrophobicContact CB-CG2 3.52Å; I100-I117 HydrophobicContact CG1-CG2 4.16Å; L102-I117 HydrophobicContact CD2-CD1 4.22Å; V113-I117 HydrophobicContact CG1-CD1 3.75Å; V113-I117 HydrophobicContact CG1-CG1 4.38Å; V113-I117 WeakPolarHBondContact O-CB 3.35Å; V113-I117 WeakPolarHBondContact O-CG1 3.42Å; V113-I117 PolarHBondContact O-N 3.36Å; A114-I117 PolarHBondContact O-N 3.02Å; I117-T119 VanDerWaalsContact C-N 3.31Å; I117-T119 PolarHBondContact O-N 2.57Å; I117-T120 PolarHBondContact O-N 3.03Å; I117-Y121 HydrophobicContact CG2-CD2 4.21Å; I117-Y121 WeakPolarHBondContact O-CD2 3.42Å; I117-Y121 PolarHBondContact O-N 3.38Å; I117-V123 HydrophobicContact CG2-CG2 4Å; I117-T125 HydrophobicContact CB-CG2 4.18Å; I117-T125 HydrophobicContact CG2-CG2 3.8Å
118A98.8Very high98.5Very high26 Ų2661.8 Ų61.822%0.21532%0.319CS..Hα-helixtrans-56.7-47.3179.500000111.3A114 N122 V123 T125A114-A118 WeakPolarHBondContact O-CB 3.39Å; A114-A118 PolarHBondContact O-N 3.37Å; A118-N122 VanDerWaalsContact O-CA 3.24Å; A118-N122 WeakPolarHBondContact O-CA 3.43Å; A118-N122 PolarHBondContact O-N 3.4Å; A118-V123 WeakPolarHBondContact CA-O 3.35Å; A118-V123 WeakPolarHBondContact CB-O 3.43Å; A118-V123 PolarHBondContact O-N 3.31Å; A118-T125 HydrophobicContact CB-CG2 3.97Å
119T98.4Very high98.6Very high120 Ų12057 Ų5774%0.73630%0.3SS*.Hα-helixtrans-68.1-44.3-179.8-52.60000112.3N115 I117N115-T119 WeakPolarHBondContact O-CB 3.41Å; N115-T119 PolarHBondContact O-N 3.01Å; N115-T119 PolarHBondContact O-OG1 3.2Å; I117-T119 VanDerWaalsContact C-N 3.31Å; I117-T119 PolarHBondContact O-N 2.57Å
120T98.7Very high98.6Very high86 Ų8654.2 Ų54.253%0.52829%0.288SS..Hα-helixtrans-71-37.2-173.7-57.10000112.5R116 I117R116-T120 WeakPolarHBondContact O-CB 3.33Å; R116-T120 PolarHBondContact O-N 3.42Å; R116-T120 PolarHBondContact O-OG1 3.4Å; I117-T120 PolarHBondContact O-N 3.03Å
121Y98.4Very high98.6Very high58 Ų5856.8 Ų56.823%0.22730%0.301CS..Hα-helixtrans-112.2-1.9-171.2-58.1-68.5000113.7E91 A94 K95 I117 V123E91-Y121 HydrophobicContact CB-CE2 4.24Å; E91-Y121 HydrophobicContact CG-CE2 4.29Å; A94-Y121 HydrophobicContact CB-CD2 3.66Å; A94-Y121 HydrophobicContact CB-CE2 4.34Å; A94-Y121 HydrophobicContact CB-CG 4.01Å; K95-Y121 HydrophobicContact CB-CD1 4.12Å; K95-Y121 HydrophobicContact CB-CE1 3.83Å; K95-Y121 HydrophobicContact CG-CE1 4.18Å; I117-Y121 HydrophobicContact CG2-CD2 4.21Å; I117-Y121 WeakPolarHBondContact O-CD2 3.42Å; I117-Y121 PolarHBondContact O-N 3.38Å; Y121-V123 VanDerWaalsContact C-N 3.35Å; Y121-V123 PolarHBondContact O-N 2.87Å
122N98.2Very high98.6Very high153 Ų15355.2 Ų55.282%0.81829%0.29SS*.THydrogen-bonded Turntrans53.949.4-177.8-169.144.2000112.4A118A118-N122 VanDerWaalsContact O-CA 3.24Å; A118-N122 WeakPolarHBondContact O-CA 3.43Å; A118-N122 PolarHBondContact O-N 3.4Å
123V98.6Very high98.5Very high18 Ų1852.1 Ų52.111%0.10928%0.275CS..  trans-122.7161.1177.2-60.80000110A94 I117 A118 Y121A94-V123 HydrophobicContact CB-CG2 3.91Å; I117-V123 HydrophobicContact CG2-CG2 4Å; A118-V123 WeakPolarHBondContact CA-O 3.35Å; A118-V123 WeakPolarHBondContact CB-O 3.43Å; A118-V123 PolarHBondContact O-N 3.31Å; Y121-V123 VanDerWaalsContact C-N 3.35Å; Y121-V123 PolarHBondContact O-N 2.87Å
124Q98.7Very high98.5Very high115 Ų11557 Ų5754%0.53730%0.297SS..  trans-77.6144.4172.2-57.9-179.725.700110.5W75 N99 I100W75-Q124 HydrophobicContact CH2-CB 3.72Å; W75-Q124 HydrophobicContact CZ2-CB 4.15Å; N99-Q124 CarbonylContact C-O 3.55Å; N99-Q124 VanDerWaalsContact CA-O 3.29Å; N99-Q124 WeakPolarHBondContact CA-O 3.4Å; N99-Q124 HydrophobicContact CB-CB 4.15Å; N99-Q124 WeakPolarHBondContact CB-O 3.38Å; N99-Q124 WeakPolarHBondContact OD1-CB 3.39Å; N99-Q124 PolarHBondContact OD1-N 3.37Å; I100-Q124 PolarHBondContact N-O 3.1Å
125T98.8Very high98.2Very high35 Ų3563.8 Ų63.822%0.21533%0.327CS..EExtended strand (participates in β ladder)trans-125.6143.2170.456.30000111I100 L102 A114 I117 A118I100-T125 HydrophobicContact CB-CG2 4.42Å; I100-T125 CarbonylContact O-C 3.54Å; I100-T125 VanDerWaalsContact O-CA 3.22Å; I100-T125 WeakPolarHBondContact O-CA 3.45Å; L102-T125 HydrophobicContact CD1-CG2 4.08Å; A114-T125 HydrophobicContact CB-CG2 4.49Å; A114-T125 WeakPolarHBondContact O-CG2 3.16Å; A114-T125 PolarHBondContact O-OG1 2.9Å; I117-T125 HydrophobicContact CB-CG2 4.18Å; I117-T125 HydrophobicContact CG2-CG2 3.8Å; A118-T125 HydrophobicContact CB-CG2 3.97Å
126R98.6Very high98Very high85 Ų8562.5 Ų62.532%0.32132%0.321SS..EExtended strand (participates in β ladder)trans-127.1145.6168-67.5-176.7-174.2-164.85.3108.7W75 I100 M101 L102W75-R126 HydrophobicContact CH2-CG 3.74Å; W75-R126 HydrophobicContact CZ3-CB 4.23Å; W75-R126 HydrophobicContact CZ3-CG 3.87Å; I100-R126 PolarHBondContact O-N 3.48Å; M101-R126 CarbonylContact C-O 3.58Å; M101-R126 WeakPolarHBondContact CA-O 3.39Å; M101-R126 HydrophobicContact CE-CB 4.5Å; L102-R126 PolarHBondContact N-O 3.45Å
127I98.7Very high97.9Very high62 Ų6259.2 Ų59.232%0.31831%0.309SS..EExtended strand (participates in β ladder)trans-114.1145.817667.2173000110L102 L110 S111 A114L102-I127 CarbonylContact O-C 3.5Å; L102-I127 WeakPolarHBondContact O-CA 3.36Å; L110-I127 HydrophobicContact CD2-CB 3.8Å; L110-I127 HydrophobicContact CD2-CG2 4.23Å; L110-I127 HydrophobicContact CG-CB 4.04Å; L110-I127 HydrophobicContact CG-CG2 3.88Å; S111-I127 WeakPolarHBondContact OG-CD1 3.27Å; A114-I127 HydrophobicContact CB-CG2 3.54Å
128V98.7Very high97.9Very high14 Ų1459.9 Ų59.99%0.08531%0.312CS..EExtended strand (participates in β ladder)trans-130.7115.9167.4-1770000107.5M101 L102 I103 S104 A130 I140 I141 A144M101-V128 HydrophobicContact CE-CG2 4.37Å; M101-V128 HydrophobicContact CG-CG2 4.32Å; M101-V128 HydrophobicContact SD-CG2 4.18Å; L102-V128 PolarHBondContact O-N 2.73Å; I103-V128 WeakPolarHBondContact CA-O 3.14Å; I103-V128 HydrophobicContact CG1-CB 4.13Å; I103-V128 HydrophobicContact CG2-CB 4.29Å; S104-V128 PolarHBondContact N-O 3.34Å; V128-A130 HydrophobicContact CG1-CB 4.42Å; V128-A130 PolarHBondContact O-N 3.48Å; V128-I140 HydrophobicContact CG1-CD1 4.22Å; V128-I140 HydrophobicContact CG1-CG1 4.45Å; V128-I141 HydrophobicContact CG1-CG1 4.01Å; V128-A144 HydrophobicContact CG2-CB 3.65Å
129V98.4Very high97.8Very high53 Ų5365.8 Ų65.832%0.32134%0.335SS..EExtended strand (participates in β ladder)trans-79.7114.4177.2-174.70000108.5S104 E107 I140S104-V129 CarbonylContact O-C 3.14Å; S104-V129 VanDerWaalsContact O-CA 3.26Å; S104-V129 WeakPolarHBondContact O-CA 3.34Å; E107-V129 HydrophobicContact CB-CG1 4.15Å; E107-V129 HydrophobicContact CB-CG2 3.61Å; E107-V129 HydrophobicContact CG-CG2 3.57Å; V129-I140 WeakPolarHBondContact O-CD1 3.34Å
130A98.2Very high97.8Very high4 Ų464.5 Ų64.53%0.03332%0.322CS..  trans-149.9119.6-168.400000112I103 S104 N105 V128 F132 V137 I141I103-A130 HydrophobicContact CG2-CB 3.56Å; S104-A130 CarbonylContact C-O 3.53Å; S104-A130 VanDerWaalsContact C-O 3.27Å; S104-A130 PolarHBondContact O-N 3.42Å; N105-A130 PolarHBondContact N-O 2.89Å; V128-A130 HydrophobicContact CG1-CB 4.42Å; V128-A130 PolarHBondContact O-N 3.48Å; A130-F132 HydrophobicContact CB-CE2 4.39Å; A130-V137 HydrophobicContact CB-CG2 3.28Å; A130-I141 HydrophobicContact CB-CD1 4.06Å; A130-I141 HydrophobicContact CB-CG1 4.33Å
131D98.3Very high97.8Very high53 Ų5360.4 Ų60.428%0.28330%0.297SS..  trans-92.3105.3169.9-179.40.7000110.7N105 T133 K134N105-D131 HydrophobicContact CB-CB 4.08Å; D131-T133 PolarHBondContact O-N 3.32Å; D131-T133 VanDerWaalsContact O-N 3.14Å; D131-T133 WeakPolarHBondContact OD1-CB 3.38Å; D131-T133 WeakPolarHBondContact OD1-CG2 3.42Å; D131-T133 PolarHBondContact OD1-N 3.45Å; D131-T133 PolarHBondContact OD1-OG1 2.95Å; D131-T133 PolarHBondContact OD2-OG1 3.42Å; D131-K134 HydrophobicContact CB-CG 4Å; D131-K134 WeakPolarHBondContact O-CB 3.28Å; D131-K134 PolarHBondContact O-N 2.97Å; D131-K134 WeakPolarHBondContact OD2-CE 3.34Å
132F98.4Very high97.8Very high4 Ų462.7 Ų62.72%0.01831%0.306CS..THydrogen-bonded Turntrans-71.91.5179.9-73.6-81.5000114.7T79 I103 A130 K134 V137 Y138 I141 V158 H184 C185 S189 M193T79-F132 HydrophobicContact CG2-CE2 4.17Å; T79-F132 HydrophobicContact CG2-CZ 3.77Å; I103-F132 HydrophobicContact CG2-CE2 3.67Å; I103-F132 HydrophobicContact CG2-CZ 3.82Å; A130-F132 HydrophobicContact CB-CE2 4.39Å; F132-K134 VanDerWaalsContact C-N 3.3Å; F132-V137 HydrophobicContact CD1-CG1 4.33Å; F132-Y138 HydrophobicContact CD1-CE1 4.15Å; F132-Y138 AromaticContact CE1-CE1 3.96Å; F132-Y138 HydrophobicContact CE1-CE1 3.96Å; F132-I141 HydrophobicContact CE1-CD1 3.75Å; F132-I141 HydrophobicContact CZ-CD1 3.73Å; F132-V158 HydrophobicContact CB-CG1 4.43Å; F132-V158 HydrophobicContact CB-CG2 4.36Å; F132-V158 HydrophobicContact CD1-CG1 4.47Å; F132-V158 HydrophobicContact CD2-CB 4.12Å; F132-V158 HydrophobicContact CD2-CG1 3.83Å; F132-V158 HydrophobicContact CD2-CG2 3.73Å; F132-V158 HydrophobicContact CE2-CB 4.37Å; F132-V158 HydrophobicContact CE2-CG1 4.09Å; F132-V158 HydrophobicContact CE2-CG2 4.38Å; F132-V158 HydrophobicContact CG-CG1 4Å; F132-V158 HydrophobicContact CG-CG2 4.32Å; F132-H184 CarbonylContact O-C 3.57Å; F132-H184 VanDerWaalsContact O-C 3.32Å; F132-H184 WeakPolarHBondContact O-CB 3.38Å; F132-C185 WeakPolarHBondContact O-CA 3.17Å; F132-C185 PolarHBondContact O-N 2.89Å; F132-S189 VanDerWaalsContact CD1-CB 3.41Å; F132-M193 HydrophobicContact CE1-CG 3.94Å; F132-M193 HydrophobicContact CE1-SD 4.02Å; F132-M193 HydrophobicContact CZ-CG 4.28Å; F132-M193 HydrophobicContact CZ-SD 4.17Å
133T98.1Very high97.8Very high20 Ų2058.6 Ų58.612%0.12329%0.288CS..THydrogen-bonded Turntrans-78.3-18.7164.7710000112D131 M160 N181 H184 C185D131-T133 PolarHBondContact O-N 3.32Å; D131-T133 VanDerWaalsContact O-N 3.14Å; D131-T133 WeakPolarHBondContact OD1-CB 3.38Å; D131-T133 WeakPolarHBondContact OD1-CG2 3.42Å; D131-T133 PolarHBondContact OD1-N 3.45Å; D131-T133 PolarHBondContact OD1-OG1 2.95Å; D131-T133 PolarHBondContact OD2-OG1 3.42Å; T133-M160 HydrophobicContact CG2-SD 3.96Å; T133-N181 HydrophobicContact CG2-CB 3.89Å; T133-H184 PolarHBondContact O-ND1 3.39Å; T133-H184 VanDerWaalsContact O-ND1 3.11Å; T133-C185 HydrophobicContact CG2-CB 4.25Å
134K97.2Very high97.7Very high103 Ų10358.6 Ų58.645%0.44829%0.289SS..SBendtrans-91.2155.1179.4-47.7-60179.2-178.50111.5D131 F132 D136 V137D131-K134 HydrophobicContact CB-CG 4Å; D131-K134 WeakPolarHBondContact O-CB 3.28Å; D131-K134 PolarHBondContact O-N 2.97Å; D131-K134 WeakPolarHBondContact OD2-CE 3.34Å; F132-K134 VanDerWaalsContact C-N 3.3Å; K134-D136 VanDerWaalsContact CB-OD1 3.26Å; K134-D136 WeakPolarHBondContact CB-OD1 3.49Å; K134-V137 WeakPolarHBondContact O-CG1 3.18Å
135H92.1Very high97.7Very high144 Ų14453.1 Ų53.167%0.66726%0.263SS*.SBendtrans-94.2-31.5-17364.4-81.1000112.9V137 Y138H135-V137 VanDerWaalsContact C-N 3.32Å; H135-Y138 WeakPolarHBondContact O-CD2 3.48Å
136D95.1Very high97.7Very high80 Ų8056.6 Ų56.643%0.42828%0.281SS..THydrogen-bonded Turntrans-77-13.9178.756.7-20.5000113.2K134 Y138 E139K134-D136 VanDerWaalsContact CB-OD1 3.26Å; K134-D136 WeakPolarHBondContact CB-OD1 3.49Å; D136-Y138 PolarHBondContact O-N 3.15Å; D136-E139 VanDerWaalsContact O-CB 3.29Å; D136-E139 WeakPolarHBondContact O-CB 3.45Å; D136-E139 WeakPolarHBondContact O-CG 3.43Å; D136-E139 PolarHBondContact O-N 3.03Å
137V97.4Very high97.6Very high10 Ų1058.7 Ų58.76%0.06129%0.294CS..Hα-helixtrans-53.1-25.5-178.874.50000114.4A130 F132 K134 H135 E139 I140 I141A130-V137 HydrophobicContact CB-CG2 3.28Å; F132-V137 HydrophobicContact CD1-CG1 4.33Å; K134-V137 WeakPolarHBondContact O-CG1 3.18Å; H135-V137 VanDerWaalsContact C-N 3.32Å; V137-E139 VanDerWaalsContact C-N 3.3Å; V137-E139 PolarHBondContact O-N 3.09Å; V137-I140 WeakPolarHBondContact O-CG1 3.36Å; V137-I141 HydrophobicContact CG2-CD1 4.1Å; V137-I141 WeakPolarHBondContact O-CG1 3.26Å; V137-I141 PolarHBondContact O-N 3.3Å
138Y98.2Very high97.6Very high15 Ų1555.8 Ų55.86%0.05928%0.28CS..Hα-helixtrans-75.8-17.4179.3-52.8-72.6000113.6F132 H135 D136 I140 I141 R142 L188 S189 T192 I196F132-Y138 HydrophobicContact CD1-CE1 4.15Å; F132-Y138 AromaticContact CE1-CE1 3.96Å; F132-Y138 HydrophobicContact CE1-CE1 3.96Å; H135-Y138 WeakPolarHBondContact O-CD2 3.48Å; D136-Y138 PolarHBondContact O-N 3.15Å; Y138-I140 VanDerWaalsContact C-N 3.28Å; Y138-I140 PolarHBondContact O-N 2.85Å; Y138-I141 HydrophobicContact CD1-CD1 4.24Å; Y138-I141 PolarHBondContact O-N 3.24Å; Y138-R142 WeakPolarHBondContact O-CG 3.2Å; Y138-R142 PolarHBondContact O-N 3.37Å; Y138-L188 HydrophobicContact CE2-CD2 4.39Å; Y138-L188 HydrophobicContact CE2-CG 4.43Å; Y138-L188 PolarHBondContact OH-O 3.46Å; Y138-S189 VanDerWaalsContact OH-CA 3.23Å; Y138-S189 WeakPolarHBondContact OH-CA 3.42Å; Y138-S189 PolarHBondContact OH-N 3.11Å; Y138-T192 HydrophobicContact CD1-CG2 3.36Å; Y138-T192 HydrophobicContact CD2-CG2 3.87Å; Y138-T192 HydrophobicContact CE1-CG2 3.48Å; Y138-T192 VanDerWaalsContact CE1-CG2 3.48Å; Y138-T192 HydrophobicContact CE2-CG2 3.99Å; Y138-T192 HydrophobicContact CG-CG2 3.57Å; Y138-I196 HydrophobicContact CD1-CD1 3.96Å
139E97.3Very high97.6Very high149 Ų14957.8 Ų57.870%0.69629%0.294SS*.Hα-helixtrans-65.9-32.7176.2-62.7-175.4159.300111.6D136 V137 P143D136-E139 VanDerWaalsContact O-CB 3.29Å; D136-E139 WeakPolarHBondContact O-CB 3.45Å; D136-E139 WeakPolarHBondContact O-CG 3.43Å; D136-E139 PolarHBondContact O-N 3.03Å; V137-E139 VanDerWaalsContact C-N 3.3Å; V137-E139 PolarHBondContact O-N 3.09Å; E139-P143 WeakPolarHBondContact O-CD 3.5Å; E139-P143 WeakPolarHBondContact O-CG 3.42Å
140I97.5Very high97.6Very high93 Ų9356 Ų5648%0.47728%0.283SS..Hα-helixtrans-86.8-30.3174.160.7166.7000112.7V128 V129 V137 Y138V128-I140 HydrophobicContact CG1-CD1 4.22Å; V128-I140 HydrophobicContact CG1-CG1 4.45Å; V129-I140 WeakPolarHBondContact O-CD1 3.34Å; V137-I140 WeakPolarHBondContact O-CG1 3.36Å; Y138-I140 VanDerWaalsContact C-N 3.28Å; Y138-I140 PolarHBondContact O-N 2.85Å
141I98.4Very high97.6Very high0 Ų055.9 Ų55.90%028%0.282CS..Hα-helixtrans-72.6-43.6-178.2-67.6167.4000111.4I103 V128 A130 F132 V137 Y138 A144 V145 M193 I196I103-I141 HydrophobicContact CD1-CG2 4.23Å; I103-I141 HydrophobicContact CG2-CD1 4.38Å; V128-I141 HydrophobicContact CG1-CG1 4.01Å; A130-I141 HydrophobicContact CB-CD1 4.06Å; A130-I141 HydrophobicContact CB-CG1 4.33Å; F132-I141 HydrophobicContact CE1-CD1 3.75Å; F132-I141 HydrophobicContact CZ-CD1 3.73Å; V137-I141 HydrophobicContact CG2-CD1 4.1Å; V137-I141 WeakPolarHBondContact O-CG1 3.26Å; V137-I141 PolarHBondContact O-N 3.3Å; Y138-I141 HydrophobicContact CD1-CD1 4.24Å; Y138-I141 PolarHBondContact O-N 3.24Å; I141-A144 PolarHBondContact O-N 3.41Å; I141-V145 HydrophobicContact CG2-CG2 3.86Å; I141-V145 WeakPolarHBondContact O-CG2 3.01Å; I141-V145 PolarHBondContact O-N 3.09Å; I141-M193 HydrophobicContact CD1-SD 4.01Å; I141-M193 HydrophobicContact CG2-CE 3.84Å; I141-M193 HydrophobicContact CG2-SD 3.7Å; I141-I196 HydrophobicContact CG2-CD1 4.41Å
142R98.3Very high97.6Very high106 Ų10653.3 Ų53.340%0.427%0.268SS..Hα-helixtrans-56.5-53.8-176.1-73.7171.3-164.8-81.8-3112.2Y138 A144 V145 D146 I196Y138-R142 WeakPolarHBondContact O-CG 3.2Å; Y138-R142 PolarHBondContact O-N 3.37Å; R142-A144 VanDerWaalsContact C-N 3.28Å; R142-A144 PolarHBondContact O-N 2.86Å; R142-V145 PolarHBondContact O-N 2.92Å; R142-D146 PolarHBondContact O-N 3.21Å; R142-I196 HydrophobicContact CG-CD1 3.74Å; R142-I196 HydrophobicContact CG-CG1 3.83Å; R142-I196 HydrophobicContact CG-CG2 4.18Å
143P98Very high97.7Very high68 Ų6853.1 Ų53.144%0.44227%0.268SS..Hα-helixtrans-61.7-36.3179-21.734.2000112.6E139 D146 Q147E139-P143 WeakPolarHBondContact O-CD 3.5Å; E139-P143 WeakPolarHBondContact O-CG 3.42Å; P143-D146 PolarHBondContact O-N 3.46Å; P143-Q147 WeakPolarHBondContact O-CG 3.34Å; P143-Q147 PolarHBondContact O-N 3.01Å
144A98.4Very high97.7Very high17 Ų1752.2 Ų52.214%0.1426%0.262CS..Hα-helixtrans-64.4-44.2177.700000111.7M101 V128 I141 R142 Q147M101-A144 HydrophobicContact CE-CB 3.99Å; M101-A144 VanDerWaalsContact CE-O 3.23Å; M101-A144 WeakPolarHBondContact CE-O 3.5Å; V128-A144 HydrophobicContact CG2-CB 3.65Å; I141-A144 PolarHBondContact O-N 3.41Å; R142-A144 VanDerWaalsContact C-N 3.28Å; R142-A144 PolarHBondContact O-N 2.86Å; A144-Q147 PolarHBondContact O-N 2.87Å
145V98.5Very high97.8Very high0 Ų047.3 Ų47.30%024%0.24CC..Hα-helixtrans-65.7-38.3176171.10000111.7M101 I141 R142 Q147 L148 I151 I196 I197M101-V145 HydrophobicContact SD-CG2 3.9Å; I141-V145 HydrophobicContact CG2-CG2 3.86Å; I141-V145 WeakPolarHBondContact O-CG2 3.01Å; I141-V145 PolarHBondContact O-N 3.09Å; R142-V145 PolarHBondContact O-N 2.92Å; V145-Q147 PolarHBondContact O-N 3.13Å; V145-L148 VanDerWaalsContact O-CB 3.3Å; V145-L148 WeakPolarHBondContact O-CB 2.85Å; V145-L148 WeakPolarHBondContact O-CG 3.48Å; V145-L148 PolarHBondContact O-N 3.02Å; V145-I151 HydrophobicContact CG1-CD1 3.82Å; V145-I196 HydrophobicContact CB-CG2 4.23Å; V145-I196 HydrophobicContact CG1-CG2 4.04Å; V145-I196 HydrophobicContact CG2-CG2 4.42Å; V145-I197 HydrophobicContact CG1-CD1 4.5Å; V145-I197 HydrophobicContact CG1-CG1 3.77Å; V145-I197 HydrophobicContact CG2-CD1 4.46Å; V145-I197 HydrophobicContact CG2-CG1 4.48Å
146D97.7Very high98.1Very high108 Ų10840.7 Ų40.758%0.57821%0.21SC*.Hα-helixtrans-63.4-29.5-179.5-71.6-24.9000112.7R142 P143 L148R142-D146 PolarHBondContact O-N 3.21Å; P143-D146 PolarHBondContact O-N 3.46Å; D146-L148 PolarHBondContact O-N 3.31Å
147Q97.9Very high98.3Very high129 Ų12938 Ų3860%0.60320%0.196SC*.THydrogen-bonded Turntrans-73-10.7175-66169.914.900114.2P143 A144 V145P143-Q147 WeakPolarHBondContact O-CG 3.34Å; P143-Q147 PolarHBondContact O-N 3.01Å; A144-Q147 PolarHBondContact O-N 2.87Å; V145-Q147 PolarHBondContact O-N 3.13Å
148L98.6Very high98.3Very high2 Ų238.5 Ų38.51%0.0120%0.199CC..SBendtrans-75.5138.1175-55.3-174.1000109.1W75 V77 M101 V145 D146 I151 K200W75-L148 HydrophobicContact CB-CB 4.48Å; W75-L148 HydrophobicContact CB-CD1 3.99Å; W75-L148 HydrophobicContact CD2-CD1 4.43Å; W75-L148 HydrophobicContact CD2-CD2 3.57Å; W75-L148 HydrophobicContact CD2-CG 4.42Å; W75-L148 HydrophobicContact CE3-CD2 3.77Å; W75-L148 HydrophobicContact CG-CB 4.15Å; W75-L148 HydrophobicContact CG-CD1 4.17Å; W75-L148 HydrophobicContact CG-CD2 3.94Å; W75-L148 HydrophobicContact CG-CG 4.31Å; W75-L148 HydrophobicContact CH2-CD2 4.49Å; W75-L148 HydrophobicContact CZ2-CD2 4.31Å; W75-L148 HydrophobicContact CZ3-CD2 4.22Å; V77-L148 HydrophobicContact CG2-CD1 3.77Å; M101-L148 HydrophobicContact CB-CD1 4.22Å; M101-L148 HydrophobicContact CE-CD1 3.75Å; M101-L148 HydrophobicContact CE-CD2 3.63Å; M101-L148 HydrophobicContact CE-CG 3.79Å; M101-L148 HydrophobicContact SD-CD1 3.99Å; V145-L148 VanDerWaalsContact O-CB 3.3Å; V145-L148 WeakPolarHBondContact O-CB 2.85Å; V145-L148 WeakPolarHBondContact O-CG 3.48Å; V145-L148 PolarHBondContact O-N 3.02Å; D146-L148 PolarHBondContact O-N 3.31Å; L148-I151 HydrophobicContact CB-CG1 4.33Å; L148-I151 HydrophobicContact CD1-CD1 4.14Å; L148-I151 HydrophobicContact CD1-CG1 4.23Å; L148-K200 WeakPolarHBondContact O-CE 3.37Å; L148-K200 PolarHBondContact O-NZ 3.25Å
149S97.4Very high98.3Very high55 Ų5538.7 Ų38.739%0.38521%0.205SC..SBendtrans-60.9-67.2177.945.90000110.7E74 K200E74-S149 WeakPolarHBondContact OE2-CB 3.48Å; E74-S149 PolarHBondContact OE2-OG 3.09Å; S149-K200 WeakPolarHBondContact O-CE 3.47Å; S149-K200 PolarHBondContact O-NZ 2.92Å; S149-K200 VanDerWaalsContact O-NZ 3.1Å
150T98.5Very high98.3Very high17 Ų1734 Ų3410%0.10418%0.184CC..  trans-144.2148.6-17863.80000109.7G73 E74 W75 Q204 E206G73-T150 VanDerWaalsContact CA-OG1 3.31Å; G73-T150 WeakPolarHBondContact CA-OG1 3.4Å; E74-T150 PolarHBondContact N-O 2.87Å; E74-T150 PolarHBondContact N-OG1 3.18Å; W75-T150 PolarHBondContact N-O 3.31Å; T150-Q204 HydrophobicContact CG2-CB 4.07Å; T150-E206 WeakPolarHBondContact CG2-OE1 3.5Å; T150-E206 WeakPolarHBondContact CG2-OE2 3.43Å
151I98.8Very high98.1Very high0 Ų031.2 Ų31.20%018%0.178CC..EExtended strand (participates in β ladder)trans-118.7115.3-172.6-55.2176.7000109.1W75 V77 V145 L148 I197 K200 M201 Q204 P209W75-I151 CarbonylContact O-C 3.56Å; W75-I151 WeakPolarHBondContact O-CA 3.37Å; V77-I151 HydrophobicContact CG2-CD1 4.22Å; V77-I151 HydrophobicContact CG2-CG2 4.19Å; V145-I151 HydrophobicContact CG1-CD1 3.82Å; L148-I151 HydrophobicContact CB-CG1 4.33Å; L148-I151 HydrophobicContact CD1-CD1 4.14Å; L148-I151 HydrophobicContact CD1-CG1 4.23Å; I151-I197 HydrophobicContact CD1-CG1 4.16Å; I151-I197 HydrophobicContact CD1-CG2 3.99Å; I151-I197 HydrophobicContact CG2-CG2 4.08Å; I151-K200 HydrophobicContact CD1-CD 3.88Å; I151-K200 HydrophobicContact CG1-CD 4.27Å; I151-M201 HydrophobicContact CB-CE 4.33Å; I151-M201 HydrophobicContact CB-CG 4.47Å; I151-M201 HydrophobicContact CG2-CE 3.64Å; I151-Q204 PolarHBondContact O-NE2 2.69Å; I151-Q204 PolarHBondContact O-OE1 2.64Å; I151-P209 WeakPolarHBondContact O-CB 3.34Å
152A98.7Very high97.8Very high0 Ų032.9 Ų32.90%019%0.187CC..EExtended strand (participates in β ladder)trans-75.6-44.317500000111.4L69 A72 W75 L98 P209 G210L69-A152 WeakPolarHBondContact O-CB 3.34Å; A72-A152 HydrophobicContact CB-CB 4.01Å; W75-A152 PolarHBondContact O-N 2.96Å; L98-A152 HydrophobicContact CD1-CB 3.86Å; L98-A152 HydrophobicContact CD2-CB 3.74Å; L98-A152 HydrophobicContact CG-CB 4.5Å; A152-P209 CarbonylContact O-C 3.5Å; A152-P209 VanDerWaalsContact O-CA 3.29Å; A152-P209 WeakPolarHBondContact O-CA 3.47Å; A152-G210 PolarHBondContact O-N 3.29Å
153C98.7Very high97.3Very high0 Ų032.1 Ų32.10%020%0.195CC..EExtended strand (participates in β ladder)trans-146.2137.1-172.4-167.60000113.7L69 A76 V77 L93 G210L69-C153 HydrophobicContact CD2-CB 3.96Å; A76-C153 CarbonylContact C-O 3.57Å; A76-C153 WeakPolarHBondContact CA-O 3.4Å; A76-C153 HydrophobicContact CB-CB 4.29Å; V77-C153 PolarHBondContact N-O 3.22Å; L93-C153 HydrophobicContact CD2-CB 4.36Å; C153-G210 CarbonylContact C-O 3.58Å; C153-G210 WeakPolarHBondContact CA-O 3.5Å
154L98.9Very high96.8Very high0 Ų032.6 Ų32.60%019%0.191CC..EExtended strand (participates in β ladder)trans-107.4125.5162.216761000108.3V77 N156 M193 I197 M201 G210 I211 I212V77-L154 HydrophobicContact CB-CD1 4.09Å; V77-L154 HydrophobicContact CG1-CD1 4.14Å; V77-L154 CarbonylContact O-C 3.27Å; V77-L154 WeakPolarHBondContact O-CA 3.31Å; L154-N156 WeakPolarHBondContact CD2-ND2 3.45Å; L154-M193 HydrophobicContact CD1-CE 4.39Å; L154-M193 HydrophobicContact CD2-CB 4.15Å; L154-I197 HydrophobicContact CB-CD1 4.23Å; L154-I197 HydrophobicContact CB-CG2 4.19Å; L154-I197 HydrophobicContact CD1-CD1 3.67Å; L154-I197 HydrophobicContact CD2-CB 4.19Å; L154-I197 HydrophobicContact CD2-CD1 3.85Å; L154-I197 HydrophobicContact CD2-CG2 4.44Å; L154-I197 HydrophobicContact CG-CD1 4.11Å; L154-M201 HydrophobicContact CB-CE 4.1Å; L154-G210 PolarHBondContact N-O 3.31Å; L154-I211 HydrophobicContact CB-CG1 4.25Å; L154-I211 HydrophobicContact CB-CG2 4.37Å; L154-I211 HydrophobicContact CD2-CD1 4.37Å; L154-I211 HydrophobicContact CD2-CG1 4.47Å; L154-I211 HydrophobicContact CD2-CG2 4.05Å; L154-I211 HydrophobicContact CG-CG2 4.22Å; L154-I211 CarbonylContact O-C 3.48Å; L154-I211 WeakPolarHBondContact O-CA 3.35Å; L154-I212 PolarHBondContact O-N 3.11Å
155V99Very high96.3Very high0 Ų033.5 Ų33.50%019%0.192CC..EExtended strand (participates in β ladder)trans-106.699.7168.7-173.80000108.5V77 V78 T79 Y89 L93 N157 I212 I214V77-V155 PolarHBondContact O-N 3.28Å; V78-V155 HydrophobicContact CB-CB 4.47Å; V78-V155 HydrophobicContact CG1-CB 4.13Å; V78-V155 HydrophobicContact CG1-CG1 4.45Å; V78-V155 HydrophobicContact CG2-CB 4.2Å; V78-V155 HydrophobicContact CG2-CG2 4.25Å; T79-V155 PolarHBondContact N-O 3.44Å; T79-V155 PolarHBondContact OG1-O 2.8Å; Y89-V155 HydrophobicContact CD1-CG1 4.34Å; Y89-V155 HydrophobicContact CD1-CG2 4.11Å; Y89-V155 HydrophobicContact CD2-CG1 4.2Å; Y89-V155 HydrophobicContact CG-CG1 4.03Å; Y89-V155 HydrophobicContact CG-CG2 4.43Å; L93-V155 HydrophobicContact CD1-CG2 3.7Å; V155-N157 VanDerWaalsContact C-N 3.32Å; V155-N157 HydrophobicContact CG1-CB 3.94Å; V155-N157 PolarHBondContact O-N 3.22Å; V155-I212 CarbonylContact C-O 3.52Å; V155-I212 WeakPolarHBondContact CA-O 3.36Å; V155-I212 HydrophobicContact CG2-CB 4.37Å; V155-I212 HydrophobicContact CG2-CD1 4.34Å; V155-I214 HydrophobicContact CG1-CD1 4.38Å; V155-I214 HydrophobicContact CG1-CG1 4.21Å
156N98.9Very high95.8Very high6 Ų637.5 Ų37.53%0.03221%0.213CC..EExtended strand (participates in β ladder)trans-77.586.4170-73.8-45.3000108.8L154 A190 M193 T194 I212 N213 I214L154-N156 WeakPolarHBondContact CD2-ND2 3.45Å; N156-A190 HydrophobicContact CB-CB 3.95Å; N156-A190 PolarHBondContact ND2-O 3.34Å; N156-M193 VanDerWaalsContact OD1-CB 3.28Å; N156-M193 WeakPolarHBondContact OD1-CB 3.39Å; N156-T194 PolarHBondContact ND2-OG1 3.46Å; N156-I212 PolarHBondContact N-O 2.82Å; N156-N213 VanDerWaalsContact CB-OD1 3.29Å; N156-N213 WeakPolarHBondContact CB-OD1 3.49Å; N156-N213 PolarHBondContact ND2-OD1 3.48Å; N156-I214 PolarHBondContact O-N 2.92Å
157N98.8Very high95.5Very high23 Ų2338.3 Ų38.312%0.12321%0.212CC..  trans-106.4-26.8-178.2161.586.7000113.5T79 G80 I85 G86 V155 G159 I214T79-N157 VanDerWaalsContact O-CB 3.26Å; T79-N157 WeakPolarHBondContact O-CB 3.35Å; T79-N157 PolarHBondContact O-ND2 3.48Å; T79-N157 PolarHBondContact OG1-N 3.48Å; G80-N157 PolarHBondContact O-ND2 3.49Å; G80-N157 VanDerWaalsContact O-ND2 3.15Å; I85-N157 WeakPolarHBondContact CB-OD1 3.37Å; I85-N157 WeakPolarHBondContact CG2-OD1 3.46Å; G86-N157 WeakPolarHBondContact CA-ND2 3.49Å; G86-N157 PolarHBondContact N-ND2 3.43Å; G86-N157 PolarHBondContact N-OD1 2.84Å; V155-N157 VanDerWaalsContact C-N 3.32Å; V155-N157 HydrophobicContact CG1-CB 3.94Å; V155-N157 PolarHBondContact O-N 3.22Å; N157-G159 PolarHBondContact O-N 3.3Å; N157-I214 HydrophobicContact CB-CB 4.35Å; N157-I214 HydrophobicContact CB-CG1 3.71Å
158V98.3Very high95.1Very high21 Ų2135.3 Ų35.313%0.12721%0.205CC..  trans-50.8139.6-177.771.10000111.4T79 F132 S189T79-V158 PolarHBondContact O-N 3.4Å; T79-V158 WeakPolarHBondContact OG1-CG1 3.48Å; T79-V158 PolarHBondContact OG1-N 2.76Å; F132-V158 HydrophobicContact CB-CG1 4.43Å; F132-V158 HydrophobicContact CB-CG2 4.36Å; F132-V158 HydrophobicContact CD1-CG1 4.47Å; F132-V158 HydrophobicContact CD2-CB 4.12Å; F132-V158 HydrophobicContact CD2-CG1 3.83Å; F132-V158 HydrophobicContact CD2-CG2 3.73Å; F132-V158 HydrophobicContact CE2-CB 4.37Å; F132-V158 HydrophobicContact CE2-CG1 4.09Å; F132-V158 HydrophobicContact CE2-CG2 4.38Å; F132-V158 HydrophobicContact CG-CG1 4Å; F132-V158 HydrophobicContact CG-CG2 4.32Å; V158-S189 WeakPolarHBondContact CG1-OG 3.29Å
159G97.2Very high94.5Very high19 Ų1938.5 Ų38.520%0.19624%0.239CC..  trans-179.3165.1173.900000111.4N157 N186 M266N157-G159 PolarHBondContact O-N 3.3Å; G159-N186 WeakPolarHBondContact CA-OD1 3.37Å; G159-M266 WeakPolarHBondContact O-CE 3.44Å
160M97Very high93.8Very high50 Ų5041.2 Ų41.225%0.24625%0.245CC..  trans-133.4152.217864.5-174.3-64.500110.6T133 L162 N181 I182 C185 N186 Y229T133-M160 HydrophobicContact CG2-SD 3.96Å; M160-L162 HydrophobicContact CE-CD2 4.43Å; M160-N181 HydrophobicContact CE-CB 4.29Å; M160-N181 HydrophobicContact SD-CB 4.08Å; M160-I182 HydrophobicContact CG-CB 4.12Å; M160-I182 HydrophobicContact CG-CG1 4Å; M160-I182 WeakPolarHBondContact O-CD1 3.27Å; M160-I182 HydrophobicContact SD-CB 4.34Å; M160-C185 HydrophobicContact CG-CB 3.92Å; M160-C185 HydrophobicContact SD-CB 3.74Å; M160-N186 PolarHBondContact N-OD1 3.04Å; M160-N186 PolarHBondContact O-ND2 3.29Å; M160-N186 PolarHBondContact O-OD1 2.97Å; M160-Y229 VanDerWaalsContact O-CD2 3.29Å; M160-Y229 WeakPolarHBondContact O-CD2 3.43Å
161G93.6Very high93Very high34 Ų3448.6 Ų48.635%0.35128%0.282SS..  trans-96171.2165.900000111
162L92.4Very high92.2Very high35 Ų3553.3 Ų53.318%0.18331%0.307CS..  trans-117.8161.4163.2-66.2-179.5000108.3M160 P174 I182 L228M160-L162 HydrophobicContact CE-CD2 4.43Å; L162-P174 HydrophobicContact CD1-CB 3.87Å; L162-P174 HydrophobicContact CD1-CG 3.83Å; L162-I182 HydrophobicContact CD1-CB 4.47Å; L162-I182 HydrophobicContact CD1-CD1 4.25Å; L162-I182 HydrophobicContact CD1-CG2 4.02Å; L162-I182 HydrophobicContact CG-CB 4.42Å; L162-I182 HydrophobicContact CG-CD1 3.88Å; L162-I182 HydrophobicContact CG-CG2 4.5Å; L162-L228 HydrophobicContact CD1-CD2 4.15Å
163P87.3Confident91.7Very high90 Ų9054 Ų5458%0.58431%0.312SS*.  trans-49.7145.2169.2-27.536.4000111.9E165P163-E165 VanDerWaalsContact C-N 3.27Å; P163-E165 HydrophobicContact CB-CG 3.88Å; P163-E165 PolarHBondContact O-N 2.81Å
164F87.8Confident91.3Very high78 Ų7855.1 Ų55.134%0.34232%0.319SS..SBendtrans-76.576.2-178.9-81.1-93.1000111.1Y225 A226 A325 L329F164-Y225 CarbonylContact C-O 3.5Å; F164-Y225 VanDerWaalsContact CA-O 3.3Å; F164-Y225 WeakPolarHBondContact CA-O 3.32Å; F164-A226 HydrophobicContact CD1-CB 3.95Å; F164-A226 HydrophobicContact CE1-CB 3.63Å; F164-A226 HydrophobicContact CZ-CB 4.4Å; F164-A325 HydrophobicContact CD1-CB 4.34Å; F164-L329 WeakPolarHBondContact O-CD1 3.32Å; F164-L329 VanDerWaalsContact O-CD2 3.25Å; F164-L329 WeakPolarHBondContact O-CD2 3.44Å; F164-L329 WeakPolarHBondContact O-CG 3.12Å
165E87.7Confident91.1Very high37 Ų3759.5 Ų59.517%0.17334%0.343CS..  trans-122.2162.4-170.1-67.7-73.9-168.600112.9P163 N172 Y225P163-E165 VanDerWaalsContact C-N 3.27Å; P163-E165 HydrophobicContact CB-CG 3.88Å; P163-E165 PolarHBondContact O-N 2.81Å; E165-N172 HydrophobicContact CB-CB 4.46Å; E165-N172 WeakPolarHBondContact CB-O 3.33Å; E165-N172 VanDerWaalsContact CD-CB 3.49Å; E165-N172 HydrophobicContact CG-CB 3.67Å; E165-N172 WeakPolarHBondContact CG-O 3.44Å; E165-N172 VanDerWaalsContact OE1-CB 3.27Å; E165-N172 WeakPolarHBondContact OE1-CB 2.97Å; E165-N172 PolarHBondContact OE1-ND2 3.44Å; E165-Y225 PolarHBondContact N-O 3.4Å; E165-Y225 WeakPolarHBondContact O-CA 3.26Å
166L89.5Confident90.9Very high83 Ų8367.3 Ų67.344%0.43538%0.379SS..  trans-64.8139170.8-74.9173.2000109.9S168 S173 Y225L166-S168 WeakPolarHBondContact CB-OG 3.39Å; L166-S168 PolarHBondContact O-N 3.14Å; L166-S168 VanDerWaalsContact O-N 3.09Å; L166-S173 WeakPolarHBondContact O-CB 3.16Å; L166-S173 PolarHBondContact O-OG 3.04Å; L166-Y225 HydrophobicContact CD2-CD1 3.96Å; L166-Y225 HydrophobicContact CD2-CE1 3.47Å; L166-Y225 VanDerWaalsContact CD2-CE1 3.47Å; L166-Y225 HydrophobicContact CG-CD1 4.22Å; L166-Y225 HydrophobicContact CG-CE1 3.87Å
167F90.1Very high90.7Very high126 Ų12672.4 Ų72.455%0.55340%0.403SS*.SBendtrans-86.665.5171.6-160.1-88.6000108.9P174 I179F167-P174 HydrophobicContact CD2-CB 4.17Å; F167-P174 HydrophobicContact CD2-CG 3.88Å; F167-P174 HydrophobicContact CE2-CB 3.91Å; F167-P174 HydrophobicContact CE2-CG 4.13Å; F167-I179 HydrophobicContact CE2-CD1 4.14Å; F167-I179 HydrophobicContact CE2-CG1 4.39Å; F167-I179 HydrophobicContact CZ-CD1 3.97Å
168S89.8Confident90.6Very high65 Ų6572.4 Ų72.446%0.45541%0.405SS..SBendtrans-125.5-0.1-170.852.30000114.1L166 E170 S173L166-S168 WeakPolarHBondContact CB-OG 3.39Å; L166-S168 PolarHBondContact O-N 3.14Å; L166-S168 VanDerWaalsContact O-N 3.09Å; S168-E170 VanDerWaalsContact C-N 3.29Å; S168-E170 WeakPolarHBondContact OG-CG 3.44Å; S168-E170 PolarHBondContact OG-OE1 3.22Å; S168-S173 PolarHBondContact N-OG 3.47Å
169G85.3Confident90.5Very high70 Ų7073.6 Ų73.672%0.72241%0.41SS*.SBendtrans78.79.9-177.300000114.4S173G169-S173 PolarHBondContact N-OG 3.37Å
170E83.9Confident90.6Very high111 Ų11178 Ų7852%0.51942%0.42SS..SBendtrans-66.4169.6169.8-69.5164.7-137.200111.7S168 N172 S173S168-E170 VanDerWaalsContact C-N 3.29Å; S168-E170 WeakPolarHBondContact OG-CG 3.44Å; S168-E170 PolarHBondContact OG-OE1 3.22Å; E170-N172 PolarHBondContact O-N 3.39Å; E170-N172 VanDerWaalsContact O-N 3.08Å; E170-S173 WeakPolarHBondContact O-CB 3.23Å; E170-S173 PolarHBondContact O-N 2.98Å
171I81.6Confident90.6Very high173 Ų17377 Ų7789%0.88742%0.416SS*.THydrogen-bonded Turntrans-50.7-40.6-172-65.8170.4000113.3
172N81.7Confident90.8Very high98 Ų9875.3 Ų75.352%0.52440%0.399SS..THydrogen-bonded Turntrans-97.31-179.7-60.6-19.2000113.6E165 E170E165-N172 HydrophobicContact CB-CB 4.46Å; E165-N172 WeakPolarHBondContact CB-O 3.33Å; E165-N172 VanDerWaalsContact CD-CB 3.49Å; E165-N172 HydrophobicContact CG-CB 3.67Å; E165-N172 WeakPolarHBondContact CG-O 3.44Å; E165-N172 VanDerWaalsContact OE1-CB 3.27Å; E165-N172 WeakPolarHBondContact OE1-CB 2.97Å; E165-N172 PolarHBondContact OE1-ND2 3.44Å; E170-N172 PolarHBondContact O-N 3.39Å; E170-N172 VanDerWaalsContact O-N 3.08Å
173S88.1Confident91.1Very high14 Ų1476.9 Ų76.910%0.09841%0.407CS..SBendtrans-61.6147.8175178.90000109.6L166 S168 G169 E170 N175L166-S173 WeakPolarHBondContact O-CB 3.16Å; L166-S173 PolarHBondContact O-OG 3.04Å; S168-S173 PolarHBondContact N-OG 3.47Å; G169-S173 PolarHBondContact N-OG 3.37Å; E170-S173 WeakPolarHBondContact O-CB 3.23Å; E170-S173 PolarHBondContact O-N 2.98Å; S173-N175 PolarHBondContact O-N 3.45Å; S173-N175 VanDerWaalsContact O-N 3.09Å
174P91.6Very high91.6Very high24 Ų2474.5 Ų74.516%0.15639%0.388CS..PPolyproline II helixtrans-50.6121170.7-29.537.8000111.6L162 F167 S178 I179L162-P174 HydrophobicContact CD1-CB 3.87Å; L162-P174 HydrophobicContact CD1-CG 3.83Å; F167-P174 HydrophobicContact CD2-CB 4.17Å; F167-P174 HydrophobicContact CD2-CG 3.88Å; F167-P174 HydrophobicContact CE2-CB 3.91Å; F167-P174 HydrophobicContact CE2-CG 4.13Å; P174-S178 WeakPolarHBondContact CA-OG 3.44Å; P174-I179 HydrophobicContact CB-CD1 4.35Å; P174-I179 HydrophobicContact CB-CG1 3.87Å
175N93.3Very high92.2Very high93 Ų9371.2 Ų71.250%0.49738%0.375SS..PPolyproline II helixtrans-90.3170.7172.266.527.1000111S173 E177 S178 I179S173-N175 PolarHBondContact O-N 3.45Å; S173-N175 VanDerWaalsContact O-N 3.09Å; N175-E177 PolarHBondContact O-N 3.15Å; N175-E177 VanDerWaalsContact O-N 3.16Å; N175-E177 PolarHBondContact OD1-N 3.03Å; N175-S178 PolarHBondContact N-OG 3.47Å; N175-S178 PolarHBondContact O-N 2.91Å; N175-S178 PolarHBondContact O-OG 2.86Å; N175-S178 WeakPolarHBondContact OD1-CB 3.16Å; N175-S178 PolarHBondContact OD1-N 3.48Å; N175-S178 PolarHBondContact OD1-OG 3.22Å; N175-I179 WeakPolarHBondContact O-CB 3.38Å; N175-I179 WeakPolarHBondContact O-CG1 3.34Å; N175-I179 PolarHBondContact O-N 3.31Å
176E94.4Very high92.7Very high164 Ų16469.5 Ų69.577%0.76637%0.367SS*.Hα-helixtrans-53.6-38.4-177.8-66.4-174.8-177.100113.6R180E176-R180 WeakPolarHBondContact O-CB 3.5Å; E176-R180 PolarHBondContact O-N 2.74Å
177E95.9Very high93.1Very high113 Ų11367.8 Ų67.853%0.52836%0.358SS..Hα-helixtrans-66.3-51.8178.3-174.3-177.5177.700112.1N175 I179 R180 N181N175-E177 PolarHBondContact O-N 3.15Å; N175-E177 VanDerWaalsContact O-N 3.16Å; N175-E177 PolarHBondContact OD1-N 3.03Å; E177-I179 VanDerWaalsContact C-N 3.25Å; E177-I179 PolarHBondContact O-N 3.21Å; E177-R180 PolarHBondContact O-N 2.9Å; E177-N181 WeakPolarHBondContact O-CB 3.42Å; E177-N181 PolarHBondContact O-N 3.19Å; E177-N181 PolarHBondContact O-OD1 2.82Å
178S95.9Very high93.5Very high23 Ų2364.7 Ų64.716%0.16135%0.347CS..Hα-helixtrans-61.4-35.3178.271.80000112.1P174 N175 I182P174-S178 WeakPolarHBondContact CA-OG 3.44Å; N175-S178 PolarHBondContact N-OG 3.47Å; N175-S178 PolarHBondContact O-N 2.91Å; N175-S178 PolarHBondContact O-OG 2.86Å; N175-S178 WeakPolarHBondContact OD1-CB 3.16Å; N175-S178 PolarHBondContact OD1-N 3.48Å; N175-S178 PolarHBondContact OD1-OG 3.22Å; S178-I182 VanDerWaalsContact O-CG2 3.32Å; S178-I182 WeakPolarHBondContact O-CG2 3.36Å; S178-I182 PolarHBondContact O-N 3.4Å
179I97.2Very high93.9Very high45 Ų4561.7 Ų61.723%0.23133%0.326CS..Hα-helixtrans-64.2-48.7175.7-70.1166.4000110.3F167 P174 N175 E177 I182 I183 L228F167-I179 HydrophobicContact CE2-CD1 4.14Å; F167-I179 HydrophobicContact CE2-CG1 4.39Å; F167-I179 HydrophobicContact CZ-CD1 3.97Å; P174-I179 HydrophobicContact CB-CD1 4.35Å; P174-I179 HydrophobicContact CB-CG1 3.87Å; N175-I179 WeakPolarHBondContact O-CB 3.38Å; N175-I179 WeakPolarHBondContact O-CG1 3.34Å; N175-I179 PolarHBondContact O-N 3.31Å; E177-I179 VanDerWaalsContact C-N 3.25Å; E177-I179 PolarHBondContact O-N 3.21Å; I179-I182 VanDerWaalsContact O-CG2 3.31Å; I179-I182 WeakPolarHBondContact O-CG2 3.28Å; I179-I183 HydrophobicContact CG2-CD1 3.83Å; I179-I183 WeakPolarHBondContact O-CB 3.24Å; I179-I183 WeakPolarHBondContact O-CD1 3.28Å; I179-I183 VanDerWaalsContact O-CG1 3.25Å; I179-I183 WeakPolarHBondContact O-CG1 3.44Å; I179-I183 PolarHBondContact O-N 3.2Å; I179-I183 VanDerWaalsContact O-N 3.12Å; I179-L228 HydrophobicContact CB-CD2 4.13Å; I179-L228 HydrophobicContact CG1-CD2 3.85Å; I179-L228 HydrophobicContact CG2-CD2 4.08Å
180R97.7Very high94.6Very high111 Ų11158.6 Ų58.642%0.41929%0.293SS..Hα-helixtrans-62.6-46.2177.1-167.8-169.5-33.793.24.9111.4E176 E177 I182 I183 H184E176-R180 WeakPolarHBondContact O-CB 3.5Å; E176-R180 PolarHBondContact O-N 2.74Å; E177-R180 PolarHBondContact O-N 2.9Å; R180-I182 PolarHBondContact O-N 3.05Å; R180-I183 PolarHBondContact O-N 2.85Å; R180-H184 WeakPolarHBondContact O-CB 3.06Å; R180-H184 PolarHBondContact O-CD2 3.06Å; R180-H184 PolarHBondContact O-N 2.68Å
181N98.3Very high95.3Very high29 Ų2955.8 Ų55.816%0.15528%0.283CS..Hα-helixtrans-60.3-46.4-177.5-69.6-5.1000111.3T133 M160 E177 H184 C185T133-N181 HydrophobicContact CG2-CB 3.89Å; M160-N181 HydrophobicContact CE-CB 4.29Å; M160-N181 HydrophobicContact SD-CB 4.08Å; E177-N181 WeakPolarHBondContact O-CB 3.42Å; E177-N181 PolarHBondContact O-N 3.19Å; E177-N181 PolarHBondContact O-OD1 2.82Å; N181-H184 PolarHBondContact O-N 2.96Å; N181-C185 WeakPolarHBondContact O-CB 3.5Å; N181-C185 PolarHBondContact O-N 3.38Å
182I98Very high96.1Very high0 Ų048.5 Ų48.50%025%0.247CC..Hα-helixtrans-69.4-34.6178.1-168.6167.1000112.6M160 L162 S178 I179 R180 N186 L228 Y229 T232M160-I182 HydrophobicContact CG-CB 4.12Å; M160-I182 HydrophobicContact CG-CG1 4Å; M160-I182 WeakPolarHBondContact O-CD1 3.27Å; M160-I182 HydrophobicContact SD-CB 4.34Å; L162-I182 HydrophobicContact CD1-CB 4.47Å; L162-I182 HydrophobicContact CD1-CD1 4.25Å; L162-I182 HydrophobicContact CD1-CG2 4.02Å; L162-I182 HydrophobicContact CG-CB 4.42Å; L162-I182 HydrophobicContact CG-CD1 3.88Å; L162-I182 HydrophobicContact CG-CG2 4.5Å; S178-I182 VanDerWaalsContact O-CG2 3.32Å; S178-I182 WeakPolarHBondContact O-CG2 3.36Å; S178-I182 PolarHBondContact O-N 3.4Å; I179-I182 VanDerWaalsContact O-CG2 3.31Å; I179-I182 WeakPolarHBondContact O-CG2 3.28Å; R180-I182 PolarHBondContact O-N 3.05Å; I182-N186 HydrophobicContact CG1-CB 4.43Å; I182-N186 VanDerWaalsContact CG1-ND2 3.31Å; I182-N186 WeakPolarHBondContact CG1-ND2 3.28Å; I182-N186 WeakPolarHBondContact O-CB 3.08Å; I182-N186 PolarHBondContact O-N 2.93Å; I182-L228 HydrophobicContact CG2-CD2 3.33Å; I182-L228 HydrophobicContact CG2-CG 3.65Å; I182-Y229 HydrophobicContact CD1-CD2 4.24Å; I182-T232 HydrophobicContact CG1-CG2 4.27Å
183I98.4Very high96.9Very high67 Ų6743.8 Ų43.834%0.34422%0.222SC..Hα-helixtrans-66.1-45.4175.4-70.9169.1000110.4I179 R180 I187 L188 L228I179-I183 HydrophobicContact CG2-CD1 3.83Å; I179-I183 WeakPolarHBondContact O-CB 3.24Å; I179-I183 WeakPolarHBondContact O-CD1 3.28Å; I179-I183 VanDerWaalsContact O-CG1 3.25Å; I179-I183 WeakPolarHBondContact O-CG1 3.44Å; I179-I183 PolarHBondContact O-N 3.2Å; I179-I183 VanDerWaalsContact O-N 3.12Å; R180-I183 PolarHBondContact O-N 2.85Å; I183-I187 HydrophobicContact CG2-CD1 4.49Å; I183-I187 WeakPolarHBondContact O-CA 3.44Å; I183-I187 WeakPolarHBondContact O-CB 3.29Å; I183-I187 PolarHBondContact O-N 3.32Å; I183-L188 PolarHBondContact O-N 2.85Å; I183-L188 VanDerWaalsContact O-N 3.11Å; I183-L228 HydrophobicContact CG1-CD1 4.47Å
184H98.3Very high97.4Very high40 Ų4043.4 Ų43.419%0.18522%0.219CC..Iπ-helixtrans-61.4-52.3176.5-78.8-152.7000111.1F132 T133 R180 N181 L188 S189F132-H184 CarbonylContact O-C 3.57Å; F132-H184 VanDerWaalsContact O-C 3.32Å; F132-H184 WeakPolarHBondContact O-CB 3.38Å; T133-H184 PolarHBondContact O-ND1 3.39Å; T133-H184 VanDerWaalsContact O-ND1 3.11Å; R180-H184 WeakPolarHBondContact O-CB 3.06Å; R180-H184 PolarHBondContact O-CD2 3.06Å; R180-H184 PolarHBondContact O-N 2.68Å; N181-H184 PolarHBondContact O-N 2.96Å; H184-L188 WeakPolarHBondContact O-CB 3.26Å; H184-L188 PolarHBondContact O-N 3.43Å; H184-S189 PolarHBondContact O-N 3.5Å
185C98.6Very high97.8Very high9 Ų945.6 Ų45.66%0.06124%0.235CC..Iπ-helixtrans-70.8-36.3-174-174.70000113.3F132 T133 M160 N181 S189F132-C185 WeakPolarHBondContact O-CA 3.17Å; F132-C185 PolarHBondContact O-N 2.89Å; T133-C185 HydrophobicContact CG2-CB 4.25Å; M160-C185 HydrophobicContact CG-CB 3.92Å; M160-C185 HydrophobicContact SD-CB 3.74Å; N181-C185 WeakPolarHBondContact O-CB 3.5Å; N181-C185 PolarHBondContact O-N 3.38Å; C185-S189 WeakPolarHBondContact O-CB 3.36Å; C185-S189 PolarHBondContact O-OG 3.18Å
186N98.6Very high98Very high2 Ų242 Ų421%0.01122%0.215CC..Iπ-helixtrans-96-29-176.1-67.13.5000114.4G159 M160 I182 T232 I236G159-N186 WeakPolarHBondContact CA-OD1 3.37Å; M160-N186 PolarHBondContact N-OD1 3.04Å; M160-N186 PolarHBondContact O-ND2 3.29Å; M160-N186 PolarHBondContact O-OD1 2.97Å; I182-N186 HydrophobicContact CG1-CB 4.43Å; I182-N186 VanDerWaalsContact CG1-ND2 3.31Å; I182-N186 WeakPolarHBondContact CG1-ND2 3.28Å; I182-N186 WeakPolarHBondContact O-CB 3.08Å; I182-N186 PolarHBondContact O-N 2.93Å; N186-T232 HydrophobicContact CB-CG2 4.14Å; N186-T232 WeakPolarHBondContact CB-OG1 3.26Å; N186-T232 PolarHBondContact ND2-OG1 3.12Å; N186-I236 WeakPolarHBondContact O-CD1 3.46Å; N186-I236 VanDerWaalsContact O-CG1 3.32Å; N186-I236 WeakPolarHBondContact O-CG1 3.43Å
187I98.8Very high98.2Very high47 Ų4734.1 Ų34.124%0.24118%0.179CC..Iπ-helixtrans-108.6-61.2-176.4-53.3179.9000110.5I183 S189 A190 V191 T232 A235I183-I187 HydrophobicContact CG2-CD1 4.49Å; I183-I187 WeakPolarHBondContact O-CA 3.44Å; I183-I187 WeakPolarHBondContact O-CB 3.29Å; I183-I187 PolarHBondContact O-N 3.32Å; I187-S189 VanDerWaalsContact C-N 3.27Å; I187-S189 PolarHBondContact O-N 3.25Å; I187-A190 PolarHBondContact O-N 2.9Å; I187-V191 HydrophobicContact CG2-CG2 4.31Å; I187-V191 WeakPolarHBondContact O-CG2 3.36Å; I187-V191 PolarHBondContact O-N 3.41Å; I187-V191 VanDerWaalsContact O-N 3.11Å; I187-T232 HydrophobicContact CD1-CG2 3.88Å; I187-T232 HydrophobicContact CG1-CG2 3.96Å; I187-A235 HydrophobicContact CD1-CB 3.96Å; I187-A235 HydrophobicContact CG1-CB 4.31Å
188L98.5Very high98.3Very high61 Ų6129.6 Ų29.632%0.31916%0.158SC..Iπ-helixtrans-61.3-39-172.5-172.562.3000111.2Y138 I183 H184 A190 V191 T192Y138-L188 HydrophobicContact CE2-CD2 4.39Å; Y138-L188 HydrophobicContact CE2-CG 4.43Å; Y138-L188 PolarHBondContact OH-O 3.46Å; I183-L188 PolarHBondContact O-N 2.85Å; I183-L188 VanDerWaalsContact O-N 3.11Å; H184-L188 WeakPolarHBondContact O-CB 3.26Å; H184-L188 PolarHBondContact O-N 3.43Å; L188-A190 PolarHBondContact O-N 2.85Å; L188-V191 PolarHBondContact O-N 3.18Å; L188-T192 WeakPolarHBondContact CD1-OG1 3.46Å; L188-T192 WeakPolarHBondContact O-CB 3.4Å; L188-T192 PolarHBondContact O-N 3.43Å; L188-T192 PolarHBondContact O-OG1 3.43Å
189S98.7Very high98.4Very high2 Ų231.9 Ų31.91%0.01417%0.172CC..Hα-helixtrans-52.4-57.2174.968.30000112.1F132 Y138 V158 H184 C185 I187 V191 T192 M193F132-S189 VanDerWaalsContact CD1-CB 3.41Å; Y138-S189 VanDerWaalsContact OH-CA 3.23Å; Y138-S189 WeakPolarHBondContact OH-CA 3.42Å; Y138-S189 PolarHBondContact OH-N 3.11Å; V158-S189 WeakPolarHBondContact CG1-OG 3.29Å; H184-S189 PolarHBondContact O-N 3.5Å; C185-S189 WeakPolarHBondContact O-CB 3.36Å; C185-S189 PolarHBondContact O-OG 3.18Å; I187-S189 VanDerWaalsContact C-N 3.27Å; I187-S189 PolarHBondContact O-N 3.25Å; S189-V191 PolarHBondContact O-N 2.93Å; S189-T192 PolarHBondContact O-N 3.45Å; S189-M193 WeakPolarHBondContact O-CB 3.41Å; S189-M193 WeakPolarHBondContact O-CG 3.09Å; S189-M193 PolarHBondContact O-N 3.42Å
190A98.7Very high98.5Very high5 Ų532 Ų324%0.04117%0.171CC..Hα-helixtrans-66.2-39.2-175.800000112N156 I187 L188 T194 I236N156-A190 HydrophobicContact CB-CB 3.95Å; N156-A190 PolarHBondContact ND2-O 3.34Å; I187-A190 PolarHBondContact O-N 2.9Å; L188-A190 PolarHBondContact O-N 2.85Å; A190-T194 WeakPolarHBondContact O-CB 3.1Å; A190-T194 PolarHBondContact O-N 3.03Å; A190-T194 PolarHBondContact O-OG1 2.89Å; A190-I236 HydrophobicContact CB-CD1 3.58Å
191V98.8Very high98.5Very high51 Ų5126.7 Ų26.731%0.30915%0.151SC..Hα-helixtrans-67.7-48.4178.8176.10000110.7I187 L188 S189 T194 S195 F239I187-V191 HydrophobicContact CG2-CG2 4.31Å; I187-V191 WeakPolarHBondContact O-CG2 3.36Å; I187-V191 PolarHBondContact O-N 3.41Å; I187-V191 VanDerWaalsContact O-N 3.11Å; L188-V191 PolarHBondContact O-N 3.18Å; S189-V191 PolarHBondContact O-N 2.93Å; V191-T194 WeakPolarHBondContact O-CB 3.06Å; V191-T194 PolarHBondContact O-N 3.49Å; V191-S195 PolarHBondContact O-N 3.36Å; V191-F239 HydrophobicContact CB-CE2 4.42Å; V191-F239 HydrophobicContact CB-CZ 4.31Å; V191-F239 HydrophobicContact CG1-CE2 4.08Å; V191-F239 HydrophobicContact CG1-CZ 4.26Å; V191-F239 HydrophobicContact CG2-CD1 4.27Å; V191-F239 HydrophobicContact CG2-CD2 3.99Å; V191-F239 HydrophobicContact CG2-CE1 4.24Å; V191-F239 HydrophobicContact CG2-CE2 3.96Å; V191-F239 HydrophobicContact CG2-CG 4.14Å; V191-F239 HydrophobicContact CG2-CZ 4.09Å
192T98.7Very high98.5Very high20 Ų2027.7 Ų27.712%0.12316%0.156CC..Hα-helixtrans-69.3-42.9-178.6-55.60000111.7Y138 L188 S189 T194 S195 I196Y138-T192 HydrophobicContact CD1-CG2 3.36Å; Y138-T192 HydrophobicContact CD2-CG2 3.87Å; Y138-T192 HydrophobicContact CE1-CG2 3.48Å; Y138-T192 VanDerWaalsContact CE1-CG2 3.48Å; Y138-T192 HydrophobicContact CE2-CG2 3.99Å; Y138-T192 HydrophobicContact CG-CG2 3.57Å; L188-T192 WeakPolarHBondContact CD1-OG1 3.46Å; L188-T192 WeakPolarHBondContact O-CB 3.4Å; L188-T192 PolarHBondContact O-N 3.43Å; L188-T192 PolarHBondContact O-OG1 3.43Å; S189-T192 PolarHBondContact O-N 3.45Å; T192-T194 VanDerWaalsContact C-N 3.3Å; T192-T194 PolarHBondContact O-N 3.25Å; T192-S195 CarbonylContact O-C 3.32Å; T192-S195 WeakPolarHBondContact O-CA 3.36Å; T192-S195 WeakPolarHBondContact O-CB 3.42Å; T192-S195 PolarHBondContact O-N 3.11Å; T192-S195 VanDerWaalsContact O-N 3.1Å; T192-I196 HydrophobicContact CG2-CD1 3.99Å; T192-I196 HydrophobicContact CG2-CG1 4.45Å; T192-I196 VanDerWaalsContact O-CG1 3.26Å; T192-I196 WeakPolarHBondContact O-CG1 3.38Å; T192-I196 PolarHBondContact O-N 3.08Å
193M98.9Very high98.4Very high0 Ų033.2 Ų33.20%019%0.19CC..Hα-helixtrans-61-40174.5-70.7-59-61.900111.8V77 T79 I103 F132 I141 L154 N156 S189 I196 I197V77-M193 HydrophobicContact CG1-CE 4.11Å; T79-M193 HydrophobicContact CG2-CE 4.06Å; T79-M193 HydrophobicContact CG2-CG 4.15Å; I103-M193 HydrophobicContact CD1-CE 3.82Å; F132-M193 HydrophobicContact CE1-CG 3.94Å; F132-M193 HydrophobicContact CE1-SD 4.02Å; F132-M193 HydrophobicContact CZ-CG 4.28Å; F132-M193 HydrophobicContact CZ-SD 4.17Å; I141-M193 HydrophobicContact CD1-SD 4.01Å; I141-M193 HydrophobicContact CG2-CE 3.84Å; I141-M193 HydrophobicContact CG2-SD 3.7Å; L154-M193 HydrophobicContact CD1-CE 4.39Å; L154-M193 HydrophobicContact CD2-CB 4.15Å; N156-M193 VanDerWaalsContact OD1-CB 3.28Å; N156-M193 WeakPolarHBondContact OD1-CB 3.39Å; S189-M193 WeakPolarHBondContact O-CB 3.41Å; S189-M193 WeakPolarHBondContact O-CG 3.09Å; S189-M193 PolarHBondContact O-N 3.42Å; M193-I196 PolarHBondContact O-N 3.26Å; M193-I196 HydrophobicContact SD-CD1 4.31Å; M193-I197 HydrophobicContact CE-CD1 3.82Å; M193-I197 WeakPolarHBondContact O-CB 3.29Å; M193-I197 PolarHBondContact O-N 3.17Å
194T98.8Very high98.4Very high5 Ų531 Ų313%0.03118%0.178CC..Hα-helixtrans-60.9-46172-62.30000110.8N156 A190 V191 T192 I196 I197 L198 I211 F239N156-T194 PolarHBondContact ND2-OG1 3.46Å; A190-T194 WeakPolarHBondContact O-CB 3.1Å; A190-T194 PolarHBondContact O-N 3.03Å; A190-T194 PolarHBondContact O-OG1 2.89Å; V191-T194 WeakPolarHBondContact O-CB 3.06Å; V191-T194 PolarHBondContact O-N 3.49Å; T192-T194 VanDerWaalsContact C-N 3.3Å; T192-T194 PolarHBondContact O-N 3.25Å; T194-I196 VanDerWaalsContact C-N 3.29Å; T194-I196 PolarHBondContact O-N 2.68Å; T194-I197 PolarHBondContact O-N 3.11Å; T194-L198 HydrophobicContact CG2-CB 4.34Å; T194-L198 HydrophobicContact CG2-CD2 4.32Å; T194-L198 WeakPolarHBondContact O-CB 3.31Å; T194-L198 PolarHBondContact O-N 2.88Å; T194-I211 HydrophobicContact CG2-CD1 3.69Å; T194-F239 HydrophobicContact CG2-CE1 4.08Å; T194-F239 HydrophobicContact CG2-CZ 3.85Å
195S98.5Very high98.3Very high71 Ų7138.8 Ų38.850%0.49721%0.211SC..Hα-helixtrans-62.3-33177171.20000113.5V191 T192 P199V191-S195 PolarHBondContact O-N 3.36Å; T192-S195 CarbonylContact O-C 3.32Å; T192-S195 WeakPolarHBondContact O-CA 3.36Å; T192-S195 WeakPolarHBondContact O-CB 3.42Å; T192-S195 PolarHBondContact O-N 3.11Å; T192-S195 VanDerWaalsContact O-N 3.1Å; S195-P199 WeakPolarHBondContact O-CD 3.33Å; S195-P199 WeakPolarHBondContact O-CG 3.23Å
196I98.6Very high98.3Very high16 Ų1640.9 Ų40.98%0.08222%0.22CC..Hα-helixtrans-71.9-46.9176.8-67.9165.1000110.8Y138 I141 R142 V145 T192 M193 T194Y138-I196 HydrophobicContact CD1-CD1 3.96Å; I141-I196 HydrophobicContact CG2-CD1 4.41Å; R142-I196 HydrophobicContact CG-CD1 3.74Å; R142-I196 HydrophobicContact CG-CG1 3.83Å; R142-I196 HydrophobicContact CG-CG2 4.18Å; V145-I196 HydrophobicContact CB-CG2 4.23Å; V145-I196 HydrophobicContact CG1-CG2 4.04Å; V145-I196 HydrophobicContact CG2-CG2 4.42Å; T192-I196 HydrophobicContact CG2-CD1 3.99Å; T192-I196 HydrophobicContact CG2-CG1 4.45Å; T192-I196 VanDerWaalsContact O-CG1 3.26Å; T192-I196 WeakPolarHBondContact O-CG1 3.38Å; T192-I196 PolarHBondContact O-N 3.08Å; M193-I196 PolarHBondContact O-N 3.26Å; M193-I196 HydrophobicContact SD-CD1 4.31Å; T194-I196 VanDerWaalsContact C-N 3.29Å; T194-I196 PolarHBondContact O-N 2.68Å
197I98.8Very high98.1Very high0 Ų044.2 Ų44.20%024%0.242CC..Hα-helixtrans-92.1-36.1-166.6-73.1166000113.1V77 V145 I151 L154 M193 T194 K200 M201V77-I197 HydrophobicContact CB-CD1 3.93Å; V77-I197 HydrophobicContact CG1-CD1 3.96Å; V77-I197 HydrophobicContact CG2-CD1 3.95Å; V145-I197 HydrophobicContact CG1-CD1 4.5Å; V145-I197 HydrophobicContact CG1-CG1 3.77Å; V145-I197 HydrophobicContact CG2-CD1 4.46Å; V145-I197 HydrophobicContact CG2-CG1 4.48Å; I151-I197 HydrophobicContact CD1-CG1 4.16Å; I151-I197 HydrophobicContact CD1-CG2 3.99Å; I151-I197 HydrophobicContact CG2-CG2 4.08Å; L154-I197 HydrophobicContact CB-CD1 4.23Å; L154-I197 HydrophobicContact CB-CG2 4.19Å; L154-I197 HydrophobicContact CD1-CD1 3.67Å; L154-I197 HydrophobicContact CD2-CB 4.19Å; L154-I197 HydrophobicContact CD2-CD1 3.85Å; L154-I197 HydrophobicContact CD2-CG2 4.44Å; L154-I197 HydrophobicContact CG-CD1 4.11Å; M193-I197 HydrophobicContact CE-CD1 3.82Å; M193-I197 WeakPolarHBondContact O-CB 3.29Å; M193-I197 PolarHBondContact O-N 3.17Å; T194-I197 PolarHBondContact O-N 3.11Å; I197-K200 WeakPolarHBondContact O-CB 3.45Å; I197-K200 PolarHBondContact O-N 3.4Å; I197-K200 VanDerWaalsContact O-N 3.09Å; I197-M201 HydrophobicContact CG2-CE 3.63Å; I197-M201 HydrophobicContact CG2-CG 3.94Å; I197-M201 HydrophobicContact CG2-SD 3.9Å; I197-M201 PolarHBondContact O-N 3.09Å
198L98.6Very high97.9Very high17 Ų1744.4 Ų44.49%0.08924%0.243CC..Hα-helixtrans-56.8-42.7-176-179.261.1000113T194 K200 M201 L202 I211 V243 V252T194-L198 HydrophobicContact CG2-CB 4.34Å; T194-L198 HydrophobicContact CG2-CD2 4.32Å; T194-L198 WeakPolarHBondContact O-CB 3.31Å; T194-L198 PolarHBondContact O-N 2.88Å; L198-K200 VanDerWaalsContact C-N 3.29Å; L198-K200 PolarHBondContact O-N 3.46Å; L198-M201 WeakPolarHBondContact O-CB 3.25Å; L198-M201 PolarHBondContact O-N 3.5Å; L198-L202 HydrophobicContact CD1-CD1 4.22Å; L198-L202 HydrophobicContact CD1-CD2 4.46Å; L198-L202 HydrophobicContact CD1-CG 4.04Å; L198-L202 HydrophobicContact CG-CD1 4Å; L198-L202 HydrophobicContact CG-CG 4.28Å; L198-L202 VanDerWaalsContact O-CG 3.28Å; L198-L202 WeakPolarHBondContact O-CG 3.45Å; L198-L202 PolarHBondContact O-N 3.28Å; L198-I211 HydrophobicContact CB-CD1 4.19Å; L198-I211 HydrophobicContact CD1-CD1 4.25Å; L198-V243 HydrophobicContact CD2-CG1 4.11Å; L198-V252 HydrophobicContact CD1-CG1 3.97Å; L198-V252 HydrophobicContact CD1-CG2 4.43Å
199P97.6Very high97.8Very high71 Ų7141.5 Ų41.546%0.46123%0.228SC..Hα-helixtrans-56-42.2175.7-26.736.3000113.1S195 L202 T203S195-P199 WeakPolarHBondContact O-CD 3.33Å; S195-P199 WeakPolarHBondContact O-CG 3.23Å; P199-L202 PolarHBondContact O-N 3.33Å; P199-T203 WeakPolarHBondContact O-CG2 3.41Å; P199-T203 PolarHBondContact O-N 3.5Å; P199-T203 VanDerWaalsContact O-N 3.1Å; P199-T203 PolarHBondContact O-OG1 2.91Å; P199-T203 VanDerWaalsContact O-OG1 3.08Å
200K97.7Very high97.8Very high47 Ų4741.4 Ų41.420%0.20423%0.228CC..Hα-helixtrans-67.3-42.7177.8-171.1175.2176.178.10112L148 S149 I151 I197 L198 L202 T203 Q204L148-K200 WeakPolarHBondContact O-CE 3.37Å; L148-K200 PolarHBondContact O-NZ 3.25Å; S149-K200 WeakPolarHBondContact O-CE 3.47Å; S149-K200 PolarHBondContact O-NZ 2.92Å; S149-K200 VanDerWaalsContact O-NZ 3.1Å; I151-K200 HydrophobicContact CD1-CD 3.88Å; I151-K200 HydrophobicContact CG1-CD 4.27Å; I197-K200 WeakPolarHBondContact O-CB 3.45Å; I197-K200 PolarHBondContact O-N 3.4Å; I197-K200 VanDerWaalsContact O-N 3.09Å; L198-K200 VanDerWaalsContact C-N 3.29Å; L198-K200 PolarHBondContact O-N 3.46Å; K200-L202 PolarHBondContact O-N 2.82Å; K200-T203 PolarHBondContact O-N 3.46Å; K200-T203 PolarHBondContact O-OG1 3.42Å; K200-Q204 WeakPolarHBondContact O-CB 3.24Å; K200-Q204 PolarHBondContact O-N 3.21Å; K200-Q204 PolarHBondContact O-OE1 3.26Å
201M98.3Very high97.8Very high0 Ų041.1 Ų41.10%023%0.226CC..Hα-helixtrans-57.7-38.1172.8-75.3-177.4168.200112.1I151 L154 I197 L198 P209 G210 I211 K250I151-M201 HydrophobicContact CB-CE 4.33Å; I151-M201 HydrophobicContact CB-CG 4.47Å; I151-M201 HydrophobicContact CG2-CE 3.64Å; L154-M201 HydrophobicContact CB-CE 4.1Å; I197-M201 HydrophobicContact CG2-CE 3.63Å; I197-M201 HydrophobicContact CG2-CG 3.94Å; I197-M201 HydrophobicContact CG2-SD 3.9Å; I197-M201 PolarHBondContact O-N 3.09Å; L198-M201 WeakPolarHBondContact O-CB 3.25Å; L198-M201 PolarHBondContact O-N 3.5Å; M201-P209 HydrophobicContact CB-CB 3.97Å; M201-P209 HydrophobicContact CB-CG 3.67Å; M201-P209 HydrophobicContact CE-CB 4.33Å; M201-P209 HydrophobicContact CG-CB 3.78Å; M201-P209 HydrophobicContact CG-CG 4.07Å; M201-P209 HydrophobicContact SD-CB 3.97Å; M201-P209 HydrophobicContact SD-CG 4.47Å; M201-G210 WeakPolarHBondContact CE-O 3.34Å; M201-I211 HydrophobicContact CE-CG1 4.34Å; M201-I211 HydrophobicContact SD-CD1 4.34Å; M201-I211 HydrophobicContact SD-CG1 3.89Å; M201-K250 WeakPolarHBondContact O-CD 3.15Å; M201-K250 WeakPolarHBondContact O-CE 3.46Å; M201-K250 PolarHBondContact O-NZ 3.29Å
202L97.9Very high97.8Very high50 Ų5038.7 Ų38.726%0.26221%0.211SC..Hα-helixtrans-72.7-32.1179.4-69.6174.8000113L198 P199 K200 Y248 K250 V252L198-L202 HydrophobicContact CD1-CD1 4.22Å; L198-L202 HydrophobicContact CD1-CD2 4.46Å; L198-L202 HydrophobicContact CD1-CG 4.04Å; L198-L202 HydrophobicContact CG-CD1 4Å; L198-L202 HydrophobicContact CG-CG 4.28Å; L198-L202 VanDerWaalsContact O-CG 3.28Å; L198-L202 WeakPolarHBondContact O-CG 3.45Å; L198-L202 PolarHBondContact O-N 3.28Å; P199-L202 PolarHBondContact O-N 3.33Å; K200-L202 PolarHBondContact O-N 2.82Å; L202-Y248 HydrophobicContact CD1-CD1 3.78Å; L202-Y248 HydrophobicContact CD1-CE1 4.08Å; L202-Y248 HydrophobicContact CD1-CG 4.27Å; L202-Y248 HydrophobicContact CD2-CD1 4.09Å; L202-Y248 HydrophobicContact CD2-CD2 4.22Å; L202-Y248 HydrophobicContact CD2-CG 3.72Å; L202-K250 HydrophobicContact CD2-CB 4.32Å; L202-K250 WeakPolarHBondContact O-CE 3.34Å; L202-V252 HydrophobicContact CD2-CG2 3.53Å; L202-V252 HydrophobicContact CG-CG2 4.49Å
203T96.8Very high97.8Very high116 Ų11637.8 Ų37.871%0.71221%0.205SC*.Hα-helixtrans-96.4-20.2-17557.10000115.1P199 K200P199-T203 WeakPolarHBondContact O-CG2 3.41Å; P199-T203 PolarHBondContact O-N 3.5Å; P199-T203 VanDerWaalsContact O-N 3.1Å; P199-T203 PolarHBondContact O-OG1 2.91Å; P199-T203 VanDerWaalsContact O-OG1 3.08Å; K200-T203 PolarHBondContact O-N 3.46Å; K200-T203 PolarHBondContact O-OG1 3.42Å
204Q97.3Very high97.8Very high21 Ų2138.2 Ų38.210%0.09821%0.207CC..SBendtrans-62.1169176.273.1-168.64700112.1A72 T150 I151 K200 E206 K250A72-Q204 PolarHBondContact O-NE2 3.49Å; T150-Q204 HydrophobicContact CG2-CB 4.07Å; I151-Q204 PolarHBondContact O-NE2 2.69Å; I151-Q204 PolarHBondContact O-OE1 2.64Å; K200-Q204 WeakPolarHBondContact O-CB 3.24Å; K200-Q204 PolarHBondContact O-N 3.21Å; K200-Q204 PolarHBondContact O-OE1 3.26Å; Q204-E206 WeakPolarHBondContact CB-OE2 3.36Å; Q204-E206 HydrophobicContact CG-CB 4.49Å; Q204-K250 PolarHBondContact O-NZ 3.1Å
205K97.5Very high97.8Very high204 Ų20438.1 Ų38.189%0.88721%0.207SC*.SBendtrans-85.4-28.2-177.4-69.9-178.9179.7176.40112.7
206E97.5Very high97.8Very high53 Ų5335.4 Ų35.425%0.24819%0.188CC..SBendtrans-65.6142.7-173.8-65.174.9-169.600111.1A72 T150 Q204 K250A72-E206 VanDerWaalsContact C-CB 3.48Å; A72-E206 VanDerWaalsContact O-CB 3.31Å; A72-E206 WeakPolarHBondContact O-CB 3.47Å; T150-E206 WeakPolarHBondContact CG2-OE1 3.5Å; T150-E206 WeakPolarHBondContact CG2-OE2 3.43Å; Q204-E206 WeakPolarHBondContact CB-OE2 3.36Å; Q204-E206 HydrophobicContact CG-CB 4.49Å; E206-K250 PolarHBondContact O-NZ 3.13Å; E206-K250 VanDerWaalsContact O-NZ 3.07Å
207P95.1Very high97.8Very high72 Ų7235.2 Ų35.247%0.46819%0.187SC..SBendtrans-85.5152.6-176.434.3-37.1000112.8K71 A72 P209K71-P207 WeakPolarHBondContact O-CD 3.32Å; A72-P207 VanDerWaalsContact CA-O 3.28Å; A72-P207 WeakPolarHBondContact CA-O 3.18Å; A72-P207 WeakPolarHBondContact CB-O 3.5Å; P207-P209 VanDerWaalsContact C-CD 3.49Å
208N93.9Very high97.7Very high50 Ų5035.6 Ų35.627%0.26719%0.189SC..  trans55.344.6166.5-50.2-52.3000116.8N251N208-N251 VanDerWaalsContact CA-O 3.32Å; N208-N251 WeakPolarHBondContact CA-O 3.42Å; N208-N251 WeakPolarHBondContact OD1-CB 3.27Å; N208-N251 PolarHBondContact OD1-ND2 3.24Å
209P98Very high97.7Very high0 Ų035.4 Ų35.40%019%0.192CC..  trans-64.3168.7168.432.9-36.3000110.5I151 A152 M201 P207 K250 V252 I253I151-P209 WeakPolarHBondContact O-CB 3.34Å; A152-P209 CarbonylContact O-C 3.5Å; A152-P209 VanDerWaalsContact O-CA 3.29Å; A152-P209 WeakPolarHBondContact O-CA 3.47Å; M201-P209 HydrophobicContact CB-CB 3.97Å; M201-P209 HydrophobicContact CB-CG 3.67Å; M201-P209 HydrophobicContact CE-CB 4.33Å; M201-P209 HydrophobicContact CG-CB 3.78Å; M201-P209 HydrophobicContact CG-CG 4.07Å; M201-P209 HydrophobicContact SD-CB 3.97Å; M201-P209 HydrophobicContact SD-CG 4.47Å; P207-P209 VanDerWaalsContact C-CD 3.49Å; P209-K250 HydrophobicContact CG-CD 4.17Å; P209-V252 HydrophobicContact CG-CG2 4.22Å; P209-V252 WeakPolarHBondContact O-CA 3.37Å; P209-V252 WeakPolarHBondContact O-CG1 3.43Å; P209-I253 PolarHBondContact O-N 3.02Å
210G98.3Very high97.7Very high0 Ų035.5 Ų35.50%019%0.188CC..EExtended strand (participates in β ladder)trans-162165.8175.700000117.5A152 C153 L154 M201 I253 Y290A152-G210 PolarHBondContact O-N 3.29Å; C153-G210 CarbonylContact C-O 3.58Å; C153-G210 WeakPolarHBondContact CA-O 3.5Å; L154-G210 PolarHBondContact N-O 3.31Å; M201-G210 WeakPolarHBondContact CE-O 3.34Å; G210-I253 CarbonylContact C-O 3.5Å; G210-I253 WeakPolarHBondContact CA-O 3.44Å; G210-Y290 VanDerWaalsContact CA-OH 3.24Å; G210-Y290 WeakPolarHBondContact CA-OH 3.43Å; G210-Y290 PolarHBondContact N-OH 3.02Å; G210-Y290 VanDerWaalsContact N-OH 3.14Å
211I98.9Very high97.5Very high0 Ų037.3 Ų37.30%020%0.196CC..EExtended strand (participates in β ladder)trans-119.2123.8-176.3-54.9-176.8000108.2L154 T194 L198 M201 N213 I253 I254 Q255L154-I211 HydrophobicContact CB-CG1 4.25Å; L154-I211 HydrophobicContact CB-CG2 4.37Å; L154-I211 HydrophobicContact CD2-CD1 4.37Å; L154-I211 HydrophobicContact CD2-CG1 4.47Å; L154-I211 HydrophobicContact CD2-CG2 4.05Å; L154-I211 HydrophobicContact CG-CG2 4.22Å; L154-I211 CarbonylContact O-C 3.48Å; L154-I211 WeakPolarHBondContact O-CA 3.35Å; T194-I211 HydrophobicContact CG2-CD1 3.69Å; L198-I211 HydrophobicContact CB-CD1 4.19Å; L198-I211 HydrophobicContact CD1-CD1 4.25Å; M201-I211 HydrophobicContact CE-CG1 4.34Å; M201-I211 HydrophobicContact SD-CD1 4.34Å; M201-I211 HydrophobicContact SD-CG1 3.89Å; I211-N213 WeakPolarHBondContact CG2-OD1 3.05Å; I211-I253 PolarHBondContact N-O 3.45Å; I211-I254 HydrophobicContact CB-CD1 3.77Å; I211-I254 HydrophobicContact CD1-CD1 3.85Å; I211-I254 HydrophobicContact CG1-CD1 3.84Å; I211-Q255 PolarHBondContact O-N 2.97Å
212I98.9Very high97.4Very high0 Ų041.4 Ų41.40%022%0.22CC..EExtended strand (participates in β ladder)trans-106.7112.1174.5-55.4177000107.5Y89 L154 V155 N156 I214 I257 L287 Y290Y89-I212 HydrophobicContact CE1-CD1 3.96Å; L154-I212 PolarHBondContact O-N 3.11Å; V155-I212 CarbonylContact C-O 3.52Å; V155-I212 WeakPolarHBondContact CA-O 3.36Å; V155-I212 HydrophobicContact CG2-CB 4.37Å; V155-I212 HydrophobicContact CG2-CD1 4.34Å; N156-I212 PolarHBondContact N-O 2.82Å; I212-I214 HydrophobicContact CG2-CD1 3.8Å; I212-I257 HydrophobicContact CG2-CG1 3.68Å; I212-L287 HydrophobicContact CD1-CD1 3.99Å; I212-Y290 HydrophobicContact CD1-CD2 3.67Å; I212-Y290 HydrophobicContact CD1-CE2 4.1Å; I212-Y290 HydrophobicContact CG1-CD2 3.87Å; I212-Y290 HydrophobicContact CG1-CE2 3.98Å
213N98.9Very high97.2Very high1 Ų140.7 Ų40.71%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-98.7115.6176.7-68.4-31.7000109.7N156 I211 A215 I236 S240 Q255 A256 I257N156-N213 VanDerWaalsContact CB-OD1 3.29Å; N156-N213 WeakPolarHBondContact CB-OD1 3.49Å; N156-N213 PolarHBondContact ND2-OD1 3.48Å; I211-N213 WeakPolarHBondContact CG2-OD1 3.05Å; N213-A215 PolarHBondContact O-N 3.27Å; N213-I236 HydrophobicContact CB-CG2 3.74Å; N213-S240 WeakPolarHBondContact CB-OG 3.45Å; N213-S240 PolarHBondContact ND2-OG 3.46Å; N213-Q255 PolarHBondContact N-O 3.35Å; N213-A256 WeakPolarHBondContact O-CA 3.35Å; N213-I257 PolarHBondContact O-N 2.9Å
214I98.8Very high97Very high8 Ų836.3 Ų36.34%0.04119%0.189CC..EExtended strand (participates in β ladder)trans-8397.3177.1-49.5-54.8000109.2Y89 V155 N156 N157 I212 K233 I257 P259Y89-I214 HydrophobicContact CD2-CD1 4.47Å; Y89-I214 HydrophobicContact CE2-CD1 3.69Å; V155-I214 HydrophobicContact CG1-CD1 4.38Å; V155-I214 HydrophobicContact CG1-CG1 4.21Å; N156-I214 PolarHBondContact O-N 2.92Å; N157-I214 HydrophobicContact CB-CB 4.35Å; N157-I214 HydrophobicContact CB-CG1 3.71Å; I212-I214 HydrophobicContact CG2-CD1 3.8Å; I214-K233 PolarHBondContact O-NZ 3.27Å; I214-I257 HydrophobicContact CD1-CB 3.95Å; I214-I257 HydrophobicContact CD1-CG1 4.27Å; I214-I257 HydrophobicContact CD1-CG2 4.4Å; I214-P259 HydrophobicContact CG2-CG 3.97Å
215A98.6Very high96.8Very high3 Ų337.2 Ų37.23%0.02519%0.192CC..  trans-84.2-138.217300000110.7N213 I236 I237 I257N213-A215 PolarHBondContact O-N 3.27Å; A215-I236 HydrophobicContact CB-CG2 4.18Å; A215-I237 HydrophobicContact CB-CD1 4.05Å; A215-I237 HydrophobicContact CB-CG1 3.52Å; A215-I257 CarbonylContact C-O 3.58Å; A215-I257 WeakPolarHBondContact CA-O 3.44Å; A215-I257 WeakPolarHBondContact CB-O 3.34Å; A215-I257 PolarHBondContact N-O 3.22Å
216S98.5Very high96.6Very high15 Ų1528.1 Ų28.111%0.10516%0.155CC..  trans-162.6152.3173.8-179.10000109.6S218 G219S216-S218 WeakPolarHBondContact CB-OG 3.34Å; S216-S218 PolarHBondContact O-N 3.28Å; S216-S218 PolarHBondContact OG-N 2.97Å; S216-S218 VanDerWaalsContact OG-N 3.14Å; S216-S218 PolarHBondContact OG-OG 3.02Å; S216-G219 PolarHBondContact O-N 3.39Å
217Y98Very high96.4Very high12 Ų1228 Ų285%0.04716%0.159CC..G310 helixtrans-56.7-26.6166.2179.6-105.2000112.1G219 L220 K221 F223 P259 L260 A306 Y309 F317Y217-G219 PolarHBondContact O-N 3.05Å; Y217-L220 HydrophobicContact CD2-CD1 4.31Å; Y217-L220 PolarHBondContact O-N 3.21Å; Y217-K221 HydrophobicContact CE1-CG 3.98Å; Y217-K221 HydrophobicContact CE2-CG 4.15Å; Y217-K221 WeakPolarHBondContact OH-CE 3.34Å; Y217-F223 AromaticContact CD1-CE2 4Å; Y217-F223 HydrophobicContact CD1-CE2 4Å; Y217-F223 AromaticContact CD1-CZ 3.92Å; Y217-F223 HydrophobicContact CD1-CZ 3.92Å; Y217-F223 HydrophobicContact CE1-CE2 4.14Å; Y217-F223 HydrophobicContact CE1-CZ 4.17Å; Y217-P259 WeakPolarHBondContact CB-O 3.48Å; Y217-P259 PolarHBondContact N-O 3.31Å; Y217-L260 HydrophobicContact CD1-CD1 4.28Å; Y217-L260 HydrophobicContact CD1-CD2 4.44Å; Y217-L260 HydrophobicContact CD1-CG 4.06Å; Y217-L260 HydrophobicContact CD2-CD1 3.91Å; Y217-L260 HydrophobicContact CG-CD1 3.65Å; Y217-L260 HydrophobicContact CG-CG 3.89Å; Y217-A306 HydrophobicContact CD2-CB 3.91Å; Y217-A306 HydrophobicContact CE2-CB 3.52Å; Y217-Y309 AromaticContact CE1-CD2 3.97Å; Y217-Y309 HydrophobicContact CE1-CD2 3.97Å; Y217-Y309 WeakPolarHBondContact OH-CB 3.3Å; Y217-F317 HydrophobicContact CE1-CE2 4.25Å; Y217-F317 HydrophobicContact CE1-CZ 4.1Å
218S96.9Very high96.5Very high7 Ų726 Ų265%0.04915%0.145CC..G310 helixtrans-63.6-25.517366.80000113.4S216 L220 K221 F223 Y229 A230S216-S218 WeakPolarHBondContact CB-OG 3.34Å; S216-S218 PolarHBondContact O-N 3.28Å; S216-S218 PolarHBondContact OG-N 2.97Å; S216-S218 VanDerWaalsContact OG-N 3.14Å; S216-S218 PolarHBondContact OG-OG 3.02Å; S218-L220 PolarHBondContact O-N 3.43Å; S218-K221 PolarHBondContact O-N 3.14Å; S218-F223 VanDerWaalsContact CA-CD2 3.47Å; S218-F223 VanDerWaalsContact CA-CE2 3.48Å; S218-Y229 WeakPolarHBondContact OG-CD1 3.36Å; S218-Y229 VanDerWaalsContact OG-CE1 3.29Å; S218-Y229 WeakPolarHBondContact OG-CE1 3.44Å; S218-A230 WeakPolarHBondContact O-CB 3.05Å
219G97.8Very high96.7Very high14 Ų1425.9 Ų25.914%0.14414%0.141CC..G310 helixtrans-72.9-8.5173.700000114.4S216 Y217 A230 A234S216-G219 PolarHBondContact O-N 3.39Å; Y217-G219 PolarHBondContact O-N 3.05Å; G219-A230 WeakPolarHBondContact CA-O 3.43Å; G219-A234 WeakPolarHBondContact O-CB 3.48Å
220L97.2Very high96.6Very high72 Ų7226.2 Ų26.238%0.37714%0.144SC..G310 helixtrans-103.8-6.2179.5-63.5172.6000113.2Y217 S218 I237 C258Y217-L220 HydrophobicContact CD2-CD1 4.31Å; Y217-L220 PolarHBondContact O-N 3.21Å; S218-L220 PolarHBondContact O-N 3.43Å; L220-I237 HydrophobicContact CD2-CD1 3.78Å; L220-I237 HydrophobicContact CD2-CG2 4.4Å; L220-I237 HydrophobicContact CG-CD1 3.88Å; L220-C258 HydrophobicContact CD1-CB 4Å
221K95.5Very high96.7Very high86 Ų8629.8 Ų29.837%0.37417%0.168SC..SBendtrans-146165-170.7-64-66177.3-179.30111.2Y217 S218 F223 F317Y217-K221 HydrophobicContact CE1-CG 3.98Å; Y217-K221 HydrophobicContact CE2-CG 4.15Å; Y217-K221 WeakPolarHBondContact OH-CE 3.34Å; S218-K221 PolarHBondContact O-N 3.14Å; K221-F223 HydrophobicContact CB-CD2 4.03Å; K221-F223 HydrophobicContact CB-CE2 3.85Å; K221-F223 PolarHBondContact O-N 3.42Å; K221-F317 HydrophobicContact CB-CE1 3.83Å; K221-F317 HydrophobicContact CB-CZ 4.09Å; K221-F317 HydrophobicContact CG-CE1 4.33Å; K221-F317 HydrophobicContact CG-CZ 4.28Å
222V94.7Very high96.6Very high86 Ų8629.8 Ų29.852%0.52117%0.169SC..  trans-78.6117.6174.1-179.60000109.5P224 F317 I318V222-P224 WeakPolarHBondContact O-CD 3.32Å; V222-F317 WeakPolarHBondContact O-CE1 3.45Å; V222-I318 HydrophobicContact CB-CD1 4.19Å; V222-I318 HydrophobicContact CB-CG1 4.33Å; V222-I318 HydrophobicContact CG1-CD1 4Å; V222-I318 HydrophobicContact CG1-CG1 4.28Å
223F94.1Very high96.6Very high34 Ų3430.2 Ų30.215%0.14917%0.17CC..  trans-118.592.6178-90.1-102.4000110.7Y217 S218 K221 A226 S227 A230 F317 I321Y217-F223 AromaticContact CD1-CE2 4Å; Y217-F223 HydrophobicContact CD1-CE2 4Å; Y217-F223 AromaticContact CD1-CZ 3.92Å; Y217-F223 HydrophobicContact CD1-CZ 3.92Å; Y217-F223 HydrophobicContact CE1-CE2 4.14Å; Y217-F223 HydrophobicContact CE1-CZ 4.17Å; S218-F223 VanDerWaalsContact CA-CD2 3.47Å; S218-F223 VanDerWaalsContact CA-CE2 3.48Å; K221-F223 HydrophobicContact CB-CD2 4.03Å; K221-F223 HydrophobicContact CB-CE2 3.85Å; K221-F223 PolarHBondContact O-N 3.42Å; F223-A226 CarbonylContact O-C 3.43Å; F223-A226 PolarHBondContact O-N 2.93Å; F223-S227 PolarHBondContact O-N 3.19Å; F223-A230 HydrophobicContact CB-CB 4.05Å; F223-F317 HydrophobicContact CD2-CE1 4.46Å; F223-F317 HydrophobicContact CD2-CZ 4.47Å; F223-F317 HydrophobicContact CE2-CE1 4.16Å; F223-F317 AromaticContact CE2-CZ 3.74Å; F223-F317 HydrophobicContact CE2-CZ 3.74Å; F223-F317 AromaticContact CZ-CZ 3.91Å; F223-F317 HydrophobicContact CZ-CZ 3.91Å; F223-I321 HydrophobicContact CD1-CD1 4.33Å; F223-I321 HydrophobicContact CD1-CG1 4.45Å; F223-I321 HydrophobicContact CD1-CG2 3.81Å; F223-I321 HydrophobicContact CE1-CD1 3.71Å; F223-I321 HydrophobicContact CE1-CG1 4.25Å; F223-I321 HydrophobicContact CE1-CG2 4.26Å; F223-I321 HydrophobicContact CG-CG2 4.42Å; F223-I321 HydrophobicContact CZ-CD1 4.05Å
224P92.7Very high96.6Very high25 Ų2532 Ų3216%0.16219%0.185CC..THydrogen-bonded Turntrans-56.5150.7173-21.231.8000111.6V222 A226 I318 R322V222-P224 WeakPolarHBondContact O-CD 3.32Å; P224-A226 PolarHBondContact O-N 2.84Å; P224-I318 HydrophobicContact CG-CG2 3.95Å; P224-R322 HydrophobicContact CB-CG 4.08Å; P224-R322 HydrophobicContact CG-CG 4.02Å
225Y92.5Very high96.6Very high40 Ų4033.4 Ų33.416%0.15720%0.198CC..THydrogen-bonded Turntrans66.7-11.5-177-44.2-75.5000115.6F164 E165 L166 R322 A325F164-Y225 CarbonylContact C-O 3.5Å; F164-Y225 VanDerWaalsContact CA-O 3.3Å; F164-Y225 WeakPolarHBondContact CA-O 3.32Å; E165-Y225 PolarHBondContact N-O 3.4Å; E165-Y225 WeakPolarHBondContact O-CA 3.26Å; L166-Y225 HydrophobicContact CD2-CD1 3.96Å; L166-Y225 HydrophobicContact CD2-CE1 3.47Å; L166-Y225 VanDerWaalsContact CD2-CE1 3.47Å; L166-Y225 HydrophobicContact CG-CD1 4.22Å; L166-Y225 HydrophobicContact CG-CE1 3.87Å; Y225-R322 HydrophobicContact CE2-CB 4Å; Y225-R322 HydrophobicContact CE2-CG 3.77Å; Y225-A325 HydrophobicContact CD2-CB 3.38Å; Y225-A325 HydrophobicContact CE2-CB 4.03Å; Y225-A325 HydrophobicContact CG-CB 4.06Å
226A94Very high96.6Very high13 Ų1333.4 Ų33.411%0.10720%0.198CC..  trans-123.635.6171.100000110.6F164 F223 P224 L228 Y229 A230F164-A226 HydrophobicContact CD1-CB 3.95Å; F164-A226 HydrophobicContact CE1-CB 3.63Å; F164-A226 HydrophobicContact CZ-CB 4.4Å; F223-A226 CarbonylContact O-C 3.43Å; F223-A226 PolarHBondContact O-N 2.93Å; P224-A226 PolarHBondContact O-N 2.84Å; A226-L228 PolarHBondContact O-N 3.13Å; A226-Y229 PolarHBondContact O-N 3.44Å; A226-A230 VanDerWaalsContact O-CB 3.29Å; A226-A230 WeakPolarHBondContact O-CB 3.4Å; A226-A230 PolarHBondContact O-N 2.81Å
227S94.2Very high96.7Very high49 Ų4933.1 Ų33.134%0.34320%0.195SC..Hα-helixtrans-56.1-52.5-171.751.30000111.8F223 A230 S231F223-S227 PolarHBondContact O-N 3.19Å; S227-A230 PolarHBondContact O-N 3.31Å; S227-S231 WeakPolarHBondContact O-CB 3.23Å; S227-S231 PolarHBondContact O-N 3.14Å; S227-S231 PolarHBondContact O-OG 3.3Å
228L96.2Very high96.7Very high32 Ų3237.1 Ų37.117%0.16821%0.214CC..Hα-helixtrans-68-41.9-178.1-173.753.1000112L162 I179 I182 I183 A226 A230 S231 T232L162-L228 HydrophobicContact CD1-CD2 4.15Å; I179-L228 HydrophobicContact CB-CD2 4.13Å; I179-L228 HydrophobicContact CG1-CD2 3.85Å; I179-L228 HydrophobicContact CG2-CD2 4.08Å; I182-L228 HydrophobicContact CG2-CD2 3.33Å; I182-L228 HydrophobicContact CG2-CG 3.65Å; I183-L228 HydrophobicContact CG1-CD1 4.47Å; A226-L228 PolarHBondContact O-N 3.13Å; L228-A230 PolarHBondContact O-N 2.99Å; L228-S231 PolarHBondContact O-N 2.56Å; L228-T232 HydrophobicContact CD1-CG2 4.28Å; L228-T232 WeakPolarHBondContact O-CG2 3.42Å; L228-T232 PolarHBondContact O-N 3Å
229Y97.3Very high96.8Very high46 Ų4639.1 Ų39.118%0.1822%0.222CC..Hα-helixtrans-58-51174.3177.4-95.2000111.7M160 I182 S218 A226 S231 T232 K233M160-Y229 VanDerWaalsContact O-CD2 3.29Å; M160-Y229 WeakPolarHBondContact O-CD2 3.43Å; I182-Y229 HydrophobicContact CD1-CD2 4.24Å; S218-Y229 WeakPolarHBondContact OG-CD1 3.36Å; S218-Y229 VanDerWaalsContact OG-CE1 3.29Å; S218-Y229 WeakPolarHBondContact OG-CE1 3.44Å; A226-Y229 PolarHBondContact O-N 3.44Å; Y229-S231 VanDerWaalsContact C-N 3.34Å; Y229-S231 PolarHBondContact O-N 3.48Å; Y229-T232 PolarHBondContact O-N 3.21Å; Y229-T232 PolarHBondContact O-OG1 3.43Å; Y229-K233 HydrophobicContact CD1-CG 4.47Å; Y229-K233 HydrophobicContact CE1-CG 4.03Å; Y229-K233 HydrophobicContact CE2-CG 4.28Å; Y229-K233 WeakPolarHBondContact O-CG 3.4Å; Y229-K233 PolarHBondContact O-N 3.15Å
230A97.7Very high96.8Very high8 Ų838.5 Ų38.57%0.06622%0.215CC..Hα-helixtrans-57.4-45.5176.900000111.8S218 G219 F223 A226 S227 L228 T232 K233 A234S218-A230 WeakPolarHBondContact O-CB 3.05Å; G219-A230 WeakPolarHBondContact CA-O 3.43Å; F223-A230 HydrophobicContact CB-CB 4.05Å; A226-A230 VanDerWaalsContact O-CB 3.29Å; A226-A230 WeakPolarHBondContact O-CB 3.4Å; A226-A230 PolarHBondContact O-N 2.81Å; S227-A230 PolarHBondContact O-N 3.31Å; L228-A230 PolarHBondContact O-N 2.99Å; A230-T232 PolarHBondContact O-N 2.76Å; A230-K233 PolarHBondContact O-N 2.89Å; A230-A234 PolarHBondContact O-N 2.9Å
231S98.3Very high96.9Very high74 Ų7441 Ų4152%0.51722%0.22SC..Hα-helixtrans-60.9-43.7176.5-650000112.7S227 L228 Y229 K233 A234 A235S227-S231 WeakPolarHBondContact O-CB 3.23Å; S227-S231 PolarHBondContact O-N 3.14Å; S227-S231 PolarHBondContact O-OG 3.3Å; L228-S231 PolarHBondContact O-N 2.56Å; Y229-S231 VanDerWaalsContact C-N 3.34Å; Y229-S231 PolarHBondContact O-N 3.48Å; S231-K233 VanDerWaalsContact C-N 3.32Å; S231-K233 PolarHBondContact O-N 2.92Å; S231-A234 WeakPolarHBondContact O-CB 3.21Å; S231-A234 PolarHBondContact O-N 2.83Å; S231-A235 PolarHBondContact O-N 3.11Å
232T98.7Very high97Very high1 Ų140 Ų401%0.00622%0.223CC..Hα-helixtrans-62.4-40176.565.90000111.9I182 N186 I187 L228 Y229 A230 A235 I236I182-T232 HydrophobicContact CG1-CG2 4.27Å; N186-T232 HydrophobicContact CB-CG2 4.14Å; N186-T232 WeakPolarHBondContact CB-OG1 3.26Å; N186-T232 PolarHBondContact ND2-OG1 3.12Å; I187-T232 HydrophobicContact CD1-CG2 3.88Å; I187-T232 HydrophobicContact CG1-CG2 3.96Å; L228-T232 HydrophobicContact CD1-CG2 4.28Å; L228-T232 WeakPolarHBondContact O-CG2 3.42Å; L228-T232 PolarHBondContact O-N 3Å; Y229-T232 PolarHBondContact O-N 3.21Å; Y229-T232 PolarHBondContact O-OG1 3.43Å; A230-T232 PolarHBondContact O-N 2.76Å; T232-A235 WeakPolarHBondContact O-CB 3.46Å; T232-A235 PolarHBondContact O-N 2.97Å; T232-I236 PolarHBondContact O-N 3.48Å; T232-I236 VanDerWaalsContact O-N 3.15Å
233K98.7Very high97.2Very high8 Ų836.3 Ų36.34%0.03520%0.2CC..Hα-helixtrans-72.2-30.3177.4-63.7-55.8-166.7176.20112.4I214 Y229 A230 S231 I236 I237I214-K233 PolarHBondContact O-NZ 3.27Å; Y229-K233 HydrophobicContact CD1-CG 4.47Å; Y229-K233 HydrophobicContact CE1-CG 4.03Å; Y229-K233 HydrophobicContact CE2-CG 4.28Å; Y229-K233 WeakPolarHBondContact O-CG 3.4Å; Y229-K233 PolarHBondContact O-N 3.15Å; A230-K233 PolarHBondContact O-N 2.89Å; S231-K233 VanDerWaalsContact C-N 3.32Å; S231-K233 PolarHBondContact O-N 2.92Å; K233-I236 PolarHBondContact O-N 3.26Å; K233-I237 WeakPolarHBondContact O-CD1 3.46Å; K233-I237 WeakPolarHBondContact O-CG1 3.3Å; K233-I237 PolarHBondContact O-N 3.3Å; K233-I237 VanDerWaalsContact O-N 3.13Å
234A98.8Very high97.4Very high38 Ų3836.2 Ų36.231%0.31421%0.206SC..Hα-helixtrans-64.3-41.7169.300000111.8G219 A230 S231 I236 I237 Q238G219-A234 WeakPolarHBondContact O-CB 3.48Å; A230-A234 PolarHBondContact O-N 2.9Å; S231-A234 WeakPolarHBondContact O-CB 3.21Å; S231-A234 PolarHBondContact O-N 2.83Å; A234-I236 VanDerWaalsContact C-N 3.33Å; A234-I236 PolarHBondContact O-N 2.86Å; A234-I237 WeakPolarHBondContact O-CB 3.32Å; A234-I237 PolarHBondContact O-N 2.98Å; A234-Q238 PolarHBondContact O-N 3.46Å
235A98.9Very high97.6Very high38 Ų3838.8 Ų38.831%0.31423%0.23SC..Hα-helixtrans-59.4-43175.200000111.6I187 S231 T232 I237 Q238 F239I187-A235 HydrophobicContact CD1-CB 3.96Å; I187-A235 HydrophobicContact CG1-CB 4.31Å; S231-A235 PolarHBondContact O-N 3.11Å; T232-A235 WeakPolarHBondContact O-CB 3.46Å; T232-A235 PolarHBondContact O-N 2.97Å; A235-I237 PolarHBondContact O-N 3.32Å; A235-Q238 PolarHBondContact O-N 3.3Å; A235-F239 VanDerWaalsContact O-CB 3.26Å; A235-F239 WeakPolarHBondContact O-CB 3.26Å; A235-F239 PolarHBondContact O-N 2.88Å
236I98.8Very high97.8Very high4 Ų442 Ų422%0.02125%0.246CC..Hα-helixtrans-64-39176-65.1-49.7000112.7N186 A190 N213 A215 T232 K233 A234 S240N186-I236 WeakPolarHBondContact O-CD1 3.46Å; N186-I236 VanDerWaalsContact O-CG1 3.32Å; N186-I236 WeakPolarHBondContact O-CG1 3.43Å; A190-I236 HydrophobicContact CB-CD1 3.58Å; N213-I236 HydrophobicContact CB-CG2 3.74Å; A215-I236 HydrophobicContact CB-CG2 4.18Å; T232-I236 PolarHBondContact O-N 3.48Å; T232-I236 VanDerWaalsContact O-N 3.15Å; K233-I236 PolarHBondContact O-N 3.26Å; A234-I236 VanDerWaalsContact C-N 3.33Å; A234-I236 PolarHBondContact O-N 2.86Å; I236-S240 WeakPolarHBondContact O-CB 3.33Å; I236-S240 PolarHBondContact O-N 3.4Å; I236-S240 PolarHBondContact O-OG 2.88Å
237I98.9Very high97.6Very high8 Ų851.4 Ų51.44%0.04128%0.284CS..Hα-helixtrans-60.9-49.9174.9-69.8159000109.9A215 L220 K233 A234 A235 S240 R241A215-I237 HydrophobicContact CB-CD1 4.05Å; A215-I237 HydrophobicContact CB-CG1 3.52Å; L220-I237 HydrophobicContact CD2-CD1 3.78Å; L220-I237 HydrophobicContact CD2-CG2 4.4Å; L220-I237 HydrophobicContact CG-CD1 3.88Å; K233-I237 WeakPolarHBondContact O-CD1 3.46Å; K233-I237 WeakPolarHBondContact O-CG1 3.3Å; K233-I237 PolarHBondContact O-N 3.3Å; K233-I237 VanDerWaalsContact O-N 3.13Å; A234-I237 WeakPolarHBondContact O-CB 3.32Å; A234-I237 PolarHBondContact O-N 2.98Å; A235-I237 PolarHBondContact O-N 3.32Å; I237-S240 PolarHBondContact O-N 3.44Å; I237-R241 WeakPolarHBondContact O-CG 3.45Å; I237-R241 PolarHBondContact O-N 3.41Å
238Q98.8Very high97.6Very high96 Ų9652 Ų5245%0.44928%0.28SS..Hα-helixtrans-67.2-42.4-178.1-17359.620.200112A234 A235 S240 R241 C242A234-Q238 PolarHBondContact O-N 3.46Å; A235-Q238 PolarHBondContact O-N 3.3Å; Q238-S240 VanDerWaalsContact C-N 3.34Å; Q238-S240 PolarHBondContact O-N 2.91Å; Q238-R241 WeakPolarHBondContact O-CB 3.48Å; Q238-R241 PolarHBondContact O-N 3.21Å; Q238-R241 VanDerWaalsContact O-N 3.12Å; Q238-C242 PolarHBondContact O-N 3.37Å; Q238-C242 PolarHBondContact O-SG 3.22Å; Q238-C242 VanDerWaalsContact O-SG 3.32Å
239F98.8Very high97.4Very high49 Ų4961.5 Ų61.522%0.21532%0.32CS..Hα-helixtrans-55-49.6173.6174.2-107.5000111.3V191 T194 A235 R241 C242 V243V191-F239 HydrophobicContact CB-CE2 4.42Å; V191-F239 HydrophobicContact CB-CZ 4.31Å; V191-F239 HydrophobicContact CG1-CE2 4.08Å; V191-F239 HydrophobicContact CG1-CZ 4.26Å; V191-F239 HydrophobicContact CG2-CD1 4.27Å; V191-F239 HydrophobicContact CG2-CD2 3.99Å; V191-F239 HydrophobicContact CG2-CE1 4.24Å; V191-F239 HydrophobicContact CG2-CE2 3.96Å; V191-F239 HydrophobicContact CG2-CG 4.14Å; V191-F239 HydrophobicContact CG2-CZ 4.09Å; T194-F239 HydrophobicContact CG2-CE1 4.08Å; T194-F239 HydrophobicContact CG2-CZ 3.85Å; A235-F239 VanDerWaalsContact O-CB 3.26Å; A235-F239 WeakPolarHBondContact O-CB 3.26Å; A235-F239 PolarHBondContact O-N 2.88Å; F239-R241 VanDerWaalsContact C-N 3.26Å; F239-R241 PolarHBondContact O-N 2.72Å; F239-C242 PolarHBondContact O-N 3.15Å; F239-V243 HydrophobicContact CD2-CG2 4.01Å; F239-V243 HydrophobicContact CE1-CG2 4.15Å; F239-V243 HydrophobicContact CE2-CG2 3.59Å; F239-V243 HydrophobicContact CG-CG2 4.47Å; F239-V243 HydrophobicContact CZ-CG2 3.67Å; F239-V243 WeakPolarHBondContact O-CG2 3.25Å; F239-V243 PolarHBondContact O-N 2.93Å
240S98.8Very high97.3Very high1 Ų161 Ų611%0.00732%0.318CS..Hα-helixtrans-59.4-37.9177.8-53.90000112.1N213 I236 I237 Q238 A244 I254N213-S240 WeakPolarHBondContact CB-OG 3.45Å; N213-S240 PolarHBondContact ND2-OG 3.46Å; I236-S240 WeakPolarHBondContact O-CB 3.33Å; I236-S240 PolarHBondContact O-N 3.4Å; I236-S240 PolarHBondContact O-OG 2.88Å; I237-S240 PolarHBondContact O-N 3.44Å; Q238-S240 VanDerWaalsContact C-N 3.34Å; Q238-S240 PolarHBondContact O-N 2.91Å; S240-A244 WeakPolarHBondContact O-CB 3.38Å; S240-A244 PolarHBondContact O-N 3.41Å; S240-I254 WeakPolarHBondContact O-CG2 3.31Å
241R98.6Very high97.1Very high126 Ų12664.7 Ų64.748%0.47534%0.337SS..Hα-helixtrans-66.9-43.7176.8-71.6172.467.2-174.72.4112.5I237 Q238 F239 A245I237-R241 WeakPolarHBondContact O-CG 3.45Å; I237-R241 PolarHBondContact O-N 3.41Å; Q238-R241 WeakPolarHBondContact O-CB 3.48Å; Q238-R241 PolarHBondContact O-N 3.21Å; Q238-R241 VanDerWaalsContact O-N 3.12Å; F239-R241 VanDerWaalsContact C-N 3.26Å; F239-R241 PolarHBondContact O-N 2.72Å; R241-A245 PolarHBondContact O-N 3.04Å
242C98.6Very high97.1Very high63 Ų6362 Ų6243%0.42632%0.317SS..Hα-helixtrans-63.2-52.6178.3-66.20000111Q238 F239 A244 A245 E246Q238-C242 PolarHBondContact O-N 3.37Å; Q238-C242 PolarHBondContact O-SG 3.22Å; Q238-C242 VanDerWaalsContact O-SG 3.32Å; F239-C242 PolarHBondContact O-N 3.15Å; C242-A244 VanDerWaalsContact C-N 3.32Å; C242-A244 PolarHBondContact O-N 2.65Å; C242-A245 WeakPolarHBondContact O-CB 3.34Å; C242-A245 PolarHBondContact O-N 2.92Å; C242-E246 PolarHBondContact O-N 2.94Å
243V98.3Very high97Very high9 Ų962.7 Ų62.76%0.05532%0.321CS..Hα-helixtrans-62.9-38.6-178.7-178.90000111.5L198 F239 A245 E246 Y248 I254L198-V243 HydrophobicContact CD2-CG1 4.11Å; F239-V243 HydrophobicContact CD2-CG2 4.01Å; F239-V243 HydrophobicContact CE1-CG2 4.15Å; F239-V243 HydrophobicContact CE2-CG2 3.59Å; F239-V243 HydrophobicContact CG-CG2 4.47Å; F239-V243 HydrophobicContact CZ-CG2 3.67Å; F239-V243 WeakPolarHBondContact O-CG2 3.25Å; F239-V243 PolarHBondContact O-N 2.93Å; V243-A245 PolarHBondContact O-N 2.91Å; V243-E246 WeakPolarHBondContact O-CB 3.3Å; V243-E246 PolarHBondContact O-N 3.43Å; V243-Y248 WeakPolarHBondContact CG1-OH 3.41Å; V243-I254 HydrophobicContact CB-CG2 4.4Å; V243-I254 HydrophobicContact CG1-CD1 4.15Å; V243-I254 HydrophobicContact CG1-CG1 4.08Å
244A97.6Very high97Very high32 Ų3262.7 Ų62.726%0.26432%0.321SS..Hα-helixtrans-63.6-26.5175.700000114S240 C242 E246 I254 Q294S240-A244 WeakPolarHBondContact O-CB 3.38Å; S240-A244 PolarHBondContact O-N 3.41Å; C242-A244 VanDerWaalsContact C-N 3.32Å; C242-A244 PolarHBondContact O-N 2.65Å; A244-E246 VanDerWaalsContact C-N 3.33Å; A244-I254 HydrophobicContact CB-CB 3.8Å; A244-I254 HydrophobicContact CB-CG1 4.49Å; A244-I254 HydrophobicContact CB-CG2 4.17Å; A244-Q294 HydrophobicContact CB-CG 3.99Å
245A97.4Very high97Very high80 Ų8061 Ų6166%0.66131%0.306SS*.Hα-helixtrans-84.8-9.2179.900000112.7R241 C242 V243R241-A245 PolarHBondContact O-N 3.04Å; C242-A245 WeakPolarHBondContact O-CB 3.34Å; C242-A245 PolarHBondContact O-N 2.92Å; V243-A245 PolarHBondContact O-N 2.91Å
246E97.1Very high97Very high106 Ų10659.2 Ų59.250%0.49529%0.292SS..SBendtrans-70.8141.3175.6-66.7-177.6-166.200111.1C242 V243 A244 Y248C242-E246 PolarHBondContact O-N 2.94Å; V243-E246 WeakPolarHBondContact O-CB 3.3Å; V243-E246 PolarHBondContact O-N 3.43Å; A244-E246 VanDerWaalsContact C-N 3.33Å; E246-Y248 HydrophobicContact CB-CE1 4.08Å; E246-Y248 HydrophobicContact CB-CE2 3.98Å; E246-Y248 PolarHBondContact O-N 3.26Å; E246-Y248 VanDerWaalsContact OE2-CZ 3.31Å; E246-Y248 PolarHBondContact OE2-OH 3.21Å
247K88.9Confident97Very high211 Ų21159 Ų5992%0.91729%0.291SS*.  trans-92.7100.6-179.3-68.8-174.8179.8179.60110.1
248Y93.8Very high97Very high63 Ų6358.8 Ų58.825%0.24729%0.29CS..  trans-94.5155.1170.6-53.1-61.8000111.6L202 V243 E246 K250L202-Y248 HydrophobicContact CD1-CD1 3.78Å; L202-Y248 HydrophobicContact CD1-CE1 4.08Å; L202-Y248 HydrophobicContact CD1-CG 4.27Å; L202-Y248 HydrophobicContact CD2-CD1 4.09Å; L202-Y248 HydrophobicContact CD2-CD2 4.22Å; L202-Y248 HydrophobicContact CD2-CG 3.72Å; V243-Y248 WeakPolarHBondContact CG1-OH 3.41Å; E246-Y248 HydrophobicContact CB-CE1 4.08Å; E246-Y248 HydrophobicContact CB-CE2 3.98Å; E246-Y248 PolarHBondContact O-N 3.26Å; E246-Y248 VanDerWaalsContact OE2-CZ 3.31Å; E246-Y248 PolarHBondContact OE2-OH 3.21Å; Y248-K250 WeakPolarHBondContact CB-O 3.39Å; Y248-K250 PolarHBondContact O-N 2.96Å
249K93.7Very high97Very high231 Ų23154.6 Ų54.6100%1.00427%0.271SS*.SBendtrans-65.7-28173.2-66.1-175.1179.7178.50112.5
250K94.2Very high96.9Very high35 Ų3553.4 Ų53.415%0.15227%0.267CS..SBendtrans-103.6138.6175.6-174-176.4-64.6-172.10109.2M201 L202 Q204 E206 P209 Y248 V252M201-K250 WeakPolarHBondContact O-CD 3.15Å; M201-K250 WeakPolarHBondContact O-CE 3.46Å; M201-K250 PolarHBondContact O-NZ 3.29Å; L202-K250 HydrophobicContact CD2-CB 4.32Å; L202-K250 WeakPolarHBondContact O-CE 3.34Å; Q204-K250 PolarHBondContact O-NZ 3.1Å; E206-K250 PolarHBondContact O-NZ 3.13Å; E206-K250 VanDerWaalsContact O-NZ 3.07Å; P209-K250 HydrophobicContact CG-CD 4.17Å; Y248-K250 WeakPolarHBondContact CB-O 3.39Å; Y248-K250 PolarHBondContact O-N 2.96Å; K250-V252 PolarHBondContact O-N 3.39Å
251N94.2Very high96.8Very high86 Ų8657.4 Ų57.446%0.4628%0.284SS..  trans-67.7121.2169.5-178.843.1000109.9N208N208-N251 VanDerWaalsContact CA-O 3.32Å; N208-N251 WeakPolarHBondContact CA-O 3.42Å; N208-N251 WeakPolarHBondContact OD1-CB 3.27Å; N208-N251 PolarHBondContact OD1-ND2 3.24Å
252V97.4Very high96.8Very high16 Ų1651.6 Ų51.610%0.09726%0.263CS..  trans-124.5130.3175.7-178.90000108L198 L202 P209 K250 I254L198-V252 HydrophobicContact CD1-CG1 3.97Å; L198-V252 HydrophobicContact CD1-CG2 4.43Å; L202-V252 HydrophobicContact CD2-CG2 3.53Å; L202-V252 HydrophobicContact CG-CG2 4.49Å; P209-V252 HydrophobicContact CG-CG2 4.22Å; P209-V252 WeakPolarHBondContact O-CA 3.37Å; P209-V252 WeakPolarHBondContact O-CG1 3.43Å; K250-V252 PolarHBondContact O-N 3.39Å; V252-I254 HydrophobicContact CG1-CD1 3.82Å; V252-I254 HydrophobicContact CG1-CG1 4.45Å; V252-I254 PolarHBondContact O-N 2.93Å
253I97.9Very high96.7Very high16 Ų1649.6 Ų49.68%0.08225%0.25CC..EExtended strand (participates in β ladder)trans-84.1117.2178.7-63.3162.9000108.1K65 P209 G210 I211 Q255 Y290K65-I253 HydrophobicContact CB-CD1 4.17Å; K65-I253 HydrophobicContact CD-CD1 3.51Å; K65-I253 HydrophobicContact CD-CG1 4.47Å; K65-I253 HydrophobicContact CG-CD1 4.46Å; P209-I253 PolarHBondContact O-N 3.02Å; G210-I253 CarbonylContact C-O 3.5Å; G210-I253 WeakPolarHBondContact CA-O 3.44Å; I211-I253 PolarHBondContact N-O 3.45Å; I253-Q255 HydrophobicContact CG2-CB 4.48Å; I253-Y290 HydrophobicContact CB-CE2 4.26Å; I253-Y290 HydrophobicContact CD1-CD1 4.27Å; I253-Y290 HydrophobicContact CD1-CE1 3.56Å; I253-Y290 HydrophobicContact CD1-CE2 4.44Å; I253-Y290 HydrophobicContact CG2-CD2 4.34Å; I253-Y290 HydrophobicContact CG2-CE2 3.91Å
254I98.4Very high96.6Very high9 Ų950 Ų505%0.04625%0.252CS..EExtended strand (participates in β ladder)trans-112.4116.7171.5-53-62.9000107.8I211 S240 V243 A244 V252 Q294I211-I254 HydrophobicContact CB-CD1 3.77Å; I211-I254 HydrophobicContact CD1-CD1 3.85Å; I211-I254 HydrophobicContact CG1-CD1 3.84Å; S240-I254 WeakPolarHBondContact O-CG2 3.31Å; V243-I254 HydrophobicContact CB-CG2 4.4Å; V243-I254 HydrophobicContact CG1-CD1 4.15Å; V243-I254 HydrophobicContact CG1-CG1 4.08Å; A244-I254 HydrophobicContact CB-CB 3.8Å; A244-I254 HydrophobicContact CB-CG1 4.49Å; A244-I254 HydrophobicContact CB-CG2 4.17Å; V252-I254 HydrophobicContact CG1-CD1 3.82Å; V252-I254 HydrophobicContact CG1-CG1 4.45Å; V252-I254 PolarHBondContact O-N 2.93Å; I254-Q294 WeakPolarHBondContact O-CG 3.4Å
255Q98.3Very high96.3Very high1 Ų153.1 Ų53.11%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-127.6131.1-172.6-176.3172.351.300111.4I211 N213 I253 I257 M289 E293 Q294I211-Q255 PolarHBondContact O-N 2.97Å; N213-Q255 PolarHBondContact N-O 3.35Å; I253-Q255 HydrophobicContact CG2-CB 4.48Å; Q255-I257 HydrophobicContact CG-CD1 3.82Å; Q255-I257 HydrophobicContact CG-CG1 4.32Å; Q255-M289 PolarHBondContact NE2-O 3.34Å; Q255-E293 WeakPolarHBondContact CG-O 3.28Å; Q255-E293 PolarHBondContact NE2-O 3.35Å; Q255-Q294 CarbonylContact C-O 3.53Å; Q255-Q294 WeakPolarHBondContact CA-O 3.42Å
256A98.8Very high95.9Very high1 Ų154.4 Ų54.41%0.00826%0.258CS..EExtended strand (participates in β ladder)trans-98.6122.5168.400000110.2N213 Q294 Q295 T296N213-A256 WeakPolarHBondContact O-CA 3.35Å; A256-Q294 PolarHBondContact N-O 3.4Å; A256-Q295 HydrophobicContact CB-CG 4.37Å; A256-Q295 WeakPolarHBondContact O-CA 3.24Å; A256-T296 PolarHBondContact O-N 3.1Å; A256-T296 VanDerWaalsContact O-N 3.14Å
257I98.8Very high95.4Very high0 Ų050.8 Ų50.80%024%0.243CC..EExtended strand (participates in β ladder)trans-102.5126.3173.1-58-63000108.4I212 N213 I214 A215 Q255 P259 Y282 A286 T296I212-I257 HydrophobicContact CG2-CG1 3.68Å; N213-I257 PolarHBondContact O-N 2.9Å; I214-I257 HydrophobicContact CD1-CB 3.95Å; I214-I257 HydrophobicContact CD1-CG1 4.27Å; I214-I257 HydrophobicContact CD1-CG2 4.4Å; A215-I257 CarbonylContact C-O 3.58Å; A215-I257 WeakPolarHBondContact CA-O 3.44Å; A215-I257 WeakPolarHBondContact CB-O 3.34Å; A215-I257 PolarHBondContact N-O 3.22Å; Q255-I257 HydrophobicContact CG-CD1 3.82Å; Q255-I257 HydrophobicContact CG-CG1 4.32Å; I257-P259 VanDerWaalsContact C-CD 3.44Å; I257-P259 HydrophobicContact CG2-CG 4.44Å; I257-P259 WeakPolarHBondContact O-CD 3.29Å; I257-Y282 WeakPolarHBondContact CG2-OH 3.32Å; I257-A286 HydrophobicContact CG2-CB 4.47Å; I257-T296 CarbonylContact C-O 3.34Å; I257-T296 VanDerWaalsContact CA-O 3.28Å; I257-T296 WeakPolarHBondContact CA-O 3.2Å; I257-T296 HydrophobicContact CD1-CG2 3.66Å
258C98.7Very high95.4Very high4 Ų447.7 Ų47.73%0.02724%0.237CC..  trans-115.174.8-177.4-58.80000111.3L220 T296 S297L220-C258 HydrophobicContact CD1-CB 4Å; C258-T296 PolarHBondContact N-O 2.85Å; C258-S297 WeakPolarHBondContact O-CA 3.35Å
259P98.5Very high95.1Very high8 Ų850 Ų505%0.05225%0.253CS..  trans-59.4152.8179.1-6.612.5000112.4I85 I214 Y217 I257 V262 Y282I85-P259 HydrophobicContact CD1-CG 4.4Å; I214-P259 HydrophobicContact CG2-CG 3.97Å; Y217-P259 WeakPolarHBondContact CB-O 3.48Å; Y217-P259 PolarHBondContact N-O 3.31Å; I257-P259 VanDerWaalsContact C-CD 3.44Å; I257-P259 HydrophobicContact CG2-CG 4.44Å; I257-P259 WeakPolarHBondContact O-CD 3.29Å; P259-V262 HydrophobicContact CB-CG2 4.29Å; P259-Y282 WeakPolarHBondContact CA-OH 3.49Å; P259-Y282 HydrophobicContact CB-CE1 4.08Å; P259-Y282 HydrophobicContact CB-CE2 4.12Å; P259-Y282 VanDerWaalsContact CB-OH 3.23Å; P259-Y282 WeakPolarHBondContact CB-OH 3.33Å; P259-Y282 HydrophobicContact CG-CE1 3.96Å; P259-Y282 WeakPolarHBondContact CG-OH 3.37Å
260L97.4Very high94.9Very high23 Ų2342.1 Ų42.112%0.1222%0.22CC..  trans-89.8-160.7151.9-78.277.8000108Y217 V262 H302 K305 A306 Y309Y217-L260 HydrophobicContact CD1-CD1 4.28Å; Y217-L260 HydrophobicContact CD1-CD2 4.44Å; Y217-L260 HydrophobicContact CD1-CG 4.06Å; Y217-L260 HydrophobicContact CD2-CD1 3.91Å; Y217-L260 HydrophobicContact CG-CD1 3.65Å; Y217-L260 HydrophobicContact CG-CG 3.89Å; L260-V262 PolarHBondContact O-N 3.38Å; L260-H302 HydrophobicContact CB-CB 4.44Å; L260-H302 HydrophobicContact CD1-CB 3.86Å; L260-H302 PolarHBondContact N-CE1 3.33Å; L260-H302 PolarHBondContact N-ND1 3.32Å; L260-H302 VanDerWaalsContact N-ND1 3.14Å; L260-K305 HydrophobicContact CD2-CB 3.97Å; L260-K305 HydrophobicContact CD2-CD 3.69Å; L260-K305 HydrophobicContact CD2-CG 3.69Å; L260-A306 HydrophobicContact CD1-CB 4.29Å; L260-Y309 HydrophobicContact CD2-CD2 4.49Å; L260-Y309 HydrophobicContact CD2-CE2 4.21Å
261F96.3Very high94.9Very high85 Ų8549.4 Ų49.437%0.37325%0.252SS..  trans-58.2126.1179.7-67.9-62.3000112.8T267 M270 I276 H302F261-T267 HydrophobicContact CD1-CG2 4.21Å; F261-M270 HydrophobicContact CB-SD 4.06Å; F261-M270 HydrophobicContact CD1-SD 3.65Å; F261-M270 HydrophobicContact CD2-CE 4.4Å; F261-M270 HydrophobicContact CD2-SD 4.39Å; F261-M270 HydrophobicContact CE1-SD 4.16Å; F261-M270 HydrophobicContact CG-CE 4.35Å; F261-M270 HydrophobicContact CG-SD 3.79Å; F261-I276 HydrophobicContact CB-CD1 4.25Å; F261-I276 HydrophobicContact CB-CG1 4.05Å; F261-I276 HydrophobicContact CB-CG2 4.48Å; F261-H302 PolarHBondContact O-NE2 2.62Å
262V97.8Very high95Very high4 Ų448.8 Ų48.82%0.02425%0.251CS..  trans-119.7136.8170-179.80000106.7I85 P259 L260 T264 T267 P277 A279 Y282I85-V262 HydrophobicContact CD1-CB 4.09Å; I85-V262 HydrophobicContact CD1-CG1 4.36Å; I85-V262 HydrophobicContact CD1-CG2 3.97Å; I85-V262 HydrophobicContact CG1-CB 4.37Å; I85-V262 HydrophobicContact CG1-CG1 4.09Å; P259-V262 HydrophobicContact CB-CG2 4.29Å; L260-V262 PolarHBondContact O-N 3.38Å; V262-T264 HydrophobicContact CB-CG2 4.31Å; V262-T264 HydrophobicContact CG1-CG2 3.98Å; V262-T264 PolarHBondContact O-N 3.3Å; V262-T267 WeakPolarHBondContact O-CG2 3.29Å; V262-T267 PolarHBondContact O-OG1 3.26Å; V262-T267 VanDerWaalsContact O-OG1 3.05Å; V262-P277 HydrophobicContact CG2-CG 4.33Å; V262-A279 HydrophobicContact CG1-CB 4.33Å; V262-Y282 HydrophobicContact CG1-CG 4.23Å; V262-Y282 HydrophobicContact CG2-CD1 3.87Å; V262-Y282 HydrophobicContact CG2-CD2 3.74Å; V262-Y282 HydrophobicContact CG2-CE1 4.28Å; V262-Y282 HydrophobicContact CG2-CE2 4.2Å; V262-Y282 HydrophobicContact CG2-CG 3.57Å
263S96.9Very high94.9Very high22 Ų2251.6 Ų51.615%0.15427%0.269CS..BIsolated β-bridgetrans-67101.2178.2177.90000110.6M270 P277S263-M270 VanDerWaalsContact CB-O 3.27Å; S263-M270 WeakPolarHBondContact CB-O 3.48Å; S263-M270 PolarHBondContact OG-O 2.9Å; S263-M270 VanDerWaalsContact OG-O 3.1Å; S263-P277 PolarHBondContact N-O 3.25Å
264T96Very high94.9Very high16 Ų1656.1 Ų56.110%0.09829%0.288CS..SBendtrans-141.7171.7177.5690000111.1I85 V262 M266 T267 N268 L269 A279I85-T264 HydrophobicContact CG1-CG2 4.13Å; V262-T264 HydrophobicContact CB-CG2 4.31Å; V262-T264 HydrophobicContact CG1-CG2 3.98Å; V262-T264 PolarHBondContact O-N 3.3Å; T264-M266 VanDerWaalsContact C-N 3.26Å; T264-M266 PolarHBondContact O-N 3.37Å; T264-M266 PolarHBondContact OG1-N 2.8Å; T264-T267 PolarHBondContact N-OG1 3.37Å; T264-T267 CarbonylContact O-C 3.58Å; T264-T267 PolarHBondContact O-N 2.92Å; T264-T267 PolarHBondContact O-OG1 3.32Å; T264-N268 PolarHBondContact O-N 3.16Å; T264-L269 PolarHBondContact O-N 3.06Å; T264-A279 HydrophobicContact CG2-CB 4.22Å
265N92.3Very high94.8Very high99 Ų9958.3 Ų58.353%0.52930%0.297SS..G310 helixtrans-55.7-39.9174.2-654000112.2T267 N268N265-T267 PolarHBondContact O-N 3Å; N265-T267 VanDerWaalsContact O-N 3.16Å; N265-N268 PolarHBondContact O-N 3.04Å
266M89.5Confident94.8Very high106 Ų10658.8 Ų58.852%0.52230%0.3SS..G310 helixtrans-59.7-28.3176.8-176.1-179.5-6700112.8G159 T264G159-M266 WeakPolarHBondContact O-CE 3.44Å; T264-M266 VanDerWaalsContact C-N 3.26Å; T264-M266 PolarHBondContact O-N 3.37Å; T264-M266 PolarHBondContact OG1-N 2.8Å
267T86.2Confident94.7Very high30 Ų3059.1 Ų59.118%0.18430%0.302CS..G310 helixtrans-96.913.7176.663.80000112.9F261 V262 T264 N265 L269 M270F261-T267 HydrophobicContact CD1-CG2 4.21Å; V262-T267 WeakPolarHBondContact O-CG2 3.29Å; V262-T267 PolarHBondContact O-OG1 3.26Å; V262-T267 VanDerWaalsContact O-OG1 3.05Å; T264-T267 PolarHBondContact N-OG1 3.37Å; T264-T267 CarbonylContact O-C 3.58Å; T264-T267 PolarHBondContact O-N 2.92Å; T264-T267 PolarHBondContact O-OG1 3.32Å; N265-T267 PolarHBondContact O-N 3Å; N265-T267 VanDerWaalsContact O-N 3.16Å; T267-L269 PolarHBondContact O-N 3.3Å; T267-M270 VanDerWaalsContact O-CG 3.24Å; T267-M270 WeakPolarHBondContact O-CG 3.46Å; T267-M270 PolarHBondContact O-N 3.3Å
268N88.9Confident94.7Very high147 Ų14761.9 Ų61.979%0.78632%0.319SS*.THydrogen-bonded Turntrans53.239.3-172.3-57.7-33.7000112.4T264 N265 M270T264-N268 PolarHBondContact O-N 3.16Å; N265-N268 PolarHBondContact O-N 3.04Å; N268-M270 VanDerWaalsContact C-N 3.34Å; N268-M270 PolarHBondContact O-N 3.14Å
269L87.1Confident94.7Very high111 Ų11162.4 Ų62.458%0.58132%0.323SS*.THydrogen-bonded Turntrans51.648.5178.7-60.8169.4000113T264 T267 K271T264-L269 PolarHBondContact O-N 3.06Å; T267-L269 PolarHBondContact O-N 3.3Å; L269-K271 PolarHBondContact O-N 3.2Å
270M89.1Confident94.7Very high66 Ų6667.4 Ų67.433%0.32534%0.344SS..  trans-44.6129.7176-74.2-177.282.700111.4F261 S263 T267 N268 T272 I276F261-M270 HydrophobicContact CB-SD 4.06Å; F261-M270 HydrophobicContact CD1-SD 3.65Å; F261-M270 HydrophobicContact CD2-CE 4.4Å; F261-M270 HydrophobicContact CD2-SD 4.39Å; F261-M270 HydrophobicContact CE1-SD 4.16Å; F261-M270 HydrophobicContact CG-CE 4.35Å; F261-M270 HydrophobicContact CG-SD 3.79Å; S263-M270 VanDerWaalsContact CB-O 3.27Å; S263-M270 WeakPolarHBondContact CB-O 3.48Å; S263-M270 PolarHBondContact OG-O 2.9Å; S263-M270 VanDerWaalsContact OG-O 3.1Å; T267-M270 VanDerWaalsContact O-CG 3.24Å; T267-M270 WeakPolarHBondContact O-CG 3.46Å; T267-M270 PolarHBondContact O-N 3.3Å; N268-M270 VanDerWaalsContact C-N 3.34Å; N268-M270 PolarHBondContact O-N 3.14Å; M270-T272 PolarHBondContact O-N 2.95Å; M270-I276 HydrophobicContact CB-CG2 4.41Å; M270-I276 HydrophobicContact CE-CD1 3.69Å; M270-I276 HydrophobicContact SD-CD1 4.36Å
271K94.3Very high94.8Very high187 Ų18769.4 Ų69.481%0.81336%0.357SS*.  trans-50.4128.2176.5-174.4175.9-178.6175.80110.5L269 T273L269-K271 PolarHBondContact O-N 3.2Å; K271-T273 PolarHBondContact O-N 3.49Å
272T96.1Very high94.9Very high73 Ų7365.4 Ų65.445%0.44834%0.339SS..  trans-60.4138.8177.455.30000110.5M270 I276 T278M270-T272 PolarHBondContact O-N 2.95Å; T272-I276 VanDerWaalsContact CA-O 3.23Å; T272-I276 WeakPolarHBondContact CA-O 3.42Å; T272-I276 WeakPolarHBondContact CB-O 3.33Å; T272-T278 HydrophobicContact CG2-CG2 3.7Å
273T96.4Very high94.9Very high75 Ų7565.2 Ų65.246%0.4634%0.338SS..  trans-135.2-176.3177.866.90000109.5K271 F275 I276K271-T273 PolarHBondContact O-N 3.49Å; T273-F275 PolarHBondContact O-N 2.76Å; T273-F275 PolarHBondContact OG1-N 2.87Å; T273-I276 HydrophobicContact CG2-CD1 4.36Å; T273-I276 PolarHBondContact N-O 3.06Å; T273-I276 PolarHBondContact O-N 3.24Å; T273-I276 WeakPolarHBondContact OG1-CG1 3.31Å; T273-I276 PolarHBondContact OG1-N 3.41Å; T273-I276 VanDerWaalsContact OG1-N 3.15Å
274F96.4Very high95Very high111 Ų11168.5 Ų68.549%0.48735%0.35SS..SBendtrans-50.3-41170.1-174.9-101.9000112R301F274-R301 HydrophobicContact CE1-CG 4.29Å; F274-R301 HydrophobicContact CZ-CG 4.29Å; F274-R301 WeakPolarHBondContact O-CD 3.4Å; F274-R301 PolarHBondContact O-NH1 3.44Å
275F96.8Very high95.1Very high55 Ų5569.7 Ų69.724%0.24136%0.355CS..SBendtrans-99.4-5.9-177.3-65-68.6000115.2T273 R301 H302 K305 L308T273-F275 PolarHBondContact O-N 2.76Å; T273-F275 PolarHBondContact OG1-N 2.87Å; F275-R301 HydrophobicContact CD1-CB 4.14Å; F275-R301 WeakPolarHBondContact CD1-O 3.2Å; F275-H302 PolarHBondContact O-CD2 2.93Å; F275-H302 VanDerWaalsContact O-CD2 3.26Å; F275-H302 PolarHBondContact O-NE2 3.24Å; F275-H302 VanDerWaalsContact O-NE2 3.13Å; F275-K305 HydrophobicContact CB-CD 3.75Å; F275-K305 HydrophobicContact CD1-CB 3.71Å; F275-K305 HydrophobicContact CD1-CD 3.88Å; F275-K305 HydrophobicContact CD1-CG 4.27Å; F275-K305 HydrophobicContact CD2-CD 4.18Å; F275-K305 HydrophobicContact CE1-CB 3.83Å; F275-K305 HydrophobicContact CE1-CD 4.49Å; F275-K305 HydrophobicContact CE1-CG 4.49Å; F275-K305 HydrophobicContact CG-CB 4.4Å; F275-K305 HydrophobicContact CG-CD 3.69Å; F275-L308 HydrophobicContact CZ-CD1 4.49Å
276I97.5Very high95.4Very high12 Ų1265 Ų656%0.06233%0.33CS..  trans-118.697.3-177.7-57.4175.5000108F261 M270 T272 T273F261-I276 HydrophobicContact CB-CD1 4.25Å; F261-I276 HydrophobicContact CB-CG1 4.05Å; F261-I276 HydrophobicContact CB-CG2 4.48Å; M270-I276 HydrophobicContact CB-CG2 4.41Å; M270-I276 HydrophobicContact CE-CD1 3.69Å; M270-I276 HydrophobicContact SD-CD1 4.36Å; T272-I276 VanDerWaalsContact CA-O 3.23Å; T272-I276 WeakPolarHBondContact CA-O 3.42Å; T272-I276 WeakPolarHBondContact CB-O 3.33Å; T273-I276 HydrophobicContact CG2-CD1 4.36Å; T273-I276 PolarHBondContact N-O 3.06Å; T273-I276 PolarHBondContact O-N 3.24Å; T273-I276 WeakPolarHBondContact OG1-CG1 3.31Å; T273-I276 PolarHBondContact OG1-N 3.41Å; T273-I276 VanDerWaalsContact OG1-N 3.15Å
277P98.4Very high95.9Very high7 Ų759.9 Ų59.95%0.04531%0.305CS..  trans-79166.8177.134.2-35.5000111.6V262 S263 V281 Y282 Y299 H302V262-P277 HydrophobicContact CG2-CG 4.33Å; S263-P277 PolarHBondContact N-O 3.25Å; P277-V281 HydrophobicContact CB-CB 4.1Å; P277-V281 HydrophobicContact CB-CG1 3.92Å; P277-Y282 HydrophobicContact CG-CD2 4.09Å; P277-Y282 HydrophobicContact CG-CG 4.42Å; P277-Y299 HydrophobicContact CB-CE1 3.94Å; P277-Y299 HydrophobicContact CG-CD1 3.91Å; P277-Y299 HydrophobicContact CG-CE1 3.7Å; P277-H302 WeakPolarHBondContact CD-NE2 3.46Å
278T98.5Very high96.4Very high59 Ų5959.9 Ų59.936%0.36230%0.304SS..BIsolated β-bridgetrans-69.7159.9160.863.50000110.3T272 K280 V281 Y282T272-T278 HydrophobicContact CG2-CG2 3.7Å; T278-K280 VanDerWaalsContact C-N 3.26Å; T278-K280 PolarHBondContact O-N 2.78Å; T278-V281 PolarHBondContact O-N 3.42Å; T278-V281 WeakPolarHBondContact OG1-CG2 3.15Å; T278-V281 PolarHBondContact OG1-N 2.88Å; T278-Y282 WeakPolarHBondContact O-CB 3.47Å; T278-Y282 PolarHBondContact O-N 3.49Å
279A98.4Very high96.9Very high14 Ų1452.9 Ų52.912%0.11627%0.267CS..Hα-helixtrans-54.8-41.7174.300000113G84 A88 V262 T264 Y282 A283G84-A279 VanDerWaalsContact C-CB 3.44Å; G84-A279 VanDerWaalsContact O-CB 3.29Å; G84-A279 WeakPolarHBondContact O-CB 3.21Å; A88-A279 HydrophobicContact CB-CB 3.97Å; A88-A279 WeakPolarHBondContact CB-O 3.41Å; V262-A279 HydrophobicContact CG1-CB 4.33Å; T264-A279 HydrophobicContact CG2-CB 4.22Å; A279-Y282 WeakPolarHBondContact O-CB 3.44Å; A279-Y282 PolarHBondContact O-N 3.35Å; A279-A283 WeakPolarHBondContact O-CB 3.31Å; A279-A283 PolarHBondContact O-N 2.96Å
280K98.4Very high97.4Very high114 Ų11447.6 Ų47.650%0.49624%0.239SC..Hα-helixtrans-61.9-49.1177.8-171.9167.4-172.5151.90112.9E91 T278 Y282 K284E91-K280 IonicContact OE2-NZ 3Å; E91-K280 PolarHBondContact OE2-NZ 2.88Å; T278-K280 VanDerWaalsContact C-N 3.26Å; T278-K280 PolarHBondContact O-N 2.78Å; K280-Y282 VanDerWaalsContact C-N 3.26Å; K280-Y282 PolarHBondContact O-N 2.98Å; K280-K284 WeakPolarHBondContact O-CB 3.36Å; K280-K284 PolarHBondContact O-N 3Å; K280-K284 VanDerWaalsContact O-N 3.16Å
281V98.6Very high97.8Very high65 Ų6545.7 Ų45.739%0.39424%0.236SC..Hα-helixtrans-61.5-40.7176.2171.20000110.1P277 T278 N285 Y299P277-V281 HydrophobicContact CB-CB 4.1Å; P277-V281 HydrophobicContact CB-CG1 3.92Å; T278-V281 PolarHBondContact O-N 3.42Å; T278-V281 WeakPolarHBondContact OG1-CG2 3.15Å; T278-V281 PolarHBondContact OG1-N 2.88Å; V281-N285 PolarHBondContact O-N 3.28Å; V281-N285 PolarHBondContact O-ND2 3.11Å; V281-Y299 HydrophobicContact CG1-CE2 4.42Å
282Y98.8Very high97.9Very high0 Ų037.2 Ų37.20%020%0.2CC..Hα-helixtrans-64.5-56.3179.4-176.4-104.5000112.7I85 I257 P259 V262 P277 T278 A279 K280 K284 N285 A286 S297 Y299 H302I85-Y282 HydrophobicContact CD1-CD1 4Å; I85-Y282 HydrophobicContact CD1-CE1 4.01Å; I85-Y282 HydrophobicContact CG1-CD1 4.02Å; I85-Y282 HydrophobicContact CG1-CE1 4.45Å; I85-Y282 HydrophobicContact CG2-CD1 4.26Å; I85-Y282 HydrophobicContact CG2-CE1 4.31Å; I257-Y282 WeakPolarHBondContact CG2-OH 3.32Å; P259-Y282 WeakPolarHBondContact CA-OH 3.49Å; P259-Y282 HydrophobicContact CB-CE1 4.08Å; P259-Y282 HydrophobicContact CB-CE2 4.12Å; P259-Y282 VanDerWaalsContact CB-OH 3.23Å; P259-Y282 WeakPolarHBondContact CB-OH 3.33Å; P259-Y282 HydrophobicContact CG-CE1 3.96Å; P259-Y282 WeakPolarHBondContact CG-OH 3.37Å; V262-Y282 HydrophobicContact CG1-CG 4.23Å; V262-Y282 HydrophobicContact CG2-CD1 3.87Å; V262-Y282 HydrophobicContact CG2-CD2 3.74Å; V262-Y282 HydrophobicContact CG2-CE1 4.28Å; V262-Y282 HydrophobicContact CG2-CE2 4.2Å; V262-Y282 HydrophobicContact CG2-CG 3.57Å; P277-Y282 HydrophobicContact CG-CD2 4.09Å; P277-Y282 HydrophobicContact CG-CG 4.42Å; T278-Y282 WeakPolarHBondContact O-CB 3.47Å; T278-Y282 PolarHBondContact O-N 3.49Å; A279-Y282 WeakPolarHBondContact O-CB 3.44Å; A279-Y282 PolarHBondContact O-N 3.35Å; K280-Y282 VanDerWaalsContact C-N 3.26Å; K280-Y282 PolarHBondContact O-N 2.98Å; Y282-K284 VanDerWaalsContact C-N 3.32Å; Y282-K284 PolarHBondContact O-N 2.86Å; Y282-N285 PolarHBondContact O-N 3.45Å; Y282-N285 VanDerWaalsContact O-N 3.13Å; Y282-A286 HydrophobicContact CE1-CB 4.22Å; Y282-A286 WeakPolarHBondContact O-CB 3.43Å; Y282-A286 PolarHBondContact O-N 2.96Å; Y282-S297 WeakPolarHBondContact CE2-O 3.47Å; Y282-S297 PolarHBondContact OH-O 3.47Å; Y282-Y299 HydrophobicContact CD2-CG 4.33Å; Y282-H302 AromaticContact CD2-CE1 3.91Å; Y282-H302 AromaticContact CE2-CE1 3.78Å; Y282-H302 AromaticContact CE2-ND1 3.54Å
283A98.8Very high97.9Very high0 Ų036.2 Ų36.20%019%0.19CC..Hα-helixtrans-59.8-40.9-176.400000112A88 Y89 E92 A279 N285 A286 L287A88-A283 HydrophobicContact CB-CB 3.51Å; Y89-A283 HydrophobicContact CD2-CB 4Å; Y89-A283 HydrophobicContact CE2-CB 4.35Å; Y89-A283 HydrophobicContact CG-CB 4.25Å; E92-A283 HydrophobicContact CG-CB 4.4Å; A279-A283 WeakPolarHBondContact O-CB 3.31Å; A279-A283 PolarHBondContact O-N 2.96Å; A283-N285 PolarHBondContact O-N 3.38Å; A283-A286 PolarHBondContact O-N 2.87Å; A283-L287 VanDerWaalsContact O-CB 3.27Å; A283-L287 WeakPolarHBondContact O-CB 3.41Å; A283-L287 PolarHBondContact O-N 3.45Å
284K98.7Very high97.9Very high92 Ų9237 Ų3740%0.419%0.189SC..Hα-helixtrans-55.9-52173.9-174.3-137.8172.5-164.50111.7R66 E92 K280 Y282 D288R66-K284 PolarHBondContact NH1-O 3.23Å; E92-K284 HydrophobicContact CG-CB 4.22Å; E92-K284 WeakPolarHBondContact OE2-CG 3.31Å; K280-K284 WeakPolarHBondContact O-CB 3.36Å; K280-K284 PolarHBondContact O-N 3Å; K280-K284 VanDerWaalsContact O-N 3.16Å; Y282-K284 VanDerWaalsContact C-N 3.32Å; Y282-K284 PolarHBondContact O-N 2.86Å; K284-D288 PolarHBondContact O-N 3.12Å; K284-D288 VanDerWaalsContact O-N 3.07Å
285N98.6Very high98Very high40 Ų4035 Ų3521%0.21418%0.181CC..Hα-helixtrans-68.2-36.8-179-78.2-90.9000112.1V281 Y282 A283 D288 G298 Y299V281-N285 PolarHBondContact O-N 3.28Å; V281-N285 PolarHBondContact O-ND2 3.11Å; Y282-N285 PolarHBondContact O-N 3.45Å; Y282-N285 VanDerWaalsContact O-N 3.13Å; A283-N285 PolarHBondContact O-N 3.38Å; N285-D288 WeakPolarHBondContact O-CB 3.3Å; N285-D288 PolarHBondContact O-N 3.37Å; N285-G298 CarbonylContact C-O 3.54Å; N285-Y299 HydrophobicContact CB-CD2 3.89Å
286A98.7Very high98.1Very high0 Ų032.5 Ų32.50%017%0.17CC..Hα-helixtrans-69.1-41.6179.400000111.4Y89 I257 Y282 A283 D288 M289 G298Y89-A286 HydrophobicContact CE2-CB 4.48Å; Y89-A286 WeakPolarHBondContact OH-CB 3.36Å; I257-A286 HydrophobicContact CG2-CB 4.47Å; Y282-A286 HydrophobicContact CE1-CB 4.22Å; Y282-A286 WeakPolarHBondContact O-CB 3.43Å; Y282-A286 PolarHBondContact O-N 2.96Å; A283-A286 PolarHBondContact O-N 2.87Å; A286-D288 VanDerWaalsContact C-N 3.32Å; A286-D288 PolarHBondContact O-N 3.03Å; A286-M289 WeakPolarHBondContact O-CB 3.27Å; A286-M289 PolarHBondContact O-N 3.36Å; A286-G298 WeakPolarHBondContact CA-O 3.29Å; A286-G298 PolarHBondContact N-O 2.98Å; A286-G298 VanDerWaalsContact N-O 3.12Å
287L98.6Very high98.1Very high0 Ų032.3 Ų32.30%017%0.17CC..Hα-helixtrans-67.5-31.4175-169.265.2000112.2R66 L69 Y89 E92 L93 I212 A283 M289 Y290R66-L287 HydrophobicContact CG-CD2 4.39Å; R66-L287 HydrophobicContact CG-CG 4.11Å; L69-L287 HydrophobicContact CD1-CD1 3.92Å; L69-L287 HydrophobicContact CD1-CG 4.44Å; Y89-L287 HydrophobicContact CD1-CD1 4.32Å; Y89-L287 HydrophobicContact CE1-CB 4.06Å; Y89-L287 HydrophobicContact CE1-CD1 4Å; E92-L287 HydrophobicContact CB-CD2 3.76Å; L93-L287 HydrophobicContact CD2-CD1 4Å; L93-L287 HydrophobicContact CD2-CD2 4.1Å; L93-L287 HydrophobicContact CG-CD2 4.29Å; I212-L287 HydrophobicContact CD1-CD1 3.99Å; A283-L287 VanDerWaalsContact O-CB 3.27Å; A283-L287 WeakPolarHBondContact O-CB 3.41Å; A283-L287 PolarHBondContact O-N 3.45Å; L287-M289 PolarHBondContact O-N 2.87Å; L287-M289 VanDerWaalsContact O-N 3.15Å; L287-Y290 WeakPolarHBondContact O-CB 3.39Å; L287-Y290 PolarHBondContact O-N 2.93Å
288D98.3Very high98.1Very high30 Ų3032 Ų3216%0.1617%0.168CC..Hα-helixtrans-60.2-22.6171-68.6-17.3000112.3K60 S64 R66 K284 N285 A286 Y290K60-D288 HydrophobicContact CD-CB 3.98Å; K60-D288 HydrophobicContact CG-CB 4.39Å; S64-D288 WeakPolarHBondContact CB-O 3.39Å; S64-D288 PolarHBondContact OG-O 3.36Å; R66-D288 WeakPolarHBondContact CD-OD1 3.38Å; R66-D288 IonicContact CZ-OD1 2.73Å; R66-D288 IonicContact NE-OD1 3.3Å; R66-D288 IonicContact NH1-OD1 2.92Å; R66-D288 PolarHBondContact NH1-OD1 3.42Å; K284-D288 PolarHBondContact O-N 3.12Å; K284-D288 VanDerWaalsContact O-N 3.07Å; N285-D288 WeakPolarHBondContact O-CB 3.3Å; N285-D288 PolarHBondContact O-N 3.37Å; A286-D288 VanDerWaalsContact C-N 3.32Å; A286-D288 PolarHBondContact O-N 3.03Å; D288-Y290 VanDerWaalsContact C-N 3.34Å
289M98.3Very high98.1Very high0 Ų029.9 Ų29.90%015%0.153CC..THydrogen-bonded Turntrans-88.33.3176.1-61.5-60.2-65.400113.6K55 F56 K60 Q255 A286 L287 G291 V292 E293 T296K55-M289 HydrophobicContact CG-CE 3.86Å; F56-M289 HydrophobicContact CD1-CE 4.23Å; F56-M289 HydrophobicContact CD1-CG 4.24Å; F56-M289 HydrophobicContact CD1-SD 3.69Å; F56-M289 HydrophobicContact CE1-CE 4.13Å; F56-M289 HydrophobicContact CE1-CG 3.87Å; F56-M289 HydrophobicContact CE1-SD 3.86Å; F56-M289 HydrophobicContact CG-SD 4.49Å; F56-M289 HydrophobicContact CZ-CE 4.49Å; K60-M289 HydrophobicContact CB-SD 3.93Å; K60-M289 HydrophobicContact CD-SD 3.92Å; K60-M289 HydrophobicContact CG-SD 3.79Å; Q255-M289 PolarHBondContact NE2-O 3.34Å; A286-M289 WeakPolarHBondContact O-CB 3.27Å; A286-M289 PolarHBondContact O-N 3.36Å; L287-M289 PolarHBondContact O-N 2.87Å; L287-M289 VanDerWaalsContact O-N 3.15Å; M289-G291 PolarHBondContact O-N 2.92Å; M289-V292 HydrophobicContact CE-CB 3.91Å; M289-V292 HydrophobicContact CE-CG1 3.63Å; M289-V292 WeakPolarHBondContact O-CB 3.29Å; M289-V292 WeakPolarHBondContact O-CG2 3.45Å; M289-V292 PolarHBondContact O-N 3.03Å; M289-E293 HydrophobicContact CE-CG 4.46Å; M289-T296 HydrophobicContact CB-CG2 4.23Å
290Y98.2Very high98.1Very high0 Ų032.5 Ų32.50%016%0.162CC..THydrogen-bonded Turntrans-58.2122179.4-178.4-107.9000111.5K65 L69 G210 I212 I253 L287 D288 V292K65-Y290 HydrophobicContact CB-CD1 3.94Å; K65-Y290 HydrophobicContact CB-CE1 4.24Å; K65-Y290 PolarHBondContact N-O 3.01Å; L69-Y290 HydrophobicContact CD1-CD1 4.26Å; L69-Y290 HydrophobicContact CD1-CE1 4.49Å; L69-Y290 HydrophobicContact CD2-CD1 4.09Å; L69-Y290 HydrophobicContact CD2-CE1 3.5Å; L69-Y290 HydrophobicContact CD2-CE2 4.44Å; L69-Y290 HydrophobicContact CG-CD1 4.05Å; L69-Y290 HydrophobicContact CG-CE1 3.87Å; G210-Y290 VanDerWaalsContact CA-OH 3.24Å; G210-Y290 WeakPolarHBondContact CA-OH 3.43Å; G210-Y290 PolarHBondContact N-OH 3.02Å; G210-Y290 VanDerWaalsContact N-OH 3.14Å; I212-Y290 HydrophobicContact CD1-CD2 3.67Å; I212-Y290 HydrophobicContact CD1-CE2 4.1Å; I212-Y290 HydrophobicContact CG1-CD2 3.87Å; I212-Y290 HydrophobicContact CG1-CE2 3.98Å; I253-Y290 HydrophobicContact CB-CE2 4.26Å; I253-Y290 HydrophobicContact CD1-CD1 4.27Å; I253-Y290 HydrophobicContact CD1-CE1 3.56Å; I253-Y290 HydrophobicContact CD1-CE2 4.44Å; I253-Y290 HydrophobicContact CG2-CD2 4.34Å; I253-Y290 HydrophobicContact CG2-CE2 3.91Å; L287-Y290 WeakPolarHBondContact O-CB 3.39Å; L287-Y290 PolarHBondContact O-N 2.93Å; D288-Y290 VanDerWaalsContact C-N 3.34Å; Y290-V292 VanDerWaalsContact C-N 3.26Å; Y290-V292 PolarHBondContact O-N 3.06Å
291G96.5Very high98Very high25 Ų2531.2 Ų31.226%0.25815%0.154SC..THydrogen-bonded Turntrans77-0.9-177.200000116M289M289-G291 PolarHBondContact O-N 2.92Å
292V97.5Very high98Very high9 Ų928.1 Ų28.16%0.05514%0.135CC..THydrogen-bonded Turntrans-83.8-45.3-178.7-175.70000111.8K59 M289 Y290K59-V292 HydrophobicContact CB-CG1 4.19Å; K59-V292 HydrophobicContact CD-CG1 3.96Å; K59-V292 WeakPolarHBondContact CE-O 3.32Å; K59-V292 HydrophobicContact CG-CG1 3.75Å; K59-V292 PolarHBondContact NZ-O 3.36Å; M289-V292 HydrophobicContact CE-CB 3.91Å; M289-V292 HydrophobicContact CE-CG1 3.63Å; M289-V292 WeakPolarHBondContact O-CB 3.29Å; M289-V292 WeakPolarHBondContact O-CG2 3.45Å; M289-V292 PolarHBondContact O-N 3.03Å; Y290-V292 VanDerWaalsContact C-N 3.26Å; Y290-V292 PolarHBondContact O-N 3.06Å
293E96Very high98Very high53 Ų5329.9 Ų29.925%0.24814%0.144CC..  trans-135.7140177.4-68.5-68.3-178.300109.8K55 K59 Q255 M289 Q295 T296K55-E293 HydrophobicContact CD-CG 4.07Å; K55-E293 HydrophobicContact CG-CG 4.35Å; K59-E293 WeakPolarHBondContact CE-OE1 3.45Å; K59-E293 IonicContact NZ-OE1 2.66Å; K59-E293 PolarHBondContact NZ-OE1 2.92Å; K59-E293 IonicContact NZ-OE2 2.77Å; K59-E293 PolarHBondContact NZ-OE2 3.35Å; Q255-E293 WeakPolarHBondContact CG-O 3.28Å; Q255-E293 PolarHBondContact NE2-O 3.35Å; M289-E293 HydrophobicContact CE-CG 4.46Å; E293-Q295 VanDerWaalsContact C-N 3.25Å; E293-Q295 PolarHBondContact O-N 3.37Å; E293-T296 HydrophobicContact CB-CG2 4.33Å
294Q96.9Very high97.9Very high91 Ų9131.7 Ų31.743%0.42515%0.153SC..SBendtrans-65.4-31.8172.9-167.9-174-35.500112.1A244 I254 Q255 A256A244-Q294 HydrophobicContact CB-CG 3.99Å; I254-Q294 WeakPolarHBondContact O-CG 3.4Å; Q255-Q294 CarbonylContact C-O 3.53Å; Q255-Q294 WeakPolarHBondContact CA-O 3.42Å; A256-Q294 PolarHBondContact N-O 3.4Å
295Q98.3Very high97.8Very high68 Ų6828.9 Ų28.932%0.31814%0.141SC..EExtended strand (participates in β ladder)trans-135.9125.6177.2-171.5-173.6-7100111A256 E293A256-Q295 HydrophobicContact CB-CG 4.37Å; A256-Q295 WeakPolarHBondContact O-CA 3.24Å; E293-Q295 VanDerWaalsContact C-N 3.25Å; E293-Q295 PolarHBondContact O-N 3.37Å
296T98Very high97.8Very high4 Ų427.9 Ų27.93%0.02514%0.138CC..EExtended strand (participates in β ladder)trans-156.9159.6177.3-1800000111.6K55 A256 I257 C258 M289 E293 G298 E303K55-T296 VanDerWaalsContact CE-OG1 3.23Å; K55-T296 WeakPolarHBondContact CE-OG1 3.28Å; K55-T296 PolarHBondContact NZ-OG1 3.28Å; A256-T296 PolarHBondContact O-N 3.1Å; A256-T296 VanDerWaalsContact O-N 3.14Å; I257-T296 CarbonylContact C-O 3.34Å; I257-T296 VanDerWaalsContact CA-O 3.28Å; I257-T296 WeakPolarHBondContact CA-O 3.2Å; I257-T296 HydrophobicContact CD1-CG2 3.66Å; C258-T296 PolarHBondContact N-O 2.85Å; M289-T296 HydrophobicContact CB-CG2 4.23Å; E293-T296 HydrophobicContact CB-CG2 4.33Å; T296-G298 PolarHBondContact O-N 2.98Å; T296-G298 PolarHBondContact OG1-N 3.4Å; T296-E303 PolarHBondContact OG1-OE2 3.01Å
297S97.9Very high97.6Very high7 Ų729 Ų295%0.04914%0.142CC..  trans-67.7-13.5167.466.10000114.5C258 Y282 Y299 E303C258-S297 WeakPolarHBondContact O-CA 3.35Å; Y282-S297 WeakPolarHBondContact CE2-O 3.47Å; Y282-S297 PolarHBondContact OH-O 3.47Å; S297-Y299 PolarHBondContact O-N 2.58Å; S297-Y299 PolarHBondContact OG-O 3.16Å; S297-Y299 VanDerWaalsContact OG-O 3.13Å; S297-E303 VanDerWaalsContact CB-OE2 3.27Å; S297-E303 WeakPolarHBondContact CB-OE2 3.45Å; S297-E303 PolarHBondContact N-OE2 2.67Å; S297-E303 WeakPolarHBondContact OG-CB 3.45Å; S297-E303 PolarHBondContact OG-N 2.88Å; S297-E303 VanDerWaalsContact OG-N 3.11Å; S297-E303 PolarHBondContact OG-OE2 3.45Å
298G97.8Very high97.5Very high0 Ų033 Ų330%016%0.163CC..SBendtrans74.4-6.4-177.900000114.3N285 A286 T296N285-G298 CarbonylContact C-O 3.54Å; A286-G298 WeakPolarHBondContact CA-O 3.29Å; A286-G298 PolarHBondContact N-O 2.98Å; A286-G298 VanDerWaalsContact N-O 3.12Å; T296-G298 PolarHBondContact O-N 2.98Å; T296-G298 PolarHBondContact OG1-N 3.4Å
299Y98.4Very high97.3Very high16 Ų1634.1 Ų34.16%0.06317%0.166CC..SBendtrans-144123.1-176.4-179.3-131.2000110.8P277 V281 Y282 N285 S297 R301 H302 E303P277-Y299 HydrophobicContact CB-CE1 3.94Å; P277-Y299 HydrophobicContact CG-CD1 3.91Å; P277-Y299 HydrophobicContact CG-CE1 3.7Å; V281-Y299 HydrophobicContact CG1-CE2 4.42Å; Y282-Y299 HydrophobicContact CD2-CG 4.33Å; N285-Y299 HydrophobicContact CB-CD2 3.89Å; S297-Y299 PolarHBondContact O-N 2.58Å; S297-Y299 PolarHBondContact OG-O 3.16Å; S297-Y299 VanDerWaalsContact OG-O 3.13Å; Y299-R301 HydrophobicContact CD1-CB 4.11Å; Y299-R301 HydrophobicContact CE1-CB 3.65Å; Y299-R301 HydrophobicContact CE1-CG 4.09Å; Y299-R301 PolarHBondContact O-N 3.36Å; Y299-R301 VanDerWaalsContact O-N 3.09Å; Y299-R301 WeakPolarHBondContact OH-CD 3.48Å; Y299-R301 PolarHBondContact OH-NH1 3.3Å; Y299-H302 HydrophobicContact CD1-CB 4.29Å; Y299-H302 AromaticContact CD1-CD2 3.59Å; Y299-H302 AromaticContact CD1-CG 3.74Å; Y299-H302 AromaticContact CD1-NE2 3.89Å; Y299-H302 WeakPolarHBondContact O-CA 3.31Å; Y299-H302 VanDerWaalsContact O-CB 3.31Å; Y299-H302 WeakPolarHBondContact O-CB 3.32Å; Y299-H302 PolarHBondContact O-N 3.28Å; Y299-E303 PolarHBondContact O-N 3.42Å
300F98.1Very high97.1Very high68 Ų6836.6 Ų36.630%0.29818%0.183SC..Hα-helixtrans-48.6-44.3-174.4169-105.1000113.4I52 F56 H302 E303 L304I52-F300 HydrophobicContact CG2-CD2 3.87Å; I52-F300 HydrophobicContact CG2-CE2 3.81Å; F56-F300 HydrophobicContact CB-CB 4.06Å; F56-F300 HydrophobicContact CB-CD2 4Å; F56-F300 HydrophobicContact CB-CG 4.43Å; F56-F300 HydrophobicContact CD1-CB 3.99Å; F56-F300 HydrophobicContact CD2-CB 4.16Å; F56-F300 AromaticContact CD2-CD2 3.98Å; F56-F300 HydrophobicContact CD2-CD2 3.98Å; F56-F300 HydrophobicContact CE1-CB 4.5Å; F56-F300 HydrophobicContact CG-CB 3.8Å; F56-F300 HydrophobicContact CG-CD2 4.13Å; F56-F300 HydrophobicContact CG-CG 4.47Å; F300-H302 VanDerWaalsContact C-N 3.33Å; F300-H302 PolarHBondContact O-N 2.87Å; F300-E303 PolarHBondContact O-N 3.49Å; F300-L304 PolarHBondContact O-N 3.44Å
301R98.1Very high96.9Very high87 Ų8740.5 Ų40.533%0.32820%0.203SC..Hα-helixtrans-71.2-29.3-178.8-54.3-173-174.3164.7-1.9112.6F274 F275 Y299 K305F274-R301 HydrophobicContact CE1-CG 4.29Å; F274-R301 HydrophobicContact CZ-CG 4.29Å; F274-R301 WeakPolarHBondContact O-CD 3.4Å; F274-R301 PolarHBondContact O-NH1 3.44Å; F275-R301 HydrophobicContact CD1-CB 4.14Å; F275-R301 WeakPolarHBondContact CD1-O 3.2Å; Y299-R301 HydrophobicContact CD1-CB 4.11Å; Y299-R301 HydrophobicContact CE1-CB 3.65Å; Y299-R301 HydrophobicContact CE1-CG 4.09Å; Y299-R301 PolarHBondContact O-N 3.36Å; Y299-R301 VanDerWaalsContact O-N 3.09Å; Y299-R301 WeakPolarHBondContact OH-CD 3.48Å; Y299-R301 PolarHBondContact OH-NH1 3.3Å; R301-K305 WeakPolarHBondContact O-CB 3.41Å; R301-K305 PolarHBondContact O-N 3.22Å
302H98.3Very high96.8Very high0 Ų042.1 Ų42.10%021%0.206CC..Hα-helixtrans-67.6-43.8169.7-75.7-177.5000111.1L260 F261 F275 P277 Y282 Y299 F300 L304 K305 A306L260-H302 HydrophobicContact CB-CB 4.44Å; L260-H302 HydrophobicContact CD1-CB 3.86Å; L260-H302 PolarHBondContact N-CE1 3.33Å; L260-H302 PolarHBondContact N-ND1 3.32Å; L260-H302 VanDerWaalsContact N-ND1 3.14Å; F261-H302 PolarHBondContact O-NE2 2.62Å; F275-H302 PolarHBondContact O-CD2 2.93Å; F275-H302 VanDerWaalsContact O-CD2 3.26Å; F275-H302 PolarHBondContact O-NE2 3.24Å; F275-H302 VanDerWaalsContact O-NE2 3.13Å; P277-H302 WeakPolarHBondContact CD-NE2 3.46Å; Y282-H302 AromaticContact CD2-CE1 3.91Å; Y282-H302 AromaticContact CE2-CE1 3.78Å; Y282-H302 AromaticContact CE2-ND1 3.54Å; Y299-H302 HydrophobicContact CD1-CB 4.29Å; Y299-H302 AromaticContact CD1-CD2 3.59Å; Y299-H302 AromaticContact CD1-CG 3.74Å; Y299-H302 AromaticContact CD1-NE2 3.89Å; Y299-H302 WeakPolarHBondContact O-CA 3.31Å; Y299-H302 VanDerWaalsContact O-CB 3.31Å; Y299-H302 WeakPolarHBondContact O-CB 3.32Å; Y299-H302 PolarHBondContact O-N 3.28Å; F300-H302 VanDerWaalsContact C-N 3.33Å; F300-H302 PolarHBondContact O-N 2.87Å; H302-L304 VanDerWaalsContact C-N 3.33Å; H302-L304 PolarHBondContact O-N 3.16Å; H302-K305 PolarHBondContact O-N 3.17Å; H302-A306 WeakPolarHBondContact O-CB 3.25Å; H302-A306 PolarHBondContact O-N 2.99Å
303E98Very high96.7Very high38 Ų3845.5 Ų45.518%0.17823%0.228CC..Hα-helixtrans-62.1-42.7177.7-154.988.9176.200111.3I52 K55 F56 T296 S297 Y299 F300 A306 Y307I52-E303 HydrophobicContact CD1-CG 4.32Å; I52-E303 HydrophobicContact CG1-CG 4.07Å; I52-E303 HydrophobicContact CG2-CB 3.98Å; I52-E303 HydrophobicContact CG2-CG 3.98Å; K55-E303 IonicContact NZ-OE1 2.8Å; K55-E303 PolarHBondContact NZ-OE1 3.03Å; K55-E303 IonicContact NZ-OE2 3.75Å; F56-E303 HydrophobicContact CE2-CB 3.55Å; F56-E303 HydrophobicContact CE2-CG 3.78Å; F56-E303 HydrophobicContact CZ-CB 4Å; F56-E303 HydrophobicContact CZ-CG 4.42Å; T296-E303 PolarHBondContact OG1-OE2 3.01Å; S297-E303 VanDerWaalsContact CB-OE2 3.27Å; S297-E303 WeakPolarHBondContact CB-OE2 3.45Å; S297-E303 PolarHBondContact N-OE2 2.67Å; S297-E303 WeakPolarHBondContact OG-CB 3.45Å; S297-E303 PolarHBondContact OG-N 2.88Å; S297-E303 VanDerWaalsContact OG-N 3.11Å; S297-E303 PolarHBondContact OG-OE2 3.45Å; Y299-E303 PolarHBondContact O-N 3.42Å; F300-E303 PolarHBondContact O-N 3.49Å; E303-A306 PolarHBondContact O-N 3.22Å; E303-Y307 WeakPolarHBondContact O-CB 3.47Å; E303-Y307 PolarHBondContact O-N 3.41Å
304L97.4Very high96.6Very high37 Ų3747.6 Ų47.619%0.19424%0.244CC..Hα-helixtrans-61.3-45.3174.7-177.961.9000111.6F300 H302 Y307 L308F300-L304 PolarHBondContact O-N 3.44Å; H302-L304 VanDerWaalsContact C-N 3.33Å; H302-L304 PolarHBondContact O-N 3.16Å; L304-Y307 WeakPolarHBondContact O-CB 3.46Å; L304-Y307 PolarHBondContact O-N 2.91Å; L304-L308 WeakPolarHBondContact O-CG 3.5Å; L304-L308 PolarHBondContact O-N 2.99Å
305K96.8Very high96.5Very high34 Ų3447.4 Ų47.415%0.14825%0.253CS..Hα-helixtrans-66.1-40178-174.4168.3177.2179.90112.4L260 F275 R301 H302 Y307 L308 Y309L260-K305 HydrophobicContact CD2-CB 3.97Å; L260-K305 HydrophobicContact CD2-CD 3.69Å; L260-K305 HydrophobicContact CD2-CG 3.69Å; F275-K305 HydrophobicContact CB-CD 3.75Å; F275-K305 HydrophobicContact CD1-CB 3.71Å; F275-K305 HydrophobicContact CD1-CD 3.88Å; F275-K305 HydrophobicContact CD1-CG 4.27Å; F275-K305 HydrophobicContact CD2-CD 4.18Å; F275-K305 HydrophobicContact CE1-CB 3.83Å; F275-K305 HydrophobicContact CE1-CD 4.49Å; F275-K305 HydrophobicContact CE1-CG 4.49Å; F275-K305 HydrophobicContact CG-CB 4.4Å; F275-K305 HydrophobicContact CG-CD 3.69Å; R301-K305 WeakPolarHBondContact O-CB 3.41Å; R301-K305 PolarHBondContact O-N 3.22Å; H302-K305 PolarHBondContact O-N 3.17Å; K305-Y307 VanDerWaalsContact C-N 3.29Å; K305-Y307 PolarHBondContact O-N 3.29Å; K305-L308 PolarHBondContact O-N 3.07Å; K305-Y309 HydrophobicContact CD-CE2 4.25Å; K305-Y309 WeakPolarHBondContact CE-OH 3.44Å; K305-Y309 HydrophobicContact CG-CD2 4.16Å; K305-Y309 HydrophobicContact CG-CE2 3.8Å; K305-Y309 WeakPolarHBondContact O-CD2 3.35Å; K305-Y309 PolarHBondContact O-N 3.08Å
306A96.9Very high96.4Very high18 Ų1847.1 Ų47.115%0.14926%0.256CS..Hα-helixtrans-60.3-41.9173.400000111.1Y217 L260 H302 E303 Y309 S310Y217-A306 HydrophobicContact CD2-CB 3.91Å; Y217-A306 HydrophobicContact CE2-CB 3.52Å; L260-A306 HydrophobicContact CD1-CB 4.29Å; H302-A306 WeakPolarHBondContact O-CB 3.25Å; H302-A306 PolarHBondContact O-N 2.99Å; E303-A306 PolarHBondContact O-N 3.22Å; A306-Y309 PolarHBondContact O-N 3.43Å; A306-S310 PolarHBondContact O-N 2.98Å
307Y96.4Very high96.2Very high25 Ų2547.2 Ų47.210%0.09826%0.256CS..Hα-helixtrans-62.6-46.3173.8176.1-109.6000112.3K45 Q48 V49 I52 E303 L304 K305 Y309 S310 L311K45-Y307 VanDerWaalsContact C-OH 3.28Å; K45-Y307 VanDerWaalsContact CA-OH 3.24Å; K45-Y307 WeakPolarHBondContact CA-OH 3.46Å; K45-Y307 VanDerWaalsContact CB-OH 3.25Å; K45-Y307 WeakPolarHBondContact CB-OH 3.3Å; K45-Y307 WeakPolarHBondContact CD-OH 3.4Å; K45-Y307 PolarHBondContact O-OH 3.41Å; Q48-Y307 HydrophobicContact CB-CD2 4.25Å; Q48-Y307 HydrophobicContact CB-CE2 3.58Å; Q48-Y307 HydrophobicContact CG-CE2 4.17Å; V49-Y307 HydrophobicContact CG2-CD1 3.92Å; V49-Y307 HydrophobicContact CG2-CE1 3.41Å; V49-Y307 VanDerWaalsContact CG2-CE1 3.41Å; I52-Y307 HydrophobicContact CD1-CD1 4.46Å; I52-Y307 HydrophobicContact CD1-CD2 4.48Å; I52-Y307 HydrophobicContact CD1-CG 3.94Å; E303-Y307 WeakPolarHBondContact O-CB 3.47Å; E303-Y307 PolarHBondContact O-N 3.41Å; L304-Y307 WeakPolarHBondContact O-CB 3.46Å; L304-Y307 PolarHBondContact O-N 2.91Å; K305-Y307 VanDerWaalsContact C-N 3.29Å; K305-Y307 PolarHBondContact O-N 3.29Å; Y307-Y309 VanDerWaalsContact C-N 3.3Å; Y307-Y309 PolarHBondContact O-N 3.12Å; Y307-S310 WeakPolarHBondContact O-CA 3.44Å; Y307-S310 VanDerWaalsContact O-CB 3.31Å; Y307-S310 WeakPolarHBondContact O-CB 3.47Å; Y307-S310 PolarHBondContact O-N 3.46Å; Y307-S310 PolarHBondContact O-OG 2.99Å; Y307-L311 HydrophobicContact CE1-CD1 4.28Å; Y307-L311 HydrophobicContact CE1-CD2 4.4Å; Y307-L311 HydrophobicContact CE2-CD2 4.15Å; Y307-L311 PolarHBondContact O-N 3.37Å
308L95.3Very high96.1Very high82 Ų8248.4 Ų48.443%0.42926%0.261SS..Hα-helixtrans-58.2-41.7175.3-68.8173.8000111.9F275 L304 K305 S310 L311F275-L308 HydrophobicContact CZ-CD1 4.49Å; L304-L308 WeakPolarHBondContact O-CG 3.5Å; L304-L308 PolarHBondContact O-N 2.99Å; K305-L308 PolarHBondContact O-N 3.07Å; L308-S310 VanDerWaalsContact C-N 3.27Å; L308-S310 PolarHBondContact O-N 3.14Å; L308-L311 HydrophobicContact CD2-CD1 4.3Å; L308-L311 WeakPolarHBondContact O-CB 3.28Å; L308-L311 PolarHBondContact O-N 2.91Å
309Y94.9Very high96Very high55 Ų5557.1 Ų57.122%0.21629%0.294CS..Hα-helixtrans-66-28.1173.3-73.7-39.8000113.4Y217 L260 K305 A306 Y307 L311 L312 F317Y217-Y309 AromaticContact CE1-CD2 3.97Å; Y217-Y309 HydrophobicContact CE1-CD2 3.97Å; Y217-Y309 WeakPolarHBondContact OH-CB 3.3Å; L260-Y309 HydrophobicContact CD2-CD2 4.49Å; L260-Y309 HydrophobicContact CD2-CE2 4.21Å; K305-Y309 HydrophobicContact CD-CE2 4.25Å; K305-Y309 WeakPolarHBondContact CE-OH 3.44Å; K305-Y309 HydrophobicContact CG-CD2 4.16Å; K305-Y309 HydrophobicContact CG-CE2 3.8Å; K305-Y309 WeakPolarHBondContact O-CD2 3.35Å; K305-Y309 PolarHBondContact O-N 3.08Å; A306-Y309 PolarHBondContact O-N 3.43Å; Y307-Y309 VanDerWaalsContact C-N 3.3Å; Y307-Y309 PolarHBondContact O-N 3.12Å; Y309-L311 PolarHBondContact O-N 3.35Å; Y309-L312 HydrophobicContact CD1-CD1 4.1Å; Y309-L312 PolarHBondContact O-N 3.33Å; Y309-F317 HydrophobicContact CD1-CD2 4.05Å; Y309-F317 HydrophobicContact CD1-CE2 4.09Å; Y309-F317 HydrophobicContact CD2-CE2 4.09Å; Y309-F317 HydrophobicContact CG-CD2 4.08Å; Y309-F317 AromaticContact CG-CE2 3.82Å; Y309-F317 HydrophobicContact CG-CE2 3.82Å
310S93.8Very high95.7Very high51 Ų5159.1 Ų59.136%0.35731%0.305SS..Hα-helixtrans-70.9-16.3175.983.60000113.8A306 Y307 L308 L312A306-S310 PolarHBondContact O-N 2.98Å; Y307-S310 WeakPolarHBondContact O-CA 3.44Å; Y307-S310 VanDerWaalsContact O-CB 3.31Å; Y307-S310 WeakPolarHBondContact O-CB 3.47Å; Y307-S310 PolarHBondContact O-N 3.46Å; Y307-S310 PolarHBondContact O-OG 2.99Å; L308-S310 VanDerWaalsContact C-N 3.27Å; L308-S310 PolarHBondContact O-N 3.14Å; S310-L312 VanDerWaalsContact C-N 3.31Å
311L93.9Very high95.4Very high82 Ų8256.7 Ų56.743%0.42930%0.295SS..THydrogen-bonded Turntrans-77.8-18.8174.5-57.7179.2000112.4K45 Y307 L308 Y309K45-L311 HydrophobicContact CD-CD2 3.77Å; K45-L311 HydrophobicContact CG-CD2 4.44Å; Y307-L311 HydrophobicContact CE1-CD1 4.28Å; Y307-L311 HydrophobicContact CE1-CD2 4.4Å; Y307-L311 HydrophobicContact CE2-CD2 4.15Å; Y307-L311 PolarHBondContact O-N 3.37Å; L308-L311 HydrophobicContact CD2-CD1 4.3Å; L308-L311 WeakPolarHBondContact O-CB 3.28Å; L308-L311 PolarHBondContact O-N 2.91Å; Y309-L311 PolarHBondContact O-N 3.35Å
312L94.2Very high95.1Very high60 Ų6058.7 Ų58.731%0.31430%0.303SS..SBendtrans-83.2139.3-179.5-58.2178.1000110.7Y309 S310 V316 I320Y309-L312 HydrophobicContact CD1-CD1 4.1Å; Y309-L312 PolarHBondContact O-N 3.33Å; S310-L312 VanDerWaalsContact C-N 3.31Å; L312-V316 HydrophobicContact CD2-CG1 4.38Å; L312-I320 HydrophobicContact CD1-CD1 3.58Å
313P94.6Very high94.7Very high80 Ų8064 Ų6452%0.51933%0.33SS..  trans-55.1144.4165.3-23.433.1000111S315 V316 F317P313-S315 PolarHBondContact O-N 2.91Å; P313-S315 VanDerWaalsContact O-N 3.14Å; P313-V316 HydrophobicContact CB-CG2 4.18Å; P313-V316 HydrophobicContact CG-CG2 4.19Å; P313-V316 WeakPolarHBondContact O-CB 3.41Å; P313-V316 PolarHBondContact O-N 3.39Å; P313-F317 PolarHBondContact O-N 3.02Å
314T94.2Very high94.2Very high96 Ų9665.4 Ų65.459%0.58934%0.341SS*.Hα-helixtrans-53.6-39.1-177.6-57.70000112.7V316 F317 I318T314-V316 PolarHBondContact O-N 2.98Å; T314-F317 PolarHBondContact O-N 2.9Å; T314-I318 HydrophobicContact CG2-CD1 3.81Å; T314-I318 HydrophobicContact CG2-CG1 4.37Å; T314-I318 WeakPolarHBondContact O-CB 3.48Å; T314-I318 VanDerWaalsContact O-CG1 3.28Å; T314-I318 WeakPolarHBondContact O-CG1 3.33Å; T314-I318 PolarHBondContact O-N 3.33Å
315S95Very high93.5Very high87 Ų8763.8 Ų63.861%0.60833%0.333SS*.Hα-helixtrans-61.9-40.8176.854.60000112.8P313 R319P313-S315 PolarHBondContact O-N 2.91Å; P313-S315 VanDerWaalsContact O-N 3.14Å; S315-R319 WeakPolarHBondContact O-CB 3.44Å; S315-R319 PolarHBondContact O-N 3.22Å
316V95.8Very high92.7Very high62 Ų6267.5 Ų67.538%0.37635%0.35SS..Hα-helixtrans-69-45.9176.9178.70000110.4L312 P313 T314 I318 R319 I320L312-V316 HydrophobicContact CD2-CG1 4.38Å; P313-V316 HydrophobicContact CB-CG2 4.18Å; P313-V316 HydrophobicContact CG-CG2 4.19Å; P313-V316 WeakPolarHBondContact O-CB 3.41Å; P313-V316 PolarHBondContact O-N 3.39Å; T314-V316 PolarHBondContact O-N 2.98Å; V316-I318 PolarHBondContact O-N 3.47Å; V316-R319 WeakPolarHBondContact O-CB 3.2Å; V316-R319 PolarHBondContact O-N 2.95Å; V316-R319 VanDerWaalsContact O-N 3.16Å; V316-I320 HydrophobicContact CG1-CD1 4.24Å; V316-I320 WeakPolarHBondContact O-CG1 3.46Å; V316-I320 PolarHBondContact O-N 3.14Å
317F94.9Very high91.8Very high7 Ų769.6 Ų69.63%0.03136%0.363CS..Hα-helixtrans-56.6-49.7175.5176-96.9000111.5Y217 K221 V222 F223 Y309 P313 T314 R319 I320 I321Y217-F317 HydrophobicContact CE1-CE2 4.25Å; Y217-F317 HydrophobicContact CE1-CZ 4.1Å; K221-F317 HydrophobicContact CB-CE1 3.83Å; K221-F317 HydrophobicContact CB-CZ 4.09Å; K221-F317 HydrophobicContact CG-CE1 4.33Å; K221-F317 HydrophobicContact CG-CZ 4.28Å; V222-F317 WeakPolarHBondContact O-CE1 3.45Å; F223-F317 HydrophobicContact CD2-CE1 4.46Å; F223-F317 HydrophobicContact CD2-CZ 4.47Å; F223-F317 HydrophobicContact CE2-CE1 4.16Å; F223-F317 AromaticContact CE2-CZ 3.74Å; F223-F317 HydrophobicContact CE2-CZ 3.74Å; F223-F317 AromaticContact CZ-CZ 3.91Å; F223-F317 HydrophobicContact CZ-CZ 3.91Å; Y309-F317 HydrophobicContact CD1-CD2 4.05Å; Y309-F317 HydrophobicContact CD1-CE2 4.09Å; Y309-F317 HydrophobicContact CD2-CE2 4.09Å; Y309-F317 HydrophobicContact CG-CD2 4.08Å; Y309-F317 AromaticContact CG-CE2 3.82Å; Y309-F317 HydrophobicContact CG-CE2 3.82Å; P313-F317 PolarHBondContact O-N 3.02Å; T314-F317 PolarHBondContact O-N 2.9Å; F317-R319 VanDerWaalsContact C-N 3.29Å; F317-R319 PolarHBondContact O-N 3.44Å; F317-I320 PolarHBondContact O-N 2.83Å; F317-I320 VanDerWaalsContact O-N 3.14Å; F317-I321 HydrophobicContact CD1-CG1 4.19Å; F317-I321 HydrophobicContact CE1-CD1 4.41Å; F317-I321 HydrophobicContact CE1-CG1 3.69Å; F317-I321 HydrophobicContact CE2-CD1 4.07Å; F317-I321 HydrophobicContact CE2-CG1 4.08Å; F317-I321 HydrophobicContact CZ-CD1 3.84Å; F317-I321 HydrophobicContact CZ-CG1 3.63Å; F317-I321 WeakPolarHBondContact O-CG1 3.47Å; F317-I321 PolarHBondContact O-N 3.23Å
318I95.2Very high90.5Very high31 Ų3171.4 Ų71.416%0.15938%0.377CS..Hα-helixtrans-58-42.5176.9-73.9172000110.8V222 P224 T314 V316 I320 I321 R322V222-I318 HydrophobicContact CB-CD1 4.19Å; V222-I318 HydrophobicContact CB-CG1 4.33Å; V222-I318 HydrophobicContact CG1-CD1 4Å; V222-I318 HydrophobicContact CG1-CG1 4.28Å; P224-I318 HydrophobicContact CG-CG2 3.95Å; T314-I318 HydrophobicContact CG2-CD1 3.81Å; T314-I318 HydrophobicContact CG2-CG1 4.37Å; T314-I318 WeakPolarHBondContact O-CB 3.48Å; T314-I318 VanDerWaalsContact O-CG1 3.28Å; T314-I318 WeakPolarHBondContact O-CG1 3.33Å; T314-I318 PolarHBondContact O-N 3.33Å; V316-I318 PolarHBondContact O-N 3.47Å; I318-I320 VanDerWaalsContact C-N 3.35Å; I318-I320 PolarHBondContact O-N 3.17Å; I318-I321 PolarHBondContact O-N 2.91Å; I318-R322 HydrophobicContact CG2-CG 4.38Å; I318-R322 VanDerWaalsContact O-CG 3.3Å; I318-R322 WeakPolarHBondContact O-CG 3.33Å; I318-R322 PolarHBondContact O-N 2.95Å
319R94.9Very high89.1Confident184 Ų18469.9 Ų69.969%0.69437%0.369SS*.Hα-helixtrans-61.2-42.6177.3-172.1172.7-179.2163.8-0.6111.8S315 V316 F317 R322 L323S315-R319 WeakPolarHBondContact O-CB 3.44Å; S315-R319 PolarHBondContact O-N 3.22Å; V316-R319 WeakPolarHBondContact O-CB 3.2Å; V316-R319 PolarHBondContact O-N 2.95Å; V316-R319 VanDerWaalsContact O-N 3.16Å; F317-R319 VanDerWaalsContact C-N 3.29Å; F317-R319 PolarHBondContact O-N 3.44Å; R319-R322 PolarHBondContact O-N 3.16Å; R319-L323 WeakPolarHBondContact O-CG 3.25Å; R319-L323 PolarHBondContact O-N 3Å; R319-L323 VanDerWaalsContact O-N 3.07Å
320I93.1Very high87.4Confident58 Ų5876 Ų7630%0.29740%0.397SS..Hα-helixtrans-62-49.1175.9-66.6168.6000110.6L312 V316 F317 I318 R322 L323 V324L312-I320 HydrophobicContact CD1-CD1 3.58Å; V316-I320 HydrophobicContact CG1-CD1 4.24Å; V316-I320 WeakPolarHBondContact O-CG1 3.46Å; V316-I320 PolarHBondContact O-N 3.14Å; F317-I320 PolarHBondContact O-N 2.83Å; F317-I320 VanDerWaalsContact O-N 3.14Å; I318-I320 VanDerWaalsContact C-N 3.35Å; I318-I320 PolarHBondContact O-N 3.17Å; I320-R322 VanDerWaalsContact C-N 3.3Å; I320-R322 PolarHBondContact O-N 3.41Å; I320-L323 PolarHBondContact O-N 3.22Å; I320-L323 VanDerWaalsContact O-N 3.12Å; I320-V324 HydrophobicContact CG2-CG2 4.49Å; I320-V324 WeakPolarHBondContact O-CG2 3.46Å; I320-V324 PolarHBondContact O-N 3.44Å
321I92Very high85.5Confident16 Ų1682.5 Ų82.58%0.08242%0.418CS..Hα-helixtrans-60.6-40.7179.4-62.1-54.5000111.2F223 F317 I318 L323 V324 A325F223-I321 HydrophobicContact CD1-CD1 4.33Å; F223-I321 HydrophobicContact CD1-CG1 4.45Å; F223-I321 HydrophobicContact CD1-CG2 3.81Å; F223-I321 HydrophobicContact CE1-CD1 3.71Å; F223-I321 HydrophobicContact CE1-CG1 4.25Å; F223-I321 HydrophobicContact CE1-CG2 4.26Å; F223-I321 HydrophobicContact CG-CG2 4.42Å; F223-I321 HydrophobicContact CZ-CD1 4.05Å; F317-I321 HydrophobicContact CD1-CG1 4.19Å; F317-I321 HydrophobicContact CE1-CD1 4.41Å; F317-I321 HydrophobicContact CE1-CG1 3.69Å; F317-I321 HydrophobicContact CE2-CD1 4.07Å; F317-I321 HydrophobicContact CE2-CG1 4.08Å; F317-I321 HydrophobicContact CZ-CD1 3.84Å; F317-I321 HydrophobicContact CZ-CG1 3.63Å; F317-I321 WeakPolarHBondContact O-CG1 3.47Å; F317-I321 PolarHBondContact O-N 3.23Å; I318-I321 PolarHBondContact O-N 2.91Å; I321-L323 VanDerWaalsContact C-N 3.33Å; I321-L323 PolarHBondContact O-N 2.83Å; I321-V324 PolarHBondContact O-N 3.27Å; I321-A325 WeakPolarHBondContact O-CB 3.32Å; I321-A325 PolarHBondContact O-N 3.31Å
322R91.4Very high83.4Confident129 Ų12985.4 Ų85.449%0.48745%0.445SS..Hα-helixtrans-61.1-40.5175.3-71.5179.1178168.4-0112.6P224 Y225 I318 R319 I320 K326P224-R322 HydrophobicContact CB-CG 4.08Å; P224-R322 HydrophobicContact CG-CG 4.02Å; Y225-R322 HydrophobicContact CE2-CB 4Å; Y225-R322 HydrophobicContact CE2-CG 3.77Å; I318-R322 HydrophobicContact CG2-CG 4.38Å; I318-R322 VanDerWaalsContact O-CG 3.3Å; I318-R322 WeakPolarHBondContact O-CG 3.33Å; I318-R322 PolarHBondContact O-N 2.95Å; R319-R322 PolarHBondContact O-N 3.16Å; I320-R322 VanDerWaalsContact C-N 3.3Å; I320-R322 PolarHBondContact O-N 3.41Å; R322-K326 WeakPolarHBondContact O-CB 3.49Å; R322-K326 VanDerWaalsContact O-CG 3.32Å; R322-K326 WeakPolarHBondContact O-CG 3.45Å; R322-K326 PolarHBondContact O-N 3.07Å
323L90.3Very high82.8Confident111 Ų11186.7 Ų86.758%0.58145%0.452SS*.Hα-helixtrans-66-42.1177.3-70171.2000111.7R319 I320 I321 K326 S327R319-L323 WeakPolarHBondContact O-CG 3.25Å; R319-L323 PolarHBondContact O-N 3Å; R319-L323 VanDerWaalsContact O-N 3.07Å; I320-L323 PolarHBondContact O-N 3.22Å; I320-L323 VanDerWaalsContact O-N 3.12Å; I321-L323 VanDerWaalsContact C-N 3.33Å; I321-L323 PolarHBondContact O-N 2.83Å; L323-K326 PolarHBondContact O-N 3.48Å; L323-S327 PolarHBondContact O-N 3.02Å
324V86.5Confident82.2Confident68 Ų6887 Ų8741%0.41245%0.449SS..Hα-helixtrans-62.1-49.2175.8174.40000110.6I320 I321 K326 S327 T328I320-V324 HydrophobicContact CG2-CG2 4.49Å; I320-V324 WeakPolarHBondContact O-CG2 3.46Å; I320-V324 PolarHBondContact O-N 3.44Å; I321-V324 PolarHBondContact O-N 3.27Å; V324-K326 PolarHBondContact O-N 3.24Å; V324-S327 WeakPolarHBondContact O-CB 3.47Å; V324-S327 PolarHBondContact O-N 2.95Å; V324-S327 VanDerWaalsContact O-N 3.08Å; V324-S327 PolarHBondContact O-OG 3.02Å; V324-T328 PolarHBondContact O-N 3.07Å; V324-T328 PolarHBondContact O-OG1 3.08Å
325A83.8Confident81.5Confident3 Ų386.5 Ų86.53%0.02544%0.441CS..Hα-helixtrans-59-44.9178.700000112.3F164 Y225 I321 S327 T328 L329F164-A325 HydrophobicContact CD1-CB 4.34Å; Y225-A325 HydrophobicContact CD2-CB 3.38Å; Y225-A325 HydrophobicContact CE2-CB 4.03Å; Y225-A325 HydrophobicContact CG-CB 4.06Å; I321-A325 WeakPolarHBondContact O-CB 3.32Å; I321-A325 PolarHBondContact O-N 3.31Å; A325-S327 VanDerWaalsContact C-N 3.27Å; A325-S327 PolarHBondContact O-N 3.07Å; A325-T328 WeakPolarHBondContact O-CB 3.36Å; A325-T328 PolarHBondContact O-N 3.05Å; A325-L329 PolarHBondContact O-N 3.23Å
326K80.6Confident80.8Confident113 Ų11386.5 Ų86.549%0.49143%0.431SS..Hα-helixtrans-61-33.6175.2-75.4-177.7178.9-1670113.2R322 L323 V324 T328 K330R322-K326 WeakPolarHBondContact O-CB 3.49Å; R322-K326 VanDerWaalsContact O-CG 3.32Å; R322-K326 WeakPolarHBondContact O-CG 3.45Å; R322-K326 PolarHBondContact O-N 3.07Å; L323-K326 PolarHBondContact O-N 3.48Å; V324-K326 PolarHBondContact O-N 3.24Å; K326-T328 VanDerWaalsContact C-N 3.3Å; K326-K330 WeakPolarHBondContact O-CG 3.27Å; K326-K330 PolarHBondContact O-N 3.06Å
327S76.2Confident79.8Confident61 Ų6188 Ų8843%0.42743%0.434SS..Hα-helixtrans-70.2-29.2176.3780000112.7L323 V324 A325L323-S327 PolarHBondContact O-N 3.02Å; V324-S327 WeakPolarHBondContact O-CB 3.47Å; V324-S327 PolarHBondContact O-N 2.95Å; V324-S327 VanDerWaalsContact O-N 3.08Å; V324-S327 PolarHBondContact O-OG 3.02Å; A325-S327 VanDerWaalsContact C-N 3.27Å; A325-S327 PolarHBondContact O-N 3.07Å
328T69.9Low78.8Confident64 Ų6493.4 Ų93.439%0.39346%0.461SS..Hα-helixtrans-76.3-43.6175-49.10000111V324 A325 K326 K330 K331 S332V324-T328 PolarHBondContact O-N 3.07Å; V324-T328 PolarHBondContact O-OG1 3.08Å; A325-T328 WeakPolarHBondContact O-CB 3.36Å; A325-T328 PolarHBondContact O-N 3.05Å; K326-T328 VanDerWaalsContact C-N 3.3Å; T328-K330 PolarHBondContact O-N 3.41Å; T328-K331 PolarHBondContact O-N 3.09Å; T328-S332 PolarHBondContact O-N 3.09Å
329L66.8Low77.6Confident49 Ų4997.9 Ų97.926%0.25748%0.483SS..Hα-helixtrans-59.4-30.5176-77.9171.5000113.7F164 A325 K331 S332F164-L329 WeakPolarHBondContact O-CD1 3.32Å; F164-L329 VanDerWaalsContact O-CD2 3.25Å; F164-L329 WeakPolarHBondContact O-CD2 3.44Å; F164-L329 WeakPolarHBondContact O-CG 3.12Å; A325-L329 PolarHBondContact O-N 3.23Å; L329-K331 VanDerWaalsContact C-N 3.25Å; L329-K331 PolarHBondContact O-N 2.86Å; L329-S332 PolarHBondContact O-OG 2.69Å; L329-S332 VanDerWaalsContact O-OG 3.07Å
330K58.5Low76.3Confident184 Ų18491.2 Ų91.280%0.847%0.466SS*.THydrogen-bonded Turntrans-76.2-10.2176-75-176.6177.3-168.50114K326 T328K326-K330 WeakPolarHBondContact O-CG 3.27Å; K326-K330 PolarHBondContact O-N 3.06Å; T328-K330 PolarHBondContact O-N 3.41Å
331K54.4Low74.9Confident187 Ų18794 Ų9481%0.81348%0.481SS*.THydrogen-bonded Turntrans-103.7-17.8-177.7-72.3-177.4177.2-174.20113.4T328 L329T328-K331 PolarHBondContact O-N 3.09Å; L329-K331 VanDerWaalsContact C-N 3.25Å; L329-K331 PolarHBondContact O-N 2.86Å
332S48.5Very low73.3Confident143 Ų143101.1 Ų101.1100%152%0.517SS*.  trans-83.80172.354.30000110.5T328 L329T328-S332 PolarHBondContact O-N 3.09Å; L329-S332 PolarHBondContact O-OG 2.69Å; L329-S332 VanDerWaalsContact O-OG 3.07Å

Retrieved 332 of 332 residues in 176.3 ms (Link to these results)

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