G4LVI8_SCHMA Loading...

Adenylyl cyclase-associated protein

AlphaFold DB , UniProt , Accession G4LVI8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 478 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
1M56Low79.1Confident205 Ų205128.3 Ų128.3100%1.0163%0.626SS**  0-46.60-76.8-168.8-81.500111.6R3 L4 D5M1-R3 PolarHBondContact O-N 3.24Å; M1-L4 WeakPolarHBondContact O-CB 3.35Å; M1-L4 PolarHBondContact O-N 3.4Å; M1-D5 PolarHBondContact O-N 3.46Å
2E64.2Low79.8Confident170 Ų170127.5 Ų127.579%0.79462%0.62SS**Hα-helixtrans-49.6-35.8178.9-64.6176.8164.600115.9L4 D5 S6E2-L4 VanDerWaalsContact C-N 3.28Å; E2-L4 PolarHBondContact O-N 3.38Å; E2-D5 PolarHBondContact O-N 3.38Å; E2-S6 PolarHBondContact O-N 3.5Å; E2-S6 VanDerWaalsContact O-N 3.1Å
3R72.2Confident80.1Confident217 Ų217128 Ų12882%0.81962%0.617SS**Hα-helixtrans-66.4-29.2177.5-160.7174-175.4175.81.3112.9M1 L7M1-R3 PolarHBondContact O-N 3.24Å; R3-L7 WeakPolarHBondContact O-CD1 3.39Å; R3-L7 VanDerWaalsContact O-CG 3.28Å; R3-L7 WeakPolarHBondContact O-CG 3.28Å; R3-L7 PolarHBondContact O-N 3.1Å
4L78.6Confident80.3Confident118 Ų118124.4 Ų124.462%0.61861%0.607SS**Hα-helixtrans-78.1-41.4178.5-156.674.2000110.8M1 E2 S6 L7 L8M1-L4 WeakPolarHBondContact O-CB 3.35Å; M1-L4 PolarHBondContact O-N 3.4Å; E2-L4 VanDerWaalsContact C-N 3.28Å; E2-L4 PolarHBondContact O-N 3.38Å; L4-S6 VanDerWaalsContact C-N 3.35Å; L4-S6 PolarHBondContact O-N 3.33Å; L4-L7 WeakPolarHBondContact O-CB 3.28Å; L4-L7 PolarHBondContact O-N 3.46Å; L4-L7 VanDerWaalsContact O-N 3.17Å; L4-L8 PolarHBondContact O-N 3.04Å
5D84.3Confident80.6Confident101 Ų101120.4 Ų120.454%0.5459%0.593SS.*Hα-helixtrans-64.1-39.9176.8-61.5-41.2000111.8M1 E2 L7 L8 C9M1-D5 PolarHBondContact O-N 3.46Å; E2-D5 PolarHBondContact O-N 3.38Å; D5-L7 VanDerWaalsContact C-N 3.33Å; D5-L7 PolarHBondContact O-N 3.39Å; D5-L8 PolarHBondContact O-N 3.37Å; D5-C9 WeakPolarHBondContact O-CB 3.3Å; D5-C9 PolarHBondContact O-N 3.31Å
6S84.4Confident80.6Confident69 Ų69119.6 Ų119.648%0.48359%0.59SS.*Hα-helixtrans-62.6-39.1173.6-175.90000112.4E2 L4 R10E2-S6 PolarHBondContact O-N 3.5Å; E2-S6 VanDerWaalsContact O-N 3.1Å; L4-S6 VanDerWaalsContact C-N 3.35Å; L4-S6 PolarHBondContact O-N 3.33Å; S6-R10 WeakPolarHBondContact O-CB 3.36Å; S6-R10 VanDerWaalsContact O-CG 3.28Å; S6-R10 WeakPolarHBondContact O-CG 3.28Å; S6-R10 PolarHBondContact O-N 3.1Å; S6-R10 VanDerWaalsContact O-N 3.13Å
7L84.4Confident80.5Confident97 Ų97119.8 Ų119.851%0.50859%0.593SS.*Hα-helixtrans-68.5-41.7175.9-75.9166.8000111.7R3 L4 D5 R10 L11R3-L7 WeakPolarHBondContact O-CD1 3.39Å; R3-L7 VanDerWaalsContact O-CG 3.28Å; R3-L7 WeakPolarHBondContact O-CG 3.28Å; R3-L7 PolarHBondContact O-N 3.1Å; L4-L7 WeakPolarHBondContact O-CB 3.28Å; L4-L7 PolarHBondContact O-N 3.46Å; L4-L7 VanDerWaalsContact O-N 3.17Å; D5-L7 VanDerWaalsContact C-N 3.33Å; D5-L7 PolarHBondContact O-N 3.39Å; L7-R10 PolarHBondContact O-N 3.04Å; L7-L11 WeakPolarHBondContact O-CB 3.21Å; L7-L11 PolarHBondContact O-N 2.85Å
8L87.4Confident80.2Confident89 Ų89119.4 Ų119.447%0.46659%0.593SS.*Hα-helixtrans-60.4-49175.9-114.2158.2000111.5L4 D5 R10 L11 E12L4-L8 PolarHBondContact O-N 3.04Å; D5-L8 PolarHBondContact O-N 3.37Å; L8-R10 VanDerWaalsContact C-N 3.28Å; L8-R10 PolarHBondContact O-N 3.31Å; L8-L11 WeakPolarHBondContact O-CB 3.44Å; L8-L11 PolarHBondContact O-N 3.1Å; L8-L11 VanDerWaalsContact O-N 3.07Å; L8-E12 PolarHBondContact O-N 3.18Å
9C84.7Confident80.2Confident60 Ų60119.5 Ų119.541%0.40559%0.592SS.*Hα-helixtrans-64.3-32.8179.2-166.50000112.3D5 K13D5-C9 WeakPolarHBondContact O-CB 3.3Å; D5-C9 PolarHBondContact O-N 3.31Å; C9-K13 WeakPolarHBondContact O-CG 3.3Å; C9-K13 PolarHBondContact O-N 2.91Å
10R86.6Confident79.7Confident170 Ų170116.3 Ų116.364%0.64259%0.585SS**Hα-helixtrans-70.2-39.3172.4-75.117765.2179.90112S6 L7 L8 K13 V14S6-R10 WeakPolarHBondContact O-CB 3.36Å; S6-R10 VanDerWaalsContact O-CG 3.28Å; S6-R10 WeakPolarHBondContact O-CG 3.28Å; S6-R10 PolarHBondContact O-N 3.1Å; S6-R10 VanDerWaalsContact O-N 3.13Å; L7-R10 PolarHBondContact O-N 3.04Å; L8-R10 VanDerWaalsContact C-N 3.28Å; L8-R10 PolarHBondContact O-N 3.31Å; R10-K13 PolarHBondContact O-N 2.92Å; R10-V14 VanDerWaalsContact O-CG2 3.31Å; R10-V14 WeakPolarHBondContact O-CG2 3.26Å; R10-V14 PolarHBondContact O-N 3.21Å; R10-V14 VanDerWaalsContact O-N 3.09Å
11L87.1Confident78.9Confident115 Ų115113.2 Ų113.260%0.60258%0.578SS**Hα-helixtrans-66.4-44.3179.2-160.573.9000111L7 L8 K13 V14 T15L7-L11 WeakPolarHBondContact O-CB 3.21Å; L7-L11 PolarHBondContact O-N 2.85Å; L8-L11 WeakPolarHBondContact O-CB 3.44Å; L8-L11 PolarHBondContact O-N 3.1Å; L8-L11 VanDerWaalsContact O-N 3.07Å; L11-K13 PolarHBondContact O-N 2.79Å; L11-V14 PolarHBondContact O-N 2.79Å; L11-V14 VanDerWaalsContact O-N 3.13Å; L11-T15 PolarHBondContact O-N 2.78Å; L11-T15 PolarHBondContact O-OG1 3.49Å; L11-T15 VanDerWaalsContact O-OG1 3.04Å
12E87.9Confident79.4Confident119 Ų119106.4 Ų106.456%0.55655%0.553SS**Hα-helixtrans-58.7-44.5175.3-73.8178.4168.700112.2L8 V14 T15 I16L8-E12 PolarHBondContact O-N 3.18Å; E12-V14 VanDerWaalsContact C-N 3.3Å; E12-V14 PolarHBondContact O-N 2.93Å; E12-T15 PolarHBondContact O-N 3.35Å; E12-I16 WeakPolarHBondContact O-CG1 3.39Å; E12-I16 PolarHBondContact O-N 2.84Å
13K83.8Confident79.5Confident134 Ų134102.1 Ų102.158%0.58354%0.539SS*.Hα-helixtrans-61.2-39.3175.4-76.2177-177.1176.70112.4C9 R10 L11 L17C9-K13 WeakPolarHBondContact O-CG 3.3Å; C9-K13 PolarHBondContact O-N 2.91Å; R10-K13 PolarHBondContact O-N 2.92Å; L11-K13 PolarHBondContact O-N 2.79Å; K13-L17 WeakPolarHBondContact O-CB 3.38Å; K13-L17 VanDerWaalsContact O-CG 3.31Å; K13-L17 WeakPolarHBondContact O-CG 3.37Å; K13-L17 PolarHBondContact O-N 2.85Å; K13-L17 VanDerWaalsContact O-N 3.08Å
14V82.4Confident78.1Confident77 Ų7797.6 Ų97.647%0.46753%0.531SS..Hα-helixtrans-67.7-41.3177.6169.40000110.8R10 L11 E12 L17 L18R10-V14 VanDerWaalsContact O-CG2 3.31Å; R10-V14 WeakPolarHBondContact O-CG2 3.26Å; R10-V14 PolarHBondContact O-N 3.21Å; R10-V14 VanDerWaalsContact O-N 3.09Å; L11-V14 PolarHBondContact O-N 2.79Å; L11-V14 VanDerWaalsContact O-N 3.13Å; E12-V14 VanDerWaalsContact C-N 3.3Å; E12-V14 PolarHBondContact O-N 2.93Å; V14-L17 PolarHBondContact O-N 3.28Å; V14-L18 HydrophobicContact CG1-CD1 3.69Å; V14-L18 WeakPolarHBondContact O-CB 3.39Å; V14-L18 PolarHBondContact O-N 2.8Å
15T85.4Confident76.3Confident65 Ų6597.7 Ų97.740%0.39953%0.532SS..Hα-helixtrans-61.1-46.9175.4-52.70000111.6L11 E12 L17 L18 E19L11-T15 PolarHBondContact O-N 2.78Å; L11-T15 PolarHBondContact O-OG1 3.49Å; L11-T15 VanDerWaalsContact O-OG1 3.04Å; E12-T15 PolarHBondContact O-N 3.35Å; T15-L17 VanDerWaalsContact C-N 3.31Å; T15-L17 PolarHBondContact O-N 2.85Å; T15-L18 PolarHBondContact O-N 3.49Å; T15-L18 VanDerWaalsContact O-N 3.16Å; T15-E19 HydrophobicContact CG2-CG 4.49Å; T15-E19 WeakPolarHBondContact O-CG 3.08Å; T15-E19 PolarHBondContact O-N 2.81Å
16I80.6Confident74.3Confident107 Ų107100.4 Ų100.455%0.54954%0.544SS..Hα-helixtrans-60.2-42.2177.4-67.3165.9000111.1E12 E19 A20E12-I16 WeakPolarHBondContact O-CG1 3.39Å; E12-I16 PolarHBondContact O-N 2.84Å; I16-E19 PolarHBondContact O-N 2.8Å; I16-A20 WeakPolarHBondContact O-CB 3.28Å; I16-A20 PolarHBondContact O-N 3.11Å
17L78.2Confident72.4Confident123 Ų123106 Ų10664%0.64456%0.555SS**Hα-helixtrans-67.1-37.2177.4-74.3171.5000112.4K13 V14 T15 A21K13-L17 WeakPolarHBondContact O-CB 3.38Å; K13-L17 VanDerWaalsContact O-CG 3.31Å; K13-L17 WeakPolarHBondContact O-CG 3.37Å; K13-L17 PolarHBondContact O-N 2.85Å; K13-L17 VanDerWaalsContact O-N 3.08Å; V14-L17 PolarHBondContact O-N 3.28Å; T15-L17 VanDerWaalsContact C-N 3.31Å; T15-L17 PolarHBondContact O-N 2.85Å; L17-A21 VanDerWaalsContact O-CB 3.23Å; L17-A21 WeakPolarHBondContact O-CB 3.49Å; L17-A21 PolarHBondContact O-N 3.34Å
18L75.1Confident69.9Low113 Ų113111.6 Ų111.659%0.59257%0.57SS**Hα-helixtrans-69.2-39.6175.9-93.4149.6000112.2V14 T15 A21 A22V14-L18 HydrophobicContact CG1-CD1 3.69Å; V14-L18 WeakPolarHBondContact O-CB 3.39Å; V14-L18 PolarHBondContact O-N 2.8Å; T15-L18 PolarHBondContact O-N 3.49Å; T15-L18 VanDerWaalsContact O-N 3.16Å; L18-A21 PolarHBondContact O-N 2.89Å; L18-A22 VanDerWaalsContact O-CB 3.3Å; L18-A22 WeakPolarHBondContact O-CB 3.38Å; L18-A22 PolarHBondContact O-N 2.93Å
19E80.6Confident67.3Low122 Ų122113 Ų11357%0.5758%0.582SS**Hα-helixtrans-64.1-46.5174.1-73.5176.7178.900110.8T15 I16 A21 A22 V23T15-E19 HydrophobicContact CG2-CG 4.49Å; T15-E19 WeakPolarHBondContact O-CG 3.08Å; T15-E19 PolarHBondContact O-N 2.81Å; I16-E19 PolarHBondContact O-N 2.8Å; E19-A21 VanDerWaalsContact C-N 3.3Å; E19-A21 PolarHBondContact O-N 3.46Å; E19-A22 PolarHBondContact O-N 3.34Å; E19-V23 VanDerWaalsContact O-CG2 3.29Å; E19-V23 WeakPolarHBondContact O-CG2 3.49Å; E19-V23 PolarHBondContact O-N 3.13Å
20A69.3Low64.7Low54 Ų54115.1 Ų115.145%0.44660%0.597SS.*Hα-helixtrans-61.7-38.1174.800000112.3I16 N24I16-A20 WeakPolarHBondContact O-CB 3.28Å; I16-A20 PolarHBondContact O-N 3.11Å; A20-N24 WeakPolarHBondContact O-CB 3.45Å; A20-N24 PolarHBondContact O-N 2.91Å
21A63.4Low62.1Low53 Ų53113.2 Ų113.244%0.43861%0.607SS.*Hα-helixtrans-70.1-38.9175.700000112.3L17 L18 E19 N24 N25L17-A21 VanDerWaalsContact O-CB 3.23Å; L17-A21 WeakPolarHBondContact O-CB 3.49Å; L17-A21 PolarHBondContact O-N 3.34Å; L18-A21 PolarHBondContact O-N 2.89Å; E19-A21 VanDerWaalsContact C-N 3.3Å; E19-A21 PolarHBondContact O-N 3.46Å; A21-N24 CarbonylContact O-C 3.54Å; A21-N24 PolarHBondContact O-N 2.99Å; A21-N25 VanDerWaalsContact O-CB 3.31Å; A21-N25 WeakPolarHBondContact O-CB 3.46Å; A21-N25 PolarHBondContact O-N 2.87Å
22A66.9Low59.6Low61 Ų61115.4 Ų115.450%0.50462%0.618SS.*Hα-helixtrans-64.1-42176.300000111.1L18 E19 N25 M26L18-A22 VanDerWaalsContact O-CB 3.3Å; L18-A22 WeakPolarHBondContact O-CB 3.38Å; L18-A22 PolarHBondContact O-N 2.93Å; E19-A22 PolarHBondContact O-N 3.34Å; A22-N25 PolarHBondContact O-N 3.44Å; A22-M26 PolarHBondContact O-N 3.17Å
23V65.5Low56.6Low81 Ų81118.9 Ų118.949%0.49163%0.631SS.*Hα-helixtrans-60.5-47.7172.41750000110E19 N25 M26 Y27E19-V23 VanDerWaalsContact O-CG2 3.29Å; E19-V23 WeakPolarHBondContact O-CG2 3.49Å; E19-V23 PolarHBondContact O-N 3.13Å; V23-N25 PolarHBondContact O-N 3.47Å; V23-M26 WeakPolarHBondContact O-CB 3.41Å; V23-M26 PolarHBondContact O-N 2.93Å; V23-Y27 HydrophobicContact CG1-CD2 4.42Å; V23-Y27 HydrophobicContact CG1-CE2 3.74Å; V23-Y27 WeakPolarHBondContact O-CD2 3.41Å; V23-Y27 WeakPolarHBondContact O-CE2 3.44Å
24N44.2Very low54Low121 Ų121120.6 Ų120.665%0.64765%0.645SS**Hα-helixtrans-65.8-33.3177.8-94.5-13.6000114.1A20 A21 Y27A20-N24 WeakPolarHBondContact O-CB 3.45Å; A20-N24 PolarHBondContact O-N 2.91Å; A21-N24 CarbonylContact O-C 3.54Å; A21-N24 PolarHBondContact O-N 2.99Å; N24-Y27 PolarHBondContact O-N 2.91Å
25N40.7Very low51.4Low121 Ų121121.3 Ų121.365%0.64765%0.653SS**Hα-helixtrans-77.2-26.6-179.6-144.527.3000111.7A21 A22 V23 Y27 R28A21-N25 VanDerWaalsContact O-CB 3.31Å; A21-N25 WeakPolarHBondContact O-CB 3.46Å; A21-N25 PolarHBondContact O-N 2.87Å; A22-N25 PolarHBondContact O-N 3.44Å; V23-N25 PolarHBondContact O-N 3.47Å; N25-Y27 PolarHBondContact O-N 2.82Å; N25-R28 PolarHBondContact O-N 3.22Å
26M42.3Very low48.7Very low158 Ų158123.4 Ų123.478%0.77867%0.671SS**Hα-helixtrans-62.8-22.3169.5-121.217813400112.7A22 V23A22-M26 PolarHBondContact O-N 3.17Å; V23-M26 WeakPolarHBondContact O-CB 3.41Å; V23-M26 PolarHBondContact O-N 2.93Å
27Y44.2Very low46.3Very low186 Ų186125.6 Ų125.673%0.72968%0.679SS**THydrogen-bonded Turntrans-93.46.7177.7-63.2-66.3000114.4V23 N24 N25V23-Y27 HydrophobicContact CG1-CD2 4.42Å; V23-Y27 HydrophobicContact CG1-CE2 3.74Å; V23-Y27 WeakPolarHBondContact O-CD2 3.41Å; V23-Y27 WeakPolarHBondContact O-CE2 3.44Å; N24-Y27 PolarHBondContact O-N 2.91Å; N25-Y27 PolarHBondContact O-N 2.82Å
28R31.8Very low44.3Very low215 Ų215123.6 Ų123.681%0.81168%0.675SS**  trans-104.651.2169.6-78.8-163.2-176.6-147.63.2112.9N25N25-R28 PolarHBondContact O-N 3.22Å
29T31.6Very low42.9Very low117 Ų117119.9 Ų119.972%0.71866%0.664SS**SBendtrans-145.4105.3155.646.40000111.7
30S31.8Very low41.8Very low105 Ų105118.1 Ų118.173%0.73466%0.659SS**  trans61.9136150.2-57.40000120.9I32S30-I32 PolarHBondContact O-N 3.29Å
31P32.3Very low42Very low131 Ų131119.7 Ų119.785%0.85166%0.664SS**  trans-77.5112-17430.9-31.7000110.9
32I32.6Very low42.8Very low161 Ų161119.5 Ų119.583%0.82666%0.66SS**  trans-100.2129.5171.9-63.8178.4000109.5S30S30-I32 PolarHBondContact O-N 3.29Å
33K25.2Very low43.8Very low191 Ų191117.1 Ų117.183%0.8364%0.639SS**  trans-51.7139.6-178-71.9171.5174.6175.40112.5S35K33-S35 PolarHBondContact O-N 3.43Å
34I29.5Very low44.9Very low170 Ų170114.3 Ų114.387%0.87262%0.622SS**  trans-65.492.3170.8-57.5161.2000108.2
35S27.1Very low47.1Very low92 Ų92115.1 Ų115.164%0.64362%0.62SS**  trans-89103.6165.241.90000108.7K33 E37K33-S35 PolarHBondContact O-N 3.43Å; S35-E37 VanDerWaalsContact C-N 3.31Å; S35-E37 PolarHBondContact O-N 2.98Å
36S28.9Very low49.5Very low110 Ų110111.4 Ų111.477%0.76960%0.599SS**  trans-66.985166.355.30000110
37E30.3Very low52Low152 Ų152103.9 Ų103.971%0.7156%0.562SS**  trans-102.6126.3172.3-83.6-175.915800111.6S35S35-E37 VanDerWaalsContact C-N 3.31Å; S35-E37 PolarHBondContact O-N 2.98Å
38S36.7Very low54.3Low82 Ų8299.2 Ų99.257%0.57355%0.546SS*.SBendtrans17.8129.5155.6480000120.3N40S38-N40 PolarHBondContact O-N 3.15Å
39G45.9Very low57.2Low34 Ų3495 Ų9535%0.35154%0.536SS..  trans-27.7114.2178.900000114.7P41G39-P41 WeakPolarHBondContact O-CD 3.34Å
40N58.7Low60.2Low86 Ų8690 Ų9046%0.4650%0.504SS..  trans-78.6101.7-165.1-91.2-28.9000112.3S38 S42 S43S38-N40 PolarHBondContact O-N 3.15Å; N40-S42 PolarHBondContact O-N 3.42Å; N40-S42 VanDerWaalsContact O-N 3.13Å; N40-S43 PolarHBondContact O-N 3.18Å; N40-S43 VanDerWaalsContact O-N 3.14Å
41P71.9Confident63.2Low87 Ų8785.2 Ų85.257%0.56547%0.471SS*.Hα-helixtrans-58.9-21163.826.6-36.2000111.8G39 K45G39-P41 WeakPolarHBondContact O-CD 3.34Å; P41-K45 WeakPolarHBondContact O-CB 3.34Å; P41-K45 VanDerWaalsContact O-CG 3.23Å; P41-K45 WeakPolarHBondContact O-CG 3.47Å; P41-K45 PolarHBondContact O-N 3.46Å
42S81.7Confident66Low49 Ų4983.2 Ų83.234%0.34345%0.453SS..Hα-helixtrans-63.7-40.7174.3164.10000112.7N40 K45 E46N40-S42 PolarHBondContact O-N 3.42Å; N40-S42 VanDerWaalsContact O-N 3.13Å; S42-K45 PolarHBondContact O-N 2.88Å; S42-E46 WeakPolarHBondContact O-CG 3.28Å; S42-E46 PolarHBondContact O-N 2.86Å; S42-E46 PolarHBondContact OG-OE1 2.82Å
43S86.9Confident68.9Low10 Ų1077.1 Ų77.17%0.0743%0.43CS..Hα-helixtrans-63.4-45.8178.7174.40000111N40 K45 E46 F47 Y196N40-S43 PolarHBondContact O-N 3.18Å; N40-S43 VanDerWaalsContact O-N 3.14Å; S43-K45 PolarHBondContact O-N 2.89Å; S43-E46 PolarHBondContact O-N 2.87Å; S43-F47 PolarHBondContact O-N 2.72Å; S43-Y196 WeakPolarHBondContact O-CE2 3.43Å; S43-Y196 PolarHBondContact O-OH 3.42Å; S43-Y196 PolarHBondContact OG-OH 3.21Å
44V89.6Confident72.3Confident23 Ų2369 Ų6914%0.13940%0.397CS..Hα-helixtrans-63.1-41.9177.3178.60000111.5F47 H48 I87 K88 A91V44-F47 PolarHBondContact O-N 2.67Å; V44-H48 WeakPolarHBondContact O-CB 3.45Å; V44-H48 PolarHBondContact O-N 3.1Å; V44-I87 HydrophobicContact CG2-CG2 4.25Å; V44-K88 HydrophobicContact CB-CG 4.45Å; V44-K88 HydrophobicContact CG1-CD 4.11Å; V44-K88 HydrophobicContact CG1-CG 3.51Å; V44-K88 HydrophobicContact CG2-CG 4.01Å; V44-A91 HydrophobicContact CG2-CB 4.08Å
45K90Very high75.4Confident138 Ų13861 Ų6160%0.636%0.356SS*.Hα-helixtrans-62.8-46.8178.3-76.4174.9-178.7-174.20112.3P41 S42 S43 F47 H48 E49P41-K45 WeakPolarHBondContact O-CB 3.34Å; P41-K45 VanDerWaalsContact O-CG 3.23Å; P41-K45 WeakPolarHBondContact O-CG 3.47Å; P41-K45 PolarHBondContact O-N 3.46Å; S42-K45 PolarHBondContact O-N 2.88Å; S43-K45 PolarHBondContact O-N 2.89Å; K45-F47 VanDerWaalsContact C-N 3.32Å; K45-F47 PolarHBondContact O-N 2.83Å; K45-H48 WeakPolarHBondContact O-CB 3.22Å; K45-H48 PolarHBondContact O-N 2.83Å; K45-H48 VanDerWaalsContact O-N 3.16Å; K45-E49 WeakPolarHBondContact O-CG 3.33Å; K45-E49 PolarHBondContact O-N 2.99Å
46E91Very high78.6Confident43 Ų4358.7 Ų58.720%0.20134%0.34CS..Hα-helixtrans-65.3-35.7179.2-73.1-178-148.300112S42 S43 E49 I50 Y196 K199 H200S42-E46 WeakPolarHBondContact O-CG 3.28Å; S42-E46 PolarHBondContact O-N 2.86Å; S42-E46 PolarHBondContact OG-OE1 2.82Å; S43-E46 PolarHBondContact O-N 2.87Å; E46-E49 WeakPolarHBondContact O-CB 3.32Å; E46-E49 PolarHBondContact O-N 2.94Å; E46-I50 PolarHBondContact O-N 2.95Å; E46-Y196 HydrophobicContact CB-CD2 4.19Å; E46-Y196 HydrophobicContact CB-CE2 4.35Å; E46-K199 IonicContact OE1-NZ 2.68Å; E46-K199 PolarHBondContact OE1-NZ 3.39Å; E46-K199 WeakPolarHBondContact OE2-CD 2.95Å; E46-K199 WeakPolarHBondContact OE2-CE 3.27Å; E46-K199 IonicContact OE2-NZ 2.89Å; E46-K199 PolarHBondContact OE2-NZ 3.32Å; E46-H200 IonicContact OE1-CE1 3.1Å; E46-H200 IonicContact OE1-NE2 2.79Å; E46-H200 IonicContact OE2-CD2 3.26Å; E46-H200 IonicContact OE2-CE1 2.67Å; E46-H200 IonicContact OE2-NE2 4Å; E46-H200 PolarHBondContact OE2-NE2 2.84Å
47F93.6Very high81.7Confident0 Ų058 Ų580%033%0.325CS..Hα-helixtrans-64.5-42.3172.1-168.2-91.3000111.8S43 V44 K45 E49 I50 V51 F80 Q83 E84 I87 L193 Y196S43-F47 PolarHBondContact O-N 2.72Å; V44-F47 PolarHBondContact O-N 2.67Å; K45-F47 VanDerWaalsContact C-N 3.32Å; K45-F47 PolarHBondContact O-N 2.83Å; F47-E49 PolarHBondContact O-N 2.81Å; F47-I50 WeakPolarHBondContact O-CB 3.47Å; F47-I50 PolarHBondContact O-N 2.74Å; F47-V51 HydrophobicContact CD1-CG2 4.19Å; F47-V51 HydrophobicContact CE1-CG2 3.98Å; F47-V51 PolarHBondContact O-N 3.1Å; F47-F80 HydrophobicContact CE1-CD1 4.27Å; F47-F80 WeakPolarHBondContact CE1-O 3.42Å; F47-F80 HydrophobicContact CE2-CD1 4.47Å; F47-F80 AromaticContact CZ-CD1 3.73Å; F47-F80 HydrophobicContact CZ-CD1 3.73Å; F47-F80 HydrophobicContact CZ-CE1 4.34Å; F47-Q83 HydrophobicContact CE1-CG 4.47Å; F47-Q83 HydrophobicContact CE2-CG 4.08Å; F47-Q83 HydrophobicContact CZ-CB 4.02Å; F47-Q83 HydrophobicContact CZ-CG 3.67Å; F47-Q83 VanDerWaalsContact CZ-OE1 3.32Å; F47-E84 HydrophobicContact CD1-CB 3.73Å; F47-E84 HydrophobicContact CD1-CG 3.84Å; F47-E84 HydrophobicContact CE1-CB 3.68Å; F47-E84 HydrophobicContact CE1-CG 4.31Å; F47-I87 HydrophobicContact CB-CD1 4.45Å; F47-I87 HydrophobicContact CD1-CD1 4.17Å; F47-I87 HydrophobicContact CD2-CD1 3.49Å; F47-I87 VanDerWaalsContact CD2-CD1 3.49Å; F47-I87 HydrophobicContact CE1-CD1 4.31Å; F47-I87 HydrophobicContact CE2-CD1 3.63Å; F47-I87 HydrophobicContact CG-CD1 3.76Å; F47-I87 HydrophobicContact CZ-CD1 4.04Å; F47-L193 HydrophobicContact CE2-CD1 3.92Å; F47-Y196 HydrophobicContact CB-CD2 4.47Å; F47-Y196 HydrophobicContact CB-CE1 4.35Å; F47-Y196 HydrophobicContact CB-CE2 3.89Å; F47-Y196 AromaticContact CD2-CD1 3.83Å; F47-Y196 HydrophobicContact CD2-CD1 3.83Å; F47-Y196 AromaticContact CD2-CE1 3.5Å; F47-Y196 HydrophobicContact CD2-CE1 3.5Å; F47-Y196 HydrophobicContact CD2-CE2 4.45Å; F47-Y196 HydrophobicContact CD2-CG 4.41Å; F47-Y196 AromaticContact CD2-CZ 3.84Å; F47-Y196 HydrophobicContact CE2-CD1 4.49Å; F47-Y196 HydrophobicContact CE2-CE1 4.28Å; F47-Y196 HydrophobicContact CG-CE1 4.36Å
48H93.3Very high84.9Confident87 Ų8750.9 Ų50.940%0.40329%0.291SS..Hα-helixtrans-64.1-27176.1-177.4-100.5000112.8V44 K45 V51 N52 E84V44-H48 WeakPolarHBondContact O-CB 3.45Å; V44-H48 PolarHBondContact O-N 3.1Å; K45-H48 WeakPolarHBondContact O-CB 3.22Å; K45-H48 PolarHBondContact O-N 2.83Å; K45-H48 VanDerWaalsContact O-N 3.16Å; H48-V51 PolarHBondContact O-N 3.31Å; H48-N52 PolarHBondContact CE1-ND2 3.22Å; H48-N52 PolarHBondContact ND1-ND2 3.07Å; H48-N52 VanDerWaalsContact ND1-ND2 3.16Å; H48-N52 PolarHBondContact NE2-ND2 2.81Å; H48-N52 PolarHBondContact O-N 2.57Å; H48-N52 VanDerWaalsContact O-N 3.07Å; H48-N52 PolarHBondContact O-ND2 2.85Å; H48-E84 IonicContact CD2-OE1 3.78Å; H48-E84 PolarHBondContact CD2-OE1 3.03Å; H48-E84 IonicContact CD2-OE2 2.66Å; H48-E84 IonicContact CG-OE1 3.38Å
49E93.7Very high87.7Confident127 Ų12748.2 Ų48.259%0.59327%0.27SS*.Hα-helixtrans-66.9-36170.3-70.9170.8-175.300112.2K45 E46 F47 V51 N52 G53K45-E49 WeakPolarHBondContact O-CG 3.33Å; K45-E49 PolarHBondContact O-N 2.99Å; E46-E49 WeakPolarHBondContact O-CB 3.32Å; E46-E49 PolarHBondContact O-N 2.94Å; F47-E49 PolarHBondContact O-N 2.81Å; E49-V51 VanDerWaalsContact C-N 3.33Å; E49-N52 PolarHBondContact O-N 2.74Å; E49-G53 PolarHBondContact O-N 3.48Å
50I94.7Very high90.1Very high11 Ų1152.3 Ų52.36%0.05628%0.284CS..Hα-helixtrans-62.5-43.6172.9-59175.2000110.3E46 F47 N52 P54 L55 F80 A192 Y196E46-I50 PolarHBondContact O-N 2.95Å; F47-I50 WeakPolarHBondContact O-CB 3.47Å; F47-I50 PolarHBondContact O-N 2.74Å; I50-N52 VanDerWaalsContact C-N 3.35Å; I50-N52 PolarHBondContact O-N 2.78Å; I50-P54 HydrophobicContact CB-CG 4.44Å; I50-P54 HydrophobicContact CG2-CG 3.92Å; I50-P54 VanDerWaalsContact O-CD 3.23Å; I50-P54 WeakPolarHBondContact O-CD 3.34Å; I50-P54 WeakPolarHBondContact O-CG 3.45Å; I50-L55 WeakPolarHBondContact O-CB 3.36Å; I50-L55 PolarHBondContact O-N 3.18Å; I50-L55 VanDerWaalsContact O-N 3.12Å; I50-F80 HydrophobicContact CG2-CE1 4.14Å; I50-A192 HydrophobicContact CD1-CB 4.28Å; I50-A192 HydrophobicContact CG1-CB 4.11Å; I50-A192 HydrophobicContact CG2-CB 4.3Å; I50-Y196 HydrophobicContact CD1-CG 4.05Å
51V93.2Very high91.9Very high5 Ų549 Ų493%0.0327%0.266CS..Hα-helixtrans-62.4-41.3179.2175.10000111.5F47 H48 E49 L55 S56 F80 L81F47-V51 HydrophobicContact CD1-CG2 4.19Å; F47-V51 HydrophobicContact CE1-CG2 3.98Å; F47-V51 PolarHBondContact O-N 3.1Å; H48-V51 PolarHBondContact O-N 3.31Å; E49-V51 VanDerWaalsContact C-N 3.33Å; V51-L55 HydrophobicContact CB-CD2 4.36Å; V51-L55 HydrophobicContact CG1-CD2 4.17Å; V51-L55 HydrophobicContact CG2-CD2 4.35Å; V51-S56 PolarHBondContact O-OG 3.25Å; V51-F80 HydrophobicContact CG2-CB 4.28Å; V51-F80 HydrophobicContact CG2-CD1 4.49Å; V51-L81 HydrophobicContact CG1-CD2 4.13Å
52N92.5Very high93Very high89 Ų8944.8 Ų44.848%0.47624%0.239SC..Hα-helixtrans-88.3-22.3-177.4-71.1-44.8000114.8H48 E49 I50 S56H48-N52 PolarHBondContact CE1-ND2 3.22Å; H48-N52 PolarHBondContact ND1-ND2 3.07Å; H48-N52 VanDerWaalsContact ND1-ND2 3.16Å; H48-N52 PolarHBondContact NE2-ND2 2.81Å; H48-N52 PolarHBondContact O-N 2.57Å; H48-N52 VanDerWaalsContact O-N 3.07Å; H48-N52 PolarHBondContact O-ND2 2.85Å; E49-N52 PolarHBondContact O-N 2.74Å; I50-N52 VanDerWaalsContact C-N 3.35Å; I50-N52 PolarHBondContact O-N 2.78Å; N52-S56 WeakPolarHBondContact CA-OG 3.33Å; N52-S56 VanDerWaalsContact O-CB 3.24Å; N52-S56 WeakPolarHBondContact O-CB 3.42Å; N52-S56 PolarHBondContact O-OG 2.99Å
53G93.6Very high93.7Very high34 Ų3446.6 Ų46.635%0.35124%0.241SC..THydrogen-bonded Turntrans-93.3-98.5178.300000111.9E49 L55 S56 E57E49-G53 PolarHBondContact O-N 3.48Å; G53-L55 VanDerWaalsContact C-N 3.29Å; G53-L55 PolarHBondContact O-N 3.31Å; G53-S56 WeakPolarHBondContact O-CB 3.36Å; G53-S56 PolarHBondContact O-N 3.05Å; G53-S56 VanDerWaalsContact O-N 3.14Å; G53-E57 PolarHBondContact O-N 2.87Å; G53-E57 VanDerWaalsContact O-N 3.1Å
54P95.1Very high94Very high21 Ų2152.1 Ų52.114%0.13627%0.265CS..Hα-helixtrans-60.2-35.3-171.524.8-35.6000113.3I50 E57 Y58 V189 A192I50-P54 HydrophobicContact CB-CG 4.44Å; I50-P54 HydrophobicContact CG2-CG 3.92Å; I50-P54 VanDerWaalsContact O-CD 3.23Å; I50-P54 WeakPolarHBondContact O-CD 3.34Å; I50-P54 WeakPolarHBondContact O-CG 3.45Å; P54-E57 PolarHBondContact O-N 2.86Å; P54-Y58 WeakPolarHBondContact O-CB 3.32Å; P54-Y58 PolarHBondContact O-N 3.01Å; P54-V189 VanDerWaalsContact C-CG2 3.43Å; P54-V189 HydrophobicContact CB-CG2 3.89Å; P54-V189 WeakPolarHBondContact O-CG2 3.44Å; P54-A192 HydrophobicContact CG-CB 4.09Å
55L95.1Very high94.2Very high1 Ų152 Ų521%0.00526%0.264CS..Hα-helixtrans-70.4-36.9179-178.968.5000112.1I50 V51 G53 Y58 L59 V76 K77 F80 V189I50-L55 WeakPolarHBondContact O-CB 3.36Å; I50-L55 PolarHBondContact O-N 3.18Å; I50-L55 VanDerWaalsContact O-N 3.12Å; V51-L55 HydrophobicContact CB-CD2 4.36Å; V51-L55 HydrophobicContact CG1-CD2 4.17Å; V51-L55 HydrophobicContact CG2-CD2 4.35Å; G53-L55 VanDerWaalsContact C-N 3.29Å; G53-L55 PolarHBondContact O-N 3.31Å; L55-Y58 HydrophobicContact CD1-CD1 4.13Å; L55-Y58 PolarHBondContact O-N 3.08Å; L55-L59 WeakPolarHBondContact O-CB 3.35Å; L55-L59 PolarHBondContact O-N 2.86Å; L55-V76 HydrophobicContact CD1-CG1 4.27Å; L55-K77 HydrophobicContact CD2-CB 4.44Å; L55-K77 HydrophobicContact CD2-CG 4.29Å; L55-F80 HydrophobicContact CD1-CD2 3.89Å; L55-F80 HydrophobicContact CD1-CE2 4.06Å; L55-F80 HydrophobicContact CD1-CG 4.44Å; L55-F80 HydrophobicContact CD2-CB 3.6Å; L55-F80 HydrophobicContact CD2-CD1 4.24Å; L55-F80 HydrophobicContact CD2-CD2 3.93Å; L55-F80 HydrophobicContact CD2-CG 3.67Å; L55-V189 HydrophobicContact CB-CG2 4.29Å
56S94.3Very high94.3Very high44 Ų4446.3 Ų46.331%0.30824%0.244SC..Hα-helixtrans-65.2-41.8173.6-64.70000111.9V51 N52 G53 L59 L60V51-S56 PolarHBondContact O-OG 3.25Å; N52-S56 WeakPolarHBondContact CA-OG 3.33Å; N52-S56 VanDerWaalsContact O-CB 3.24Å; N52-S56 WeakPolarHBondContact O-CB 3.42Å; N52-S56 PolarHBondContact O-OG 2.99Å; G53-S56 WeakPolarHBondContact O-CB 3.36Å; G53-S56 PolarHBondContact O-N 3.05Å; G53-S56 VanDerWaalsContact O-N 3.14Å; S56-L59 WeakPolarHBondContact O-CB 3.49Å; S56-L59 PolarHBondContact O-N 3.14Å; S56-L60 PolarHBondContact O-N 2.67Å
57E94.9Very high94.4Very high96 Ų9649.9 Ų49.945%0.44927%0.265SS..Hα-helixtrans-63.4-44.8176.2-170.5-174.6166.700111.2G53 P54 L59 L60 N61G53-E57 PolarHBondContact O-N 2.87Å; G53-E57 VanDerWaalsContact O-N 3.1Å; P54-E57 PolarHBondContact O-N 2.86Å; E57-L59 VanDerWaalsContact C-N 3.32Å; E57-L59 PolarHBondContact O-N 2.89Å; E57-L60 PolarHBondContact O-N 2.79Å; E57-N61 PolarHBondContact O-N 3.27Å; E57-N61 PolarHBondContact O-ND2 3.32Å
58Y97.1Very high94.5Very high1 Ų152.6 Ų52.60%0.00428%0.278CS..Hα-helixtrans-58.8-42.2173.5165-105.4000112.2P54 L55 S62 A73 V76 V134 W182 L186P54-Y58 WeakPolarHBondContact O-CB 3.32Å; P54-Y58 PolarHBondContact O-N 3.01Å; L55-Y58 HydrophobicContact CD1-CD1 4.13Å; L55-Y58 PolarHBondContact O-N 3.08Å; Y58-S62 WeakPolarHBondContact CE2-OG 3.45Å; Y58-S62 VanDerWaalsContact O-CB 3.24Å; Y58-S62 WeakPolarHBondContact O-CB 3.42Å; Y58-S62 PolarHBondContact O-N 3.07Å; Y58-S62 PolarHBondContact O-OG 2.67Å; Y58-A73 HydrophobicContact CD1-CB 4.15Å; Y58-A73 HydrophobicContact CE1-CB 3.39Å; Y58-V76 HydrophobicContact CE1-CB 4.49Å; Y58-V134 HydrophobicContact CE2-CG2 4.48Å; Y58-V134 WeakPolarHBondContact OH-CG2 3.31Å; Y58-W182 AromaticContact CD2-NE1 3.85Å; Y58-W182 AromaticContact CE2-CE2 3.61Å; Y58-W182 AromaticContact CE2-CZ2 3.81Å; Y58-W182 HydrophobicContact CE2-CZ2 3.81Å; Y58-W182 AromaticContact CE2-NE1 3.27Å; Y58-W182 VanDerWaalsContact CE2-NE1 3.27Å; Y58-L186 HydrophobicContact CD2-CB 3.79Å; Y58-L186 HydrophobicContact CD2-CD1 4.03Å; Y58-L186 HydrophobicContact CD2-CG 4.44Å; Y58-L186 HydrophobicContact CE2-CB 3.96Å; Y58-L186 HydrophobicContact CE2-CD1 3.74Å; Y58-L186 HydrophobicContact CE2-CD2 4.35Å; Y58-L186 HydrophobicContact CE2-CG 4.22Å
59L95.7Very high94.7Very high26 Ų2648.5 Ų48.514%0.13626%0.26CS..Hα-helixtrans-62.4-46.1177.8-170.869.6000111.3L55 S56 E57 S62 F63 A73 K77L55-L59 WeakPolarHBondContact O-CB 3.35Å; L55-L59 PolarHBondContact O-N 2.86Å; S56-L59 WeakPolarHBondContact O-CB 3.49Å; S56-L59 PolarHBondContact O-N 3.14Å; E57-L59 VanDerWaalsContact C-N 3.32Å; E57-L59 PolarHBondContact O-N 2.89Å; L59-S62 WeakPolarHBondContact O-CB 3.44Å; L59-S62 PolarHBondContact O-N 3.09Å; L59-F63 HydrophobicContact CD1-CD2 4.18Å; L59-F63 HydrophobicContact CD1-CE2 3.7Å; L59-F63 HydrophobicContact CG-CD2 4.06Å; L59-F63 HydrophobicContact CG-CE2 3.89Å; L59-F63 VanDerWaalsContact O-CD2 3.3Å; L59-F63 WeakPolarHBondContact O-CD2 3.43Å; L59-F63 PolarHBondContact O-N 3.27Å; L59-F63 VanDerWaalsContact O-N 3.08Å; L59-A73 HydrophobicContact CD1-CB 3.71Å; L59-K77 HydrophobicContact CD2-CD 3.94Å
60L96.2Very high94.8Very high121 Ų12142.5 Ų42.563%0.63423%0.231SC*.Hα-helixtrans-59.2-52.5178.1-177.965.5000111.3S56 E57 S62 F63 E64S56-L60 PolarHBondContact O-N 2.67Å; E57-L60 PolarHBondContact O-N 2.79Å; L60-S62 PolarHBondContact O-N 3.06Å; L60-F63 PolarHBondContact O-N 3.2Å; L60-E64 PolarHBondContact O-N 3.14Å
61N95.2Very high94.9Very high15 Ų1545.9 Ų45.98%0.0825%0.25CC..Hα-helixtrans-61.5-31.3178.4-67.2-28.4000112.1E57 I65 A181 W182 S185E57-N61 PolarHBondContact O-N 3.27Å; E57-N61 PolarHBondContact O-ND2 3.32Å; N61-I65 WeakPolarHBondContact O-CG1 3.34Å; N61-I65 PolarHBondContact O-N 3.32Å; N61-A181 PolarHBondContact ND2-O 3.28Å; N61-W182 HydrophobicContact CB-CB 4.18Å; N61-S185 WeakPolarHBondContact ND2-CB 3.1Å; N61-S185 PolarHBondContact ND2-OG 2.91Å
62S96.3Very high95Very high0 Ų045.7 Ų45.70%025%0.248CC..Hα-helixtrans-69.8-40.5177.9-65.20000112.4Y58 L59 L60 I65 G66 G70 A73 W182Y58-S62 WeakPolarHBondContact CE2-OG 3.45Å; Y58-S62 VanDerWaalsContact O-CB 3.24Å; Y58-S62 WeakPolarHBondContact O-CB 3.42Å; Y58-S62 PolarHBondContact O-N 3.07Å; Y58-S62 PolarHBondContact O-OG 2.67Å; L59-S62 WeakPolarHBondContact O-CB 3.44Å; L59-S62 PolarHBondContact O-N 3.09Å; L60-S62 PolarHBondContact O-N 3.06Å; S62-I65 PolarHBondContact O-N 3.34Å; S62-G66 PolarHBondContact O-N 2.55Å; S62-G70 PolarHBondContact O-N 2.86Å; S62-A73 VanDerWaalsContact CB-CB 3.42Å; S62-A73 WeakPolarHBondContact OG-CB 3.42Å; S62-W182 VanDerWaalsContact OG-CD1 3.3Å; S62-W182 PolarHBondContact OG-NE1 3.28Å
63F95.1Very high95.3Very high87 Ų8741.4 Ų41.438%0.38223%0.226SC..Hα-helixtrans-70.4-32174.3-83.1-74000112.5L59 L60 I65 G66 G70 S74L59-F63 HydrophobicContact CD1-CD2 4.18Å; L59-F63 HydrophobicContact CD1-CE2 3.7Å; L59-F63 HydrophobicContact CG-CD2 4.06Å; L59-F63 HydrophobicContact CG-CE2 3.89Å; L59-F63 VanDerWaalsContact O-CD2 3.3Å; L59-F63 WeakPolarHBondContact O-CD2 3.43Å; L59-F63 PolarHBondContact O-N 3.27Å; L59-F63 VanDerWaalsContact O-N 3.08Å; L60-F63 PolarHBondContact O-N 3.2Å; F63-I65 VanDerWaalsContact C-N 3.29Å; F63-I65 PolarHBondContact O-N 2.98Å; F63-G66 PolarHBondContact O-N 3.15Å; F63-G70 WeakPolarHBondContact CZ-O 3.49Å; F63-S74 WeakPolarHBondContact CZ-OG 3.38Å
64E94Very high95.4Very high126 Ų12641.6 Ų41.659%0.58922%0.221SC*.Hα-helixtrans-64.9-33.2175.3-166.9174.617900112.4L60 V178L60-E64 PolarHBondContact O-N 3.14Å; E64-V178 HydrophobicContact CB-CG1 3.93Å; E64-V178 HydrophobicContact CG-CG1 3.79Å; E64-V178 HydrophobicContact CG-CG2 4.22Å
65I93.7Very high95.5Very high20 Ų2042 Ų4210%0.10322%0.222CC..Hα-helixtrans-69.3-41.5173.7-70171000111.8N61 S62 F63 V69 F127 V178 H179 W182N61-I65 WeakPolarHBondContact O-CG1 3.34Å; N61-I65 PolarHBondContact O-N 3.32Å; S62-I65 PolarHBondContact O-N 3.34Å; F63-I65 VanDerWaalsContact C-N 3.29Å; F63-I65 PolarHBondContact O-N 2.98Å; I65-V69 HydrophobicContact CB-CB 4.43Å; I65-V69 HydrophobicContact CG2-CB 4.2Å; I65-V69 HydrophobicContact CG2-CG2 3.78Å; I65-F127 HydrophobicContact CG2-CD1 3.79Å; I65-F127 HydrophobicContact CG2-CE1 3.4Å; I65-F127 HydrophobicContact CG2-CE2 4.22Å; I65-F127 HydrophobicContact CG2-CG 4.34Å; I65-F127 HydrophobicContact CG2-CZ 3.59Å; I65-F127 VanDerWaalsContact O-CZ 3.3Å; I65-F127 WeakPolarHBondContact O-CZ 3.42Å; I65-V178 HydrophobicContact CG1-CG1 3.66Å; I65-H179 WeakPolarHBondContact CD1-ND1 3.32Å; I65-W182 HydrophobicContact CD1-CB 3.5Å; I65-W182 VanDerWaalsContact CD1-CB 3.5Å; I65-W182 HydrophobicContact CD1-CD2 4.08Å; I65-W182 HydrophobicContact CD1-CG 3.4Å; I65-W182 VanDerWaalsContact CD1-CG 3.4Å
66G92.5Very high95.6Very high18 Ų1842 Ų4219%0.18622%0.222CC..  trans152.2167.4175.100000114.2S62 F63 I68 V69 G70S62-G66 PolarHBondContact O-N 2.55Å; F63-G66 PolarHBondContact O-N 3.15Å; G66-I68 VanDerWaalsContact C-N 3.32Å; G66-I68 PolarHBondContact O-N 2.94Å; G66-V69 PolarHBondContact O-N 3.39Å; G66-G70 PolarHBondContact O-N 3.45Å
67D93.6Very high95.8Very high119 Ų11943.4 Ų43.464%0.63622%0.223SC*.Hα-helixtrans-58.4-37.4-168.4-61.2-25.3000114.4V69 G70 N71D67-V69 VanDerWaalsContact C-N 3.34Å; D67-V69 PolarHBondContact O-N 3.05Å; D67-G70 PolarHBondContact O-N 3.48Å; D67-N71 WeakPolarHBondContact O-CB 3.31Å; D67-N71 PolarHBondContact O-N 3.17Å; D67-N71 PolarHBondContact O-ND2 3.41Å; D67-N71 VanDerWaalsContact O-ND2 3.11Å
68I95.6Very high95.8Very high57 Ų5744.4 Ų44.429%0.29223%0.225SC..Hα-helixtrans-64.5-41.9179.3-61.7177.1000110.5G66 H72 F118 L131G66-I68 VanDerWaalsContact C-N 3.32Å; G66-I68 PolarHBondContact O-N 2.94Å; I68-H72 WeakPolarHBondContact O-CB 3.47Å; I68-H72 PolarHBondContact O-N 3.12Å; I68-H72 VanDerWaalsContact O-N 3.11Å; I68-F118 HydrophobicContact CG2-CE1 3.81Å; I68-F118 HydrophobicContact CG2-CZ 4.1Å; I68-F118 WeakPolarHBondContact O-CE1 3.45Å; I68-L131 HydrophobicContact CG2-CD1 3.95Å; I68-L131 HydrophobicContact CG2-CD2 4.22Å
69V96.5Very high95.8Very high1 Ų144.3 Ų44.31%0.00623%0.225CC..Hα-helixtrans-73.7-41.1179.1-174.90000110.2I65 G66 D67 H72 A73 F127 H130 W182I65-V69 HydrophobicContact CB-CB 4.43Å; I65-V69 HydrophobicContact CG2-CB 4.2Å; I65-V69 HydrophobicContact CG2-CG2 3.78Å; G66-V69 PolarHBondContact O-N 3.39Å; D67-V69 VanDerWaalsContact C-N 3.34Å; D67-V69 PolarHBondContact O-N 3.05Å; V69-H72 PolarHBondContact O-N 2.99Å; V69-A73 WeakPolarHBondContact O-CB 3.38Å; V69-A73 PolarHBondContact O-N 3.35Å; V69-F127 HydrophobicContact CG2-CB 3.63Å; V69-F127 HydrophobicContact CG2-CD1 4.38Å; V69-F127 HydrophobicContact CG2-CD2 3.95Å; V69-F127 HydrophobicContact CG2-CG 3.76Å; V69-H130 HydrophobicContact CG1-CB 4.39Å; V69-H130 HydrophobicContact CG2-CB 4.15Å; V69-W182 HydrophobicContact CG1-CZ2 4.41Å
70G95.6Very high95.9Very high0 Ų043.1 Ų43.10%022%0.219CC..Hα-helixtrans-61.5-41.417400000113.9S62 F63 G66 D67 A73 S74S62-G70 PolarHBondContact O-N 2.86Å; F63-G70 WeakPolarHBondContact CZ-O 3.49Å; G66-G70 PolarHBondContact O-N 3.45Å; D67-G70 PolarHBondContact O-N 3.48Å; G70-A73 PolarHBondContact O-N 2.86Å; G70-S74 PolarHBondContact O-N 2.81Å; G70-S74 PolarHBondContact O-OG 2.85Å
71N96.3Very high95.9Very high82 Ų8240.9 Ų40.944%0.43921%0.207SC..Hα-helixtrans-64-43.1173.9-75.1-28000111.2D67 A73 S74 M75 F118D67-N71 WeakPolarHBondContact O-CB 3.31Å; D67-N71 PolarHBondContact O-N 3.17Å; D67-N71 PolarHBondContact O-ND2 3.41Å; D67-N71 VanDerWaalsContact O-ND2 3.11Å; N71-A73 PolarHBondContact O-N 3.23Å; N71-S74 WeakPolarHBondContact O-CB 3.18Å; N71-S74 PolarHBondContact O-N 2.96Å; N71-M75 WeakPolarHBondContact O-CG 3.08Å; N71-M75 PolarHBondContact O-N 2.9Å; N71-M75 VanDerWaalsContact O-N 3.11Å; N71-F118 HydrophobicContact CB-CZ 4.08Å
72H97.3Very high95.9Very high1 Ų142 Ų421%0.00521%0.212CC..Hα-helixtrans-61.8-44175.9-162-141.1000111.8I68 V69 S74 M75 V76 V115 F118 L131 V134I68-H72 WeakPolarHBondContact O-CB 3.47Å; I68-H72 PolarHBondContact O-N 3.12Å; I68-H72 VanDerWaalsContact O-N 3.11Å; V69-H72 PolarHBondContact O-N 2.99Å; H72-S74 VanDerWaalsContact C-N 3.31Å; H72-S74 PolarHBondContact O-N 3.14Å; H72-M75 WeakPolarHBondContact O-CB 2.95Å; H72-M75 PolarHBondContact O-N 3.05Å; H72-M75 VanDerWaalsContact O-N 3.14Å; H72-V76 PolarHBondContact O-N 3Å; H72-V76 VanDerWaalsContact O-N 3.09Å; H72-V115 WeakPolarHBondContact NE2-CG1 3.48Å; H72-V115 PolarHBondContact NE2-O 3.31Å; H72-F118 HydrophobicContact CB-CD1 3.96Å; H72-F118 HydrophobicContact CB-CE1 3.88Å; H72-F118 AromaticContact CD2-CD1 3.41Å; H72-F118 VanDerWaalsContact CD2-CD1 3.41Å; H72-F118 WeakPolarHBondContact CD2-CD1 3.39Å; H72-F118 AromaticContact CD2-CG 3.99Å; H72-F118 AromaticContact CG-CD1 3.9Å; H72-L131 HydrophobicContact CB-CD2 3.63Å; H72-L131 PolarHBondContact CE1-O 2.79Å; H72-L131 WeakPolarHBondContact ND1-CD2 3.39Å; H72-V134 VanDerWaalsContact CE1-CB 3.44Å; H72-V134 WeakPolarHBondContact CE1-CB 3.45Å; H72-V134 WeakPolarHBondContact CE1-CG1 3.34Å; H72-V134 WeakPolarHBondContact ND1-CG1 3.49Å
73A97.1Very high95.8Very high0 Ų042 Ų420%021%0.212CC..Hα-helixtrans-63-35.3174.600000112.9Y58 L59 S62 V69 G70 N71 M75 V76 K77Y58-A73 HydrophobicContact CD1-CB 4.15Å; Y58-A73 HydrophobicContact CE1-CB 3.39Å; L59-A73 HydrophobicContact CD1-CB 3.71Å; S62-A73 VanDerWaalsContact CB-CB 3.42Å; S62-A73 WeakPolarHBondContact OG-CB 3.42Å; V69-A73 WeakPolarHBondContact O-CB 3.38Å; V69-A73 PolarHBondContact O-N 3.35Å; G70-A73 PolarHBondContact O-N 2.86Å; N71-A73 PolarHBondContact O-N 3.23Å; A73-M75 VanDerWaalsContact C-N 3.3Å; A73-M75 PolarHBondContact O-N 3.26Å; A73-V76 WeakPolarHBondContact O-CB 3.26Å; A73-V76 PolarHBondContact O-N 3.06Å; A73-K77 PolarHBondContact O-N 2.82Å
74S96.7Very high95.7Very high37 Ų3738.4 Ų38.426%0.25920%0.196SC..Hα-helixtrans-64.7-34.3174.1-61.90000112.2F63 G70 N71 H72 K77 K78F63-S74 WeakPolarHBondContact CZ-OG 3.38Å; G70-S74 PolarHBondContact O-N 2.81Å; G70-S74 PolarHBondContact O-OG 2.85Å; N71-S74 WeakPolarHBondContact O-CB 3.18Å; N71-S74 PolarHBondContact O-N 2.96Å; H72-S74 VanDerWaalsContact C-N 3.31Å; H72-S74 PolarHBondContact O-N 3.14Å; S74-K77 PolarHBondContact O-N 2.78Å; S74-K78 PolarHBondContact O-N 2.8Å; S74-K78 VanDerWaalsContact O-N 3.17Å
75M97.6Very high95.7Very high29 Ų2935.2 Ų35.214%0.14318%0.182CC..Hα-helixtrans-68.8-40.6173-61172.473.200111.5N71 H72 A73 K77 K78 C79 E114 V115 F118N71-M75 WeakPolarHBondContact O-CG 3.08Å; N71-M75 PolarHBondContact O-N 2.9Å; N71-M75 VanDerWaalsContact O-N 3.11Å; H72-M75 WeakPolarHBondContact O-CB 2.95Å; H72-M75 PolarHBondContact O-N 3.05Å; H72-M75 VanDerWaalsContact O-N 3.14Å; A73-M75 VanDerWaalsContact C-N 3.3Å; A73-M75 PolarHBondContact O-N 3.26Å; M75-K77 VanDerWaalsContact C-N 3.3Å; M75-K77 PolarHBondContact O-N 2.72Å; M75-K78 WeakPolarHBondContact O-CB 3.17Å; M75-K78 PolarHBondContact O-N 2.85Å; M75-K78 VanDerWaalsContact O-N 3.15Å; M75-C79 PolarHBondContact O-N 2.82Å; M75-C79 VanDerWaalsContact O-N 3.15Å; M75-C79 PolarHBondContact O-SG 3.33Å; M75-E114 HydrophobicContact CE-CB 3.54Å; M75-E114 VanDerWaalsContact CE-O 3.27Å; M75-E114 WeakPolarHBondContact CE-O 3.27Å; M75-V115 HydrophobicContact CB-CG2 3.66Å; M75-F118 HydrophobicContact CE-CB 4.08Å; M75-F118 HydrophobicContact SD-CB 3.85Å; M75-F118 HydrophobicContact SD-CD2 3.74Å; M75-F118 HydrophobicContact SD-CE2 4.44Å; M75-F118 HydrophobicContact SD-CG 3.8Å
76V97.6Very high95.6Very high2 Ų234.3 Ų34.31%0.01218%0.177CC..Hα-helixtrans-59.6-42172.1176.80000110.8L55 Y58 H72 A73 K78 C79 F80 V115 V134 V138L55-V76 HydrophobicContact CD1-CG1 4.27Å; Y58-V76 HydrophobicContact CE1-CB 4.49Å; H72-V76 PolarHBondContact O-N 3Å; H72-V76 VanDerWaalsContact O-N 3.09Å; A73-V76 WeakPolarHBondContact O-CB 3.26Å; A73-V76 PolarHBondContact O-N 3.06Å; V76-K78 VanDerWaalsContact C-N 3.3Å; V76-K78 PolarHBondContact O-N 2.89Å; V76-C79 WeakPolarHBondContact O-CA 3.19Å; V76-C79 VanDerWaalsContact O-CB 3.26Å; V76-C79 WeakPolarHBondContact O-CB 3.2Å; V76-C79 PolarHBondContact O-N 2.8Å; V76-F80 HydrophobicContact CG1-CD2 3.84Å; V76-F80 HydrophobicContact CG1-CE2 3.8Å; V76-F80 WeakPolarHBondContact O-CD2 3.29Å; V76-F80 PolarHBondContact O-N 2.97Å; V76-V115 HydrophobicContact CG2-CG1 4.17Å; V76-V115 HydrophobicContact CG2-CG2 4.42Å; V76-V134 HydrophobicContact CG2-CG1 3.44Å; V76-V134 VanDerWaalsContact CG2-CG1 3.44Å; V76-V138 HydrophobicContact CG2-CG2 4.39Å
77K96.7Very high95.6Very high74 Ų7433.6 Ų33.632%0.32217%0.169SC..Hα-helixtrans-58.3-40.5175-178.9171.4178.9173.50112.5L55 L59 A73 S74 M75 C79 F80 L81L55-K77 HydrophobicContact CD2-CB 4.44Å; L55-K77 HydrophobicContact CD2-CG 4.29Å; L59-K77 HydrophobicContact CD2-CD 3.94Å; A73-K77 PolarHBondContact O-N 2.82Å; S74-K77 PolarHBondContact O-N 2.78Å; M75-K77 VanDerWaalsContact C-N 3.3Å; M75-K77 PolarHBondContact O-N 2.72Å; K77-C79 VanDerWaalsContact C-N 3.29Å; K77-C79 PolarHBondContact O-N 2.87Å; K77-F80 PolarHBondContact O-N 3.46Å; K77-L81 HydrophobicContact CG-CD1 4.27Å; K77-L81 HydrophobicContact CG-CG 4.49Å; K77-L81 WeakPolarHBondContact O-CG 3.45Å; K77-L81 PolarHBondContact O-N 2.78Å
78K96.6Very high95.5Very high116 Ų11631.6 Ų31.650%0.50416%0.155SC..Hα-helixtrans-60.6-38.9173.3-66175.2-176.5177.30111.9S74 M75 V76 L81 M82 L111S74-K78 PolarHBondContact O-N 2.8Å; S74-K78 VanDerWaalsContact O-N 3.17Å; M75-K78 WeakPolarHBondContact O-CB 3.17Å; M75-K78 PolarHBondContact O-N 2.85Å; M75-K78 VanDerWaalsContact O-N 3.15Å; V76-K78 VanDerWaalsContact C-N 3.3Å; V76-K78 PolarHBondContact O-N 2.89Å; K78-L81 PolarHBondContact O-N 2.78Å; K78-M82 WeakPolarHBondContact O-CB 3.47Å; K78-M82 PolarHBondContact O-N 2.92Å; K78-L111 HydrophobicContact CB-CD1 4.48Å; K78-L111 HydrophobicContact CB-CD2 4.31Å
79C97.1Very high95.2Very high0 Ų029.3 Ų29.30%014%0.143CC..Hα-helixtrans-62.3-45.9176-55.40000111.6M75 V76 K77 M82 Q83 L108 L141M75-C79 PolarHBondContact O-N 2.82Å; M75-C79 VanDerWaalsContact O-N 3.15Å; M75-C79 PolarHBondContact O-SG 3.33Å; V76-C79 WeakPolarHBondContact O-CA 3.19Å; V76-C79 VanDerWaalsContact O-CB 3.26Å; V76-C79 WeakPolarHBondContact O-CB 3.2Å; V76-C79 PolarHBondContact O-N 2.8Å; K77-C79 VanDerWaalsContact C-N 3.29Å; K77-C79 PolarHBondContact O-N 2.87Å; C79-M82 PolarHBondContact O-N 2.65Å; C79-Q83 WeakPolarHBondContact O-CB 3.33Å; C79-Q83 PolarHBondContact O-N 3.4Å; C79-L108 HydrophobicContact CB-CD1 3.97Å; C79-L108 VanDerWaalsContact O-CD1 3.26Å; C79-L108 WeakPolarHBondContact O-CD1 3.4Å; C79-L141 HydrophobicContact CB-CD1 3.38Å
80F97.3Very high94.8Very high0 Ų029.3 Ų29.30%014%0.143CC..Hα-helixtrans-62.6-42.1176.7-88.7-91.6000112.6F47 I50 V51 L55 V76 K77 M82 Q83 E84 L141 V189 W190F47-F80 HydrophobicContact CE1-CD1 4.27Å; F47-F80 WeakPolarHBondContact CE1-O 3.42Å; F47-F80 HydrophobicContact CE2-CD1 4.47Å; F47-F80 AromaticContact CZ-CD1 3.73Å; F47-F80 HydrophobicContact CZ-CD1 3.73Å; F47-F80 HydrophobicContact CZ-CE1 4.34Å; I50-F80 HydrophobicContact CG2-CE1 4.14Å; V51-F80 HydrophobicContact CG2-CB 4.28Å; V51-F80 HydrophobicContact CG2-CD1 4.49Å; L55-F80 HydrophobicContact CD1-CD2 3.89Å; L55-F80 HydrophobicContact CD1-CE2 4.06Å; L55-F80 HydrophobicContact CD1-CG 4.44Å; L55-F80 HydrophobicContact CD2-CB 3.6Å; L55-F80 HydrophobicContact CD2-CD1 4.24Å; L55-F80 HydrophobicContact CD2-CD2 3.93Å; L55-F80 HydrophobicContact CD2-CG 3.67Å; V76-F80 HydrophobicContact CG1-CD2 3.84Å; V76-F80 HydrophobicContact CG1-CE2 3.8Å; V76-F80 WeakPolarHBondContact O-CD2 3.29Å; V76-F80 PolarHBondContact O-N 2.97Å; K77-F80 PolarHBondContact O-N 3.46Å; F80-M82 VanDerWaalsContact C-N 3.35Å; F80-M82 PolarHBondContact O-N 2.96Å; F80-Q83 PolarHBondContact O-N 3.16Å; F80-E84 PolarHBondContact O-N 2.88Å; F80-L141 HydrophobicContact CD1-CD2 4.34Å; F80-L141 HydrophobicContact CD2-CD1 4.18Å; F80-L141 HydrophobicContact CD2-CD2 4.22Å; F80-L141 HydrophobicContact CE1-CD2 3.98Å; F80-L141 HydrophobicContact CE2-CD1 4.17Å; F80-L141 HydrophobicContact CE2-CD2 3.86Å; F80-L141 HydrophobicContact CE2-CG 4.48Å; F80-L141 HydrophobicContact CG-CD2 4.45Å; F80-L141 HydrophobicContact CZ-CD2 3.73Å; F80-V189 HydrophobicContact CE1-CG1 4.18Å; F80-V189 HydrophobicContact CE2-CG1 3.85Å; F80-V189 HydrophobicContact CZ-CG1 3.35Å; F80-W190 HydrophobicContact CE2-CH2 4.08Å; F80-W190 AromaticContact CE2-CZ3 3.98Å; F80-W190 HydrophobicContact CE2-CZ3 3.98Å; F80-W190 HydrophobicContact CZ-CE3 4.4Å; F80-W190 HydrophobicContact CZ-CH2 4.32Å; F80-W190 AromaticContact CZ-CZ3 3.77Å; F80-W190 HydrophobicContact CZ-CZ3 3.77Å
81L95.3Very high94.4Very high74 Ų7430.6 Ų30.639%0.38715%0.153SC..Hα-helixtrans-63.7-40.5176.6-68.4173.3000112V51 K77 K78 E84 E85V51-L81 HydrophobicContact CG1-CD2 4.13Å; K77-L81 HydrophobicContact CG-CD1 4.27Å; K77-L81 HydrophobicContact CG-CG 4.49Å; K77-L81 WeakPolarHBondContact O-CG 3.45Å; K77-L81 PolarHBondContact O-N 2.78Å; K78-L81 PolarHBondContact O-N 2.78Å; L81-E84 WeakPolarHBondContact O-CB 3.37Å; L81-E84 PolarHBondContact O-N 3.27Å; L81-E85 PolarHBondContact O-N 3.12Å
82M94.7Very high93.9Very high39 Ų3932.7 Ų32.719%0.19216%0.161CC..Hα-helixtrans-64.4-42.1174-176.458.964.700111.5K78 C79 F80 E84 E85 I86 P107 L108 L111 L219K78-M82 WeakPolarHBondContact O-CB 3.47Å; K78-M82 PolarHBondContact O-N 2.92Å; C79-M82 PolarHBondContact O-N 2.65Å; F80-M82 VanDerWaalsContact C-N 3.35Å; F80-M82 PolarHBondContact O-N 2.96Å; M82-E84 VanDerWaalsContact C-N 3.32Å; M82-E84 PolarHBondContact O-N 2.96Å; M82-E85 PolarHBondContact O-N 3.35Å; M82-I86 HydrophobicContact CG-CD1 4.4Å; M82-I86 WeakPolarHBondContact O-CG1 3.46Å; M82-I86 PolarHBondContact O-N 3.47Å; M82-P107 HydrophobicContact CE-CB 4.19Å; M82-P107 HydrophobicContact CG-CB 4.41Å; M82-P107 HydrophobicContact SD-CB 4.02Å; M82-L108 HydrophobicContact CB-CD1 4.33Å; M82-L108 HydrophobicContact CG-CB 4.09Å; M82-L108 HydrophobicContact CG-CD1 4.47Å; M82-L111 HydrophobicContact CB-CD1 3.67Å; M82-L111 HydrophobicContact CE-CD1 4.36Å; M82-L111 HydrophobicContact CG-CD1 4.02Å; M82-L219 HydrophobicContact SD-CD2 3.5Å; M82-L219 VanDerWaalsContact SD-CD2 3.5Å; M82-L219 HydrophobicContact SD-CG 4.2Å
83Q95.4Very high93.4Very high0 Ų032.7 Ų32.70%016%0.16CC..Hα-helixtrans-62.3-38.7174.7179164.881.700111.8F47 C79 F80 E85 I86 I87 L108 L141 L144F47-Q83 HydrophobicContact CE1-CG 4.47Å; F47-Q83 HydrophobicContact CE2-CG 4.08Å; F47-Q83 HydrophobicContact CZ-CB 4.02Å; F47-Q83 HydrophobicContact CZ-CG 3.67Å; F47-Q83 VanDerWaalsContact CZ-OE1 3.32Å; C79-Q83 WeakPolarHBondContact O-CB 3.33Å; C79-Q83 PolarHBondContact O-N 3.4Å; F80-Q83 PolarHBondContact O-N 3.16Å; Q83-E85 PolarHBondContact O-N 3.08Å; Q83-I86 PolarHBondContact O-N 3.38Å; Q83-I87 HydrophobicContact CG-CD1 3.83Å; Q83-I87 HydrophobicContact CG-CG1 4.43Å; Q83-I87 VanDerWaalsContact O-CG1 3.26Å; Q83-I87 WeakPolarHBondContact O-CG1 3.43Å; Q83-I87 PolarHBondContact O-N 3.39Å; Q83-L108 HydrophobicContact CB-CD1 4.4Å; Q83-L108 HydrophobicContact CB-CD2 4.29Å; Q83-L141 PolarHBondContact NE2-O 3.29Å; Q83-L144 HydrophobicContact CG-CD1 4.24Å
84E93.5Very high92.7Very high11 Ų1133.8 Ų33.85%0.05117%0.168CC..Hα-helixtrans-61.1-42.1173.4-167.7-175.7159.400111.9F47 H48 F80 L81 M82 I86 I87 K88F47-E84 HydrophobicContact CD1-CB 3.73Å; F47-E84 HydrophobicContact CD1-CG 3.84Å; F47-E84 HydrophobicContact CE1-CB 3.68Å; F47-E84 HydrophobicContact CE1-CG 4.31Å; H48-E84 IonicContact CD2-OE1 3.78Å; H48-E84 PolarHBondContact CD2-OE1 3.03Å; H48-E84 IonicContact CD2-OE2 2.66Å; H48-E84 IonicContact CG-OE1 3.38Å; F80-E84 PolarHBondContact O-N 2.88Å; L81-E84 WeakPolarHBondContact O-CB 3.37Å; L81-E84 PolarHBondContact O-N 3.27Å; M82-E84 VanDerWaalsContact C-N 3.32Å; M82-E84 PolarHBondContact O-N 2.96Å; E84-I86 VanDerWaalsContact C-N 3.35Å; E84-I87 PolarHBondContact O-N 3.4Å; E84-K88 HydrophobicContact CG-CD 4.45Å; E84-K88 WeakPolarHBondContact O-CB 3.31Å; E84-K88 WeakPolarHBondContact O-CG 3.42Å; E84-K88 PolarHBondContact O-N 2.93Å; E84-K88 WeakPolarHBondContact OE1-CE 3.22Å; E84-K88 IonicContact OE1-NZ 3.95Å; E84-K88 PolarHBondContact OE1-NZ 2.67Å
85E92.7Very high92.2Very high60 Ų6038.3 Ų38.328%0.2818%0.183SC..Hα-helixtrans-63.5-39.4175.5-70.2-169.8151.600111.9L81 M82 Q83 K88 L89 L219 K221L81-E85 PolarHBondContact O-N 3.12Å; M82-E85 PolarHBondContact O-N 3.35Å; Q83-E85 PolarHBondContact O-N 3.08Å; E85-K88 PolarHBondContact O-N 2.89Å; E85-L89 WeakPolarHBondContact O-CB 3.3Å; E85-L89 PolarHBondContact O-N 3.08Å; E85-L219 HydrophobicContact CB-CD1 4.06Å; E85-K221 IonicContact OE1-NZ 2.81Å; E85-K221 PolarHBondContact OE1-NZ 3.42Å
86I92.8Very high91.5Very high1 Ų137.2 Ų37.21%0.00518%0.179CC..Hα-helixtrans-65.4-43.1174.6-65.6167.5000111.1M82 Q83 E84 L89 A90 I104 L108 L144 L205 L219M82-I86 HydrophobicContact CG-CD1 4.4Å; M82-I86 WeakPolarHBondContact O-CG1 3.46Å; M82-I86 PolarHBondContact O-N 3.47Å; Q83-I86 PolarHBondContact O-N 3.38Å; E84-I86 VanDerWaalsContact C-N 3.35Å; I86-L89 WeakPolarHBondContact O-CB 3.44Å; I86-L89 PolarHBondContact O-N 2.98Å; I86-A90 WeakPolarHBondContact O-CB 3.39Å; I86-A90 PolarHBondContact O-N 3.27Å; I86-I104 HydrophobicContact CG1-CG2 4.19Å; I86-I104 HydrophobicContact CG2-CG2 4.12Å; I86-L108 HydrophobicContact CD1-CB 4Å; I86-L108 HydrophobicContact CD1-CD2 4.33Å; I86-L144 HydrophobicContact CD1-CD1 4.26Å; I86-L144 HydrophobicContact CG2-CD1 4.27Å; I86-L205 HydrophobicContact CG2-CD2 4.32Å; I86-L219 HydrophobicContact CG1-CD2 4.2Å
87I92.3Very high90.9Very high3 Ų339.9 Ų39.92%0.01520%0.197CC..Hα-helixtrans-64.5-41.8177.7-68.8163.7000110.6V44 F47 Q83 E84 A90 A91 W143 Y196 L205V44-I87 HydrophobicContact CG2-CG2 4.25Å; F47-I87 HydrophobicContact CB-CD1 4.45Å; F47-I87 HydrophobicContact CD1-CD1 4.17Å; F47-I87 HydrophobicContact CD2-CD1 3.49Å; F47-I87 VanDerWaalsContact CD2-CD1 3.49Å; F47-I87 HydrophobicContact CE1-CD1 4.31Å; F47-I87 HydrophobicContact CE2-CD1 3.63Å; F47-I87 HydrophobicContact CG-CD1 3.76Å; F47-I87 HydrophobicContact CZ-CD1 4.04Å; Q83-I87 HydrophobicContact CG-CD1 3.83Å; Q83-I87 HydrophobicContact CG-CG1 4.43Å; Q83-I87 VanDerWaalsContact O-CG1 3.26Å; Q83-I87 WeakPolarHBondContact O-CG1 3.43Å; Q83-I87 PolarHBondContact O-N 3.39Å; E84-I87 PolarHBondContact O-N 3.4Å; I87-A90 PolarHBondContact O-N 3.37Å; I87-A91 WeakPolarHBondContact O-CB 3.45Å; I87-A91 PolarHBondContact O-N 3.13Å; I87-W143 HydrophobicContact CD1-CZ2 4.41Å; I87-Y196 HydrophobicContact CD1-CE1 4.06Å; I87-Y196 WeakPolarHBondContact CG2-OH 3.34Å; I87-L205 HydrophobicContact CG1-CD1 4.5Å
88K91.2Very high90.2Very high77 Ų7741.7 Ų41.734%0.33521%0.21SC..Hα-helixtrans-59.5-46.6172.8-77.3171.7-176.3165.10111.4V44 E84 E85 A90 A91 E92V44-K88 HydrophobicContact CB-CG 4.45Å; V44-K88 HydrophobicContact CG1-CD 4.11Å; V44-K88 HydrophobicContact CG1-CG 3.51Å; V44-K88 HydrophobicContact CG2-CG 4.01Å; E84-K88 HydrophobicContact CG-CD 4.45Å; E84-K88 WeakPolarHBondContact O-CB 3.31Å; E84-K88 WeakPolarHBondContact O-CG 3.42Å; E84-K88 PolarHBondContact O-N 2.93Å; E84-K88 WeakPolarHBondContact OE1-CE 3.22Å; E84-K88 IonicContact OE1-NZ 3.95Å; E84-K88 PolarHBondContact OE1-NZ 2.67Å; E85-K88 PolarHBondContact O-N 2.89Å; K88-A90 VanDerWaalsContact C-N 3.29Å; K88-A90 PolarHBondContact O-N 2.91Å; K88-A91 PolarHBondContact O-N 3.04Å; K88-E92 WeakPolarHBondContact O-CG 3.34Å; K88-E92 PolarHBondContact O-N 2.68Å; K88-E92 VanDerWaalsContact O-N 3.08Å
89L88.8Confident89.6Confident9 Ų940.1 Ų40.15%0.04721%0.214CC..Hα-helixtrans-58.8-42.9176.4-17667.4000111.3E85 I86 E92 C93 I104 A214 K218 L219E85-L89 WeakPolarHBondContact O-CB 3.3Å; E85-L89 PolarHBondContact O-N 3.08Å; I86-L89 WeakPolarHBondContact O-CB 3.44Å; I86-L89 PolarHBondContact O-N 2.98Å; L89-E92 PolarHBondContact O-N 3.31Å; L89-C93 WeakPolarHBondContact O-CB 3.41Å; L89-C93 PolarHBondContact O-N 3.09Å; L89-C93 PolarHBondContact O-SG 3.27Å; L89-I104 HydrophobicContact CD2-CD1 4.15Å; L89-I104 HydrophobicContact CD2-CG1 4.27Å; L89-I104 HydrophobicContact CD2-CG2 3.99Å; L89-A214 HydrophobicContact CD1-CB 4.38Å; L89-A214 HydrophobicContact CD2-CB 4.04Å; L89-A214 HydrophobicContact CG-CB 3.99Å; L89-K218 HydrophobicContact CD1-CB 3.78Å; L89-K218 HydrophobicContact CD1-CD 3.54Å; L89-K218 HydrophobicContact CD1-CG 4.31Å; L89-L219 HydrophobicContact CD2-CD1 4.2Å
90A88.9Confident89Confident1 Ų143.3 Ų43.31%0.00823%0.231CC..Hα-helixtrans-66.8-34.4177.200000113.3I86 I87 K88 E92 L205 W207 N208I86-A90 WeakPolarHBondContact O-CB 3.39Å; I86-A90 PolarHBondContact O-N 3.27Å; I87-A90 PolarHBondContact O-N 3.37Å; K88-A90 VanDerWaalsContact C-N 3.29Å; K88-A90 PolarHBondContact O-N 2.91Å; A90-E92 VanDerWaalsContact C-N 3.3Å; A90-E92 PolarHBondContact O-N 2.9Å; A90-L205 HydrophobicContact CB-CD1 4.08Å; A90-L205 HydrophobicContact CB-CD2 4.06Å; A90-L205 HydrophobicContact CB-CG 4.06Å; A90-W207 VanDerWaalsContact CA-CE3 3.46Å; A90-W207 HydrophobicContact CB-CD2 3.93Å; A90-W207 HydrophobicContact CB-CE3 3.68Å; A90-W207 HydrophobicContact CB-CH2 4.12Å; A90-W207 HydrophobicContact CB-CZ2 4.36Å; A90-W207 HydrophobicContact CB-CZ3 3.76Å; A90-W207 CarbonylContact O-C 3.59Å; A90-W207 WeakPolarHBondContact O-CA 3.44Å; A90-N208 PolarHBondContact O-N 3.24Å
91A87.8Confident88.5Confident26 Ų2644.7 Ų44.722%0.21524%0.238CC..Hα-helixtrans-70.3-24.5174.700000113.3V44 I87 K88 N208V44-A91 HydrophobicContact CG2-CB 4.08Å; I87-A91 WeakPolarHBondContact O-CB 3.45Å; I87-A91 PolarHBondContact O-N 3.13Å; K88-A91 PolarHBondContact O-N 3.04Å; A91-N208 WeakPolarHBondContact O-CB 3.39Å; A91-N208 PolarHBondContact O-ND2 3.32Å
92E85.3Confident88.2Confident127 Ų12748.2 Ų48.259%0.59325%0.251SS*.Hα-helixtrans-96.7-27.7179.6-69.7177.7-170.900113.8K88 L89 A90 G211K88-E92 WeakPolarHBondContact O-CG 3.34Å; K88-E92 PolarHBondContact O-N 2.68Å; K88-E92 VanDerWaalsContact O-N 3.08Å; L89-E92 PolarHBondContact O-N 3.31Å; A90-E92 VanDerWaalsContact C-N 3.3Å; A90-E92 PolarHBondContact O-N 2.9Å; E92-G211 WeakPolarHBondContact O-CA 3.42Å
93C85.4Confident88Confident0 Ų051.1 Ų51.10%027%0.267CS..SBendtrans-116.2158.8-169.6-60.30000112.4L89 N208 K212 A214 K218L89-C93 WeakPolarHBondContact O-CB 3.41Å; L89-C93 PolarHBondContact O-N 3.09Å; L89-C93 PolarHBondContact O-SG 3.27Å; C93-N208 CarbonylContact C-O 3.52Å; C93-N208 PolarHBondContact O-N 2.77Å; C93-K212 CarbonylContact C-O 3.44Å; C93-K212 VanDerWaalsContact CA-O 3.24Å; C93-K212 WeakPolarHBondContact CA-O 3.4Å; C93-K212 WeakPolarHBondContact CB-O 3.33Å; C93-A214 HydrophobicContact CB-CB 3.63Å; C93-K218 PolarHBondContact SG-NZ 3.1Å
94S83.6Confident87.7Confident24 Ų2451.2 Ų51.217%0.16827%0.267CS..BIsolated β-bridgetrans-80.9159.8170.649.80000111.5P96 N208 G211 K212 P213 A214S94-P96 WeakPolarHBondContact O-CD 3.25Å; S94-N208 WeakPolarHBondContact CA-O 3.49Å; S94-N208 PolarHBondContact N-O 2.82Å; S94-G211 VanDerWaalsContact CB-O 3.25Å; S94-G211 WeakPolarHBondContact CB-O 3.41Å; S94-G211 PolarHBondContact OG-O 2.91Å; S94-K212 PolarHBondContact N-O 3.19Å; S94-K212 VanDerWaalsContact OG-C 3.24Å; S94-K212 PolarHBondContact OG-O 2.8Å; S94-P213 WeakPolarHBondContact OG-CA 3.36Å; S94-A214 PolarHBondContact O-N 2.85Å
95K85.6Confident87.6Confident131 Ų13151.6 Ų51.657%0.5727%0.269SS*.PPolyproline II helixtrans-55.3120.7-177.2-175177.8175.1-178.20110W207K95-W207 HydrophobicContact CB-CB 4.04Å; K95-W207 HydrophobicContact CB-CD2 4.15Å; K95-W207 HydrophobicContact CB-CG 3.7Å; K95-W207 HydrophobicContact CG-CD2 4.46Å; K95-W207 HydrophobicContact CG-CG 4.2Å
96P83.9Confident87.6Confident7 Ų751.8 Ų51.85%0.04527%0.274CS..PPolyproline II helixtrans-74.1172.2177.933.3-36.9000111.1S94 D100 L101 I104 W207 A214S94-P96 WeakPolarHBondContact O-CD 3.25Å; P96-D100 HydrophobicContact CB-CB 3.8Å; P96-L101 HydrophobicContact CG-CB 4.15Å; P96-L101 HydrophobicContact CG-CD1 4.12Å; P96-I104 HydrophobicContact CB-CD1 4.17Å; P96-I104 HydrophobicContact CG-CD1 3.82Å; P96-W207 VanDerWaalsContact CD-CH2 3.41Å; P96-W207 HydrophobicContact CG-CH2 3.73Å; P96-W207 HydrophobicContact CG-CZ2 3.98Å; P96-W207 HydrophobicContact CG-CZ3 4.17Å; P96-A214 HydrophobicContact CB-CB 4.23Å; P96-A214 HydrophobicContact CG-CB 4.23Å
97S83.4Confident87.6Confident58 Ų5853.8 Ų53.841%0.40629%0.287SS..PPolyproline II helixtrans-62.6157.2170.576.50000110.7S99 D100 L101S97-S99 PolarHBondContact O-N 3.05Å; S97-D100 PolarHBondContact O-N 2.83Å; S97-D100 WeakPolarHBondContact OG-CB 3.44Å; S97-D100 PolarHBondContact OG-N 3.04Å; S97-D100 PolarHBondContact OG-OD2 3.34Å; S97-L101 WeakPolarHBondContact O-CB 3.21Å; S97-L101 PolarHBondContact O-N 2.92Å
98D82.1Confident87.7Confident111 Ų11153.7 Ų53.759%0.59429%0.287SS*.Hα-helixtrans-59.9-30179.9-66.4-22.5000112.6K102D98-K102 WeakPolarHBondContact O-CG 3.48Å; D98-K102 PolarHBondContact O-N 3.21Å
99S84.6Confident87.9Confident84 Ų8451.2 Ų51.259%0.58728%0.284SS*.Hα-helixtrans-68.3-45.5173.9-59.50000111.8S97 K102 L103S97-S99 PolarHBondContact O-N 3.05Å; S99-K102 PolarHBondContact O-N 3.08Å; S99-L103 PolarHBondContact O-N 2.93Å
100D84.9Confident88.2Confident67 Ų6754.7 Ų54.736%0.35830%0.302SS..Hα-helixtrans-70.1-34.4178.3-65.6-40.7000111.8P96 S97 K102 L103 I104P96-D100 HydrophobicContact CB-CB 3.8Å; S97-D100 PolarHBondContact O-N 2.83Å; S97-D100 WeakPolarHBondContact OG-CB 3.44Å; S97-D100 PolarHBondContact OG-N 3.04Å; S97-D100 PolarHBondContact OG-OD2 3.34Å; D100-K102 VanDerWaalsContact C-N 3.33Å; D100-K102 PolarHBondContact O-N 3.12Å; D100-L103 WeakPolarHBondContact O-CB 3.5Å; D100-L103 PolarHBondContact O-N 2.81Å; D100-I104 WeakPolarHBondContact O-CG1 3.43Å; D100-I104 PolarHBondContact O-N 2.8Å
101L86.6Confident88.6Confident28 Ų2855.9 Ų55.915%0.14731%0.308CS..Hα-helixtrans-58.5-46.2173.8-176.271.8000110.7P96 S97 L103 I104 I105 W207P96-L101 HydrophobicContact CG-CB 4.15Å; P96-L101 HydrophobicContact CG-CD1 4.12Å; S97-L101 WeakPolarHBondContact O-CB 3.21Å; S97-L101 PolarHBondContact O-N 2.92Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 3.18Å; L101-I104 PolarHBondContact O-N 3.4Å; L101-I105 HydrophobicContact CD1-CD1 4.06Å; L101-I105 HydrophobicContact CD2-CD1 4.49Å; L101-I105 HydrophobicContact CG-CD1 3.9Å; L101-I105 WeakPolarHBondContact O-CG1 3.19Å; L101-I105 PolarHBondContact O-N 3.13Å; L101-W207 HydrophobicContact CD1-CH2 4.15Å; L101-W207 HydrophobicContact CD1-CZ2 3.42Å; L101-W207 VanDerWaalsContact CD1-CZ2 3.42Å
102K89.8Confident89Confident148 Ų14855.6 Ų55.664%0.64330%0.303SS*.Hα-helixtrans-58.1-46.7175-72.1172.3-175.6179.50110.7D98 S99 D100 I104 I105 T106D98-K102 WeakPolarHBondContact O-CG 3.48Å; D98-K102 PolarHBondContact O-N 3.21Å; S99-K102 PolarHBondContact O-N 3.08Å; D100-K102 VanDerWaalsContact C-N 3.33Å; D100-K102 PolarHBondContact O-N 3.12Å; K102-I104 VanDerWaalsContact C-N 3.29Å; K102-I104 PolarHBondContact O-N 3.1Å; K102-I105 PolarHBondContact O-N 2.89Å; K102-I105 VanDerWaalsContact O-N 3.13Å; K102-T106 PolarHBondContact O-N 2.88Å; K102-T106 PolarHBondContact O-OG1 2.75Å
103L89.7Confident89.6Confident101 Ų10154.1 Ų54.153%0.52930%0.296SS..Hα-helixtrans-61.3-35.2178-67.3175.5000113.2S99 D100 L101 P107 A216S99-L103 PolarHBondContact O-N 2.93Å; D100-L103 WeakPolarHBondContact O-CB 3.5Å; D100-L103 PolarHBondContact O-N 2.81Å; L101-L103 VanDerWaalsContact C-N 3.33Å; L101-L103 PolarHBondContact O-N 3.18Å; L103-P107 WeakPolarHBondContact O-CD 3.33Å; L103-A216 HydrophobicContact CB-CB 4.23Å
104I88.6Confident90.1Very high1 Ų158.5 Ų58.51%0.00532%0.316CS..Hα-helixtrans-70.3-34.5176-70.6161.6000111.6I86 L89 P96 D100 L101 K102 P107 A214 A216I86-I104 HydrophobicContact CG1-CG2 4.19Å; I86-I104 HydrophobicContact CG2-CG2 4.12Å; L89-I104 HydrophobicContact CD2-CD1 4.15Å; L89-I104 HydrophobicContact CD2-CG1 4.27Å; L89-I104 HydrophobicContact CD2-CG2 3.99Å; P96-I104 HydrophobicContact CB-CD1 4.17Å; P96-I104 HydrophobicContact CG-CD1 3.82Å; D100-I104 WeakPolarHBondContact O-CG1 3.43Å; D100-I104 PolarHBondContact O-N 2.8Å; L101-I104 PolarHBondContact O-N 3.4Å; K102-I104 VanDerWaalsContact C-N 3.29Å; K102-I104 PolarHBondContact O-N 3.1Å; I104-P107 WeakPolarHBondContact O-CD 3.49Å; I104-A214 HydrophobicContact CD1-CB 3.7Å; I104-A216 HydrophobicContact CG1-CB 4.24Å
105I91.4Very high90.8Very high19 Ų1957.3 Ų57.310%0.09731%0.308CS..Hα-helixtrans-86.7-25.3-177.9-62.9173.2000112.2L101 K102 P107 L108 G109 L144 S145L101-I105 HydrophobicContact CD1-CD1 4.06Å; L101-I105 HydrophobicContact CD2-CD1 4.49Å; L101-I105 HydrophobicContact CG-CD1 3.9Å; L101-I105 WeakPolarHBondContact O-CG1 3.19Å; L101-I105 PolarHBondContact O-N 3.13Å; K102-I105 PolarHBondContact O-N 2.89Å; K102-I105 VanDerWaalsContact O-N 3.13Å; I105-P107 VanDerWaalsContact C-CD 3.45Å; I105-P107 VanDerWaalsContact C-N 3.35Å; I105-L108 WeakPolarHBondContact O-CA 3.47Å; I105-L108 WeakPolarHBondContact O-CB 3.27Å; I105-L108 PolarHBondContact O-N 2.83Å; I105-G109 PolarHBondContact O-N 2.76Å; I105-L144 HydrophobicContact CD1-CB 4.03Å; I105-S145 VanDerWaalsContact CD1-OG 3.28Å; I105-S145 WeakPolarHBondContact CD1-OG 3.14Å
106T92.6Very high91.3Very high64 Ų6453.4 Ų53.439%0.39329%0.293SS..Hα-helixtrans-48.3-44.7179.9-64.10000114.2K102 L108 G109 N110K102-T106 PolarHBondContact O-N 2.88Å; K102-T106 PolarHBondContact O-OG1 2.75Å; T106-L108 VanDerWaalsContact C-N 3.29Å; T106-L108 PolarHBondContact O-N 2.82Å; T106-G109 PolarHBondContact O-N 3.02Å; T106-G109 VanDerWaalsContact O-N 3.11Å; T106-N110 PolarHBondContact O-N 3.41Å
107P93.2Very high91.9Very high43 Ų4358.1 Ų58.128%0.27931%0.313SS..Hα-helixtrans-58.4-38176.8-25.735.8000113.6M82 L103 I104 I105 L111 L219M82-P107 HydrophobicContact CE-CB 4.19Å; M82-P107 HydrophobicContact CG-CB 4.41Å; M82-P107 HydrophobicContact SD-CB 4.02Å; L103-P107 WeakPolarHBondContact O-CD 3.33Å; I104-P107 WeakPolarHBondContact O-CD 3.49Å; I105-P107 VanDerWaalsContact C-CD 3.45Å; I105-P107 VanDerWaalsContact C-N 3.35Å; P107-L111 WeakPolarHBondContact O-CG 3.33Å; P107-L111 PolarHBondContact O-N 3.14Å; P107-L219 HydrophobicContact CG-CD2 4.28Å
108L94.6Very high92.6Very high1 Ų157.5 Ų57.51%0.00530%0.303CS..Hα-helixtrans-68.7-42.5174.4178.865000111.1C79 M82 Q83 I86 I105 T106 N110 L111 I112 L144C79-L108 HydrophobicContact CB-CD1 3.97Å; C79-L108 VanDerWaalsContact O-CD1 3.26Å; C79-L108 WeakPolarHBondContact O-CD1 3.4Å; M82-L108 HydrophobicContact CB-CD1 4.33Å; M82-L108 HydrophobicContact CG-CB 4.09Å; M82-L108 HydrophobicContact CG-CD1 4.47Å; Q83-L108 HydrophobicContact CB-CD1 4.4Å; Q83-L108 HydrophobicContact CB-CD2 4.29Å; I86-L108 HydrophobicContact CD1-CB 4Å; I86-L108 HydrophobicContact CD1-CD2 4.33Å; I105-L108 WeakPolarHBondContact O-CA 3.47Å; I105-L108 WeakPolarHBondContact O-CB 3.27Å; I105-L108 PolarHBondContact O-N 2.83Å; T106-L108 VanDerWaalsContact C-N 3.29Å; T106-L108 PolarHBondContact O-N 2.82Å; L108-N110 VanDerWaalsContact C-N 3.32Å; L108-N110 PolarHBondContact O-N 2.8Å; L108-L111 PolarHBondContact O-N 2.84Å; L108-I112 HydrophobicContact CD1-CD1 4.44Å; L108-I112 HydrophobicContact CG-CD1 4.04Å; L108-I112 WeakPolarHBondContact O-CG1 3.29Å; L108-I112 PolarHBondContact O-N 3.45Å; L108-L144 HydrophobicContact CD2-CD1 3.49Å; L108-L144 VanDerWaalsContact CD2-CD1 3.49Å
109G94.4Very high93.3Very high26 Ų2653.2 Ų53.227%0.26828%0.279SS..Hα-helixtrans-56.9-44.117500000112.5I105 T106 L111 I112 E113I105-G109 PolarHBondContact O-N 2.76Å; T106-G109 PolarHBondContact O-N 3.02Å; T106-G109 VanDerWaalsContact O-N 3.11Å; G109-L111 PolarHBondContact O-N 2.81Å; G109-I112 WeakPolarHBondContact O-CB 3.31Å; G109-I112 PolarHBondContact O-N 2.72Å; G109-E113 PolarHBondContact O-N 3.29Å
110N96.1Very high93.7Very high81 Ų8151.5 Ų51.543%0.43326%0.263SS..Hα-helixtrans-62-42.7176.6-68.3-14.3000112.1T106 L108 I112 E113 E114T106-N110 PolarHBondContact O-N 3.41Å; L108-N110 VanDerWaalsContact C-N 3.32Å; L108-N110 PolarHBondContact O-N 2.8Å; N110-I112 VanDerWaalsContact C-N 3.35Å; N110-E113 WeakPolarHBondContact O-CB 3.4Å; N110-E113 PolarHBondContact O-N 3.37Å; N110-E114 WeakPolarHBondContact O-CG 3.49Å; N110-E114 PolarHBondContact O-N 2.87Å
111L97Very high94.3Very high27 Ų2754.8 Ų54.814%0.14128%0.281CS..Hα-helixtrans-64.1-40176.1-70.7171000111.8K78 M82 P107 L108 G109 E114 V115K78-L111 HydrophobicContact CB-CD1 4.48Å; K78-L111 HydrophobicContact CB-CD2 4.31Å; M82-L111 HydrophobicContact CB-CD1 3.67Å; M82-L111 HydrophobicContact CE-CD1 4.36Å; M82-L111 HydrophobicContact CG-CD1 4.02Å; P107-L111 WeakPolarHBondContact O-CG 3.33Å; P107-L111 PolarHBondContact O-N 3.14Å; L108-L111 PolarHBondContact O-N 2.84Å; G109-L111 PolarHBondContact O-N 2.81Å; L111-E114 WeakPolarHBondContact O-CB 3.48Å; L111-E114 PolarHBondContact O-N 3.08Å; L111-V115 WeakPolarHBondContact O-CG2 3.24Å; L111-V115 PolarHBondContact O-N 3.39Å
112I96.9Very high94.7Very high19 Ų1955.1 Ų55.110%0.09728%0.283CS..Hα-helixtrans-61.5-44.8174.1-69.1167.6000110.3L108 G109 N110 E114 V115 I116 V138 T139 L141L108-I112 HydrophobicContact CD1-CD1 4.44Å; L108-I112 HydrophobicContact CG-CD1 4.04Å; L108-I112 WeakPolarHBondContact O-CG1 3.29Å; L108-I112 PolarHBondContact O-N 3.45Å; G109-I112 WeakPolarHBondContact O-CB 3.31Å; G109-I112 PolarHBondContact O-N 2.72Å; N110-I112 VanDerWaalsContact C-N 3.35Å; I112-E114 VanDerWaalsContact C-N 3.31Å; I112-E114 PolarHBondContact O-N 3.39Å; I112-V115 WeakPolarHBondContact O-CB 3.42Å; I112-V115 PolarHBondContact O-N 3.06Å; I112-V115 VanDerWaalsContact O-N 3.17Å; I112-I116 HydrophobicContact CG2-CD1 3.97Å; I112-I116 WeakPolarHBondContact O-CG1 3.43Å; I112-I116 PolarHBondContact O-N 2.73Å; I112-V138 HydrophobicContact CG1-CG2 4.38Å; I112-V138 HydrophobicContact CG2-CG1 4.15Å; I112-T139 HydrophobicContact CG2-CG2 4.5Å; I112-L141 HydrophobicContact CD1-CB 4.04Å
113E96.8Very high94.8Very high96 Ų9655.4 Ų55.445%0.44928%0.28SS..Hα-helixtrans-60.8-38.7175.1-76.6-171.2-163.400112.7G109 N110 V115 I116 K117G109-E113 PolarHBondContact O-N 3.29Å; N110-E113 WeakPolarHBondContact O-CB 3.4Å; N110-E113 PolarHBondContact O-N 3.37Å; E113-V115 VanDerWaalsContact C-N 3.34Å; E113-I116 PolarHBondContact O-N 3.42Å; E113-K117 WeakPolarHBondContact O-CB 3.3Å; E113-K117 VanDerWaalsContact O-CG 3.28Å; E113-K117 WeakPolarHBondContact O-CG 3.25Å; E113-K117 PolarHBondContact O-N 3.19Å; E113-K117 IonicContact OE2-NZ 3.85Å; E113-K117 PolarHBondContact OE2-NZ 3.13Å
114E97Very high94.9Very high92 Ų9256.5 Ų56.543%0.4330%0.296SS..Hα-helixtrans-61.5-42.8174.5-73178.1-154.500111.3M75 N110 L111 I112 I116 K117 F118M75-E114 HydrophobicContact CE-CB 3.54Å; M75-E114 VanDerWaalsContact CE-O 3.27Å; M75-E114 WeakPolarHBondContact CE-O 3.27Å; N110-E114 WeakPolarHBondContact O-CG 3.49Å; N110-E114 PolarHBondContact O-N 2.87Å; L111-E114 WeakPolarHBondContact O-CB 3.48Å; L111-E114 PolarHBondContact O-N 3.08Å; I112-E114 VanDerWaalsContact C-N 3.31Å; I112-E114 PolarHBondContact O-N 3.39Å; E114-I116 VanDerWaalsContact C-N 3.31Å; E114-I116 PolarHBondContact O-N 3.16Å; E114-K117 PolarHBondContact O-N 3.31Å; E114-F118 WeakPolarHBondContact O-CB 3.3Å; E114-F118 PolarHBondContact O-N 3.49Å
115V97.4Very high95.1Very high0 Ų057.4 Ų57.40%030%0.303CS..Hα-helixtrans-60.1-42.1175.8175.10000110.8H72 M75 V76 L111 I112 E113 F118 K119 V134 V138H72-V115 WeakPolarHBondContact NE2-CG1 3.48Å; H72-V115 PolarHBondContact NE2-O 3.31Å; M75-V115 HydrophobicContact CB-CG2 3.66Å; V76-V115 HydrophobicContact CG2-CG1 4.17Å; V76-V115 HydrophobicContact CG2-CG2 4.42Å; L111-V115 WeakPolarHBondContact O-CG2 3.24Å; L111-V115 PolarHBondContact O-N 3.39Å; I112-V115 WeakPolarHBondContact O-CB 3.42Å; I112-V115 PolarHBondContact O-N 3.06Å; I112-V115 VanDerWaalsContact O-N 3.17Å; E113-V115 VanDerWaalsContact C-N 3.34Å; V115-F118 PolarHBondContact O-N 3.2Å; V115-K119 PolarHBondContact O-N 2.94Å; V115-V134 HydrophobicContact CG1-CG1 4.13Å; V115-V138 HydrophobicContact CB-CG1 4.3Å; V115-V138 HydrophobicContact CG1-CB 4.19Å; V115-V138 HydrophobicContact CG1-CG1 3.8Å; V115-V138 HydrophobicContact CG1-CG2 4.19Å; V115-V138 HydrophobicContact CG2-CG2 4.48Å
116I97.1Very high95.2Very high48 Ų4863.9 Ų63.925%0.24633%0.33CS..Hα-helixtrans-69.3-45.7178.1-64.2166.8000111I112 E113 E114 F118 K119 D120 A135 V138 T139I112-I116 HydrophobicContact CG2-CD1 3.97Å; I112-I116 WeakPolarHBondContact O-CG1 3.43Å; I112-I116 PolarHBondContact O-N 2.73Å; E113-I116 PolarHBondContact O-N 3.42Å; E114-I116 VanDerWaalsContact C-N 3.31Å; E114-I116 PolarHBondContact O-N 3.16Å; I116-F118 PolarHBondContact O-N 3Å; I116-K119 WeakPolarHBondContact O-CB 3.38Å; I116-K119 PolarHBondContact O-N 3.28Å; I116-K119 VanDerWaalsContact O-N 3.14Å; I116-D120 PolarHBondContact O-N 3.37Å; I116-D120 VanDerWaalsContact O-N 3.12Å; I116-A135 HydrophobicContact CG1-CB 4.27Å; I116-V138 HydrophobicContact CG1-CG1 4.43Å; I116-T139 HydrophobicContact CD1-CG2 4.27Å
117K96.8Very high95.3Very high107 Ų10761.7 Ų61.747%0.46532%0.315SS..Hα-helixtrans-60.8-34.9176.4-75.7168-176.4152.80111.7E113 E114 K119 D120 N121E113-K117 WeakPolarHBondContact O-CB 3.3Å; E113-K117 VanDerWaalsContact O-CG 3.28Å; E113-K117 WeakPolarHBondContact O-CG 3.25Å; E113-K117 PolarHBondContact O-N 3.19Å; E113-K117 IonicContact OE2-NZ 3.85Å; E113-K117 PolarHBondContact OE2-NZ 3.13Å; E114-K117 PolarHBondContact O-N 3.31Å; K117-K119 PolarHBondContact O-N 2.96Å; K117-D120 PolarHBondContact O-N 3.39Å; K117-N121 WeakPolarHBondContact O-CB 3.5Å; K117-N121 VanDerWaalsContact O-CG 3.28Å; K117-N121 PolarHBondContact O-N 2.98Å; K117-N121 PolarHBondContact O-ND2 2.97Å
118F96.9Very high95.5Very high44 Ų4462.7 Ų62.719%0.19332%0.315CS..Hα-helixtrans-61.5-42.9175.3-171.7-90.4000112I68 N71 H72 M75 E114 V115 I116 N122 L131I68-F118 HydrophobicContact CG2-CE1 3.81Å; I68-F118 HydrophobicContact CG2-CZ 4.1Å; I68-F118 WeakPolarHBondContact O-CE1 3.45Å; N71-F118 HydrophobicContact CB-CZ 4.08Å; H72-F118 HydrophobicContact CB-CD1 3.96Å; H72-F118 HydrophobicContact CB-CE1 3.88Å; H72-F118 AromaticContact CD2-CD1 3.41Å; H72-F118 VanDerWaalsContact CD2-CD1 3.41Å; H72-F118 WeakPolarHBondContact CD2-CD1 3.39Å; H72-F118 AromaticContact CD2-CG 3.99Å; H72-F118 AromaticContact CG-CD1 3.9Å; M75-F118 HydrophobicContact CE-CB 4.08Å; M75-F118 HydrophobicContact SD-CB 3.85Å; M75-F118 HydrophobicContact SD-CD2 3.74Å; M75-F118 HydrophobicContact SD-CE2 4.44Å; M75-F118 HydrophobicContact SD-CG 3.8Å; E114-F118 WeakPolarHBondContact O-CB 3.3Å; E114-F118 PolarHBondContact O-N 3.49Å; V115-F118 PolarHBondContact O-N 3.2Å; I116-F118 PolarHBondContact O-N 3Å; F118-N122 WeakPolarHBondContact O-CB 3.37Å; F118-N122 PolarHBondContact O-N 2.78Å; F118-N122 PolarHBondContact O-ND2 3.35Å; F118-L131 HydrophobicContact CD1-CD2 4.22Å; F118-L131 HydrophobicContact CE1-CD2 4.08Å
119K96.5Very high95.5Very high22 Ų2263.6 Ų63.610%0.09632%0.32CS..Hα-helixtrans-57.4-50.9170.5173-160.969.8-175.80110.6V115 I116 K117 N121 N122 R123 F128 L131 A135 E136V115-K119 PolarHBondContact O-N 2.94Å; I116-K119 WeakPolarHBondContact O-CB 3.38Å; I116-K119 PolarHBondContact O-N 3.28Å; I116-K119 VanDerWaalsContact O-N 3.14Å; K117-K119 PolarHBondContact O-N 2.96Å; K119-N121 VanDerWaalsContact C-N 3.27Å; K119-N121 PolarHBondContact O-N 2.89Å; K119-N122 CarbonylContact O-C 2.99Å; K119-N122 PolarHBondContact O-N 3.16Å; K119-R123 PolarHBondContact O-N 2.86Å; K119-F128 HydrophobicContact CD-CE2 4.26Å; K119-F128 HydrophobicContact CD-CZ 4.39Å; K119-F128 HydrophobicContact CG-CD2 4.29Å; K119-F128 HydrophobicContact CG-CE2 3.71Å; K119-F128 HydrophobicContact CG-CZ 4.33Å; K119-L131 HydrophobicContact CB-CB 3.98Å; K119-L131 HydrophobicContact CG-CB 3.92Å; K119-A135 HydrophobicContact CB-CB 4.02Å; K119-A135 HydrophobicContact CD-CB 3.66Å; K119-A135 HydrophobicContact CG-CB 4.37Å; K119-E136 IonicContact NZ-OE1 2.75Å; K119-E136 PolarHBondContact NZ-OE1 3.08Å
120D94.4Very high95.7Very high48 Ų4862.4 Ų62.426%0.25731%0.307SS..Hα-helixtrans-63.3-32.2-173.9-76.6-15.5000113.5I116 K117 N122 R123I116-D120 PolarHBondContact O-N 3.37Å; I116-D120 VanDerWaalsContact O-N 3.12Å; K117-D120 PolarHBondContact O-N 3.39Å; D120-N122 VanDerWaalsContact C-N 3.31Å; D120-R123 VanDerWaalsContact O-CG 3.32Å; D120-R123 WeakPolarHBondContact O-CG 3.44Å; D120-R123 PolarHBondContact O-NH1 3.18Å; D120-R123 IonicContact OD1-CZ 2.87Å; D120-R123 IonicContact OD1-NE 2.67Å; D120-R123 IonicContact OD1-NH2 2.72Å; D120-R123 PolarHBondContact OD1-NH2 3.41Å; D120-R123 IonicContact OD2-NH2 3.11Å; D120-R123 PolarHBondContact OD2-NH2 2.65Å
121N95.9Very high95.7Very high135 Ų13558.5 Ų58.572%0.72229%0.287SS*.Hα-helixtrans-77.3-17.1174.6-69.3-19.4000113.2K117 K119K117-N121 WeakPolarHBondContact O-CB 3.5Å; K117-N121 VanDerWaalsContact O-CG 3.28Å; K117-N121 PolarHBondContact O-N 2.98Å; K117-N121 PolarHBondContact O-ND2 2.97Å; K119-N121 VanDerWaalsContact C-N 3.27Å; K119-N121 PolarHBondContact O-N 2.89Å
122N94.8Very high95.7Very high36 Ų3657.3 Ų57.319%0.19328%0.281CS..THydrogen-bonded Turntrans-110.831.6-178.3-73.2-83.8000112.3F118 K119 D120 S124 S125 L131F118-N122 WeakPolarHBondContact O-CB 3.37Å; F118-N122 PolarHBondContact O-N 2.78Å; F118-N122 PolarHBondContact O-ND2 3.35Å; K119-N122 CarbonylContact O-C 2.99Å; K119-N122 PolarHBondContact O-N 3.16Å; D120-N122 VanDerWaalsContact C-N 3.31Å; N122-S124 PolarHBondContact O-N 3.49Å; N122-S125 WeakPolarHBondContact O-CB 3.47Å; N122-S125 PolarHBondContact O-N 2.74Å; N122-L131 HydrophobicContact CB-CD1 3.53Å
123R92.6Very high95.7Very high153 Ų15356.4 Ų56.458%0.57728%0.276SS*.THydrogen-bonded Turntrans-58-28.9-178.3-81.5177.2-177.1111.6-3.7115.2K119 D120 S125 F128K119-R123 PolarHBondContact O-N 2.86Å; D120-R123 VanDerWaalsContact O-CG 3.32Å; D120-R123 WeakPolarHBondContact O-CG 3.44Å; D120-R123 PolarHBondContact O-NH1 3.18Å; D120-R123 IonicContact OD1-CZ 2.87Å; D120-R123 IonicContact OD1-NE 2.67Å; D120-R123 IonicContact OD1-NH2 2.72Å; D120-R123 PolarHBondContact OD1-NH2 3.41Å; D120-R123 IonicContact OD2-NH2 3.11Å; D120-R123 PolarHBondContact OD2-NH2 2.65Å; R123-S125 VanDerWaalsContact C-N 3.3Å; R123-F128 HydrophobicContact CB-CE2 4.23Å; R123-F128 HydrophobicContact CG-CD2 4.37Å; R123-F128 HydrophobicContact CG-CE2 3.64Å; R123-F128 HydrophobicContact CG-CZ 4.19Å
124S92.3Very high95.8Very high125 Ų12551.9 Ų51.987%0.87426%0.255SS*.THydrogen-bonded Turntrans-84.4-1.9176.853.30000113.6N122N122-S124 PolarHBondContact O-N 3.49Å
125S92.9Very high95.7Very high20 Ų2047.6 Ų47.614%0.1424%0.235CC..  trans-68.4138.2-178.9-178.40000111.5N122 R123 F127 F128N122-S125 WeakPolarHBondContact O-CB 3.47Å; N122-S125 PolarHBondContact O-N 2.74Å; R123-S125 VanDerWaalsContact C-N 3.3Å; S125-F127 PolarHBondContact O-N 3.37Å; S125-F127 VanDerWaalsContact O-N 3.14Å; S125-F127 PolarHBondContact OG-N 3.11Å; S125-F127 VanDerWaalsContact OG-N 3.16Å; S125-F128 VanDerWaalsContact O-CB 3.26Å; S125-F128 WeakPolarHBondContact O-CB 3.48Å; S125-F128 PolarHBondContact O-N 3.02Å
126K93.2Very high95.6Very high155 Ų15551 Ų5167%0.67425%0.251SS*.THydrogen-bonded Turntrans-59-22.4169.467.8-178-174.3174.50113F128K126-F128 VanDerWaalsContact C-N 3.35Å
127F94.9Very high95.6Very high18 Ų1848.7 Ų48.78%0.07924%0.239CC..THydrogen-bonded Turntrans-96.120.2177.7-55.9-58.7000112.8I65 V69 S125 N129 H130 L131I65-F127 HydrophobicContact CG2-CD1 3.79Å; I65-F127 HydrophobicContact CG2-CE1 3.4Å; I65-F127 HydrophobicContact CG2-CE2 4.22Å; I65-F127 HydrophobicContact CG2-CG 4.34Å; I65-F127 HydrophobicContact CG2-CZ 3.59Å; I65-F127 VanDerWaalsContact O-CZ 3.3Å; I65-F127 WeakPolarHBondContact O-CZ 3.42Å; V69-F127 HydrophobicContact CG2-CB 3.63Å; V69-F127 HydrophobicContact CG2-CD1 4.38Å; V69-F127 HydrophobicContact CG2-CD2 3.95Å; V69-F127 HydrophobicContact CG2-CG 3.76Å; S125-F127 PolarHBondContact O-N 3.37Å; S125-F127 VanDerWaalsContact O-N 3.14Å; S125-F127 PolarHBondContact OG-N 3.11Å; S125-F127 VanDerWaalsContact OG-N 3.16Å; F127-N129 PolarHBondContact O-N 3.06Å; F127-H130 HydrophobicContact CB-CB 4.35Å; F127-H130 AromaticContact CD1-CE1 3.93Å; F127-H130 AromaticContact CD1-ND1 3.88Å; F127-H130 WeakPolarHBondContact O-CB 3.5Å; F127-H130 PolarHBondContact O-N 3.09Å; F127-L131 PolarHBondContact O-N 2.95Å; F127-L131 VanDerWaalsContact O-N 3.08Å
128F96.3Very high95.6Very high63 Ų6343.6 Ų43.628%0.27622%0.217SC..Hα-helixtrans-57.2-33.3-178-177-105.6000113K119 R123 S125 K126 L131 S132K119-F128 HydrophobicContact CD-CE2 4.26Å; K119-F128 HydrophobicContact CD-CZ 4.39Å; K119-F128 HydrophobicContact CG-CD2 4.29Å; K119-F128 HydrophobicContact CG-CE2 3.71Å; K119-F128 HydrophobicContact CG-CZ 4.33Å; R123-F128 HydrophobicContact CB-CE2 4.23Å; R123-F128 HydrophobicContact CG-CD2 4.37Å; R123-F128 HydrophobicContact CG-CE2 3.64Å; R123-F128 HydrophobicContact CG-CZ 4.19Å; S125-F128 VanDerWaalsContact O-CB 3.26Å; S125-F128 WeakPolarHBondContact O-CB 3.48Å; S125-F128 PolarHBondContact O-N 3.02Å; K126-F128 VanDerWaalsContact C-N 3.35Å; F128-L131 PolarHBondContact O-N 3.45Å; F128-S132 WeakPolarHBondContact CE1-OG 3.43Å; F128-S132 VanDerWaalsContact O-CB 3.3Å; F128-S132 WeakPolarHBondContact O-CB 3.23Å; F128-S132 PolarHBondContact O-N 3.38Å; F128-S132 PolarHBondContact O-OG 2.95Å
129N95.9Very high95.5Very high20 Ų2043.1 Ų43.111%0.10722%0.217CC..Hα-helixtrans-67.2-37.3174.6-71.9-44.1000112.6F127 S132 A133 I168 E171F127-N129 PolarHBondContact O-N 3.06Å; N129-S132 PolarHBondContact O-N 2.81Å; N129-A133 WeakPolarHBondContact O-CB 3.43Å; N129-A133 PolarHBondContact O-N 3.44Å; N129-I168 HydrophobicContact CB-CD1 4.35Å; N129-I168 HydrophobicContact CB-CG1 3.65Å; N129-E171 PolarHBondContact ND2-OE1 3.11Å; N129-E171 PolarHBondContact ND2-OE2 3.24Å
130H97.1Very high95.5Very high1 Ų142 Ų421%0.00521%0.213CC..Hα-helixtrans-61.2-48.2172.5-57.671.8000110.8V69 F127 S132 A133 V134 I168 Y172 H179 W182V69-H130 HydrophobicContact CG1-CB 4.39Å; V69-H130 HydrophobicContact CG2-CB 4.15Å; F127-H130 HydrophobicContact CB-CB 4.35Å; F127-H130 AromaticContact CD1-CE1 3.93Å; F127-H130 AromaticContact CD1-ND1 3.88Å; F127-H130 WeakPolarHBondContact O-CB 3.5Å; F127-H130 PolarHBondContact O-N 3.09Å; H130-S132 VanDerWaalsContact C-N 3.28Å; H130-S132 PolarHBondContact O-N 2.97Å; H130-A133 PolarHBondContact O-N 2.9Å; H130-V134 WeakPolarHBondContact O-CG2 3.21Å; H130-V134 PolarHBondContact O-N 2.74Å; H130-V134 VanDerWaalsContact O-N 3.15Å; H130-I168 HydrophobicContact CB-CD1 4.17Å; H130-I168 VanDerWaalsContact NE2-CG2 3.31Å; H130-I168 WeakPolarHBondContact NE2-CG2 3.44Å; H130-Y172 AromaticContact CE1-CE2 3.95Å; H130-H179 AromaticContact CE1-CE1 3.87Å; H130-H179 AromaticContact CE1-ND1 3.75Å; H130-H179 AromaticContact NE2-CE1 3.54Å; H130-H179 AromaticContact NE2-CG 3.96Å; H130-H179 AromaticContact NE2-ND1 3.03Å; H130-H179 PolarHBondContact NE2-ND1 3.26Å; H130-W182 HydrophobicContact CB-CH2 3.98Å; H130-W182 HydrophobicContact CB-CZ2 4.07Å; H130-W182 AromaticContact CD2-CD2 3.98Å; H130-W182 AromaticContact CD2-CE3 3.83Å; H130-W182 AromaticContact CD2-CZ3 3.93Å
131L97.4Very high95.5Very high0 Ų039.8 Ų39.80%020%0.201CC..Hα-helixtrans-63.3-36.6177.8-58.2-178.4000111.8I68 H72 F118 K119 N122 F127 F128 A135I68-L131 HydrophobicContact CG2-CD1 3.95Å; I68-L131 HydrophobicContact CG2-CD2 4.22Å; H72-L131 HydrophobicContact CB-CD2 3.63Å; H72-L131 PolarHBondContact CE1-O 2.79Å; H72-L131 WeakPolarHBondContact ND1-CD2 3.39Å; F118-L131 HydrophobicContact CD1-CD2 4.22Å; F118-L131 HydrophobicContact CE1-CD2 4.08Å; K119-L131 HydrophobicContact CB-CB 3.98Å; K119-L131 HydrophobicContact CG-CB 3.92Å; N122-L131 HydrophobicContact CB-CD1 3.53Å; F127-L131 PolarHBondContact O-N 2.95Å; F127-L131 VanDerWaalsContact O-N 3.08Å; F128-L131 PolarHBondContact O-N 3.45Å; L131-A135 WeakPolarHBondContact O-CB 3.35Å; L131-A135 PolarHBondContact O-N 3.26Å
132S97.1Very high95.4Very high2 Ų234.3 Ų34.31%0.01418%0.177CC..Hα-helixtrans-67.7-47.1176.7-60.20000111.8F128 N129 H130 V134 A135 E136F128-S132 WeakPolarHBondContact CE1-OG 3.43Å; F128-S132 VanDerWaalsContact O-CB 3.3Å; F128-S132 WeakPolarHBondContact O-CB 3.23Å; F128-S132 PolarHBondContact O-N 3.38Å; F128-S132 PolarHBondContact O-OG 2.95Å; N129-S132 PolarHBondContact O-N 2.81Å; H130-S132 VanDerWaalsContact C-N 3.28Å; H130-S132 PolarHBondContact O-N 2.97Å; S132-V134 VanDerWaalsContact C-N 3.26Å; S132-V134 PolarHBondContact O-N 2.82Å; S132-A135 PolarHBondContact O-N 3.14Å; S132-E136 WeakPolarHBondContact O-CG 3.36Å; S132-E136 PolarHBondContact O-N 3.03Å
133A97.1Very high95.4Very high0 Ų032.6 Ų32.60%017%0.167CC..Hα-helixtrans-54.8-44.4176.300000111.9N129 H130 S137 G161 F164 M165 I168 W182N129-A133 WeakPolarHBondContact O-CB 3.43Å; N129-A133 PolarHBondContact O-N 3.44Å; H130-A133 PolarHBondContact O-N 2.9Å; A133-S137 WeakPolarHBondContact O-CB 3.31Å; A133-S137 PolarHBondContact O-N 3Å; A133-S137 VanDerWaalsContact O-N 3.14Å; A133-S137 PolarHBondContact O-OG 2.85Å; A133-G161 WeakPolarHBondContact O-CA 3.12Å; A133-F164 HydrophobicContact CB-CB 3.68Å; A133-M165 HydrophobicContact CB-CG 3.79Å; A133-I168 HydrophobicContact CB-CD1 4.45Å; A133-W182 HydrophobicContact CB-CH2 4.1Å; A133-W182 HydrophobicContact CB-CZ3 4.5Å
134V97.5Very high95.3Very high1 Ų125.6 Ų25.61%0.00614%0.141CC..Hα-helixtrans-72.4-43.2179.3175.50000111.6Y58 H72 V76 V115 H130 S132 E136 S137 V138 W182 L186Y58-V134 HydrophobicContact CE2-CG2 4.48Å; Y58-V134 WeakPolarHBondContact OH-CG2 3.31Å; H72-V134 VanDerWaalsContact CE1-CB 3.44Å; H72-V134 WeakPolarHBondContact CE1-CB 3.45Å; H72-V134 WeakPolarHBondContact CE1-CG1 3.34Å; H72-V134 WeakPolarHBondContact ND1-CG1 3.49Å; V76-V134 HydrophobicContact CG2-CG1 3.44Å; V76-V134 VanDerWaalsContact CG2-CG1 3.44Å; V115-V134 HydrophobicContact CG1-CG1 4.13Å; H130-V134 WeakPolarHBondContact O-CG2 3.21Å; H130-V134 PolarHBondContact O-N 2.74Å; H130-V134 VanDerWaalsContact O-N 3.15Å; S132-V134 VanDerWaalsContact C-N 3.26Å; S132-V134 PolarHBondContact O-N 2.82Å; V134-E136 PolarHBondContact O-N 3.4Å; V134-S137 PolarHBondContact O-N 3.16Å; V134-S137 PolarHBondContact O-OG 3.19Å; V134-V138 WeakPolarHBondContact O-CB 3.47Å; V134-V138 WeakPolarHBondContact O-CG1 3.23Å; V134-V138 PolarHBondContact O-N 3.05Å; V134-W182 HydrophobicContact CG2-CH2 3.93Å; V134-W182 HydrophobicContact CG2-CZ2 3.64Å; V134-L186 HydrophobicContact CG2-CD2 3.89Å
135A96.4Very high95Very high1 Ų123.2 Ų23.21%0.00813%0.125CC..Hα-helixtrans-66.2-35.1-179.300000113.2I116 K119 L131 S132 V138I116-A135 HydrophobicContact CG1-CB 4.27Å; K119-A135 HydrophobicContact CB-CB 4.02Å; K119-A135 HydrophobicContact CD-CB 3.66Å; K119-A135 HydrophobicContact CG-CB 4.37Å; L131-A135 WeakPolarHBondContact O-CB 3.35Å; L131-A135 PolarHBondContact O-N 3.26Å; S132-A135 PolarHBondContact O-N 3.14Å; A135-V138 WeakPolarHBondContact O-CG1 3.34Å
136E95.3Very high94.6Very high72 Ų7224.9 Ų24.934%0.33613%0.132SC..Hα-helixtrans-73.9-39.7174.7-60.8-46.3133.700111.3K119 S132 V134 T139 F164K119-E136 IonicContact NZ-OE1 2.75Å; K119-E136 PolarHBondContact NZ-OE1 3.08Å; S132-E136 WeakPolarHBondContact O-CG 3.36Å; S132-E136 PolarHBondContact O-N 3.03Å; V134-E136 PolarHBondContact O-N 3.4Å; E136-T139 PolarHBondContact O-OG1 2.82Å; E136-F164 HydrophobicContact CG-CD2 3.99Å; E136-F164 HydrophobicContact CG-CE2 3.63Å
137S96.3Very high94.1Very high0 Ų021.9 Ų21.90%013%0.127CC..Hα-helixtrans-82.2-25.5-177.757.30000115.3A133 V134 T139 A140 M157 W190A133-S137 WeakPolarHBondContact O-CB 3.31Å; A133-S137 PolarHBondContact O-N 3Å; A133-S137 VanDerWaalsContact O-N 3.14Å; A133-S137 PolarHBondContact O-OG 2.85Å; V134-S137 PolarHBondContact O-N 3.16Å; V134-S137 PolarHBondContact O-OG 3.19Å; S137-T139 PolarHBondContact O-N 3.5Å; S137-T139 VanDerWaalsContact O-N 3.12Å; S137-A140 WeakPolarHBondContact O-CB 3.4Å; S137-A140 PolarHBondContact O-N 3.12Å; S137-M157 WeakPolarHBondContact CA-O 3.49Å; S137-W190 VanDerWaalsContact CB-NE1 3.32Å; S137-W190 PolarHBondContact OG-NE1 3.02Å; S137-W190 VanDerWaalsContact OG-NE1 3.07Å
138V96.8Very high93.7Very high0 Ų026 Ų260%016%0.155CC..G310 helixtrans-61.7-24.5-178.668.90000112.6V76 I112 V115 I116 V134 A135 A140 L141V76-V138 HydrophobicContact CG2-CG2 4.39Å; I112-V138 HydrophobicContact CG1-CG2 4.38Å; I112-V138 HydrophobicContact CG2-CG1 4.15Å; V115-V138 HydrophobicContact CB-CG1 4.3Å; V115-V138 HydrophobicContact CG1-CB 4.19Å; V115-V138 HydrophobicContact CG1-CG1 3.8Å; V115-V138 HydrophobicContact CG1-CG2 4.19Å; V115-V138 HydrophobicContact CG2-CG2 4.48Å; I116-V138 HydrophobicContact CG1-CG1 4.43Å; V134-V138 WeakPolarHBondContact O-CB 3.47Å; V134-V138 WeakPolarHBondContact O-CG1 3.23Å; V134-V138 PolarHBondContact O-N 3.05Å; A135-V138 WeakPolarHBondContact O-CG1 3.34Å; V138-A140 PolarHBondContact O-N 3.36Å; V138-A140 VanDerWaalsContact O-N 3.11Å; V138-L141 HydrophobicContact CG2-CD1 3.95Å; V138-L141 WeakPolarHBondContact O-CB 3.47Å; V138-L141 WeakPolarHBondContact O-CG 3.38Å; V138-L141 PolarHBondContact O-N 3.47Å
139T94.8Very high93.3Very high33 Ų3324.9 Ų24.920%0.20216%0.158CC..G310 helixtrans-60-18.5173.463.70000112.8I112 I116 E136 S137 L141 G142 Y153 M157I112-T139 HydrophobicContact CG2-CG2 4.5Å; I116-T139 HydrophobicContact CD1-CG2 4.27Å; E136-T139 PolarHBondContact O-OG1 2.82Å; S137-T139 PolarHBondContact O-N 3.5Å; S137-T139 VanDerWaalsContact O-N 3.12Å; T139-L141 PolarHBondContact O-N 3.15Å; T139-G142 PolarHBondContact O-N 3.3Å; T139-Y153 WeakPolarHBondContact O-CE1 3.3Å; T139-Y153 PolarHBondContact O-OH 3.36Å; T139-M157 WeakPolarHBondContact OG1-CG 3.46Å; T139-M157 PolarHBondContact OG1-SD 3.26Å; T139-M157 VanDerWaalsContact OG1-SD 3.32Å
140A95.7Very high93.1Very high0 Ų023.9 Ų23.90%015%0.153CC..G310 helixtrans-54-31.8170.300000112.5S137 V138 G142 W143 V154 M157 W190S137-A140 WeakPolarHBondContact O-CB 3.4Å; S137-A140 PolarHBondContact O-N 3.12Å; V138-A140 PolarHBondContact O-N 3.36Å; V138-A140 VanDerWaalsContact O-N 3.11Å; A140-G142 PolarHBondContact O-N 3.07Å; A140-G142 VanDerWaalsContact O-N 3.14Å; A140-W143 WeakPolarHBondContact O-CB 3.33Å; A140-W143 VanDerWaalsContact O-CD1 3.25Å; A140-W143 PolarHBondContact O-N 3.39Å; A140-V154 HydrophobicContact CB-CG1 4.33Å; A140-M157 HydrophobicContact CB-CB 3.76Å; A140-W190 HydrophobicContact CB-CE3 4.04Å; A140-W190 HydrophobicContact CB-CZ3 4.06Å
141L95.6Very high92.9Very high0 Ų024.3 Ų24.30%016%0.156CC..G310 helixtrans-64.2-15.5176.1-62.6175.6000113C79 F80 Q83 I112 V138 T139 W143 W190 L193C79-L141 HydrophobicContact CB-CD1 3.38Å; F80-L141 HydrophobicContact CD1-CD2 4.34Å; F80-L141 HydrophobicContact CD2-CD1 4.18Å; F80-L141 HydrophobicContact CD2-CD2 4.22Å; F80-L141 HydrophobicContact CE1-CD2 3.98Å; F80-L141 HydrophobicContact CE2-CD1 4.17Å; F80-L141 HydrophobicContact CE2-CD2 3.86Å; F80-L141 HydrophobicContact CE2-CG 4.48Å; F80-L141 HydrophobicContact CG-CD2 4.45Å; F80-L141 HydrophobicContact CZ-CD2 3.73Å; Q83-L141 PolarHBondContact NE2-O 3.29Å; I112-L141 HydrophobicContact CD1-CB 4.04Å; V138-L141 HydrophobicContact CG2-CD1 3.95Å; V138-L141 WeakPolarHBondContact O-CB 3.47Å; V138-L141 WeakPolarHBondContact O-CG 3.38Å; V138-L141 PolarHBondContact O-N 3.47Å; T139-L141 PolarHBondContact O-N 3.15Å; L141-W143 PolarHBondContact O-N 2.95Å; L141-W190 HydrophobicContact CD2-CZ3 4.07Å; L141-W190 HydrophobicContact CG-CH2 4.31Å; L141-W190 HydrophobicContact CG-CZ3 4.11Å; L141-L193 HydrophobicContact CD2-CD2 3.91Å
142G93.5Very high92.6Very high21 Ų2128.5 Ų28.522%0.21618%0.181CC..G310 helixtrans-70.2-2.9173.200000115.2T139 A140 L144 S145T139-G142 PolarHBondContact O-N 3.3Å; A140-G142 PolarHBondContact O-N 3.07Å; A140-G142 VanDerWaalsContact O-N 3.14Å; G142-L144 PolarHBondContact O-N 2.88Å; G142-S145 PolarHBondContact O-N 3.03Å; G142-S145 VanDerWaalsContact O-N 3.11Å
143W94.3Very high92.5Very high0 Ų031 Ų310%019%0.19CC..G310 helixtrans-54.4-22.9-178.871.9-98.6000114.2I87 A140 L141 S145 D146 P150 Y153 V154 Y196 V197 H201 L205I87-W143 HydrophobicContact CD1-CZ2 4.41Å; A140-W143 WeakPolarHBondContact O-CB 3.33Å; A140-W143 VanDerWaalsContact O-CD1 3.25Å; A140-W143 PolarHBondContact O-N 3.39Å; L141-W143 PolarHBondContact O-N 2.95Å; W143-S145 PolarHBondContact O-N 2.91Å; W143-S145 VanDerWaalsContact O-N 3.08Å; W143-D146 PolarHBondContact O-N 3.35Å; W143-P150 HydrophobicContact CB-CB 4.05Å; W143-P150 HydrophobicContact CD2-CB 4.47Å; W143-P150 HydrophobicContact CE3-CB 3.78Å; W143-P150 HydrophobicContact CE3-CG 4.45Å; W143-Y153 HydrophobicContact CB-CD1 3.84Å; W143-Y153 HydrophobicContact CB-CE1 4.32Å; W143-V154 HydrophobicContact CB-CG2 3.74Å; W143-V154 HydrophobicContact CG-CG2 3.98Å; W143-Y196 HydrophobicContact CZ2-CE1 4.39Å; W143-V197 HydrophobicContact CD2-CG1 4.16Å; W143-V197 HydrophobicContact CD2-CG2 3.61Å; W143-V197 VanDerWaalsContact CE2-CG2 3.45Å; W143-V197 HydrophobicContact CE3-CG1 3.88Å; W143-V197 HydrophobicContact CE3-CG2 4.03Å; W143-V197 HydrophobicContact CG-CG2 4.07Å; W143-V197 HydrophobicContact CH2-CG2 4.21Å; W143-V197 HydrophobicContact CZ2-CG2 3.77Å; W143-V197 HydrophobicContact CZ3-CG1 4.26Å; W143-V197 HydrophobicContact CZ3-CG2 4.32Å; W143-H201 HydrophobicContact CH2-CB 3.78Å; W143-H201 AromaticContact CH2-CD2 3.34Å; W143-H201 WeakPolarHBondContact CH2-CD2 3.15Å; W143-H201 AromaticContact CH2-CG 3.56Å; W143-H201 HydrophobicContact CZ3-CB 3.53Å; W143-H201 AromaticContact CZ3-CG 3.8Å; W143-L205 HydrophobicContact CH2-CD1 4.08Å; W143-L205 HydrophobicContact CZ3-CB 4.48Å
144L90.5Very high92.4Very high6 Ų631 Ų313%0.03119%0.19CC..G310 helixtrans-55.9-25.2177.6-62.9162.8000113.3Q83 I86 I105 L108 G142 L205Q83-L144 HydrophobicContact CG-CD1 4.24Å; I86-L144 HydrophobicContact CD1-CD1 4.26Å; I86-L144 HydrophobicContact CG2-CD1 4.27Å; I105-L144 HydrophobicContact CD1-CB 4.03Å; L108-L144 HydrophobicContact CD2-CD1 3.49Å; L108-L144 VanDerWaalsContact CD2-CD1 3.49Å; G142-L144 PolarHBondContact O-N 2.88Å; L144-L205 HydrophobicContact CD2-CD1 3.8Å; L144-L205 HydrophobicContact CD2-CD2 3.97Å; L144-L205 HydrophobicContact CD2-CG 4.32Å
145S87.2Confident92.3Very high75 Ų7535.4 Ų35.452%0.52421%0.21SC..G310 helixtrans-102.3-6.8176.9-57.90000113.6I105 G142 W143I105-S145 VanDerWaalsContact CD1-OG 3.28Å; I105-S145 WeakPolarHBondContact CD1-OG 3.14Å; G142-S145 PolarHBondContact O-N 3.03Å; G142-S145 VanDerWaalsContact O-N 3.11Å; W143-S145 PolarHBondContact O-N 2.91Å; W143-S145 VanDerWaalsContact O-N 3.08Å
146D83.3Confident92.2Very high54 Ų5438.9 Ų38.929%0.28923%0.231SC..  trans-94.2116.6-175.7-166.967.3000110.6W143 P150 Y153W143-D146 PolarHBondContact O-N 3.35Å; D146-P150 WeakPolarHBondContact O-CB 3.16Å; D146-Y153 HydrophobicContact CB-CD1 4.35Å; D146-Y153 HydrophobicContact CB-CD2 4.24Å; D146-Y153 HydrophobicContact CB-CG 3.98Å; D146-Y153 WeakPolarHBondContact OD2-CB 3.47Å
147T83.6Confident92.2Very high93 Ų9337.7 Ų37.757%0.57123%0.226SC*.  trans-136.4145.3178.358.10000108.6T203T147-T203 WeakPolarHBondContact CG2-O 3.28Å
148P85.7Confident92.1Very high103 Ų10338.5 Ų38.567%0.66923%0.23SC*.SBendcis-93.93.7937.1-36.7000115.1P150 T203P148-P150 VanDerWaalsContact C-CD 3.42Å; P148-P150 WeakPolarHBondContact O-CD 3.31Å; P148-T203 WeakPolarHBondContact O-CA 3.42Å
149A89Confident92Very high40 Ų4043.2 Ų43.233%0.33125%0.252SS..  trans-125.259.6-169.100000114.3S151 T152 Y153A149-S151 VanDerWaalsContact C-N 3.27Å; A149-S151 PolarHBondContact O-N 3.26Å; A149-T152 WeakPolarHBondContact O-CB 3.26Å; A149-T152 PolarHBondContact O-N 3.47Å; A149-Y153 PolarHBondContact O-N 2.93Å
150P90.9Very high91.9Very high0 Ų043.6 Ų43.60%026%0.258CS..Hα-helixtrans-60-32.3-174.725.1-35.9000113.7W143 D146 P148 T152 Y153 V154 V197 H201 T202W143-P150 HydrophobicContact CB-CB 4.05Å; W143-P150 HydrophobicContact CD2-CB 4.47Å; W143-P150 HydrophobicContact CE3-CB 3.78Å; W143-P150 HydrophobicContact CE3-CG 4.45Å; D146-P150 WeakPolarHBondContact O-CB 3.16Å; P148-P150 VanDerWaalsContact C-CD 3.42Å; P148-P150 WeakPolarHBondContact O-CD 3.31Å; P150-T152 VanDerWaalsContact C-N 3.33Å; P150-T152 PolarHBondContact O-N 2.99Å; P150-Y153 WeakPolarHBondContact O-CB 3.3Å; P150-Y153 PolarHBondContact O-N 3.4Å; P150-V154 WeakPolarHBondContact O-CG2 3.27Å; P150-V154 PolarHBondContact O-N 2.86Å; P150-V197 HydrophobicContact CB-CG1 3.64Å; P150-V197 HydrophobicContact CG-CG1 3.69Å; P150-H201 WeakPolarHBondContact CG-O 3.27Å; P150-T202 WeakPolarHBondContact CD-O 3.36Å
151S92Very high91.8Very high10 Ų1043.6 Ų43.67%0.0726%0.258CS..Hα-helixtrans-65.3-35.2175.6-60.30000113.1A149 K155 V197 N198A149-S151 VanDerWaalsContact C-N 3.27Å; A149-S151 PolarHBondContact O-N 3.26Å; S151-K155 PolarHBondContact O-N 3.42Å; S151-K155 VanDerWaalsContact O-N 3.14Å; S151-V197 WeakPolarHBondContact OG-CG1 3.44Å; S151-N198 WeakPolarHBondContact OG-CA 3.4Å; S151-N198 VanDerWaalsContact OG-CB 3.3Å; S151-N198 WeakPolarHBondContact OG-CB 3.36Å; S151-N198 PolarHBondContact OG-N 3.44Å
152T92.5Very high91.8Very high87 Ų8746.6 Ų46.653%0.53427%0.272SS..Hα-helixtrans-70.6-37.9176.3-56.30000110.4A149 P150 K155 T156A149-T152 WeakPolarHBondContact O-CB 3.26Å; A149-T152 PolarHBondContact O-N 3.47Å; P150-T152 VanDerWaalsContact C-N 3.33Å; P150-T152 PolarHBondContact O-N 2.99Å; T152-K155 PolarHBondContact O-N 2.9Å; T152-T156 PolarHBondContact O-N 3.44Å; T152-T156 PolarHBondContact O-OG1 2.94Å
153Y94.5Very high91.8Very high54 Ų5451.3 Ų51.321%0.21229%0.287CS..Hα-helixtrans-61-48.2173.1173.2-90.9000112.2T139 W143 D146 A149 P150 K155 T156 M157T139-Y153 WeakPolarHBondContact O-CE1 3.3Å; T139-Y153 PolarHBondContact O-OH 3.36Å; W143-Y153 HydrophobicContact CB-CD1 3.84Å; W143-Y153 HydrophobicContact CB-CE1 4.32Å; D146-Y153 HydrophobicContact CB-CD1 4.35Å; D146-Y153 HydrophobicContact CB-CD2 4.24Å; D146-Y153 HydrophobicContact CB-CG 3.98Å; D146-Y153 WeakPolarHBondContact OD2-CB 3.47Å; A149-Y153 PolarHBondContact O-N 2.93Å; P150-Y153 WeakPolarHBondContact O-CB 3.3Å; P150-Y153 PolarHBondContact O-N 3.4Å; Y153-K155 VanDerWaalsContact C-N 3.28Å; Y153-K155 PolarHBondContact O-N 3.46Å; Y153-T156 PolarHBondContact O-N 3.29Å; Y153-T156 VanDerWaalsContact O-N 3.16Å; Y153-M157 HydrophobicContact CD2-CE 4.06Å; Y153-M157 HydrophobicContact CE1-CG 4.09Å; Y153-M157 HydrophobicContact CE2-CE 3.31Å; Y153-M157 HydrophobicContact CE2-CG 4.2Å; Y153-M157 PolarHBondContact O-N 2.83Å
154V95.5Very high91.9Very high0 Ų053 Ų530%030%0.295CS..Hα-helixtrans-55.6-45.4175.3172.80000110.9A140 W143 P150 T156 M157 Q158 L193 Q194 V197A140-V154 HydrophobicContact CB-CG1 4.33Å; W143-V154 HydrophobicContact CB-CG2 3.74Å; W143-V154 HydrophobicContact CG-CG2 3.98Å; P150-V154 WeakPolarHBondContact O-CG2 3.27Å; P150-V154 PolarHBondContact O-N 2.86Å; V154-T156 PolarHBondContact O-N 2.9Å; V154-M157 PolarHBondContact O-N 2.9Å; V154-Q158 WeakPolarHBondContact O-CB 3.36Å; V154-Q158 PolarHBondContact O-N 3Å; V154-L193 HydrophobicContact CG1-CB 4.46Å; V154-L193 HydrophobicContact CG1-CD2 4.11Å; V154-L193 HydrophobicContact CG1-CG 4.23Å; V154-L193 HydrophobicContact CG2-CD2 4.29Å; V154-L193 HydrophobicContact CG2-CG 4.44Å; V154-Q194 HydrophobicContact CG1-CB 3.93Å; V154-Q194 HydrophobicContact CG1-CG 4.48Å; V154-V197 HydrophobicContact CG2-CG2 4.44Å
155K94.8Very high92Very high95 Ų9552.8 Ų52.841%0.41329%0.293SS..Hα-helixtrans-61.2-44178-171.7-178.9175.2-174.40112.6S151 T152 Y153 M157 Q158 E159S151-K155 PolarHBondContact O-N 3.42Å; S151-K155 VanDerWaalsContact O-N 3.14Å; T152-K155 PolarHBondContact O-N 2.9Å; Y153-K155 VanDerWaalsContact C-N 3.28Å; Y153-K155 PolarHBondContact O-N 3.46Å; K155-M157 VanDerWaalsContact C-N 3.33Å; K155-M157 PolarHBondContact O-N 3.4Å; K155-Q158 WeakPolarHBondContact O-CB 3.41Å; K155-Q158 PolarHBondContact O-N 3.01Å; K155-E159 WeakPolarHBondContact CE-OE1 3.3Å; K155-E159 IonicContact NZ-OE1 3.76Å; K155-E159 WeakPolarHBondContact O-CG 3.45Å; K155-E159 PolarHBondContact O-N 2.96Å
156T94.6Very high92.4Very high73 Ų7352.8 Ų52.845%0.44829%0.287SS..Hα-helixtrans-62-42.5-179.9-55.20000111.2T152 Y153 V154 E159 A160T152-T156 PolarHBondContact O-N 3.44Å; T152-T156 PolarHBondContact O-OG1 2.94Å; Y153-T156 PolarHBondContact O-N 3.29Å; Y153-T156 VanDerWaalsContact O-N 3.16Å; V154-T156 PolarHBondContact O-N 2.9Å; T156-E159 PolarHBondContact O-N 3.24Å; T156-A160 PolarHBondContact O-N 3.01Å
157M95.1Very high92.8Very high47 Ų4755.4 Ų55.423%0.23229%0.293CS..Hα-helixtrans-72.1-33.6177.9-62.8-52.1172.800112.6S137 T139 A140 Y153 V154 K155 A160 G161S137-M157 WeakPolarHBondContact CA-O 3.49Å; T139-M157 WeakPolarHBondContact OG1-CG 3.46Å; T139-M157 PolarHBondContact OG1-SD 3.26Å; T139-M157 VanDerWaalsContact OG1-SD 3.32Å; A140-M157 HydrophobicContact CB-CB 3.76Å; Y153-M157 HydrophobicContact CD2-CE 4.06Å; Y153-M157 HydrophobicContact CE1-CG 4.09Å; Y153-M157 HydrophobicContact CE2-CE 3.31Å; Y153-M157 HydrophobicContact CE2-CG 4.2Å; Y153-M157 PolarHBondContact O-N 2.83Å; V154-M157 PolarHBondContact O-N 2.9Å; K155-M157 VanDerWaalsContact C-N 3.33Å; K155-M157 PolarHBondContact O-N 3.4Å; M157-A160 PolarHBondContact O-N 3.08Å; M157-G161 PolarHBondContact O-N 3.49Å; M157-G161 VanDerWaalsContact O-N 3.11Å
158Q94.7Very high93.3Very high18 Ų1851 Ų518%0.08427%0.266CS..Hα-helixtrans-60.1-46170.3174.8-178.8-17.600111.6V154 K155 A160 G161 E162 M187 W190 T191V154-Q158 WeakPolarHBondContact O-CB 3.36Å; V154-Q158 PolarHBondContact O-N 3Å; K155-Q158 WeakPolarHBondContact O-CB 3.41Å; K155-Q158 PolarHBondContact O-N 3.01Å; Q158-A160 VanDerWaalsContact C-N 3.33Å; Q158-A160 PolarHBondContact O-N 3.21Å; Q158-G161 PolarHBondContact O-N 3.37Å; Q158-E162 PolarHBondContact O-N 3.27Å; Q158-M187 HydrophobicContact CG-SD 3.65Å; Q158-M187 PolarHBondContact NE2-SD 2.93Å; Q158-W190 HydrophobicContact CB-CB 3.95Å; Q158-W190 HydrophobicContact CB-CG 4.35Å; Q158-W190 HydrophobicContact CG-CB 3.7Å; Q158-W190 HydrophobicContact CG-CG 4.27Å; Q158-T191 PolarHBondContact NE2-OG1 3.26Å
159E93.7Very high93.5Very high98 Ų9848.5 Ų48.546%0.45825%0.247SC..Hα-helixtrans-63.9-36.8177.1-72172.9179.100112K155 T156 G161 E162 F163K155-E159 WeakPolarHBondContact CE-OE1 3.3Å; K155-E159 IonicContact NZ-OE1 3.76Å; K155-E159 WeakPolarHBondContact O-CG 3.45Å; K155-E159 PolarHBondContact O-N 2.96Å; T156-E159 PolarHBondContact O-N 3.24Å; E159-G161 PolarHBondContact O-N 3.34Å; E159-E162 WeakPolarHBondContact O-CB 3.44Å; E159-E162 PolarHBondContact O-N 2.78Å; E159-E162 VanDerWaalsContact O-N 3.15Å; E159-F163 PolarHBondContact O-N 3.29Å
160A93.4Very high93.5Very high41 Ų4152.9 Ų52.934%0.33926%0.262SS..Hα-helixtrans-61.5-43173.600000112.1T156 M157 Q158 E162T156-A160 PolarHBondContact O-N 3.01Å; M157-A160 PolarHBondContact O-N 3.08Å; Q158-A160 VanDerWaalsContact C-N 3.33Å; Q158-A160 PolarHBondContact O-N 3.21Å; A160-E162 VanDerWaalsContact C-N 3.33Å
161G94.5Very high93.3Very high0 Ų057.7 Ų57.70%029%0.285CS..Hα-helixtrans-66.8-33.7172.300000113.1A133 M157 Q158 E159 F163 F164 M165A133-G161 WeakPolarHBondContact O-CA 3.12Å; M157-G161 PolarHBondContact O-N 3.49Å; M157-G161 VanDerWaalsContact O-N 3.11Å; Q158-G161 PolarHBondContact O-N 3.37Å; E159-G161 PolarHBondContact O-N 3.34Å; G161-F163 PolarHBondContact O-N 2.85Å; G161-F164 PolarHBondContact O-N 2.96Å; G161-F164 VanDerWaalsContact O-N 3.12Å; G161-M165 WeakPolarHBondContact O-CG 3.38Å; G161-M165 PolarHBondContact O-N 3.23Å
162E94Very high93Very high63 Ų6359.8 Ų59.829%0.29429%0.291SS..Hα-helixtrans-61.5-32.9-179.2-169.8171.3-168.500112.9Q158 E159 A160 F164 M165 N166 K183 M187Q158-E162 PolarHBondContact O-N 3.27Å; E159-E162 WeakPolarHBondContact O-CB 3.44Å; E159-E162 PolarHBondContact O-N 2.78Å; E159-E162 VanDerWaalsContact O-N 3.15Å; A160-E162 VanDerWaalsContact C-N 3.33Å; E162-F164 VanDerWaalsContact C-N 3.27Å; E162-F164 PolarHBondContact O-N 2.65Å; E162-M165 HydrophobicContact CB-CE 4.1Å; E162-M165 PolarHBondContact O-N 3.41Å; E162-M165 VanDerWaalsContact O-N 3.13Å; E162-N166 PolarHBondContact O-N 2.87Å; E162-N166 PolarHBondContact O-ND2 3.39Å; E162-K183 IonicContact OE1-NZ 3.69Å; E162-M187 HydrophobicContact CB-CE 3.93Å; E162-M187 VanDerWaalsContact CD-CE 3.48Å; E162-M187 HydrophobicContact CG-CE 3.64Å
163F94Very high92.2Very high121 Ų12162.7 Ų62.753%0.53130%0.296SS..Hα-helixtrans-50.4-48.6172.7174.8-101.2000111.8E159 G161 R167E159-F163 PolarHBondContact O-N 3.29Å; G161-F163 PolarHBondContact O-N 2.85Å; F163-R167 WeakPolarHBondContact O-CG 3.35Å; F163-R167 PolarHBondContact O-N 3.28Å
164F95.6Very high90.9Very high36 Ų3665.6 Ų65.616%0.15832%0.316CS..Hα-helixtrans-76.4-34.4178.1-69-82.5000112.5A133 E136 G161 E162 N166 R167 I168A133-F164 HydrophobicContact CB-CB 3.68Å; E136-F164 HydrophobicContact CG-CD2 3.99Å; E136-F164 HydrophobicContact CG-CE2 3.63Å; G161-F164 PolarHBondContact O-N 2.96Å; G161-F164 VanDerWaalsContact O-N 3.12Å; E162-F164 VanDerWaalsContact C-N 3.27Å; E162-F164 PolarHBondContact O-N 2.65Å; F164-N166 PolarHBondContact O-N 3.46Å; F164-R167 WeakPolarHBondContact O-CB 3.42Å; F164-R167 PolarHBondContact O-N 3.31Å; F164-I168 WeakPolarHBondContact O-CG1 3.34Å; F164-I168 PolarHBondContact O-N 3.03Å; F164-I168 VanDerWaalsContact O-N 3.08Å
165M94.5Very high89.4Confident0 Ų073.2 Ų73.20%036%0.356CS..Hα-helixtrans-58-37.5173.1-64.8-172.5-109.200112.2A133 G161 E162 R167 I168 L169 W182 K183 L186 M187A133-M165 HydrophobicContact CB-CG 3.79Å; G161-M165 WeakPolarHBondContact O-CG 3.38Å; G161-M165 PolarHBondContact O-N 3.23Å; E162-M165 HydrophobicContact CB-CE 4.1Å; E162-M165 PolarHBondContact O-N 3.41Å; E162-M165 VanDerWaalsContact O-N 3.13Å; M165-R167 VanDerWaalsContact C-N 3.35Å; M165-I168 WeakPolarHBondContact O-CB 3.35Å; M165-I168 PolarHBondContact O-N 3.24Å; M165-L169 PolarHBondContact O-N 3.28Å; M165-W182 HydrophobicContact CG-CZ3 4.39Å; M165-K183 HydrophobicContact CB-CD 3.99Å; M165-K183 HydrophobicContact CB-CG 3.96Å; M165-K183 HydrophobicContact CG-CG 4.39Å; M165-K183 HydrophobicContact SD-CG 3.96Å; M165-L186 HydrophobicContact CE-CD2 4.33Å; M165-L186 HydrophobicContact CG-CD2 4.39Å; M165-L186 HydrophobicContact SD-CB 4.43Å; M165-L186 HydrophobicContact SD-CD2 3.93Å; M165-L186 HydrophobicContact SD-CG 4.25Å; M165-M187 HydrophobicContact CE-CE 3.59Å; M165-M187 HydrophobicContact CE-SD 4.33Å; M165-M187 HydrophobicContact SD-CE 3.91Å
166N93.6Very high88.6Confident75 Ų7572.2 Ų72.240%0.40136%0.356SS..Hα-helixtrans-68.6-32.7176.1-71.1-25.5000112.6E162 F164 L169 M170 K183E162-N166 PolarHBondContact O-N 2.87Å; E162-N166 PolarHBondContact O-ND2 3.39Å; F164-N166 PolarHBondContact O-N 3.46Å; N166-L169 PolarHBondContact O-N 3.19Å; N166-M170 PolarHBondContact O-N 2.94Å; N166-M170 VanDerWaalsContact O-N 3.16Å; N166-K183 PolarHBondContact OD1-NZ 2.98Å
167R93.3Very high88.3Confident109 Ų10973.3 Ų73.341%0.41136%0.363SS..Hα-helixtrans-66.1-41.7173.5-60.9178.198.2175.16.4111.4F163 F164 M165 L169 M170 E171F163-R167 WeakPolarHBondContact O-CG 3.35Å; F163-R167 PolarHBondContact O-N 3.28Å; F164-R167 WeakPolarHBondContact O-CB 3.42Å; F164-R167 PolarHBondContact O-N 3.31Å; M165-R167 VanDerWaalsContact C-N 3.35Å; R167-L169 VanDerWaalsContact C-N 3.31Å; R167-L169 PolarHBondContact O-N 3.31Å; R167-M170 WeakPolarHBondContact O-CB 3.43Å; R167-M170 PolarHBondContact O-N 3.33Å; R167-M170 VanDerWaalsContact O-N 3.08Å; R167-E171 WeakPolarHBondContact O-CG 3.47Å; R167-E171 PolarHBondContact O-N 2.88Å
168I92.7Very high88.2Confident0 Ų072.4 Ų72.40%036%0.36CS..Hα-helixtrans-58-44.3175-62.5163.9000110.7N129 H130 A133 F164 M165 M170 E171 Y172 H179 W182N129-I168 HydrophobicContact CB-CD1 4.35Å; N129-I168 HydrophobicContact CB-CG1 3.65Å; H130-I168 HydrophobicContact CB-CD1 4.17Å; H130-I168 VanDerWaalsContact NE2-CG2 3.31Å; H130-I168 WeakPolarHBondContact NE2-CG2 3.44Å; A133-I168 HydrophobicContact CB-CD1 4.45Å; F164-I168 WeakPolarHBondContact O-CG1 3.34Å; F164-I168 PolarHBondContact O-N 3.03Å; F164-I168 VanDerWaalsContact O-N 3.08Å; M165-I168 WeakPolarHBondContact O-CB 3.35Å; M165-I168 PolarHBondContact O-N 3.24Å; I168-M170 VanDerWaalsContact C-N 3.28Å; I168-M170 PolarHBondContact O-N 3.39Å; I168-E171 PolarHBondContact O-N 3.35Å; I168-Y172 HydrophobicContact CG2-CD2 4.09Å; I168-Y172 WeakPolarHBondContact O-CD2 3.38Å; I168-Y172 PolarHBondContact O-N 3.33Å; I168-H179 HydrophobicContact CG2-CB 4.07Å; I168-W182 HydrophobicContact CD1-CE3 4.22Å; I168-W182 HydrophobicContact CD1-CH2 4.07Å; I168-W182 HydrophobicContact CD1-CZ3 3.46Å; I168-W182 VanDerWaalsContact CD1-CZ3 3.46Å
169L90.4Very high88.1Confident52 Ų5272 Ų7227%0.27236%0.358SS..Hα-helixtrans-62.5-35.4176.6-70-174000113M165 N166 R167 Y172 K173 R180 K183M165-L169 PolarHBondContact O-N 3.28Å; N166-L169 PolarHBondContact O-N 3.19Å; R167-L169 VanDerWaalsContact C-N 3.31Å; R167-L169 PolarHBondContact O-N 3.31Å; L169-Y172 CarbonylContact O-C 3.5Å; L169-K173 WeakPolarHBondContact O-CA 3.31Å; L169-K173 PolarHBondContact O-N 3.14Å; L169-R180 HydrophobicContact CD2-CB 4.41Å; L169-R180 HydrophobicContact CD2-CG 3.43Å; L169-R180 VanDerWaalsContact CD2-CG 3.43Å; L169-K183 HydrophobicContact CD1-CD 3.51Å; L169-K183 HydrophobicContact CD2-CD 4.1Å; L169-K183 HydrophobicContact CG-CD 3.74Å
170M88.9Confident88.1Confident131 Ų13171.2 Ų71.265%0.64535%0.351SS*.Hα-helixtrans-71.9-34.7178.1-171172.466.100112.1N166 R167 I168 K173N166-M170 PolarHBondContact O-N 2.94Å; N166-M170 VanDerWaalsContact O-N 3.16Å; R167-M170 WeakPolarHBondContact O-CB 3.43Å; R167-M170 PolarHBondContact O-N 3.33Å; R167-M170 VanDerWaalsContact O-N 3.08Å; I168-M170 VanDerWaalsContact C-N 3.28Å; I168-M170 PolarHBondContact O-N 3.39Å; M170-K173 WeakPolarHBondContact O-CG 3.38Å
171E87.7Confident88.1Confident102 Ų10271 Ų7148%0.47735%0.349SS..Hα-helixtrans-72.9-42.3176.4-72.517417600111.9N129 R167 I168N129-E171 PolarHBondContact ND2-OE1 3.11Å; N129-E171 PolarHBondContact ND2-OE2 3.24Å; R167-E171 WeakPolarHBondContact O-CG 3.47Å; R167-E171 PolarHBondContact O-N 2.88Å; I168-E171 PolarHBondContact O-N 3.35Å
172Y85.2Confident88.2Confident53 Ų5371 Ų7121%0.20835%0.349CS..THydrogen-bonded Turntrans-111.355-175.6-63-85.6000111.4H130 I168 L169 D176 H179H130-Y172 AromaticContact CE1-CE2 3.95Å; I168-Y172 HydrophobicContact CG2-CD2 4.09Å; I168-Y172 WeakPolarHBondContact O-CD2 3.38Å; I168-Y172 PolarHBondContact O-N 3.33Å; L169-Y172 CarbonylContact O-C 3.5Å; Y172-D176 HydrophobicContact CD1-CB 4.46Å; Y172-H179 AromaticContact CD1-CD2 3.21Å; Y172-H179 WeakPolarHBondContact CD1-CD2 3.29Å; Y172-H179 AromaticContact CD1-NE2 3.31Å; Y172-H179 VanDerWaalsContact CD1-NE2 3.31Å; Y172-H179 WeakPolarHBondContact CD1-NE2 3.27Å; Y172-H179 AromaticContact CD2-CD2 3.83Å; Y172-H179 AromaticContact CE1-CD2 3.79Å; Y172-H179 AromaticContact CE1-NE2 3.34Å; Y172-H179 VanDerWaalsContact CE1-NE2 3.34Å; Y172-H179 WeakPolarHBondContact CE1-NE2 3.37Å; Y172-H179 HydrophobicContact CG-CB 4.44Å; Y172-H179 AromaticContact CG-CD2 3.22Å; Y172-H179 AromaticContact CG-CG 3.89Å; Y172-H179 AromaticContact CG-NE2 3.67Å; Y172-H179 AromaticContact CZ-NE2 3.74Å
173K75.1Confident88.2Confident148 Ų14869.6 Ų69.664%0.64334%0.342SS*.  trans-41.8-78.5-172-67.1-176.4179.6178.50113.7L169 M170 R180L169-K173 WeakPolarHBondContact O-CA 3.31Å; L169-K173 PolarHBondContact O-N 3.14Å; M170-K173 WeakPolarHBondContact O-CG 3.38Å; K173-R180 VanDerWaalsContact O-CZ 3.27Å; K173-R180 PolarHBondContact O-NH1 2.83Å
174D67.9Low88.3Confident116 Ų11671.4 Ų71.462%0.6235%0.349SS*.SBendtrans-123.2-21.7-170.1-72.9-45.1000115.3R180D174-R180 PolarHBondContact O-NH2 3.48Å; D174-R180 IonicContact OD1-CZ 2.87Å; D174-R180 IonicContact OD1-NH1 3.9Å; D174-R180 PolarHBondContact OD1-NH1 3.45Å; D174-R180 IonicContact OD1-NH2 3.03Å
175N64.1Low88.3Confident159 Ų15969.7 Ų69.785%0.8534%0.342SS*.SBendtrans-76.9-25.5-170.8-65.7-15.9000113.8
176D78.4Confident88.4Confident74 Ų7469.7 Ų69.740%0.39634%0.342SS..  trans-122.790.5-175.8-78.1-42000111.3Y172 V178 H179Y172-D176 HydrophobicContact CD1-CB 4.46Å; D176-V178 PolarHBondContact O-N 3.15Å; D176-H179 VanDerWaalsContact CB-CD2 3.49Å; D176-H179 WeakPolarHBondContact CB-CD2 2.92Å; D176-H179 PolarHBondContact O-N 2.65Å
177T88.2Confident88.5Confident97 Ų9767.6 Ų67.660%0.59533%0.33SS*.Hα-helixtrans-58.2-26175.350.30000112.9H179 R180 A181T177-H179 VanDerWaalsContact C-N 3.32Å; T177-H179 PolarHBondContact O-N 3.36Å; T177-R180 WeakPolarHBondContact O-CB 3.3Å; T177-R180 PolarHBondContact O-N 3.46Å; T177-R180 VanDerWaalsContact O-N 3.16Å; T177-A181 PolarHBondContact O-N 3.05Å
178V92.2Very high88.6Confident28 Ų2864.8 Ų64.817%0.1733%0.327CS..Hα-helixtrans-57.8-41.6178.3-173.80000111.6E64 I65 D176 R180 A181 W182E64-V178 HydrophobicContact CB-CG1 3.93Å; E64-V178 HydrophobicContact CG-CG1 3.79Å; E64-V178 HydrophobicContact CG-CG2 4.22Å; I65-V178 HydrophobicContact CG1-CG1 3.66Å; D176-V178 PolarHBondContact O-N 3.15Å; V178-R180 VanDerWaalsContact C-N 3.34Å; V178-R180 PolarHBondContact O-N 2.92Å; V178-A181 PolarHBondContact O-N 3.19Å; V178-W182 WeakPolarHBondContact O-CB 3.48Å; V178-W182 PolarHBondContact O-N 2.85Å
179H93.5Very high88.9Confident10 Ų1064.8 Ų64.85%0.04633%0.327CS..Hα-helixtrans-69.2-31.8179.7-66.5-56.5000113.1I65 H130 I168 Y172 D176 T177 K183I65-H179 WeakPolarHBondContact CD1-ND1 3.32Å; H130-H179 AromaticContact CE1-CE1 3.87Å; H130-H179 AromaticContact CE1-ND1 3.75Å; H130-H179 AromaticContact NE2-CE1 3.54Å; H130-H179 AromaticContact NE2-CG 3.96Å; H130-H179 AromaticContact NE2-ND1 3.03Å; H130-H179 PolarHBondContact NE2-ND1 3.26Å; I168-H179 HydrophobicContact CG2-CB 4.07Å; Y172-H179 AromaticContact CD1-CD2 3.21Å; Y172-H179 WeakPolarHBondContact CD1-CD2 3.29Å; Y172-H179 AromaticContact CD1-NE2 3.31Å; Y172-H179 VanDerWaalsContact CD1-NE2 3.31Å; Y172-H179 WeakPolarHBondContact CD1-NE2 3.27Å; Y172-H179 AromaticContact CD2-CD2 3.83Å; Y172-H179 AromaticContact CE1-CD2 3.79Å; Y172-H179 AromaticContact CE1-NE2 3.34Å; Y172-H179 VanDerWaalsContact CE1-NE2 3.34Å; Y172-H179 WeakPolarHBondContact CE1-NE2 3.37Å; Y172-H179 HydrophobicContact CG-CB 4.44Å; Y172-H179 AromaticContact CG-CD2 3.22Å; Y172-H179 AromaticContact CG-CG 3.89Å; Y172-H179 AromaticContact CG-NE2 3.67Å; Y172-H179 AromaticContact CZ-NE2 3.74Å; D176-H179 VanDerWaalsContact CB-CD2 3.49Å; D176-H179 WeakPolarHBondContact CB-CD2 2.92Å; D176-H179 PolarHBondContact O-N 2.65Å; T177-H179 VanDerWaalsContact C-N 3.32Å; T177-H179 PolarHBondContact O-N 3.36Å; H179-K183 PolarHBondContact O-N 3.25Å
180R92.1Very high89.2Confident81 Ų8162.3 Ų62.331%0.30631%0.314SS..Hα-helixtrans-69.7-44.2172.4-80.7179-72.7-145.67111.6L169 K173 D174 T177 V178 W182 K183 K184L169-R180 HydrophobicContact CD2-CB 4.41Å; L169-R180 HydrophobicContact CD2-CG 3.43Å; L169-R180 VanDerWaalsContact CD2-CG 3.43Å; K173-R180 VanDerWaalsContact O-CZ 3.27Å; K173-R180 PolarHBondContact O-NH1 2.83Å; D174-R180 PolarHBondContact O-NH2 3.48Å; D174-R180 IonicContact OD1-CZ 2.87Å; D174-R180 IonicContact OD1-NH1 3.9Å; D174-R180 PolarHBondContact OD1-NH1 3.45Å; D174-R180 IonicContact OD1-NH2 3.03Å; T177-R180 WeakPolarHBondContact O-CB 3.3Å; T177-R180 PolarHBondContact O-N 3.46Å; T177-R180 VanDerWaalsContact O-N 3.16Å; V178-R180 VanDerWaalsContact C-N 3.34Å; V178-R180 PolarHBondContact O-N 2.92Å; R180-W182 VanDerWaalsContact C-N 3.31Å; R180-W182 PolarHBondContact O-N 3.27Å; R180-K183 PolarHBondContact O-N 2.93Å; R180-K184 WeakPolarHBondContact O-CB 3.49Å; R180-K184 PolarHBondContact O-N 2.9Å
181A93.6Very high89.5Confident36 Ų3658.9 Ų58.930%0.29830%0.3SS..Hα-helixtrans-60.9-41.9174.300000111.3N61 T177 V178 K184 S185N61-A181 PolarHBondContact ND2-O 3.28Å; T177-A181 PolarHBondContact O-N 3.05Å; V178-A181 PolarHBondContact O-N 3.19Å; A181-K184 PolarHBondContact O-N 3.48Å; A181-S185 WeakPolarHBondContact O-CB 3.46Å; A181-S185 PolarHBondContact O-N 3.08Å; A181-S185 PolarHBondContact O-OG 3.35Å
182W96.5Very high89.9Confident0 Ų055.3 Ų55.30%029%0.289CS..Hα-helixtrans-60.2-48.4174-177.787.5000112.8Y58 N61 S62 I65 V69 H130 A133 V134 M165 I168 V178 R180 K184 S185 L186Y58-W182 AromaticContact CD2-NE1 3.85Å; Y58-W182 AromaticContact CE2-CE2 3.61Å; Y58-W182 AromaticContact CE2-CZ2 3.81Å; Y58-W182 HydrophobicContact CE2-CZ2 3.81Å; Y58-W182 AromaticContact CE2-NE1 3.27Å; Y58-W182 VanDerWaalsContact CE2-NE1 3.27Å; N61-W182 HydrophobicContact CB-CB 4.18Å; S62-W182 VanDerWaalsContact OG-CD1 3.3Å; S62-W182 PolarHBondContact OG-NE1 3.28Å; I65-W182 HydrophobicContact CD1-CB 3.5Å; I65-W182 VanDerWaalsContact CD1-CB 3.5Å; I65-W182 HydrophobicContact CD1-CD2 4.08Å; I65-W182 HydrophobicContact CD1-CG 3.4Å; I65-W182 VanDerWaalsContact CD1-CG 3.4Å; V69-W182 HydrophobicContact CG1-CZ2 4.41Å; H130-W182 HydrophobicContact CB-CH2 3.98Å; H130-W182 HydrophobicContact CB-CZ2 4.07Å; H130-W182 AromaticContact CD2-CD2 3.98Å; H130-W182 AromaticContact CD2-CE3 3.83Å; H130-W182 AromaticContact CD2-CZ3 3.93Å; A133-W182 HydrophobicContact CB-CH2 4.1Å; A133-W182 HydrophobicContact CB-CZ3 4.5Å; V134-W182 HydrophobicContact CG2-CH2 3.93Å; V134-W182 HydrophobicContact CG2-CZ2 3.64Å; M165-W182 HydrophobicContact CG-CZ3 4.39Å; I168-W182 HydrophobicContact CD1-CE3 4.22Å; I168-W182 HydrophobicContact CD1-CH2 4.07Å; I168-W182 HydrophobicContact CD1-CZ3 3.46Å; I168-W182 VanDerWaalsContact CD1-CZ3 3.46Å; V178-W182 WeakPolarHBondContact O-CB 3.48Å; V178-W182 PolarHBondContact O-N 2.85Å; R180-W182 VanDerWaalsContact C-N 3.31Å; R180-W182 PolarHBondContact O-N 3.27Å; W182-K184 VanDerWaalsContact C-N 3.34Å; W182-K184 PolarHBondContact O-N 3.16Å; W182-S185 WeakPolarHBondContact CA-OG 3.1Å; W182-S185 PolarHBondContact O-N 3.2Å; W182-S185 PolarHBondContact O-OG 3.34Å; W182-L186 HydrophobicContact CH2-CD2 3.58Å; W182-L186 HydrophobicContact CZ2-CD2 3.98Å; W182-L186 HydrophobicContact CZ3-CD2 4.04Å; W182-L186 WeakPolarHBondContact O-CB 3.44Å; W182-L186 PolarHBondContact O-N 2.96Å
183K95.2Very high90.4Very high34 Ų3452.8 Ų52.815%0.14828%0.279CS..Hα-helixtrans-57.2-48.8174.4172.9-179177.2-177.90110.9E162 M165 N166 L169 H179 R180 S185 L186 M187E162-K183 IonicContact OE1-NZ 3.69Å; M165-K183 HydrophobicContact CB-CD 3.99Å; M165-K183 HydrophobicContact CB-CG 3.96Å; M165-K183 HydrophobicContact CG-CG 4.39Å; M165-K183 HydrophobicContact SD-CG 3.96Å; N166-K183 PolarHBondContact OD1-NZ 2.98Å; L169-K183 HydrophobicContact CD1-CD 3.51Å; L169-K183 HydrophobicContact CD2-CD 4.1Å; L169-K183 HydrophobicContact CG-CD 3.74Å; H179-K183 PolarHBondContact O-N 3.25Å; R180-K183 PolarHBondContact O-N 2.93Å; K183-S185 VanDerWaalsContact C-N 3.34Å; K183-S185 PolarHBondContact O-N 3.44Å; K183-L186 PolarHBondContact O-N 3.37Å; K183-M187 WeakPolarHBondContact O-CB 3.36Å; K183-M187 PolarHBondContact O-N 3.07Å
184K94.8Very high91.4Very high158 Ų15848.2 Ų48.269%0.68726%0.26SS*.Hα-helixtrans-60.7-44.2-177.8-174.8-178.3177.1-175.60111.3R180 A181 W182 M187 S188R180-K184 WeakPolarHBondContact O-CB 3.49Å; R180-K184 PolarHBondContact O-N 2.9Å; A181-K184 PolarHBondContact O-N 3.48Å; W182-K184 VanDerWaalsContact C-N 3.34Å; W182-K184 PolarHBondContact O-N 3.16Å; K184-M187 PolarHBondContact O-N 3.07Å; K184-S188 WeakPolarHBondContact O-CB 3.36Å; K184-S188 PolarHBondContact O-N 2.9Å
185S96.4Very high92.6Very high0 Ų047 Ų470%026%0.256CS..Hα-helixtrans-67-43178.253.90000112.6N61 A181 W182 K183 M187 S188 V189N61-S185 WeakPolarHBondContact ND2-CB 3.1Å; N61-S185 PolarHBondContact ND2-OG 2.91Å; A181-S185 WeakPolarHBondContact O-CB 3.46Å; A181-S185 PolarHBondContact O-N 3.08Å; A181-S185 PolarHBondContact O-OG 3.35Å; W182-S185 WeakPolarHBondContact CA-OG 3.1Å; W182-S185 PolarHBondContact O-N 3.2Å; W182-S185 PolarHBondContact O-OG 3.34Å; K183-S185 VanDerWaalsContact C-N 3.34Å; K183-S185 PolarHBondContact O-N 3.44Å; S185-M187 PolarHBondContact O-N 2.68Å; S185-S188 WeakPolarHBondContact O-CB 3.21Å; S185-S188 PolarHBondContact O-N 3.25Å; S185-V189 WeakPolarHBondContact O-CG2 3.36Å; S185-V189 PolarHBondContact O-N 3.14Å
186L97.3Very high94Very high1 Ų139.8 Ų39.81%0.00522%0.217CC..Hα-helixtrans-61.5-42.9173.7-177.758.2000112Y58 V134 M165 W182 K183 S188 V189 W190Y58-L186 HydrophobicContact CD2-CB 3.79Å; Y58-L186 HydrophobicContact CD2-CD1 4.03Å; Y58-L186 HydrophobicContact CD2-CG 4.44Å; Y58-L186 HydrophobicContact CE2-CB 3.96Å; Y58-L186 HydrophobicContact CE2-CD1 3.74Å; Y58-L186 HydrophobicContact CE2-CD2 4.35Å; Y58-L186 HydrophobicContact CE2-CG 4.22Å; V134-L186 HydrophobicContact CG2-CD2 3.89Å; M165-L186 HydrophobicContact CE-CD2 4.33Å; M165-L186 HydrophobicContact CG-CD2 4.39Å; M165-L186 HydrophobicContact SD-CB 4.43Å; M165-L186 HydrophobicContact SD-CD2 3.93Å; M165-L186 HydrophobicContact SD-CG 4.25Å; W182-L186 HydrophobicContact CH2-CD2 3.58Å; W182-L186 HydrophobicContact CZ2-CD2 3.98Å; W182-L186 HydrophobicContact CZ3-CD2 4.04Å; W182-L186 WeakPolarHBondContact O-CB 3.44Å; W182-L186 PolarHBondContact O-N 2.96Å; K183-L186 PolarHBondContact O-N 3.37Å; L186-S188 VanDerWaalsContact C-N 3.3Å; L186-S188 PolarHBondContact O-N 3.05Å; L186-V189 WeakPolarHBondContact O-CB 3.44Å; L186-V189 PolarHBondContact O-N 2.95Å; L186-W190 HydrophobicContact CD1-CZ2 4.18Å; L186-W190 VanDerWaalsContact O-CD1 3.26Å; L186-W190 PolarHBondContact O-N 3.48Å
187M95.2Very high94.8Very high31 Ų3136.2 Ų36.215%0.15320%0.198CC..Hα-helixtrans-63.6-37.7176-165.763.276.200112Q158 E162 M165 K183 K184 S185 W190 T191Q158-M187 HydrophobicContact CG-SD 3.65Å; Q158-M187 PolarHBondContact NE2-SD 2.93Å; E162-M187 HydrophobicContact CB-CE 3.93Å; E162-M187 VanDerWaalsContact CD-CE 3.48Å; E162-M187 HydrophobicContact CG-CE 3.64Å; M165-M187 HydrophobicContact CE-CE 3.59Å; M165-M187 HydrophobicContact CE-SD 4.33Å; M165-M187 HydrophobicContact SD-CE 3.91Å; K183-M187 WeakPolarHBondContact O-CB 3.36Å; K183-M187 PolarHBondContact O-N 3.07Å; K184-M187 PolarHBondContact O-N 3.07Å; S185-M187 PolarHBondContact O-N 2.68Å; M187-W190 PolarHBondContact O-N 3.28Å; M187-T191 WeakPolarHBondContact O-CB 3.39Å; M187-T191 PolarHBondContact O-N 3.44Å; M187-T191 PolarHBondContact O-OG1 3.23Å
188S95.9Very high94.9Very high49 Ų4936.1 Ų36.134%0.34319%0.194SC..Hα-helixtrans-62-42.2175.5-170.40000111.7K184 S185 L186 W190 T191 A192K184-S188 WeakPolarHBondContact O-CB 3.36Å; K184-S188 PolarHBondContact O-N 2.9Å; S185-S188 WeakPolarHBondContact O-CB 3.21Å; S185-S188 PolarHBondContact O-N 3.25Å; L186-S188 VanDerWaalsContact C-N 3.3Å; L186-S188 PolarHBondContact O-N 3.05Å; S188-W190 PolarHBondContact O-N 2.76Å; S188-T191 PolarHBondContact O-N 3.2Å; S188-A192 VanDerWaalsContact O-CB 3.23Å; S188-A192 WeakPolarHBondContact O-CB 3.14Å; S188-A192 PolarHBondContact O-N 3.01Å
189V97.6Very high94.9Very high1 Ų140.7 Ų40.71%0.00621%0.211CC..Hα-helixtrans-56.8-51.4175.1172.20000111.3P54 L55 F80 S185 L186 A192 L193P54-V189 VanDerWaalsContact C-CG2 3.43Å; P54-V189 HydrophobicContact CB-CG2 3.89Å; P54-V189 WeakPolarHBondContact O-CG2 3.44Å; L55-V189 HydrophobicContact CB-CG2 4.29Å; F80-V189 HydrophobicContact CE1-CG1 4.18Å; F80-V189 HydrophobicContact CE2-CG1 3.85Å; F80-V189 HydrophobicContact CZ-CG1 3.35Å; S185-V189 WeakPolarHBondContact O-CG2 3.36Å; S185-V189 PolarHBondContact O-N 3.14Å; L186-V189 WeakPolarHBondContact O-CB 3.44Å; L186-V189 PolarHBondContact O-N 2.95Å; V189-A192 PolarHBondContact O-N 3.47Å; V189-L193 PolarHBondContact O-N 3.42Å
190W97.3Very high94.8Very high0 Ų041.4 Ų41.40%022%0.215CC..Hα-helixtrans-69.5-38.9-177.5-59.8133000113.2F80 S137 A140 L141 Q158 L186 M187 S188 L193 Q194F80-W190 HydrophobicContact CE2-CH2 4.08Å; F80-W190 AromaticContact CE2-CZ3 3.98Å; F80-W190 HydrophobicContact CE2-CZ3 3.98Å; F80-W190 HydrophobicContact CZ-CE3 4.4Å; F80-W190 HydrophobicContact CZ-CH2 4.32Å; F80-W190 AromaticContact CZ-CZ3 3.77Å; F80-W190 HydrophobicContact CZ-CZ3 3.77Å; S137-W190 VanDerWaalsContact CB-NE1 3.32Å; S137-W190 PolarHBondContact OG-NE1 3.02Å; S137-W190 VanDerWaalsContact OG-NE1 3.07Å; A140-W190 HydrophobicContact CB-CE3 4.04Å; A140-W190 HydrophobicContact CB-CZ3 4.06Å; L141-W190 HydrophobicContact CD2-CZ3 4.07Å; L141-W190 HydrophobicContact CG-CH2 4.31Å; L141-W190 HydrophobicContact CG-CZ3 4.11Å; Q158-W190 HydrophobicContact CB-CB 3.95Å; Q158-W190 HydrophobicContact CB-CG 4.35Å; Q158-W190 HydrophobicContact CG-CB 3.7Å; Q158-W190 HydrophobicContact CG-CG 4.27Å; L186-W190 HydrophobicContact CD1-CZ2 4.18Å; L186-W190 VanDerWaalsContact O-CD1 3.26Å; L186-W190 PolarHBondContact O-N 3.48Å; M187-W190 PolarHBondContact O-N 3.28Å; S188-W190 PolarHBondContact O-N 2.76Å; W190-L193 HydrophobicContact CE3-CD2 3.91Å; W190-L193 HydrophobicContact CZ3-CD2 3.99Å; W190-L193 PolarHBondContact O-N 3.26Å; W190-Q194 WeakPolarHBondContact O-CB 3.42Å; W190-Q194 PolarHBondContact O-N 3.29Å
191T95.8Very high94.7Very high58 Ų5837.8 Ų37.836%0.35620%0.201SC..Hα-helixtrans-63.1-43.7175.3-55.50000110.9Q158 M187 S188 L193 Q194 V195Q158-T191 PolarHBondContact NE2-OG1 3.26Å; M187-T191 WeakPolarHBondContact O-CB 3.39Å; M187-T191 PolarHBondContact O-N 3.44Å; M187-T191 PolarHBondContact O-OG1 3.23Å; S188-T191 PolarHBondContact O-N 3.2Å; T191-L193 PolarHBondContact O-N 3.45Å; T191-Q194 PolarHBondContact O-N 3.5Å; T191-V195 WeakPolarHBondContact O-CG2 3.38Å; T191-V195 PolarHBondContact O-N 2.96Å
192A95.3Very high94.3Very high28 Ų2839.6 Ų39.623%0.23121%0.209CC..Hα-helixtrans-62.9-41.8175.900000111.8I50 P54 S188 V189 V195 Y196I50-A192 HydrophobicContact CD1-CB 4.28Å; I50-A192 HydrophobicContact CG1-CB 4.11Å; I50-A192 HydrophobicContact CG2-CB 4.3Å; P54-A192 HydrophobicContact CG-CB 4.09Å; S188-A192 VanDerWaalsContact O-CB 3.23Å; S188-A192 WeakPolarHBondContact O-CB 3.14Å; S188-A192 PolarHBondContact O-N 3.01Å; V189-A192 PolarHBondContact O-N 3.47Å; A192-V195 PolarHBondContact O-N 3.42Å; A192-Y196 WeakPolarHBondContact O-CB 3.49Å; A192-Y196 PolarHBondContact O-N 3.01Å
193L96.5Very high93.8Very high0 Ų044.6 Ų44.60%024%0.239CC..Hα-helixtrans-61.2-45173.9-178.765.8000111.6F47 L141 V154 V189 W190 T191 V195 Y196 V197F47-L193 HydrophobicContact CE2-CD1 3.92Å; L141-L193 HydrophobicContact CD2-CD2 3.91Å; V154-L193 HydrophobicContact CG1-CB 4.46Å; V154-L193 HydrophobicContact CG1-CD2 4.11Å; V154-L193 HydrophobicContact CG1-CG 4.23Å; V154-L193 HydrophobicContact CG2-CD2 4.29Å; V154-L193 HydrophobicContact CG2-CG 4.44Å; V189-L193 PolarHBondContact O-N 3.42Å; W190-L193 HydrophobicContact CE3-CD2 3.91Å; W190-L193 HydrophobicContact CZ3-CD2 3.99Å; W190-L193 PolarHBondContact O-N 3.26Å; T191-L193 PolarHBondContact O-N 3.45Å; L193-V195 PolarHBondContact O-N 2.89Å; L193-Y196 HydrophobicContact CD1-CD1 4.43Å; L193-Y196 PolarHBondContact O-N 3.28Å; L193-V197 HydrophobicContact CD1-CG2 4.15Å; L193-V197 HydrophobicContact CG-CG2 4.34Å; L193-V197 WeakPolarHBondContact O-CB 3.37Å; L193-V197 VanDerWaalsContact O-CG2 3.27Å; L193-V197 WeakPolarHBondContact O-CG2 3.33Å; L193-V197 PolarHBondContact O-N 3.3Å
194Q95.1Very high93.4Very high52 Ų5243.2 Ų43.224%0.24324%0.235CC..Hα-helixtrans-59.4-47.1178.6-169.1-163.96.800111.6V154 W190 T191 V197 N198V154-Q194 HydrophobicContact CG1-CB 3.93Å; V154-Q194 HydrophobicContact CG1-CG 4.48Å; W190-Q194 WeakPolarHBondContact O-CB 3.42Å; W190-Q194 PolarHBondContact O-N 3.29Å; T191-Q194 PolarHBondContact O-N 3.5Å; Q194-V197 PolarHBondContact O-N 3Å; Q194-N198 WeakPolarHBondContact O-CB 3.23Å; Q194-N198 PolarHBondContact O-N 3.31Å
195V93.9Very high93.1Very high90 Ų9036.6 Ų36.655%0.54521%0.207SC..Hα-helixtrans-61.1-45177.3170.60000110.7T191 A192 L193 N198 K199T191-V195 WeakPolarHBondContact O-CG2 3.38Å; T191-V195 PolarHBondContact O-N 2.96Å; A192-V195 PolarHBondContact O-N 3.42Å; L193-V195 PolarHBondContact O-N 2.89Å; V195-N198 PolarHBondContact O-N 2.85Å; V195-K199 WeakPolarHBondContact O-CB 3.38Å; V195-K199 PolarHBondContact O-N 3.5Å
196Y94.1Very high92.7Very high7 Ų740.5 Ų40.53%0.02723%0.231CC..Hα-helixtrans-60.3-49.3177.2168.2-96.5000112.6S43 E46 F47 I50 I87 W143 A192 L193 N198 K199 H200 H201S43-Y196 WeakPolarHBondContact O-CE2 3.43Å; S43-Y196 PolarHBondContact O-OH 3.42Å; S43-Y196 PolarHBondContact OG-OH 3.21Å; E46-Y196 HydrophobicContact CB-CD2 4.19Å; E46-Y196 HydrophobicContact CB-CE2 4.35Å; F47-Y196 HydrophobicContact CB-CD2 4.47Å; F47-Y196 HydrophobicContact CB-CE1 4.35Å; F47-Y196 HydrophobicContact CB-CE2 3.89Å; F47-Y196 AromaticContact CD2-CD1 3.83Å; F47-Y196 HydrophobicContact CD2-CD1 3.83Å; F47-Y196 AromaticContact CD2-CE1 3.5Å; F47-Y196 HydrophobicContact CD2-CE1 3.5Å; F47-Y196 HydrophobicContact CD2-CE2 4.45Å; F47-Y196 HydrophobicContact CD2-CG 4.41Å; F47-Y196 AromaticContact CD2-CZ 3.84Å; F47-Y196 HydrophobicContact CE2-CD1 4.49Å; F47-Y196 HydrophobicContact CE2-CE1 4.28Å; F47-Y196 HydrophobicContact CG-CE1 4.36Å; I50-Y196 HydrophobicContact CD1-CG 4.05Å; I87-Y196 HydrophobicContact CD1-CE1 4.06Å; I87-Y196 WeakPolarHBondContact CG2-OH 3.34Å; W143-Y196 HydrophobicContact CZ2-CE1 4.39Å; A192-Y196 WeakPolarHBondContact O-CB 3.49Å; A192-Y196 PolarHBondContact O-N 3.01Å; L193-Y196 HydrophobicContact CD1-CD1 4.43Å; L193-Y196 PolarHBondContact O-N 3.28Å; Y196-N198 VanDerWaalsContact C-N 3.29Å; Y196-N198 PolarHBondContact O-N 3.26Å; Y196-K199 PolarHBondContact O-N 3.44Å; Y196-H200 AromaticContact CD2-CD2 3.52Å; Y196-H200 HydrophobicContact CE2-CB 4.3Å; Y196-H200 AromaticContact CE2-CD2 3.46Å; Y196-H200 VanDerWaalsContact CE2-CD2 3.46Å; Y196-H200 WeakPolarHBondContact CE2-CD2 3.24Å; Y196-H200 PolarHBondContact O-N 3.35Å; Y196-H201 AromaticContact CE1-CD2 3.7Å; Y196-H201 AromaticContact CZ-CD2 3.92Å; Y196-H201 AromaticContact CZ-NE2 3.91Å; Y196-H201 PolarHBondContact OH-NE2 3.35Å
197V93.9Very high92.1Very high0 Ų042.2 Ų42.20%024%0.237CC..Hα-helixtrans-61.4-41.5178.41730000110.3W143 P150 S151 V154 L193 Q194 K199 H201 T202W143-V197 HydrophobicContact CD2-CG1 4.16Å; W143-V197 HydrophobicContact CD2-CG2 3.61Å; W143-V197 VanDerWaalsContact CE2-CG2 3.45Å; W143-V197 HydrophobicContact CE3-CG1 3.88Å; W143-V197 HydrophobicContact CE3-CG2 4.03Å; W143-V197 HydrophobicContact CG-CG2 4.07Å; W143-V197 HydrophobicContact CH2-CG2 4.21Å; W143-V197 HydrophobicContact CZ2-CG2 3.77Å; W143-V197 HydrophobicContact CZ3-CG1 4.26Å; W143-V197 HydrophobicContact CZ3-CG2 4.32Å; P150-V197 HydrophobicContact CB-CG1 3.64Å; P150-V197 HydrophobicContact CG-CG1 3.69Å; S151-V197 WeakPolarHBondContact OG-CG1 3.44Å; V154-V197 HydrophobicContact CG2-CG2 4.44Å; L193-V197 HydrophobicContact CD1-CG2 4.15Å; L193-V197 HydrophobicContact CG-CG2 4.34Å; L193-V197 WeakPolarHBondContact O-CB 3.37Å; L193-V197 VanDerWaalsContact O-CG2 3.27Å; L193-V197 WeakPolarHBondContact O-CG2 3.33Å; L193-V197 PolarHBondContact O-N 3.3Å; Q194-V197 PolarHBondContact O-N 3Å; V197-K199 VanDerWaalsContact C-N 3.28Å; V197-K199 PolarHBondContact O-N 3.28Å; V197-H201 HydrophobicContact CG1-CB 4.31Å; V197-H201 CarbonylContact O-C 3.38Å; V197-H201 WeakPolarHBondContact O-CA 3.47Å; V197-H201 PolarHBondContact O-N 3.46Å; V197-T202 PolarHBondContact O-N 2.97Å
198N91.5Very high91.4Very high95 Ų9542.5 Ų42.551%0.50824%0.239SC..Hα-helixtrans-65.2-35.6179.7-165.438.8000112S151 Q194 V195 Y196 T202S151-N198 WeakPolarHBondContact OG-CA 3.4Å; S151-N198 VanDerWaalsContact OG-CB 3.3Å; S151-N198 WeakPolarHBondContact OG-CB 3.36Å; S151-N198 PolarHBondContact OG-N 3.44Å; Q194-N198 WeakPolarHBondContact O-CB 3.23Å; Q194-N198 PolarHBondContact O-N 3.31Å; V195-N198 PolarHBondContact O-N 2.85Å; Y196-N198 VanDerWaalsContact C-N 3.29Å; Y196-N198 PolarHBondContact O-N 3.26Å; N198-T202 PolarHBondContact O-OG1 3.34Å
199K91.3Very high90.5Very high123 Ų12344.7 Ų44.754%0.53526%0.26SS..Hα-helixtrans-77.6-44.8-178.2-176.9178.1171.7-169.20113.5E46 V195 Y196 V197E46-K199 IonicContact OE1-NZ 2.68Å; E46-K199 PolarHBondContact OE1-NZ 3.39Å; E46-K199 WeakPolarHBondContact OE2-CD 2.95Å; E46-K199 WeakPolarHBondContact OE2-CE 3.27Å; E46-K199 IonicContact OE2-NZ 2.89Å; E46-K199 PolarHBondContact OE2-NZ 3.32Å; V195-K199 WeakPolarHBondContact O-CB 3.38Å; V195-K199 PolarHBondContact O-N 3.5Å; Y196-K199 PolarHBondContact O-N 3.44Å; V197-K199 VanDerWaalsContact C-N 3.28Å; V197-K199 PolarHBondContact O-N 3.28Å
200H90.5Very high89.4Confident25 Ų2554.6 Ų54.612%0.11630%0.298CS..Hα-helixtrans-106.9-19.8-172.2-65.6-78000114.4E46 Y196 V206E46-H200 IonicContact OE1-CE1 3.1Å; E46-H200 IonicContact OE1-NE2 2.79Å; E46-H200 IonicContact OE2-CD2 3.26Å; E46-H200 IonicContact OE2-CE1 2.67Å; E46-H200 IonicContact OE2-NE2 4Å; E46-H200 PolarHBondContact OE2-NE2 2.84Å; Y196-H200 AromaticContact CD2-CD2 3.52Å; Y196-H200 HydrophobicContact CE2-CB 4.3Å; Y196-H200 AromaticContact CE2-CD2 3.46Å; Y196-H200 VanDerWaalsContact CE2-CD2 3.46Å; Y196-H200 WeakPolarHBondContact CE2-CD2 3.24Å; Y196-H200 PolarHBondContact O-N 3.35Å; H200-V206 WeakPolarHBondContact O-CG2 3.23Å
201H90.8Very high88.1Confident6 Ų655.5 Ų55.53%0.02831%0.307CS..  trans-137.739-168.8-63.1-54.2000112.3W143 P150 Y196 V197 T203 G204 V206W143-H201 HydrophobicContact CH2-CB 3.78Å; W143-H201 AromaticContact CH2-CD2 3.34Å; W143-H201 WeakPolarHBondContact CH2-CD2 3.15Å; W143-H201 AromaticContact CH2-CG 3.56Å; W143-H201 HydrophobicContact CZ3-CB 3.53Å; W143-H201 AromaticContact CZ3-CG 3.8Å; P150-H201 WeakPolarHBondContact CG-O 3.27Å; Y196-H201 AromaticContact CE1-CD2 3.7Å; Y196-H201 AromaticContact CZ-CD2 3.92Å; Y196-H201 AromaticContact CZ-NE2 3.91Å; Y196-H201 PolarHBondContact OH-NE2 3.35Å; V197-H201 HydrophobicContact CG1-CB 4.31Å; V197-H201 CarbonylContact O-C 3.38Å; V197-H201 WeakPolarHBondContact O-CA 3.47Å; V197-H201 PolarHBondContact O-N 3.46Å; H201-T203 VanDerWaalsContact C-N 3.27Å; H201-T203 PolarHBondContact O-N 2.98Å; H201-T203 VanDerWaalsContact O-N 3.11Å; H201-G204 CarbonylContact C-O 3.54Å; H201-G204 VanDerWaalsContact CA-O 3.3Å; H201-G204 WeakPolarHBondContact CA-O 3.33Å; H201-G204 WeakPolarHBondContact CB-O 3.48Å; H201-G204 PolarHBondContact O-N 3.45Å; H201-V206 PolarHBondContact ND1-N 3.23Å
202T85.9Confident87.2Confident74 Ų7461 Ų6145%0.45433%0.326SS..THydrogen-bonded Turntrans-52.3-39.8-168.7-42.50000114.1P150 V197 N198P150-T202 WeakPolarHBondContact CD-O 3.36Å; V197-T202 PolarHBondContact O-N 2.97Å; N198-T202 PolarHBondContact O-OG1 3.34Å
203T84.9Confident86.2Confident104 Ų10463.6 Ų63.664%0.63834%0.34SS*.THydrogen-bonded Turntrans-110.46.6-178.455.30000113.9T147 P148 H201T147-T203 WeakPolarHBondContact CG2-O 3.28Å; P148-T203 WeakPolarHBondContact O-CA 3.42Å; H201-T203 VanDerWaalsContact C-N 3.27Å; H201-T203 PolarHBondContact O-N 2.98Å; H201-T203 VanDerWaalsContact O-N 3.11Å
204G87.6Confident85.2Confident6 Ų663.6 Ų63.66%0.06234%0.341CS..SBendtrans138.5176.4-174.400000112.6H201 V206H201-G204 CarbonylContact C-O 3.54Å; H201-G204 VanDerWaalsContact CA-O 3.3Å; H201-G204 WeakPolarHBondContact CA-O 3.33Å; H201-G204 WeakPolarHBondContact CB-O 3.48Å; H201-G204 PolarHBondContact O-N 3.45Å; G204-V206 PolarHBondContact O-N 3.18Å
205L87.7Confident84.3Confident19 Ų1964.7 Ų64.710%0.09935%0.351CS..  trans-60124.1177-17762.3000110.8I86 I87 A90 W143 L144 W207I86-L205 HydrophobicContact CG2-CD2 4.32Å; I87-L205 HydrophobicContact CG1-CD1 4.5Å; A90-L205 HydrophobicContact CB-CD1 4.08Å; A90-L205 HydrophobicContact CB-CD2 4.06Å; A90-L205 HydrophobicContact CB-CG 4.06Å; W143-L205 HydrophobicContact CH2-CD1 4.08Å; W143-L205 HydrophobicContact CZ3-CB 4.48Å; L144-L205 HydrophobicContact CD2-CD1 3.8Å; L144-L205 HydrophobicContact CD2-CD2 3.97Å; L144-L205 HydrophobicContact CD2-CG 4.32Å; L205-W207 HydrophobicContact CD2-CH2 4.24Å; L205-W207 HydrophobicContact CD2-CZ2 3.5Å; L205-W207 HydrophobicContact CG-CZ2 4.33Å; L205-W207 PolarHBondContact O-NE1 3.33Å
206V87.7Confident83.3Confident82 Ų8262 Ų6250%0.49734%0.338SS..  trans-90.5124.8-177.5174.40000109.1H200 H201 G204H200-V206 WeakPolarHBondContact O-CG2 3.23Å; H201-V206 PolarHBondContact ND1-N 3.23Å; G204-V206 PolarHBondContact O-N 3.18Å
207W86.1Confident82.2Confident37 Ų3765.6 Ų65.614%0.1436%0.364CS..  trans-105.6152.6-178.9-6382.8000111.4A90 K95 P96 L101 L205 A209 A214A90-W207 VanDerWaalsContact CA-CE3 3.46Å; A90-W207 HydrophobicContact CB-CD2 3.93Å; A90-W207 HydrophobicContact CB-CE3 3.68Å; A90-W207 HydrophobicContact CB-CH2 4.12Å; A90-W207 HydrophobicContact CB-CZ2 4.36Å; A90-W207 HydrophobicContact CB-CZ3 3.76Å; A90-W207 CarbonylContact O-C 3.59Å; A90-W207 WeakPolarHBondContact O-CA 3.44Å; K95-W207 HydrophobicContact CB-CB 4.04Å; K95-W207 HydrophobicContact CB-CD2 4.15Å; K95-W207 HydrophobicContact CB-CG 3.7Å; K95-W207 HydrophobicContact CG-CD2 4.46Å; K95-W207 HydrophobicContact CG-CG 4.2Å; P96-W207 VanDerWaalsContact CD-CH2 3.41Å; P96-W207 HydrophobicContact CG-CH2 3.73Å; P96-W207 HydrophobicContact CG-CZ2 3.98Å; P96-W207 HydrophobicContact CG-CZ3 4.17Å; L101-W207 HydrophobicContact CD1-CH2 4.15Å; L101-W207 HydrophobicContact CD1-CZ2 3.42Å; L101-W207 VanDerWaalsContact CD1-CZ2 3.42Å; L205-W207 HydrophobicContact CD2-CH2 4.24Å; L205-W207 HydrophobicContact CD2-CZ2 3.5Å; L205-W207 HydrophobicContact CG-CZ2 4.33Å; L205-W207 PolarHBondContact O-NE1 3.33Å; W207-A209 PolarHBondContact O-N 2.84Å; W207-A214 HydrophobicContact CE3-CB 4.44Å; W207-A214 HydrophobicContact CH2-CB 4.22Å; W207-A214 HydrophobicContact CZ3-CB 3.57Å
208N81Confident81Confident37 Ų3770.9 Ų70.920%0.19839%0.387CS..  trans-79.3105.4172.5-177.4-6.4000111.1A90 A91 C93 S94 R210 G211A90-N208 PolarHBondContact O-N 3.24Å; A91-N208 WeakPolarHBondContact O-CB 3.39Å; A91-N208 PolarHBondContact O-ND2 3.32Å; C93-N208 CarbonylContact C-O 3.52Å; C93-N208 PolarHBondContact O-N 2.77Å; S94-N208 WeakPolarHBondContact CA-O 3.49Å; S94-N208 PolarHBondContact N-O 2.82Å; N208-R210 PolarHBondContact O-N 3.37Å; N208-R210 PolarHBondContact OD1-N 3.12Å; N208-G211 PolarHBondContact O-N 3.14Å
209A76.7Confident80Confident95 Ų9567.8 Ų67.879%0.78537%0.37SS*.THydrogen-bonded Turntrans-57-21.5-179.200000114.7W207W207-A209 PolarHBondContact O-N 2.84Å
210R73.3Confident78.5Confident209 Ų20965.8 Ų65.879%0.78937%0.372SS*.THydrogen-bonded Turntrans-93.3-5.3-179.2-55.6-174-158.5-150.64.8113.7N208N208-R210 PolarHBondContact O-N 3.37Å; N208-R210 PolarHBondContact OD1-N 3.12Å
211G70.6Confident76.1Confident19 Ų1973.1 Ų73.120%0.19640%0.403CS..SBendtrans-78.6163.8-178.300000113.5E92 S94 N208E92-G211 WeakPolarHBondContact O-CA 3.42Å; S94-G211 VanDerWaalsContact CB-O 3.25Å; S94-G211 WeakPolarHBondContact CB-O 3.41Å; S94-G211 PolarHBondContact OG-O 2.91Å; N208-G211 PolarHBondContact O-N 3.14Å
212K76.8Confident73.3Confident172 Ų17277.8 Ų77.875%0.74844%0.437SS*.PPolyproline II helixtrans-66.1151.2163.3-66.2-179.8-178.2179.10109.2C93 S94 A214C93-K212 CarbonylContact C-O 3.44Å; C93-K212 VanDerWaalsContact CA-O 3.24Å; C93-K212 WeakPolarHBondContact CA-O 3.4Å; C93-K212 WeakPolarHBondContact CB-O 3.33Å; S94-K212 PolarHBondContact N-O 3.19Å; S94-K212 VanDerWaalsContact OG-C 3.24Å; S94-K212 PolarHBondContact OG-O 2.8Å; K212-A214 PolarHBondContact O-N 3.4Å
213P75.6Confident70.5Confident83 Ų8379.2 Ų79.254%0.53945%0.45SS..BIsolated β-bridgetrans-57.1136.7177.922.7-32.9000110.1S94 V215S94-P213 WeakPolarHBondContact OG-CA 3.36Å; P213-V215 PolarHBondContact O-N 3.49Å
214A73.6Confident68Low1 Ų180.4 Ų80.41%0.00846%0.459CS..PPolyproline II helixtrans-64.4134.2178.100000110.1L89 C93 S94 P96 I104 W207 K212L89-A214 HydrophobicContact CD1-CB 4.38Å; L89-A214 HydrophobicContact CD2-CB 4.04Å; L89-A214 HydrophobicContact CG-CB 3.99Å; C93-A214 HydrophobicContact CB-CB 3.63Å; S94-A214 PolarHBondContact O-N 2.85Å; P96-A214 HydrophobicContact CB-CB 4.23Å; P96-A214 HydrophobicContact CG-CB 4.23Å; I104-A214 HydrophobicContact CD1-CB 3.7Å; W207-A214 HydrophobicContact CE3-CB 4.44Å; W207-A214 HydrophobicContact CH2-CB 4.22Å; W207-A214 HydrophobicContact CZ3-CB 3.57Å; K212-A214 PolarHBondContact O-N 3.4Å
215V76.5Confident65.3Low74 Ų7486.8 Ų86.845%0.44850%0.497SS..  trans-122.1136.3175.6-169.40000107.7P213 S217 K218P213-V215 PolarHBondContact O-N 3.49Å; V215-S217 PolarHBondContact O-N 3.45Å; V215-K218 PolarHBondContact O-N 2.78Å
216A73.2Confident62.5Low35 Ų3596.5 Ų96.529%0.28953%0.532SS..G310 helixtrans-55.1-25.9-178.900000113.4L103 I104 K218 L219L103-A216 HydrophobicContact CB-CB 4.23Å; I104-A216 HydrophobicContact CG1-CB 4.24Å; A216-K218 PolarHBondContact O-N 2.98Å; A216-K218 VanDerWaalsContact O-N 3.16Å; A216-L219 PolarHBondContact O-N 3.3Å; A216-L219 VanDerWaalsContact O-N 3.07Å
217S72.2Confident59.7Low81 Ų81100.9 Ų100.957%0.56655%0.548SS*.G310 helixtrans-60-23.5176.660.20000114.2V215 L219 S220V215-S217 PolarHBondContact O-N 3.45Å; S217-L219 VanDerWaalsContact C-N 3.28Å; S217-L219 PolarHBondContact O-N 3.03Å; S217-S220 PolarHBondContact O-N 2.85Å
218K68.5Low57.2Low112 Ų112104.9 Ų104.949%0.48758%0.576SS.*G310 helixtrans-70.4-22.3175.8-75.3-173.1170.1-169.10113.7L89 C93 V215 A216L89-K218 HydrophobicContact CD1-CB 3.78Å; L89-K218 HydrophobicContact CD1-CD 3.54Å; L89-K218 HydrophobicContact CD1-CG 4.31Å; C93-K218 PolarHBondContact SG-NZ 3.1Å; V215-K218 PolarHBondContact O-N 2.78Å; A216-K218 PolarHBondContact O-N 2.98Å; A216-K218 VanDerWaalsContact O-N 3.16Å
219L70.2Confident54.9Low30 Ų30109.7 Ų109.716%0.15760%0.602CS.*THydrogen-bonded Turntrans-80.2-21.9175-127.670.2000111.6M82 E85 I86 L89 P107 A216 S217 K221M82-L219 HydrophobicContact SD-CD2 3.5Å; M82-L219 VanDerWaalsContact SD-CD2 3.5Å; M82-L219 HydrophobicContact SD-CG 4.2Å; E85-L219 HydrophobicContact CB-CD1 4.06Å; I86-L219 HydrophobicContact CG1-CD2 4.2Å; L89-L219 HydrophobicContact CD2-CD1 4.2Å; P107-L219 HydrophobicContact CG-CD2 4.28Å; A216-L219 PolarHBondContact O-N 3.3Å; A216-L219 VanDerWaalsContact O-N 3.07Å; S217-L219 VanDerWaalsContact C-N 3.28Å; S217-L219 PolarHBondContact O-N 3.03Å; L219-K221 PolarHBondContact O-N 3.43Å
220S59.9Low52.7Low81 Ų81110.2 Ų110.257%0.56660%0.6SS**  trans-83.991.1177.5-60.30000110.8S217 S222S217-S220 PolarHBondContact O-N 2.85Å; S220-S222 PolarHBondContact O-N 3.4Å
221K38.7Very low50.6Low178 Ų178107.8 Ų107.877%0.77460%0.602SS**  trans-7075.3164.9-72169-175.4146.20110.1E85 L219E85-K221 IonicContact OE1-NZ 2.81Å; E85-K221 PolarHBondContact OE1-NZ 3.42Å; L219-K221 PolarHBondContact O-N 3.43Å
222S32.1Very low48.7Very low104 Ų104113.1 Ų113.173%0.72764%0.635SS**  trans-91.6121.5157.455.80000108.6S220S220-S222 PolarHBondContact O-N 3.4Å
223S28.1Very low46.4Very low104 Ų104110.7 Ų110.773%0.72764%0.639SS**  trans-43148.6176.4-48.80000113.6T225S223-T225 PolarHBondContact O-N 3.49Å
224P32.8Very low44.5Very low130 Ų130111.3 Ų111.384%0.84465%0.652SS**  trans-70.2117.1-164.828.1-32.7000111.2
225T30Very low42.6Very low139 Ų139116.5 Ų116.585%0.85369%0.685SS**  trans-118.698.5164.1310000109.6S223S223-T225 PolarHBondContact O-N 3.49Å
226R29.3Very low40.6Very low223 Ų223118.9 Ų118.984%0.84270%0.702SS**  trans27.8117.2148.9-144.2167.886.1-176.38.2118.1V228R226-V228 PolarHBondContact O-N 2.86Å
227E28.6Very low38.8Very low175 Ų175122.8 Ų122.882%0.81873%0.725SS**  trans-38.3123.1153.4-60.5179.4164.300111.7
228V34.7Very low37.2Very low120 Ų120123.7 Ų123.773%0.72773%0.729SS**  trans-134.3100.4146.2-179.80000107R226 S230R226-V228 PolarHBondContact O-N 2.86Å; V228-S230 PolarHBondContact O-N 3.32Å
229N30.9Very low35.9Very low139 Ų139124.7 Ų124.774%0.74374%0.744SS**  trans-50.4127154.7-74.2-25.8000109.5
230S32.2Very low34.4Very low106 Ų106132.3 Ų132.374%0.74178%0.776SS**  161.2125.6119.1-76.30000110.4V228 C232V228-S230 PolarHBondContact O-N 3.32Å; S230-C232 PolarHBondContact O-N 3.12Å
231N28Very low33.6Very low157 Ų157133.6 Ų133.684%0.8478%0.781SS**  trans-0.8115143.3-60.624.1000115
232C30.3Very low34.2Very low132 Ų132131.7 Ų131.789%0.89278%0.784SS**  trans-162127.9137.1-95.90000109.5S230S230-C232 PolarHBondContact O-N 3.12Å
233S29.8Very low34.8Very low120 Ų120130.4 Ų130.484%0.83978%0.78SS**PPolyproline II helixtrans-54.1127.4-178.9-43.90000111.8
234A34.6Very low35.5Very low97 Ų97132.8 Ų132.880%0.80278%0.779SS**PPolyproline II helixtrans-69.9126.1169.600000109.8
235P34.3Very low36Very low109 Ų109134.5 Ų134.571%0.70878%0.78SS**PPolyproline II helixtrans-75.6148167.131.7-30.4000109.7P237P235-P237 WeakPolarHBondContact O-CD 3.46Å
236P35Very low36.5Very low124 Ų124131.9 Ų131.981%0.80577%0.773SS**PPolyproline II helixtrans-74.5127-175.230.4-33.8000110.8
237P35.1Very low36.9Very low118 Ų118125 Ų12577%0.76676%0.763SS**PPolyproline II helixtrans-88.5161172.127.4-16.9000111.8P235P235-P237 WeakPolarHBondContact O-CD 3.46Å
238P37.9Very low37.3Very low99 Ų99125.3 Ų125.364%0.64377%0.767SS**PPolyproline II helixtrans-88.5154.4-141.633.1-35.8000115F240P238-F240 PolarHBondContact O-N 3.05Å
239V42Very low37.1Very low134 Ų134124.7 Ų124.781%0.81277%0.768SS**  trans-58.7114.6170.7-83.10000111.4T241V239-T241 PolarHBondContact O-N 3.11Å
240F37.3Very low37.4Very low190 Ų190125.8 Ų125.883%0.83377%0.773SS**  trans-75.3107.5165-70.8-83.1000108.6P238P238-F240 PolarHBondContact O-N 3.05Å
241T44.5Very low37.8Very low107 Ų107129.3 Ų129.366%0.65678%0.778SS**  trans-74.2153.9175.849.70000111V239 A243V239-T241 PolarHBondContact O-N 3.11Å; T241-A243 PolarHBondContact O-N 2.79Å
242T51.6Low38.2Very low138 Ų138126 Ų12685%0.84777%0.772SS**THydrogen-bonded Turntrans-63.88.8-171.140.30000116.2
243A43.5Very low38.7Very low77 Ų77127 Ų12764%0.63677%0.769SS**THydrogen-bonded Turntrans-86-20.1178.600000113.9T241T241-A243 PolarHBondContact O-N 2.79Å
244H42.1Very low39.9Very low154 Ų154127.4 Ų127.471%0.71376%0.762SS**G310 helixtrans-85.7-12.9-175.2-146.9-52.9000114.3
245L43.9Very low40.9Very low167 Ų167130.4 Ų130.487%0.87476%0.764SS**G310 helixtrans-82.7-10.8175.1-76.8170.4000113.5A247L245-A247 VanDerWaalsContact C-N 3.34Å
246A41.7Very low42.6Very low84 Ų84127.5 Ų127.569%0.69475%0.746SS**G310 helixtrans-84-3.3-179.100000114.3
247A37.1Very low44.4Very low77 Ų77126.8 Ų126.864%0.63674%0.741SS**G310 helixtrans-106.215.8-168.500000116.1L245L245-A247 VanDerWaalsContact C-N 3.34Å
248M36.9Very low46.4Very low183 Ų183127.7 Ų127.790%0.90174%0.736SS**  trans-13035.1175.2-64.3-169.277.400114.5
249S30.9Very low48.4Very low107 Ų107125.2 Ų125.275%0.74872%0.72SS**  trans-93.874.4167.2176.70000111.5
250L37.1Very low50.3Low161 Ų161121.4 Ų121.484%0.84370%0.703SS**  trans-165.3123.1166.6-76.1-175000105.5
251Q39.5Very low52.4Low180 Ų180117.7 Ų117.784%0.84169%0.691SS**  cis-148.4140.618.2-76.1165.1-24.800108.8
252A37.5Very low54.2Low87 Ų87118.8 Ų118.872%0.71969%0.687SS**  trans-76.3134.7164.200000109.4
253D40.5Very low55.6Low154 Ų154114.8 Ų114.882%0.82467%0.668SS**  trans-102.9105.9162.4-149.6-5.6000107.2N255D253-N255 VanDerWaalsContact C-N 3.34Å; D253-N255 PolarHBondContact O-N 3.46Å
254D55Low57.3Low129 Ų129115.1 Ų115.169%0.6966%0.659SS**THydrogen-bonded Turntrans-93.739.1-152.2-142.11.7000113.2
255N55.7Low58.9Low160 Ų160114 Ų11486%0.85666%0.658SS**THydrogen-bonded Turntrans-143.824.8-177.8-98.6-29.2000115.8D253D253-N255 VanDerWaalsContact C-N 3.34Å; D253-N255 PolarHBondContact O-N 3.46Å
256S68.8Low60.6Low48 Ų48112.8 Ų112.834%0.33665%0.652SS.*  trans-86.7143.6169.789.40000111.6Q258 S259 A260S256-Q258 PolarHBondContact O-N 3.39Å; S256-Q258 VanDerWaalsContact O-N 3.14Å; S256-S259 WeakPolarHBondContact O-CB 3.44Å; S256-S259 PolarHBondContact O-N 3.5Å; S256-S259 PolarHBondContact OG-N 3.14Å; S256-S259 PolarHBondContact OG-OG 3.41Å; S256-A260 PolarHBondContact O-N 3.11Å
257P74.4Confident61.9Low108 Ų108115.8 Ų115.870%0.70165%0.645SS**Hα-helixtrans-60.7-22.9176.623.4-32.9000113L261P257-L261 WeakPolarHBondContact O-CG 3.41Å; P257-L261 PolarHBondContact O-N 2.8Å
258Q77.1Confident63.5Low138 Ų138114.5 Ų114.565%0.64564%0.64SS**Hα-helixtrans-70.6-40.5173.6-77.4179.6-18.200111.8S256 A260 L261 F262S256-Q258 PolarHBondContact O-N 3.39Å; S256-Q258 VanDerWaalsContact O-N 3.14Å; Q258-A260 VanDerWaalsContact C-N 3.27Å; Q258-A260 PolarHBondContact O-N 3.2Å; Q258-L261 PolarHBondContact O-N 3.11Å; Q258-F262 WeakPolarHBondContact O-CD2 3.41Å; Q258-F262 PolarHBondContact O-N 3.3Å; Q258-F262 VanDerWaalsContact O-N 3.09Å
259S78.9Confident65.3Low46 Ų46111.8 Ų111.832%0.32263%0.634SS.*Hα-helixtrans-59.8-39.3175.1-50.70000111.4S256 F262 A263S256-S259 WeakPolarHBondContact O-CB 3.44Å; S256-S259 PolarHBondContact O-N 3.5Å; S256-S259 PolarHBondContact OG-N 3.14Å; S256-S259 PolarHBondContact OG-OG 3.41Å; S259-F262 PolarHBondContact O-N 3.09Å; S259-A263 WeakPolarHBondContact O-CB 3.39Å; S259-A263 PolarHBondContact O-N 3.2Å
260A81.4Confident67.3Low55 Ų55109.2 Ų109.246%0.45562%0.619SS.*Hα-helixtrans-64.2-40.9175.900000112.8S256 Q258 A263 D264S256-A260 PolarHBondContact O-N 3.11Å; Q258-A260 VanDerWaalsContact C-N 3.27Å; Q258-A260 PolarHBondContact O-N 3.2Å; A260-A263 PolarHBondContact O-N 3.11Å; A260-D264 PolarHBondContact O-N 2.98Å
261L81.7Confident68.7Low111 Ų111105 Ų10558%0.58160%0.6SS**Hα-helixtrans-65.1-40.9177.2-72.3170.1000112.4P257 Q258 D264 L265P257-L261 WeakPolarHBondContact O-CG 3.41Å; P257-L261 PolarHBondContact O-N 2.8Å; Q258-L261 PolarHBondContact O-N 3.11Å; L261-D264 PolarHBondContact O-N 3.33Å; L261-L265 WeakPolarHBondContact O-CG 3.41Å; L261-L265 PolarHBondContact O-N 2.91Å
262F81.9Confident70Confident131 Ų131102.4 Ų102.458%0.57559%0.59SS**Hα-helixtrans-71.3-32.6176.2-74.8-72.3000112.3Q258 S259 L265 N266Q258-F262 WeakPolarHBondContact O-CD2 3.41Å; Q258-F262 PolarHBondContact O-N 3.3Å; Q258-F262 VanDerWaalsContact O-N 3.09Å; S259-F262 PolarHBondContact O-N 3.09Å; F262-L265 HydrophobicContact CD1-CD1 4.42Å; F262-L265 PolarHBondContact O-N 3.23Å; F262-N266 WeakPolarHBondContact O-CB 3.45Å; F262-N266 PolarHBondContact O-N 2.91Å
263A81.2Confident71.7Confident53 Ų53102.8 Ų102.844%0.43859%0.588SS.*Hα-helixtrans-63.4-40.5170.900000111.8S259 A260 N266 R267S259-A263 WeakPolarHBondContact O-CB 3.39Å; S259-A263 PolarHBondContact O-N 3.2Å; A260-A263 PolarHBondContact O-N 3.11Å; A263-N266 PolarHBondContact O-N 2.91Å; A263-R267 WeakPolarHBondContact O-CG 3.48Å; A263-R267 PolarHBondContact O-N 3.46Å
264D79Confident73.5Confident85 Ų85102 Ų10246%0.45558%0.584SS.*Hα-helixtrans-69.4-36.7176.1-86.1-19.7000113.1A260 L261 R267A260-D264 PolarHBondContact O-N 2.98Å; L261-D264 PolarHBondContact O-N 3.33Å; D264-R267 PolarHBondContact O-N 2.93Å; D264-R267 IonicContact OD1-CZ 2.67Å; D264-R267 IonicContact OD1-NH1 3.82Å; D264-R267 PolarHBondContact OD1-NH1 3.28Å
265L77.5Confident74.3Confident130 Ų130101.8 Ų101.868%0.68158%0.582SS**Hα-helixtrans-67.2-40.9173.6-77.3168.7000112.2L261 F262 R267 G268L261-L265 WeakPolarHBondContact O-CG 3.41Å; L261-L265 PolarHBondContact O-N 2.91Å; F262-L265 HydrophobicContact CD1-CD1 4.42Å; F262-L265 PolarHBondContact O-N 3.23Å; L265-R267 PolarHBondContact O-N 3Å; L265-G268 PolarHBondContact O-N 2.86Å
266N78.5Confident75.3Confident141 Ų141105.8 Ų105.875%0.75459%0.585SS**Hα-helixtrans-72-9.8-180-78.6-18.8000113.8F262 A263 G268F262-N266 WeakPolarHBondContact O-CB 3.45Å; F262-N266 PolarHBondContact O-N 2.91Å; A263-N266 PolarHBondContact O-N 2.91Å; N266-G268 PolarHBondContact O-N 2.97Å
267R68.7Low75.8Confident147 Ų147112.5 Ų112.556%0.55561%0.608SS**THydrogen-bonded Turntrans-67.2-12.6172.8-80.2172.4174.7172.6-6.1113.3A263 D264 L265 T269 A270 V271A263-R267 WeakPolarHBondContact O-CG 3.48Å; A263-R267 PolarHBondContact O-N 3.46Å; D264-R267 PolarHBondContact O-N 2.93Å; D264-R267 IonicContact OD1-CZ 2.67Å; D264-R267 IonicContact OD1-NH1 3.82Å; D264-R267 PolarHBondContact OD1-NH1 3.28Å; L265-R267 PolarHBondContact O-N 3Å; R267-T269 PolarHBondContact O-N 3.18Å; R267-A270 HydrophobicContact CB-CB 4.36Å; R267-A270 VanDerWaalsContact O-CB 3.23Å; R267-A270 WeakPolarHBondContact O-CB 3.35Å; R267-A270 PolarHBondContact O-N 2.95Å; R267-V271 HydrophobicContact CB-CG2 4.02Å
268G71.2Confident76Confident50 Ų50111.3 Ų111.352%0.51560%0.599SS.*G310 helixtrans50-122.117000000113.2L265 N266 A270 V271L265-G268 PolarHBondContact O-N 2.86Å; N266-G268 PolarHBondContact O-N 2.97Å; G268-A270 PolarHBondContact O-N 3.29Å; G268-V271 WeakPolarHBondContact O-CG2 3.41Å; G268-V271 PolarHBondContact O-N 3.02Å
269T74.6Confident76.3Confident126 Ų126107.9 Ų107.977%0.77359%0.587SS**G310 helixtrans-70.7-11.9179530000113.9R267 V271 I272R267-T269 PolarHBondContact O-N 3.18Å; T269-V271 PolarHBondContact O-N 3.42Å; T269-I272 WeakPolarHBondContact O-CG1 3.21Å; T269-I272 PolarHBondContact O-N 2.94Å
270A72.3Confident76.3Confident53 Ų53110.3 Ų110.344%0.43860%0.597SS.*G310 helixtrans-67.5-20.817500000112.5R267 G268 I272 S273R267-A270 HydrophobicContact CB-CB 4.36Å; R267-A270 VanDerWaalsContact O-CB 3.23Å; R267-A270 WeakPolarHBondContact O-CB 3.35Å; R267-A270 PolarHBondContact O-N 2.95Å; G268-A270 PolarHBondContact O-N 3.29Å; A270-I272 PolarHBondContact O-N 3.41Å; A270-S273 WeakPolarHBondContact O-CB 3.37Å; A270-S273 PolarHBondContact O-N 3.29Å; A270-S273 VanDerWaalsContact O-N 3.08Å; A270-S273 PolarHBondContact O-OG 3.46Å
271V68.3Low76.2Confident74 Ų74112.3 Ų112.345%0.44860%0.599SS.*G310 helixtrans-62.2-26.9178.4-174.80000112.1R267 G268 T269 S273 N274R267-V271 HydrophobicContact CB-CG2 4.02Å; G268-V271 WeakPolarHBondContact O-CG2 3.41Å; G268-V271 PolarHBondContact O-N 3.02Å; T269-V271 PolarHBondContact O-N 3.42Å; V271-S273 PolarHBondContact O-N 2.95Å; V271-N274 PolarHBondContact O-N 3.43Å
272I66.6Low76Confident124 Ų124112.4 Ų112.464%0.63660%0.598SS**G310 helixtrans-68.8-13.8176.959.7143.3000113.6T269 A270 N274 L275T269-I272 WeakPolarHBondContact O-CG1 3.21Å; T269-I272 PolarHBondContact O-N 2.94Å; A270-I272 PolarHBondContact O-N 3.41Å; I272-N274 VanDerWaalsContact C-N 3.3Å; I272-N274 PolarHBondContact O-N 3.34Å; I272-L275 PolarHBondContact O-N 3.44Å
273S73.4Confident76.1Confident95 Ų95109.7 Ų109.766%0.66459%0.586SS**G310 helixtrans-70.8-24.9175.566.30000113.3A270 V271A270-S273 WeakPolarHBondContact O-CB 3.37Å; A270-S273 PolarHBondContact O-N 3.29Å; A270-S273 VanDerWaalsContact O-N 3.08Å; A270-S273 PolarHBondContact O-OG 3.46Å; V271-S273 PolarHBondContact O-N 2.95Å
274N76.3Confident76Confident139 Ų139111 Ų11174%0.74359%0.589SS**G310 helixtrans-84.9-11.7177.2-75-23000113.3V271 I272V271-N274 PolarHBondContact O-N 3.43Å; I272-N274 VanDerWaalsContact C-N 3.3Å; I272-N274 PolarHBondContact O-N 3.34Å
275L72.2Confident76.1Confident123 Ų123113 Ų11364%0.64460%0.595SS**SBendtrans-84.7122176-63.3175.1000108.8I272 K277I272-L275 PolarHBondContact O-N 3.44Å; L275-K277 PolarHBondContact O-N 2.88Å
276R76.8Confident76.2Confident244 Ų244113.1 Ų113.192%0.92159%0.59SS**PPolyproline II helixtrans-56126.2175.8-70.7-174.6-161-110.80.8109.2V278R276-V278 PolarHBondContact O-N 3.47Å
277K79.2Confident76.1Confident189 Ų189108.8 Ų108.882%0.82257%0.567SS**PPolyproline II helixtrans-66.9120.4179-166.6170-175.5177.20109.4L275 T279L275-K277 PolarHBondContact O-N 2.88Å; K277-T279 PolarHBondContact O-N 3.12Å; K277-T279 VanDerWaalsContact O-N 3.09Å
278V79.9Confident76.4Confident84 Ų84105.8 Ų105.851%0.50957%0.567SS.*  trans-68.8105.5173-177.90000107.9R276 M282 K283R276-V278 PolarHBondContact O-N 3.47Å; V278-M282 HydrophobicContact CG1-CB 3.72Å; V278-K283 HydrophobicContact CG1-CG 4.2Å
279T81.8Confident76.6Confident65 Ų65111.7 Ų111.740%0.39958%0.578SS.*  trans-72.7159.4177.449.10000110.5K277 D281 M282K277-T279 PolarHBondContact O-N 3.12Å; K277-T279 VanDerWaalsContact O-N 3.09Å; T279-D281 WeakPolarHBondContact CB-OD1 3.41Å; T279-D281 PolarHBondContact O-N 2.82Å; T279-D281 PolarHBondContact OG1-OD1 2.92Å; T279-M282 WeakPolarHBondContact O-CB 3.48Å; T279-M282 PolarHBondContact O-N 3.19Å
280D79.1Confident76.3Confident98 Ų98110.5 Ų110.552%0.52457%0.567SS.*G310 helixtrans-61.9-28.5-173.2-81.6-17000112.7M282 K283 N287D280-M282 PolarHBondContact O-N 3.14Å; D280-K283 WeakPolarHBondContact O-CB 3.22Å; D280-K283 PolarHBondContact O-N 3.25Å; D280-K283 VanDerWaalsContact O-N 3.14Å; D280-K283 WeakPolarHBondContact OD1-CD 3.41Å; D280-K283 VanDerWaalsContact OD1-CE 3.29Å; D280-K283 WeakPolarHBondContact OD1-CE 3.47Å; D280-K283 IonicContact OD1-NZ 2.84Å; D280-K283 PolarHBondContact OD1-NZ 3.1Å; D280-N287 PolarHBondContact O-ND2 3.34Å
281D79.3Confident76.2Confident96 Ų96117.1 Ų117.151%0.51358%0.58SS.*G310 helixtrans-61.9-26.5173.158.8-65.2000113.2T279 N287 L290T279-D281 WeakPolarHBondContact CB-OD1 3.41Å; T279-D281 PolarHBondContact O-N 2.82Å; T279-D281 PolarHBondContact OG1-OD1 2.92Å; D281-N287 VanDerWaalsContact C-ND2 3.29Å; D281-N287 WeakPolarHBondContact CA-ND2 3.19Å; D281-N287 PolarHBondContact O-ND2 3.24Å; D281-L290 WeakPolarHBondContact O-CD1 3.4Å
282M79.1Confident75.3Confident114 Ų114121 Ų12156%0.56259%0.594SS**G310 helixtrans-85.4-9.3176.8-60.4-176.18500113.3V278 T279 D280 T284V278-M282 HydrophobicContact CG1-CB 3.72Å; T279-M282 WeakPolarHBondContact O-CB 3.48Å; T279-M282 PolarHBondContact O-N 3.19Å; D280-M282 PolarHBondContact O-N 3.14Å; M282-T284 PolarHBondContact O-N 3.27Å
283K82.3Confident74.6Confident74 Ų74117.9 Ų117.932%0.32259%0.591SS.*  trans-83.5111.5-179-62.8178.5-173.6166.30109.6V278 D280 H285 K286 N287V278-K283 HydrophobicContact CG1-CG 4.2Å; D280-K283 WeakPolarHBondContact O-CB 3.22Å; D280-K283 PolarHBondContact O-N 3.25Å; D280-K283 VanDerWaalsContact O-N 3.14Å; D280-K283 WeakPolarHBondContact OD1-CD 3.41Å; D280-K283 VanDerWaalsContact OD1-CE 3.29Å; D280-K283 WeakPolarHBondContact OD1-CE 3.47Å; D280-K283 IonicContact OD1-NZ 2.84Å; D280-K283 PolarHBondContact OD1-NZ 3.1Å; K283-H285 PolarHBondContact O-N 3.01Å; K283-K286 HydrophobicContact CB-CB 4.39Å; K283-K286 HydrophobicContact CB-CG 4.33Å; K283-K286 PolarHBondContact O-N 3.21Å; K283-N287 PolarHBondContact O-N 3.24Å; K283-N287 VanDerWaalsContact O-N 3.15Å; K283-N287 PolarHBondContact O-ND2 3.32Å
284T80.3Confident73.3Confident80 Ų80119.7 Ų119.749%0.49160%0.601SS.*THydrogen-bonded Turntrans-59.6-19.8-175.955.70000115M282M282-T284 PolarHBondContact O-N 3.27Å
285H81Confident71.4Confident127 Ų127120.7 Ų120.759%0.58861%0.605SS**THydrogen-bonded Turntrans-87.4-17175.374.1-86.8000113.8K283K283-H285 PolarHBondContact O-N 3.01Å
286K80.3Confident69.5Low132 Ų132121.5 Ų121.557%0.57461%0.607SS**THydrogen-bonded Turntrans-96.6-22.3175.5-64.9-61-172.8179.40112.5K283K283-K286 HydrophobicContact CB-CB 4.39Å; K283-K286 HydrophobicContact CB-CG 4.33Å; K283-K286 PolarHBondContact O-N 3.21Å
287N75.4Confident67.5Low50 Ų50118.7 Ų118.727%0.26760%0.604SS.*  trans-126.684.2-179-53.3-83.3000109.8D280 D281 K283 K289 L290D280-N287 PolarHBondContact O-ND2 3.34Å; D281-N287 VanDerWaalsContact C-ND2 3.29Å; D281-N287 WeakPolarHBondContact CA-ND2 3.19Å; D281-N287 PolarHBondContact O-ND2 3.24Å; K283-N287 PolarHBondContact O-N 3.24Å; K283-N287 VanDerWaalsContact O-N 3.15Å; K283-N287 PolarHBondContact O-ND2 3.32Å; N287-K289 PolarHBondContact O-N 2.96Å; N287-K289 VanDerWaalsContact O-N 3.1Å; N287-L290 HydrophobicContact CB-CD1 4.23Å; N287-L290 HydrophobicContact CB-CG 4.13Å; N287-L290 WeakPolarHBondContact O-CB 3.45Å; N287-L290 PolarHBondContact O-N 3.37Å
288P75.5Confident65.1Low84 Ų84116.2 Ų116.255%0.54561%0.605SS.*G310 helixtrans-54.5-30.3179.7-25.433.8000113.2L290 R291P288-L290 PolarHBondContact O-N 2.94Å; P288-R291 VanDerWaalsContact O-CB 3.28Å; P288-R291 WeakPolarHBondContact O-CB 3.19Å; P288-R291 PolarHBondContact O-N 3.49Å
289K74.3Confident62.7Low175 Ų175118.5 Ų118.576%0.76162%0.619SS**G310 helixtrans-59.2-24.5176.4-62.2-175.4-179.7-178.60113.9N287 R291 E292N287-K289 PolarHBondContact O-N 2.96Å; N287-K289 VanDerWaalsContact O-N 3.1Å; K289-R291 PolarHBondContact O-N 3.36Å; K289-E292 PolarHBondContact O-N 3.43Å
290L69.6Low60.2Low101 Ų101126.5 Ų126.553%0.52964%0.642SS.*G310 helixtrans-69.4-15.4173.4-71.8-177.6000113.1D281 N287 P288 E292D281-L290 WeakPolarHBondContact O-CD1 3.4Å; N287-L290 HydrophobicContact CB-CD1 4.23Å; N287-L290 HydrophobicContact CB-CG 4.13Å; N287-L290 WeakPolarHBondContact O-CB 3.45Å; N287-L290 PolarHBondContact O-N 3.37Å; P288-L290 PolarHBondContact O-N 2.94Å; L290-E292 VanDerWaalsContact C-N 3.31Å
291R68.7Low58Low191 Ų191129.8 Ų129.872%0.72166%0.659SS**G310 helixtrans-80.6-16.7170.2-65179.7170.3-179.8-4.6112.2P288 K289 G293P288-R291 VanDerWaalsContact O-CB 3.28Å; P288-R291 WeakPolarHBondContact O-CB 3.19Å; P288-R291 PolarHBondContact O-N 3.49Å; K289-R291 PolarHBondContact O-N 3.36Å; R291-G293 PolarHBondContact O-N 3.18Å
292E50.2Low55.7Low157 Ų157133.4 Ų133.473%0.73467%0.673SS**  trans-101.766.8-173-63.6175.417900110K289 L290K289-E292 PolarHBondContact O-N 3.43Å; L290-E292 VanDerWaalsContact C-N 3.31Å
293G52.5Low53.5Low57 Ų57138 Ų13859%0.58869%0.69SS**PPolyproline II helixtrans-102.9149.6168.400000111.5R291R291-G293 PolarHBondContact O-N 3.18Å
294P45.3Very low50.9Low134 Ų134141.9 Ų141.987%0.8772%0.715SS**PPolyproline II helixtrans-82.5143.4-137.230.5-35.8000115.6
295I36.8Very low48.6Very low159 Ų159143.7 Ų143.782%0.81573%0.731SS**PPolyproline II helixtrans-75.9142.1177.7-58.2164.6000109.3H297I295-H297 PolarHBondContact O-N 3.09Å
296M32.8Very low46.4Very low140 Ų140143.5 Ų143.569%0.6974%0.741SS**PPolyproline II helixtrans-54.6121-174.8-59.7160.6-174.700112.8
297H34.1Very low44Very low186 Ų186142.5 Ų142.586%0.86175%0.75SS**  trans-97.1115.7156-79.5-76.8000108.7I295 T299I295-H297 PolarHBondContact O-N 3.09Å; H297-T299 PolarHBondContact O-N 3.22Å
298T28Very low42Very low136 Ų136145.5 Ų145.583%0.83478%0.775SS**  trans-80.3108.4175.748.70000109.3
299T30.2Very low39.9Very low133 Ų133148.8 Ų148.882%0.81679%0.788SS**  trans-110.711516048.10000108.8H297 D301H297-T299 PolarHBondContact O-N 3.22Å; T299-D301 PolarHBondContact O-N 3.03Å
300R28.6Very low37.9Very low233 Ų233146.4 Ų146.488%0.87979%0.79SS**  trans-47.8123.4168.1-76168.7167.9156.8-4.3109.8
301D34.3Very low36.1Very low166 Ų166148 Ų14889%0.88880%0.804SS**  trans-133.7122.6140.4-94.1-46.4000109.5T299T299-D301 PolarHBondContact O-N 3.03Å
302Q29.7Very low34.5Very low173 Ų173145.4 Ų145.481%0.80881%0.809SS**  trans-74.2129.4-179.3-65.9170.8-23.800108.9
303K33.9Very low33.6Very low210 Ų210148.5 Ų148.591%0.91381%0.814SS**  trans-145.9108.9146-117.4173.1-176.7176.40110
304N28.1Very low32.8Very low156 Ų156150.7 Ų150.783%0.83482%0.818SS**  trans-60.2139.3170.8-71.2-27.7000111.2
305S32Very low32.4Very low118 Ų118150.5 Ų150.583%0.82582%0.817SS**  172.3156.2123.150.50000110.5
306P34Very low32.1Very low123 Ų123147.4 Ų147.480%0.79981%0.809SS**  trans-112.7176.2-134.241.1-34.9000115.7
307S30.4Very low32.3Very low110 Ų110147 Ų14777%0.76981%0.806SS**  trans89.298.7157.8-1770000117.9
308S32.7Very low32.3Very low113 Ų113147.5 Ų147.579%0.7981%0.806SS**  170.4152.6104.2490000111.1
309N31.6Very low32.4Very low153 Ų153144 Ų14482%0.81880%0.796SS**  trans-51.2143.3-159.2-66.1-31000117.1T311N309-T311 PolarHBondContact O-N 2.96Å
310P33.2Very low32.8Very low125 Ų125144 Ų14481%0.81280%0.802SS**  trans-80.9105.5178.831.5-30.1000110.9V312P310-V312 PolarHBondContact O-N 3.14Å
311T32.1Very low33.4Very low134 Ų134136.1 Ų136.182%0.82278%0.782SS**  trans-61.6129.7155.5-44.40000108.4N309 R313N309-T311 PolarHBondContact O-N 2.96Å; T311-R313 PolarHBondContact O-N 3.27Å; T311-R313 VanDerWaalsContact O-N 3.1Å
312V33.8Very low34.2Very low137 Ų137130.8 Ų130.883%0.8377%0.767SS**  trans-47.1111.2-179.9177.20000110.7P310P310-V312 PolarHBondContact O-N 3.14Å
313R31.3Very low36.2Very low222 Ų222127.1 Ų127.184%0.83877%0.766SS**PPolyproline II helixtrans-98.2119.9171.4-178-177-68.6-107.80.5108.2T311T311-R313 PolarHBondContact O-N 3.27Å; T311-R313 VanDerWaalsContact O-N 3.1Å
314P35.9Very low38.3Very low103 Ų103118.9 Ų118.967%0.66974%0.741SS**PPolyproline II helixtrans-73.2154.3172.329.3-30.4000110.6S316P314-S316 PolarHBondContact O-N 3.17Å
315P36.7Very low41.1Very low130 Ų130112.6 Ų112.684%0.84471%0.709SS**PPolyproline II helixtrans-67.3124.3-165.5-17.130.9000112.2
316S30.8Very low43.9Very low94 Ų94110.3 Ų110.366%0.65769%0.687SS**PPolyproline II helixtrans-63.5132.4155.547.90000109.4P314P314-S316 PolarHBondContact O-N 3.17Å
317E37Very low46.6Very low133 Ų133108.4 Ų108.462%0.62167%0.667SS**  168.1139.2119.2-92.3-179.7-15900114.4
318K33.6Very low49.5Very low196 Ų196106.5 Ų106.585%0.85265%0.648SS**  trans83.697.4157.7-67.8173.7-171.9-1790119.4
319G31.4Very low52.2Low62 Ų62107.3 Ų107.364%0.63963%0.634SS**  trans144.4106.115400000112.4S321G319-S321 PolarHBondContact O-N 3.06Å
320S37.4Very low55Low133 Ų133103 Ų10393%0.9363%0.625SS**SBendtrans-68.686.6179.955.20000112.2
321S41.8Very low57.7Low67 Ų67101.4 Ų101.447%0.46961%0.61SS.*SBendtrans-163.396.7154.663.20000109.8G319 Q339G319-S321 PolarHBondContact O-N 3.06Å; S321-Q339 PolarHBondContact OG-NE2 3.41Å
322G50.2Low60.6Low55 Ų55100.4 Ų100.457%0.56759%0.591SS**  trans63.6110.4173.400000114.7G324G322-G324 PolarHBondContact O-N 2.94Å
323A72.3Confident63.6Low96 Ų9696.1 Ų96.179%0.79356%0.56SS**  trans-57.7127171.900000109.8C325A323-C325 PolarHBondContact O-N 3.26Å
324G78.4Confident66.6Low36 Ų3686.5 Ų86.537%0.37153%0.525SS..  trans-56.1136.3175.600000110.6G322 E336G322-G324 PolarHBondContact O-N 2.94Å; G324-E336 CarbonylContact C-O 3.5Å; G324-E336 VanDerWaalsContact CA-O 3.28Å; G324-E336 WeakPolarHBondContact CA-O 3.4Å
325C86.6Confident69.4Low24 Ų2481.6 Ų81.616%0.16249%0.493CS..EExtended strand (participates in β ladder)trans-121.3119.4-174.2163.90000109.2A323 V335 E336 F338A323-C325 PolarHBondContact O-N 3.26Å; C325-V335 CarbonylContact O-C 3.54Å; C325-V335 WeakPolarHBondContact O-CA 3.3Å; C325-E336 HydrophobicContact CB-CG 3.53Å; C325-E336 PolarHBondContact N-O 3.44Å; C325-E336 PolarHBondContact O-N 3.15Å; C325-E336 PolarHBondContact SG-OE1 3.27Å; C325-F338 WeakPolarHBondContact O-CE2 3.34Å
326L91.5Very high72.1Confident70 Ų7077.5 Ų77.537%0.36646%0.463SS..EExtended strand (participates in β ladder)trans-124.499.8174.9176.267.8000107.9I334 V335 F338 I346L326-I334 VanDerWaalsContact CA-O 3.28Å; L326-I334 WeakPolarHBondContact CA-O 3.07Å; L326-V335 HydrophobicContact CD1-CB 4.44Å; L326-V335 HydrophobicContact CD1-CG1 4.41Å; L326-V335 HydrophobicContact CD1-CG2 3.66Å; L326-F338 HydrophobicContact CB-CE2 3.91Å; L326-F338 HydrophobicContact CB-CZ 3.71Å; L326-I346 HydrophobicContact CD1-CD1 4.1Å; L326-I346 HydrophobicContact CD1-CG1 3.93Å
327E90.6Very high75Confident84 Ų8475.5 Ų75.539%0.39345%0.445SS..EExtended strand (participates in β ladder)trans-151.3154.9179.968.5-177.2176.600112.9R329 I334E327-R329 HydrophobicContact CG-CG 4.05Å; E327-R329 IonicContact OE1-CZ 3.85Å; E327-R329 IonicContact OE1-NE 3.49Å; E327-R329 PolarHBondContact OE1-NE 2.91Å; E327-R329 IonicContact OE1-NH2 3.98Å; E327-R329 PolarHBondContact OE1-NH2 2.8Å; E327-I334 PolarHBondContact N-O 3.15Å; E327-I334 VanDerWaalsContact N-O 3.1Å; E327-I334 PolarHBondContact O-N 3.27Å
328L91.4Very high77.5Confident70 Ų7070.9 Ų70.937%0.36642%0.423SS..EExtended strand (participates in β ladder)trans-90.8109.1173.417961000109.3G330 W333L328-G330 WeakPolarHBondContact CD1-O 3.45Å; L328-G330 WeakPolarHBondContact CG-O 3.47Å; L328-W333 HydrophobicContact CB-CD2 4.03Å; L328-W333 HydrophobicContact CB-CE3 3.93Å; L328-W333 HydrophobicContact CB-CH2 4.01Å; L328-W333 HydrophobicContact CB-CZ2 4.1Å; L328-W333 HydrophobicContact CB-CZ3 3.93Å; L328-W333 HydrophobicContact CD1-CD2 4.03Å; L328-W333 HydrophobicContact CD1-CG 4.03Å; L328-W333 HydrophobicContact CD2-CZ2 4.12Å; L328-W333 HydrophobicContact CG-CZ2 4.48Å
329R89Confident80.2Confident130 Ų13066.9 Ų66.949%0.49141%0.407SS..EExtended strand (participates in β ladder)trans-98.6100.3172.8-63.5-170.1-175.4148.512.4109.5E327 N331 R332 I334 E336E327-R329 HydrophobicContact CG-CG 4.05Å; E327-R329 IonicContact OE1-CZ 3.85Å; E327-R329 IonicContact OE1-NE 3.49Å; E327-R329 PolarHBondContact OE1-NE 2.91Å; E327-R329 IonicContact OE1-NH2 3.98Å; E327-R329 PolarHBondContact OE1-NH2 2.8Å; R329-N331 PolarHBondContact O-N 2.91Å; R329-R332 PolarHBondContact N-O 2.79Å; R329-R332 PolarHBondContact O-N 2.97Å; R329-R332 VanDerWaalsContact O-N 3.12Å; R329-I334 HydrophobicContact CB-CG1 4.37Å; R329-I334 HydrophobicContact CG-CG1 4.09Å; R329-E336 IonicContact NH2-OE1 3.67Å; R329-E336 PolarHBondContact NH2-OE1 2.94Å
330G89.3Confident82.8Confident62 Ų6267.9 Ų67.964%0.63941%0.405SS*.THydrogen-bonded Turntrans64.5-114.6-172.900000110.4L328L328-G330 WeakPolarHBondContact CD1-O 3.45Å; L328-G330 WeakPolarHBondContact CG-O 3.47Å
331N91.1Very high84.9Confident92 Ų9262.6 Ų62.649%0.49237%0.369SS..THydrogen-bonded Turntrans-104.314.6177.1-66.7-19.2000113.2R329 Q353 T354R329-N331 PolarHBondContact O-N 2.91Å; N331-Q353 CarbonylContact O-C 3.56Å; N331-Q353 VanDerWaalsContact O-CA 3.25Å; N331-Q353 WeakPolarHBondContact O-CA 3.37Å; N331-T354 PolarHBondContact O-N 3.19Å; N331-T354 PolarHBondContact O-OG1 2.99Å
332R93.6Very high86.7Confident112 Ų11261.5 Ų61.542%0.42337%0.368SS..EExtended strand (participates in β ladder)trans-121.6116.7-177.4-173.9-177.1-64.7-87.92.3110.5R329 I334 T354 C356R329-R332 PolarHBondContact N-O 2.79Å; R329-R332 PolarHBondContact O-N 2.97Å; R329-R332 VanDerWaalsContact O-N 3.12Å; R332-I334 HydrophobicContact CG-CD1 3.76Å; R332-T354 CarbonylContact C-O 3.58Å; R332-T354 WeakPolarHBondContact CA-O 3.1Å; R332-C356 HydrophobicContact CG-CB 4.33Å
333W95.4Very high88.2Confident48 Ų4865.4 Ų65.418%0.18238%0.376CS..EExtended strand (participates in β ladder)trans-71.4127.1167.2-71.998.4000109.4L328 I346 T354 V355 C356L328-W333 HydrophobicContact CB-CD2 4.03Å; L328-W333 HydrophobicContact CB-CE3 3.93Å; L328-W333 HydrophobicContact CB-CH2 4.01Å; L328-W333 HydrophobicContact CB-CZ2 4.1Å; L328-W333 HydrophobicContact CB-CZ3 3.93Å; L328-W333 HydrophobicContact CD1-CD2 4.03Å; L328-W333 HydrophobicContact CD1-CG 4.03Å; L328-W333 HydrophobicContact CD2-CZ2 4.12Å; L328-W333 HydrophobicContact CG-CZ2 4.48Å; W333-I346 HydrophobicContact CB-CD1 4.08Å; W333-I346 HydrophobicContact CD2-CG2 3.73Å; W333-I346 HydrophobicContact CE3-CG1 4.47Å; W333-I346 HydrophobicContact CE3-CG2 4.29Å; W333-I346 HydrophobicContact CG-CD1 4.36Å; W333-I346 HydrophobicContact CG-CG2 3.89Å; W333-I346 HydrophobicContact CZ2-CG2 4.26Å; W333-T354 PolarHBondContact N-O 3.17Å; W333-V355 HydrophobicContact CB-CB 4.35Å; W333-V355 HydrophobicContact CB-CG1 4.23Å; W333-V355 HydrophobicContact CB-CG2 4.02Å; W333-V355 HydrophobicContact CG-CG2 4.4Å; W333-V355 CarbonylContact O-C 3.49Å; W333-C356 PolarHBondContact O-N 3.4Å
334I94.6Very high89Confident20 Ų2061.6 Ų61.610%0.10334%0.342CS..EExtended strand (participates in β ladder)trans-108.6124.6175.8-54.5-59.7000107.6L326 E327 R329 R332 E336 C356L326-I334 VanDerWaalsContact CA-O 3.28Å; L326-I334 WeakPolarHBondContact CA-O 3.07Å; E327-I334 PolarHBondContact N-O 3.15Å; E327-I334 VanDerWaalsContact N-O 3.1Å; E327-I334 PolarHBondContact O-N 3.27Å; R329-I334 HydrophobicContact CB-CG1 4.37Å; R329-I334 HydrophobicContact CG-CG1 4.09Å; R332-I334 HydrophobicContact CG-CD1 3.76Å; I334-E336 HydrophobicContact CG2-CB 4.19Å; I334-E336 HydrophobicContact CG2-CG 3.91Å; I334-C356 HydrophobicContact CD1-CB 4.04Å
335V94.2Very high89.5Confident0 Ų064.5 Ų64.50%035%0.346CS..EExtended strand (participates in β ladder)trans-122.999.1173.6-167.90000106.9C325 L326 F338 L344 I346 V355 C356 I357 H358 V365C325-V335 CarbonylContact O-C 3.54Å; C325-V335 WeakPolarHBondContact O-CA 3.3Å; L326-V335 HydrophobicContact CD1-CB 4.44Å; L326-V335 HydrophobicContact CD1-CG1 4.41Å; L326-V335 HydrophobicContact CD1-CG2 3.66Å; V335-F338 HydrophobicContact CG1-CD2 3.63Å; V335-F338 HydrophobicContact CG1-CE2 3.74Å; V335-L344 HydrophobicContact CG1-CD1 3.75Å; V335-I346 HydrophobicContact CG2-CD1 3.59Å; V335-V355 HydrophobicContact CG2-CG1 4.27Å; V335-C356 PolarHBondContact N-O 3.42Å; V335-I357 HydrophobicContact CB-CB 4.47Å; V335-I357 HydrophobicContact CB-CG1 4.21Å; V335-I357 HydrophobicContact CB-CG2 4.35Å; V335-I357 HydrophobicContact CG1-CG2 4.49Å; V335-I357 HydrophobicContact CG2-CG1 4.28Å; V335-I357 CarbonylContact O-C 3.58Å; V335-I357 VanDerWaalsContact O-CA 3.3Å; V335-I357 WeakPolarHBondContact O-CA 3.43Å; V335-H358 PolarHBondContact O-N 3.22Å; V335-V365 HydrophobicContact CG1-CG2 4.32Å
336E93.6Very high89.7Confident43 Ų4363.5 Ų63.520%0.20134%0.339CS..EExtended strand (participates in β ladder)trans-130.7146.6-172.465.8-175161.100113.9G324 C325 R329 I334 F338 H358G324-E336 CarbonylContact C-O 3.5Å; G324-E336 VanDerWaalsContact CA-O 3.28Å; G324-E336 WeakPolarHBondContact CA-O 3.4Å; C325-E336 HydrophobicContact CB-CG 3.53Å; C325-E336 PolarHBondContact N-O 3.44Å; C325-E336 PolarHBondContact O-N 3.15Å; C325-E336 PolarHBondContact SG-OE1 3.27Å; R329-E336 IonicContact NH2-OE1 3.67Å; R329-E336 PolarHBondContact NH2-OE1 2.94Å; I334-E336 HydrophobicContact CG2-CB 4.19Å; I334-E336 HydrophobicContact CG2-CG 3.91Å; E336-F338 PolarHBondContact O-N 3.18Å; E336-H358 VanDerWaalsContact CA-O 3.22Å; E336-H358 WeakPolarHBondContact CA-O 3.23Å; E336-H358 HydrophobicContact CB-CB 4.39Å
337N91.6Very high89.4Confident53 Ų5364.1 Ų64.128%0.28335%0.345SS..SBendtrans58.325.9172-52.7-58.1000115.5H358N337-H358 PolarHBondContact N-O 3.08Å; N337-H358 VanDerWaalsContact N-O 3.14Å
338F90.7Very high88.6Confident35 Ų3560.4 Ų60.415%0.15433%0.329CS..  trans-75.6137.2171.3-73.5-81.1000111.1C325 L326 V335 E336 A341 L344 C360 N361 C363C325-F338 WeakPolarHBondContact O-CE2 3.34Å; L326-F338 HydrophobicContact CB-CE2 3.91Å; L326-F338 HydrophobicContact CB-CZ 3.71Å; V335-F338 HydrophobicContact CG1-CD2 3.63Å; V335-F338 HydrophobicContact CG1-CE2 3.74Å; E336-F338 PolarHBondContact O-N 3.18Å; F338-A341 HydrophobicContact CB-CB 4.03Å; F338-A341 HydrophobicContact CD1-CB 3.96Å; F338-A341 HydrophobicContact CG-CB 4.29Å; F338-L344 HydrophobicContact CB-CD1 3.94Å; F338-L344 HydrophobicContact CD1-CD1 4.08Å; F338-L344 HydrophobicContact CD1-CD2 3.88Å; F338-L344 HydrophobicContact CD2-CD1 3.61Å; F338-L344 HydrophobicContact CD2-CD2 4.37Å; F338-L344 HydrophobicContact CE1-CD2 3.68Å; F338-L344 HydrophobicContact CE2-CD1 4.08Å; F338-L344 HydrophobicContact CE2-CD2 4.16Å; F338-L344 HydrophobicContact CG-CD1 3.6Å; F338-L344 HydrophobicContact CG-CD2 4.23Å; F338-L344 HydrophobicContact CZ-CD2 3.83Å; F338-C360 CarbonylContact O-C 3.59Å; F338-C360 WeakPolarHBondContact O-CA 3.48Å; F338-N361 PolarHBondContact O-N 3.25Å; F338-C363 WeakPolarHBondContact CB-SG 3.36Å; F338-C363 PolarHBondContact O-SG 3.39Å
339Q89.4Confident87.4Confident112 Ų11262.6 Ų62.652%0.52335%0.345SS..BIsolated β-bridgetrans-121.5127.9171.7-66.5-179.6900108.3S321 A341 N361S321-Q339 PolarHBondContact OG-NE2 3.41Å; Q339-A341 VanDerWaalsContact C-N 3.26Å; Q339-A341 PolarHBondContact O-N 2.96Å; Q339-N361 CarbonylContact C-O 3.59Å; Q339-N361 WeakPolarHBondContact CA-O 3.42Å
340S86.6Confident87.1Confident84 Ų8460.9 Ų60.959%0.58734%0.343SS*.SBendtrans54.636.9175.6-51.70000114G342 N361 E362S340-G342 PolarHBondContact O-N 3.29Å; S340-N361 PolarHBondContact N-O 3.11Å; S340-E362 CarbonylContact C-O 3.58Å; S340-E362 VanDerWaalsContact CA-O 3.3Å; S340-E362 WeakPolarHBondContact CA-O 3.35Å; S340-E362 PolarHBondContact OG-OE2 3.33Å
341A81.5Confident87.1Confident21 Ų2161.5 Ų61.517%0.17433%0.334CS..  trans-9398178.700000111.1F338 Q339 N343 L344 C363 T364F338-A341 HydrophobicContact CB-CB 4.03Å; F338-A341 HydrophobicContact CD1-CB 3.96Å; F338-A341 HydrophobicContact CG-CB 4.29Å; Q339-A341 VanDerWaalsContact C-N 3.26Å; Q339-A341 PolarHBondContact O-N 2.96Å; A341-N343 VanDerWaalsContact C-N 3.34Å; A341-N343 PolarHBondContact O-N 3.14Å; A341-L344 HydrophobicContact CB-CD1 3.91Å; A341-L344 HydrophobicContact CB-CD2 4.04Å; A341-L344 HydrophobicContact CB-CG 3.85Å; A341-C363 HydrophobicContact CB-CB 4.5Å; A341-C363 CarbonylContact O-C 3.52Å; A341-C363 WeakPolarHBondContact O-CA 3.49Å; A341-T364 PolarHBondContact O-N 2.91Å
342G78.6Confident87.1Confident44 Ų4464.4 Ų64.445%0.45434%0.343SS..SBendtrans-73.7-12.6-173.700000116.6S340 T364S340-G342 PolarHBondContact O-N 3.29Å; G342-T364 WeakPolarHBondContact O-CB 3.42Å
343N81.6Confident87.1Confident138 Ų13859.4 Ų59.474%0.73832%0.324SS*.  trans-14870.3-174.7-72.1-56.3000112A341A341-N343 VanDerWaalsContact C-N 3.34Å; A341-N343 PolarHBondContact O-N 3.14Å
344L89Confident87.1Confident16 Ų1657.9 Ų57.98%0.08432%0.32CS..EExtended strand (participates in β ladder)trans-89.5105.7171.1-63.7173.1000108.8V335 F338 A341 C363 T364 V365 Q366V335-L344 HydrophobicContact CG1-CD1 3.75Å; F338-L344 HydrophobicContact CB-CD1 3.94Å; F338-L344 HydrophobicContact CD1-CD1 4.08Å; F338-L344 HydrophobicContact CD1-CD2 3.88Å; F338-L344 HydrophobicContact CD2-CD1 3.61Å; F338-L344 HydrophobicContact CD2-CD2 4.37Å; F338-L344 HydrophobicContact CE1-CD2 3.68Å; F338-L344 HydrophobicContact CE2-CD1 4.08Å; F338-L344 HydrophobicContact CE2-CD2 4.16Å; F338-L344 HydrophobicContact CG-CD1 3.6Å; F338-L344 HydrophobicContact CG-CD2 4.23Å; F338-L344 HydrophobicContact CZ-CD2 3.83Å; A341-L344 HydrophobicContact CB-CD1 3.91Å; A341-L344 HydrophobicContact CB-CD2 4.04Å; A341-L344 HydrophobicContact CB-CG 3.85Å; L344-C363 HydrophobicContact CD1-CB 4.37Å; L344-T364 PolarHBondContact N-O 3.19Å; L344-V365 HydrophobicContact CB-CG2 4.23Å; L344-V365 HydrophobicContact CD1-CG2 4.12Å; L344-V365 CarbonylContact O-C 3.59Å; L344-V365 VanDerWaalsContact O-CA 3.3Å; L344-V365 WeakPolarHBondContact O-CA 3.19Å; L344-Q366 PolarHBondContact O-N 3.07Å
345Q90.2Very high87.2Confident97 Ų9756.9 Ų56.945%0.45332%0.315SS..EExtended strand (participates in β ladder)trans-105.2124.1-178.3-166.1-177.8-40.100111.1V347 Q366Q345-V347 HydrophobicContact CG-CG2 4.33Å; Q345-V347 VanDerWaalsContact NE2-CG2 3.29Å; Q345-Q366 CarbonylContact C-O 3.58Å; Q345-Q366 WeakPolarHBondContact CA-O 3.34Å; Q345-Q366 HydrophobicContact CG-CB 4.38Å
346I89.5Confident87.3Confident2 Ų258.1 Ų58.11%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-107.5115.1168.4-63.4168.8000106.9L326 W333 V335 A348 V355 V365 Q366 I367 K368L326-I346 HydrophobicContact CD1-CD1 4.1Å; L326-I346 HydrophobicContact CD1-CG1 3.93Å; W333-I346 HydrophobicContact CB-CD1 4.08Å; W333-I346 HydrophobicContact CD2-CG2 3.73Å; W333-I346 HydrophobicContact CE3-CG1 4.47Å; W333-I346 HydrophobicContact CE3-CG2 4.29Å; W333-I346 HydrophobicContact CG-CD1 4.36Å; W333-I346 HydrophobicContact CG-CG2 3.89Å; W333-I346 HydrophobicContact CZ2-CG2 4.26Å; V335-I346 HydrophobicContact CG2-CD1 3.59Å; I346-A348 HydrophobicContact CG2-CB 4.21Å; I346-A348 PolarHBondContact O-N 3.03Å; I346-V355 HydrophobicContact CD1-CG1 3.71Å; I346-V355 HydrophobicContact CD1-CG2 4.31Å; I346-V365 HydrophobicContact CD1-CG1 4.29Å; I346-Q366 PolarHBondContact N-O 3.45Å; I346-I367 HydrophobicContact CB-CG1 4.33Å; I346-I367 HydrophobicContact CD1-CG1 4.32Å; I346-I367 CarbonylContact O-C 3.59Å; I346-I367 WeakPolarHBondContact O-CA 3.44Å; I346-K368 PolarHBondContact O-N 2.75Å
347V85.9Confident87.4Confident83 Ų8356.1 Ų56.150%0.50331%0.314SS..EExtended strand (participates in β ladder)trans-93.595.4167.3-177.40000106.5Q345Q345-V347 HydrophobicContact CG-CG2 4.33Å; Q345-V347 VanDerWaalsContact NE2-CG2 3.29Å
348A73.7Confident87.7Confident6 Ų655.7 Ų55.75%0.0531%0.31CS..  trans-86.4119.6-179.300000109.8I346 K368 I371I346-A348 HydrophobicContact CG2-CB 4.21Å; I346-A348 PolarHBondContact O-N 3.03Å; A348-K368 PolarHBondContact N-O 3.42Å; A348-I371 HydrophobicContact CB-CG2 3.23Å
349T66.2Low87.9Confident116 Ų11658.8 Ų58.871%0.71232%0.324SS*.  trans-94.1-16.6-176.150.10000113.4
350E83.5Confident88.1Confident95 Ų9553.5 Ų53.544%0.44430%0.299SS..  trans-122.6132.4-171.5-65.3179.5-160.300113.1K352 Q353E350-K352 PolarHBondContact O-N 3Å; E350-K352 VanDerWaalsContact O-N 3.14Å; E350-Q353 HydrophobicContact CB-CG 3.95Å; E350-Q353 WeakPolarHBondContact O-CB 3.3Å; E350-Q353 PolarHBondContact O-N 3.35Å; E350-Q353 VanDerWaalsContact O-N 3.08Å
351T88.7Confident88.5Confident74 Ų7452.6 Ų52.645%0.45429%0.287SS..THydrogen-bonded Turntrans-64.5-18.7-179.254.20000114.6K370 N372 I390T351-K370 WeakPolarHBondContact CA-O 3.43Å; T351-K370 HydrophobicContact CG2-CB 4.34Å; T351-K370 HydrophobicContact CG2-CD 4.28Å; T351-K370 HydrophobicContact CG2-CG 4.15Å; T351-N372 WeakPolarHBondContact O-CB 3.47Å; T351-N372 PolarHBondContact O-N 2.85Å; T351-I390 HydrophobicContact CG2-CD1 4.48Å
352K91.1Very high89.1Confident154 Ų15455.8 Ų55.867%0.6730%0.299SS*.THydrogen-bonded Turntrans-85.1-11.2177.8-65.4-175.8179.5-178.60113.2E350E350-K352 PolarHBondContact O-N 3Å; E350-K352 VanDerWaalsContact O-N 3.14Å
353Q93.1Very high89.8Confident7 Ų753.7 Ų53.73%0.03328%0.277CS..  trans-72.5149.3-177.9-71.3173.61.300111.1N331 E350 N372N331-Q353 CarbonylContact O-C 3.56Å; N331-Q353 VanDerWaalsContact O-CA 3.25Å; N331-Q353 WeakPolarHBondContact O-CA 3.37Å; E350-Q353 HydrophobicContact CB-CG 3.95Å; E350-Q353 WeakPolarHBondContact O-CB 3.3Å; E350-Q353 PolarHBondContact O-N 3.35Å; E350-Q353 VanDerWaalsContact O-N 3.08Å; Q353-N372 WeakPolarHBondContact O-CB 3.37Å; Q353-N372 PolarHBondContact O-N 3.16Å
354T95.5Very high90.4Very high15 Ų1549.5 Ų49.59%0.09226%0.257CS..EExtended strand (participates in β ladder)trans-124154.417555.60000109.4N331 R332 W333 N372 S373N331-T354 PolarHBondContact O-N 3.19Å; N331-T354 PolarHBondContact O-OG1 2.99Å; R332-T354 CarbonylContact C-O 3.58Å; R332-T354 WeakPolarHBondContact CA-O 3.1Å; W333-T354 PolarHBondContact N-O 3.17Å; T354-N372 HydrophobicContact CG2-CB 3.98Å; T354-S373 WeakPolarHBondContact CA-O 3.34Å; T354-S373 WeakPolarHBondContact CG2-OG 3.38Å
355V96.8Very high90.7Very high0 Ų048.8 Ų48.80%025%0.253CS..EExtended strand (participates in β ladder)trans-118.9134.1177.8-176.10000109.5W333 V335 I346 I357 I367 I371 S373 I374 M375W333-V355 HydrophobicContact CB-CB 4.35Å; W333-V355 HydrophobicContact CB-CG1 4.23Å; W333-V355 HydrophobicContact CB-CG2 4.02Å; W333-V355 HydrophobicContact CG-CG2 4.4Å; W333-V355 CarbonylContact O-C 3.49Å; V335-V355 HydrophobicContact CG2-CG1 4.27Å; I346-V355 HydrophobicContact CD1-CG1 3.71Å; I346-V355 HydrophobicContact CD1-CG2 4.31Å; V355-I357 HydrophobicContact CG1-CD1 4.44Å; V355-I357 HydrophobicContact CG1-CG1 3.97Å; V355-I367 HydrophobicContact CB-CD1 4.1Å; V355-I367 HydrophobicContact CG1-CD1 3.91Å; V355-I367 HydrophobicContact CG2-CD1 4Å; V355-I367 HydrophobicContact CG2-CG1 4.38Å; V355-I367 HydrophobicContact CG2-CG2 4.21Å; V355-I371 HydrophobicContact CB-CD1 4.42Å; V355-I371 HydrophobicContact CG2-CD1 3.67Å; V355-S373 PolarHBondContact N-O 2.85Å; V355-I374 HydrophobicContact CB-CG1 4.31Å; V355-I374 CarbonylContact O-C 3.56Å; V355-I374 WeakPolarHBondContact O-CA 3.4Å; V355-M375 PolarHBondContact O-N 3.47Å
356C96.3Very high90.9Very high26 Ų2647.2 Ų47.218%0.17625%0.246CC..EExtended strand (participates in β ladder)trans-122.9116.6175.1-172.30000109R332 W333 I334 V335 M375R332-C356 HydrophobicContact CG-CB 4.33Å; W333-C356 PolarHBondContact O-N 3.4Å; I334-C356 HydrophobicContact CD1-CB 4.04Å; V335-C356 PolarHBondContact N-O 3.42Å; C356-M375 CarbonylContact C-O 3.56Å; C356-M375 WeakPolarHBondContact CA-O 3.49Å
357I96.8Very high91.2Very high0 Ų047.1 Ų47.10%025%0.245CC..EExtended strand (participates in β ladder)trans-109.8112.5-180-51.4170.7000107.1V335 V355 C360 V365 I374 M375 M376 D377 V384V335-I357 HydrophobicContact CB-CB 4.47Å; V335-I357 HydrophobicContact CB-CG1 4.21Å; V335-I357 HydrophobicContact CB-CG2 4.35Å; V335-I357 HydrophobicContact CG1-CG2 4.49Å; V335-I357 HydrophobicContact CG2-CG1 4.28Å; V335-I357 CarbonylContact O-C 3.58Å; V335-I357 VanDerWaalsContact O-CA 3.3Å; V335-I357 WeakPolarHBondContact O-CA 3.43Å; V355-I357 HydrophobicContact CG1-CD1 4.44Å; V355-I357 HydrophobicContact CG1-CG1 3.97Å; I357-C360 HydrophobicContact CG2-CB 4.05Å; I357-V365 HydrophobicContact CD1-CB 4.02Å; I357-V365 HydrophobicContact CD1-CG1 4Å; I357-V365 HydrophobicContact CD1-CG2 4.03Å; I357-V365 HydrophobicContact CG2-CG2 4.3Å; I357-I374 HydrophobicContact CD1-CG2 4.36Å; I357-M375 PolarHBondContact N-O 3.24Å; I357-M376 HydrophobicContact CB-CG 4.46Å; I357-M376 CarbonylContact O-C 3.56Å; I357-M376 WeakPolarHBondContact O-CA 3.49Å; I357-D377 PolarHBondContact O-N 3.11Å; I357-V384 HydrophobicContact CD1-CB 4.4Å; I357-V384 HydrophobicContact CD1-CG1 3.94Å; I357-V384 HydrophobicContact CD1-CG2 3.5Å
358H96.7Very high91.6Very high44 Ų4447.6 Ų47.620%0.20424%0.241CC..EExtended strand (participates in β ladder)trans-127.6132.8-172.9-17473.8000111.8V335 E336 N337 C360 D377V335-H358 PolarHBondContact O-N 3.22Å; E336-H358 VanDerWaalsContact CA-O 3.22Å; E336-H358 WeakPolarHBondContact CA-O 3.23Å; E336-H358 HydrophobicContact CB-CB 4.39Å; N337-H358 PolarHBondContact N-O 3.08Å; N337-H358 VanDerWaalsContact N-O 3.14Å; H358-C360 PolarHBondContact O-N 3.37Å; H358-C360 VanDerWaalsContact O-N 3.12Å; H358-D377 VanDerWaalsContact CA-O 3.31Å; H358-D377 WeakPolarHBondContact CA-O 3.35Å; H358-D377 IonicContact CE1-OD2 3.5Å; H358-D377 PolarHBondContact CE1-OD2 2.85Å; H358-D377 IonicContact ND1-OD2 2.77Å; H358-D377 PolarHBondContact ND1-OD2 2.93Å
359K94.6Very high92.5Very high101 Ų10148.5 Ų48.544%0.43925%0.251SS..SBendtrans5334.8175.6-70.9173.8-178.2162.70114.5D377 N378K359-D377 PolarHBondContact N-O 2.85Å; K359-N378 WeakPolarHBondContact CA-O 3.37Å; K359-N378 HydrophobicContact CG-CB 4.17Å
360C94.6Very high93.9Very high1 Ų147.5 Ų47.51%0.00724%0.236CC..  trans-88.1137.5173.2-65.90000110.1F338 I357 H358 C363 C379 K380 T382F338-C360 CarbonylContact O-C 3.59Å; F338-C360 WeakPolarHBondContact O-CA 3.48Å; I357-C360 HydrophobicContact CG2-CB 4.05Å; H358-C360 PolarHBondContact O-N 3.37Å; H358-C360 VanDerWaalsContact O-N 3.12Å; C360-C363 HydrophobicContact CB-CB 4.15Å; C360-C379 PolarHBondContact N-SG 2.94Å; C360-C379 VanDerWaalsContact N-SG 3.41Å; C360-C379 CarbonylContact O-C 3.54Å; C360-C379 WeakPolarHBondContact O-CA 3.5Å; C360-C379 WeakPolarHBondContact O-CB 3.24Å; C360-K380 PolarHBondContact O-N 2.95Å; C360-T382 HydrophobicContact CB-CG2 4.33Å; C360-T382 PolarHBondContact O-OG1 3.25Å
361N94.1Very high94.4Very high64 Ų6443 Ų4334%0.34222%0.215SC..BIsolated β-bridgetrans-128.3130.8179.5-167-3.5000110.7F338 Q339 S340 C363 K380F338-N361 PolarHBondContact O-N 3.25Å; Q339-N361 CarbonylContact C-O 3.59Å; Q339-N361 WeakPolarHBondContact CA-O 3.42Å; S340-N361 PolarHBondContact N-O 3.11Å; N361-C363 PolarHBondContact O-N 3.32Å; N361-C363 PolarHBondContact O-SG 3.2Å; N361-K380 CarbonylContact C-O 3.55Å; N361-K380 VanDerWaalsContact CA-O 3.29Å; N361-K380 WeakPolarHBondContact CA-O 3.44Å; N361-K380 PolarHBondContact OD1-O 3.22Å
362E94Very high94.7Very high88 Ų8842.3 Ų42.341%0.41121%0.209SC..SBendtrans54.140-178.6-67.4179.2177.800112.8S340 K380 K381S340-E362 CarbonylContact C-O 3.58Å; S340-E362 VanDerWaalsContact CA-O 3.3Å; S340-E362 WeakPolarHBondContact CA-O 3.35Å; S340-E362 PolarHBondContact OG-OE2 3.33Å; E362-K380 PolarHBondContact N-O 3.39Å; E362-K381 WeakPolarHBondContact CA-O 3.35Å; E362-K381 HydrophobicContact CG-CB 3.82Å; E362-K381 HydrophobicContact CG-CD 3.67Å; E362-K381 HydrophobicContact CG-CG 4.43Å; E362-K381 WeakPolarHBondContact OE1-CD 3.47Å; E362-K381 IonicContact OE1-NZ 2.89Å; E362-K381 PolarHBondContact OE1-NZ 3.05Å
363C93.6Very high95Very high1 Ų136 Ų361%0.00718%0.184CC..  trans-108.5156.9-176.8-65.10000112.3F338 A341 L344 C360 N361 T382 G383F338-C363 WeakPolarHBondContact CB-SG 3.36Å; F338-C363 PolarHBondContact O-SG 3.39Å; A341-C363 HydrophobicContact CB-CB 4.5Å; A341-C363 CarbonylContact O-C 3.52Å; A341-C363 WeakPolarHBondContact O-CA 3.49Å; L344-C363 HydrophobicContact CD1-CB 4.37Å; C360-C363 HydrophobicContact CB-CB 4.15Å; N361-C363 PolarHBondContact O-N 3.32Å; N361-C363 PolarHBondContact O-SG 3.2Å; C363-T382 HydrophobicContact CB-CG2 3.96Å; C363-T382 PolarHBondContact N-OG1 3.07Å; C363-T382 CarbonylContact O-C 3.56Å; C363-T382 WeakPolarHBondContact O-CA 3.37Å; C363-T382 WeakPolarHBondContact O-CG2 3.49Å; C363-G383 PolarHBondContact O-N 3.48Å
364T94Very high95.2Very high50 Ų5035.7 Ų35.731%0.30718%0.183SC..EExtended strand (participates in β ladder)trans-125.3121.1165.6-60.40000109.3A341 G342 L344 G383A341-T364 PolarHBondContact O-N 2.91Å; G342-T364 WeakPolarHBondContact O-CB 3.42Å; L344-T364 PolarHBondContact N-O 3.19Å; T364-G383 CarbonylContact C-O 3.51Å; T364-G383 WeakPolarHBondContact CA-O 3.34Å
365V95.4Very high95.3Very high0 Ų037.3 Ų37.30%019%0.19CC..EExtended strand (participates in β ladder)trans-108.8119.6-179.9-171.80000109.1V335 L344 I346 I357 I367 G383 V384 V385V335-V365 HydrophobicContact CG1-CG2 4.32Å; L344-V365 HydrophobicContact CB-CG2 4.23Å; L344-V365 HydrophobicContact CD1-CG2 4.12Å; L344-V365 CarbonylContact O-C 3.59Å; L344-V365 VanDerWaalsContact O-CA 3.3Å; L344-V365 WeakPolarHBondContact O-CA 3.19Å; I346-V365 HydrophobicContact CD1-CG1 4.29Å; I357-V365 HydrophobicContact CD1-CB 4.02Å; I357-V365 HydrophobicContact CD1-CG1 4Å; I357-V365 HydrophobicContact CD1-CG2 4.03Å; I357-V365 HydrophobicContact CG2-CG2 4.3Å; V365-I367 HydrophobicContact CG1-CD1 4.37Å; V365-I367 HydrophobicContact CG1-CG1 4.07Å; V365-G383 PolarHBondContact N-O 2.74Å; V365-V384 CarbonylContact O-C 3.56Å; V365-V384 WeakPolarHBondContact O-CA 3.43Å; V365-V385 PolarHBondContact O-N 2.77Å
366Q94.9Very high95.3Very high64 Ų6437.3 Ų37.330%0.29919%0.19SC..EExtended strand (participates in β ladder)trans-107120.6175.9-65.8-175.12.700109.8L344 Q345 I346 V385L344-Q366 PolarHBondContact O-N 3.07Å; Q345-Q366 CarbonylContact C-O 3.58Å; Q345-Q366 WeakPolarHBondContact CA-O 3.34Å; Q345-Q366 HydrophobicContact CG-CB 4.38Å; I346-Q366 PolarHBondContact N-O 3.45Å; Q366-V385 CarbonylContact C-O 3.55Å; Q366-V385 WeakPolarHBondContact CA-O 3.28Å; Q366-V385 HydrophobicContact CG-CB 4.46Å
367I95.8Very high95.3Very high1 Ų138 Ų381%0.00519%0.191CC..EExtended strand (participates in β ladder)trans-115104.1-178-57.3159.6000108.3I346 V355 V365 I371 I374 V384 V385 F386 D387I346-I367 HydrophobicContact CB-CG1 4.33Å; I346-I367 HydrophobicContact CD1-CG1 4.32Å; I346-I367 CarbonylContact O-C 3.59Å; I346-I367 WeakPolarHBondContact O-CA 3.44Å; V355-I367 HydrophobicContact CB-CD1 4.1Å; V355-I367 HydrophobicContact CG1-CD1 3.91Å; V355-I367 HydrophobicContact CG2-CD1 4Å; V355-I367 HydrophobicContact CG2-CG1 4.38Å; V355-I367 HydrophobicContact CG2-CG2 4.21Å; V365-I367 HydrophobicContact CG1-CD1 4.37Å; V365-I367 HydrophobicContact CG1-CG1 4.07Å; I367-I371 HydrophobicContact CG2-CD1 3.76Å; I367-I371 HydrophobicContact CG2-CG1 4.42Å; I367-I371 HydrophobicContact CG2-CG2 4.47Å; I367-I374 HydrophobicContact CD1-CD1 3.56Å; I367-I374 HydrophobicContact CD1-CG1 3.95Å; I367-I374 HydrophobicContact CD1-CG2 4.41Å; I367-V384 HydrophobicContact CD1-CG1 3.93Å; I367-V385 PolarHBondContact N-O 3.41Å; I367-F386 HydrophobicContact CB-CB 3.95Å; I367-F386 VanDerWaalsContact O-CA 3.26Å; I367-F386 WeakPolarHBondContact O-CA 3.42Å; I367-D387 PolarHBondContact O-N 3.44Å
368K94.4Very high95.4Very high93 Ų9340.4 Ų40.440%0.40421%0.205SC..EExtended strand (participates in β ladder)trans-90.2142.5178.8-63.3-170.7177.2178.70110.9I346 A348 D387I346-K368 PolarHBondContact O-N 2.75Å; A348-K368 PolarHBondContact N-O 3.42Å; K368-D387 WeakPolarHBondContact CA-OD2 3.47Å
369G93.1Very high95.4Very high25 Ų2538.3 Ų38.326%0.25820%0.195SC..EExtended strand (participates in β ladder)trans97.8-171.6179.100000114.3D387 H388G369-D387 PolarHBondContact N-OD2 3.06Å; G369-H388 PolarHBondContact O-N 3.28Å
370K94.3Very high95.4Very high95 Ų9537.4 Ų37.441%0.41319%0.191SC..EExtended strand (participates in β ladder)trans-103.8121.1-179.3-177.9169.9-177.5164.90110.3T351 H388 I390T351-K370 WeakPolarHBondContact CA-O 3.43Å; T351-K370 HydrophobicContact CG2-CB 4.34Å; T351-K370 HydrophobicContact CG2-CD 4.28Å; T351-K370 HydrophobicContact CG2-CG 4.15Å; K370-H388 WeakPolarHBondContact CA-O 3.21Å; K370-H388 HydrophobicContact CB-CB 4.03Å; K370-H388 HydrophobicContact CD-CB 4.36Å; K370-H388 HydrophobicContact CG-CB 3.91Å; K370-I390 HydrophobicContact CD-CG1 4.45Å; K370-I390 VanDerWaalsContact CE-CG1 3.47Å; K370-I390 HydrophobicContact CG-CD1 4.32Å; K370-I390 HydrophobicContact CG-CG1 4.16Å
371I95.2Very high95.5Very high1 Ų143.3 Ų43.31%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-126.7167.4-178.459.6163.3000112.4A348 V355 I367 I374 H388 L389 I390A348-I371 HydrophobicContact CB-CG2 3.23Å; V355-I371 HydrophobicContact CB-CD1 4.42Å; V355-I371 HydrophobicContact CG2-CD1 3.67Å; I367-I371 HydrophobicContact CG2-CD1 3.76Å; I367-I371 HydrophobicContact CG2-CG1 4.42Å; I367-I371 HydrophobicContact CG2-CG2 4.47Å; I371-I374 HydrophobicContact CD1-CD1 3.89Å; I371-I374 HydrophobicContact CD1-CG1 3.38Å; I371-I374 HydrophobicContact CG1-CG1 4.49Å; I371-H388 PolarHBondContact N-O 2.9Å; I371-L389 WeakPolarHBondContact O-CA 3.2Å; I371-I390 WeakPolarHBondContact O-CG1 3.27Å; I371-I390 PolarHBondContact O-N 2.98Å
372N95.3Very high95.6Very high58 Ų5840.3 Ų40.331%0.3120%0.2SC..SBendtrans-74-58.8-176.8-173.238.3000112.2T351 Q353 T354 I390 S391T351-N372 WeakPolarHBondContact O-CB 3.47Å; T351-N372 PolarHBondContact O-N 2.85Å; Q353-N372 WeakPolarHBondContact O-CB 3.37Å; Q353-N372 PolarHBondContact O-N 3.16Å; T354-N372 HydrophobicContact CG2-CB 3.98Å; N372-I390 PolarHBondContact O-N 2.67Å; N372-S391 PolarHBondContact O-N 3.3Å; N372-S391 PolarHBondContact O-OG 2.89Å
373S95.8Very high95.7Very high22 Ų2236.8 Ų36.815%0.15419%0.188CC..EExtended strand (participates in β ladder)trans-151.4158-177.770.80000112.9T354 V355 S391 S392T354-S373 WeakPolarHBondContact CA-O 3.34Å; T354-S373 WeakPolarHBondContact CG2-OG 3.38Å; V355-S373 PolarHBondContact N-O 2.85Å; S373-S391 VanDerWaalsContact CB-OG 3.27Å; S373-S391 WeakPolarHBondContact CB-OG 3.38Å; S373-S392 WeakPolarHBondContact CA-O 3.34Å; S373-S392 WeakPolarHBondContact CB-O 3.49Å
374I97.5Very high95.9Very high0 Ų036.8 Ų36.80%019%0.188CC..EExtended strand (participates in β ladder)trans-123.8131173.5-61.3168.2000108.1V355 I357 I367 I371 V384 F386 L389 S392 I393 D394V355-I374 HydrophobicContact CB-CG1 4.31Å; V355-I374 CarbonylContact O-C 3.56Å; V355-I374 WeakPolarHBondContact O-CA 3.4Å; I357-I374 HydrophobicContact CD1-CG2 4.36Å; I367-I374 HydrophobicContact CD1-CD1 3.56Å; I367-I374 HydrophobicContact CD1-CG1 3.95Å; I367-I374 HydrophobicContact CD1-CG2 4.41Å; I371-I374 HydrophobicContact CD1-CD1 3.89Å; I371-I374 HydrophobicContact CD1-CG1 3.38Å; I371-I374 HydrophobicContact CG1-CG1 4.49Å; I374-V384 HydrophobicContact CG2-CG1 4.44Å; I374-F386 HydrophobicContact CD1-CB 3.74Å; I374-F386 HydrophobicContact CD1-CD1 3.54Å; I374-F386 HydrophobicContact CD1-CD2 4.05Å; I374-F386 HydrophobicContact CD1-CE1 4.11Å; I374-F386 HydrophobicContact CD1-CG 3.5Å; I374-F386 VanDerWaalsContact CD1-CG 3.5Å; I374-L389 HydrophobicContact CB-CD1 3.98Å; I374-L389 HydrophobicContact CD1-CD1 3.64Å; I374-L389 HydrophobicContact CG1-CD1 3.61Å; I374-S392 PolarHBondContact N-O 2.9Å; I374-I393 HydrophobicContact CB-CB 4.4Å; I374-I393 HydrophobicContact CB-CD1 4.07Å; I374-I393 HydrophobicContact CB-CG1 3.96Å; I374-I393 HydrophobicContact CD1-CD1 4.31Å; I374-I393 HydrophobicContact CG2-CD1 3.91Å; I374-I393 HydrophobicContact CG2-CG1 4.08Å; I374-I393 CarbonylContact O-C 3.56Å; I374-I393 WeakPolarHBondContact O-CA 3.48Å; I374-D394 PolarHBondContact O-N 3.42Å
375M97.5Very high96Very high49 Ų4935.7 Ų35.724%0.24118%0.181CC..EExtended strand (participates in β ladder)trans-115.1128171.1-179.777.8-168.900108.7V355 C356 I357 D377 D394 V396V355-M375 PolarHBondContact O-N 3.47Å; C356-M375 CarbonylContact C-O 3.56Å; C356-M375 WeakPolarHBondContact CA-O 3.49Å; I357-M375 PolarHBondContact N-O 3.24Å; M375-D377 HydrophobicContact CE-CB 4.13Å; M375-D394 CarbonylContact C-O 3.55Å; M375-D394 HydrophobicContact SD-CB 3.5Å; M375-D394 VanDerWaalsContact SD-CB 3.5Å; M375-V396 HydrophobicContact CE-CB 3.75Å; M375-V396 HydrophobicContact CE-CG2 3.42Å; M375-V396 VanDerWaalsContact CE-CG2 3.42Å; M375-V396 HydrophobicContact SD-CG2 4.47Å
376M97.3Very high96.1Very high0 Ų035.8 Ų35.80%018%0.181CC..EExtended strand (participates in β ladder)trans-119119.1173.5-171.2178.7-17100108.6I357 C379 T382 V384 D394 V395 V396 V401I357-M376 HydrophobicContact CB-CG 4.46Å; I357-M376 CarbonylContact O-C 3.56Å; I357-M376 WeakPolarHBondContact O-CA 3.49Å; M376-C379 HydrophobicContact CE-CB 3.41Å; M376-C379 VanDerWaalsContact CE-CB 3.41Å; M376-C379 HydrophobicContact CG-CB 4.01Å; M376-T382 VanDerWaalsContact CE-CB 3.44Å; M376-T382 HydrophobicContact CE-CG2 3.47Å; M376-T382 VanDerWaalsContact CE-CG2 3.47Å; M376-V384 HydrophobicContact CE-CG2 4.1Å; M376-V384 HydrophobicContact SD-CG2 3.77Å; M376-D394 PolarHBondContact N-O 3.31Å; M376-V395 WeakPolarHBondContact O-CA 3.44Å; M376-V396 PolarHBondContact O-N 3.27Å; M376-V401 HydrophobicContact CE-CB 3.89Å; M376-V401 HydrophobicContact CE-CG1 3.43Å; M376-V401 VanDerWaalsContact CE-CG1 3.43Å; M376-V401 HydrophobicContact SD-CB 4.26Å; M376-V401 HydrophobicContact SD-CG1 4.22Å
377D97.7Very high96.1Very high40 Ų4034.9 Ų34.921%0.21418%0.179CC..EExtended strand (participates in β ladder)trans-132.9135.2-175.817837.5000112.1I357 H358 K359 M375 C379 V396I357-D377 PolarHBondContact O-N 3.11Å; H358-D377 VanDerWaalsContact CA-O 3.31Å; H358-D377 WeakPolarHBondContact CA-O 3.35Å; H358-D377 IonicContact CE1-OD2 3.5Å; H358-D377 PolarHBondContact CE1-OD2 2.85Å; H358-D377 IonicContact ND1-OD2 2.77Å; H358-D377 PolarHBondContact ND1-OD2 2.93Å; K359-D377 PolarHBondContact N-O 2.85Å; M375-D377 HydrophobicContact CE-CB 4.13Å; D377-C379 PolarHBondContact O-N 3.06Å; D377-C379 VanDerWaalsContact O-N 3.12Å; D377-C379 PolarHBondContact O-SG 3.32Å; D377-V396 VanDerWaalsContact CA-O 3.3Å; D377-V396 WeakPolarHBondContact CA-O 3.48Å
378N97Very high96Very high52 Ų5237.8 Ų37.828%0.27819%0.192SC..SBendtrans54.833.3173.8-158.213.1000114.1K359 V396 N397K359-N378 WeakPolarHBondContact CA-O 3.37Å; K359-N378 HydrophobicContact CG-CB 4.17Å; N378-V396 PolarHBondContact N-O 3.03Å; N378-V396 VanDerWaalsContact N-O 3.08Å; N378-N397 VanDerWaalsContact CA-O 3.25Å; N378-N397 WeakPolarHBondContact CA-O 3.43Å; N378-N397 PolarHBondContact OD1-ND2 3.11Å
379C96.8Very high96.1Very high0 Ų033.6 Ų33.60%017%0.174CC..  trans-99.4148.9-178.1-67.70000111.3C360 M376 D377 C398 Q399C360-C379 PolarHBondContact N-SG 2.94Å; C360-C379 VanDerWaalsContact N-SG 3.41Å; C360-C379 CarbonylContact O-C 3.54Å; C360-C379 WeakPolarHBondContact O-CA 3.5Å; C360-C379 WeakPolarHBondContact O-CB 3.24Å; M376-C379 HydrophobicContact CE-CB 3.41Å; M376-C379 VanDerWaalsContact CE-CB 3.41Å; M376-C379 HydrophobicContact CG-CB 4.01Å; D377-C379 PolarHBondContact O-N 3.06Å; D377-C379 VanDerWaalsContact O-N 3.12Å; D377-C379 PolarHBondContact O-SG 3.32Å; C379-C398 PolarHBondContact N-SG 3.38Å; C379-C398 VanDerWaalsContact N-SG 3.4Å; C379-C398 CarbonylContact O-C 3.6Å; C379-C398 VanDerWaalsContact O-CA 3.24Å; C379-C398 WeakPolarHBondContact O-CA 3.26Å; C379-C398 WeakPolarHBondContact O-CB 3.35Å; C379-Q399 PolarHBondContact O-N 3.22Å
380K96.3Very high96.2Very high82 Ų8236 Ų3636%0.35718%0.18SC..BIsolated β-bridgetrans-128.3139.7179.3-55.9-165-178.1-154.80111.2C360 N361 E362 T382 Q399C360-K380 PolarHBondContact O-N 2.95Å; N361-K380 CarbonylContact C-O 3.55Å; N361-K380 VanDerWaalsContact CA-O 3.29Å; N361-K380 WeakPolarHBondContact CA-O 3.44Å; N361-K380 PolarHBondContact OD1-O 3.22Å; E362-K380 PolarHBondContact N-O 3.39Å; K380-T382 PolarHBondContact O-N 3.21Å; K380-T382 PolarHBondContact O-OG1 3.33Å; K380-Q399 CarbonylContact C-O 3.57Å; K380-Q399 VanDerWaalsContact CA-O 3.26Å; K380-Q399 WeakPolarHBondContact CA-O 3.28Å; K380-Q399 HydrophobicContact CG-CB 4.21Å
381K96Very high96.1Very high124 Ų12433.6 Ų33.654%0.53918%0.175SC..SBendtrans47.434.5178-62-177.5-176.3177.30113.5E362 Q399 S400E362-K381 WeakPolarHBondContact CA-O 3.35Å; E362-K381 HydrophobicContact CG-CB 3.82Å; E362-K381 HydrophobicContact CG-CD 3.67Å; E362-K381 HydrophobicContact CG-CG 4.43Å; E362-K381 WeakPolarHBondContact OE1-CD 3.47Å; E362-K381 IonicContact OE1-NZ 2.89Å; E362-K381 PolarHBondContact OE1-NZ 3.05Å; K381-Q399 PolarHBondContact N-O 3.03Å; K381-S400 WeakPolarHBondContact CA-O 3.48Å; K381-S400 PolarHBondContact N-O 2.9Å
382T96.6Very high96.2Very high1 Ų134.5 Ų34.51%0.00618%0.182CC..  trans-110.6132.7-171.2-66.70000109.7C360 C363 M376 K380 V401 K402C360-T382 HydrophobicContact CB-CG2 4.33Å; C360-T382 PolarHBondContact O-OG1 3.25Å; C363-T382 HydrophobicContact CB-CG2 3.96Å; C363-T382 PolarHBondContact N-OG1 3.07Å; C363-T382 CarbonylContact O-C 3.56Å; C363-T382 WeakPolarHBondContact O-CA 3.37Å; C363-T382 WeakPolarHBondContact O-CG2 3.49Å; M376-T382 VanDerWaalsContact CE-CB 3.44Å; M376-T382 HydrophobicContact CE-CG2 3.47Å; M376-T382 VanDerWaalsContact CE-CG2 3.47Å; K380-T382 PolarHBondContact O-N 3.21Å; K380-T382 PolarHBondContact O-OG1 3.33Å; T382-V401 WeakPolarHBondContact O-CA 3.42Å; T382-V401 WeakPolarHBondContact O-CB 3.44Å; T382-K402 PolarHBondContact O-N 3.32Å
383G96.4Very high96.3Very high14 Ų1431.7 Ų31.714%0.14417%0.167CC..EExtended strand (participates in β ladder)trans-100.7138175.800000111.5C363 T364 V365 K402C363-G383 PolarHBondContact O-N 3.48Å; T364-G383 CarbonylContact C-O 3.51Å; T364-G383 WeakPolarHBondContact CA-O 3.34Å; V365-G383 PolarHBondContact N-O 2.74Å; G383-K402 CarbonylContact C-O 3.56Å; G383-K402 VanDerWaalsContact CA-O 3.27Å; G383-K402 WeakPolarHBondContact CA-O 3.14Å
384V97.1Very high96.4Very high1 Ų132.7 Ų32.71%0.00617%0.17CC..EExtended strand (participates in β ladder)trans-124.7120.4173.4-173.80000108.9I357 V365 I367 I374 M376 F386 K402 I403 Q404I357-V384 HydrophobicContact CD1-CB 4.4Å; I357-V384 HydrophobicContact CD1-CG1 3.94Å; I357-V384 HydrophobicContact CD1-CG2 3.5Å; V365-V384 CarbonylContact O-C 3.56Å; V365-V384 WeakPolarHBondContact O-CA 3.43Å; I367-V384 HydrophobicContact CD1-CG1 3.93Å; I374-V384 HydrophobicContact CG2-CG1 4.44Å; M376-V384 HydrophobicContact CE-CG2 4.1Å; M376-V384 HydrophobicContact SD-CG2 3.77Å; V384-F386 HydrophobicContact CG1-CD1 4.29Å; V384-K402 PolarHBondContact N-O 3.06Å; V384-I403 CarbonylContact O-C 3.54Å; V384-I403 WeakPolarHBondContact O-CA 3.27Å; V384-Q404 PolarHBondContact O-N 2.99Å
385V96.4Very high96.4Very high28 Ų2832.7 Ų32.717%0.1717%0.17CC..EExtended strand (participates in β ladder)trans-115.3129.1177-172.60000108.4V365 Q366 I367 Q404 L406V365-V385 PolarHBondContact O-N 2.77Å; Q366-V385 CarbonylContact C-O 3.55Å; Q366-V385 WeakPolarHBondContact CA-O 3.28Å; Q366-V385 HydrophobicContact CG-CB 4.46Å; I367-V385 PolarHBondContact N-O 3.41Å; V385-Q404 CarbonylContact C-O 3.57Å; V385-Q404 WeakPolarHBondContact CA-O 3.49Å; V385-Q404 HydrophobicContact CG1-CB 4.28Å; V385-Q404 HydrophobicContact CG1-CG 4.34Å; V385-Q404 HydrophobicContact CG2-CB 4.19Å; V385-L406 HydrophobicContact CG1-CD1 3.85Å; V385-L406 HydrophobicContact CG1-CD2 4.28Å; V385-L406 HydrophobicContact CG1-CG 3.97Å
386F96.6Very high96.5Very high1 Ų132 Ų320%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-145.4153.3-179.362.7-88.3000113.4I367 I374 V384 L389 I393 I403 Q404 C405 L406 L409I367-F386 HydrophobicContact CB-CB 3.95Å; I367-F386 VanDerWaalsContact O-CA 3.26Å; I367-F386 WeakPolarHBondContact O-CA 3.42Å; I374-F386 HydrophobicContact CD1-CB 3.74Å; I374-F386 HydrophobicContact CD1-CD1 3.54Å; I374-F386 HydrophobicContact CD1-CD2 4.05Å; I374-F386 HydrophobicContact CD1-CE1 4.11Å; I374-F386 HydrophobicContact CD1-CG 3.5Å; I374-F386 VanDerWaalsContact CD1-CG 3.5Å; V384-F386 HydrophobicContact CG1-CD1 4.29Å; F386-L389 HydrophobicContact CD2-CB 4.12Å; F386-L389 HydrophobicContact CD2-CD1 4.38Å; F386-L389 HydrophobicContact CE2-CB 3.79Å; F386-L389 HydrophobicContact CE2-CD1 4.05Å; F386-L389 HydrophobicContact CZ-CD1 4.38Å; F386-I393 HydrophobicContact CD1-CD1 4.31Å; F386-I393 HydrophobicContact CE1-CD1 3.62Å; F386-I393 HydrophobicContact CZ-CD1 4.27Å; F386-I393 HydrophobicContact CZ-CG2 4.4Å; F386-I403 HydrophobicContact CE1-CG2 3.72Å; F386-I403 HydrophobicContact CZ-CG2 4.43Å; F386-Q404 PolarHBondContact N-O 2.85Å; F386-C405 HydrophobicContact CE1-CB 4.49Å; F386-C405 HydrophobicContact CE2-CB 3.89Å; F386-C405 HydrophobicContact CZ-CB 3.83Å; F386-L406 PolarHBondContact O-N 3.35Å; F386-L409 HydrophobicContact CE2-CB 4.43Å; F386-L409 HydrophobicContact CE2-CD1 4.11Å; F386-L409 HydrophobicContact CE2-CD2 4.34Å; F386-L409 HydrophobicContact CZ-CD1 4.05Å; F386-L409 HydrophobicContact CZ-CD2 3.83Å; F386-L409 HydrophobicContact CZ-CG 4.43Å
387D95.2Very high96.5Very high45 Ų4535.6 Ų35.624%0.24119%0.188CC..EExtended strand (participates in β ladder)trans-78.7-80.6-179.5-56.9-25.5000111.6I367 K368 G369 G407I367-D387 PolarHBondContact O-N 3.44Å; K368-D387 WeakPolarHBondContact CA-OD2 3.47Å; G369-D387 PolarHBondContact N-OD2 3.06Å; D387-G407 CarbonylContact O-C 3.59Å; D387-G407 WeakPolarHBondContact O-CA 3.48Å; D387-G407 PolarHBondContact O-N 2.85Å
388H94.8Very high96.5Very high63 Ų6333.7 Ų33.729%0.29218%0.178SC..EExtended strand (participates in β ladder)trans-125.2137.8-175.1-54.9-91.5000112.1G369 K370 I371 Q408G369-H388 PolarHBondContact O-N 3.28Å; K370-H388 WeakPolarHBondContact CA-O 3.21Å; K370-H388 HydrophobicContact CB-CB 4.03Å; K370-H388 HydrophobicContact CD-CB 4.36Å; K370-H388 HydrophobicContact CG-CB 3.91Å; I371-H388 PolarHBondContact N-O 2.9Å; H388-Q408 PolarHBondContact ND1-N 3.26Å; H388-Q408 VanDerWaalsContact ND1-N 3.11Å
389L95.5Very high96.5Very high4 Ų434.9 Ų34.92%0.02118%0.182CC..EExtended strand (participates in β ladder)trans-127.9130.4179.9-163.6148.7000110.3I371 I374 F386 S392 I393 Q408 L409I371-L389 WeakPolarHBondContact O-CA 3.2Å; I374-L389 HydrophobicContact CB-CD1 3.98Å; I374-L389 HydrophobicContact CD1-CD1 3.64Å; I374-L389 HydrophobicContact CG1-CD1 3.61Å; F386-L389 HydrophobicContact CD2-CB 4.12Å; F386-L389 HydrophobicContact CD2-CD1 4.38Å; F386-L389 HydrophobicContact CE2-CB 3.79Å; F386-L389 HydrophobicContact CE2-CD1 4.05Å; F386-L389 HydrophobicContact CZ-CD1 4.38Å; L389-S392 VanDerWaalsContact CD2-CA 3.43Å; L389-S392 WeakPolarHBondContact CD2-O 3.46Å; L389-I393 HydrophobicContact CD1-CB 4.12Å; L389-Q408 PolarHBondContact N-O 3.49Å; L389-L409 HydrophobicContact CB-CD1 4.02Å; L389-L409 HydrophobicContact CD1-CD1 4.38Å; L389-L409 HydrophobicContact CD2-CD1 3.97Å; L389-L409 HydrophobicContact CG-CD1 4.36Å
390I94.4Very high96.5Very high76 Ų7638.4 Ų38.439%0.3921%0.206SC..SBendtrans-80.5-40.5-174.1-62.9168000112.1T351 K370 I371 N372T351-I390 HydrophobicContact CG2-CD1 4.48Å; K370-I390 HydrophobicContact CD-CG1 4.45Å; K370-I390 VanDerWaalsContact CE-CG1 3.47Å; K370-I390 HydrophobicContact CG-CD1 4.32Å; K370-I390 HydrophobicContact CG-CG1 4.16Å; I371-I390 WeakPolarHBondContact O-CG1 3.27Å; I371-I390 PolarHBondContact O-N 2.98Å; N372-I390 PolarHBondContact O-N 2.67Å
391S93.9Very high96.6Very high44 Ų4434.5 Ų34.531%0.30819%0.189SC..SBendtrans-106.9-101-175.660.60000112.4N372 S373N372-S391 PolarHBondContact O-N 3.3Å; N372-S391 PolarHBondContact O-OG 2.89Å; S373-S391 VanDerWaalsContact CB-OG 3.27Å; S373-S391 WeakPolarHBondContact CB-OG 3.38Å
392S95.8Very high96.6Very high20 Ų2033.8 Ų33.814%0.1419%0.186CC..EExtended strand (participates in β ladder)trans-133.9160.217861.10000113.8S373 I374 L389 D394 T411S373-S392 WeakPolarHBondContact CA-O 3.34Å; S373-S392 WeakPolarHBondContact CB-O 3.49Å; I374-S392 PolarHBondContact N-O 2.9Å; L389-S392 VanDerWaalsContact CD2-CA 3.43Å; L389-S392 WeakPolarHBondContact CD2-O 3.46Å; S392-D394 PolarHBondContact OG-OD1 2.86Å; S392-T411 VanDerWaalsContact CA-O 3.23Å; S392-T411 WeakPolarHBondContact CA-O 3.47Å; S392-T411 WeakPolarHBondContact CB-O 3.34Å
393I97.9Very high96.7Very high0 Ų033.8 Ų33.80%019%0.186CC..EExtended strand (participates in β ladder)trans-100.6128.7157.9-177.2161.6000109.2I374 F386 L389 V395 I403 L409 T411 V412 N413I374-I393 HydrophobicContact CB-CB 4.4Å; I374-I393 HydrophobicContact CB-CD1 4.07Å; I374-I393 HydrophobicContact CB-CG1 3.96Å; I374-I393 HydrophobicContact CD1-CD1 4.31Å; I374-I393 HydrophobicContact CG2-CD1 3.91Å; I374-I393 HydrophobicContact CG2-CG1 4.08Å; I374-I393 CarbonylContact O-C 3.56Å; I374-I393 WeakPolarHBondContact O-CA 3.48Å; F386-I393 HydrophobicContact CD1-CD1 4.31Å; F386-I393 HydrophobicContact CE1-CD1 3.62Å; F386-I393 HydrophobicContact CZ-CD1 4.27Å; F386-I393 HydrophobicContact CZ-CG2 4.4Å; L389-I393 HydrophobicContact CD1-CB 4.12Å; I393-V395 HydrophobicContact CG1-CG2 4.33Å; I393-I403 HydrophobicContact CD1-CD1 4.31Å; I393-I403 HydrophobicContact CD1-CG1 4.39Å; I393-I403 HydrophobicContact CD1-CG2 3.68Å; I393-L409 HydrophobicContact CG2-CD1 4.08Å; I393-L409 HydrophobicContact CG2-CD2 4.31Å; I393-T411 PolarHBondContact N-O 3.13Å; I393-T411 VanDerWaalsContact N-O 3.14Å; I393-V412 HydrophobicContact CG2-CB 4.17Å; I393-V412 HydrophobicContact CG2-CG1 4.04Å; I393-V412 HydrophobicContact CG2-CG2 3.85Å; I393-N413 PolarHBondContact O-N 3.4Å
394D98.1Very high96.7Very high43 Ų4336.4 Ų36.423%0.2320%0.195CC..EExtended strand (participates in β ladder)trans-113.3127.1-178.2-57.8-32.6000109.7I374 M375 M376 S392 N413I374-D394 PolarHBondContact O-N 3.42Å; M375-D394 CarbonylContact C-O 3.55Å; M375-D394 HydrophobicContact SD-CB 3.5Å; M375-D394 VanDerWaalsContact SD-CB 3.5Å; M376-D394 PolarHBondContact N-O 3.31Å; S392-D394 PolarHBondContact OG-OD1 2.86Å; D394-N413 CarbonylContact C-O 3.55Å; D394-N413 WeakPolarHBondContact CA-O 3.43Å; D394-N413 WeakPolarHBondContact OD1-CB 3.42Å; D394-N413 PolarHBondContact OD1-ND2 3.45Å
395V98.3Very high96.7Very high0 Ų036.5 Ų36.50%020%0.196CC..EExtended strand (participates in β ladder)trans-125.4109.7-173.9-173.20000107.5M376 I393 C398 V401 I403 N413 I414 D415 T417M376-V395 WeakPolarHBondContact O-CA 3.44Å; I393-V395 HydrophobicContact CG1-CG2 4.33Å; V395-C398 HydrophobicContact CG1-CB 3.98Å; V395-V401 HydrophobicContact CG1-CG2 3.95Å; V395-I403 HydrophobicContact CB-CD1 4.36Å; V395-I403 HydrophobicContact CG1-CD1 4.46Å; V395-I403 HydrophobicContact CG2-CD1 3.15Å; V395-I403 HydrophobicContact CG2-CG1 4.39Å; V395-N413 PolarHBondContact N-O 3.06Å; V395-I414 HydrophobicContact CB-CG1 4.37Å; V395-I414 HydrophobicContact CG2-CG1 4.46Å; V395-I414 CarbonylContact O-C 3.6Å; V395-I414 WeakPolarHBondContact O-CA 3.41Å; V395-D415 PolarHBondContact O-N 3.21Å; V395-T417 HydrophobicContact CG1-CG2 4.04Å; V395-T417 PolarHBondContact O-OG1 3.34Å
396V98Very high96.6Very high34 Ų3439.6 Ų39.621%0.20621%0.21CC..EExtended strand (participates in β ladder)trans-128134.5-169.8-174.90000110.5M375 M376 D377 N378 C398 D415M375-V396 HydrophobicContact CE-CB 3.75Å; M375-V396 HydrophobicContact CE-CG2 3.42Å; M375-V396 VanDerWaalsContact CE-CG2 3.42Å; M375-V396 HydrophobicContact SD-CG2 4.47Å; M376-V396 PolarHBondContact O-N 3.27Å; D377-V396 VanDerWaalsContact CA-O 3.3Å; D377-V396 WeakPolarHBondContact CA-O 3.48Å; N378-V396 PolarHBondContact N-O 3.03Å; N378-V396 VanDerWaalsContact N-O 3.08Å; V396-C398 PolarHBondContact O-N 3.4Å; V396-C398 VanDerWaalsContact O-N 3.13Å; V396-C398 PolarHBondContact O-SG 3.16Å; V396-D415 VanDerWaalsContact CA-O 3.27Å; V396-D415 WeakPolarHBondContact CA-O 3.35Å; V396-D415 HydrophobicContact CG2-CB 4.35Å
397N97.4Very high96.5Very high76 Ų7639.7 Ų39.741%0.40621%0.212SC..SBendtrans55.834.9172.1-17245.4000113.4N378 D415 K416N378-N397 VanDerWaalsContact CA-O 3.25Å; N378-N397 WeakPolarHBondContact CA-O 3.43Å; N378-N397 PolarHBondContact OD1-ND2 3.11Å; N397-D415 PolarHBondContact N-O 3.29Å; N397-K416 WeakPolarHBondContact CA-O 3.17Å; N397-K416 PolarHBondContact N-O 3.02Å
398C97.9Very high96.5Very high0 Ų042.3 Ų42.30%022%0.223CC..  trans-103.6162.3-174.6-74.20000112.5C379 V395 V396 V401 T417 D418C379-C398 PolarHBondContact N-SG 3.38Å; C379-C398 VanDerWaalsContact N-SG 3.4Å; C379-C398 CarbonylContact O-C 3.6Å; C379-C398 VanDerWaalsContact O-CA 3.24Å; C379-C398 WeakPolarHBondContact O-CA 3.26Å; C379-C398 WeakPolarHBondContact O-CB 3.35Å; V395-C398 HydrophobicContact CG1-CB 3.98Å; V396-C398 PolarHBondContact O-N 3.4Å; V396-C398 VanDerWaalsContact O-N 3.13Å; V396-C398 PolarHBondContact O-SG 3.16Å; C398-V401 HydrophobicContact CB-CG1 3.72Å; C398-V401 HydrophobicContact CB-CG2 3.99Å; C398-T417 HydrophobicContact CB-CG2 3.74Å; C398-T417 PolarHBondContact N-OG1 2.73Å; C398-T417 VanDerWaalsContact O-CA 3.3Å; C398-T417 WeakPolarHBondContact O-CA 3.49Å; C398-T417 WeakPolarHBondContact O-CG2 3.45Å; C398-D418 PolarHBondContact O-N 2.66Å
399Q97.3Very high96.6Very high77 Ų7739.7 Ų39.736%0.3621%0.211SC..EExtended strand (participates in β ladder)trans-136.5128.6177.1-64.8178.9-13.600112.4C379 K380 K381 V401 D418C379-Q399 PolarHBondContact O-N 3.22Å; K380-Q399 CarbonylContact C-O 3.57Å; K380-Q399 VanDerWaalsContact CA-O 3.26Å; K380-Q399 WeakPolarHBondContact CA-O 3.28Å; K380-Q399 HydrophobicContact CG-CB 4.21Å; K381-Q399 PolarHBondContact N-O 3.03Å; Q399-V401 PolarHBondContact O-N 3.25Å; Q399-D418 CarbonylContact C-O 3.58Å; Q399-D418 VanDerWaalsContact CA-O 3.27Å; Q399-D418 WeakPolarHBondContact CA-O 3.44Å
400S96.2Very high96.6Very high73 Ų7342.7 Ų42.751%0.5123%0.232SC..EExtended strand (participates in β ladder)trans52.651178.6-49.60000113.3K381 D418 G419K381-S400 WeakPolarHBondContact CA-O 3.48Å; K381-S400 PolarHBondContact N-O 2.9Å; S400-D418 PolarHBondContact N-O 3.44Å; S400-G419 CarbonylContact C-O 3.6Å; S400-G419 WeakPolarHBondContact CA-O 3.5Å; S400-G419 PolarHBondContact N-O 2.96Å; S400-G419 VanDerWaalsContact N-O 3.1Å
401V98Very high96.7Very high1 Ų140.6 Ų40.61%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-99.7156.4-176.3-65.40000112.3M376 T382 V395 C398 Q399 T417 G419 C420 Q421M376-V401 HydrophobicContact CE-CB 3.89Å; M376-V401 HydrophobicContact CE-CG1 3.43Å; M376-V401 VanDerWaalsContact CE-CG1 3.43Å; M376-V401 HydrophobicContact SD-CB 4.26Å; M376-V401 HydrophobicContact SD-CG1 4.22Å; T382-V401 WeakPolarHBondContact O-CA 3.42Å; T382-V401 WeakPolarHBondContact O-CB 3.44Å; V395-V401 HydrophobicContact CG1-CG2 3.95Å; C398-V401 HydrophobicContact CB-CG1 3.72Å; C398-V401 HydrophobicContact CB-CG2 3.99Å; Q399-V401 PolarHBondContact O-N 3.25Å; V401-T417 HydrophobicContact CG2-CG2 3.99Å; V401-G419 PolarHBondContact N-O 3.44Å; V401-C420 HydrophobicContact CG2-CB 4.12Å; V401-C420 WeakPolarHBondContact O-CA 3.26Å; V401-Q421 PolarHBondContact O-N 3.14Å
402K97.6Very high96.9Very high108 Ų10838.5 Ų38.547%0.4721%0.208SC..EExtended strand (participates in β ladder)trans-128.6137177.2-56.6-168.2-179.2-161.60110.2T382 G383 V384 Q421 F423T382-K402 PolarHBondContact O-N 3.32Å; G383-K402 CarbonylContact C-O 3.56Å; G383-K402 VanDerWaalsContact CA-O 3.27Å; G383-K402 WeakPolarHBondContact CA-O 3.14Å; V384-K402 PolarHBondContact N-O 3.06Å; K402-Q421 CarbonylContact C-O 3.52Å; K402-Q421 WeakPolarHBondContact CA-O 3.38Å; K402-Q421 HydrophobicContact CG-CB 4.27Å; K402-F423 HydrophobicContact CB-CE2 4.43Å; K402-F423 HydrophobicContact CD-CE2 4.32Å
403I97.7Very high97Very high1 Ų139.8 Ų39.81%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-127.8127.2-177.9-61.8169.3000107.2V384 F386 I393 V395 Q421 V422 F423V384-I403 CarbonylContact O-C 3.54Å; V384-I403 WeakPolarHBondContact O-CA 3.27Å; F386-I403 HydrophobicContact CE1-CG2 3.72Å; F386-I403 HydrophobicContact CZ-CG2 4.43Å; I393-I403 HydrophobicContact CD1-CD1 4.31Å; I393-I403 HydrophobicContact CD1-CG1 4.39Å; I393-I403 HydrophobicContact CD1-CG2 3.68Å; V395-I403 HydrophobicContact CB-CD1 4.36Å; V395-I403 HydrophobicContact CG1-CD1 4.46Å; V395-I403 HydrophobicContact CG2-CD1 3.15Å; V395-I403 HydrophobicContact CG2-CG1 4.39Å; I403-Q421 PolarHBondContact N-O 3.01Å; I403-V422 CarbonylContact O-C 3.6Å; I403-F423 WeakPolarHBondContact O-CD2 3.37Å; I403-F423 PolarHBondContact O-N 2.96Å
404Q96.4Very high97Very high69 Ų6939.9 Ų39.932%0.32221%0.214SC..EExtended strand (participates in β ladder)trans-130117.9178.8-176.2175.19.600110.6V384 V385 F386 L406 F423V384-Q404 PolarHBondContact O-N 2.99Å; V385-Q404 CarbonylContact C-O 3.57Å; V385-Q404 WeakPolarHBondContact CA-O 3.49Å; V385-Q404 HydrophobicContact CG1-CB 4.28Å; V385-Q404 HydrophobicContact CG1-CG 4.34Å; V385-Q404 HydrophobicContact CG2-CB 4.19Å; F386-Q404 PolarHBondContact N-O 2.85Å; Q404-L406 HydrophobicContact CG-CD2 4.14Å; Q404-F423 WeakPolarHBondContact CA-O 3.36Å; Q404-F423 HydrophobicContact CB-CB 4Å; Q404-F423 HydrophobicContact CG-CB 3.88Å
405C96.8Very high97Very high4 Ų440.2 Ų40.23%0.02722%0.216CC..EExtended strand (participates in β ladder)trans-94.3129.9170.3-174.30000109.6F386 G407 L409 F423 S425F386-C405 HydrophobicContact CE1-CB 4.49Å; F386-C405 HydrophobicContact CE2-CB 3.89Å; F386-C405 HydrophobicContact CZ-CB 3.83Å; C405-G407 VanDerWaalsContact SG-C 3.59Å; C405-G407 PolarHBondContact SG-O 3.33Å; C405-L409 HydrophobicContact CB-CB 4.3Å; C405-L409 HydrophobicContact CB-CD2 4.01Å; C405-L409 VanDerWaalsContact SG-CB 3.58Å; C405-F423 PolarHBondContact N-O 2.93Å; C405-S425 WeakPolarHBondContact O-CB 3.43Å
406L95Very high96.9Very high92 Ų9245.3 Ų45.348%0.48224%0.238SC..SBendtrans-96.5-24.2175.3-57.4179.1000112.4V385 F386 Q404V385-L406 HydrophobicContact CG1-CD1 3.85Å; V385-L406 HydrophobicContact CG1-CD2 4.28Å; V385-L406 HydrophobicContact CG1-CG 3.97Å; F386-L406 PolarHBondContact O-N 3.35Å; Q404-L406 HydrophobicContact CG-CD2 4.14Å
407G94.3Very high96.9Very high3 Ų343.7 Ų43.73%0.03123%0.228CC..SBendtrans-126.1-125.7-17600000112.6D387 C405 S425D387-G407 CarbonylContact O-C 3.59Å; D387-G407 WeakPolarHBondContact O-CA 3.48Å; D387-G407 PolarHBondContact O-N 2.85Å; C405-G407 VanDerWaalsContact SG-C 3.59Å; C405-G407 PolarHBondContact SG-O 3.33Å; G407-S425 PolarHBondContact O-OG 2.9Å
408Q94.9Very high96.9Very high100 Ų10043.6 Ų43.647%0.46723%0.228SC..  trans-93.1136.4-173.4-64.7-179-9.900111.6H388 L389 E427H388-Q408 PolarHBondContact ND1-N 3.26Å; H388-Q408 VanDerWaalsContact ND1-N 3.11Å; L389-Q408 PolarHBondContact N-O 3.49Å; Q408-E427 HydrophobicContact CG-CB 4.27Å; Q408-E427 WeakPolarHBondContact CG-OE2 3.39Å
409L96.7Very high96.8Very high9 Ų944.1 Ų44.15%0.04723%0.233CC..  trans-151.1130.7175.1174.467000109.1F386 L389 I393 C405 V412 L424 A431F386-L409 HydrophobicContact CE2-CB 4.43Å; F386-L409 HydrophobicContact CE2-CD1 4.11Å; F386-L409 HydrophobicContact CE2-CD2 4.34Å; F386-L409 HydrophobicContact CZ-CD1 4.05Å; F386-L409 HydrophobicContact CZ-CD2 3.83Å; F386-L409 HydrophobicContact CZ-CG 4.43Å; L389-L409 HydrophobicContact CB-CD1 4.02Å; L389-L409 HydrophobicContact CD1-CD1 4.38Å; L389-L409 HydrophobicContact CD2-CD1 3.97Å; L389-L409 HydrophobicContact CG-CD1 4.36Å; I393-L409 HydrophobicContact CG2-CD1 4.08Å; I393-L409 HydrophobicContact CG2-CD2 4.31Å; C405-L409 HydrophobicContact CB-CB 4.3Å; C405-L409 HydrophobicContact CB-CD2 4.01Å; C405-L409 VanDerWaalsContact SG-CB 3.58Å; L409-V412 HydrophobicContact CD2-CG2 3.47Å; L409-V412 VanDerWaalsContact CD2-CG2 3.47Å; L409-V412 HydrophobicContact CG-CG2 4.18Å; L409-L424 HydrophobicContact CD2-CD2 3.99Å; L409-A431 HydrophobicContact CG-CB 4.46Å; L409-A431 WeakPolarHBondContact O-CB 3.41Å
410S95.3Very high96.8Very high67 Ų6740.5 Ų40.547%0.46922%0.216SC..  trans-96.3-42.6-177.1-53.50000112.6A431 D432S410-A431 WeakPolarHBondContact O-CA 3.44Å; S410-D432 PolarHBondContact O-N 2.92Å
411T97.4Very high96.8Very high32 Ų3239.5 Ų39.520%0.19620%0.203CC..EExtended strand (participates in β ladder)trans-143.9136.8-171.7-51.60000111.6S392 I393 D432 I434S392-T411 VanDerWaalsContact CA-O 3.23Å; S392-T411 WeakPolarHBondContact CA-O 3.47Å; S392-T411 WeakPolarHBondContact CB-O 3.34Å; I393-T411 PolarHBondContact N-O 3.13Å; I393-T411 VanDerWaalsContact N-O 3.14Å; T411-D432 CarbonylContact C-O 3.49Å; T411-D432 WeakPolarHBondContact CA-O 3.45Å; T411-D432 HydrophobicContact CG2-CB 4.4Å; T411-I434 HydrophobicContact CG2-CD1 3.91Å; T411-I434 HydrophobicContact CG2-CG1 4.49Å
412V98.1Very high96.8Very high0 Ų039.5 Ų39.50%020%0.203CC..EExtended strand (participates in β ladder)trans-119.1116.1175.2-179.70000107.9I393 L409 I414 V422 D432 V433 I434I393-V412 HydrophobicContact CG2-CB 4.17Å; I393-V412 HydrophobicContact CG2-CG1 4.04Å; I393-V412 HydrophobicContact CG2-CG2 3.85Å; L409-V412 HydrophobicContact CD2-CG2 3.47Å; L409-V412 VanDerWaalsContact CD2-CG2 3.47Å; L409-V412 HydrophobicContact CG-CG2 4.18Å; V412-I414 HydrophobicContact CG1-CD1 4.05Å; V412-I414 HydrophobicContact CG1-CG1 3.93Å; V412-V422 HydrophobicContact CG1-CG1 4.3Å; V412-V422 HydrophobicContact CG1-CG2 4.18Å; V412-V422 HydrophobicContact CG2-CG1 4.16Å; V412-D432 PolarHBondContact N-O 3.19Å; V412-V433 HydrophobicContact CB-CG1 4.39Å; V412-V433 HydrophobicContact CB-CG2 4.18Å; V412-V433 HydrophobicContact CG1-CG1 4.39Å; V412-V433 HydrophobicContact CG2-CG2 4.45Å; V412-V433 CarbonylContact O-C 3.53Å; V412-V433 WeakPolarHBondContact O-CA 3.26Å; V412-I434 PolarHBondContact O-N 3.47Å
413N98.3Very high96.8Very high47 Ų4736 Ų3625%0.25119%0.188SC..EExtended strand (participates in β ladder)trans-105.3126.4176.7-62.2-43.1000109.7I393 D394 V395 I434I393-N413 PolarHBondContact O-N 3.4Å; D394-N413 CarbonylContact C-O 3.55Å; D394-N413 WeakPolarHBondContact CA-O 3.43Å; D394-N413 WeakPolarHBondContact OD1-CB 3.42Å; D394-N413 PolarHBondContact OD1-ND2 3.45Å; V395-N413 PolarHBondContact N-O 3.06Å; N413-I434 WeakPolarHBondContact CA-O 3.4Å
414I98.1Very high96.8Very high2 Ų236.3 Ų36.31%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-126.9110.1-180-52.9172.7000108.2V395 V412 T417 C420 V422 V433 I434 T435 A436 S438 V441V395-I414 HydrophobicContact CB-CG1 4.37Å; V395-I414 HydrophobicContact CG2-CG1 4.46Å; V395-I414 CarbonylContact O-C 3.6Å; V395-I414 WeakPolarHBondContact O-CA 3.41Å; V412-I414 HydrophobicContact CG1-CD1 4.05Å; V412-I414 HydrophobicContact CG1-CG1 3.93Å; I414-T417 HydrophobicContact CG2-CG2 4.08Å; I414-C420 HydrophobicContact CD1-CB 4.3Å; I414-C420 HydrophobicContact CG2-CB 4.41Å; I414-V422 HydrophobicContact CD1-CG2 3.87Å; I414-V433 HydrophobicContact CD1-CG1 4.17Å; I414-I434 PolarHBondContact N-O 2.8Å; I414-T435 HydrophobicContact CB-CG2 4.32Å; I414-T435 HydrophobicContact CD1-CG2 4.41Å; I414-T435 CarbonylContact O-C 3.5Å; I414-T435 VanDerWaalsContact O-CA 3.31Å; I414-T435 WeakPolarHBondContact O-CA 3.2Å; I414-A436 PolarHBondContact O-N 3.24Å; I414-S438 PolarHBondContact O-OG 3.22Å; I414-V441 HydrophobicContact CD1-CG1 3.65Å; I414-V441 HydrophobicContact CD1-CG2 4.49Å; I414-V441 HydrophobicContact CG2-CG2 4.38Å
415D97.6Very high96.7Very high49 Ų4933.7 Ų33.726%0.26218%0.179SC..EExtended strand (participates in β ladder)trans-120.3138.1178-173.732.3000111.1V395 V396 N397 T417 A436V395-D415 PolarHBondContact O-N 3.21Å; V396-D415 VanDerWaalsContact CA-O 3.27Å; V396-D415 WeakPolarHBondContact CA-O 3.35Å; V396-D415 HydrophobicContact CG2-CB 4.35Å; N397-D415 PolarHBondContact N-O 3.29Å; D415-T417 PolarHBondContact O-N 3.17Å; D415-T417 VanDerWaalsContact O-N 3.09Å; D415-T417 PolarHBondContact O-OG1 3.28Å; D415-A436 CarbonylContact C-O 3.42Å; D415-A436 VanDerWaalsContact CA-O 3.27Å; D415-A436 WeakPolarHBondContact CA-O 3.3Å; D415-A436 HydrophobicContact CB-CB 4.45Å; D415-A436 WeakPolarHBondContact OD1-CB 3.34Å
416K97.1Very high96.5Very high108 Ų10838.8 Ų38.847%0.4720%0.202SC..SBendtrans48.240.2175.6-62.3168-168162.80113.6N397 A436 K437 S438N397-K416 WeakPolarHBondContact CA-O 3.17Å; N397-K416 PolarHBondContact N-O 3.02Å; K416-A436 PolarHBondContact N-O 3.45Å; K416-K437 VanDerWaalsContact CA-O 3.28Å; K416-K437 WeakPolarHBondContact CA-O 3.4Å; K416-K437 HydrophobicContact CG-CB 4.22Å; K416-K437 HydrophobicContact CG-CD 4.44Å; K416-S438 PolarHBondContact N-OG 3.44Å
417T97.9Very high96.4Very high0 Ų040.2 Ų40.20%021%0.207CC..  trans-120.5132-174.2-66.50000110.4V395 C398 V401 I414 D415 C420 S438 S439V395-T417 HydrophobicContact CG1-CG2 4.04Å; V395-T417 PolarHBondContact O-OG1 3.34Å; C398-T417 HydrophobicContact CB-CG2 3.74Å; C398-T417 PolarHBondContact N-OG1 2.73Å; C398-T417 VanDerWaalsContact O-CA 3.3Å; C398-T417 WeakPolarHBondContact O-CA 3.49Å; C398-T417 WeakPolarHBondContact O-CG2 3.45Å; V401-T417 HydrophobicContact CG2-CG2 3.99Å; I414-T417 HydrophobicContact CG2-CG2 4.08Å; D415-T417 PolarHBondContact O-N 3.17Å; D415-T417 VanDerWaalsContact O-N 3.09Å; D415-T417 PolarHBondContact O-OG1 3.28Å; T417-C420 HydrophobicContact CG2-CB 4.04Å; T417-S438 PolarHBondContact N-OG 3.46Å; T417-S438 VanDerWaalsContact N-OG 3.11Å; T417-S438 CarbonylContact O-C 3.55Å; T417-S438 WeakPolarHBondContact O-CA 3.44Å; T417-S438 WeakPolarHBondContact O-CB 3.45Å; T417-S439 PolarHBondContact O-N 3.28Å
418D96.6Very high96.4Very high74 Ų7440.1 Ų40.140%0.39621%0.206SC..EExtended strand (participates in β ladder)trans-110.7113.4-179.3-58.6-44.7000109.7C398 Q399 S400 S439C398-D418 PolarHBondContact O-N 2.66Å; Q399-D418 CarbonylContact C-O 3.58Å; Q399-D418 VanDerWaalsContact CA-O 3.27Å; Q399-D418 WeakPolarHBondContact CA-O 3.44Å; S400-D418 PolarHBondContact N-O 3.44Å; D418-S439 PolarHBondContact OD1-OG 3.26Å
419G94.7Very high96.3Very high11 Ų1138.5 Ų38.511%0.11320%0.197CC..EExtended strand (participates in β ladder)trans78.595.3-175.100000111.9S400 V401 S439 E440S400-G419 CarbonylContact C-O 3.6Å; S400-G419 WeakPolarHBondContact CA-O 3.5Å; S400-G419 PolarHBondContact N-O 2.96Å; S400-G419 VanDerWaalsContact N-O 3.1Å; V401-G419 PolarHBondContact N-O 3.44Å; G419-S439 PolarHBondContact N-O 2.88Å; G419-E440 WeakPolarHBondContact CA-O 3.47Å
420C97.7Very high96.1Very high0 Ų047.6 Ų47.60%023%0.232CC..EExtended strand (participates in β ladder)trans-136.1120.4176.7-172.50000110.6V401 I414 T417 E440 V441 N442V401-C420 HydrophobicContact CG2-CB 4.12Å; V401-C420 WeakPolarHBondContact O-CA 3.26Å; I414-C420 HydrophobicContact CD1-CB 4.3Å; I414-C420 HydrophobicContact CG2-CB 4.41Å; T417-C420 HydrophobicContact CG2-CB 4.04Å; C420-E440 PolarHBondContact N-O 3.04Å; C420-V441 HydrophobicContact CB-CG2 4.27Å; C420-V441 WeakPolarHBondContact O-CA 3.36Å; C420-N442 PolarHBondContact O-N 3.31Å
421Q97.6Very high96.1Very high53 Ų5345.1 Ų45.125%0.24822%0.216CC..EExtended strand (participates in β ladder)trans-103.7119.5173.5-65.8-175.2-27.700110V401 K402 I403 F423 N442 L444V401-Q421 PolarHBondContact O-N 3.14Å; K402-Q421 CarbonylContact C-O 3.52Å; K402-Q421 WeakPolarHBondContact CA-O 3.38Å; K402-Q421 HydrophobicContact CG-CB 4.27Å; I403-Q421 PolarHBondContact N-O 3.01Å; Q421-F423 HydrophobicContact CB-CD2 4.35Å; Q421-F423 HydrophobicContact CB-CE2 3.69Å; Q421-F423 HydrophobicContact CB-CZ 4.43Å; Q421-N442 WeakPolarHBondContact CA-O 2.87Å; Q421-L444 HydrophobicContact CB-CD1 3.89Å; Q421-L444 HydrophobicContact CG-CD1 4.39Å
422V98Very high96.1Very high1 Ų148.7 Ų48.71%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-107.5103.1-179.4-173.70000109.4I403 V412 I414 L424 N442 L444I403-V422 CarbonylContact O-C 3.6Å; V412-V422 HydrophobicContact CG1-CG1 4.3Å; V412-V422 HydrophobicContact CG1-CG2 4.18Å; V412-V422 HydrophobicContact CG2-CG1 4.16Å; I414-V422 HydrophobicContact CD1-CG2 3.87Å; V422-L424 HydrophobicContact CG1-CD2 3.92Å; V422-L424 HydrophobicContact CG1-CG 4.2Å; V422-N442 PolarHBondContact N-O 3.03Å; V422-L444 PolarHBondContact O-N 2.91Å
423F97.3Very high96Very high35 Ų3550.5 Ų50.515%0.15425%0.245CC..EExtended strand (participates in β ladder)trans-87.8112.6173.9-61.2-102.9000109.2K402 I403 Q404 C405 Q421 L444 F452K402-F423 HydrophobicContact CB-CE2 4.43Å; K402-F423 HydrophobicContact CD-CE2 4.32Å; I403-F423 WeakPolarHBondContact O-CD2 3.37Å; I403-F423 PolarHBondContact O-N 2.96Å; Q404-F423 WeakPolarHBondContact CA-O 3.36Å; Q404-F423 HydrophobicContact CB-CB 4Å; Q404-F423 HydrophobicContact CG-CB 3.88Å; C405-F423 PolarHBondContact N-O 2.93Å; Q421-F423 HydrophobicContact CB-CD2 4.35Å; Q421-F423 HydrophobicContact CB-CE2 3.69Å; Q421-F423 HydrophobicContact CB-CZ 4.43Å; F423-L444 HydrophobicContact CD1-CB 3.9Å; F423-L444 HydrophobicContact CD1-CD1 4.31Å; F423-L444 HydrophobicContact CD1-CD2 4.07Å; F423-L444 HydrophobicContact CD1-CG 4.31Å; F423-L444 HydrophobicContact CD2-CD1 4.24Å; F423-L444 HydrophobicContact CE1-CB 4.28Å; F423-L444 HydrophobicContact CE1-CD1 4.19Å; F423-L444 HydrophobicContact CE1-CD2 3.57Å; F423-L444 HydrophobicContact CE1-CG 4.22Å; F423-L444 HydrophobicContact CE2-CD1 4.07Å; F423-L444 HydrophobicContact CG-CB 4.28Å; F423-L444 HydrophobicContact CG-CD1 4.34Å; F423-L444 HydrophobicContact CZ-CD1 4.04Å; F423-L444 HydrophobicContact CZ-CD2 3.94Å; F423-F452 HydrophobicContact CD1-CD1 4.26Å; F423-F452 HydrophobicContact CD1-CE1 4.16Å; F423-F452 HydrophobicContact CD1-CE2 4.43Å; F423-F452 HydrophobicContact CD1-CG 4.45Å; F423-F452 HydrophobicContact CD1-CZ 4.25Å
424L96.7Very high95.9Very high6 Ų652.7 Ų52.73%0.03126%0.256CS..  trans-93.7156.8176.8-63.2175.8000110.3L409 V422 A431 I443 L444 I445 P446L409-L424 HydrophobicContact CD2-CD2 3.99Å; V422-L424 HydrophobicContact CG1-CD2 3.92Å; V422-L424 HydrophobicContact CG1-CG 4.2Å; L424-A431 HydrophobicContact CD2-CB 4.26Å; L424-I443 HydrophobicContact CD1-CG2 3.74Å; L424-I443 HydrophobicContact CG-CG2 4.38Å; L424-L444 PolarHBondContact N-O 3.45Å; L424-I445 HydrophobicContact CB-CD1 4.33Å; L424-I445 HydrophobicContact CD1-CD1 3.72Å; L424-I445 HydrophobicContact CG-CD1 4.49Å; L424-P446 WeakPolarHBondContact O-CD 3.49Å
425S94.6Very high95.8Very high14 Ų1455.1 Ų55.110%0.09827%0.271CS..  trans-94170.617170.70000110.4C405 G407 E427 S428 K429C405-S425 WeakPolarHBondContact O-CB 3.43Å; G407-S425 PolarHBondContact O-OG 2.9Å; S425-E427 PolarHBondContact O-N 2.89Å; S425-E427 PolarHBondContact OG-N 3.27Å; S425-S428 PolarHBondContact N-OG 3.21Å; S425-S428 CarbonylContact O-C 3.56Å; S425-S428 PolarHBondContact O-N 2.81Å; S425-S428 VanDerWaalsContact O-N 3.07Å; S425-S428 PolarHBondContact O-OG 3.25Å; S425-S428 PolarHBondContact OG-N 3.13Å; S425-S428 VanDerWaalsContact OG-N 3.1Å; S425-S428 PolarHBondContact OG-OG 3Å; S425-K429 PolarHBondContact O-N 3.17Å
426E93.1Very high95.7Very high111 Ų11155 Ų5552%0.51928%0.277SS..THydrogen-bonded Turntrans-58.4-32.3173.2-170.959-148.600112.3K429E426-K429 IonicContact OE1-NZ 3.41Å; E426-K429 PolarHBondContact OE1-NZ 3.21Å
427E93.1Very high95.5Very high122 Ų12258.4 Ų58.457%0.5729%0.291SS*.THydrogen-bonded Turntrans-79.2-21.9178.4-62.3-174.8-168.100113.2Q408 S425Q408-E427 HydrophobicContact CG-CB 4.27Å; Q408-E427 WeakPolarHBondContact CG-OE2 3.39Å; S425-E427 PolarHBondContact O-N 2.89Å; S425-E427 PolarHBondContact OG-N 3.27Å
428S93.8Very high95.4Very high2 Ų259.5 Ų59.51%0.01430%0.299CS..THydrogen-bonded Turntrans-112.38.6-176.957.40000114.2S425 Y430 A431S425-S428 PolarHBondContact N-OG 3.21Å; S425-S428 CarbonylContact O-C 3.56Å; S425-S428 PolarHBondContact O-N 2.81Å; S425-S428 VanDerWaalsContact O-N 3.07Å; S425-S428 PolarHBondContact O-OG 3.25Å; S425-S428 PolarHBondContact OG-N 3.13Å; S425-S428 VanDerWaalsContact OG-N 3.1Å; S425-S428 PolarHBondContact OG-OG 3Å; S428-Y430 PolarHBondContact O-N 3.06Å; S428-A431 WeakPolarHBondContact O-CB 3.48Å; S428-A431 PolarHBondContact O-N 3.17Å
429K92.2Very high95.3Very high66 Ų6657.4 Ų57.429%0.28729%0.29SS..THydrogen-bonded Turntrans-58.3-20.3-178.569.1-174.3178.4-176.10115.6S425 E426 I445S425-K429 PolarHBondContact O-N 3.17Å; E426-K429 IonicContact OE1-NZ 3.41Å; E426-K429 PolarHBondContact OE1-NZ 3.21Å; K429-I445 HydrophobicContact CB-CG2 4.5Å
430Y93.2Very high95.3Very high199 Ų19963.1 Ų63.178%0.7831%0.314SS*.THydrogen-bonded Turntrans-104.818176.7-57.6-62.9000113S428S428-Y430 PolarHBondContact O-N 3.06Å
431A95.2Very high95.2Very high15 Ų1563.4 Ų63.412%0.12432%0.315CS..  trans-61.8140.5175.200000111L409 S410 L424 S428 V433L409-A431 HydrophobicContact CG-CB 4.46Å; L409-A431 WeakPolarHBondContact O-CB 3.41Å; S410-A431 WeakPolarHBondContact O-CA 3.44Å; L424-A431 HydrophobicContact CD2-CB 4.26Å; S428-A431 WeakPolarHBondContact O-CB 3.48Å; S428-A431 PolarHBondContact O-N 3.17Å; A431-V433 PolarHBondContact O-N 3.24Å
432D97Very high95.2Very high107 Ų10762.6 Ų62.657%0.57231%0.313SS*.EExtended strand (participates in β ladder)trans-73.9121.9173.8-70.9-43.9000109.5S410 T411 V412S410-D432 PolarHBondContact O-N 2.92Å; T411-D432 CarbonylContact C-O 3.49Å; T411-D432 WeakPolarHBondContact CA-O 3.45Å; T411-D432 HydrophobicContact CG2-CB 4.4Å; V412-D432 PolarHBondContact N-O 3.19Å
433V96.5Very high95.1Very high38 Ų3864 Ų6423%0.2332%0.32CS..EExtended strand (participates in β ladder)trans-105.1109.5174.4-1750000108.9V412 I414 A431 T435 I443V412-V433 HydrophobicContact CB-CG1 4.39Å; V412-V433 HydrophobicContact CB-CG2 4.18Å; V412-V433 HydrophobicContact CG1-CG1 4.39Å; V412-V433 HydrophobicContact CG2-CG2 4.45Å; V412-V433 CarbonylContact O-C 3.53Å; V412-V433 WeakPolarHBondContact O-CA 3.26Å; I414-V433 HydrophobicContact CD1-CG1 4.17Å; A431-V433 PolarHBondContact O-N 3.24Å; V433-T435 HydrophobicContact CG1-CG2 4.21Å; V433-I443 HydrophobicContact CB-CD1 3.88Å; V433-I443 HydrophobicContact CG1-CD1 4.1Å; V433-I443 HydrophobicContact CG1-CG1 4.45Å; V433-I443 HydrophobicContact CG2-CD1 3.69Å; V433-I443 HydrophobicContact CG2-CG1 4.21Å
434I96.7Very high95.1Very high94 Ų9463.1 Ų63.148%0.48232%0.317SS..EExtended strand (participates in β ladder)trans-106.8115.3-176.3-56172.6000108.1T411 V412 N413 I414T411-I434 HydrophobicContact CG2-CD1 3.91Å; T411-I434 HydrophobicContact CG2-CG1 4.49Å; V412-I434 PolarHBondContact O-N 3.47Å; N413-I434 WeakPolarHBondContact CA-O 3.4Å; I414-I434 PolarHBondContact N-O 2.8Å
435T96Very high95Very high53 Ų5364.7 Ų64.733%0.32533%0.325SS..EExtended strand (participates in β ladder)trans-110.5141.6-179.464.20000111.7I414 V433 V441 V457I414-T435 HydrophobicContact CB-CG2 4.32Å; I414-T435 HydrophobicContact CD1-CG2 4.41Å; I414-T435 CarbonylContact O-C 3.5Å; I414-T435 VanDerWaalsContact O-CA 3.31Å; I414-T435 WeakPolarHBondContact O-CA 3.2Å; V433-T435 HydrophobicContact CG1-CG2 4.21Å; T435-V441 HydrophobicContact CG2-CG1 4.25Å; T435-V441 HydrophobicContact CG2-CG2 4.43Å; T435-V457 HydrophobicContact CG2-CG1 4.23Å
436A94.8Very high94.9Very high47 Ų4765.2 Ų65.239%0.38833%0.328SS..EExtended strand (participates in β ladder)trans-141.1129.6173.700000109.6I414 D415 K416 S438I414-A436 PolarHBondContact O-N 3.24Å; D415-A436 CarbonylContact C-O 3.42Å; D415-A436 VanDerWaalsContact CA-O 3.27Å; D415-A436 WeakPolarHBondContact CA-O 3.3Å; D415-A436 HydrophobicContact CB-CB 4.45Å; D415-A436 WeakPolarHBondContact OD1-CB 3.34Å; K416-A436 PolarHBondContact N-O 3.45Å; A436-S438 PolarHBondContact O-N 3.27Å; A436-S438 PolarHBondContact O-OG 3.07Å
437K93.7Very high94.7Very high179 Ų17966.3 Ų66.378%0.77833%0.331SS*.SBendtrans45.738.2178.3-62.3-175.3174.1-177.30113.9K416K416-K437 VanDerWaalsContact CA-O 3.28Å; K416-K437 WeakPolarHBondContact CA-O 3.4Å; K416-K437 HydrophobicContact CG-CB 4.22Å; K416-K437 HydrophobicContact CG-CD 4.44Å
438S95.7Very high94.3Very high23 Ų2363.8 Ų63.816%0.16134%0.338CS..  trans-122.5148-174.3-62.20000109.6I414 K416 T417 A436I414-S438 PolarHBondContact O-OG 3.22Å; K416-S438 PolarHBondContact N-OG 3.44Å; T417-S438 PolarHBondContact N-OG 3.46Å; T417-S438 VanDerWaalsContact N-OG 3.11Å; T417-S438 CarbonylContact O-C 3.55Å; T417-S438 WeakPolarHBondContact O-CA 3.44Å; T417-S438 WeakPolarHBondContact O-CB 3.45Å; A436-S438 PolarHBondContact O-N 3.27Å; A436-S438 PolarHBondContact O-OG 3.07Å
439S94.7Very high93.4Very high30 Ų3070.2 Ų70.221%0.2138%0.377CS..EExtended strand (participates in β ladder)trans-130.8159.2-177.265.60000110.5T417 D418 G419 V441T417-S439 PolarHBondContact O-N 3.28Å; D418-S439 PolarHBondContact OD1-OG 3.26Å; G419-S439 PolarHBondContact N-O 2.88Å; S439-V441 VanDerWaalsContact C-N 3.33Å; S439-V441 PolarHBondContact O-N 3.39Å
440E93.5Very high92.7Very high131 Ų13173.7 Ų73.761%0.61240%0.399SS*.EExtended strand (participates in β ladder)trans53.345.7-179.7-58.9176.1-158.800112.8G419 C420 E459G419-E440 WeakPolarHBondContact CA-O 3.47Å; C420-E440 PolarHBondContact N-O 3.04Å; E440-E459 WeakPolarHBondContact CA-OE1 3.49Å; E440-E459 PolarHBondContact N-OE1 3.48Å
441V96.4Very high92.6Very high5 Ų569.7 Ų69.73%0.0339%0.391CS..EExtended strand (participates in β ladder)trans-93.6119.3179.1-1770000110.2I414 C420 T435 S439 V457I414-V441 HydrophobicContact CD1-CG1 3.65Å; I414-V441 HydrophobicContact CD1-CG2 4.49Å; I414-V441 HydrophobicContact CG2-CG2 4.38Å; C420-V441 HydrophobicContact CB-CG2 4.27Å; C420-V441 WeakPolarHBondContact O-CA 3.36Å; T435-V441 HydrophobicContact CG2-CG1 4.25Å; T435-V441 HydrophobicContact CG2-CG2 4.43Å; S439-V441 VanDerWaalsContact C-N 3.33Å; S439-V441 PolarHBondContact O-N 3.39Å; V441-V457 HydrophobicContact CB-CB 4.12Å; V441-V457 HydrophobicContact CB-CG2 4.1Å; V441-V457 HydrophobicContact CG1-CB 4.31Å; V441-V457 HydrophobicContact CG1-CG2 3.74Å; V441-V457 WeakPolarHBondContact O-CB 3.48Å; V441-V457 WeakPolarHBondContact O-CG2 3.23Å; V441-V457 PolarHBondContact O-N 3.01Å
442N95.9Very high92.5Very high37 Ų3773.3 Ų73.320%0.19840%0.404CS..EExtended strand (participates in β ladder)trans-119.2133.5177-65.8-23.9000110.7C420 Q421 V422 L444 E454 A456C420-N442 PolarHBondContact O-N 3.31Å; Q421-N442 WeakPolarHBondContact CA-O 2.87Å; V422-N442 PolarHBondContact N-O 3.03Å; N442-L444 HydrophobicContact CB-CD1 4.48Å; N442-E454 HydrophobicContact CB-CG 4.04Å; N442-E454 WeakPolarHBondContact CB-OE1 3.16Å; N442-E454 VanDerWaalsContact CG-OE1 3.31Å; N442-E454 PolarHBondContact ND2-OE1 3.08Å; N442-A456 WeakPolarHBondContact OD1-CA 3.18Å
443I96.8Very high92.4Very high31 Ų3172.6 Ų72.616%0.15940%0.397CS..EExtended strand (participates in β ladder)trans-102.9125.3174.5-56.7169000107.7L424 V433 I445 F455 V457L424-I443 HydrophobicContact CD1-CG2 3.74Å; L424-I443 HydrophobicContact CG-CG2 4.38Å; V433-I443 HydrophobicContact CB-CD1 3.88Å; V433-I443 HydrophobicContact CG1-CD1 4.1Å; V433-I443 HydrophobicContact CG1-CG1 4.45Å; V433-I443 HydrophobicContact CG2-CD1 3.69Å; V433-I443 HydrophobicContact CG2-CG1 4.21Å; I443-I445 HydrophobicContact CG2-CD1 3.71Å; I443-I445 HydrophobicContact CG2-CG1 4.34Å; I443-F455 PolarHBondContact N-O 3.02Å; I443-F455 PolarHBondContact O-N 3.05Å; I443-V457 HydrophobicContact CD1-CG2 3.68Å; I443-V457 HydrophobicContact CG1-CG2 3.85Å
444L96.5Very high92.3Very high15 Ų1575.7 Ų75.78%0.07941%0.409CS..EExtended strand (participates in β ladder)trans-109.3115.6-179.7-6499.1000109.1Q421 V422 F423 L424 N442 F452 E453 E454Q421-L444 HydrophobicContact CB-CD1 3.89Å; Q421-L444 HydrophobicContact CG-CD1 4.39Å; V422-L444 PolarHBondContact O-N 2.91Å; F423-L444 HydrophobicContact CD1-CB 3.9Å; F423-L444 HydrophobicContact CD1-CD1 4.31Å; F423-L444 HydrophobicContact CD1-CD2 4.07Å; F423-L444 HydrophobicContact CD1-CG 4.31Å; F423-L444 HydrophobicContact CD2-CD1 4.24Å; F423-L444 HydrophobicContact CE1-CB 4.28Å; F423-L444 HydrophobicContact CE1-CD1 4.19Å; F423-L444 HydrophobicContact CE1-CD2 3.57Å; F423-L444 HydrophobicContact CE1-CG 4.22Å; F423-L444 HydrophobicContact CE2-CD1 4.07Å; F423-L444 HydrophobicContact CG-CB 4.28Å; F423-L444 HydrophobicContact CG-CD1 4.34Å; F423-L444 HydrophobicContact CZ-CD1 4.04Å; F423-L444 HydrophobicContact CZ-CD2 3.94Å; L424-L444 PolarHBondContact N-O 3.45Å; N442-L444 HydrophobicContact CB-CD1 4.48Å; L444-F452 HydrophobicContact CB-CB 4.19Å; L444-F452 HydrophobicContact CB-CD1 4.03Å; L444-F452 HydrophobicContact CB-CG 4.36Å; L444-F452 HydrophobicContact CD2-CB 4.22Å; L444-E453 WeakPolarHBondContact CA-O 3.46Å; L444-E454 HydrophobicContact CD2-CB 4.41Å; L444-E454 HydrophobicContact CD2-CG 4.44Å; L444-E454 HydrophobicContact CG-CB 4.43Å; L444-E454 HydrophobicContact CG-CG 4.28Å
445I95.4Very high92.1Very high39 Ų3975.9 Ų75.920%0.241%0.407CS..EExtended strand (participates in β ladder)trans-102.4131.6-178.2-55.2-59.6000108.8L424 K429 I443 F452 E453 F455L424-I445 HydrophobicContact CB-CD1 4.33Å; L424-I445 HydrophobicContact CD1-CD1 3.72Å; L424-I445 HydrophobicContact CG-CD1 4.49Å; K429-I445 HydrophobicContact CB-CG2 4.5Å; I443-I445 HydrophobicContact CG2-CD1 3.71Å; I443-I445 HydrophobicContact CG2-CG1 4.34Å; I445-F452 CarbonylContact O-C 3.52Å; I445-F452 WeakPolarHBondContact O-CA 3.34Å; I445-E453 PolarHBondContact N-O 3.27Å; I445-E453 PolarHBondContact O-N 3.47Å; I445-F455 HydrophobicContact CB-CD2 4.46Å; I445-F455 HydrophobicContact CB-CE2 4.18Å; I445-F455 HydrophobicContact CG1-CD2 3.81Å; I445-F455 HydrophobicContact CG1-CE2 3.88Å
446P93Very high92Very high25 Ų2576.9 Ų76.916%0.16242%0.42CS..EExtended strand (participates in β ladder)trans-68.3135.7-179.226.6-31.5000110.8L424 F452L424-P446 WeakPolarHBondContact O-CD 3.49Å; P446-F452 HydrophobicContact CB-CD1 4.37Å; P446-F452 HydrophobicContact CB-CE1 4.11Å
447K88.8Confident91.9Very high135 Ų13575.8 Ų75.859%0.58741%0.409SS*.EExtended strand (participates in β ladder)trans-123.586.8176.5-174.7178.8179.4173.60109.1D451K447-D451 PolarHBondContact N-O 2.88Å
448G83.3Confident91.8Very high69 Ų6969.3 Ų69.371%0.71139%0.385SS*.THydrogen-bonded Turntrans84.6-144-174.600000111.9
449T76.5Confident91.4Very high136 Ų13673 Ų7383%0.83440%0.399SS*.THydrogen-bonded Turntrans-85.2-43.7-169.8-53.80000113.7
450D77.9Confident91.2Very high140 Ų14077.3 Ų77.375%0.74942%0.416SS*.THydrogen-bonded Turntrans-131.42.5-169.9-65.2-48.2000114.5
451D90.6Very high91.1Very high115 Ų11576 Ų7662%0.61541%0.409SS*.EExtended strand (participates in β ladder)trans-105.9147.8-179.7-72-32.3000111.6K447K447-D451 PolarHBondContact N-O 2.88Å
452F93.3Very high91Very high90 Ų9082.2 Ų82.240%0.39544%0.435SS..EExtended strand (participates in β ladder)trans-121.7139.2173.4-69.8-89.4000110.7F423 L444 I445 P446F423-F452 HydrophobicContact CD1-CD1 4.26Å; F423-F452 HydrophobicContact CD1-CE1 4.16Å; F423-F452 HydrophobicContact CD1-CE2 4.43Å; F423-F452 HydrophobicContact CD1-CG 4.45Å; F423-F452 HydrophobicContact CD1-CZ 4.25Å; L444-F452 HydrophobicContact CB-CB 4.19Å; L444-F452 HydrophobicContact CB-CD1 4.03Å; L444-F452 HydrophobicContact CB-CG 4.36Å; L444-F452 HydrophobicContact CD2-CB 4.22Å; I445-F452 CarbonylContact O-C 3.52Å; I445-F452 WeakPolarHBondContact O-CA 3.34Å; P446-F452 HydrophobicContact CB-CD1 4.37Å; P446-F452 HydrophobicContact CB-CE1 4.11Å
453E93.8Very high90.9Very high92 Ų9284.2 Ų84.243%0.4345%0.449SS..EExtended strand (participates in β ladder)trans-95.8123.7167.1-167.8170.2-171.100109L444 I445 F455L444-E453 WeakPolarHBondContact CA-O 3.46Å; I445-E453 PolarHBondContact N-O 3.27Å; I445-E453 PolarHBondContact O-N 3.47Å; E453-F455 HydrophobicContact CB-CE2 3.85Å; E453-F455 HydrophobicContact CB-CZ 4.38Å; E453-F455 HydrophobicContact CG-CD2 4.38Å; E453-F455 HydrophobicContact CG-CE2 3.53Å; E453-F455 HydrophobicContact CG-CZ 3.61Å
454E94.1Very high90.8Very high104 Ų10486.9 Ų86.949%0.48646%0.464SS..EExtended strand (participates in β ladder)trans-97.3125-174.9-175.2172.1-161.700110.8N442 L444N442-E454 HydrophobicContact CB-CG 4.04Å; N442-E454 WeakPolarHBondContact CB-OE1 3.16Å; N442-E454 VanDerWaalsContact CG-OE1 3.31Å; N442-E454 PolarHBondContact ND2-OE1 3.08Å; L444-E454 HydrophobicContact CD2-CB 4.41Å; L444-E454 HydrophobicContact CD2-CG 4.44Å; L444-E454 HydrophobicContact CG-CB 4.43Å; L444-E454 HydrophobicContact CG-CG 4.28Å
455F94Very high90.7Very high98 Ų9892.7 Ų92.743%0.4349%0.489SS..EExtended strand (participates in β ladder)trans-118.8114.8177.6-64-87.3000109.6I443 I445 E453I443-F455 PolarHBondContact N-O 3.02Å; I443-F455 PolarHBondContact O-N 3.05Å; I445-F455 HydrophobicContact CB-CD2 4.46Å; I445-F455 HydrophobicContact CB-CE2 4.18Å; I445-F455 HydrophobicContact CG1-CD2 3.81Å; I445-F455 HydrophobicContact CG1-CE2 3.88Å; E453-F455 HydrophobicContact CB-CE2 3.85Å; E453-F455 HydrophobicContact CB-CZ 4.38Å; E453-F455 HydrophobicContact CG-CD2 4.38Å; E453-F455 HydrophobicContact CG-CE2 3.53Å; E453-F455 HydrophobicContact CG-CZ 3.61Å
456A93.3Very high90.5Very high73 Ų7394.8 Ų94.860%0.60350%0.503SS*.EExtended strand (participates in β ladder)trans-72.9131.7173.200000110.3N442N442-A456 WeakPolarHBondContact OD1-CA 3.18Å
457V93.3Very high90.4Very high25 Ų2596.2 Ų96.215%0.15252%0.523CS..PPolyproline II helixtrans-73128.2172.7179.30000108.2T435 V441 I443 E459T435-V457 HydrophobicContact CG2-CG1 4.23Å; V441-V457 HydrophobicContact CB-CB 4.12Å; V441-V457 HydrophobicContact CB-CG2 4.1Å; V441-V457 HydrophobicContact CG1-CB 4.31Å; V441-V457 HydrophobicContact CG1-CG2 3.74Å; V441-V457 WeakPolarHBondContact O-CB 3.48Å; V441-V457 WeakPolarHBondContact O-CG2 3.23Å; V441-V457 PolarHBondContact O-N 3.01Å; I443-V457 HydrophobicContact CD1-CG2 3.68Å; I443-V457 HydrophobicContact CG1-CG2 3.85Å; V457-E459 PolarHBondContact O-N 2.64Å
458P91.9Very high90.5Very high43 Ų4399.8 Ų99.828%0.27954%0.538SS..PPolyproline II helixtrans-58.5135.6178.9-26.135000112.5F461 C474 D476P458-F461 WeakPolarHBondContact O-CE2 3.19Å; P458-F461 VanDerWaalsContact O-CZ 3.3Å; P458-F461 WeakPolarHBondContact O-CZ 3.46Å; P458-C474 HydrophobicContact CB-CB 3.88Å; P458-C474 HydrophobicContact CG-CB 4.16Å; P458-D476 HydrophobicContact CB-CB 4.34Å
459E87.2Confident90.9Very high100 Ų10097.8 Ų97.847%0.46752%0.517SS..  trans-112.2-29.3-179.5-68.4178.1-154.300112E440 V457 F461 D476E440-E459 WeakPolarHBondContact CA-OE1 3.49Å; E440-E459 PolarHBondContact N-OE1 3.48Å; V457-E459 PolarHBondContact O-N 2.64Å; E459-F461 WeakPolarHBondContact O-CD2 3.12Å; E459-D476 PolarHBondContact N-OD2 3.44Å
460Q89.3Confident91.7Very high121 Ų12197.5 Ų97.557%0.56551%0.51SS*.  trans-94.9118178.7-165.3173.74600111.2S475 D476Q460-S475 WeakPolarHBondContact O-CB 3.46Å; Q460-S475 PolarHBondContact O-N 3.16Å; Q460-S475 PolarHBondContact O-OG 3.27Å; Q460-D476 VanDerWaalsContact CB-OD2 3.27Å; Q460-D476 WeakPolarHBondContact CB-OD2 3.46Å; Q460-D476 PolarHBondContact N-OD2 3.31Å
461F92.5Very high92.5Very high104 Ų10497 Ų9746%0.45650%0.501SS..EExtended strand (participates in β ladder)trans-113.1131.2177.2-59.3-89.6000111.3P458 E459 T472 V473 C474P458-F461 WeakPolarHBondContact O-CE2 3.19Å; P458-F461 VanDerWaalsContact O-CZ 3.3Å; P458-F461 WeakPolarHBondContact O-CZ 3.46Å; E459-F461 WeakPolarHBondContact O-CD2 3.12Å; F461-T472 HydrophobicContact CB-CG2 3.6Å; F461-T472 HydrophobicContact CD1-CG2 4.08Å; F461-T472 HydrophobicContact CG-CG2 4.15Å; F461-V473 CarbonylContact C-O 3.45Å; F461-V473 WeakPolarHBondContact CA-O 3.36Å; F461-C474 VanDerWaalsContact CE1-SG 3.51Å
462K92.7Very high92.6Very high134 Ų13495.3 Ų95.358%0.58350%0.495SS*.EExtended strand (participates in β ladder)trans-90.2110.2170.8-177.4179.1-179.2175.10108.9T472 V473 S475K462-T472 WeakPolarHBondContact O-CA 3.24Å; K462-V473 HydrophobicContact CB-CG2 3.97Å; K462-V473 PolarHBondContact N-O 2.72Å; K462-V473 PolarHBondContact O-N 3.21Å; K462-S475 PolarHBondContact N-OG 3.29Å
463T93.9Very high92.6Very high79 Ų7994.1 Ų94.149%0.48550%0.495SS..EExtended strand (participates in β ladder)trans-101.2124.8175.5-55.60000110L470 K471 T472T463-L470 HydrophobicContact CG2-CB 4.19Å; T463-L470 HydrophobicContact CG2-CD2 4.1Å; T463-L470 HydrophobicContact CG2-CG 4.5Å; T463-K471 WeakPolarHBondContact CA-O 3.25Å; T463-T472 PolarHBondContact OG1-OG1 3.46Å
464N95.2Very high92.4Very high88 Ų8892.2 Ų92.247%0.47149%0.491SS..EExtended strand (participates in β ladder)trans-125.5138.7177.1-177.8-71.7000110.7K471N464-K471 PolarHBondContact N-O 3.04Å; N464-K471 PolarHBondContact O-N 3.38Å
465F95.5Very high91.8Very high137 Ų13789.8 Ų89.860%0.60149%0.486SS*.EExtended strand (participates in β ladder)trans-85.8112.6171.8-177.7-110.5000110.7G467 L470F465-G467 VanDerWaalsContact C-N 3.28Å; F465-G467 PolarHBondContact O-N 3.04Å; F465-L470 HydrophobicContact CB-CD2 4.18Å; F465-L470 HydrophobicContact CD2-CD2 4.07Å
466T90.7Very high90.8Very high82 Ų8288.8 Ų88.850%0.50349%0.485SS..  trans-87.212.9-174.2600000113.9K468 G469 K471T466-K468 PolarHBondContact O-N 2.85Å; T466-K468 VanDerWaalsContact O-N 3.17Å; T466-G469 PolarHBondContact N-O 3.4Å; T466-G469 PolarHBondContact OG1-O 2.96Å; T466-K471 HydrophobicContact CG2-CB 3.68Å; T466-K471 HydrophobicContact CG2-CD 4.41Å
467G90.1Very high89Confident56 Ų5689.4 Ų89.458%0.57749%0.485SS*.SBendtrans80.7-25.5-173.600000114.5F465F465-G467 VanDerWaalsContact C-N 3.28Å; F465-G467 PolarHBondContact O-N 3.04Å
468K91.7Very high86.9Confident210 Ų210103.3 Ų103.391%0.91354%0.535SS*.SBendtrans-107-14.5173.6-65.7-174-179.9-178.30114.1T466T466-K468 PolarHBondContact O-N 2.85Å; T466-K468 VanDerWaalsContact O-N 3.17Å
469G92.1Very high86.6Confident26 Ų26106.4 Ų106.427%0.26855%0.547SS..SBendtrans168.4-180-176.100000112.3T466T466-G469 PolarHBondContact N-O 3.4Å; T466-G469 PolarHBondContact OG1-O 2.96Å
470L93.8Very high86.6Confident131 Ų131106.7 Ų106.769%0.68655%0.552SS**EExtended strand (participates in β ladder)trans-83.5132.4176.4-60.4175000109.9T463 F465T463-L470 HydrophobicContact CG2-CB 4.19Å; T463-L470 HydrophobicContact CG2-CD2 4.1Å; T463-L470 HydrophobicContact CG2-CG 4.5Å; F465-L470 HydrophobicContact CB-CD2 4.18Å; F465-L470 HydrophobicContact CD2-CD2 4.07Å
471K94.1Very high86.4Confident130 Ų130105.9 Ų105.957%0.56555%0.551SS**EExtended strand (participates in β ladder)trans-112.4119.4167.3-178.7-180179.9-179.50107.8T463 N464 T466 V473T463-K471 WeakPolarHBondContact CA-O 3.25Å; N464-K471 PolarHBondContact N-O 3.04Å; N464-K471 PolarHBondContact O-N 3.38Å; T466-K471 HydrophobicContact CG2-CB 3.68Å; T466-K471 HydrophobicContact CG2-CD 4.41Å; K471-V473 HydrophobicContact CG-CG1 4.41Å
472T93.3Very high86.1Confident78 Ų78106 Ų10648%0.47956%0.556SS.*EExtended strand (participates in β ladder)trans-111128.6178-55.30000109F461 K462 T463F461-T472 HydrophobicContact CB-CG2 3.6Å; F461-T472 HydrophobicContact CD1-CG2 4.08Å; F461-T472 HydrophobicContact CG-CG2 4.15Å; K462-T472 WeakPolarHBondContact O-CA 3.24Å; T463-T472 PolarHBondContact OG1-OG1 3.46Å
473V91.8Very high85.7Confident66 Ų66104.3 Ų104.340%0.456%0.555SS.*EExtended strand (participates in β ladder)trans-128.6146.6175.2-63.20000109.4F461 K462 K471 S475F461-V473 CarbonylContact C-O 3.45Å; F461-V473 WeakPolarHBondContact CA-O 3.36Å; K462-V473 HydrophobicContact CB-CG2 3.97Å; K462-V473 PolarHBondContact N-O 2.72Å; K462-V473 PolarHBondContact O-N 3.21Å; K471-V473 HydrophobicContact CG-CG1 4.41Å; V473-S475 PolarHBondContact O-N 2.84Å
474C89.9Confident85.1Confident51 Ų51105.9 Ų105.935%0.34556%0.559SS.*EExtended strand (participates in β ladder)trans-64131.9172-54.30000109.1P458 F461P458-C474 HydrophobicContact CB-CB 3.88Å; P458-C474 HydrophobicContact CG-CB 4.16Å; F461-C474 VanDerWaalsContact CE1-SG 3.51Å
475S82.1Confident84.4Confident53 Ų53107.2 Ų107.237%0.37157%0.566SS.*SBendtrans-85.3-28.3173.9-47.80000111Q460 K462 V473 S477Q460-S475 WeakPolarHBondContact O-CB 3.46Å; Q460-S475 PolarHBondContact O-N 3.16Å; Q460-S475 PolarHBondContact O-OG 3.27Å; K462-S475 PolarHBondContact N-OG 3.29Å; V473-S475 PolarHBondContact O-N 2.84Å; S475-S477 VanDerWaalsContact C-N 3.29Å; S475-S477 PolarHBondContact O-N 3.19Å
476D72.1Confident83.5Confident77 Ų77104.9 Ų104.941%0.41256%0.563SS.*  trans-85.78-174.2-57.2-31.5000114.2P458 E459 Q460 R478P458-D476 HydrophobicContact CB-CB 4.34Å; E459-D476 PolarHBondContact N-OD2 3.44Å; Q460-D476 VanDerWaalsContact CB-OD2 3.27Å; Q460-D476 WeakPolarHBondContact CB-OD2 3.46Å; Q460-D476 PolarHBondContact N-OD2 3.31Å; D476-R478 PolarHBondContact O-N 3.45Å
477S56.2Low82.9Confident86 Ų86106.8 Ų106.860%0.60157%0.568SS**  trans-66.1101.3175.8550000109.6S475S475-S477 VanDerWaalsContact C-N 3.29Å; S475-S477 PolarHBondContact O-N 3.19Å
478R48Very low82.3Confident318 Ų318111.5 Ų111.5100%1.257%0.567SS**  trans-69.60156-89.5-171.4176.9176.11.3110.5D476D476-R478 PolarHBondContact O-N 3.45Å

Retrieved 478 of 478 residues in 213.2 ms (Link to these results)

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