A0A077ZK48_TRITR Loading...

DUF1308 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZK48, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 314 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
1M37.7Very low38.1Very low249 Ų249153.8 Ų153.8100%1.22778%0.782SS**  093.20-83.6173.4163.400108.4
2Q30.6Very low38.3Very low197 Ų197153.2 Ų153.292%0.92177%0.773SS**  trans-95.1111172.9-80.3177.4-6.100107.8K4Q2-K4 PolarHBondContact O-N 3.5Å
3A33.9Very low38.3Very low101 Ų101152.9 Ų152.984%0.83577%0.768SS**  trans-67.4115.7171.900000108.4S5A3-S5 PolarHBondContact O-N 3.01Å; A3-S5 VanDerWaalsContact O-N 3.14Å
4K35.3Very low38.3Very low194 Ų194146.9 Ų146.984%0.84375%0.754SS**  trans-60.5112.4173.2-80.2177.5172.8177.30109Q2 F6Q2-K4 PolarHBondContact O-N 3.5Å; K4-F6 VanDerWaalsContact C-N 3.27Å; K4-F6 HydrophobicContact CB-CB 4.5Å; K4-F6 PolarHBondContact O-N 3.48Å
5S38.1Very low38.5Very low125 Ų125142.3 Ų142.387%0.87474%0.735SS**  trans-69.885.7163.863.40000108.9A3A3-S5 PolarHBondContact O-N 3.01Å; A3-S5 VanDerWaalsContact O-N 3.14Å
6F34.9Very low38.6Very low157 Ų157141.4 Ų141.469%0.68972%0.724SS**  trans-133.373.3179.8-154.9-84.3000107.6K4K4-F6 VanDerWaalsContact C-N 3.27Å; K4-F6 HydrophobicContact CB-CB 4.5Å; K4-F6 PolarHBondContact O-N 3.48Å
7N40.5Very low39.1Very low111 Ų111136.8 Ų136.859%0.59471%0.706SS**SBendtrans-160.8-13.6160.2-116.5-3.3000120.3
8D44.2Very low40.2Very low144 Ų144133.7 Ų133.777%0.7770%0.698SS**Hα-helixtrans-79.9-26.2-175.6-78.5-27.1000115.1
9R40.1Very low41.6Very low222 Ų222132 Ų13284%0.83869%0.69SS**Hα-helixtrans-76.1-27.5-178.7-65.2-172.5-168.5177.73.6113.5
10N43.8Very low43.1Very low86 Ų86129.5 Ų129.546%0.4668%0.677SS.*Hα-helixtrans-81.2-28.5-179.5-75.3-24.1000112.7Q13 A14N10-Q13 PolarHBondContact O-N 3.1Å; N10-A14 WeakPolarHBondContact O-CB 3.37Å; N10-A14 PolarHBondContact O-N 2.97Å
11L40.7Very low44.6Very low106 Ų106127.8 Ų127.856%0.55566%0.664SS**Hα-helixtrans-69.3-44.3175.9-109.7108.9000111.8Q13 A14 V15L11-Q13 PolarHBondContact O-N 3.1Å; L11-A14 PolarHBondContact O-N 3.17Å; L11-V15 WeakPolarHBondContact O-CB 3.32Å; L11-V15 WeakPolarHBondContact O-CG2 3.38Å; L11-V15 PolarHBondContact O-N 3.36Å
12H40Very low46.6Very low146 Ų146118.6 Ų118.668%0.67662%0.618SS**Hα-helixtrans-63.2-30.8177.3-109.2-85.6000112.8F16H12-F16 VanDerWaalsContact O-CD2 3.28Å; H12-F16 WeakPolarHBondContact O-CD2 3.39Å
13Q38.4Very low49.3Very low150 Ų150113.3 Ų113.370%0.70160%0.596SS**Hα-helixtrans-85.6-30.9178.5-139.9164.75.900112.5N10 L11 F16N10-Q13 PolarHBondContact O-N 3.1Å; L11-Q13 PolarHBondContact O-N 3.1Å; Q13-F16 PolarHBondContact O-N 3.14Å
14A38.6Very low51.9Low69 Ų69112.1 Ų112.157%0.5758%0.578SS**Hα-helixtrans-71.5-32.2173.800000113N10 L11 F16 C17N10-A14 WeakPolarHBondContact O-CB 3.37Å; N10-A14 PolarHBondContact O-N 2.97Å; L11-A14 PolarHBondContact O-N 3.17Å; A14-F16 PolarHBondContact O-N 2.85Å; A14-C17 PolarHBondContact O-N 2.96Å
15V40.6Very low54.4Low78 Ų78105.2 Ų105.247%0.47355%0.549SS..THydrogen-bonded Turntrans-70.8-16.7173.9173.80000111.9L11 C17 L20L11-V15 WeakPolarHBondContact O-CB 3.32Å; L11-V15 WeakPolarHBondContact O-CG2 3.38Å; L11-V15 PolarHBondContact O-N 3.36Å; V15-C17 VanDerWaalsContact C-N 3.33Å; V15-C17 PolarHBondContact O-N 3.33Å; V15-L20 HydrophobicContact CG1-CD2 3.82Å; V15-L20 WeakPolarHBondContact O-CD2 3.29Å
16F40.5Very low57Low128 Ų12899.6 Ų99.656%0.56151%0.509SS*.THydrogen-bonded Turntrans-91.920.4176.2-95.4-98.9000114H12 Q13 A14 S18H12-F16 VanDerWaalsContact O-CD2 3.28Å; H12-F16 WeakPolarHBondContact O-CD2 3.39Å; Q13-F16 PolarHBondContact O-N 3.14Å; A14-F16 PolarHBondContact O-N 2.85Å; F16-S18 PolarHBondContact O-N 3.2Å
17C47.6Very low59.7Low62 Ų6296.3 Ų96.342%0.41950%0.502SS..  trans-62.1130.7167.3-164.80000109.1A14 V15 N19 L20 K21A14-C17 PolarHBondContact O-N 2.96Å; V15-C17 VanDerWaalsContact C-N 3.33Å; V15-C17 PolarHBondContact O-N 3.33Å; C17-N19 PolarHBondContact O-N 2.95Å; C17-L20 PolarHBondContact O-N 3.18Å; C17-K21 PolarHBondContact O-N 3.47Å
18S58.3Low62.1Low81 Ų8195.4 Ų95.457%0.56650%0.496SS*.Hα-helixtrans-48.3-32.1179.946.50000113.2F16 K21 Q22F16-S18 PolarHBondContact O-N 3.2Å; S18-K21 PolarHBondContact O-N 3.4Å; S18-Q22 PolarHBondContact O-N 3.37Å
19N66.6Low64.4Low102 Ų10288.5 Ų88.555%0.54546%0.46SS..Hα-helixtrans-63.8-39.1177-64.4-11.8000113C17 Q22 L23C17-N19 PolarHBondContact O-N 2.95Å; N19-Q22 PolarHBondContact O-N 2.92Å; N19-L23 WeakPolarHBondContact O-CG 3.35Å; N19-L23 PolarHBondContact O-N 3.28Å
20L71.8Confident66.8Low81 Ų8179.1 Ų79.142%0.42443%0.428SS..Hα-helixtrans-68.9-40.5179.5-139.494.2000110.6V15 C17 Q22 L23 V24V15-L20 HydrophobicContact CG1-CD2 3.82Å; V15-L20 WeakPolarHBondContact O-CD2 3.29Å; C17-L20 PolarHBondContact O-N 3.18Å; L20-Q22 VanDerWaalsContact C-N 3.34Å; L20-Q22 PolarHBondContact O-N 3.39Å; L20-L23 PolarHBondContact O-N 2.97Å; L20-V24 VanDerWaalsContact O-CG2 3.3Å; L20-V24 WeakPolarHBondContact O-CG2 3.47Å; L20-V24 PolarHBondContact O-N 2.93Å
21K74.9Confident69Low95 Ų9581 Ų8141%0.41344%0.442SS..Hα-helixtrans-59.5-46.9174.1-66-175.7178.6-176.90110.9C17 S18 L23 V24 E25C17-K21 PolarHBondContact O-N 3.47Å; S18-K21 PolarHBondContact O-N 3.4Å; K21-L23 VanDerWaalsContact C-N 3.33Å; K21-L23 PolarHBondContact O-N 3.32Å; K21-V24 PolarHBondContact O-N 2.85Å; K21-E25 VanDerWaalsContact O-CG 3.26Å; K21-E25 WeakPolarHBondContact O-CG 3.33Å; K21-E25 PolarHBondContact O-N 3.19Å
22Q80Confident71.3Confident55 Ų5578.4 Ų78.426%0.25743%0.433SS..Hα-helixtrans-60-43.4177.6-172.5174.47.100111.9S18 N19 L20 E25 V26S18-Q22 PolarHBondContact O-N 3.37Å; N19-Q22 PolarHBondContact O-N 2.92Å; L20-Q22 VanDerWaalsContact C-N 3.34Å; L20-Q22 PolarHBondContact O-N 3.39Å; Q22-E25 PolarHBondContact O-N 3.33Å; Q22-V26 WeakPolarHBondContact O-CG2 3.39Å; Q22-V26 PolarHBondContact O-N 2.93Å
23L86.3Confident73.6Confident87 Ų8771.9 Ų71.946%0.45540%0.403SS..Hα-helixtrans-64.4-40.3176.9-73.7171000112.8N19 L20 K21 E25 V26 V27 L40N19-L23 WeakPolarHBondContact O-CG 3.35Å; N19-L23 PolarHBondContact O-N 3.28Å; L20-L23 PolarHBondContact O-N 2.97Å; K21-L23 VanDerWaalsContact C-N 3.33Å; K21-L23 PolarHBondContact O-N 3.32Å; L23-E25 VanDerWaalsContact C-N 3.3Å; L23-E25 PolarHBondContact O-N 2.88Å; L23-V26 PolarHBondContact O-N 3.47Å; L23-V27 WeakPolarHBondContact O-CG2 3.49Å; L23-V27 PolarHBondContact O-N 2.84Å; L23-L40 HydrophobicContact CD2-CD1 4.16Å
24V88.2Confident75.9Confident75 Ų7567.2 Ų67.246%0.45539%0.386SS..Hα-helixtrans-59.2-45.5173.9169.30000110.1L20 K21 V26 V27 L28L20-V24 VanDerWaalsContact O-CG2 3.3Å; L20-V24 WeakPolarHBondContact O-CG2 3.47Å; L20-V24 PolarHBondContact O-N 2.93Å; K21-V24 PolarHBondContact O-N 2.85Å; V24-V26 VanDerWaalsContact C-N 3.34Å; V24-V26 PolarHBondContact O-N 3.48Å; V24-V27 PolarHBondContact O-N 3.22Å; V24-V27 VanDerWaalsContact O-N 3.12Å; V24-L28 HydrophobicContact CG1-CD1 4.01Å; V24-L28 HydrophobicContact CG1-CG 4.29Å; V24-L28 WeakPolarHBondContact O-CG 3.26Å; V24-L28 PolarHBondContact O-N 2.85Å
25E89.3Confident78.4Confident50 Ų5067 Ų6723%0.23438%0.38CS..Hα-helixtrans-64.9-36.7178.7-68.9-64.4141.800112.8K21 Q22 L23 L28 T29 V66 C101K21-E25 VanDerWaalsContact O-CG 3.26Å; K21-E25 WeakPolarHBondContact O-CG 3.33Å; K21-E25 PolarHBondContact O-N 3.19Å; Q22-E25 PolarHBondContact O-N 3.33Å; L23-E25 VanDerWaalsContact C-N 3.3Å; L23-E25 PolarHBondContact O-N 2.88Å; E25-L28 PolarHBondContact O-N 3.14Å; E25-T29 WeakPolarHBondContact O-CB 3.26Å; E25-T29 PolarHBondContact O-N 2.79Å; E25-T29 PolarHBondContact O-OG1 3.09Å; E25-V66 HydrophobicContact CB-CG1 3.59Å; E25-C101 VanDerWaalsContact CB-SG 3.51Å; E25-C101 HydrophobicContact CG-CB 3.96Å; E25-C101 WeakPolarHBondContact CG-SG 3.38Å; E25-C101 PolarHBondContact OE2-SG 3.28Å
26V92Very high80.9Confident7 Ų765.8 Ų65.84%0.04237%0.373CS..Hα-helixtrans-59.5-49170172.40000110.3Q22 L23 V24 L28 T29 C30 D54 V55 V66Q22-V26 WeakPolarHBondContact O-CG2 3.39Å; Q22-V26 PolarHBondContact O-N 2.93Å; L23-V26 PolarHBondContact O-N 3.47Å; V24-V26 VanDerWaalsContact C-N 3.34Å; V24-V26 PolarHBondContact O-N 3.48Å; V26-L28 PolarHBondContact O-N 2.65Å; V26-T29 WeakPolarHBondContact O-CB 2.84Å; V26-T29 PolarHBondContact O-N 2.78Å; V26-C30 PolarHBondContact O-N 3.09Å; V26-C30 VanDerWaalsContact O-N 3.08Å; V26-C30 PolarHBondContact O-SG 2.95Å; V26-D54 HydrophobicContact CG1-CB 4.42Å; V26-D54 HydrophobicContact CG2-CB 3.86Å; V26-V55 HydrophobicContact CG1-CG2 3.93Å; V26-V66 HydrophobicContact CG2-CB 4.05Å; V26-V66 HydrophobicContact CG2-CG2 3.84Å
27V91.9Very high83.5Confident87 Ų8763.1 Ų63.153%0.52737%0.367SS..Hα-helixtrans-62.2-44.2179173.40000111.9L23 V24 T29 C30 V31L23-V27 WeakPolarHBondContact O-CG2 3.49Å; L23-V27 PolarHBondContact O-N 2.84Å; V24-V27 PolarHBondContact O-N 3.22Å; V24-V27 VanDerWaalsContact O-N 3.12Å; V27-T29 VanDerWaalsContact C-N 3.28Å; V27-T29 PolarHBondContact O-N 2.96Å; V27-C30 WeakPolarHBondContact O-CB 3.33Å; V27-C30 PolarHBondContact O-N 3.4Å; V27-C30 VanDerWaalsContact O-N 3.14Å; V27-V31 PolarHBondContact O-N 3.13Å
28L90.8Very high85.6Confident92 Ų9260.8 Ų60.848%0.48235%0.354SS..Hα-helixtrans-61.1-39.4176.4-69.9176.4000111.6V24 E25 V26 C30 V31 S32V24-L28 HydrophobicContact CG1-CD1 4.01Å; V24-L28 HydrophobicContact CG1-CG 4.29Å; V24-L28 WeakPolarHBondContact O-CG 3.26Å; V24-L28 PolarHBondContact O-N 2.85Å; E25-L28 PolarHBondContact O-N 3.14Å; V26-L28 PolarHBondContact O-N 2.65Å; L28-C30 VanDerWaalsContact C-N 3.31Å; L28-C30 PolarHBondContact O-N 3.45Å; L28-V31 PolarHBondContact O-N 3.05Å; L28-S32 PolarHBondContact O-N 3.45Å
29T91.5Very high87.4Confident0 Ų061.6 Ų61.60%035%0.351CS..Hα-helixtrans-58.2-45.5174.6-58.50000110.7E25 V26 V27 V31 S32 V33 V55 I64 R99E25-T29 WeakPolarHBondContact O-CB 3.26Å; E25-T29 PolarHBondContact O-N 2.79Å; E25-T29 PolarHBondContact O-OG1 3.09Å; V26-T29 WeakPolarHBondContact O-CB 2.84Å; V26-T29 PolarHBondContact O-N 2.78Å; V27-T29 VanDerWaalsContact C-N 3.28Å; V27-T29 PolarHBondContact O-N 2.96Å; T29-V31 VanDerWaalsContact C-N 3.28Å; T29-V31 PolarHBondContact O-N 3.48Å; T29-S32 PolarHBondContact O-N 3.24Å; T29-S32 PolarHBondContact O-OG 3.32Å; T29-V33 WeakPolarHBondContact O-CG2 3.41Å; T29-V33 PolarHBondContact O-N 3.26Å; T29-V55 HydrophobicContact CG2-CG2 4.05Å; T29-I64 HydrophobicContact CG2-CB 4.49Å; T29-I64 HydrophobicContact CG2-CD1 4.04Å; T29-I64 HydrophobicContact CG2-CG2 3.92Å; T29-R99 VanDerWaalsContact OG1-CD 3.32Å; T29-R99 WeakPolarHBondContact OG1-CD 3.42Å
30C91.4Very high88.7Confident24 Ų2460.9 Ų60.916%0.16235%0.347CS..Hα-helixtrans-60.6-35.5179.7-56.80000113.7V26 V27 L28 S32 V33 V36 L39 V55V26-C30 PolarHBondContact O-N 3.09Å; V26-C30 VanDerWaalsContact O-N 3.08Å; V26-C30 PolarHBondContact O-SG 2.95Å; V27-C30 WeakPolarHBondContact O-CB 3.33Å; V27-C30 PolarHBondContact O-N 3.4Å; V27-C30 VanDerWaalsContact O-N 3.14Å; L28-C30 VanDerWaalsContact C-N 3.31Å; L28-C30 PolarHBondContact O-N 3.45Å; C30-S32 VanDerWaalsContact C-N 3.29Å; C30-V33 VanDerWaalsContact O-O 3.13Å; C30-V36 HydrophobicContact CB-CG2 4.33Å; C30-L39 HydrophobicContact CB-CD2 4.39Å; C30-L39 WeakPolarHBondContact SG-CD2 3.47Å; C30-V55 VanDerWaalsContact SG-CG2 3.52Å
31V90.2Very high89.8Confident127 Ų12760.9 Ų60.977%0.7734%0.343SS*.Hα-helixtrans-73.3-27.3177.7-179.90000110.9V27 L28 T29V27-V31 PolarHBondContact O-N 3.13Å; L28-V31 PolarHBondContact O-N 3.05Å; T29-V31 VanDerWaalsContact C-N 3.28Å; T29-V31 PolarHBondContact O-N 3.48Å
32S87.7Confident90.8Very high50 Ų5059.7 Ų59.735%0.3534%0.344SS..Hα-helixtrans-87.1-8.1-177.973.60000115.3L28 T29 C30 R99L28-S32 PolarHBondContact O-N 3.45Å; T29-S32 PolarHBondContact O-N 3.24Å; T29-S32 PolarHBondContact O-OG 3.32Å; C30-S32 VanDerWaalsContact C-N 3.29Å; S32-R99 PolarHBondContact OG-NH1 2.95Å
33V89.3Confident91.5Very high9 Ų958.5 Ų58.56%0.05534%0.338CS..SBendtrans-126.3142-178.8-58.90000110.9T29 C30 V36 V55 A57 I64 W154T29-V33 WeakPolarHBondContact O-CG2 3.41Å; T29-V33 PolarHBondContact O-N 3.26Å; C30-V33 VanDerWaalsContact O-O 3.13Å; V33-V36 HydrophobicContact CG2-CG2 3.72Å; V33-V55 HydrophobicContact CG2-CG1 4.3Å; V33-A57 HydrophobicContact CB-CB 4.21Å; V33-A57 HydrophobicContact CG2-CB 3.66Å; V33-I64 HydrophobicContact CB-CD1 4.41Å; V33-I64 HydrophobicContact CG1-CD1 3.83Å; V33-I64 HydrophobicContact CG2-CD1 4.07Å; V33-W154 HydrophobicContact CG1-CH2 4.42Å
34P86.9Confident91.7Very high53 Ų5358.2 Ų58.234%0.34434%0.337SS..SBendtrans-83.3161.3-176.435.5-37.4000112.3V36 N58 W156P34-V36 VanDerWaalsContact C-N 3.31Å; P34-V36 PolarHBondContact O-N 2.9Å; P34-N58 PolarHBondContact O-N 2.63Å; P34-W156 HydrophobicContact CB-CZ2 4.47Å; P34-W156 VanDerWaalsContact CD-CZ2 3.43Å; P34-W156 VanDerWaalsContact CD-NE1 3.25Å; P34-W156 HydrophobicContact CG-CD2 4.11Å; P34-W156 HydrophobicContact CG-CH2 3.86Å; P34-W156 HydrophobicContact CG-CZ2 3.01Å; P34-W156 VanDerWaalsContact CG-NE1 3.25Å
35S90.1Very high91.7Very high64 Ų6455.8 Ų55.845%0.44832%0.321SS..SBendtrans52.247.7170.9-57.60000113.2T37 N58 N59S35-T37 PolarHBondContact O-N 3.47Å; S35-N58 PolarHBondContact O-N 3.5Å; S35-N59 PolarHBondContact O-N 3.18Å
36V94.1Very high91.3Very high52 Ų5258.3 Ų58.332%0.31533%0.329SS..  trans-65.1126.9172.6178.80000109.3C30 V33 P34 L39 V55 V56C30-V36 HydrophobicContact CB-CG2 4.33Å; V33-V36 HydrophobicContact CG2-CG2 3.72Å; P34-V36 VanDerWaalsContact C-N 3.31Å; P34-V36 PolarHBondContact O-N 2.9Å; V36-L39 HydrophobicContact CG1-CD2 3.82Å; V36-V55 HydrophobicContact CG1-CG1 3.95Å; V36-V55 HydrophobicContact CG2-CG1 4.08Å; V36-V56 WeakPolarHBondContact CA-O 3.37Å
37T94Very high91.1Very high72 Ų7265 Ų6544%0.44236%0.364SS..  trans-118.5-5.7-177.254.50000113.3S35 V56S35-T37 PolarHBondContact O-N 3.47Å; T37-V56 PolarHBondContact N-O 3.23Å; T37-V56 PolarHBondContact OG1-O 2.89Å
38G93.1Very high90.8Very high14 Ų1462.8 Ų62.814%0.14436%0.359CS..EExtended strand (participates in β ladder)trans-167.6144.4177.200000112.8V56G38-V56 PolarHBondContact N-O 3.5Å; G38-V56 PolarHBondContact O-N 3.4Å
39L95Very high90.7Very high98 Ų9861.5 Ų61.551%0.51336%0.355SS..EExtended strand (participates in β ladder)trans-120.9137.9173.8-57.6-177000109C30 V36 K41 D54 V55C30-L39 HydrophobicContact CB-CD2 4.39Å; C30-L39 WeakPolarHBondContact SG-CD2 3.47Å; V36-L39 HydrophobicContact CG1-CD2 3.82Å; L39-K41 PolarHBondContact O-N 3.35Å; L39-K41 VanDerWaalsContact O-N 3.11Å; L39-D54 CarbonylContact C-O 3.58Å; L39-D54 WeakPolarHBondContact CA-O 3.42Å; L39-V55 HydrophobicContact CD2-CG1 4.31Å; L39-V55 HydrophobicContact CD2-CG2 4.25Å
40L94.2Very high90.8Very high86 Ų8665.5 Ų65.545%0.4538%0.38SS..EExtended strand (participates in β ladder)trans47.241.5-179.6-58.2172000111.8L23 I52 V53 D54L23-L40 HydrophobicContact CD2-CD1 4.16Å; L40-I52 HydrophobicContact CB-CG2 4.28Å; L40-I52 HydrophobicContact CD2-CG2 4.37Å; L40-V53 CarbonylContact C-O 3.55Å; L40-V53 WeakPolarHBondContact CA-O 3.48Å; L40-V53 PolarHBondContact N-O 2.93Å; L40-D54 PolarHBondContact N-O 2.78Å
41K95.4Very high91Very high81 Ų8164.7 Ų64.735%0.35238%0.375SS..EExtended strand (participates in β ladder)trans-81130.2-171.4-173.6168.9179.8173.40109.9L39 F43 V53 V56L39-K41 PolarHBondContact O-N 3.35Å; L39-K41 VanDerWaalsContact O-N 3.11Å; K41-F43 HydrophobicContact CB-CE2 3.96Å; K41-F43 HydrophobicContact CD-CE2 3.92Å; K41-F43 HydrophobicContact CD-CZ 3.72Å; K41-F43 HydrophobicContact CG-CD2 4.37Å; K41-F43 HydrophobicContact CG-CE2 3.74Å; K41-F43 HydrophobicContact CG-CZ 4.02Å; K41-V53 PolarHBondContact N-O 2.55Å; K41-V53 PolarHBondContact O-N 3.48Å; K41-V56 HydrophobicContact CB-CG2 4.1Å; K41-V56 HydrophobicContact CD-CG2 4.2Å
42V95.6Very high91.2Very high71 Ų7163 Ų6343%0.4336%0.36SS..EExtended strand (participates in β ladder)trans-84.5128.3176.9-174.10000110.2L44 P50 L51 I52V42-L44 HydrophobicContact CG1-CD2 4.44Å; V42-P50 HydrophobicContact CG1-CB 3.81Å; V42-L51 WeakPolarHBondContact CA-O 3.36Å; V42-I52 HydrophobicContact CG2-CG1 4.21Å
43F94.7Very high91.6Very high30 Ų3060.6 Ų60.613%0.13234%0.343CS..EExtended strand (participates in β ladder)trans-116154.7167.3-65.9-91.1000109.5K41 P50 L51 V53 V56 W63 T83 N87K41-F43 HydrophobicContact CB-CE2 3.96Å; K41-F43 HydrophobicContact CD-CE2 3.92Å; K41-F43 HydrophobicContact CD-CZ 3.72Å; K41-F43 HydrophobicContact CG-CD2 4.37Å; K41-F43 HydrophobicContact CG-CE2 3.74Å; K41-F43 HydrophobicContact CG-CZ 4.02Å; F43-P50 CarbonylContact O-C 3.59Å; F43-P50 WeakPolarHBondContact O-CA 3.16Å; F43-L51 PolarHBondContact N-O 2.91Å; F43-L51 PolarHBondContact O-N 2.73Å; F43-V53 HydrophobicContact CD2-CB 4.14Å; F43-V53 HydrophobicContact CD2-CG2 3.55Å; F43-V53 HydrophobicContact CE2-CB 4.03Å; F43-V53 HydrophobicContact CE2-CG2 3.8Å; F43-V56 HydrophobicContact CE2-CG2 3.78Å; F43-V56 HydrophobicContact CZ-CG2 4Å; F43-W63 HydrophobicContact CB-CH2 3.83Å; F43-W63 HydrophobicContact CB-CZ2 4.45Å; F43-W63 HydrophobicContact CB-CZ3 4.46Å; F43-W63 AromaticContact CD1-CH2 3.71Å; F43-W63 HydrophobicContact CD1-CH2 3.71Å; F43-W63 AromaticContact CD1-CZ2 3.47Å; F43-W63 HydrophobicContact CD1-CZ2 3.47Å; F43-W63 VanDerWaalsContact CD1-CZ2 3.47Å; F43-W63 AromaticContact CD2-CH2 3.86Å; F43-W63 HydrophobicContact CD2-CH2 3.86Å; F43-W63 AromaticContact CD2-CZ2 3.86Å; F43-W63 HydrophobicContact CD2-CZ2 3.86Å; F43-W63 HydrophobicContact CD2-CZ3 4.34Å; F43-W63 HydrophobicContact CE1-CH2 4.17Å; F43-W63 AromaticContact CE1-CZ2 3.45Å; F43-W63 HydrophobicContact CE1-CZ2 3.45Å; F43-W63 VanDerWaalsContact CE1-CZ2 3.45Å; F43-W63 AromaticContact CE2-CE2 3.93Å; F43-W63 HydrophobicContact CE2-CH2 4.31Å; F43-W63 AromaticContact CE2-CZ2 3.84Å; F43-W63 HydrophobicContact CE2-CZ2 3.84Å; F43-W63 AromaticContact CG-CH2 3.51Å; F43-W63 HydrophobicContact CG-CH2 3.51Å; F43-W63 AromaticContact CG-CZ2 3.66Å; F43-W63 HydrophobicContact CG-CZ2 3.66Å; F43-W63 HydrophobicContact CG-CZ3 4.31Å; F43-W63 AromaticContact CZ-CE2 3.81Å; F43-W63 HydrophobicContact CZ-CH2 4.44Å; F43-W63 AromaticContact CZ-CZ2 3.63Å; F43-W63 HydrophobicContact CZ-CZ2 3.63Å; F43-W63 AromaticContact CZ-NE1 3.88Å; F43-T83 HydrophobicContact CB-CG2 3.93Å; F43-N87 HydrophobicContact CD1-CB 3.95Å
44L91.3Very high91.9Very high81 Ų8160.3 Ų60.342%0.42434%0.342SS..EExtended strand (participates in β ladder)trans-113.4134.3177.5-57.6-179.9000108.6V42 V49 P50 N87V42-L44 HydrophobicContact CG1-CD2 4.44Å; L44-V49 WeakPolarHBondContact CA-O 3.47Å; L44-P50 HydrophobicContact CD2-CB 4.02Å; L44-N87 PolarHBondContact O-ND2 2.69Å
45D86.9Confident92.4Very high24 Ų2457.8 Ų57.813%0.12833%0.325CS..  trans-73.5-164.6171.372.57.5000112.1D47 G48 V49 T83D45-D47 VanDerWaalsContact C-N 3.31Å; D45-D47 PolarHBondContact O-N 3.28Å; D45-D47 WeakPolarHBondContact OD1-CA 3.42Å; D45-D47 PolarHBondContact OD1-N 3.4Å; D45-G48 PolarHBondContact O-N 3.15Å; D45-G48 PolarHBondContact OD1-N 2.63Å; D45-V49 PolarHBondContact N-O 2.82Å; D45-V49 VanDerWaalsContact N-O 3.07Å; D45-V49 PolarHBondContact OD1-N 3.13Å; D45-V49 VanDerWaalsContact OD2-CB 3.31Å; D45-V49 WeakPolarHBondContact OD2-CB 3.18Å; D45-T83 HydrophobicContact CB-CG2 4.35Å
46R82.2Confident92.7Very high103 Ų10354.9 Ų54.939%0.38931%0.305SS..SBendtrans-68.2-32-179.4-57.4-173173.6178.2-2.3112.8G48 S86 R308 L310R46-G48 VanDerWaalsContact C-N 3.34Å; R46-S86 WeakPolarHBondContact CG-OG 3.39Å; R46-S86 PolarHBondContact NE-OG 2.68Å; R46-S86 VanDerWaalsContact NE-OG 3.12Å; R46-R308 PolarHBondContact NH2-O 2.66Å; R46-L310 HydrophobicContact CG-CD1 4.41Å
47D86.8Confident92.7Very high147 Ų14752.4 Ų52.479%0.78629%0.29SS*.SBendtrans-93.2-2.1-176.2-59.7-45.6000111.7D45 V49D45-D47 VanDerWaalsContact C-N 3.31Å; D45-D47 PolarHBondContact O-N 3.28Å; D45-D47 WeakPolarHBondContact OD1-CA 3.42Å; D45-D47 PolarHBondContact OD1-N 3.4Å; D47-V49 HydrophobicContact CB-CG2 4.38Å
48G86.3Confident92.5Very high41 Ų4150.4 Ų50.442%0.42328%0.276SS..  trans8712.6178.100000113.4D45 R46D45-G48 PolarHBondContact O-N 3.15Å; D45-G48 PolarHBondContact OD1-N 2.63Å; R46-G48 VanDerWaalsContact C-N 3.34Å
49V88.5Confident92.3Very high65 Ų6553.3 Ų53.339%0.39429%0.289SS..  trans-72.8129.7177.1-172.70000108.9L44 D45 D47L44-V49 WeakPolarHBondContact CA-O 3.47Å; D45-V49 PolarHBondContact N-O 2.82Å; D45-V49 VanDerWaalsContact N-O 3.07Å; D45-V49 PolarHBondContact OD1-N 3.13Å; D45-V49 VanDerWaalsContact OD2-CB 3.31Å; D45-V49 WeakPolarHBondContact OD2-CB 3.18Å; D47-V49 HydrophobicContact CB-CG2 4.38Å
50P93Very high92.1Very high83 Ų8349 Ų4954%0.53927%0.268SS..EExtended strand (participates in β ladder)trans-77.6134.7-18030.5-33.8000112V42 F43 L44V42-P50 HydrophobicContact CG1-CB 3.81Å; F43-P50 CarbonylContact O-C 3.59Å; F43-P50 WeakPolarHBondContact O-CA 3.16Å; L44-P50 HydrophobicContact CD2-CB 4.02Å
51L95Very high92Very high8 Ų845.9 Ų45.94%0.04226%0.255CS..EExtended strand (participates in β ladder)trans-119.4130.6168.1-176.269.4000109.7V42 F43 W63 Q79 F80 T83V42-L51 WeakPolarHBondContact CA-O 3.36Å; F43-L51 PolarHBondContact N-O 2.91Å; F43-L51 PolarHBondContact O-N 2.73Å; L51-W63 HydrophobicContact CD2-CZ3 4.37Å; L51-Q79 HydrophobicContact CD1-CG 4.11Å; L51-F80 HydrophobicContact CD1-CD2 3.87Å; L51-F80 HydrophobicContact CD1-CE2 3.65Å; L51-F80 HydrophobicContact CD1-CZ 4.26Å; L51-F80 HydrophobicContact CD2-CB 4.35Å; L51-F80 HydrophobicContact CD2-CD1 3.96Å; L51-F80 HydrophobicContact CD2-CD2 3.82Å; L51-F80 HydrophobicContact CD2-CE1 4.16Å; L51-F80 HydrophobicContact CD2-CE2 4.02Å; L51-F80 HydrophobicContact CD2-CG 3.78Å; L51-F80 HydrophobicContact CD2-CZ 4.15Å; L51-F80 HydrophobicContact CG-CD2 4.32Å; L51-F80 HydrophobicContact CG-CE2 4.09Å; L51-F80 HydrophobicContact CG-CZ 4.26Å; L51-T83 HydrophobicContact CB-CG2 3.94Å; L51-T83 HydrophobicContact CD2-CG2 3.87Å
52I95.4Very high92Very high90 Ų9042 Ų4246%0.46224%0.238SC..EExtended strand (participates in β ladder)trans-96.1117.3176.2-58174.9000109.2L40 V42L40-I52 HydrophobicContact CB-CG2 4.28Å; L40-I52 HydrophobicContact CD2-CG2 4.37Å; V42-I52 HydrophobicContact CG2-CG1 4.21Å
53V96.5Very high92.1Very high0 Ų038.8 Ų38.80%022%0.218CC..EExtended strand (participates in β ladder)trans-95.5125.2172.7178.70000108.8L40 K41 F43 V55 V56 W63 F80L40-V53 CarbonylContact C-O 3.55Å; L40-V53 WeakPolarHBondContact CA-O 3.48Å; L40-V53 PolarHBondContact N-O 2.93Å; K41-V53 PolarHBondContact N-O 2.55Å; K41-V53 PolarHBondContact O-N 3.48Å; F43-V53 HydrophobicContact CD2-CB 4.14Å; F43-V53 HydrophobicContact CD2-CG2 3.55Å; F43-V53 HydrophobicContact CE2-CB 4.03Å; F43-V53 HydrophobicContact CE2-CG2 3.8Å; V53-V55 WeakPolarHBondContact CG1-O 3.12Å; V53-V56 HydrophobicContact CB-CG2 4.24Å; V53-V56 HydrophobicContact CG1-CG2 3.78Å; V53-W63 HydrophobicContact CG1-CB 3.7Å; V53-W63 HydrophobicContact CG1-CD2 4.38Å; V53-W63 HydrophobicContact CG1-CG 3.96Å; V53-W63 HydrophobicContact CG2-CB 4.47Å; V53-W63 HydrophobicContact CG2-CD2 3.79Å; V53-W63 HydrophobicContact CG2-CE3 3.47Å; V53-W63 VanDerWaalsContact CG2-CE3 3.47Å; V53-W63 HydrophobicContact CG2-CG 4.24Å; V53-W63 HydrophobicContact CG2-CZ3 3.91Å; V53-F80 HydrophobicContact CB-CE1 4.49Å; V53-F80 HydrophobicContact CG2-CE1 3.88Å; V53-F80 HydrophobicContact CG2-CZ 4.43Å
54D95.6Very high92.2Very high4 Ų437.4 Ų37.42%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-69.7-45.1-172.5-58.4-27.4000111.8V26 L39 L40 I64 K65 V66V26-D54 HydrophobicContact CG1-CB 4.42Å; V26-D54 HydrophobicContact CG2-CB 3.86Å; L39-D54 CarbonylContact C-O 3.58Å; L39-D54 WeakPolarHBondContact CA-O 3.42Å; L40-D54 PolarHBondContact N-O 2.78Å; D54-I64 PolarHBondContact N-O 2.98Å; D54-K65 VanDerWaalsContact CG-NZ 3.31Å; D54-K65 IonicContact OD1-NZ 3.66Å; D54-K65 PolarHBondContact OD1-NZ 3.41Å; D54-K65 VanDerWaalsContact OD2-CD 3.26Å; D54-K65 WeakPolarHBondContact OD2-CD 3.49Å; D54-K65 WeakPolarHBondContact OD2-CE 3.35Å; D54-K65 IonicContact OD2-NZ 2.65Å; D54-K65 PolarHBondContact OD2-NZ 3.11Å; D54-V66 HydrophobicContact CB-CG2 4.39Å; D54-V66 PolarHBondContact OD2-N 2.86Å
55V96.7Very high92.3Very high0 Ų034.6 Ų34.60%020%0.196CC..EExtended strand (participates in β ladder)trans-135.1132.1176-173.50000110.5V26 T29 C30 V33 V36 L39 V53 I64V26-V55 HydrophobicContact CG1-CG2 3.93Å; T29-V55 HydrophobicContact CG2-CG2 4.05Å; C30-V55 VanDerWaalsContact SG-CG2 3.52Å; V33-V55 HydrophobicContact CG2-CG1 4.3Å; V36-V55 HydrophobicContact CG1-CG1 3.95Å; V36-V55 HydrophobicContact CG2-CG1 4.08Å; L39-V55 HydrophobicContact CD2-CG1 4.31Å; L39-V55 HydrophobicContact CD2-CG2 4.25Å; V53-V55 WeakPolarHBondContact CG1-O 3.12Å; V55-I64 HydrophobicContact CB-CB 4.19Å; V55-I64 PolarHBondContact N-O 2.57Å; V55-I64 VanDerWaalsContact N-O 3.1Å; V55-I64 PolarHBondContact O-N 3.48Å
56V96.7Very high92.6Very high2 Ų233.5 Ų33.51%0.01219%0.19CC..EExtended strand (participates in β ladder)trans-110.3110171.4-178.40000108.3V36 T37 G38 K41 F43 V53 T62V36-V56 WeakPolarHBondContact CA-O 3.37Å; T37-V56 PolarHBondContact N-O 3.23Å; T37-V56 PolarHBondContact OG1-O 2.89Å; G38-V56 PolarHBondContact N-O 3.5Å; G38-V56 PolarHBondContact O-N 3.4Å; K41-V56 HydrophobicContact CB-CG2 4.1Å; K41-V56 HydrophobicContact CD-CG2 4.2Å; F43-V56 HydrophobicContact CE2-CG2 3.78Å; F43-V56 HydrophobicContact CZ-CG2 4Å; V53-V56 HydrophobicContact CB-CG2 4.24Å; V53-V56 HydrophobicContact CG1-CG2 3.78Å; V56-T62 WeakPolarHBondContact CA-O 3.49Å
57A94.3Very high93Very high0 Ų029 Ų290%017%0.174CC..EExtended strand (participates in β ladder)trans-117.2-176.9-173.700000111.6V33 N59 G60 A61 T62 I64V33-A57 HydrophobicContact CB-CB 4.21Å; V33-A57 HydrophobicContact CG2-CB 3.66Å; A57-N59 VanDerWaalsContact C-N 3.28Å; A57-N59 PolarHBondContact O-N 2.76Å; A57-G60 CarbonylContact O-C 3.58Å; A57-G60 PolarHBondContact O-N 3.22Å; A57-A61 PolarHBondContact O-N 3.29Å; A57-T62 PolarHBondContact N-O 3.23Å; A57-T62 PolarHBondContact O-N 2.99Å; A57-I64 HydrophobicContact CB-CD1 4.29Å
58N89.8Confident92.6Very high30 Ų3024.3 Ų24.316%0.1615%0.153CC..G310 helixtrans52.345.3-179-162.310.7000112.7P34 S35 G60 A61 T62 W156 E163P34-N58 PolarHBondContact O-N 2.63Å; S35-N58 PolarHBondContact O-N 3.5Å; N58-G60 PolarHBondContact O-N 2.9Å; N58-A61 HydrophobicContact CB-CB 4.13Å; N58-A61 WeakPolarHBondContact O-CB 3.46Å; N58-A61 PolarHBondContact O-N 3.04Å; N58-T62 WeakPolarHBondContact CB-OG1 3.13Å; N58-W156 HydrophobicContact CB-CH2 3.55Å; N58-W156 HydrophobicContact CB-CZ3 3.95Å; N58-E163 PolarHBondContact ND2-OE2 3.08Å
59N89Confident91.8Very high75 Ų7524.5 Ų24.540%0.40115%0.154SC..G310 helixtrans58.516.8-176.5-57.4-67.4000115.3S35 A57 H89S35-N59 PolarHBondContact O-N 3.18Å; A57-N59 VanDerWaalsContact C-N 3.28Å; A57-N59 PolarHBondContact O-N 2.76Å; N59-H89 PolarHBondContact O-CE1 2.91Å; N59-H89 PolarHBondContact O-NE2 3.42Å
60G90.9Very high90.5Very high7 Ų728.9 Ų28.97%0.07216%0.164CC..G310 helixtrans113.6-10.9-176.800000114.8A57 N58 T62A57-G60 CarbonylContact O-C 3.58Å; A57-G60 PolarHBondContact O-N 3.22Å; N58-G60 PolarHBondContact O-N 2.9Å; G60-T62 VanDerWaalsContact C-N 3.34Å
61A91.6Very high89.2Confident22 Ų2232.9 Ų32.918%0.18218%0.175CC..THydrogen-bonded Turntrans-80.3-11.6-176.400000114.2A57 N58 H89 P94 V95A57-A61 PolarHBondContact O-N 3.29Å; N58-A61 HydrophobicContact CB-CB 4.13Å; N58-A61 WeakPolarHBondContact O-CB 3.46Å; N58-A61 PolarHBondContact O-N 3.04Å; A61-H89 PolarHBondContact N-CD2 3.43Å; A61-P94 CarbonylContact O-C 3.58Å; A61-P94 VanDerWaalsContact O-CA 3.24Å; A61-P94 WeakPolarHBondContact O-CA 3.34Å; A61-V95 PolarHBondContact O-N 3.17Å
62T95Very high88.6Confident0 Ų036.1 Ų36.10%019%0.193CC..EExtended strand (participates in β ladder)trans-131.1131.1-178.6-52.70000110.7V56 A57 N58 G60 I64 V95 V97 W154V56-T62 WeakPolarHBondContact CA-O 3.49Å; A57-T62 PolarHBondContact N-O 3.23Å; A57-T62 PolarHBondContact O-N 2.99Å; N58-T62 WeakPolarHBondContact CB-OG1 3.13Å; G60-T62 VanDerWaalsContact C-N 3.34Å; T62-I64 HydrophobicContact CG2-CG1 4.17Å; T62-V95 CarbonylContact C-O 3.6Å; T62-V95 WeakPolarHBondContact CA-O 3.25Å; T62-V97 HydrophobicContact CG2-CG2 3.73Å; T62-W154 HydrophobicContact CG2-CZ2 4.49Å
63W97.3Very high88.3Confident3 Ų332.6 Ų32.61%0.01118%0.175CC..EExtended strand (participates in β ladder)trans-112.6128.7176.2-677.7000108.9F43 L51 V53 F80 T83 A84 N87 P94 V95 I96 V97F43-W63 HydrophobicContact CB-CH2 3.83Å; F43-W63 HydrophobicContact CB-CZ2 4.45Å; F43-W63 HydrophobicContact CB-CZ3 4.46Å; F43-W63 AromaticContact CD1-CH2 3.71Å; F43-W63 HydrophobicContact CD1-CH2 3.71Å; F43-W63 AromaticContact CD1-CZ2 3.47Å; F43-W63 HydrophobicContact CD1-CZ2 3.47Å; F43-W63 VanDerWaalsContact CD1-CZ2 3.47Å; F43-W63 AromaticContact CD2-CH2 3.86Å; F43-W63 HydrophobicContact CD2-CH2 3.86Å; F43-W63 AromaticContact CD2-CZ2 3.86Å; F43-W63 HydrophobicContact CD2-CZ2 3.86Å; F43-W63 HydrophobicContact CD2-CZ3 4.34Å; F43-W63 HydrophobicContact CE1-CH2 4.17Å; F43-W63 AromaticContact CE1-CZ2 3.45Å; F43-W63 HydrophobicContact CE1-CZ2 3.45Å; F43-W63 VanDerWaalsContact CE1-CZ2 3.45Å; F43-W63 AromaticContact CE2-CE2 3.93Å; F43-W63 HydrophobicContact CE2-CH2 4.31Å; F43-W63 AromaticContact CE2-CZ2 3.84Å; F43-W63 HydrophobicContact CE2-CZ2 3.84Å; F43-W63 AromaticContact CG-CH2 3.51Å; F43-W63 HydrophobicContact CG-CH2 3.51Å; F43-W63 AromaticContact CG-CZ2 3.66Å; F43-W63 HydrophobicContact CG-CZ2 3.66Å; F43-W63 HydrophobicContact CG-CZ3 4.31Å; F43-W63 AromaticContact CZ-CE2 3.81Å; F43-W63 HydrophobicContact CZ-CH2 4.44Å; F43-W63 AromaticContact CZ-CZ2 3.63Å; F43-W63 HydrophobicContact CZ-CZ2 3.63Å; F43-W63 AromaticContact CZ-NE1 3.88Å; L51-W63 HydrophobicContact CD2-CZ3 4.37Å; V53-W63 HydrophobicContact CG1-CB 3.7Å; V53-W63 HydrophobicContact CG1-CD2 4.38Å; V53-W63 HydrophobicContact CG1-CG 3.96Å; V53-W63 HydrophobicContact CG2-CB 4.47Å; V53-W63 HydrophobicContact CG2-CD2 3.79Å; V53-W63 HydrophobicContact CG2-CE3 3.47Å; V53-W63 VanDerWaalsContact CG2-CE3 3.47Å; V53-W63 HydrophobicContact CG2-CG 4.24Å; V53-W63 HydrophobicContact CG2-CZ3 3.91Å; W63-F80 HydrophobicContact CE3-CD1 4.32Å; W63-T83 HydrophobicContact CH2-CG2 4.21Å; W63-T83 HydrophobicContact CZ3-CG2 4.14Å; W63-A84 HydrophobicContact CE3-CB 4.27Å; W63-A84 HydrophobicContact CH2-CB 4.4Å; W63-A84 HydrophobicContact CZ3-CB 4Å; W63-N87 HydrophobicContact CH2-CB 3.65Å; W63-N87 HydrophobicContact CZ2-CB 3.75Å; W63-P94 HydrophobicContact CD2-CB 4.05Å; W63-P94 HydrophobicContact CD2-CG 4.31Å; W63-P94 HydrophobicContact CG-CB 3.91Å; W63-P94 HydrophobicContact CZ2-CG 3.97Å; W63-V95 PolarHBondContact N-O 3.49Å; W63-I96 HydrophobicContact CB-CD1 3.68Å; W63-I96 HydrophobicContact CD2-CD1 4.04Å; W63-I96 HydrophobicContact CE3-CD1 3.73Å; W63-I96 HydrophobicContact CG-CD1 4.07Å; W63-I96 WeakPolarHBondContact O-CA 3.28Å; W63-V97 PolarHBondContact O-N 3.17Å
64I96.5Very high88.1Confident0 Ų034.4 Ų34.40%018%0.184CC..EExtended strand (participates in β ladder)trans-119126.8-177.4-47.3175.7000108.9T29 V33 D54 V55 A57 T62 V97 R99T29-I64 HydrophobicContact CG2-CB 4.49Å; T29-I64 HydrophobicContact CG2-CD1 4.04Å; T29-I64 HydrophobicContact CG2-CG2 3.92Å; V33-I64 HydrophobicContact CB-CD1 4.41Å; V33-I64 HydrophobicContact CG1-CD1 3.83Å; V33-I64 HydrophobicContact CG2-CD1 4.07Å; D54-I64 PolarHBondContact N-O 2.98Å; V55-I64 HydrophobicContact CB-CB 4.19Å; V55-I64 PolarHBondContact N-O 2.57Å; V55-I64 VanDerWaalsContact N-O 3.1Å; V55-I64 PolarHBondContact O-N 3.48Å; A57-I64 HydrophobicContact CB-CD1 4.29Å; T62-I64 HydrophobicContact CG2-CG1 4.17Å; I64-V97 CarbonylContact C-O 3.57Å; I64-V97 VanDerWaalsContact CA-O 3.3Å; I64-V97 WeakPolarHBondContact CA-O 3.45Å; I64-V97 HydrophobicContact CG1-CB 4.2Å; I64-V97 HydrophobicContact CG2-CB 4.35Å; I64-R99 HydrophobicContact CG2-CB 4.01Å
65K95Very high87.9Confident22 Ų2236.7 Ų36.710%0.09620%0.204CC..EExtended strand (participates in β ladder)trans-104.9126.2169.6-176.673.8-157.6163.50108.9D54 I67 F80 V97 F98 R99D54-K65 VanDerWaalsContact CG-NZ 3.31Å; D54-K65 IonicContact OD1-NZ 3.66Å; D54-K65 PolarHBondContact OD1-NZ 3.41Å; D54-K65 VanDerWaalsContact OD2-CD 3.26Å; D54-K65 WeakPolarHBondContact OD2-CD 3.49Å; D54-K65 WeakPolarHBondContact OD2-CE 3.35Å; D54-K65 IonicContact OD2-NZ 2.65Å; D54-K65 PolarHBondContact OD2-NZ 3.11Å; K65-I67 HydrophobicContact CB-CD1 4.35Å; K65-I67 HydrophobicContact CG-CD1 3.54Å; K65-F80 HydrophobicContact CB-CE1 4.12Å; K65-F80 HydrophobicContact CB-CE2 4.36Å; K65-F80 HydrophobicContact CB-CZ 3.85Å; K65-F80 HydrophobicContact CD-CE2 3.82Å; K65-F80 HydrophobicContact CD-CZ 3.52Å; K65-F80 HydrophobicContact CG-CE2 4.22Å; K65-F80 HydrophobicContact CG-CZ 4.03Å; K65-V97 PolarHBondContact N-O 2.97Å; K65-F98 HydrophobicContact CB-CD1 3.75Å; K65-F98 HydrophobicContact CB-CE1 3.76Å; K65-F98 HydrophobicContact CB-CG 4.48Å; K65-F98 HydrophobicContact CG-CD1 4.49Å; K65-F98 HydrophobicContact CG-CE1 4.28Å; K65-F98 WeakPolarHBondContact O-CA 3.46Å; K65-R99 PolarHBondContact O-N 2.77Å
66V92.7Very high87.7Confident1 Ų139.3 Ų39.31%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-89.1124176.21780000109.1E25 V26 D54 C101E25-V66 HydrophobicContact CB-CG1 3.59Å; V26-V66 HydrophobicContact CG2-CB 4.05Å; V26-V66 HydrophobicContact CG2-CG2 3.84Å; D54-V66 HydrophobicContact CB-CG2 4.39Å; D54-V66 PolarHBondContact OD2-N 2.86Å; V66-C101 WeakPolarHBondContact CG1-SG 3.23Å
67I90.5Very high87.6Confident9 Ų939.2 Ų39.25%0.04622%0.215CC..EExtended strand (participates in β ladder)trans-108.4111.9-175-51.4-56.7000109.7K65 L73 F98 R99 F100 C101K65-I67 HydrophobicContact CB-CD1 4.35Å; K65-I67 HydrophobicContact CG-CD1 3.54Å; I67-L73 HydrophobicContact CD1-CD2 3.78Å; I67-L73 HydrophobicContact CG1-CD2 4.37Å; I67-L73 HydrophobicContact CG2-CD1 4.02Å; I67-L73 HydrophobicContact CG2-CD2 3.77Å; I67-F98 HydrophobicContact CD1-CD2 3.9Å; I67-F98 HydrophobicContact CD1-CE2 4.21Å; I67-F98 HydrophobicContact CD1-CG 4.27Å; I67-F98 HydrophobicContact CG1-CB 4.12Å; I67-F98 HydrophobicContact CG1-CD2 4.05Å; I67-F98 HydrophobicContact CG1-CG 4.22Å; I67-R99 PolarHBondContact N-O 3.21Å; I67-F100 HydrophobicContact CB-CD1 4Å; I67-F100 HydrophobicContact CB-CD2 4.44Å; I67-F100 HydrophobicContact CB-CE1 4.18Å; I67-F100 HydrophobicContact CB-CG 4.14Å; I67-F100 HydrophobicContact CB-CZ 4.47Å; I67-F100 HydrophobicContact CG1-CD2 4.45Å; I67-F100 HydrophobicContact CG1-CE2 4.31Å; I67-F100 HydrophobicContact CG1-CZ 4.36Å; I67-F100 HydrophobicContact CG2-CD1 3.73Å; I67-F100 HydrophobicContact CG2-CE1 3.62Å; I67-F100 HydrophobicContact CG2-CG 4.38Å; I67-F100 HydrophobicContact CG2-CZ 4.19Å; I67-C101 PolarHBondContact O-N 2.61Å; I67-C101 VanDerWaalsContact O-N 3.1Å
68S78.5Confident87.7Confident49 Ų4943.7 Ų43.734%0.34324%0.236SC..  trans-114.4-1.1178.260.80000113.8
69G69.8Low87.9Confident44 Ų4445.6 Ų45.645%0.45424%0.244SC..SBendtrans-154.4-176.1-173.500000114.4
70R60Low88.3Confident157 Ų15742.1 Ų42.159%0.59223%0.225SC*.  trans-106.410.4-162.5-78.9-173.2166.4175.2-3.7117.1
71Q65.7Low88.5Confident167 Ų16743 Ų4378%0.7823%0.228SC*.SBendtrans-89.9121.2-170.4-67.8-104.1-25.900112.1L73Q71-L73 VanDerWaalsContact C-N 3.34Å; Q71-L73 PolarHBondContact O-N 3.27Å; Q71-L73 VanDerWaalsContact O-N 3.08Å
72N82.5Confident88.6Confident76 Ų7647.7 Ų47.741%0.40625%0.246SC..  trans38.850.6163.7-87-52000116.8L74 A75 Q76 E136N72-L74 VanDerWaalsContact C-N 3.28Å; N72-L74 PolarHBondContact O-N 3.17Å; N72-A75 HydrophobicContact CB-CB 4.43Å; N72-A75 PolarHBondContact O-N 3.06Å; N72-Q76 PolarHBondContact O-N 2.82Å; N72-E136 PolarHBondContact ND2-OE1 2.84Å; N72-E136 PolarHBondContact OD1-OE1 2.96Å; N72-E136 PolarHBondContact OD1-OE2 3.45Å
73L90.2Very high88.6Confident16 Ų1647.7 Ų47.78%0.08425%0.247CC..Hα-helixtrans-65.7-27.8-173.4-66.7173.5000113.8I67 Q71 A77 F100 L108I67-L73 HydrophobicContact CD1-CD2 3.78Å; I67-L73 HydrophobicContact CG1-CD2 4.37Å; I67-L73 HydrophobicContact CG2-CD1 4.02Å; I67-L73 HydrophobicContact CG2-CD2 3.77Å; Q71-L73 VanDerWaalsContact C-N 3.34Å; Q71-L73 PolarHBondContact O-N 3.27Å; Q71-L73 VanDerWaalsContact O-N 3.08Å; L73-A77 VanDerWaalsContact O-CB 3.32Å; L73-A77 WeakPolarHBondContact O-CB 3.45Å; L73-A77 PolarHBondContact O-N 3.47Å; L73-F100 HydrophobicContact CD1-CE1 3.8Å; L73-F100 HydrophobicContact CD1-CZ 3.99Å; L73-L108 HydrophobicContact CD1-CD2 3.71Å
74L92.2Very high88.4Confident38 Ų3847.6 Ų47.620%0.19925%0.246CC..Hα-helixtrans-73.5-46.1177.5-60.9176.1000111.4N72 Q76 A77 E78 L108 R111 L112 L115N72-L74 VanDerWaalsContact C-N 3.28Å; N72-L74 PolarHBondContact O-N 3.17Å; L74-Q76 VanDerWaalsContact C-N 3.28Å; L74-Q76 PolarHBondContact O-N 2.95Å; L74-A77 WeakPolarHBondContact O-CB 3.26Å; L74-A77 PolarHBondContact O-N 2.96Å; L74-A77 VanDerWaalsContact O-N 3.12Å; L74-E78 WeakPolarHBondContact O-CG 3.3Å; L74-E78 PolarHBondContact O-N 2.8Å; L74-L108 HydrophobicContact CD2-CD1 4.2Å; L74-L108 HydrophobicContact CG-CD1 4.45Å; L74-R111 HydrophobicContact CD2-CB 4.01Å; L74-L112 HydrophobicContact CD2-CD2 3.94Å; L74-L112 HydrophobicContact CD2-CG 4.24Å; L74-L115 HydrophobicContact CB-CD1 4.42Å; L74-L115 HydrophobicContact CD2-CD1 3.82Å
75A91.6Very high88.1Confident52 Ų5250.7 Ų50.743%0.4326%0.263SS..Hα-helixtrans-61.6-39.1173.200000111.4N72 E78 Q79N72-A75 HydrophobicContact CB-CB 4.43Å; N72-A75 PolarHBondContact O-N 3.06Å; A75-E78 PolarHBondContact O-N 3.21Å; A75-Q79 PolarHBondContact O-N 3.13Å
76Q92.7Very high87.7Confident55 Ų5549.7 Ų49.726%0.25726%0.259SS..Hα-helixtrans-64.2-41.1173.7-173.117156.400111.8N72 L74 Q79 F80 F98N72-Q76 PolarHBondContact O-N 2.82Å; L74-Q76 VanDerWaalsContact C-N 3.28Å; L74-Q76 PolarHBondContact O-N 2.95Å; Q76-Q79 PolarHBondContact O-N 2.93Å; Q76-F80 HydrophobicContact CG-CD2 3.99Å; Q76-F80 HydrophobicContact CG-CE2 4.04Å; Q76-F80 WeakPolarHBondContact O-CD2 3.06Å; Q76-F80 PolarHBondContact O-N 2.88Å; Q76-F98 HydrophobicContact CB-CZ 4.47Å; Q76-F98 HydrophobicContact CG-CZ 4.11Å
77A94.9Very high87.5Confident0 Ų050.8 Ų50.80%027%0.265CS..Hα-helixtrans-57.8-51.1174.900000110.7L73 L74 Q79 F80 L81 F98 L112 L115 V117L73-A77 VanDerWaalsContact O-CB 3.32Å; L73-A77 WeakPolarHBondContact O-CB 3.45Å; L73-A77 PolarHBondContact O-N 3.47Å; L74-A77 WeakPolarHBondContact O-CB 3.26Å; L74-A77 PolarHBondContact O-N 2.96Å; L74-A77 VanDerWaalsContact O-N 3.12Å; A77-Q79 VanDerWaalsContact C-N 3.34Å; A77-Q79 PolarHBondContact O-N 2.89Å; A77-F80 WeakPolarHBondContact O-CA 3.4Å; A77-F80 WeakPolarHBondContact O-CB 3.24Å; A77-F80 PolarHBondContact O-N 2.85Å; A77-L81 VanDerWaalsContact O-CG 3.31Å; A77-L81 WeakPolarHBondContact O-CG 3.49Å; A77-L81 PolarHBondContact O-N 3.47Å; A77-F98 HydrophobicContact CB-CE2 4.13Å; A77-F98 HydrophobicContact CB-CZ 4.05Å; A77-L112 HydrophobicContact CB-CD2 3.65Å; A77-L115 HydrophobicContact CB-CD1 4.3Å; A77-V117 HydrophobicContact CB-CG2 3.75Å
78E95.1Very high87.1Confident95 Ų9552.5 Ų52.544%0.44428%0.275SS..Hα-helixtrans-54.4-47.8177-70.3175168.700112L74 A75 F80 L81 E82L74-E78 WeakPolarHBondContact O-CG 3.3Å; L74-E78 PolarHBondContact O-N 2.8Å; A75-E78 PolarHBondContact O-N 3.21Å; E78-F80 VanDerWaalsContact C-N 3.29Å; E78-F80 PolarHBondContact O-N 2.96Å; E78-L81 WeakPolarHBondContact O-CB 3.34Å; E78-L81 PolarHBondContact O-N 2.61Å; E78-E82 WeakPolarHBondContact O-CG 3.28Å; E78-E82 PolarHBondContact O-N 3.46Å
79Q94.4Very high87.1Confident70 Ų7052.6 Ų52.633%0.32727%0.27SS..Hα-helixtrans-58.5-40.4176.6-169.2-175.430.400112.6L51 A75 Q76 A77 T83L51-Q79 HydrophobicContact CD1-CG 4.11Å; A75-Q79 PolarHBondContact O-N 3.13Å; Q76-Q79 PolarHBondContact O-N 2.93Å; A77-Q79 VanDerWaalsContact C-N 3.34Å; A77-Q79 PolarHBondContact O-N 2.89Å; Q79-T83 VanDerWaalsContact O-CB 3.3Å; Q79-T83 WeakPolarHBondContact O-CB 3.44Å; Q79-T83 PolarHBondContact O-N 3.49Å; Q79-T83 PolarHBondContact O-OG1 3.25Å
80F96.9Very high87.4Confident1 Ų159.1 Ų59.10%0.00428%0.281CS..Hα-helixtrans-63.6-43.2173.8-95.7-102.2000111.7L51 V53 W63 K65 Q76 A77 E78 A84 I96 F98L51-F80 HydrophobicContact CD1-CD2 3.87Å; L51-F80 HydrophobicContact CD1-CE2 3.65Å; L51-F80 HydrophobicContact CD1-CZ 4.26Å; L51-F80 HydrophobicContact CD2-CB 4.35Å; L51-F80 HydrophobicContact CD2-CD1 3.96Å; L51-F80 HydrophobicContact CD2-CD2 3.82Å; L51-F80 HydrophobicContact CD2-CE1 4.16Å; L51-F80 HydrophobicContact CD2-CE2 4.02Å; L51-F80 HydrophobicContact CD2-CG 3.78Å; L51-F80 HydrophobicContact CD2-CZ 4.15Å; L51-F80 HydrophobicContact CG-CD2 4.32Å; L51-F80 HydrophobicContact CG-CE2 4.09Å; L51-F80 HydrophobicContact CG-CZ 4.26Å; V53-F80 HydrophobicContact CB-CE1 4.49Å; V53-F80 HydrophobicContact CG2-CE1 3.88Å; V53-F80 HydrophobicContact CG2-CZ 4.43Å; W63-F80 HydrophobicContact CE3-CD1 4.32Å; K65-F80 HydrophobicContact CB-CE1 4.12Å; K65-F80 HydrophobicContact CB-CE2 4.36Å; K65-F80 HydrophobicContact CB-CZ 3.85Å; K65-F80 HydrophobicContact CD-CE2 3.82Å; K65-F80 HydrophobicContact CD-CZ 3.52Å; K65-F80 HydrophobicContact CG-CE2 4.22Å; K65-F80 HydrophobicContact CG-CZ 4.03Å; Q76-F80 HydrophobicContact CG-CD2 3.99Å; Q76-F80 HydrophobicContact CG-CE2 4.04Å; Q76-F80 WeakPolarHBondContact O-CD2 3.06Å; Q76-F80 PolarHBondContact O-N 2.88Å; A77-F80 WeakPolarHBondContact O-CA 3.4Å; A77-F80 WeakPolarHBondContact O-CB 3.24Å; A77-F80 PolarHBondContact O-N 2.85Å; E78-F80 VanDerWaalsContact C-N 3.29Å; E78-F80 PolarHBondContact O-N 2.96Å; F80-A84 WeakPolarHBondContact O-CB 3.39Å; F80-A84 PolarHBondContact O-N 3.21Å; F80-I96 HydrophobicContact CB-CG2 3.92Å; F80-I96 HydrophobicContact CD1-CD1 4.32Å; F80-I96 HydrophobicContact CD1-CG2 3.85Å; F80-I96 HydrophobicContact CG-CG2 4.19Å; F80-F98 HydrophobicContact CD1-CE1 4.47Å; F80-F98 HydrophobicContact CD2-CE1 4.22Å; F80-F98 HydrophobicContact CD2-CZ 4.3Å; F80-F98 HydrophobicContact CG-CE1 4.16Å
81L95.4Very high88Confident25 Ų2560.2 Ų60.213%0.13129%0.29CS..Hα-helixtrans-61.6-50178.4-55.3172.7000110.7A77 E78 T83 A84 D85 L115 V117A77-L81 VanDerWaalsContact O-CG 3.31Å; A77-L81 WeakPolarHBondContact O-CG 3.49Å; A77-L81 PolarHBondContact O-N 3.47Å; E78-L81 WeakPolarHBondContact O-CB 3.34Å; E78-L81 PolarHBondContact O-N 2.61Å; L81-T83 PolarHBondContact O-N 3.49Å; L81-A84 PolarHBondContact O-N 3.35Å; L81-D85 VanDerWaalsContact O-CG 3.32Å; L81-D85 PolarHBondContact O-N 3.02Å; L81-L115 HydrophobicContact CD1-CB 4.38Å; L81-L115 WeakPolarHBondContact CD1-O 3.34Å; L81-V117 HydrophobicContact CD2-CG2 3.69Å; L81-V117 HydrophobicContact CG-CG2 4.32Å
82E93.5Very high88.7Confident121 Ų12157.4 Ų57.457%0.56528%0.276SS*.Hα-helixtrans-63.3-42-179.1-70179.7165.500112.7E78 D85 S86E78-E82 WeakPolarHBondContact O-CG 3.28Å; E78-E82 PolarHBondContact O-N 3.46Å; E82-D85 PolarHBondContact O-N 3.16Å; E82-S86 PolarHBondContact O-OG 3.34Å
83T94.6Very high89Confident1 Ų157.8 Ų57.81%0.00627%0.272CS..Hα-helixtrans-66.6-41.8176.4-56.20000110.7F43 D45 L51 W63 Q79 L81 D85 S86 N87F43-T83 HydrophobicContact CB-CG2 3.93Å; D45-T83 HydrophobicContact CB-CG2 4.35Å; L51-T83 HydrophobicContact CB-CG2 3.94Å; L51-T83 HydrophobicContact CD2-CG2 3.87Å; W63-T83 HydrophobicContact CH2-CG2 4.21Å; W63-T83 HydrophobicContact CZ3-CG2 4.14Å; Q79-T83 VanDerWaalsContact O-CB 3.3Å; Q79-T83 WeakPolarHBondContact O-CB 3.44Å; Q79-T83 PolarHBondContact O-N 3.49Å; Q79-T83 PolarHBondContact O-OG1 3.25Å; L81-T83 PolarHBondContact O-N 3.49Å; T83-D85 VanDerWaalsContact C-N 3.31Å; T83-D85 PolarHBondContact O-N 3.1Å; T83-S86 WeakPolarHBondContact O-CB 3.42Å; T83-S86 PolarHBondContact O-N 3.34Å; T83-S86 VanDerWaalsContact O-N 3.09Å; T83-N87 PolarHBondContact O-N 2.92Å; T83-N87 VanDerWaalsContact O-N 3.16Å; T83-N87 PolarHBondContact O-ND2 3.09Å
84A93.9Very high89.2Confident0 Ų057.1 Ų57.10%027%0.268CS..Hα-helixtrans-63.8-35.617800000112.5W63 F80 L81 S86 N87 R93 I96W63-A84 HydrophobicContact CE3-CB 4.27Å; W63-A84 HydrophobicContact CH2-CB 4.4Å; W63-A84 HydrophobicContact CZ3-CB 4Å; F80-A84 WeakPolarHBondContact O-CB 3.39Å; F80-A84 PolarHBondContact O-N 3.21Å; L81-A84 PolarHBondContact O-N 3.35Å; A84-S86 PolarHBondContact O-N 3.44Å; A84-S86 VanDerWaalsContact O-N 3.14Å; A84-N87 CarbonylContact O-C 3.55Å; A84-N87 PolarHBondContact O-N 3.32Å; A84-R93 HydrophobicContact CB-CG 4Å; A84-I96 HydrophobicContact CB-CD1 3.86Å; A84-I96 HydrophobicContact CB-CG1 4.35Å
85D89.7Confident89.3Confident65 Ų6556.9 Ų56.935%0.34827%0.268SS..THydrogen-bonded Turntrans-63.2-18.1175-74.8-15.2000113.4L81 E82 T83 R93L81-D85 VanDerWaalsContact O-CG 3.32Å; L81-D85 PolarHBondContact O-N 3.02Å; E82-D85 PolarHBondContact O-N 3.16Å; T83-D85 VanDerWaalsContact C-N 3.31Å; T83-D85 PolarHBondContact O-N 3.1Å; D85-R93 WeakPolarHBondContact OD1-CD 2.95Å; D85-R93 IonicContact OD1-NE 2.63Å; D85-R93 PolarHBondContact OD1-NE 3.18Å
86S86.3Confident89.5Confident1 Ų154.5 Ų54.51%0.00725%0.248CC..THydrogen-bonded Turntrans-101.7-13.6178.7-50.70000112.2R46 E82 T83 A84 T312R46-S86 WeakPolarHBondContact CG-OG 3.39Å; R46-S86 PolarHBondContact NE-OG 2.68Å; R46-S86 VanDerWaalsContact NE-OG 3.12Å; E82-S86 PolarHBondContact O-OG 3.34Å; T83-S86 WeakPolarHBondContact O-CB 3.42Å; T83-S86 PolarHBondContact O-N 3.34Å; T83-S86 VanDerWaalsContact O-N 3.09Å; A84-S86 PolarHBondContact O-N 3.44Å; A84-S86 VanDerWaalsContact O-N 3.14Å; S86-T312 WeakPolarHBondContact O-CG2 3.19Å; S86-T312 PolarHBondContact O-OG1 3.27Å
87N88.5Confident89.7Confident25 Ų2551.9 Ų51.913%0.13424%0.236CC..SBendtrans-123.455.5-176.4-67.7-85.1000110.7F43 L44 W63 T83 A84 H89 P94F43-N87 HydrophobicContact CD1-CB 3.95Å; L44-N87 PolarHBondContact O-ND2 2.69Å; W63-N87 HydrophobicContact CH2-CB 3.65Å; W63-N87 HydrophobicContact CZ2-CB 3.75Å; T83-N87 PolarHBondContact O-N 2.92Å; T83-N87 VanDerWaalsContact O-N 3.16Å; T83-N87 PolarHBondContact O-ND2 3.09Å; A84-N87 CarbonylContact O-C 3.55Å; A84-N87 PolarHBondContact O-N 3.32Å; N87-H89 PolarHBondContact O-N 3.03Å; N87-P94 WeakPolarHBondContact O-CG 3.35Å
88V82.9Confident89.7Confident45 Ų4551.9 Ų51.927%0.27324%0.236SC..  trans-61.5128.3-178.8-1770000110.5K92V88-K92 CarbonylContact C-O 3.59Å; V88-K92 VanDerWaalsContact CG1-C 3.43Å; V88-K92 VanDerWaalsContact CG1-O 3.26Å; V88-K92 WeakPolarHBondContact CG1-O 3.47Å
89H78.3Confident89.6Confident50 Ų5049.9 Ų49.923%0.23122%0.224CC..BIsolated β-bridgetrans-102.3121.1174.9-176.976.5000110.1N59 A61 N87 F91 K92 P94N59-H89 PolarHBondContact O-CE1 2.91Å; N59-H89 PolarHBondContact O-NE2 3.42Å; A61-H89 PolarHBondContact N-CD2 3.43Å; N87-H89 PolarHBondContact O-N 3.03Å; H89-F91 VanDerWaalsContact C-N 3.27Å; H89-F91 PolarHBondContact O-N 2.6Å; H89-K92 CarbonylContact C-O 3.4Å; H89-K92 PolarHBondContact N-O 2.94Å; H89-K92 PolarHBondContact O-N 2.73Å; H89-P94 HydrophobicContact CB-CG 4.17Å
90R76.2Confident89.4Confident182 Ų18247.5 Ų47.569%0.68721%0.213SC*.THydrogen-bonded Turntrans4948-177.6-63.2178.1179.8176.61112.8K92R90-K92 PolarHBondContact O-N 3.39Å; R90-K92 VanDerWaalsContact O-N 3.08Å
91F73.5Confident88.8Confident179 Ų17949 Ų4979%0.78522%0.223SC*.THydrogen-bonded Turntrans63.86.2-179.1-47.2-79.1000115.7H89H89-F91 VanDerWaalsContact C-N 3.27Å; H89-F91 PolarHBondContact O-N 2.6Å
92K79.2Confident88.1Confident108 Ų10854.1 Ų54.147%0.4725%0.246SC..BIsolated β-bridgetrans-115.3142.1172-66.6-179.2-179.1173.10111.1V88 H89 R90 E163V88-K92 CarbonylContact C-O 3.59Å; V88-K92 VanDerWaalsContact CG1-C 3.43Å; V88-K92 VanDerWaalsContact CG1-O 3.26Å; V88-K92 WeakPolarHBondContact CG1-O 3.47Å; H89-K92 CarbonylContact C-O 3.4Å; H89-K92 PolarHBondContact N-O 2.94Å; H89-K92 PolarHBondContact O-N 2.73Å; R90-K92 PolarHBondContact O-N 3.39Å; R90-K92 VanDerWaalsContact O-N 3.08Å; K92-E163 IonicContact NZ-OE1 2.78Å
93R89.5Confident87.6Confident85 Ų8549.2 Ų49.232%0.32123%0.228SC..PPolyproline II helixtrans-59.4130.5167.4179.5-168178.2-110.1-37.3108.5A84 D85A84-R93 HydrophobicContact CB-CG 4Å; D85-R93 WeakPolarHBondContact OD1-CD 2.95Å; D85-R93 IonicContact OD1-NE 2.63Å; D85-R93 PolarHBondContact OD1-NE 3.18Å
94P93.6Very high87.1Confident1 Ų149.3 Ų49.31%0.00623%0.229CC..PPolyproline II helixtrans-57.5141.7173.6-24.833.6000111.9A61 W63 N87 H89 I96A61-P94 CarbonylContact O-C 3.58Å; A61-P94 VanDerWaalsContact O-CA 3.24Å; A61-P94 WeakPolarHBondContact O-CA 3.34Å; W63-P94 HydrophobicContact CD2-CB 4.05Å; W63-P94 HydrophobicContact CD2-CG 4.31Å; W63-P94 HydrophobicContact CG-CB 3.91Å; W63-P94 HydrophobicContact CZ2-CG 3.97Å; N87-P94 WeakPolarHBondContact O-CG 3.35Å; H89-P94 HydrophobicContact CB-CG 4.17Å; P94-I96 PolarHBondContact O-N 3.34Å
95V94.3Very high86.8Confident34 Ų3449.7 Ų49.721%0.20623%0.232CC..EExtended strand (participates in β ladder)trans-71.3129.1171.9176.10000108.8A61 T62 W63 V97 Q118 Y159A61-V95 PolarHBondContact O-N 3.17Å; T62-V95 CarbonylContact C-O 3.6Å; T62-V95 WeakPolarHBondContact CA-O 3.25Å; W63-V95 PolarHBondContact N-O 3.49Å; V95-V97 HydrophobicContact CG1-CG2 4.26Å; V95-Q118 HydrophobicContact CG1-CG 3.69Å; V95-Y159 HydrophobicContact CG1-CE2 4.34Å; V95-Y159 HydrophobicContact CG2-CE2 3.98Å; V95-Y159 VanDerWaalsContact CG2-OH 3.32Å; V95-Y159 WeakPolarHBondContact CG2-OH 3.35Å
96I96.8Very high86.6Confident1 Ų149.8 Ų49.81%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-98.2125.6179.8-52.9-51.2000108.9W63 F80 A84 P94 F98 V117 Q118W63-I96 HydrophobicContact CB-CD1 3.68Å; W63-I96 HydrophobicContact CD2-CD1 4.04Å; W63-I96 HydrophobicContact CE3-CD1 3.73Å; W63-I96 HydrophobicContact CG-CD1 4.07Å; W63-I96 WeakPolarHBondContact O-CA 3.28Å; F80-I96 HydrophobicContact CB-CG2 3.92Å; F80-I96 HydrophobicContact CD1-CD1 4.32Å; F80-I96 HydrophobicContact CD1-CG2 3.85Å; F80-I96 HydrophobicContact CG-CG2 4.19Å; A84-I96 HydrophobicContact CB-CD1 3.86Å; A84-I96 HydrophobicContact CB-CG1 4.35Å; P94-I96 PolarHBondContact O-N 3.34Å; I96-F98 HydrophobicContact CG2-CD1 4.1Å; I96-F98 HydrophobicContact CG2-CE1 3.9Å; I96-V117 HydrophobicContact CB-CG2 4.43Å; I96-V117 HydrophobicContact CG2-CG1 4.17Å; I96-V117 HydrophobicContact CG2-CG2 4.18Å; I96-Q118 WeakPolarHBondContact O-CB 3.38Å; I96-Q118 PolarHBondContact O-N 3.18Å
97V96.1Very high86.7Confident0 Ų053.8 Ų53.80%026%0.256CS..EExtended strand (participates in β ladder)trans-121.5125179.3-1730000109.3T62 W63 I64 K65 V95 Q118 Q120 W154T62-V97 HydrophobicContact CG2-CG2 3.73Å; W63-V97 PolarHBondContact O-N 3.17Å; I64-V97 CarbonylContact C-O 3.57Å; I64-V97 VanDerWaalsContact CA-O 3.3Å; I64-V97 WeakPolarHBondContact CA-O 3.45Å; I64-V97 HydrophobicContact CG1-CB 4.2Å; I64-V97 HydrophobicContact CG2-CB 4.35Å; K65-V97 PolarHBondContact N-O 2.97Å; V95-V97 HydrophobicContact CG1-CG2 4.26Å; V97-Q118 CarbonylContact C-O 3.51Å; V97-Q118 VanDerWaalsContact CA-O 3.32Å; V97-Q118 WeakPolarHBondContact CA-O 3.3Å; V97-Q118 HydrophobicContact CB-CB 4.48Å; V97-Q118 HydrophobicContact CG2-CB 4.08Å; V97-Q120 HydrophobicContact CG1-CB 4.12Å; V97-W154 HydrophobicContact CG1-CD2 3.91Å; V97-W154 HydrophobicContact CG1-CE3 3.87Å; V97-W154 HydrophobicContact CG1-CG 4.23Å; V97-W154 HydrophobicContact CG1-CZ3 4.28Å; V97-W154 HydrophobicContact CG2-CD2 4.06Å; V97-W154 HydrophobicContact CG2-CG 4.39Å; V97-W154 HydrophobicContact CG2-CH2 4.45Å; V97-W154 HydrophobicContact CG2-CZ2 3.98Å
98F95.1Very high86.7Confident0 Ų053.3 Ų53.30%025%0.254CS..EExtended strand (participates in β ladder)trans-99114.8169.3-82.925.3000108.5K65 I67 Q76 A77 F80 I96 F100 L112 V117 Q118 Q120K65-F98 HydrophobicContact CB-CD1 3.75Å; K65-F98 HydrophobicContact CB-CE1 3.76Å; K65-F98 HydrophobicContact CB-CG 4.48Å; K65-F98 HydrophobicContact CG-CD1 4.49Å; K65-F98 HydrophobicContact CG-CE1 4.28Å; K65-F98 WeakPolarHBondContact O-CA 3.46Å; I67-F98 HydrophobicContact CD1-CD2 3.9Å; I67-F98 HydrophobicContact CD1-CE2 4.21Å; I67-F98 HydrophobicContact CD1-CG 4.27Å; I67-F98 HydrophobicContact CG1-CB 4.12Å; I67-F98 HydrophobicContact CG1-CD2 4.05Å; I67-F98 HydrophobicContact CG1-CG 4.22Å; Q76-F98 HydrophobicContact CB-CZ 4.47Å; Q76-F98 HydrophobicContact CG-CZ 4.11Å; A77-F98 HydrophobicContact CB-CE2 4.13Å; A77-F98 HydrophobicContact CB-CZ 4.05Å; F80-F98 HydrophobicContact CD1-CE1 4.47Å; F80-F98 HydrophobicContact CD2-CE1 4.22Å; F80-F98 HydrophobicContact CD2-CZ 4.3Å; F80-F98 HydrophobicContact CG-CE1 4.16Å; I96-F98 HydrophobicContact CG2-CD1 4.1Å; I96-F98 HydrophobicContact CG2-CE1 3.9Å; F98-F100 HydrophobicContact CB-CE2 3.98Å; F98-L112 HydrophobicContact CD2-CD1 4.2Å; F98-L112 HydrophobicContact CD2-CD2 4.15Å; F98-L112 HydrophobicContact CE2-CD2 4.26Å; F98-V117 HydrophobicContact CB-CG1 4.04Å; F98-V117 HydrophobicContact CD1-CG1 3.65Å; F98-V117 HydrophobicContact CD2-CG1 4.38Å; F98-V117 HydrophobicContact CE1-CG1 4.21Å; F98-V117 HydrophobicContact CG-CG1 3.76Å; F98-Q118 PolarHBondContact N-O 2.74Å; F98-Q120 PolarHBondContact O-N 3.4Å
99R93.4Very high87Confident53 Ų5351.1 Ų51.120%0.224%0.241CC..EExtended strand (participates in β ladder)trans-101.1113.3179.9-173.5-180-175.5123.1-5110.4T29 S32 I64 K65 I67 Q120T29-R99 VanDerWaalsContact OG1-CD 3.32Å; T29-R99 WeakPolarHBondContact OG1-CD 3.42Å; S32-R99 PolarHBondContact OG-NH1 2.95Å; I64-R99 HydrophobicContact CG2-CB 4.01Å; K65-R99 PolarHBondContact O-N 2.77Å; I67-R99 PolarHBondContact N-O 3.21Å; R99-Q120 CarbonylContact C-O 3.55Å; R99-Q120 VanDerWaalsContact CA-O 3.3Å; R99-Q120 WeakPolarHBondContact CA-O 3.47Å; R99-Q120 HydrophobicContact CB-CB 4.34Å; R99-Q120 HydrophobicContact CG-CB 4.2Å; R99-Q120 HydrophobicContact CG-CG 4.24Å
100F90.5Very high87.6Confident21 Ų2151.5 Ų51.59%0.09224%0.24CC..EExtended strand (participates in β ladder)trans-91.8121.5-180-70.8-106.8000111.1I67 L73 F98 G103 A104 L108 L112 V119 Q120 A121I67-F100 HydrophobicContact CB-CD1 4Å; I67-F100 HydrophobicContact CB-CD2 4.44Å; I67-F100 HydrophobicContact CB-CE1 4.18Å; I67-F100 HydrophobicContact CB-CG 4.14Å; I67-F100 HydrophobicContact CB-CZ 4.47Å; I67-F100 HydrophobicContact CG1-CD2 4.45Å; I67-F100 HydrophobicContact CG1-CE2 4.31Å; I67-F100 HydrophobicContact CG1-CZ 4.36Å; I67-F100 HydrophobicContact CG2-CD1 3.73Å; I67-F100 HydrophobicContact CG2-CE1 3.62Å; I67-F100 HydrophobicContact CG2-CG 4.38Å; I67-F100 HydrophobicContact CG2-CZ 4.19Å; L73-F100 HydrophobicContact CD1-CE1 3.8Å; L73-F100 HydrophobicContact CD1-CZ 3.99Å; F98-F100 HydrophobicContact CB-CE2 3.98Å; F100-G103 WeakPolarHBondContact CD1-O 3.01Å; F100-A104 HydrophobicContact CB-CB 4.32Å; F100-A104 HydrophobicContact CD1-CB 3.91Å; F100-A104 HydrophobicContact CD2-CB 3.97Å; F100-A104 HydrophobicContact CE1-CB 4.17Å; F100-A104 HydrophobicContact CE2-CB 4.24Å; F100-A104 HydrophobicContact CG-CB 3.81Å; F100-A104 HydrophobicContact CZ-CB 4.33Å; F100-L108 HydrophobicContact CE1-CD2 4.11Å; F100-L108 HydrophobicContact CZ-CD2 4.18Å; F100-L112 HydrophobicContact CE2-CD1 3.93Å; F100-L112 HydrophobicContact CZ-CD1 3.78Å; F100-V119 HydrophobicContact CD2-CG1 3.97Å; F100-V119 HydrophobicContact CE2-CG1 3.91Å; F100-Q120 PolarHBondContact N-O 3.04Å; F100-A121 HydrophobicContact CB-CB 3.77Å; F100-A121 HydrophobicContact CD2-CB 4.2Å; F100-A121 HydrophobicContact CG-CB 4.25Å
101C83.6Confident88.3Confident32 Ų3247.2 Ų47.222%0.21622%0.224CC..THydrogen-bonded Turntrans-75.4-29.2-178.9-53.70000113E25 V66 I67E25-C101 VanDerWaalsContact CB-SG 3.51Å; E25-C101 HydrophobicContact CG-CB 3.96Å; E25-C101 WeakPolarHBondContact CG-SG 3.38Å; E25-C101 PolarHBondContact OE2-SG 3.28Å; V66-C101 WeakPolarHBondContact CG1-SG 3.23Å; I67-C101 PolarHBondContact O-N 2.61Å; I67-C101 VanDerWaalsContact O-N 3.1Å
102H80.4Confident89.2Confident133 Ų13338.7 Ų38.762%0.61619%0.186SC*.THydrogen-bonded Turntrans-115.722.5-174.4-52.7102.7000112.2
103G82.8Confident89.9Confident18 Ų1835.7 Ų35.719%0.18618%0.175CC..  trans78.6169.8-174.400000114.2F100 S122F100-G103 WeakPolarHBondContact CD1-O 3.01Å; G103-S122 CarbonylContact C-O 3.44Å; G103-S122 WeakPolarHBondContact CA-O 3.29Å
104A85.2Confident90Very high2 Ų237.7 Ų37.72%0.01719%0.186CC..EExtended strand (participates in β ladder)trans-127.1138.1-178.100000109.9F100 A109 V119 A121 S122 L123 V124F100-A104 HydrophobicContact CB-CB 4.32Å; F100-A104 HydrophobicContact CD1-CB 3.91Å; F100-A104 HydrophobicContact CD2-CB 3.97Å; F100-A104 HydrophobicContact CE1-CB 4.17Å; F100-A104 HydrophobicContact CE2-CB 4.24Å; F100-A104 HydrophobicContact CG-CB 3.81Å; F100-A104 HydrophobicContact CZ-CB 4.33Å; A104-A109 HydrophobicContact CB-CB 4.42Å; A104-V119 HydrophobicContact CB-CG1 4.45Å; A104-A121 HydrophobicContact CB-CB 3.52Å; A104-S122 PolarHBondContact N-O 2.8Å; A104-L123 WeakPolarHBondContact O-CA 3.46Å; A104-V124 PolarHBondContact O-N 3.28Å
105A86.4Confident90Very high9 Ų940.6 Ų40.67%0.07420%0.201CC..EExtended strand (participates in β ladder)trans-67.5133.9168.200000109.2L108 A109 L126 Y132A105-L108 HydrophobicContact CB-CB 4.47Å; A105-L108 WeakPolarHBondContact O-CB 3.43Å; A105-L108 PolarHBondContact O-N 3.17Å; A105-L108 VanDerWaalsContact O-N 3.13Å; A105-A109 PolarHBondContact O-N 3.03Å; A105-L126 HydrophobicContact CB-CD1 3.51Å; A105-L126 HydrophobicContact CB-CD2 4.3Å; A105-L126 HydrophobicContact CB-CG 3.79Å; A105-Y132 HydrophobicContact CB-CE2 4.4Å
106E86.9Confident90Very high66 Ų6640.5 Ų40.531%0.30821%0.207SC..Hα-helixtrans-56.1-43.9-176-166.1-172.3147.400113.9L108 A109 R110 L123 V151E106-L108 VanDerWaalsContact C-N 3.28Å; E106-L108 PolarHBondContact O-N 3.28Å; E106-A109 PolarHBondContact O-N 2.75Å; E106-R110 HydrophobicContact CG-CG 4.48Å; E106-R110 WeakPolarHBondContact O-CG 3.47Å; E106-R110 PolarHBondContact O-N 3.26Å; E106-R110 IonicContact OE1-CZ 2.72Å; E106-R110 IonicContact OE1-NE 3.13Å; E106-R110 PolarHBondContact OE1-NE 2.58Å; E106-R110 IonicContact OE1-NH2 4Å; E106-R110 PolarHBondContact OE1-NH2 2.76Å; E106-L123 HydrophobicContact CB-CD2 4.34Å; E106-L123 HydrophobicContact CG-CD1 4.29Å; E106-L123 HydrophobicContact CG-CD2 4.46Å; E106-V151 HydrophobicContact CG-CG2 3.71Å
107P87.4Confident89.9Confident85 Ų8540.4 Ų40.455%0.55221%0.207SC*.Hα-helixtrans-60.4-38.2178.2-24.335.2000113R111P107-R111 WeakPolarHBondContact O-CG 3.24Å; P107-R111 PolarHBondContact O-N 3Å; P107-R111 VanDerWaalsContact O-N 3.09Å
108L88.3Confident89.8Confident15 Ų1543.6 Ų43.68%0.07922%0.222CC..Hα-helixtrans-69.2-44.3177.1175.965000111.2L73 L74 F100 A105 E106 R110 R111 L112L73-L108 HydrophobicContact CD1-CD2 3.71Å; L74-L108 HydrophobicContact CD2-CD1 4.2Å; L74-L108 HydrophobicContact CG-CD1 4.45Å; F100-L108 HydrophobicContact CE1-CD2 4.11Å; F100-L108 HydrophobicContact CZ-CD2 4.18Å; A105-L108 HydrophobicContact CB-CB 4.47Å; A105-L108 WeakPolarHBondContact O-CB 3.43Å; A105-L108 PolarHBondContact O-N 3.17Å; A105-L108 VanDerWaalsContact O-N 3.13Å; E106-L108 VanDerWaalsContact C-N 3.28Å; E106-L108 PolarHBondContact O-N 3.28Å; L108-R110 VanDerWaalsContact C-N 3.3Å; L108-R110 PolarHBondContact O-N 3Å; L108-R111 PolarHBondContact O-N 3.03Å; L108-L112 HydrophobicContact CD1-CD1 4.44Å; L108-L112 HydrophobicContact CD1-CG 4.45Å; L108-L112 HydrophobicContact CG-CD1 4.22Å; L108-L112 WeakPolarHBondContact O-CG 2.96Å; L108-L112 PolarHBondContact O-N 2.63Å
109A89.9Confident89.8Confident0 Ų043.6 Ų43.60%022%0.222CC..Hα-helixtrans-58.9-43.7176.800000111.2A104 A105 E106 R111 L112 L113 V119 L123 V151A104-A109 HydrophobicContact CB-CB 4.42Å; A105-A109 PolarHBondContact O-N 3.03Å; E106-A109 PolarHBondContact O-N 2.75Å; A109-R111 PolarHBondContact O-N 3.47Å; A109-L112 PolarHBondContact O-N 3.22Å; A109-L113 VanDerWaalsContact O-CG 3.29Å; A109-L113 WeakPolarHBondContact O-CG 3.33Å; A109-L113 PolarHBondContact O-N 2.97Å; A109-V119 HydrophobicContact CB-CG1 4.11Å; A109-L123 HydrophobicContact CB-CD2 4.27Å; A109-V151 HydrophobicContact CB-CG1 4.5Å
110R89.7Confident89.7Confident57 Ų5742.7 Ų42.722%0.21522%0.22CC..Hα-helixtrans-59.1-44.2175-73.1175179.6-75.31112.2E106 L108 L113 K114 Q149 V151E106-R110 HydrophobicContact CG-CG 4.48Å; E106-R110 WeakPolarHBondContact O-CG 3.47Å; E106-R110 PolarHBondContact O-N 3.26Å; E106-R110 IonicContact OE1-CZ 2.72Å; E106-R110 IonicContact OE1-NE 3.13Å; E106-R110 PolarHBondContact OE1-NE 2.58Å; E106-R110 IonicContact OE1-NH2 4Å; E106-R110 PolarHBondContact OE1-NH2 2.76Å; L108-R110 VanDerWaalsContact C-N 3.3Å; L108-R110 PolarHBondContact O-N 3Å; R110-L113 PolarHBondContact O-N 3.41Å; R110-K114 WeakPolarHBondContact O-CG 3.28Å; R110-K114 PolarHBondContact O-N 3.38Å; R110-Q149 PolarHBondContact NH1-O 2.92Å; R110-Q149 PolarHBondContact NH2-O 3.37Å; R110-V151 HydrophobicContact CG-CG2 3.61Å
111R91.4Very high89.6Confident93 Ų9342.7 Ų42.735%0.35122%0.223SC..Hα-helixtrans-65.1-41.6178.1-72.3173.875.3-167.610.4112.3L74 P107 L108 A109 K114 L115 E137L74-R111 HydrophobicContact CD2-CB 4.01Å; P107-R111 WeakPolarHBondContact O-CG 3.24Å; P107-R111 PolarHBondContact O-N 3Å; P107-R111 VanDerWaalsContact O-N 3.09Å; L108-R111 PolarHBondContact O-N 3.03Å; A109-R111 PolarHBondContact O-N 3.47Å; R111-K114 PolarHBondContact O-N 3.38Å; R111-L115 WeakPolarHBondContact O-CG 3.38Å; R111-L115 PolarHBondContact O-N 3.14Å; R111-E137 IonicContact CZ-OE1 3.2Å; R111-E137 IonicContact NH1-OE1 2.82Å; R111-E137 PolarHBondContact NH1-OE1 3.37Å; R111-E137 IonicContact NH2-OE1 3.24Å
112L93.2Very high89.7Confident0 Ų045.4 Ų45.40%024%0.243CC..Hα-helixtrans-62.4-42.9174.6-71.6169.6000112L74 A77 F98 F100 L108 A109 L115 G116 V117 V119L74-L112 HydrophobicContact CD2-CD2 3.94Å; L74-L112 HydrophobicContact CD2-CG 4.24Å; A77-L112 HydrophobicContact CB-CD2 3.65Å; F98-L112 HydrophobicContact CD2-CD1 4.2Å; F98-L112 HydrophobicContact CD2-CD2 4.15Å; F98-L112 HydrophobicContact CE2-CD2 4.26Å; F100-L112 HydrophobicContact CE2-CD1 3.93Å; F100-L112 HydrophobicContact CZ-CD1 3.78Å; L108-L112 HydrophobicContact CD1-CD1 4.44Å; L108-L112 HydrophobicContact CD1-CG 4.45Å; L108-L112 HydrophobicContact CG-CD1 4.22Å; L108-L112 WeakPolarHBondContact O-CG 2.96Å; L108-L112 PolarHBondContact O-N 2.63Å; A109-L112 PolarHBondContact O-N 3.22Å; L112-L115 WeakPolarHBondContact O-CB 3.37Å; L112-L115 PolarHBondContact O-N 2.93Å; L112-L115 VanDerWaalsContact O-N 3.17Å; L112-G116 PolarHBondContact O-N 3.45Å; L112-V117 CarbonylContact C-O 3.35Å; L112-V117 HydrophobicContact CB-CB 4.39Å; L112-V117 PolarHBondContact O-N 3.11Å; L112-V119 HydrophobicContact CB-CG2 3.67Å; L112-V119 HydrophobicContact CD1-CG2 4.01Å
113L93.2Very high89.9Confident45 Ų4542.5 Ų42.524%0.23623%0.231CC..Hα-helixtrans-62.6-42.5175.3-71167.5000111.7A109 R110 L115 G116 V117 V119 V151A109-L113 VanDerWaalsContact O-CG 3.29Å; A109-L113 WeakPolarHBondContact O-CG 3.33Å; A109-L113 PolarHBondContact O-N 2.97Å; R110-L113 PolarHBondContact O-N 3.41Å; L113-L115 PolarHBondContact O-N 3.16Å; L113-G116 PolarHBondContact O-N 2.88Å; L113-V117 WeakPolarHBondContact CA-O 3.23Å; L113-V117 PolarHBondContact N-O 3.22Å; L113-V119 HydrophobicContact CD2-CG2 4.45Å; L113-V119 HydrophobicContact CG-CG2 4.21Å; L113-V151 HydrophobicContact CD1-CG1 3.65Å
114K92.5Very high89.8Confident126 Ų12645 Ų4555%0.54824%0.243SC..Hα-helixtrans-59.1-34.8174-76.1-175.5-175.9-176.10112.1R110 R111 G116 D141R110-K114 WeakPolarHBondContact O-CG 3.28Å; R110-K114 PolarHBondContact O-N 3.38Å; R111-K114 PolarHBondContact O-N 3.38Å; K114-G116 PolarHBondContact O-N 3.31Å; K114-D141 IonicContact NZ-OD2 3.04Å; K114-D141 PolarHBondContact NZ-OD2 3.22Å
115L93.5Very high89.1Confident62 Ų6251.7 Ų51.733%0.32528%0.279SS..THydrogen-bonded Turntrans-74-10.2174.6-70.5174.4000113.6L74 A77 L81 R111 L112 L113L74-L115 HydrophobicContact CB-CD1 4.42Å; L74-L115 HydrophobicContact CD2-CD1 3.82Å; A77-L115 HydrophobicContact CB-CD1 4.3Å; L81-L115 HydrophobicContact CD1-CB 4.38Å; L81-L115 WeakPolarHBondContact CD1-O 3.34Å; R111-L115 WeakPolarHBondContact O-CG 3.38Å; R111-L115 PolarHBondContact O-N 3.14Å; L112-L115 WeakPolarHBondContact O-CB 3.37Å; L112-L115 PolarHBondContact O-N 2.93Å; L112-L115 VanDerWaalsContact O-N 3.17Å; L113-L115 PolarHBondContact O-N 3.16Å
116G93.1Very high87.9Confident32 Ų3254 Ų5433%0.3329%0.29SS..THydrogen-bonded Turntrans87.819.2-176.700000114.1L112 L113 K114L112-G116 PolarHBondContact O-N 3.45Å; L113-G116 PolarHBondContact O-N 2.88Å; K114-G116 PolarHBondContact O-N 3.31Å
117V95Very high86.1Confident0 Ų054.8 Ų54.80%030%0.3CS..  trans-96.1128.4168.6175.30000109.4A77 L81 I96 F98 L112 L113A77-V117 HydrophobicContact CB-CG2 3.75Å; L81-V117 HydrophobicContact CD2-CG2 3.69Å; L81-V117 HydrophobicContact CG-CG2 4.32Å; I96-V117 HydrophobicContact CB-CG2 4.43Å; I96-V117 HydrophobicContact CG2-CG1 4.17Å; I96-V117 HydrophobicContact CG2-CG2 4.18Å; F98-V117 HydrophobicContact CB-CG1 4.04Å; F98-V117 HydrophobicContact CD1-CG1 3.65Å; F98-V117 HydrophobicContact CD2-CG1 4.38Å; F98-V117 HydrophobicContact CE1-CG1 4.21Å; F98-V117 HydrophobicContact CG-CG1 3.76Å; L112-V117 CarbonylContact C-O 3.35Å; L112-V117 HydrophobicContact CB-CB 4.39Å; L112-V117 PolarHBondContact O-N 3.11Å; L113-V117 WeakPolarHBondContact CA-O 3.23Å; L113-V117 PolarHBondContact N-O 3.22Å
118Q95.3Very high84.2Confident66 Ų6658 Ų5831%0.30832%0.318SS..EExtended strand (participates in β ladder)trans-75.9142.5173.8-59.9-57.6-4800109.9V95 I96 V97 F98 W154V95-Q118 HydrophobicContact CG1-CG 3.69Å; I96-Q118 WeakPolarHBondContact O-CB 3.38Å; I96-Q118 PolarHBondContact O-N 3.18Å; V97-Q118 CarbonylContact C-O 3.51Å; V97-Q118 VanDerWaalsContact CA-O 3.32Å; V97-Q118 WeakPolarHBondContact CA-O 3.3Å; V97-Q118 HydrophobicContact CB-CB 4.48Å; V97-Q118 HydrophobicContact CG2-CB 4.08Å; F98-Q118 PolarHBondContact N-O 2.74Å; Q118-W154 HydrophobicContact CB-CB 3.94Å; Q118-W154 HydrophobicContact CB-CG 3.89Å
119V93.6Very high81.7Confident0 Ų068.4 Ų68.40%036%0.356CS..EExtended strand (participates in β ladder)trans-120122.9-176179.60000110.2F100 A104 A109 L112 L113 A121 L153 W154F100-V119 HydrophobicContact CD2-CG1 3.97Å; F100-V119 HydrophobicContact CE2-CG1 3.91Å; A104-V119 HydrophobicContact CB-CG1 4.45Å; A109-V119 HydrophobicContact CB-CG1 4.11Å; L112-V119 HydrophobicContact CB-CG2 3.67Å; L112-V119 HydrophobicContact CD1-CG2 4.01Å; L113-V119 HydrophobicContact CD2-CG2 4.45Å; L113-V119 HydrophobicContact CG-CG2 4.21Å; V119-A121 HydrophobicContact CG1-CB 4.13Å; V119-L153 HydrophobicContact CB-CD2 4.15Å; V119-L153 HydrophobicContact CG1-CD2 3.95Å; V119-L153 CarbonylContact O-C 3.41Å; V119-W154 WeakPolarHBondContact O-CB 3.49Å; V119-W154 PolarHBondContact O-N 3.35Å
120Q92.2Very high79.3Confident34 Ų3474.9 Ų74.916%0.15938%0.381CS..EExtended strand (participates in β ladder)trans-110.6110.5172.1-17417730.400109.1V97 F98 R99 F100 W154V97-Q120 HydrophobicContact CG1-CB 4.12Å; F98-Q120 PolarHBondContact O-N 3.4Å; R99-Q120 CarbonylContact C-O 3.55Å; R99-Q120 VanDerWaalsContact CA-O 3.3Å; R99-Q120 WeakPolarHBondContact CA-O 3.47Å; R99-Q120 HydrophobicContact CB-CB 4.34Å; R99-Q120 HydrophobicContact CG-CB 4.2Å; R99-Q120 HydrophobicContact CG-CG 4.24Å; F100-Q120 PolarHBondContact N-O 3.04Å; Q120-W154 HydrophobicContact CB-CE3 4.03Å; Q120-W154 HydrophobicContact CG-CE3 4.2Å
121A88.4Confident76.8Confident21 Ų2176.3 Ų76.317%0.17440%0.397CS..  trans-159.1166.2-175.100000111.1F100 A104 V119 L153F100-A121 HydrophobicContact CB-CB 3.77Å; F100-A121 HydrophobicContact CD2-CB 4.2Å; F100-A121 HydrophobicContact CG-CB 4.25Å; A104-A121 HydrophobicContact CB-CB 3.52Å; V119-A121 HydrophobicContact CG1-CB 4.13Å; A121-L153 WeakPolarHBondContact O-CD1 3.5Å
122S85.5Confident74.5Confident89 Ų8976.7 Ų76.762%0.62240%0.399SS*.  trans-88131.2152.2-56.80000108.3G103 A104G103-S122 CarbonylContact C-O 3.44Å; G103-S122 WeakPolarHBondContact CA-O 3.29Å; A104-S122 PolarHBondContact N-O 2.8Å
123L83.6Confident71.8Confident72 Ų7283.1 Ų83.138%0.37743%0.433SS..EExtended strand (participates in β ladder)trans-69.6137.5174.5-67.7179.6000110A104 E106 A109 V151 L153A104-L123 WeakPolarHBondContact O-CA 3.46Å; E106-L123 HydrophobicContact CB-CD2 4.34Å; E106-L123 HydrophobicContact CG-CD1 4.29Å; E106-L123 HydrophobicContact CG-CD2 4.46Å; A109-L123 HydrophobicContact CB-CD2 4.27Å; L123-V151 HydrophobicContact CD1-CB 4.35Å; L123-L153 HydrophobicContact CD1-CD1 4.43Å; L123-L153 HydrophobicContact CD2-CD1 4.21Å; L123-L153 HydrophobicContact CD2-CD2 4.22Å; L123-L153 HydrophobicContact CG-CD1 3.84Å
124V81.3Confident69.3Low72 Ų7289.3 Ų89.344%0.43646%0.458SS..EExtended strand (participates in β ladder)trans-126.6125.7178.8-170.20000108.7A104 L126A104-V124 PolarHBondContact O-N 3.28Å; V124-L126 PolarHBondContact O-N 3.4Å
125D70.6Confident66.9Low142 Ų14292.2 Ų92.276%0.75947%0.474SS*.PPolyproline II helixtrans-66.6123.8171.5-70.3-30000109.5
126L62.5Low64.5Low58 Ų5895.7 Ų95.730%0.30449%0.488SS..PPolyproline II helixtrans-75.2131.2171.3-73.3170.3000108.7A105 V124 V128 Y132A105-L126 HydrophobicContact CB-CD1 3.51Å; A105-L126 HydrophobicContact CB-CD2 4.3Å; A105-L126 HydrophobicContact CB-CG 3.79Å; V124-L126 PolarHBondContact O-N 3.4Å; L126-V128 PolarHBondContact O-N 3.19Å; L126-Y132 HydrophobicContact CD1-CD2 4.31Å; L126-Y132 HydrophobicContact CD1-CE2 3.94Å
127P48Very low62Low82 Ų8299.2 Ų99.253%0.53250%0.496SS..PPolyproline II helixtrans-55.2132.8164.1-17.827.5000108.4R129 Y130P127-R129 PolarHBondContact O-N 3.25Å; P127-Y130 HydrophobicContact CB-CD2 4.12Å; P127-Y130 HydrophobicContact CB-CE2 4.47Å; P127-Y130 HydrophobicContact CG-CD2 3.94Å; P127-Y130 HydrophobicContact CG-CE2 4.09Å; P127-Y130 PolarHBondContact O-N 3.21Å
128V47.1Very low59.1Low152 Ų152108 Ų10892%0.92154%0.538SS*.THydrogen-bonded Turntrans-47-13-176-177.90000114.8L126L126-V128 PolarHBondContact O-N 3.19Å
129R36.9Very low56.5Low233 Ų233115.2 Ų115.288%0.87956%0.563SS**THydrogen-bonded Turntrans-93.4-6.5178-75.7-176172.8179.2-2.3116.2P127 T131P127-R129 PolarHBondContact O-N 3.25Å; R129-T131 PolarHBondContact O-N 3.05Å
130Y39.1Very low53.8Low136 Ų136121 Ų12153%0.53360%0.599SS.*  trans-9176.7171.6-74.1-81.1000109.6P127 Y132P127-Y130 HydrophobicContact CB-CD2 4.12Å; P127-Y130 HydrophobicContact CB-CE2 4.47Å; P127-Y130 HydrophobicContact CG-CD2 3.94Å; P127-Y130 HydrophobicContact CG-CE2 4.09Å; P127-Y130 PolarHBondContact O-N 3.21Å; Y130-Y132 PolarHBondContact O-N 2.81Å
131T37.5Very low51.4Low88 Ų88124.4 Ų124.454%0.5462%0.618SS.*  trans-60.7117.5151.549.40000105.6R129 D133R129-T131 PolarHBondContact O-N 3.05Å; T131-D133 PolarHBondContact O-N 2.97Å
132Y41.4Very low49.1Very low100 Ų100130.1 Ų130.139%0.39265%0.646SS.*  trans-46.5129.6156-90.5-95.1000106.1A105 L126 Y130 K134A105-Y132 HydrophobicContact CB-CE2 4.4Å; L126-Y132 HydrophobicContact CD1-CD2 4.31Å; L126-Y132 HydrophobicContact CD1-CE2 3.94Å; Y130-Y132 PolarHBondContact O-N 2.81Å; Y132-K134 PolarHBondContact O-N 3.12Å
133D38.4Very low47.2Very low135 Ų135131.6 Ų131.672%0.72265%0.646SS**  trans-43.4117.1-172.3-72.9-47.5000108.9T131 E135 E136T131-D133 PolarHBondContact O-N 2.97Å; D133-E135 PolarHBondContact O-N 2.91Å; D133-E136 PolarHBondContact O-N 3.26Å
134K39.5Very low45.6Very low175 Ų175137.1 Ų137.176%0.76167%0.67SS**THydrogen-bonded Turntrans-58.81.7-175.2-81.8-177.2170.3-1760113.6Y132Y132-K134 PolarHBondContact O-N 3.12Å
135E41.7Very low44Very low188 Ų188136.6 Ų136.688%0.87968%0.68SS**THydrogen-bonded Turntrans-86.9-12.7-176.1-60.7-175176.600112.7D133D133-E135 PolarHBondContact O-N 2.91Å
136E44.3Very low43Very low134 Ų134134.4 Ų134.463%0.62667%0.667SS**SBendtrans-102.85177.2-72.9-171.316100114.9N72 D133N72-E136 PolarHBondContact ND2-OE1 2.84Å; N72-E136 PolarHBondContact OD1-OE1 2.96Å; N72-E136 PolarHBondContact OD1-OE2 3.45Å; D133-E136 PolarHBondContact O-N 3.26Å
137E39.3Very low42.6Very low106 Ų106139.3 Ų139.350%0.49569%0.688SS.*  trans-131.179.7-176.5-72.7-179.8-163.200113.7R111R111-E137 IonicContact CZ-OE1 3.2Å; R111-E137 IonicContact NH1-OE1 2.82Å; R111-E137 PolarHBondContact NH1-OE1 3.37Å; R111-E137 IonicContact NH2-OE1 3.24Å
138E34.2Very low43Very low186 Ų186143.2 Ų143.287%0.86971%0.705SS**  trans-100.564.5152-162.9177.5-159.100108.8
139Y41.4Very low43.7Very low216 Ų216142.3 Ų142.385%0.84769%0.691SS**  trans-138.7102.5162.5-85.7-80.7000108.1D141Y139-D141 PolarHBondContact O-N 2.92Å
140V36.1Very low45.5Very low123 Ų123140 Ų14075%0.74569%0.69SS**  trans-66.1106.4172.5-176.60000107.9D142V140-D142 WeakPolarHBondContact CG1-OD1 3.38Å; V140-D142 PolarHBondContact O-N 2.83Å
141D42.6Very low47.3Very low105 Ų105134.5 Ų134.556%0.56167%0.67SS**  trans-80.489.3168.2-169.612.2000108.1K114 Y139 N143K114-D141 IonicContact NZ-OD2 3.04Å; K114-D141 PolarHBondContact NZ-OD2 3.22Å; Y139-D141 PolarHBondContact O-N 2.92Å; D141-N143 PolarHBondContact O-N 3.43Å
142D40.9Very low49.5Very low141 Ų141134.9 Ų134.975%0.75468%0.677SS**  trans-68.541.1172.9-81.1-27.5000112.8V140V140-D142 WeakPolarHBondContact CG1-OD1 3.38Å; V140-D142 PolarHBondContact O-N 2.83Å
143N44.9Very low51.6Low119 Ų119132.4 Ų132.464%0.63667%0.67SS**  trans-13978173.8-98-59.5000112.1D141 G145D141-N143 PolarHBondContact O-N 3.43Å; N143-G145 PolarHBondContact O-N 3.49Å
144E49.1Very low54Low189 Ų189126.7 Ų126.788%0.88364%0.638SS**THydrogen-bonded Turntrans-61.813.1165.9-66.3-170.215900114.2
145G47.9Very low56.2Low61 Ų61121.3 Ų121.363%0.62962%0.618SS**THydrogen-bonded Turntrans-91.3-4.1-168.300000117.4N143N143-G145 PolarHBondContact O-N 3.49Å
146L49.7Very low58.2Low96 Ų96113.7 Ų113.750%0.50358%0.581SS.*  trans-132.511.4-166.9-75.8170.4000116N148 Q149L146-N148 PolarHBondContact O-N 3.06Å; L146-N148 VanDerWaalsContact O-N 3.08Å; L146-Q149 PolarHBondContact O-N 3.01Å
147E55.7Low59.9Low160 Ų160112.5 Ų112.575%0.74858%0.576SS**THydrogen-bonded Turntrans-61.6-19.2-179-69.5-169.5151.800113.8
148N54.8Low61.9Low165 Ų165110.6 Ų110.688%0.88257%0.574SS**THydrogen-bonded Turntrans-97.65-173.8-71-20.6000116.1L146L146-N148 PolarHBondContact O-N 3.06Å; L146-N148 VanDerWaalsContact O-N 3.08Å
149Q61.7Low64.1Low132 Ų132102.9 Ų102.962%0.61754%0.537SS*.SBendtrans-84.7131.5179.3-145.6172.614.900110.6R110 L146 V151R110-Q149 PolarHBondContact NH1-O 2.92Å; R110-Q149 PolarHBondContact NH2-O 3.37Å; L146-Q149 PolarHBondContact O-N 3.01Å; Q149-V151 PolarHBondContact O-N 2.72Å
150E74.6Confident65.7Low184 Ų18495.8 Ų95.886%0.8652%0.516SS*.  trans-61.9133.7-178.8-168175.6-175.100111.7S152E150-S152 PolarHBondContact O-N 3.2Å; E150-S152 VanDerWaalsContact O-N 3.16Å
151V77.9Confident67.6Low21 Ų2196.1 Ų96.113%0.12751%0.509CS..  trans-75.3104.2178.2-177.70000109.5E106 A109 R110 L113 L123 Q149 L153E106-V151 HydrophobicContact CG-CG2 3.71Å; A109-V151 HydrophobicContact CB-CG1 4.5Å; R110-V151 HydrophobicContact CG-CG2 3.61Å; L113-V151 HydrophobicContact CD1-CG1 3.65Å; L123-V151 HydrophobicContact CD1-CB 4.35Å; Q149-V151 PolarHBondContact O-N 2.72Å; V151-L153 HydrophobicContact CG1-CD2 3.93Å; V151-L153 HydrophobicContact CG1-CG 4.26Å; V151-L153 PolarHBondContact O-N 2.65Å
152S82.7Confident69.2Low97 Ų9797 Ų9768%0.67851%0.508SS*.  trans-78.6101.5171.5-171.30000110E150E150-S152 PolarHBondContact O-N 3.2Å; E150-S152 VanDerWaalsContact O-N 3.16Å
153L86.6Confident70.6Confident48 Ų4892.1 Ų92.125%0.25148%0.481SS..  trans-75.8145.4173.7-66.4174.7000110.8V119 A121 L123 V151 N155V119-L153 HydrophobicContact CB-CD2 4.15Å; V119-L153 HydrophobicContact CG1-CD2 3.95Å; V119-L153 CarbonylContact O-C 3.41Å; A121-L153 WeakPolarHBondContact O-CD1 3.5Å; L123-L153 HydrophobicContact CD1-CD1 4.43Å; L123-L153 HydrophobicContact CD2-CD1 4.21Å; L123-L153 HydrophobicContact CD2-CD2 4.22Å; L123-L153 HydrophobicContact CG-CD1 3.84Å; V151-L153 HydrophobicContact CG1-CD2 3.93Å; V151-L153 HydrophobicContact CG1-CG 4.26Å; V151-L153 PolarHBondContact O-N 2.65Å; L153-N155 PolarHBondContact O-N 3.49Å
154W88.2Confident71.7Confident14 Ų1489 Ų895%0.05347%0.469CS..  trans-67.9128.3-177.9-173.386.7000111V33 T62 V97 Q118 V119 Q120 W156 Y159V33-W154 HydrophobicContact CG1-CH2 4.42Å; T62-W154 HydrophobicContact CG2-CZ2 4.49Å; V97-W154 HydrophobicContact CG1-CD2 3.91Å; V97-W154 HydrophobicContact CG1-CE3 3.87Å; V97-W154 HydrophobicContact CG1-CG 4.23Å; V97-W154 HydrophobicContact CG1-CZ3 4.28Å; V97-W154 HydrophobicContact CG2-CD2 4.06Å; V97-W154 HydrophobicContact CG2-CG 4.39Å; V97-W154 HydrophobicContact CG2-CH2 4.45Å; V97-W154 HydrophobicContact CG2-CZ2 3.98Å; Q118-W154 HydrophobicContact CB-CB 3.94Å; Q118-W154 HydrophobicContact CB-CG 3.89Å; V119-W154 WeakPolarHBondContact O-CB 3.49Å; V119-W154 PolarHBondContact O-N 3.35Å; Q120-W154 HydrophobicContact CB-CE3 4.03Å; Q120-W154 HydrophobicContact CG-CE3 4.2Å; W154-W156 HydrophobicContact CH2-CB 3.86Å; W154-W156 HydrophobicContact CH2-CD2 4.33Å; W154-W156 AromaticContact CH2-CE3 3.55Å; W154-W156 HydrophobicContact CH2-CE3 3.55Å; W154-W156 HydrophobicContact CH2-CG 4.49Å; W154-W156 HydrophobicContact CH2-CZ3 4.48Å; W154-W156 HydrophobicContact CZ2-CB 4.44Å; W154-W156 AromaticContact CZ2-CE3 3.58Å; W154-W156 HydrophobicContact CZ2-CE3 3.58Å; W154-W156 HydrophobicContact CZ2-CZ3 4.27Å; W154-W156 HydrophobicContact CZ3-CB 4.12Å; W154-Y159 AromaticContact NE1-CD2 3.71Å; W154-Y159 AromaticContact NE1-CG 3.71Å
155N85.7Confident72.6Confident62 Ų6283 Ų8333%0.33245%0.447SS..  trans-128.5136.3172-175.134.1000110L153 E157 S158 Y159L153-N155 PolarHBondContact O-N 3.49Å; N155-E157 PolarHBondContact ND2-OE2 3.2Å; N155-E157 PolarHBondContact OD1-OE2 3.19Å; N155-S158 PolarHBondContact ND2-OG 3.41Å; N155-Y159 VanDerWaalsContact O-CB 3.31Å; N155-Y159 WeakPolarHBondContact O-CB 2.97Å; N155-Y159 PolarHBondContact O-N 2.86Å
156W83.2Confident73.4Confident29 Ų2981.6 Ų81.611%0.1143%0.425CS..Hα-helixtrans-65.2-45.5-175.4174.2-95.6000111.8P34 N58 W154 S158 Y159 V160P34-W156 HydrophobicContact CB-CZ2 4.47Å; P34-W156 VanDerWaalsContact CD-CZ2 3.43Å; P34-W156 VanDerWaalsContact CD-NE1 3.25Å; P34-W156 HydrophobicContact CG-CD2 4.11Å; P34-W156 HydrophobicContact CG-CH2 3.86Å; P34-W156 HydrophobicContact CG-CZ2 3.01Å; P34-W156 VanDerWaalsContact CG-NE1 3.25Å; N58-W156 HydrophobicContact CB-CH2 3.55Å; N58-W156 HydrophobicContact CB-CZ3 3.95Å; W154-W156 HydrophobicContact CH2-CB 3.86Å; W154-W156 HydrophobicContact CH2-CD2 4.33Å; W154-W156 AromaticContact CH2-CE3 3.55Å; W154-W156 HydrophobicContact CH2-CE3 3.55Å; W154-W156 HydrophobicContact CH2-CG 4.49Å; W154-W156 HydrophobicContact CH2-CZ3 4.48Å; W154-W156 HydrophobicContact CZ2-CB 4.44Å; W154-W156 AromaticContact CZ2-CE3 3.58Å; W154-W156 HydrophobicContact CZ2-CE3 3.58Å; W154-W156 HydrophobicContact CZ2-CZ3 4.27Å; W154-W156 HydrophobicContact CZ3-CB 4.12Å; W156-S158 PolarHBondContact O-N 3.18Å; W156-Y159 HydrophobicContact CE3-CD1 4.46Å; W156-Y159 HydrophobicContact CZ3-CD1 4.24Å; W156-Y159 PolarHBondContact O-N 3.17Å; W156-V160 HydrophobicContact CD2-CG2 4.14Å; W156-V160 HydrophobicContact CH2-CG2 4.19Å; W156-V160 HydrophobicContact CZ2-CG2 3.35Å; W156-V160 WeakPolarHBondContact O-CG2 2.89Å; W156-V160 PolarHBondContact O-N 2.84Å
157E80.6Confident73.8Confident109 Ų10981.9 Ų81.951%0.50942%0.424SS..Hα-helixtrans-61.8-46-178.8-61.779.9-158.400111.1N155 Y159 V160 E161N155-E157 PolarHBondContact ND2-OE2 3.2Å; N155-E157 PolarHBondContact OD1-OE2 3.19Å; E157-Y159 VanDerWaalsContact C-N 3.31Å; E157-Y159 PolarHBondContact O-N 2.97Å; E157-V160 PolarHBondContact O-N 3.22Å; E157-E161 PolarHBondContact O-N 3.1Å; E157-E161 VanDerWaalsContact O-N 3.09Å
158S82.2Confident73.9Confident65 Ų6582.1 Ų82.146%0.45542%0.422SS..Hα-helixtrans-64.1-36.3177.9-50.90000112.2N155 W156 F162N155-S158 PolarHBondContact ND2-OG 3.41Å; W156-S158 PolarHBondContact O-N 3.18Å; S158-F162 VanDerWaalsContact O-CB 3.27Å; S158-F162 WeakPolarHBondContact O-CB 3.28Å; S158-F162 PolarHBondContact O-N 3.1Å
159Y79.9Confident73.8Confident25 Ų2581.5 Ų81.510%0.09841%0.414CS..Hα-helixtrans-65.3-42175.6176.1-95.6000112.1V95 W154 N155 W156 E157 F162 E163V95-Y159 HydrophobicContact CG1-CE2 4.34Å; V95-Y159 HydrophobicContact CG2-CE2 3.98Å; V95-Y159 VanDerWaalsContact CG2-OH 3.32Å; V95-Y159 WeakPolarHBondContact CG2-OH 3.35Å; W154-Y159 AromaticContact NE1-CD2 3.71Å; W154-Y159 AromaticContact NE1-CG 3.71Å; N155-Y159 VanDerWaalsContact O-CB 3.31Å; N155-Y159 WeakPolarHBondContact O-CB 2.97Å; N155-Y159 PolarHBondContact O-N 2.86Å; W156-Y159 HydrophobicContact CE3-CD1 4.46Å; W156-Y159 HydrophobicContact CZ3-CD1 4.24Å; W156-Y159 PolarHBondContact O-N 3.17Å; E157-Y159 VanDerWaalsContact C-N 3.31Å; E157-Y159 PolarHBondContact O-N 2.97Å; Y159-F162 PolarHBondContact O-N 3.01Å; Y159-E163 HydrophobicContact CE1-CG 3.88Å; Y159-E163 HydrophobicContact CE2-CG 4.1Å; Y159-E163 PolarHBondContact O-N 2.82Å; Y159-E163 WeakPolarHBondContact OH-CG 3.16Å; Y159-E163 PolarHBondContact OH-OE1 3.46Å; Y159-E163 PolarHBondContact OH-OE2 3.18Å
160V74Confident73.4Confident66 Ų6682.9 Ų82.940%0.442%0.418SS..Hα-helixtrans-64-44.3177.31720000111.2W156 E157 F162 E163 S164W156-V160 HydrophobicContact CD2-CG2 4.14Å; W156-V160 HydrophobicContact CH2-CG2 4.19Å; W156-V160 HydrophobicContact CZ2-CG2 3.35Å; W156-V160 WeakPolarHBondContact O-CG2 2.89Å; W156-V160 PolarHBondContact O-N 2.84Å; E157-V160 PolarHBondContact O-N 3.22Å; V160-F162 VanDerWaalsContact C-N 3.31Å; V160-F162 PolarHBondContact O-N 3.19Å; V160-E163 PolarHBondContact O-N 2.75Å; V160-S164 WeakPolarHBondContact O-CB 3.44Å; V160-S164 PolarHBondContact O-N 2.75Å; V160-S164 PolarHBondContact O-OG 2.97Å
161E76.1Confident72.6Confident130 Ų13076.2 Ų76.261%0.60739%0.392SS*.Hα-helixtrans-59.3-45.2174.9-72177.3177.200111.1E157 S164 S165E157-E161 PolarHBondContact O-N 3.1Å; E157-E161 VanDerWaalsContact O-N 3.09Å; E161-S164 PolarHBondContact O-N 3.43Å; E161-S164 PolarHBondContact O-OG 3.12Å; E161-S165 PolarHBondContact O-N 3.31Å; E161-S165 VanDerWaalsContact O-N 3.1Å; E161-S165 PolarHBondContact O-OG 2.85Å
162F77.2Confident72.1Confident124 Ų12479.2 Ų79.254%0.54441%0.407SS..Hα-helixtrans-64.8-46.1177.8-179.2-113.1000113.1S158 Y159 V160 S164 S165 I166S158-F162 VanDerWaalsContact O-CB 3.27Å; S158-F162 WeakPolarHBondContact O-CB 3.28Å; S158-F162 PolarHBondContact O-N 3.1Å; Y159-F162 PolarHBondContact O-N 3.01Å; V160-F162 VanDerWaalsContact C-N 3.31Å; V160-F162 PolarHBondContact O-N 3.19Å; F162-S164 VanDerWaalsContact C-N 3.34Å; F162-S164 PolarHBondContact O-N 3.46Å; F162-S165 WeakPolarHBondContact O-CB 3.27Å; F162-S165 PolarHBondContact O-N 2.9Å; F162-S165 VanDerWaalsContact O-N 3.1Å; F162-I166 HydrophobicContact CD1-CD1 3.7Å; F162-I166 HydrophobicContact CD1-CG1 4.48Å; F162-I166 HydrophobicContact CD2-CD1 4.35Å; F162-I166 HydrophobicContact CD2-CG1 4.5Å; F162-I166 HydrophobicContact CE1-CD1 3.12Å; F162-I166 HydrophobicContact CE1-CG1 4.19Å; F162-I166 HydrophobicContact CE2-CD1 3.85Å; F162-I166 HydrophobicContact CE2-CG1 4.17Å; F162-I166 HydrophobicContact CG-CD1 4.31Å; F162-I166 HydrophobicContact CZ-CD1 3.23Å; F162-I166 HydrophobicContact CZ-CG1 4.05Å; F162-I166 PolarHBondContact O-N 3.15Å
163E70.2Confident71.7Confident39 Ų3976.6 Ų76.618%0.18239%0.387CS..Hα-helixtrans-62.2-42.7176.5-100.4-142.3129.500111.4N58 K92 Y159 V160 S165 I166 E167N58-E163 PolarHBondContact ND2-OE2 3.08Å; K92-E163 IonicContact NZ-OE1 2.78Å; Y159-E163 HydrophobicContact CE1-CG 3.88Å; Y159-E163 HydrophobicContact CE2-CG 4.1Å; Y159-E163 PolarHBondContact O-N 2.82Å; Y159-E163 WeakPolarHBondContact OH-CG 3.16Å; Y159-E163 PolarHBondContact OH-OE1 3.46Å; Y159-E163 PolarHBondContact OH-OE2 3.18Å; V160-E163 PolarHBondContact O-N 2.75Å; E163-S165 PolarHBondContact O-N 3.42Å; E163-I166 PolarHBondContact O-N 3.02Å; E163-E167 WeakPolarHBondContact O-CB 3.36Å; E163-E167 WeakPolarHBondContact O-CG 3.33Å; E163-E167 PolarHBondContact O-N 3.02Å
164S68.3Low71.4Confident53 Ų5376 Ų7637%0.37138%0.383SS..Hα-helixtrans-60.9-28.5176.580.70000112.6V160 E161 F162 K168V160-S164 WeakPolarHBondContact O-CB 3.44Å; V160-S164 PolarHBondContact O-N 2.75Å; V160-S164 PolarHBondContact O-OG 2.97Å; E161-S164 PolarHBondContact O-N 3.43Å; E161-S164 PolarHBondContact O-OG 3.12Å; F162-S164 VanDerWaalsContact C-N 3.34Å; F162-S164 PolarHBondContact O-N 3.46Å; S164-K168 WeakPolarHBondContact O-CG 3.38Å
165S66.9Low71.1Confident62 Ų6278.4 Ų78.443%0.43440%0.398SS..Hα-helixtrans-79.2-45.5176.6-54.60000111.3E161 F162 E163 E167 K168 E169E161-S165 PolarHBondContact O-N 3.31Å; E161-S165 VanDerWaalsContact O-N 3.1Å; E161-S165 PolarHBondContact O-OG 2.85Å; F162-S165 WeakPolarHBondContact O-CB 3.27Å; F162-S165 PolarHBondContact O-N 2.9Å; F162-S165 VanDerWaalsContact O-N 3.1Å; E163-S165 PolarHBondContact O-N 3.42Å; S165-E167 PolarHBondContact O-N 3.3Å; S165-K168 WeakPolarHBondContact O-CB 3.3Å; S165-K168 PolarHBondContact O-N 3.21Å; S165-E169 PolarHBondContact O-N 3.01Å
166I64.2Low71.2Confident32 Ų3275.7 Ų75.716%0.16438%0.383CS..Hα-helixtrans-62-42.1175.1-77.1179.5000111.6F162 E163 K168 E169 K170F162-I166 HydrophobicContact CD1-CD1 3.7Å; F162-I166 HydrophobicContact CD1-CG1 4.48Å; F162-I166 HydrophobicContact CD2-CD1 4.35Å; F162-I166 HydrophobicContact CD2-CG1 4.5Å; F162-I166 HydrophobicContact CE1-CD1 3.12Å; F162-I166 HydrophobicContact CE1-CG1 4.19Å; F162-I166 HydrophobicContact CE2-CD1 3.85Å; F162-I166 HydrophobicContact CE2-CG1 4.17Å; F162-I166 HydrophobicContact CG-CD1 4.31Å; F162-I166 HydrophobicContact CZ-CD1 3.23Å; F162-I166 HydrophobicContact CZ-CG1 4.05Å; F162-I166 PolarHBondContact O-N 3.15Å; E163-I166 PolarHBondContact O-N 3.02Å; I166-K168 PolarHBondContact O-N 3.11Å; I166-E169 PolarHBondContact O-N 3.08Å; I166-K170 HydrophobicContact CG2-CB 3.96Å; I166-K170 HydrophobicContact CG2-CD 3.83Å; I166-K170 HydrophobicContact CG2-CG 4.01Å; I166-K170 PolarHBondContact O-N 3.08Å
167E59Low71.3Confident102 Ų10277.9 Ų77.948%0.47740%0.397SS..Hα-helixtrans-61.7-28.1-179.6-76.7-165.7153.600112.1E163 S165 S171E163-E167 WeakPolarHBondContact O-CB 3.36Å; E163-E167 WeakPolarHBondContact O-CG 3.33Å; E163-E167 PolarHBondContact O-N 3.02Å; S165-E167 PolarHBondContact O-N 3.3Å; E167-S171 PolarHBondContact O-OG 2.97Å
168K57.2Low71.7Confident165 Ų16575.2 Ų75.272%0.71739%0.386SS*.Hα-helixtrans-69.6-34.3171.6-69.4169.5-177.31690112.7S164 S165 I166S164-K168 WeakPolarHBondContact O-CG 3.38Å; S165-K168 WeakPolarHBondContact O-CB 3.3Å; S165-K168 PolarHBondContact O-N 3.21Å; I166-K168 PolarHBondContact O-N 3.11Å
169E53.8Low71.9Confident152 Ų15275.4 Ų75.471%0.7139%0.387SS*.Hα-helixtrans-96.3-40.4-176.4-82.8-172157.400115.3S165 I166S165-E169 PolarHBondContact O-N 3.01Å; I166-E169 PolarHBondContact O-N 3.08Å
170K53.9Low72.1Confident161 Ų16176.2 Ų76.270%0.740%0.395SS*.Hα-helixtrans-95.1-15.9-167.4-72.4-168.9-176.6169.70115.5I166 L172I166-K170 HydrophobicContact CG2-CB 3.96Å; I166-K170 HydrophobicContact CG2-CD 3.83Å; I166-K170 HydrophobicContact CG2-CG 4.01Å; I166-K170 PolarHBondContact O-N 3.08Å; K170-L172 PolarHBondContact O-N 3.26Å; K170-L172 VanDerWaalsContact O-N 3.09Å
171S56.2Low72.9Confident45 Ų4573.1 Ų73.132%0.31538%0.376SS..  trans-8949.8178730000112.5E167 T173 R229E167-S171 PolarHBondContact O-OG 2.97Å; S171-T173 PolarHBondContact O-N 3.4Å; S171-R229 WeakPolarHBondContact O-CD 3.15Å
172L67.2Low73.5Confident83 Ų8369 Ų6944%0.43536%0.357SS..  trans-67.8-12.6171.8-77167.3000112K170 P228 R229 K230K170-L172 PolarHBondContact O-N 3.26Å; K170-L172 VanDerWaalsContact O-N 3.09Å; L172-P228 HydrophobicContact CD2-CB 3.92Å; L172-P228 HydrophobicContact CD2-CG 3.72Å; L172-R229 CarbonylContact O-C 3.57Å; L172-R229 VanDerWaalsContact O-CA 3.23Å; L172-R229 WeakPolarHBondContact O-CA 3.31Å; L172-K230 WeakPolarHBondContact O-CA 3.31Å; L172-K230 WeakPolarHBondContact O-CB 3.35Å; L172-K230 PolarHBondContact O-N 2.85Å
173T75.9Confident74Confident42 Ų4265.4 Ų65.426%0.25835%0.345SS..EExtended strand (participates in β ladder)trans-117.1123.9179.6-52.70000111.3S171 K230 I232S171-T173 PolarHBondContact O-N 3.4Å; T173-K230 CarbonylContact C-O 3.35Å; T173-K230 VanDerWaalsContact CA-O 3.28Å; T173-K230 WeakPolarHBondContact CA-O 3.49Å; T173-K230 HydrophobicContact CG2-CD 4.4Å; T173-K230 HydrophobicContact CG2-CG 4.4Å; T173-I232 HydrophobicContact CG2-CB 4.38Å; T173-I232 HydrophobicContact CG2-CD1 3.71Å; T173-I232 HydrophobicContact CG2-CG1 3.89Å; T173-I232 HydrophobicContact CG2-CG2 3.66Å
174I79.1Confident74.7Confident35 Ų3564.8 Ų64.818%0.17934%0.341CS..EExtended strand (participates in β ladder)trans-115124.9177.6-66.4166.9000109L176 C224 R229 K230 L231 I232I174-L176 HydrophobicContact CG2-CD2 3.85Å; I174-L176 HydrophobicContact CG2-CG 4.46Å; I174-C224 HydrophobicContact CD1-CB 3.94Å; I174-C224 WeakPolarHBondContact CD1-O 3.42Å; I174-R229 HydrophobicContact CD1-CB 4.29Å; I174-K230 PolarHBondContact N-O 2.85Å; I174-L231 HydrophobicContact CB-CD2 4.14Å; I174-L231 CarbonylContact O-C 3.56Å; I174-L231 WeakPolarHBondContact O-CA 3.3Å; I174-I232 PolarHBondContact O-N 2.83Å
175N83.5Confident75.7Confident66 Ų6662.2 Ų62.235%0.35332%0.324SS..EExtended strand (participates in β ladder)trans-82.6121169.3178.719.4000109.7I232 Y293N175-I232 WeakPolarHBondContact CA-O 3.46Å; N175-I232 HydrophobicContact CB-CD1 4.27Å; N175-I232 HydrophobicContact CB-CG1 3.96Å; N175-Y293 WeakPolarHBondContact ND2-CE2 3.16Å; N175-Y293 WeakPolarHBondContact OD1-CE2 3.28Å; N175-Y293 VanDerWaalsContact OD1-CZ 3.23Å; N175-Y293 PolarHBondContact OD1-OH 3.31Å
176L86.1Confident76.8Confident4 Ų460.6 Ų60.62%0.02131%0.312CS..PPolyproline II helixtrans-96.6129.7176-61.5178.2000109.9I174 T180 M181 L231 I232 C233 L260 I264I174-L176 HydrophobicContact CG2-CD2 3.85Å; I174-L176 HydrophobicContact CG2-CG 4.46Å; L176-T180 HydrophobicContact CD2-CG2 3.74Å; L176-M181 HydrophobicContact CB-CG 4.05Å; L176-M181 HydrophobicContact CD1-CG 4.49Å; L176-L231 HydrophobicContact CD1-CB 4.18Å; L176-L231 HydrophobicContact CD1-CD1 4.2Å; L176-L231 HydrophobicContact CD1-CD2 4.4Å; L176-L231 HydrophobicContact CD1-CG 4.49Å; L176-I232 PolarHBondContact N-O 2.84Å; L176-C233 PolarHBondContact O-SG 2.75Å; L176-L260 HydrophobicContact CD1-CD1 4.3Å; L176-I264 HydrophobicContact CD1-CD1 3.73Å; L176-I264 HydrophobicContact CD1-CG1 4Å
177D85.9Confident77.9Confident75 Ų7561.8 Ų61.840%0.40132%0.319SS..PPolyproline II helixtrans-91171.317073.33.4000111.7S179 T180 M181D177-S179 VanDerWaalsContact C-N 3.33Å; D177-S179 PolarHBondContact O-N 2.95Å; D177-S179 PolarHBondContact OD1-N 3.44Å; D177-S179 PolarHBondContact OD1-OG 2.95Å; D177-S179 PolarHBondContact OD2-OG 3.44Å; D177-T180 PolarHBondContact O-N 3.46Å; D177-T180 WeakPolarHBondContact OD1-CB 3.38Å; D177-T180 PolarHBondContact OD1-N 3.09Å; D177-T180 PolarHBondContact OD1-OG1 2.8Å; D177-M181 WeakPolarHBondContact O-CG 3.4Å; D177-M181 PolarHBondContact O-N 3.13Å
178L89.4Confident79.3Confident54 Ų5458.3 Ų58.328%0.28330%0.303SS..Hα-helixtrans-54.6-47.7-179.7177.162.3000112.4T180 M181 M182 F241 I244L178-T180 PolarHBondContact O-N 3.31Å; L178-M181 PolarHBondContact O-N 3.42Å; L178-M182 HydrophobicContact CD1-CG 4.47Å; L178-M182 WeakPolarHBondContact O-CG 3.45Å; L178-M182 PolarHBondContact O-N 3.1Å; L178-F241 HydrophobicContact CD1-CB 3.53Å; L178-F241 HydrophobicContact CD1-CD2 4.15Å; L178-F241 HydrophobicContact CD1-CG 4.35Å; L178-I244 HydrophobicContact CD1-CD1 4.19Å; L178-I244 HydrophobicContact CD2-CD1 4.07Å; L178-I244 HydrophobicContact CG-CD1 4.48Å
179S85.5Confident80.5Confident68 Ų6850.9 Ų50.948%0.47627%0.272SS..Hα-helixtrans-60.7-45.3179.922.90000111.8D177 M181 M182 T183D177-S179 VanDerWaalsContact C-N 3.33Å; D177-S179 PolarHBondContact O-N 2.95Å; D177-S179 PolarHBondContact OD1-N 3.44Å; D177-S179 PolarHBondContact OD1-OG 2.95Å; D177-S179 PolarHBondContact OD2-OG 3.44Å; S179-M181 VanDerWaalsContact C-N 3.34Å; S179-M181 PolarHBondContact O-N 3.12Å; S179-M182 PolarHBondContact O-N 3.36Å; S179-T183 PolarHBondContact O-N 3.41Å; S179-T183 PolarHBondContact O-OG1 3.18Å
180T85.4Confident81.9Confident43 Ų4347 Ų4726%0.26425%0.253SS..Hα-helixtrans-62.4-44.5179.5-55.10000110.3L176 D177 L178 M182 T183 Y184L176-T180 HydrophobicContact CD2-CG2 3.74Å; D177-T180 PolarHBondContact O-N 3.46Å; D177-T180 WeakPolarHBondContact OD1-CB 3.38Å; D177-T180 PolarHBondContact OD1-N 3.09Å; D177-T180 PolarHBondContact OD1-OG1 2.8Å; L178-T180 PolarHBondContact O-N 3.31Å; T180-M182 PolarHBondContact O-N 3.47Å; T180-T183 PolarHBondContact O-N 3.22Å; T180-Y184 HydrophobicContact CG2-CD2 4.04Å; T180-Y184 HydrophobicContact CG2-CE2 4.06Å; T180-Y184 WeakPolarHBondContact O-CD2 3.09Å; T180-Y184 PolarHBondContact O-N 2.91Å; T180-Y184 VanDerWaalsContact O-N 3.1Å
181M89.6Confident83.1Confident0 Ų041.1 Ų41.10%024%0.238CC..Hα-helixtrans-61-44.3175.4-67.5-172.2-69.300111.9L176 D177 L178 S179 T183 Y184 V185 C233 A237 F241 L260 I264L176-M181 HydrophobicContact CB-CG 4.05Å; L176-M181 HydrophobicContact CD1-CG 4.49Å; D177-M181 WeakPolarHBondContact O-CG 3.4Å; D177-M181 PolarHBondContact O-N 3.13Å; L178-M181 PolarHBondContact O-N 3.42Å; S179-M181 VanDerWaalsContact C-N 3.34Å; S179-M181 PolarHBondContact O-N 3.12Å; M181-T183 PolarHBondContact O-N 2.87Å; M181-Y184 PolarHBondContact O-N 3.49Å; M181-Y184 VanDerWaalsContact O-N 3.16Å; M181-V185 WeakPolarHBondContact O-CG2 2.92Å; M181-V185 PolarHBondContact O-N 2.96Å; M181-C233 WeakPolarHBondContact CE-SG 3.48Å; M181-C233 HydrophobicContact SD-CB 4.34Å; M181-C233 VanDerWaalsContact SD-SG 3.66Å; M181-A237 HydrophobicContact CE-CB 4.27Å; M181-F241 HydrophobicContact CB-CD2 3.69Å; M181-F241 HydrophobicContact CB-CE1 4.4Å; M181-F241 HydrophobicContact CB-CE2 3.58Å; M181-F241 HydrophobicContact CB-CG 4.16Å; M181-F241 HydrophobicContact CB-CZ 3.93Å; M181-F241 HydrophobicContact CE-CB 3.73Å; M181-F241 HydrophobicContact CE-CD1 4.45Å; M181-F241 HydrophobicContact CE-CD2 4.45Å; M181-F241 HydrophobicContact CE-CG 3.99Å; M181-F241 HydrophobicContact SD-CD1 4.18Å; M181-F241 HydrophobicContact SD-CG 4.24Å; M181-L260 HydrophobicContact CB-CD2 4.12Å; M181-L260 HydrophobicContact CG-CD2 4.15Å; M181-I264 HydrophobicContact CG-CD1 4.36Å; M181-I264 HydrophobicContact SD-CD1 3.87Å
182M90Very high84.5Confident45 Ų4539.6 Ų39.622%0.22223%0.229CC..Hα-helixtrans-59.3-44.2176.5-74.7-56.2-57.100112.2L178 S179 T180 Y184 V185 S186 F241 I244L178-M182 HydrophobicContact CD1-CG 4.47Å; L178-M182 WeakPolarHBondContact O-CG 3.45Å; L178-M182 PolarHBondContact O-N 3.1Å; S179-M182 PolarHBondContact O-N 3.36Å; T180-M182 PolarHBondContact O-N 3.47Å; M182-Y184 VanDerWaalsContact C-N 3.27Å; M182-Y184 PolarHBondContact O-N 3.25Å; M182-V185 WeakPolarHBondContact O-CG2 3.4Å; M182-V185 PolarHBondContact O-N 3.17Å; M182-V185 VanDerWaalsContact O-N 3.15Å; M182-S186 VanDerWaalsContact O-CB 3.24Å; M182-S186 WeakPolarHBondContact O-CB 3.5Å; M182-S186 PolarHBondContact O-N 3.45Å; M182-F241 HydrophobicContact CG-CD2 4.12Å; M182-F241 HydrophobicContact CG-CE2 4.29Å; M182-F241 HydrophobicContact SD-CD2 3.61Å; M182-F241 HydrophobicContact SD-CE2 3.62Å; M182-I244 HydrophobicContact CE-CG2 3.74Å; M182-I244 HydrophobicContact SD-CB 4.35Å; M182-I244 HydrophobicContact SD-CG2 3.79Å
183T86.4Confident85.5Confident48 Ų4836.2 Ų36.229%0.29421%0.213SC..Hα-helixtrans-60.6-36.6176.6-60.40000112.4S179 T180 M181 V185 V214S179-T183 PolarHBondContact O-N 3.41Å; S179-T183 PolarHBondContact O-OG1 3.18Å; T180-T183 PolarHBondContact O-N 3.22Å; M181-T183 PolarHBondContact O-N 2.87Å; T183-V185 VanDerWaalsContact C-N 3.27Å; T183-V185 PolarHBondContact O-N 3.09Å; T183-V214 HydrophobicContact CG2-CB 4.26Å; T183-V214 HydrophobicContact CG2-CG1 3.5Å; T183-V214 VanDerWaalsContact CG2-CG1 3.5Å; T183-V214 HydrophobicContact CG2-CG2 4.25Å
184Y85.3Confident86.1Confident25 Ų2539.7 Ų39.710%0.09823%0.23CC..Hα-helixtrans-72-18.6178.1-95.7-75.1000114.8T180 M181 M182 F190 L218 H221 K222 V225T180-Y184 HydrophobicContact CG2-CD2 4.04Å; T180-Y184 HydrophobicContact CG2-CE2 4.06Å; T180-Y184 WeakPolarHBondContact O-CD2 3.09Å; T180-Y184 PolarHBondContact O-N 2.91Å; T180-Y184 VanDerWaalsContact O-N 3.1Å; M181-Y184 PolarHBondContact O-N 3.49Å; M181-Y184 VanDerWaalsContact O-N 3.16Å; M182-Y184 VanDerWaalsContact C-N 3.27Å; M182-Y184 PolarHBondContact O-N 3.25Å; Y184-F190 WeakPolarHBondContact O-CE2 3.43Å; Y184-F190 WeakPolarHBondContact O-CZ 3.46Å; Y184-L218 HydrophobicContact CD1-CD2 4.38Å; Y184-L218 HydrophobicContact CE1-CD2 3.69Å; Y184-L218 HydrophobicContact CE2-CD2 4.29Å; Y184-H221 WeakPolarHBondContact OH-CB 3.3Å; Y184-H221 PolarHBondContact OH-O 3.06Å; Y184-K222 PolarHBondContact OH-N 3.02Å; Y184-V225 HydrophobicContact CE1-CB 4.36Å; Y184-V225 HydrophobicContact CE1-CG1 4.43Å; Y184-V225 HydrophobicContact CE1-CG2 4.45Å; Y184-V225 HydrophobicContact CE2-CB 4.45Å; Y184-V225 HydrophobicContact CE2-CG1 4.49Å; Y184-V225 HydrophobicContact CE2-CG2 3.74Å; Y184-V225 WeakPolarHBondContact OH-CB 3.37Å; Y184-V225 WeakPolarHBondContact OH-CG2 3.32Å
185V89.3Confident86.6Confident0 Ų044.8 Ų44.80%025%0.248CC..Hα-helixtrans-113.8-17.9-177.5-560000113.5M181 M182 T183 D187 F241 L245 E253 R256 A257 L260M181-V185 WeakPolarHBondContact O-CG2 2.92Å; M181-V185 PolarHBondContact O-N 2.96Å; M182-V185 WeakPolarHBondContact O-CG2 3.4Å; M182-V185 PolarHBondContact O-N 3.17Å; M182-V185 VanDerWaalsContact O-N 3.15Å; T183-V185 VanDerWaalsContact C-N 3.27Å; T183-V185 PolarHBondContact O-N 3.09Å; V185-D187 PolarHBondContact O-N 3.14Å; V185-F241 HydrophobicContact CB-CZ 4.45Å; V185-F241 HydrophobicContact CG1-CZ 3.84Å; V185-F241 HydrophobicContact CG2-CE2 3.71Å; V185-F241 HydrophobicContact CG2-CZ 3.79Å; V185-L245 HydrophobicContact CG2-CD2 4.19Å; V185-E253 WeakPolarHBondContact O-CG 3.5Å; V185-R256 HydrophobicContact CB-CB 4.17Å; V185-R256 HydrophobicContact CG1-CB 4.1Å; V185-R256 VanDerWaalsContact O-CZ 3.26Å; V185-R256 PolarHBondContact O-NE 3.42Å; V185-R256 PolarHBondContact O-NH2 3.42Å; V185-A257 HydrophobicContact CG1-CB 4Å; V185-L260 HydrophobicContact CG1-CD2 4.07Å
186S89.3Confident87Confident28 Ų2846.8 Ų46.820%0.19626%0.262CS..  trans-65131-172.4-179.60000112.6M182 M188 C189 F190 E253M182-S186 VanDerWaalsContact O-CB 3.24Å; M182-S186 WeakPolarHBondContact O-CB 3.5Å; M182-S186 PolarHBondContact O-N 3.45Å; S186-M188 PolarHBondContact O-N 3.16Å; S186-M188 WeakPolarHBondContact OG-CB 3.46Å; S186-M188 PolarHBondContact OG-N 2.91Å; S186-C189 PolarHBondContact O-N 3.07Å; S186-C189 VanDerWaalsContact O-N 3.08Å; S186-F190 WeakPolarHBondContact O-CD2 3.39Å; S186-F190 PolarHBondContact O-N 2.95Å; S186-E253 WeakPolarHBondContact CA-OE1 3.32Å
187D88.7Confident87.3Confident56 Ų5649 Ų4930%0.29927%0.271SS..G310 helixtrans-58.8-29.8175.3-108.60.6000112.3V185 C189 F190 G191 G192 E253 R256V185-D187 PolarHBondContact O-N 3.14Å; D187-C189 PolarHBondContact O-N 3.24Å; D187-F190 CarbonylContact O-C 3.54Å; D187-F190 PolarHBondContact O-N 3.07Å; D187-G191 PolarHBondContact O-N 3.4Å; D187-G192 VanDerWaalsContact O-CA 3.26Å; D187-G192 WeakPolarHBondContact O-CA 3.27Å; D187-G192 PolarHBondContact O-N 3.29Å; D187-E253 HydrophobicContact CB-CG 4.18Å; D187-E253 PolarHBondContact N-OE1 2.85Å; D187-R256 IonicContact OD1-CZ 3.34Å; D187-R256 IonicContact OD1-NH1 3.14Å; D187-R256 PolarHBondContact OD1-NH1 3.35Å; D187-R256 VanDerWaalsContact OD1-NH1 3.14Å; D187-R256 IonicContact OD1-NH2 2.65Å; D187-R256 PolarHBondContact OD1-NH2 2.77Å
188M87.4Confident87.6Confident29 Ų2952.8 Ų52.814%0.14329%0.29CS..G310 helixtrans-53-43.3176.1-166.161.56700111.1S186 F190 S193 Y197 I202 A206 E209S186-M188 PolarHBondContact O-N 3.16Å; S186-M188 WeakPolarHBondContact OG-CB 3.46Å; S186-M188 PolarHBondContact OG-N 2.91Å; M188-F190 VanDerWaalsContact C-N 3.35Å; M188-S193 VanDerWaalsContact O-CB 3.3Å; M188-S193 WeakPolarHBondContact O-CB 3.49Å; M188-S193 PolarHBondContact O-N 3.41Å; M188-Y197 HydrophobicContact CE-CE2 4.04Å; M188-I202 HydrophobicContact CE-CG2 3.79Å; M188-A206 HydrophobicContact CE-CB 4.38Å; M188-A206 VanDerWaalsContact SD-CA 3.56Å; M188-A206 HydrophobicContact SD-CB 3.75Å; M188-E209 HydrophobicContact CG-CB 4.18Å; M188-E209 HydrophobicContact CG-CG 4.23Å
189C82.9Confident87.8Confident9 Ų955.2 Ų55.26%0.06130%0.301CS..G310 helixtrans-80.9-9.6178.6-61.40000113.7S186 D187 L215S186-C189 PolarHBondContact O-N 3.07Å; S186-C189 VanDerWaalsContact O-N 3.08Å; D187-C189 PolarHBondContact O-N 3.24Å; C189-L215 WeakPolarHBondContact O-CD1 3.43Å; C189-L215 WeakPolarHBondContact O-CG 2.93Å
190F82.8Confident88.1Confident71 Ų7157.1 Ų57.131%0.31131%0.311SS..G310 helixtrans-120.633.6-176.5-70.9-91.3000112.8Y184 S186 D187 M188Y184-F190 WeakPolarHBondContact O-CE2 3.43Å; Y184-F190 WeakPolarHBondContact O-CZ 3.46Å; S186-F190 WeakPolarHBondContact O-CD2 3.39Å; S186-F190 PolarHBondContact O-N 2.95Å; D187-F190 CarbonylContact O-C 3.54Å; D187-F190 PolarHBondContact O-N 3.07Å; M188-F190 VanDerWaalsContact C-N 3.35Å
191G79.6Confident88.5Confident38 Ų3860.5 Ų60.539%0.39233%0.327SS..THydrogen-bonded Turntrans108.3-13.7172.200000114.7D187 S193 N194D187-G191 PolarHBondContact O-N 3.4Å; G191-S193 PolarHBondContact O-N 3.17Å; G191-N194 WeakPolarHBondContact O-CB 3.29Å; G191-N194 PolarHBondContact O-N 3.34Å; G191-N194 PolarHBondContact O-ND2 3.2Å
192G85.1Confident88.5Confident13 Ų1362.8 Ų62.813%0.13434%0.339CS..G310 helixtrans-59.4-26.2171.400000112.6D187 N194 Y195 Y197D187-G192 VanDerWaalsContact O-CA 3.26Å; D187-G192 WeakPolarHBondContact O-CA 3.27Å; D187-G192 PolarHBondContact O-N 3.29Å; G192-N194 PolarHBondContact O-N 3.46Å; G192-Y195 WeakPolarHBondContact O-CB 3.47Å; G192-Y195 PolarHBondContact O-N 3.08Å; G192-Y197 PolarHBondContact O-OH 2.91Å
193S87.7Confident88.6Confident12 Ų1262.3 Ų62.38%0.08434%0.337CS..G310 helixtrans-60.2-7.8170.669.10000114.3M188 G191 R210M188-S193 VanDerWaalsContact O-CB 3.3Å; M188-S193 WeakPolarHBondContact O-CB 3.49Å; M188-S193 PolarHBondContact O-N 3.41Å; G191-S193 PolarHBondContact O-N 3.17Å; S193-R210 VanDerWaalsContact O-CD 3.27Å; S193-R210 WeakPolarHBondContact O-CD 3.42Å; S193-R210 WeakPolarHBondContact O-CG 3.37Å; S193-R210 PolarHBondContact O-NH1 2.8Å
194N90Very high88.9Confident114 Ų11464 Ų6461%0.6134%0.342SS*.G310 helixtrans-97.2-6.5175.2-62.2-45000113.3G191 G192G191-N194 WeakPolarHBondContact O-CB 3.29Å; G191-N194 PolarHBondContact O-N 3.34Å; G191-N194 PolarHBondContact O-ND2 3.2Å; G192-N194 PolarHBondContact O-N 3.46Å
195Y90.1Very high89.1Confident142 Ų14267.1 Ų67.156%0.55736%0.358SS*.SBendtrans-78.9150.5175.3-171.6-101.2000110.8G192 Y197G192-Y195 WeakPolarHBondContact O-CB 3.47Å; G192-Y195 PolarHBondContact O-N 3.08Å; Y195-Y197 AromaticContact CD1-CD1 3.6Å; Y195-Y197 HydrophobicContact CD1-CD1 3.6Å; Y195-Y197 AromaticContact CD1-CD2 3.92Å; Y195-Y197 HydrophobicContact CD1-CD2 3.92Å; Y195-Y197 AromaticContact CD1-CE1 3.63Å; Y195-Y197 HydrophobicContact CD1-CE1 3.63Å; Y195-Y197 AromaticContact CD1-CE2 3.94Å; Y195-Y197 HydrophobicContact CD1-CE2 3.94Å; Y195-Y197 AromaticContact CD1-CG 3.76Å; Y195-Y197 HydrophobicContact CD1-CG 3.76Å; Y195-Y197 AromaticContact CD1-CZ 3.81Å; Y195-Y197 AromaticContact CE1-CD1 3.95Å; Y195-Y197 HydrophobicContact CE1-CD1 3.95Å; Y195-Y197 HydrophobicContact CE1-CE1 4.28Å; Y195-Y197 HydrophobicContact CE1-CG 4.24Å; Y195-Y197 HydrophobicContact CG-CE2 4.48Å
196V90.9Very high89.2Confident108 Ų10867.1 Ų67.166%0.65536%0.358SS*.  trans-103.7111.2171.9-179.30000107.4
197Y91.3Very high89.3Confident52 Ų5269.9 Ų69.920%0.20437%0.368CS..  trans-85.1158.1-178.4-60.4-92.4000110.9M188 G192 Y195 E199 I202 N203 A206M188-Y197 HydrophobicContact CE-CE2 4.04Å; G192-Y197 PolarHBondContact O-OH 2.91Å; Y195-Y197 AromaticContact CD1-CD1 3.6Å; Y195-Y197 HydrophobicContact CD1-CD1 3.6Å; Y195-Y197 AromaticContact CD1-CD2 3.92Å; Y195-Y197 HydrophobicContact CD1-CD2 3.92Å; Y195-Y197 AromaticContact CD1-CE1 3.63Å; Y195-Y197 HydrophobicContact CD1-CE1 3.63Å; Y195-Y197 AromaticContact CD1-CE2 3.94Å; Y195-Y197 HydrophobicContact CD1-CE2 3.94Å; Y195-Y197 AromaticContact CD1-CG 3.76Å; Y195-Y197 HydrophobicContact CD1-CG 3.76Å; Y195-Y197 AromaticContact CD1-CZ 3.81Å; Y195-Y197 AromaticContact CE1-CD1 3.95Å; Y195-Y197 HydrophobicContact CE1-CD1 3.95Å; Y195-Y197 HydrophobicContact CE1-CE1 4.28Å; Y195-Y197 HydrophobicContact CE1-CG 4.24Å; Y195-Y197 HydrophobicContact CG-CE2 4.48Å; Y197-E199 VanDerWaalsContact C-N 3.32Å; Y197-I202 HydrophobicContact CD1-CG2 3.72Å; Y197-I202 HydrophobicContact CD2-CB 4.3Å; Y197-I202 HydrophobicContact CD2-CG2 3.49Å; Y197-I202 VanDerWaalsContact CD2-CG2 3.49Å; Y197-I202 HydrophobicContact CE1-CG2 4Å; Y197-I202 HydrophobicContact CE2-CG2 3.79Å; Y197-I202 HydrophobicContact CG-CB 4.03Å; Y197-I202 HydrophobicContact CG-CG2 3.45Å; Y197-I202 VanDerWaalsContact CG-CG2 3.45Å; Y197-N203 PolarHBondContact N-OD1 3.45Å; Y197-N203 PolarHBondContact O-ND2 3.37Å; Y197-A206 HydrophobicContact CE2-CB 4.32Å
198D93Very high89.4Confident153 Ų15374.3 Ų74.382%0.81838%0.381SS*.SBendtrans-70.5-33.9175.1-66.5-32.8000110.8P200D198-P200 WeakPolarHBondContact O-CD 3.36Å
199E93.3Very high89.3Confident106 Ų10674 Ų7450%0.49538%0.379SS..SBendtrans-80.8124.5179.5-67.973.7-161.600113Y197 L201 I202 N203Y197-E199 VanDerWaalsContact C-N 3.32Å; E199-L201 VanDerWaalsContact C-N 3.27Å; E199-L201 PolarHBondContact O-N 2.98Å; E199-I202 HydrophobicContact CB-CB 4.48Å; E199-I202 HydrophobicContact CB-CD1 4.03Å; E199-I202 HydrophobicContact CB-CG1 4.04Å; E199-I202 HydrophobicContact CG-CD1 4.43Å; E199-I202 PolarHBondContact O-N 3.48Å; E199-N203 PolarHBondContact O-N 2.89Å
200P93.2Very high89.6Confident108 Ų10878.4 Ų78.470%0.70139%0.394SS*.Hα-helixtrans-58.7-34.5179.5-26.334.2000114.4D198 N203 M204D198-P200 WeakPolarHBondContact O-CD 3.36Å; P200-N203 PolarHBondContact O-N 3Å; P200-M204 PolarHBondContact O-N 2.82Å
201L92.7Very high89.8Confident113 Ų11381.9 Ų81.959%0.59241%0.409SS*.Hα-helixtrans-69.2-35.8-177.2-169.7131.3000112E199 M204 Q205E199-L201 VanDerWaalsContact C-N 3.27Å; E199-L201 PolarHBondContact O-N 2.98Å; L201-M204 PolarHBondContact O-N 2.68Å; L201-Q205 PolarHBondContact O-N 2.65Å
202I90.3Very high89.9Confident49 Ų4986.5 Ų86.525%0.25143%0.425SS..Hα-helixtrans-71.9-39.8176.9-56179000109.7M188 Y197 E199 M204 Q205 A206M188-I202 HydrophobicContact CE-CG2 3.79Å; Y197-I202 HydrophobicContact CD1-CG2 3.72Å; Y197-I202 HydrophobicContact CD2-CB 4.3Å; Y197-I202 HydrophobicContact CD2-CG2 3.49Å; Y197-I202 VanDerWaalsContact CD2-CG2 3.49Å; Y197-I202 HydrophobicContact CE1-CG2 4Å; Y197-I202 HydrophobicContact CE2-CG2 3.79Å; Y197-I202 HydrophobicContact CG-CB 4.03Å; Y197-I202 HydrophobicContact CG-CG2 3.45Å; Y197-I202 VanDerWaalsContact CG-CG2 3.45Å; E199-I202 HydrophobicContact CB-CB 4.48Å; E199-I202 HydrophobicContact CB-CD1 4.03Å; E199-I202 HydrophobicContact CB-CG1 4.04Å; E199-I202 HydrophobicContact CG-CD1 4.43Å; E199-I202 PolarHBondContact O-N 3.48Å; I202-M204 VanDerWaalsContact C-N 3.28Å; I202-M204 PolarHBondContact O-N 3.46Å; I202-Q205 WeakPolarHBondContact O-CB 3.4Å; I202-Q205 PolarHBondContact O-N 3.25Å; I202-Q205 VanDerWaalsContact O-N 3.11Å; I202-A206 PolarHBondContact O-N 3.06Å
203N92.3Very high89.5Confident35 Ų3586.5 Ų86.519%0.18742%0.423CS..Hα-helixtrans-58.4-39.6172.7-76.4-35.5000112.6Y197 E199 P200 A206 E207Y197-N203 PolarHBondContact N-OD1 3.45Å; Y197-N203 PolarHBondContact O-ND2 3.37Å; E199-N203 PolarHBondContact O-N 2.89Å; P200-N203 PolarHBondContact O-N 3Å; N203-A206 PolarHBondContact O-N 3.32Å; N203-E207 PolarHBondContact O-N 3.02Å
204M92.4Very high88.7Confident82 Ų8288.2 Ų88.240%0.40443%0.432SS..Hα-helixtrans-64.3-39.5175.4-167.6177.870.500112P200 L201 I202 E207 W208P200-M204 PolarHBondContact O-N 2.82Å; L201-M204 PolarHBondContact O-N 2.68Å; I202-M204 VanDerWaalsContact C-N 3.28Å; I202-M204 PolarHBondContact O-N 3.46Å; M204-E207 WeakPolarHBondContact O-CB 3.45Å; M204-E207 PolarHBondContact O-N 3.16Å; M204-W208 HydrophobicContact CE-CH2 3.61Å; M204-W208 HydrophobicContact CE-CZ2 3.56Å; M204-W208 HydrophobicContact CE-CZ3 4.4Å; M204-W208 HydrophobicContact CG-CZ2 4.09Å; M204-W208 PolarHBondContact O-N 3.24Å; M204-W208 HydrophobicContact SD-CZ2 3.9Å
205Q89.5Confident87.5Confident92 Ų9285.9 Ų85.943%0.4342%0.42SS..Hα-helixtrans-65.1-41.7174-70.3175.9-14.100111.9L201 I202 E207 W208 E209L201-Q205 PolarHBondContact O-N 2.65Å; I202-Q205 WeakPolarHBondContact O-CB 3.4Å; I202-Q205 PolarHBondContact O-N 3.25Å; I202-Q205 VanDerWaalsContact O-N 3.11Å; Q205-E207 VanDerWaalsContact C-N 3.32Å; Q205-E207 PolarHBondContact O-N 3.21Å; Q205-W208 PolarHBondContact O-N 3.41Å; Q205-W208 VanDerWaalsContact O-N 3.16Å; Q205-E209 PolarHBondContact O-N 3.23Å
206A91.2Very high86Confident0 Ų086.9 Ų86.90%043%0.427CS..Hα-helixtrans-61.1-40.7174.900000111.7M188 Y197 I202 N203 W208 E209 R210M188-A206 HydrophobicContact CE-CB 4.38Å; M188-A206 VanDerWaalsContact SD-CA 3.56Å; M188-A206 HydrophobicContact SD-CB 3.75Å; Y197-A206 HydrophobicContact CE2-CB 4.32Å; I202-A206 PolarHBondContact O-N 3.06Å; N203-A206 PolarHBondContact O-N 3.32Å; A206-W208 PolarHBondContact O-N 3Å; A206-E209 PolarHBondContact O-N 3.22Å; A206-R210 WeakPolarHBondContact O-CG 3.43Å; A206-R210 PolarHBondContact O-N 3.35Å
207E91.9Very high84.5Confident86 Ų8685.8 Ų85.840%0.40242%0.421SS..Hα-helixtrans-61.5-41172.4-78.5-177.6-165.100113.3N203 M204 Q205 R210 K211N203-E207 PolarHBondContact O-N 3.02Å; M204-E207 WeakPolarHBondContact O-CB 3.45Å; M204-E207 PolarHBondContact O-N 3.16Å; Q205-E207 VanDerWaalsContact C-N 3.32Å; Q205-E207 PolarHBondContact O-N 3.21Å; E207-R210 PolarHBondContact O-N 3.44Å; E207-K211 WeakPolarHBondContact O-CG 3.37Å; E207-K211 PolarHBondContact O-N 3.19Å
208W89Confident82.7Confident149 Ų14983.6 Ų83.656%0.56441%0.412SS*.Hα-helixtrans-65.8-44177.5-68.8-5.5000111.7M204 Q205 A206 R210 K211 N212M204-W208 HydrophobicContact CE-CH2 3.61Å; M204-W208 HydrophobicContact CE-CZ2 3.56Å; M204-W208 HydrophobicContact CE-CZ3 4.4Å; M204-W208 HydrophobicContact CG-CZ2 4.09Å; M204-W208 PolarHBondContact O-N 3.24Å; M204-W208 HydrophobicContact SD-CZ2 3.9Å; Q205-W208 PolarHBondContact O-N 3.41Å; Q205-W208 VanDerWaalsContact O-N 3.16Å; A206-W208 PolarHBondContact O-N 3Å; W208-R210 VanDerWaalsContact C-N 3.31Å; W208-R210 PolarHBondContact O-N 2.89Å; W208-K211 PolarHBondContact O-N 2.93Å; W208-N212 PolarHBondContact O-N 3.4Å
209E86.7Confident80.6Confident22 Ų2280.4 Ų80.410%0.10340%0.4CS..Hα-helixtrans-64.2-35.1175.3-173.160.9-15000111.3M188 Q205 A206 N212 S213 V214M188-E209 HydrophobicContact CG-CB 4.18Å; M188-E209 HydrophobicContact CG-CG 4.23Å; Q205-E209 PolarHBondContact O-N 3.23Å; A206-E209 PolarHBondContact O-N 3.22Å; E209-N212 CarbonylContact O-C 3.53Å; E209-S213 WeakPolarHBondContact O-CA 3.45Å; E209-S213 WeakPolarHBondContact O-CB 3.38Å; E209-S213 PolarHBondContact O-N 3.5Å; E209-S213 VanDerWaalsContact OE1-CA 3.3Å; E209-S213 WeakPolarHBondContact OE1-CA 3.33Å; E209-S213 PolarHBondContact OE1-OG 2.8Å; E209-V214 PolarHBondContact OE1-N 2.84Å
210R89Confident78.6Confident102 Ų10282.1 Ų82.139%0.38541%0.408SS..Hα-helixtrans-66.7-38.6173.1-72.8-175.4-61.1-114.37.4112.9S193 A206 E207 W208S193-R210 VanDerWaalsContact O-CD 3.27Å; S193-R210 WeakPolarHBondContact O-CD 3.42Å; S193-R210 WeakPolarHBondContact O-CG 3.37Å; S193-R210 PolarHBondContact O-NH1 2.8Å; A206-R210 WeakPolarHBondContact O-CG 3.43Å; A206-R210 PolarHBondContact O-N 3.35Å; E207-R210 PolarHBondContact O-N 3.44Å; W208-R210 VanDerWaalsContact C-N 3.31Å; W208-R210 PolarHBondContact O-N 2.89Å
211K87.3Confident76.8Confident144 Ų14481.3 Ų81.363%0.62640%0.395SS*.Hα-helixtrans-75.3-43-179.3-75.1174.3-178.4168.20112.5E207 W208E207-K211 WeakPolarHBondContact O-CG 3.37Å; E207-K211 PolarHBondContact O-N 3.19Å; W208-K211 PolarHBondContact O-N 2.93Å
212N81.3Confident75.1Confident134 Ų13480.9 Ų80.972%0.71739%0.388SS*.SBendtrans-131.763.3-175.9-66.3-60.2000109.4W208 E209 V214W208-N212 PolarHBondContact O-N 3.4Å; E209-N212 CarbonylContact O-C 3.53Å; N212-V214 PolarHBondContact O-N 3.46Å
213S76Confident73.5Confident13 Ų1388.2 Ų88.29%0.09141%0.412CS..  trans-61.1132.1-175.7-173.20000110.6E209 L215 F216E209-S213 WeakPolarHBondContact O-CA 3.45Å; E209-S213 WeakPolarHBondContact O-CB 3.38Å; E209-S213 PolarHBondContact O-N 3.5Å; E209-S213 VanDerWaalsContact OE1-CA 3.3Å; E209-S213 WeakPolarHBondContact OE1-CA 3.33Å; E209-S213 PolarHBondContact OE1-OG 2.8Å; S213-L215 PolarHBondContact O-N 3.4Å; S213-L215 VanDerWaalsContact O-N 3.17Å; S213-L215 VanDerWaalsContact OG-CB 3.28Å; S213-L215 WeakPolarHBondContact OG-CB 3.27Å; S213-L215 PolarHBondContact OG-N 3.12Å; S213-F216 WeakPolarHBondContact O-CB 3.26Å; S213-F216 PolarHBondContact O-N 2.96Å
214V71.2Confident71.8Confident48 Ų4887.9 Ų87.929%0.29141%0.412SS..Hα-helixtrans-55.6-29.6165.7164.50000109.6T183 E209 N212 F216 V217 L218T183-V214 HydrophobicContact CG2-CB 4.26Å; T183-V214 HydrophobicContact CG2-CG1 3.5Å; T183-V214 VanDerWaalsContact CG2-CG1 3.5Å; T183-V214 HydrophobicContact CG2-CG2 4.25Å; E209-V214 PolarHBondContact OE1-N 2.84Å; N212-V214 PolarHBondContact O-N 3.46Å; V214-F216 PolarHBondContact O-N 3.02Å; V214-F216 VanDerWaalsContact O-N 3.12Å; V214-V217 CarbonylContact O-C 3.43Å; V214-V217 PolarHBondContact O-N 3.37Å; V214-L218 HydrophobicContact CG1-CD1 3.72Å; V214-L218 HydrophobicContact CG1-CD2 4.24Å; V214-L218 HydrophobicContact CG1-CG 3.65Å; V214-L218 VanDerWaalsContact O-CG 3.3Å; V214-L218 WeakPolarHBondContact O-CG 3.35Å; V214-L218 PolarHBondContact O-N 3.37Å
215L64.8Low70.3Confident65 Ų6584.3 Ų84.334%0.3440%0.395SS..Hα-helixtrans-58-22.4172.7-73.4170.8000114.6C189 S213 L218 P219C189-L215 WeakPolarHBondContact O-CD1 3.43Å; C189-L215 WeakPolarHBondContact O-CG 2.93Å; S213-L215 PolarHBondContact O-N 3.4Å; S213-L215 VanDerWaalsContact O-N 3.17Å; S213-L215 VanDerWaalsContact OG-CB 3.28Å; S213-L215 WeakPolarHBondContact OG-CB 3.27Å; S213-L215 PolarHBondContact OG-N 3.12Å; L215-L218 HydrophobicContact CB-CD1 4.48Å; L215-L218 HydrophobicContact CD2-CB 4.32Å; L215-L218 HydrophobicContact CD2-CD1 3.46Å; L215-L218 VanDerWaalsContact CD2-CD1 3.46Å; L215-L218 HydrophobicContact CD2-CG 4.49Å; L215-L218 HydrophobicContact CG-CD1 4.02Å; L215-P219 WeakPolarHBondContact O-CD 3.43Å
216F58.7Low69.2Low163 Ų16382.4 Ų82.472%0.71539%0.392SS*.Hα-helixtrans-75.9-26.8174.6-67.7-60.3000112.8S213 V214 P219S213-F216 WeakPolarHBondContact O-CB 3.26Å; S213-F216 PolarHBondContact O-N 2.96Å; V214-F216 PolarHBondContact O-N 3.02Å; V214-F216 VanDerWaalsContact O-N 3.12Å; F216-P219 WeakPolarHBondContact O-CD 3.5Å
217V60.4Low67.9Low86 Ų8686.4 Ų86.452%0.52143%0.425SS..Hα-helixtrans-91.6-21.1174.1-136.50000111.3V214 H220 H221V214-V217 CarbonylContact O-C 3.43Å; V214-V217 PolarHBondContact O-N 3.37Å; V217-H220 WeakPolarHBondContact O-CB 3.36Å; V217-H220 PolarHBondContact O-N 2.97Å; V217-H221 PolarHBondContact O-N 3.01Å
218L52.5Low66.9Low5 Ų587.5 Ų87.53%0.02644%0.44CS..Hα-helixtrans-63.8-20.1177.4-76170.5000115.6Y184 V214 L215 H220 H221 K222Y184-L218 HydrophobicContact CD1-CD2 4.38Å; Y184-L218 HydrophobicContact CE1-CD2 3.69Å; Y184-L218 HydrophobicContact CE2-CD2 4.29Å; V214-L218 HydrophobicContact CG1-CD1 3.72Å; V214-L218 HydrophobicContact CG1-CD2 4.24Å; V214-L218 HydrophobicContact CG1-CG 3.65Å; V214-L218 VanDerWaalsContact O-CG 3.3Å; V214-L218 WeakPolarHBondContact O-CG 3.35Å; V214-L218 PolarHBondContact O-N 3.37Å; L215-L218 HydrophobicContact CB-CD1 4.48Å; L215-L218 HydrophobicContact CD2-CB 4.32Å; L215-L218 HydrophobicContact CD2-CD1 3.46Å; L215-L218 VanDerWaalsContact CD2-CD1 3.46Å; L215-L218 HydrophobicContact CD2-CG 4.49Å; L215-L218 HydrophobicContact CG-CD1 4.02Å; L218-H220 VanDerWaalsContact C-N 3.29Å; L218-H220 PolarHBondContact O-N 3.3Å; L218-H221 HydrophobicContact CD2-CB 3.86Å; L218-H221 CarbonylContact O-C 3.6Å; L218-H221 PolarHBondContact O-N 3.4Å; L218-K222 HydrophobicContact CB-CG 4.46Å; L218-K222 WeakPolarHBondContact O-CA 3.47Å; L218-K222 WeakPolarHBondContact O-CB 3.22Å; L218-K222 VanDerWaalsContact O-CG 3.3Å; L218-K222 WeakPolarHBondContact O-CG 3.31Å; L218-K222 PolarHBondContact O-N 2.81Å
219P49.4Very low66.1Low86 Ų8683.6 Ų83.656%0.55843%0.425SS*.Hα-helixtrans-62.7-41.7169.3-29.829.7000111.4L215 F216 R223L215-P219 WeakPolarHBondContact O-CD 3.43Å; F216-P219 WeakPolarHBondContact O-CD 3.5Å; P219-R223 WeakPolarHBondContact O-CB 3.06Å; P219-R223 PolarHBondContact O-N 2.91Å
220H50.9Low65.9Low143 Ų14385.8 Ų85.866%0.66243%0.434SS*.Hα-helixtrans-66.7-45.2172.3-12184.6000110.4V217 L218 R223 C224V217-H220 WeakPolarHBondContact O-CB 3.36Å; V217-H220 PolarHBondContact O-N 2.97Å; L218-H220 VanDerWaalsContact C-N 3.29Å; L218-H220 PolarHBondContact O-N 3.3Å; H220-R223 WeakPolarHBondContact O-CB 3.14Å; H220-R223 PolarHBondContact O-N 2.93Å; H220-C224 PolarHBondContact O-N 3.2Å; H220-C224 PolarHBondContact O-SG 3.46Å
221H55.1Low65.8Low91 Ų9181 Ų8142%0.42142%0.416SS..Hα-helixtrans-73.4-39-178-96.6-85.4000114.3Y184 V217 L218 R223 C224 V225Y184-H221 WeakPolarHBondContact OH-CB 3.3Å; Y184-H221 PolarHBondContact OH-O 3.06Å; V217-H221 PolarHBondContact O-N 3.01Å; L218-H221 HydrophobicContact CD2-CB 3.86Å; L218-H221 CarbonylContact O-C 3.6Å; L218-H221 PolarHBondContact O-N 3.4Å; H221-R223 VanDerWaalsContact C-N 3.28Å; H221-R223 PolarHBondContact O-N 2.79Å; H221-C224 CarbonylContact O-C 3.53Å; H221-C224 WeakPolarHBondContact O-CA 3.49Å; H221-C224 VanDerWaalsContact O-CB 3.28Å; H221-C224 WeakPolarHBondContact O-CB 3.41Å; H221-C224 PolarHBondContact O-N 3.09Å; H221-V225 WeakPolarHBondContact O-CB 3.24Å; H221-V225 VanDerWaalsContact O-CG2 3.29Å; H221-V225 WeakPolarHBondContact O-CG2 3.4Å; H221-V225 PolarHBondContact O-N 3.42Å
222K56.1Low65.9Low104 Ų10475 Ų7545%0.45239%0.391SS..Hα-helixtrans-59.7-41.7170.8-81.1-174.7176.8-179.10109Y184 L218 C224 V225 S226Y184-K222 PolarHBondContact OH-N 3.02Å; L218-K222 HydrophobicContact CB-CG 4.46Å; L218-K222 WeakPolarHBondContact O-CA 3.47Å; L218-K222 WeakPolarHBondContact O-CB 3.22Å; L218-K222 VanDerWaalsContact O-CG 3.3Å; L218-K222 WeakPolarHBondContact O-CG 3.31Å; L218-K222 PolarHBondContact O-N 2.81Å; K222-C224 VanDerWaalsContact C-N 3.32Å; K222-C224 PolarHBondContact O-N 2.75Å; K222-V225 CarbonylContact O-C 3.39Å; K222-V225 PolarHBondContact O-N 3.3Å; K222-S226 WeakPolarHBondContact O-CA 3.41Å; K222-S226 WeakPolarHBondContact O-CB 3.41Å; K222-S226 PolarHBondContact O-N 2.91Å; K222-S226 PolarHBondContact O-OG 2.95Å
223R57.7Low66.3Low202 Ų20268.6 Ų68.676%0.76236%0.356SS*.Hα-helixtrans-61.8-41.9172-163.7179.4-169.2179.64.1111.4P219 H220 H221 V225 S226P219-R223 WeakPolarHBondContact O-CB 3.06Å; P219-R223 PolarHBondContact O-N 2.91Å; H220-R223 WeakPolarHBondContact O-CB 3.14Å; H220-R223 PolarHBondContact O-N 2.93Å; H221-R223 VanDerWaalsContact C-N 3.28Å; H221-R223 PolarHBondContact O-N 2.79Å; R223-V225 VanDerWaalsContact C-N 3.34Å; R223-S226 PolarHBondContact O-N 2.98Å
224C55.5Low67Low28 Ų2868.2 Ų68.219%0.18935%0.354CS..Hα-helixtrans-63.8-37.6173.9-66.40000112.5I174 H220 H221 K222 S226 R229I174-C224 HydrophobicContact CD1-CB 3.94Å; I174-C224 WeakPolarHBondContact CD1-O 3.42Å; H220-C224 PolarHBondContact O-N 3.2Å; H220-C224 PolarHBondContact O-SG 3.46Å; H221-C224 CarbonylContact O-C 3.53Å; H221-C224 WeakPolarHBondContact O-CA 3.49Å; H221-C224 VanDerWaalsContact O-CB 3.28Å; H221-C224 WeakPolarHBondContact O-CB 3.41Å; H221-C224 PolarHBondContact O-N 3.09Å; K222-C224 VanDerWaalsContact C-N 3.32Å; K222-C224 PolarHBondContact O-N 2.75Å; C224-S226 VanDerWaalsContact C-N 3.34Å; C224-R229 WeakPolarHBondContact O-CB 3.45Å; C224-R229 VanDerWaalsContact O-CD 3.23Å; C224-R229 WeakPolarHBondContact O-CD 3.46Å
225V63Low67.9Low8 Ų869.7 Ų69.75%0.04836%0.357CS..Hα-helixtrans-91.3-4.5-176.4-174.50000110.5Y184 H221 K222 R223 L231 L260 R263Y184-V225 HydrophobicContact CE1-CB 4.36Å; Y184-V225 HydrophobicContact CE1-CG1 4.43Å; Y184-V225 HydrophobicContact CE1-CG2 4.45Å; Y184-V225 HydrophobicContact CE2-CB 4.45Å; Y184-V225 HydrophobicContact CE2-CG1 4.49Å; Y184-V225 HydrophobicContact CE2-CG2 3.74Å; Y184-V225 WeakPolarHBondContact OH-CB 3.37Å; Y184-V225 WeakPolarHBondContact OH-CG2 3.32Å; H221-V225 WeakPolarHBondContact O-CB 3.24Å; H221-V225 VanDerWaalsContact O-CG2 3.29Å; H221-V225 WeakPolarHBondContact O-CG2 3.4Å; H221-V225 PolarHBondContact O-N 3.42Å; K222-V225 CarbonylContact O-C 3.39Å; K222-V225 PolarHBondContact O-N 3.3Å; R223-V225 VanDerWaalsContact C-N 3.34Å; V225-L231 HydrophobicContact CB-CD2 4.37Å; V225-L231 HydrophobicContact CG1-CD1 3.5Å; V225-L231 HydrophobicContact CG1-CD2 3.88Å; V225-L231 HydrophobicContact CG1-CG 4.33Å; V225-L231 HydrophobicContact CG2-CD2 4.48Å; V225-L260 HydrophobicContact CG1-CD1 4.36Å; V225-R263 PolarHBondContact O-NH1 3.37Å; V225-R263 PolarHBondContact O-NH2 2.92Å
226S65.2Low69Low52 Ų5268.9 Ų68.936%0.36436%0.355SS..SBendtrans-86.2159.9175.1-65.80000112.1K222 R223 C224 R229K222-S226 WeakPolarHBondContact O-CA 3.41Å; K222-S226 WeakPolarHBondContact O-CB 3.41Å; K222-S226 PolarHBondContact O-N 2.91Å; K222-S226 PolarHBondContact O-OG 2.95Å; R223-S226 PolarHBondContact O-N 2.98Å; C224-S226 VanDerWaalsContact C-N 3.34Å; S226-R229 PolarHBondContact O-N 3.32Å; S226-R229 VanDerWaalsContact O-N 3.13Å
227A65Low70.5Confident83 Ų8361.8 Ų61.869%0.68633%0.327SS*.THydrogen-bonded Turntrans-53.7144.5170.900000110.6
228P69Low72.1Confident109 Ų10958.3 Ų58.371%0.70831%0.306SS*.THydrogen-bonded Turncis-87.37.711.835.3-36.7000115.1L172 K230L172-P228 HydrophobicContact CD2-CB 3.92Å; L172-P228 HydrophobicContact CD2-CG 3.72Å; P228-K230 PolarHBondContact O-N 3.49Å
229R74.1Confident74Confident67 Ų6762.2 Ų62.225%0.25333%0.326SS..  trans-73.9123.7-175.5-56.6-160.3-176.7178.5-1.8111.7S171 L172 I174 C224 S226S171-R229 WeakPolarHBondContact O-CD 3.15Å; L172-R229 CarbonylContact O-C 3.57Å; L172-R229 VanDerWaalsContact O-CA 3.23Å; L172-R229 WeakPolarHBondContact O-CA 3.31Å; I174-R229 HydrophobicContact CD1-CB 4.29Å; C224-R229 WeakPolarHBondContact O-CB 3.45Å; C224-R229 VanDerWaalsContact O-CD 3.23Å; C224-R229 WeakPolarHBondContact O-CD 3.46Å; S226-R229 PolarHBondContact O-N 3.32Å; S226-R229 VanDerWaalsContact O-N 3.13Å
230K81.8Confident76.1Confident69 Ų6960.4 Ų60.430%0.332%0.316SS..EExtended strand (participates in β ladder)trans-68.3135.4166.7-177.1178.7178.5175.60110L172 T173 I174 P228 I232 E265L172-K230 WeakPolarHBondContact O-CA 3.31Å; L172-K230 WeakPolarHBondContact O-CB 3.35Å; L172-K230 PolarHBondContact O-N 2.85Å; T173-K230 CarbonylContact C-O 3.35Å; T173-K230 VanDerWaalsContact CA-O 3.28Å; T173-K230 WeakPolarHBondContact CA-O 3.49Å; T173-K230 HydrophobicContact CG2-CD 4.4Å; T173-K230 HydrophobicContact CG2-CG 4.4Å; I174-K230 PolarHBondContact N-O 2.85Å; P228-K230 PolarHBondContact O-N 3.49Å; K230-I232 HydrophobicContact CG-CG2 4.47Å; K230-E265 WeakPolarHBondContact CE-OE1 3.46Å; K230-E265 WeakPolarHBondContact CE-OE2 3.19Å; K230-E265 IonicContact NZ-OE1 2.84Å; K230-E265 PolarHBondContact NZ-OE1 3.08Å; K230-E265 IonicContact NZ-OE2 3.49Å; K230-E265 PolarHBondContact NZ-OE2 3.21Å
231L87.5Confident78.1Confident1 Ų153.6 Ų53.61%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-108.8134.9176.7-51.7174000108.1I174 L176 V225 L260 R263 I264 E265I174-L231 HydrophobicContact CB-CD2 4.14Å; I174-L231 CarbonylContact O-C 3.56Å; I174-L231 WeakPolarHBondContact O-CA 3.3Å; L176-L231 HydrophobicContact CD1-CB 4.18Å; L176-L231 HydrophobicContact CD1-CD1 4.2Å; L176-L231 HydrophobicContact CD1-CD2 4.4Å; L176-L231 HydrophobicContact CD1-CG 4.49Å; V225-L231 HydrophobicContact CB-CD2 4.37Å; V225-L231 HydrophobicContact CG1-CD1 3.5Å; V225-L231 HydrophobicContact CG1-CD2 3.88Å; V225-L231 HydrophobicContact CG1-CG 4.33Å; V225-L231 HydrophobicContact CG2-CD2 4.48Å; L231-L260 HydrophobicContact CD1-CD1 4.46Å; L231-R263 HydrophobicContact CD1-CB 4.07Å; L231-I264 HydrophobicContact CB-CG1 3.94Å; L231-I264 HydrophobicContact CD1-CG1 4.36Å; L231-E265 PolarHBondContact O-N 3.1Å
232I89.5Confident80Confident18 Ų1853.6 Ų53.69%0.09229%0.286CS..EExtended strand (participates in β ladder)trans-123.2145.5173.563.6178000109.9T173 I174 N175 L176 K230 E265 V267 Y293T173-I232 HydrophobicContact CG2-CB 4.38Å; T173-I232 HydrophobicContact CG2-CD1 3.71Å; T173-I232 HydrophobicContact CG2-CG1 3.89Å; T173-I232 HydrophobicContact CG2-CG2 3.66Å; I174-I232 PolarHBondContact O-N 2.83Å; N175-I232 WeakPolarHBondContact CA-O 3.46Å; N175-I232 HydrophobicContact CB-CD1 4.27Å; N175-I232 HydrophobicContact CB-CG1 3.96Å; L176-I232 PolarHBondContact N-O 2.84Å; K230-I232 HydrophobicContact CG-CG2 4.47Å; I232-E265 VanDerWaalsContact CA-O 3.26Å; I232-E265 WeakPolarHBondContact CA-O 3.32Å; I232-E265 HydrophobicContact CG2-CB 4.24Å; I232-V267 HydrophobicContact CB-CG2 4.28Å; I232-V267 HydrophobicContact CG2-CG2 4.34Å; I232-Y293 HydrophobicContact CB-CD1 4.24Å; I232-Y293 HydrophobicContact CB-CE1 4.01Å; I232-Y293 HydrophobicContact CD1-CD1 3.66Å; I232-Y293 HydrophobicContact CD1-CE1 4.07Å; I232-Y293 HydrophobicContact CD1-CG 3.94Å; I232-Y293 HydrophobicContact CG1-CD1 4.11Å; I232-Y293 HydrophobicContact CG1-CE1 4.01Å
233C89.8Confident81.9Confident0 Ų055.3 Ų55.30%029%0.293CS..EExtended strand (participates in β ladder)trans-144.3152.8172.9-162.90000109.7L176 M181 A237 V238 I264 E265 V266 V267 Y293L176-C233 PolarHBondContact O-SG 2.75Å; M181-C233 WeakPolarHBondContact CE-SG 3.48Å; M181-C233 HydrophobicContact SD-CB 4.34Å; M181-C233 VanDerWaalsContact SD-SG 3.66Å; C233-A237 VanDerWaalsContact SG-CB 3.57Å; C233-V238 HydrophobicContact CB-CG2 3.7Å; C233-I264 HydrophobicContact CB-CG2 3.36Å; C233-E265 PolarHBondContact N-O 3.01Å; C233-E265 VanDerWaalsContact N-O 3.09Å; C233-V266 CarbonylContact O-C 3.22Å; C233-V266 VanDerWaalsContact O-CA 3.26Å; C233-V266 WeakPolarHBondContact O-CA 3.26Å; C233-V267 PolarHBondContact O-N 3.47Å; C233-Y293 VanDerWaalsContact C-CE1 3.4Å; C233-Y293 VanDerWaalsContact C-CZ 3.49Å; C233-Y293 WeakPolarHBondContact CA-OH 3.36Å; C233-Y293 WeakPolarHBondContact O-CE1 3.45Å
234C89.3Confident83.6Confident5 Ų548.5 Ų48.53%0.03427%0.271CS..EExtended strand (participates in β ladder)trans-95.9150.9-171.873.60000107.2T236 A237 V238 V267 D269 Y293C234-T236 VanDerWaalsContact C-N 3.26Å; C234-T236 PolarHBondContact O-N 3.32Å; C234-A237 PolarHBondContact O-N 2.87Å; C234-A237 VanDerWaalsContact SG-CB 3.55Å; C234-V238 WeakPolarHBondContact O-CG2 3.46Å; C234-V238 PolarHBondContact O-N 2.93Å; C234-V267 WeakPolarHBondContact CA-O 3.38Å; C234-D269 VanDerWaalsContact CB-OD1 3.28Å; C234-D269 WeakPolarHBondContact CB-OD1 3.47Å; C234-D269 PolarHBondContact SG-OD1 2.91Å; C234-Y293 WeakPolarHBondContact CA-OH 3.33Å; C234-Y293 HydrophobicContact CB-CE1 4.02Å; C234-Y293 HydrophobicContact CB-CE2 3.97Å; C234-Y293 VanDerWaalsContact CB-CZ 3.48Å; C234-Y293 WeakPolarHBondContact CB-OH 3.32Å; C234-Y293 VanDerWaalsContact N-CZ 3.32Å; C234-Y293 PolarHBondContact N-OH 2.87Å
235Q90.3Very high85.4Confident79 Ų7947.5 Ų47.537%0.36926%0.264SS..Hα-helixtrans-53.6-46.2-173.9-168.762.558.100111.7A237 V238 D239 V266 V267Q235-A237 VanDerWaalsContact C-N 3.3Å; Q235-A237 PolarHBondContact O-N 3.28Å; Q235-V238 PolarHBondContact O-N 3.17Å; Q235-D239 PolarHBondContact NE2-OD1 3.35Å; Q235-D239 WeakPolarHBondContact O-CB 3.29Å; Q235-D239 PolarHBondContact O-N 3.48Å; Q235-V266 HydrophobicContact CB-CG1 4.29Å; Q235-V267 PolarHBondContact N-O 2.71Å; Q235-V267 VanDerWaalsContact N-O 3.11Å
236T88.5Confident86.8Confident48 Ų4855.6 Ų55.629%0.29430%0.298SS..Hα-helixtrans-57.9-39.4177.5-67.20000113C234 S240 D269C234-T236 VanDerWaalsContact C-N 3.26Å; C234-T236 PolarHBondContact O-N 3.32Å; T236-S240 WeakPolarHBondContact O-CB 3.39Å; T236-S240 PolarHBondContact O-N 3.35Å; T236-S240 PolarHBondContact O-OG 2.81Å; T236-D269 VanDerWaalsContact CB-OD2 3.24Å; T236-D269 WeakPolarHBondContact CB-OD2 3.46Å; T236-D269 PolarHBondContact N-OD2 3.47Å; T236-D269 VanDerWaalsContact OG1-CG 3.25Å; T236-D269 PolarHBondContact OG1-OD2 3.26Å
237A89.7Confident88.1Confident14 Ų1458.5 Ų58.512%0.11631%0.31CS..Hα-helixtrans-72.3-40.7178.900000111.4M181 C233 C234 Q235 S240 F241M181-A237 HydrophobicContact CE-CB 4.27Å; C233-A237 VanDerWaalsContact SG-CB 3.57Å; C234-A237 PolarHBondContact O-N 2.87Å; C234-A237 VanDerWaalsContact SG-CB 3.55Å; Q235-A237 VanDerWaalsContact C-N 3.3Å; Q235-A237 PolarHBondContact O-N 3.28Å; A237-S240 PolarHBondContact O-N 3.28Å; A237-F241 VanDerWaalsContact O-CB 3.25Å; A237-F241 WeakPolarHBondContact O-CB 3.42Å; A237-F241 PolarHBondContact O-N 2.59Å
238V93.1Very high89.4Confident13 Ų1359.7 Ų59.78%0.07931%0.308CS..Hα-helixtrans-63.5-44.4174.9175.40000111C233 C234 Q235 S240 F241 M242 L261 V266C233-V238 HydrophobicContact CB-CG2 3.7Å; C234-V238 WeakPolarHBondContact O-CG2 3.46Å; C234-V238 PolarHBondContact O-N 2.93Å; Q235-V238 PolarHBondContact O-N 3.17Å; V238-S240 PolarHBondContact O-N 2.98Å; V238-F241 WeakPolarHBondContact O-CB 3.49Å; V238-F241 PolarHBondContact O-N 3.39Å; V238-M242 HydrophobicContact CG1-CG 4.34Å; V238-M242 WeakPolarHBondContact O-CB 3.36Å; V238-M242 WeakPolarHBondContact O-CG 3.44Å; V238-M242 PolarHBondContact O-N 3.28Å; V238-L261 HydrophobicContact CG1-CD2 4.12Å; V238-V266 HydrophobicContact CG2-CG1 4.04Å; V238-V266 HydrophobicContact CG2-CG2 3.99Å
239D93.2Very high90.3Very high86 Ų8655 Ų5546%0.4628%0.281SS..Hα-helixtrans-63.7-43.4179-67.8-15000111.3Q235 F241 M242 K243Q235-D239 PolarHBondContact NE2-OD1 3.35Å; Q235-D239 WeakPolarHBondContact O-CB 3.29Å; Q235-D239 PolarHBondContact O-N 3.48Å; D239-F241 VanDerWaalsContact C-N 3.32Å; D239-F241 PolarHBondContact O-N 2.84Å; D239-M242 PolarHBondContact O-N 2.8Å; D239-K243 WeakPolarHBondContact O-CB 3.32Å; D239-K243 PolarHBondContact O-N 3.07Å
240S92.9Very high91.1Very high48 Ų4852.9 Ų52.934%0.33628%0.279SS..Hα-helixtrans-62.8-40.9175.7-61.30000111.5T236 A237 V238 K243 I244T236-S240 WeakPolarHBondContact O-CB 3.39Å; T236-S240 PolarHBondContact O-N 3.35Å; T236-S240 PolarHBondContact O-OG 2.81Å; A237-S240 PolarHBondContact O-N 3.28Å; V238-S240 PolarHBondContact O-N 2.98Å; S240-K243 PolarHBondContact O-N 2.9Å; S240-I244 WeakPolarHBondContact O-CG1 3.14Å; S240-I244 PolarHBondContact O-N 2.99Å; S240-I244 VanDerWaalsContact O-N 3.09Å
241F94.4Very high91.6Very high0 Ų054.9 Ų54.90%030%0.299CS..Hα-helixtrans-64-48.9177.6176.8-114.3000111.9L178 M181 M182 V185 A237 V238 D239 K243 I244 L245 A257 L261L178-F241 HydrophobicContact CD1-CB 3.53Å; L178-F241 HydrophobicContact CD1-CD2 4.15Å; L178-F241 HydrophobicContact CD1-CG 4.35Å; M181-F241 HydrophobicContact CB-CD2 3.69Å; M181-F241 HydrophobicContact CB-CE1 4.4Å; M181-F241 HydrophobicContact CB-CE2 3.58Å; M181-F241 HydrophobicContact CB-CG 4.16Å; M181-F241 HydrophobicContact CB-CZ 3.93Å; M181-F241 HydrophobicContact CE-CB 3.73Å; M181-F241 HydrophobicContact CE-CD1 4.45Å; M181-F241 HydrophobicContact CE-CD2 4.45Å; M181-F241 HydrophobicContact CE-CG 3.99Å; M181-F241 HydrophobicContact SD-CD1 4.18Å; M181-F241 HydrophobicContact SD-CG 4.24Å; M182-F241 HydrophobicContact CG-CD2 4.12Å; M182-F241 HydrophobicContact CG-CE2 4.29Å; M182-F241 HydrophobicContact SD-CD2 3.61Å; M182-F241 HydrophobicContact SD-CE2 3.62Å; V185-F241 HydrophobicContact CB-CZ 4.45Å; V185-F241 HydrophobicContact CG1-CZ 3.84Å; V185-F241 HydrophobicContact CG2-CE2 3.71Å; V185-F241 HydrophobicContact CG2-CZ 3.79Å; A237-F241 VanDerWaalsContact O-CB 3.25Å; A237-F241 WeakPolarHBondContact O-CB 3.42Å; A237-F241 PolarHBondContact O-N 2.59Å; V238-F241 WeakPolarHBondContact O-CB 3.49Å; V238-F241 PolarHBondContact O-N 3.39Å; D239-F241 VanDerWaalsContact C-N 3.32Å; D239-F241 PolarHBondContact O-N 2.84Å; F241-K243 VanDerWaalsContact C-N 3.29Å; F241-K243 PolarHBondContact O-N 2.87Å; F241-I244 PolarHBondContact O-N 3.19Å; F241-L245 HydrophobicContact CD1-CD1 3.83Å; F241-L245 HydrophobicContact CD2-CD1 4.32Å; F241-L245 HydrophobicContact CE1-CD1 3.37Å; F241-L245 HydrophobicContact CE2-CD1 3.9Å; F241-L245 HydrophobicContact CE2-CG 4.31Å; F241-L245 HydrophobicContact CG-CD1 4.29Å; F241-L245 HydrophobicContact CZ-CD1 3.42Å; F241-L245 VanDerWaalsContact CZ-CD1 3.42Å; F241-L245 HydrophobicContact CZ-CG 4.27Å; F241-L245 PolarHBondContact O-N 3.29Å; F241-A257 HydrophobicContact CE1-CB 4.03Å; F241-A257 HydrophobicContact CZ-CB 4.02Å; F241-L261 HydrophobicContact CD1-CD1 4.35Å; F241-L261 HydrophobicContact CD1-CD2 4.25Å; F241-L261 HydrophobicContact CE1-CD1 4.08Å; F241-L261 HydrophobicContact CE1-CD2 4.28Å; F241-L261 HydrophobicContact CE1-CG 4.16Å
242M95Very high91.8Very high91 Ų9159.8 Ų59.845%0.44832%0.322SS..Hα-helixtrans-63.3-36.6177.6-71.9-59.5-68.900112.2V238 D239 L245 K246 L261V238-M242 HydrophobicContact CG1-CG 4.34Å; V238-M242 WeakPolarHBondContact O-CB 3.36Å; V238-M242 WeakPolarHBondContact O-CG 3.44Å; V238-M242 PolarHBondContact O-N 3.28Å; D239-M242 PolarHBondContact O-N 2.8Å; M242-L245 PolarHBondContact O-N 2.82Å; M242-L245 HydrophobicContact SD-CD1 4.33Å; M242-K246 WeakPolarHBondContact O-CB 3.43Å; M242-K246 PolarHBondContact O-N 2.88Å; M242-L261 HydrophobicContact CG-CD1 4.42Å; M242-L261 HydrophobicContact SD-CD1 3.38Å; M242-L261 WeakPolarHBondContact SD-CD1 3.3Å
243K94.7Very high92Very high141 Ų14160.3 Ų60.361%0.61332%0.324SS*.Hα-helixtrans-62-48.2174.6-173.8176.2-179.5178.80111.5D239 S240 F241 L245 K246 D247D239-K243 WeakPolarHBondContact O-CB 3.32Å; D239-K243 PolarHBondContact O-N 3.07Å; S240-K243 PolarHBondContact O-N 2.9Å; F241-K243 VanDerWaalsContact C-N 3.29Å; F241-K243 PolarHBondContact O-N 2.87Å; K243-L245 PolarHBondContact O-N 2.87Å; K243-K246 PolarHBondContact O-N 2.83Å; K243-D247 VanDerWaalsContact O-CG 3.25Å; K243-D247 PolarHBondContact O-N 3.34Å
244I93.5Very high92.2Very high58 Ų5865.3 Ų65.330%0.29735%0.348SS..Hα-helixtrans-60.7-46.7177.3-67.3170.6000110.5L178 M182 S240 F241 K246 D247 V248L178-I244 HydrophobicContact CD1-CD1 4.19Å; L178-I244 HydrophobicContact CD2-CD1 4.07Å; L178-I244 HydrophobicContact CG-CD1 4.48Å; M182-I244 HydrophobicContact CE-CG2 3.74Å; M182-I244 HydrophobicContact SD-CB 4.35Å; M182-I244 HydrophobicContact SD-CG2 3.79Å; S240-I244 WeakPolarHBondContact O-CG1 3.14Å; S240-I244 PolarHBondContact O-N 2.99Å; S240-I244 VanDerWaalsContact O-N 3.09Å; F241-I244 PolarHBondContact O-N 3.19Å; I244-K246 VanDerWaalsContact C-N 3.28Å; I244-K246 PolarHBondContact O-N 3.1Å; I244-D247 PolarHBondContact O-N 2.83Å; I244-D247 VanDerWaalsContact O-N 3.13Å; I244-V248 HydrophobicContact CG2-CG2 3.71Å; I244-V248 WeakPolarHBondContact O-CG2 3.5Å; I244-V248 PolarHBondContact O-N 3.13Å
245L93.3Very high92.4Very high8 Ų869.4 Ų69.44%0.04237%0.368CS..Hα-helixtrans-61.1-35.9178.4-80.6168.2000113.5V185 F241 M242 K243 G249 E253 A257V185-L245 HydrophobicContact CG2-CD2 4.19Å; F241-L245 HydrophobicContact CD1-CD1 3.83Å; F241-L245 HydrophobicContact CD2-CD1 4.32Å; F241-L245 HydrophobicContact CE1-CD1 3.37Å; F241-L245 HydrophobicContact CE2-CD1 3.9Å; F241-L245 HydrophobicContact CE2-CG 4.31Å; F241-L245 HydrophobicContact CG-CD1 4.29Å; F241-L245 HydrophobicContact CZ-CD1 3.42Å; F241-L245 VanDerWaalsContact CZ-CD1 3.42Å; F241-L245 HydrophobicContact CZ-CG 4.27Å; F241-L245 PolarHBondContact O-N 3.29Å; M242-L245 PolarHBondContact O-N 2.82Å; M242-L245 HydrophobicContact SD-CD1 4.33Å; K243-L245 PolarHBondContact O-N 2.87Å; L245-G249 WeakPolarHBondContact O-CA 3.4Å; L245-G249 PolarHBondContact O-N 2.84Å; L245-E253 HydrophobicContact CD2-CB 4.24Å; L245-A257 HydrophobicContact CD1-CB 3.27Å; L245-A257 HydrophobicContact CD2-CB 4.21Å; L245-A257 HydrophobicContact CG-CB 4.39Å
246K93.8Very high92.4Very high177 Ų17767.7 Ų67.777%0.7736%0.359SS*.Hα-helixtrans-68.6-38.5175.9-174.1-178.2178-176.30111.9M242 K243 I244M242-K246 WeakPolarHBondContact O-CB 3.43Å; M242-K246 PolarHBondContact O-N 2.88Å; K243-K246 PolarHBondContact O-N 2.83Å; I244-K246 VanDerWaalsContact C-N 3.28Å; I244-K246 PolarHBondContact O-N 3.1Å
247D92.7Very high92.6Very high113 Ų11365.6 Ų65.660%0.60435%0.346SS*.Hα-helixtrans-80.2-36.3-174.2-67.4-15.2000112.2K243 I244K243-D247 VanDerWaalsContact O-CG 3.25Å; K243-D247 PolarHBondContact O-N 3.34Å; I244-D247 PolarHBondContact O-N 2.83Å; I244-D247 VanDerWaalsContact O-N 3.13Å
248V90.3Very high92.8Very high108 Ų10872.3 Ų72.366%0.65537%0.373SS*.Hα-helixtrans-132.7-6.9-173.4-61.50000115.4I244I244-V248 HydrophobicContact CG2-CG2 3.71Å; I244-V248 WeakPolarHBondContact O-CG2 3.5Å; I244-V248 PolarHBondContact O-N 3.13Å
249G88.5Confident92.7Very high12 Ų1276.4 Ų76.412%0.12439%0.394CS..  trans-78.5124.5-171.300000114L245 E253 Q254L245-G249 WeakPolarHBondContact O-CA 3.4Å; L245-G249 PolarHBondContact O-N 2.84Å; G249-E253 WeakPolarHBondContact CA-OE2 3.32Å; G249-Q254 PolarHBondContact O-NE2 2.77Å
250G91.9Very high92.6Very high22 Ų2273.1 Ų73.123%0.22738%0.376CS..  trans-70.1170172.800000113.7E252 E253 Q254G250-E252 VanDerWaalsContact C-N 3.33Å; G250-E252 PolarHBondContact O-N 3.44Å; G250-E253 PolarHBondContact N-OE2 3.28Å; G250-E253 PolarHBondContact O-N 2.81Å; G250-Q254 WeakPolarHBondContact O-CG 3.5Å; G250-Q254 PolarHBondContact O-N 3.42Å
251P92.7Very high92.6Very high110 Ų11072.7 Ų72.771%0.71437%0.37SS*.Hα-helixtrans-59.7-39.4-177.222-31.6000113.2Q254 L255P251-Q254 PolarHBondContact O-N 3.05Å; P251-L255 PolarHBondContact O-N 2.82Å
252E91.5Very high92.4Very high104 Ų10477.2 Ų77.249%0.48640%0.402SS..Hα-helixtrans-70-38.2177.4-69.9-59.8130.200112.4G250 L255 R256G250-E252 VanDerWaalsContact C-N 3.33Å; G250-E252 PolarHBondContact O-N 3.44Å; E252-L255 PolarHBondContact O-N 3.27Å; E252-R256 WeakPolarHBondContact O-CG 3.4Å; E252-R256 PolarHBondContact O-N 3.32Å
253E92.8Very high92.2Very high29 Ų2977.8 Ų77.814%0.13640%0.399CS..Hα-helixtrans-65.7-40.9175.7-58.6-177.5124.500110.9V185 S186 D187 L245 G249 G250 R256 A257V185-E253 WeakPolarHBondContact O-CG 3.5Å; S186-E253 WeakPolarHBondContact CA-OE1 3.32Å; D187-E253 HydrophobicContact CB-CG 4.18Å; D187-E253 PolarHBondContact N-OE1 2.85Å; L245-E253 HydrophobicContact CD2-CB 4.24Å; G249-E253 WeakPolarHBondContact CA-OE2 3.32Å; G250-E253 PolarHBondContact N-OE2 3.28Å; G250-E253 PolarHBondContact O-N 2.81Å; E253-R256 PolarHBondContact O-N 3.02Å; E253-A257 VanDerWaalsContact O-CB 3.29Å; E253-A257 WeakPolarHBondContact O-CB 3.4Å; E253-A257 PolarHBondContact O-N 2.95Å
254Q93.5Very high92Very high106 Ų10671.8 Ų71.850%0.49537%0.373SS..Hα-helixtrans-63.8-39.7174.2-69.7-177.332.800112.1G249 G250 P251 A257 K258G249-Q254 PolarHBondContact O-NE2 2.77Å; G250-Q254 WeakPolarHBondContact O-CG 3.5Å; G250-Q254 PolarHBondContact O-N 3.42Å; P251-Q254 PolarHBondContact O-N 3.05Å; Q254-A257 PolarHBondContact O-N 3.04Å; Q254-K258 PolarHBondContact O-N 3.26Å
255L93.3Very high92Very high90 Ų9072.4 Ų72.447%0.47138%0.375SS..Hα-helixtrans-63-47.3175.6-17963.8000111.4P251 E252 A257 K258 N259P251-L255 PolarHBondContact O-N 2.82Å; E252-L255 PolarHBondContact O-N 3.27Å; L255-A257 VanDerWaalsContact C-N 3.32Å; L255-A257 PolarHBondContact O-N 3.35Å; L255-K258 PolarHBondContact O-N 3.22Å; L255-N259 PolarHBondContact O-N 3.22Å; L255-N259 PolarHBondContact O-ND2 3.04Å
256R91.1Very high92Very high43 Ų4374.9 Ų74.916%0.16239%0.391CS..Hα-helixtrans-63.1-38.8175.8-72.1-173.3-64.5-97.61.1111.8V185 D187 E252 E253 N259 L260V185-R256 HydrophobicContact CB-CB 4.17Å; V185-R256 HydrophobicContact CG1-CB 4.1Å; V185-R256 VanDerWaalsContact O-CZ 3.26Å; V185-R256 PolarHBondContact O-NE 3.42Å; V185-R256 PolarHBondContact O-NH2 3.42Å; D187-R256 IonicContact OD1-CZ 3.34Å; D187-R256 IonicContact OD1-NH1 3.14Å; D187-R256 PolarHBondContact OD1-NH1 3.35Å; D187-R256 VanDerWaalsContact OD1-NH1 3.14Å; D187-R256 IonicContact OD1-NH2 2.65Å; D187-R256 PolarHBondContact OD1-NH2 2.77Å; E252-R256 WeakPolarHBondContact O-CG 3.4Å; E252-R256 PolarHBondContact O-N 3.32Å; E253-R256 PolarHBondContact O-N 3.02Å; R256-N259 PolarHBondContact O-N 3.08Å; R256-L260 WeakPolarHBondContact O-CB 3.3Å; R256-L260 PolarHBondContact O-N 2.82Å
257A93.4Very high91.7Very high4 Ų467 Ų673%0.03336%0.357CS..Hα-helixtrans-62-43.3175.700000112.8V185 F241 L245 E253 Q254 L255 N259 L260 L261V185-A257 HydrophobicContact CG1-CB 4Å; F241-A257 HydrophobicContact CE1-CB 4.03Å; F241-A257 HydrophobicContact CZ-CB 4.02Å; L245-A257 HydrophobicContact CD1-CB 3.27Å; L245-A257 HydrophobicContact CD2-CB 4.21Å; L245-A257 HydrophobicContact CG-CB 4.39Å; E253-A257 VanDerWaalsContact O-CB 3.29Å; E253-A257 WeakPolarHBondContact O-CB 3.4Å; E253-A257 PolarHBondContact O-N 2.95Å; Q254-A257 PolarHBondContact O-N 3.04Å; L255-A257 VanDerWaalsContact C-N 3.32Å; L255-A257 PolarHBondContact O-N 3.35Å; A257-N259 VanDerWaalsContact C-N 3.3Å; A257-N259 PolarHBondContact O-N 3.26Å; A257-L260 PolarHBondContact O-N 2.91Å; A257-L261 WeakPolarHBondContact O-CB 3.47Å; A257-L261 WeakPolarHBondContact O-CG 3.18Å; A257-L261 PolarHBondContact O-N 2.9Å
258K93.8Very high91.3Very high156 Ų15669 Ų6968%0.67836%0.363SS*.Hα-helixtrans-60.4-41.3175.9-171.3178.4-180-179.50111.9Q254 L255 S262Q254-K258 PolarHBondContact O-N 3.26Å; L255-K258 PolarHBondContact O-N 3.22Å; K258-S262 PolarHBondContact O-N 2.77Å
259N90.7Very high90.8Very high99 Ų9965.9 Ų65.953%0.52934%0.342SS..Hα-helixtrans-68.9-34.3176.5-74.1-28.2000113.1L255 R256 A257 S262L255-N259 PolarHBondContact O-N 3.22Å; L255-N259 PolarHBondContact O-ND2 3.04Å; R256-N259 PolarHBondContact O-N 3.08Å; A257-N259 VanDerWaalsContact C-N 3.3Å; A257-N259 PolarHBondContact O-N 3.26Å; N259-S262 PolarHBondContact O-OG 2.87Å
260L90.4Very high90Very high16 Ų1667.3 Ų67.38%0.08435%0.35CS..Hα-helixtrans-71.7-49.4176.8-179.761.9000111L176 M181 V185 V225 L231 R256 A257 S262 R263 I264L176-L260 HydrophobicContact CD1-CD1 4.3Å; M181-L260 HydrophobicContact CB-CD2 4.12Å; M181-L260 HydrophobicContact CG-CD2 4.15Å; V185-L260 HydrophobicContact CG1-CD2 4.07Å; V225-L260 HydrophobicContact CG1-CD1 4.36Å; L231-L260 HydrophobicContact CD1-CD1 4.46Å; R256-L260 WeakPolarHBondContact O-CB 3.3Å; R256-L260 PolarHBondContact O-N 2.82Å; A257-L260 PolarHBondContact O-N 2.91Å; L260-S262 VanDerWaalsContact C-N 3.3Å; L260-S262 PolarHBondContact O-N 2.82Å; L260-R263 PolarHBondContact O-N 3.11Å; L260-R263 VanDerWaalsContact O-N 3.1Å; L260-I264 HydrophobicContact CD1-CD1 4.24Å; L260-I264 HydrophobicContact CD2-CD1 4.42Å; L260-I264 HydrophobicContact CG-CD1 3.83Å; L260-I264 WeakPolarHBondContact O-CG1 3.46Å; L260-I264 PolarHBondContact O-N 3.24Å
261L92.6Very high88.9Confident39 Ų3968.5 Ų68.520%0.20435%0.353CS..Hα-helixtrans-65-30.9-177.2-72167.3000113V238 F241 M242 A257 R263 I264V238-L261 HydrophobicContact CG1-CD2 4.12Å; F241-L261 HydrophobicContact CD1-CD1 4.35Å; F241-L261 HydrophobicContact CD1-CD2 4.25Å; F241-L261 HydrophobicContact CE1-CD1 4.08Å; F241-L261 HydrophobicContact CE1-CD2 4.28Å; F241-L261 HydrophobicContact CE1-CG 4.16Å; M242-L261 HydrophobicContact CG-CD1 4.42Å; M242-L261 HydrophobicContact SD-CD1 3.38Å; M242-L261 WeakPolarHBondContact SD-CD1 3.3Å; A257-L261 WeakPolarHBondContact O-CB 3.47Å; A257-L261 WeakPolarHBondContact O-CG 3.18Å; A257-L261 PolarHBondContact O-N 2.9Å; L261-R263 PolarHBondContact O-N 3.29Å; L261-R263 VanDerWaalsContact O-N 3.1Å; L261-I264 HydrophobicContact CD2-CD1 4.3Å; L261-I264 PolarHBondContact O-N 2.69Å; L261-I264 VanDerWaalsContact O-N 3.14Å
262S92.1Very high87.7Confident95 Ų9564.2 Ų64.266%0.66433%0.326SS*.THydrogen-bonded Turntrans-63.3-15.6175.469.10000113.8K258 N259 L260K258-S262 PolarHBondContact O-N 2.77Å; N259-S262 PolarHBondContact O-OG 2.87Å; L260-S262 VanDerWaalsContact C-N 3.3Å; L260-S262 PolarHBondContact O-N 2.82Å
263R89.9Confident86.4Confident104 Ų10464.6 Ų64.639%0.39233%0.327SS..THydrogen-bonded Turntrans-105.5-9.3178.7-62.8-173.360.6-139.1-15113.7V225 L231 L260 L261V225-R263 PolarHBondContact O-NH1 3.37Å; V225-R263 PolarHBondContact O-NH2 2.92Å; L231-R263 HydrophobicContact CD1-CB 4.07Å; L260-R263 PolarHBondContact O-N 3.11Å; L260-R263 VanDerWaalsContact O-N 3.1Å; L261-R263 PolarHBondContact O-N 3.29Å; L261-R263 VanDerWaalsContact O-N 3.1Å
264I91.3Very high85.3Confident14 Ų1467.2 Ų67.27%0.07234%0.336CS..EExtended strand (participates in β ladder)trans-90.9124.1-178.9-69172.6000108.5L176 M181 L231 C233 L260 L261 V266L176-I264 HydrophobicContact CD1-CD1 3.73Å; L176-I264 HydrophobicContact CD1-CG1 4Å; M181-I264 HydrophobicContact CG-CD1 4.36Å; M181-I264 HydrophobicContact SD-CD1 3.87Å; L231-I264 HydrophobicContact CB-CG1 3.94Å; L231-I264 HydrophobicContact CD1-CG1 4.36Å; C233-I264 HydrophobicContact CB-CG2 3.36Å; L260-I264 HydrophobicContact CD1-CD1 4.24Å; L260-I264 HydrophobicContact CD2-CD1 4.42Å; L260-I264 HydrophobicContact CG-CD1 3.83Å; L260-I264 WeakPolarHBondContact O-CG1 3.46Å; L260-I264 PolarHBondContact O-N 3.24Å; L261-I264 HydrophobicContact CD2-CD1 4.3Å; L261-I264 PolarHBondContact O-N 2.69Å; L261-I264 VanDerWaalsContact O-N 3.14Å; I264-V266 HydrophobicContact CG2-CG2 4.46Å
265E92.7Very high84.1Confident71 Ų7162.9 Ų62.933%0.33232%0.318SS..EExtended strand (participates in β ladder)trans-80.7114.9163.5177.8176.4119.800108.8K230 L231 I232 C233 V267K230-E265 WeakPolarHBondContact CE-OE1 3.46Å; K230-E265 WeakPolarHBondContact CE-OE2 3.19Å; K230-E265 IonicContact NZ-OE1 2.84Å; K230-E265 PolarHBondContact NZ-OE1 3.08Å; K230-E265 IonicContact NZ-OE2 3.49Å; K230-E265 PolarHBondContact NZ-OE2 3.21Å; L231-E265 PolarHBondContact O-N 3.1Å; I232-E265 VanDerWaalsContact CA-O 3.26Å; I232-E265 WeakPolarHBondContact CA-O 3.32Å; I232-E265 HydrophobicContact CG2-CB 4.24Å; C233-E265 PolarHBondContact N-O 3.01Å; C233-E265 VanDerWaalsContact N-O 3.09Å; E265-V267 HydrophobicContact CG-CG2 4.39Å
266V92.2Very high83.2Confident61 Ų6164.4 Ų64.437%0.3732%0.321SS..EExtended strand (participates in β ladder)trans-79.1129176.6-169.10000109C233 Q235 V238 I264C233-V266 CarbonylContact O-C 3.22Å; C233-V266 VanDerWaalsContact O-CA 3.26Å; C233-V266 WeakPolarHBondContact O-CA 3.26Å; Q235-V266 HydrophobicContact CB-CG1 4.29Å; V238-V266 HydrophobicContact CG2-CG1 4.04Å; V238-V266 HydrophobicContact CG2-CG2 3.99Å; I264-V266 HydrophobicContact CG2-CG2 4.46Å
267V87.8Confident82.5Confident10 Ų1070.6 Ų70.66%0.06135%0.349CS..EExtended strand (participates in β ladder)trans-116.6143.2-179.5-178.40000109.5I232 C233 C234 Q235 E265 Y293I232-V267 HydrophobicContact CB-CG2 4.28Å; I232-V267 HydrophobicContact CG2-CG2 4.34Å; C233-V267 PolarHBondContact O-N 3.47Å; C234-V267 WeakPolarHBondContact CA-O 3.38Å; Q235-V267 PolarHBondContact N-O 2.71Å; Q235-V267 VanDerWaalsContact N-O 3.11Å; E265-V267 HydrophobicContact CG-CG2 4.39Å; V267-Y293 HydrophobicContact CB-CD1 3.22Å; V267-Y293 HydrophobicContact CB-CE1 3.51Å; V267-Y293 HydrophobicContact CB-CG 4.34Å; V267-Y293 HydrophobicContact CG1-CD1 3.53Å; V267-Y293 HydrophobicContact CG1-CE1 4.28Å; V267-Y293 HydrophobicContact CG1-CG 4.24Å; V267-Y293 HydrophobicContact CG2-CD1 3.48Å; V267-Y293 VanDerWaalsContact CG2-CD1 3.48Å; V267-Y293 HydrophobicContact CG2-CE1 3.81Å
268E84.9Confident81.6Confident156 Ų15673 Ų7373%0.72936%0.361SS*.  trans-61.7141.4178.8-69.8-171.8169.200112.2C270E268-C270 PolarHBondContact O-N 3.23Å; E268-C270 VanDerWaalsContact O-N 3.17Å
269D80.3Confident80.8Confident42 Ų4271.5 Ų71.523%0.22537%0.365CS..  trans-69107.3174.5-77.6-49.3000111.3C234 T236 V290C234-D269 VanDerWaalsContact CB-OD1 3.28Å; C234-D269 WeakPolarHBondContact CB-OD1 3.47Å; C234-D269 PolarHBondContact SG-OD1 2.91Å; T236-D269 VanDerWaalsContact CB-OD2 3.24Å; T236-D269 WeakPolarHBondContact CB-OD2 3.46Å; T236-D269 PolarHBondContact N-OD2 3.47Å; T236-D269 VanDerWaalsContact OG1-CG 3.25Å; T236-D269 PolarHBondContact OG1-OD2 3.26Å; D269-V290 HydrophobicContact CB-CG1 3.35Å; D269-V290 VanDerWaalsContact CG-CG1 3.49Å
270C70.3Confident80.3Confident43 Ų4371.7 Ų71.729%0.29137%0.366SS..PPolyproline II helixtrans-99.6121.1174.2-670000111.8E268 M291 R292E268-C270 PolarHBondContact O-N 3.23Å; E268-C270 VanDerWaalsContact O-N 3.17Å; C270-M291 CarbonylContact O-C 3.49Å; C270-R292 HydrophobicContact CB-CB 4.13Å; C270-R292 WeakPolarHBondContact CB-O 2.95Å; C270-R292 PolarHBondContact N-O 3.42Å; C270-R292 VanDerWaalsContact O-CB 3.27Å; C270-R292 WeakPolarHBondContact O-CB 3.38Å; C270-R292 PolarHBondContact O-N 3.14Å
271V68.6Low79.9Confident47 Ų4773.7 Ų73.729%0.28538%0.381SS..PPolyproline II helixtrans-91.4120173-171.60000109.8A275 K276 I289 V290V271-A275 HydrophobicContact CG1-CB 4.02Å; V271-K276 HydrophobicContact CB-CG 4.37Å; V271-K276 HydrophobicContact CG1-CG 3.59Å; V271-I289 HydrophobicContact CG1-CG2 3.65Å; V271-V290 HydrophobicContact CG2-CB 4.43Å; V271-V290 HydrophobicContact CG2-CG1 4.37Å; V271-V290 HydrophobicContact CG2-CG2 4.03Å
272S68Low78.8Confident20 Ų2077.3 Ų77.314%0.1441%0.409CS..PPolyproline II helixtrans-69147.6174.973.80000111.9R274 A275 K276S272-R274 PolarHBondContact O-N 2.93Å; S272-R274 VanDerWaalsContact O-N 3.12Å; S272-A275 WeakPolarHBondContact O-CA 3.37Å; S272-A275 WeakPolarHBondContact O-CB 3.09Å; S272-A275 PolarHBondContact O-N 3.4Å; S272-A275 WeakPolarHBondContact OG-CB 3.33Å; S272-A275 PolarHBondContact OG-N 3.27Å; S272-A275 VanDerWaalsContact OG-N 3.15Å; S272-K276 PolarHBondContact O-N 2.95Å
273E65.7Low77.8Confident111 Ų11181.6 Ų81.652%0.51942%0.416SS..Hα-helixtrans-53.2-34.7175.2-72.5-55.2124.100112.9K276 K277E273-K276 PolarHBondContact O-N 3.47Å; E273-K276 WeakPolarHBondContact OE1-CE 3.33Å; E273-K276 IonicContact OE1-NZ 2.59Å; E273-K276 PolarHBondContact OE1-NZ 2.85Å; E273-K277 WeakPolarHBondContact O-CG 3.33Å; E273-K277 PolarHBondContact O-N 3.18Å
274R68Low76.9Confident85 Ų8579 Ų7932%0.32141%0.41SS..Hα-helixtrans-67.6-40.9174.9-172.2166.5-175.6-79.5-0112.4S272 K276 K277 L310 I311 S313S272-R274 PolarHBondContact O-N 2.93Å; S272-R274 VanDerWaalsContact O-N 3.12Å; R274-K276 VanDerWaalsContact C-N 3.32Å; R274-K277 PolarHBondContact O-N 3.4Å; R274-L310 HydrophobicContact CB-CD2 4.29Å; R274-I311 WeakPolarHBondContact CD-O 3.38Å; R274-I311 PolarHBondContact NH1-O 3.44Å; R274-I311 VanDerWaalsContact NH1-O 3.1Å; R274-S313 PolarHBondContact NH1-OG 3.29Å
275A68.8Low76Confident15 Ų1583.2 Ų83.212%0.12443%0.427CS..Hα-helixtrans-66.9-35.1176.800000111.4V271 S272 K277 L278 I289V271-A275 HydrophobicContact CG1-CB 4.02Å; S272-A275 WeakPolarHBondContact O-CA 3.37Å; S272-A275 WeakPolarHBondContact O-CB 3.09Å; S272-A275 PolarHBondContact O-N 3.4Å; S272-A275 WeakPolarHBondContact OG-CB 3.33Å; S272-A275 PolarHBondContact OG-N 3.27Å; S272-A275 VanDerWaalsContact OG-N 3.15Å; A275-K277 PolarHBondContact O-N 3.28Å; A275-L278 WeakPolarHBondContact O-CB 3.26Å; A275-L278 PolarHBondContact O-N 2.97Å; A275-L278 VanDerWaalsContact O-N 3.13Å; A275-I289 HydrophobicContact CB-CG2 3.92Å; A275-I289 WeakPolarHBondContact O-CG2 3.5Å
276K73.8Confident74.8Confident121 Ų12184.1 Ų84.153%0.52644%0.44SS..Hα-helixtrans-61-30.3172.7-64-178.5-173.4169.20113.1V271 S272 E273 R274 L278V271-K276 HydrophobicContact CB-CG 4.37Å; V271-K276 HydrophobicContact CG1-CG 3.59Å; S272-K276 PolarHBondContact O-N 2.95Å; E273-K276 PolarHBondContact O-N 3.47Å; E273-K276 WeakPolarHBondContact OE1-CE 3.33Å; E273-K276 IonicContact OE1-NZ 2.59Å; E273-K276 PolarHBondContact OE1-NZ 2.85Å; R274-K276 VanDerWaalsContact C-N 3.32Å; K276-L278 VanDerWaalsContact C-N 3.3Å
277K77.4Confident73.6Confident173 Ų17389.8 Ų89.875%0.75245%0.454SS*.THydrogen-bonded Turntrans-80.1-7178.4-67.8174.6-176.3-175.30113.6E273 R274 A275 T279E273-K277 WeakPolarHBondContact O-CG 3.33Å; E273-K277 PolarHBondContact O-N 3.18Å; R274-K277 PolarHBondContact O-N 3.4Å; A275-K277 PolarHBondContact O-N 3.28Å; K277-T279 PolarHBondContact O-N 3.24Å
278L74.2Confident72.5Confident55 Ų5593.2 Ų93.229%0.28848%0.475SS..SBendtrans-72.4125.9179.5-69.1171.7000110.5A275 K276 L280 I284A275-L278 WeakPolarHBondContact O-CB 3.26Å; A275-L278 PolarHBondContact O-N 2.97Å; A275-L278 VanDerWaalsContact O-N 3.13Å; K276-L278 VanDerWaalsContact C-N 3.3Å; L278-L280 PolarHBondContact O-N 3.12Å; L278-I284 HydrophobicContact CB-CG2 4.48Å
279T77.9Confident71.5Confident124 Ų12487.2 Ų87.276%0.76145%0.448SS*.PPolyproline II helixtrans-67.7127.7172.35.20000110.1K277 S281K277-T279 PolarHBondContact O-N 3.24Å; T279-S281 PolarHBondContact O-N 2.91Å
280L79.7Confident70.3Confident104 Ų10486.8 Ų86.855%0.54545%0.446SS..PPolyproline II helixtrans-60.4137.2174.5-67.6171.3000109.8L278 I284 P286 I289L278-L280 PolarHBondContact O-N 3.12Å; L280-I284 WeakPolarHBondContact CA-O 3.4Å; L280-I284 WeakPolarHBondContact CD2-O 3.37Å; L280-P286 HydrophobicContact CD1-CG 4.1Å; L280-P286 HydrophobicContact CD2-CB 4.33Å; L280-P286 HydrophobicContact CD2-CG 3.82Å; L280-I289 HydrophobicContact CD2-CD1 3.61Å
281S81Confident69.2Low58 Ų5890.3 Ų90.341%0.40646%0.46SS..  trans-146.4173.717766.90000109.9T279 K283 I284T279-S281 PolarHBondContact O-N 2.91Å; S281-K283 PolarHBondContact O-N 2.87Å; S281-K283 VanDerWaalsContact O-N 3.08Å; S281-K283 PolarHBondContact OG-N 3.39Å; S281-I284 PolarHBondContact N-O 3.05Å; S281-I284 CarbonylContact O-C 3.6Å; S281-I284 VanDerWaalsContact O-C 3.22Å; S281-I284 PolarHBondContact O-N 3.02Å; S281-I284 PolarHBondContact OG-N 2.98Å; S281-I284 VanDerWaalsContact OG-N 3.11Å
282S70.9Confident67.9Low114 Ų11490.1 Ų90.180%0.79745%0.454SS*.SBendtrans-54-29.4173.355.40000112.9
283K70.8Confident66.4Low186 Ų18691 Ų9181%0.80946%0.455SS*.SBendtrans-87.5-30.4175.7-63.7-175.1179.3-179.80113.4S281S281-K283 PolarHBondContact O-N 2.87Å; S281-K283 VanDerWaalsContact O-N 3.08Å; S281-K283 PolarHBondContact OG-N 3.39Å
284I69.5Low64.6Low50 Ų5089.5 Ų89.526%0.25646%0.456SS..SBendtrans-111.291.6-178-54.7175.5000108.8L278 L280 S281 I289L278-I284 HydrophobicContact CB-CG2 4.48Å; L280-I284 WeakPolarHBondContact CA-O 3.4Å; L280-I284 WeakPolarHBondContact CD2-O 3.37Å; S281-I284 PolarHBondContact N-O 3.05Å; S281-I284 CarbonylContact O-C 3.6Å; S281-I284 VanDerWaalsContact O-C 3.22Å; S281-I284 PolarHBondContact O-N 3.02Å; S281-I284 PolarHBondContact OG-N 2.98Å; S281-I284 VanDerWaalsContact OG-N 3.11Å; I284-I289 HydrophobicContact CG2-CD1 4.07Å; I284-I289 HydrophobicContact CG2-CG1 3.86Å
285K73.1Confident62.8Low102 Ų10291.7 Ų91.744%0.44347%0.469SS..  trans-83.7156.7175.8-63-176.3-179.8-177.10110R287 T288K285-R287 HydrophobicContact CB-CG 4.09Å; K285-R287 PolarHBondContact O-N 3.38Å; K285-T288 WeakPolarHBondContact O-CA 3.44Å; K285-T288 VanDerWaalsContact O-CB 3.29Å; K285-T288 WeakPolarHBondContact O-CB 3.3Å; K285-T288 PolarHBondContact O-N 3.4Å; K285-T288 PolarHBondContact O-OG1 3.49Å
286P68.7Low60.8Low90 Ų9097.7 Ų97.758%0.58450%0.498SS*.G310 helixtrans-54-41178.6-25.933.9000112.9L280 T288 I289L280-P286 HydrophobicContact CD1-CG 4.1Å; L280-P286 HydrophobicContact CD2-CB 4.33Å; L280-P286 HydrophobicContact CD2-CG 3.82Å; P286-T288 PolarHBondContact O-N 3.49Å; P286-I289 PolarHBondContact O-N 3.48Å
287R66.6Low58.6Low180 Ų18096.8 Ų96.868%0.67950%0.504SS*.G310 helixtrans-61.8-21.9175.870.6179.8-173177.84.3114.6K285K285-R287 HydrophobicContact CB-CG 4.09Å; K285-R287 PolarHBondContact O-N 3.38Å
288T64.7Low56.1Low81 Ų8193.2 Ų93.250%0.49751%0.507SS..G310 helixtrans-84.7-17.9-177.7-44.60000111.8K285 P286 V290K285-T288 WeakPolarHBondContact O-CA 3.44Å; K285-T288 VanDerWaalsContact O-CB 3.29Å; K285-T288 WeakPolarHBondContact O-CB 3.3Å; K285-T288 PolarHBondContact O-N 3.4Å; K285-T288 PolarHBondContact O-OG1 3.49Å; P286-T288 PolarHBondContact O-N 3.49Å; T288-V290 VanDerWaalsContact C-N 3.25Å; T288-V290 PolarHBondContact O-N 3.41Å
289I63.3Low53.7Low30 Ų3099 Ų9915%0.15453%0.532CS..SBendtrans-77.7-17.4-178.9-66.2178.5000111.4V271 A275 L280 I284 P286V271-I289 HydrophobicContact CG1-CG2 3.65Å; A275-I289 HydrophobicContact CB-CG2 3.92Å; A275-I289 WeakPolarHBondContact O-CG2 3.5Å; L280-I289 HydrophobicContact CD2-CD1 3.61Å; I284-I289 HydrophobicContact CG2-CD1 4.07Å; I284-I289 HydrophobicContact CG2-CG1 3.86Å; P286-I289 PolarHBondContact O-N 3.48Å
290V55.2Low51.3Low33 Ų33101.3 Ų101.320%0.254%0.538CS..  trans-95.499.2-174.5-172.10000109.6D269 V271 T288D269-V290 HydrophobicContact CB-CG1 3.35Å; D269-V290 VanDerWaalsContact CG-CG1 3.49Å; V271-V290 HydrophobicContact CG2-CB 4.43Å; V271-V290 HydrophobicContact CG2-CG1 4.37Å; V271-V290 HydrophobicContact CG2-CG2 4.03Å; T288-V290 VanDerWaalsContact C-N 3.25Å; T288-V290 PolarHBondContact O-N 3.41Å
291M47.3Very low48.6Very low118 Ų118103.2 Ų103.258%0.58155%0.549SS*.  trans-171.4109.5162-109.5-169.3-72.700111C270C270-M291 CarbonylContact O-C 3.49Å
292R41.3Very low45.9Very low43 Ų43105.6 Ų105.616%0.16257%0.566CS.*  trans-162.7135.4155-155.9-166.6-156.3143.722.4111.2C270 I309 L310 I311C270-R292 HydrophobicContact CB-CB 4.13Å; C270-R292 WeakPolarHBondContact CB-O 2.95Å; C270-R292 PolarHBondContact N-O 3.42Å; C270-R292 VanDerWaalsContact O-CB 3.27Å; C270-R292 WeakPolarHBondContact O-CB 3.38Å; C270-R292 PolarHBondContact O-N 3.14Å; R292-I309 VanDerWaalsContact CZ-C 3.41Å; R292-I309 PolarHBondContact NH1-O 3.36Å; R292-I309 PolarHBondContact NH2-O 3.14Å; R292-L310 VanDerWaalsContact NH2-CA 3.34Å; R292-I311 HydrophobicContact CG-CD1 4.26Å; R292-I311 VanDerWaalsContact NH2-CG1 3.33Å
293Y36.8Very low43.7Very low39 Ų39105.9 Ų105.915%0.15356%0.563CS.*  trans-95.5130.5170.6-64-103.4000109.9N175 I232 C233 C234 V267N175-Y293 WeakPolarHBondContact ND2-CE2 3.16Å; N175-Y293 WeakPolarHBondContact OD1-CE2 3.28Å; N175-Y293 VanDerWaalsContact OD1-CZ 3.23Å; N175-Y293 PolarHBondContact OD1-OH 3.31Å; I232-Y293 HydrophobicContact CB-CD1 4.24Å; I232-Y293 HydrophobicContact CB-CE1 4.01Å; I232-Y293 HydrophobicContact CD1-CD1 3.66Å; I232-Y293 HydrophobicContact CD1-CE1 4.07Å; I232-Y293 HydrophobicContact CD1-CG 3.94Å; I232-Y293 HydrophobicContact CG1-CD1 4.11Å; I232-Y293 HydrophobicContact CG1-CE1 4.01Å; C233-Y293 VanDerWaalsContact C-CE1 3.4Å; C233-Y293 VanDerWaalsContact C-CZ 3.49Å; C233-Y293 WeakPolarHBondContact CA-OH 3.36Å; C233-Y293 WeakPolarHBondContact O-CE1 3.45Å; C234-Y293 WeakPolarHBondContact CA-OH 3.33Å; C234-Y293 HydrophobicContact CB-CE1 4.02Å; C234-Y293 HydrophobicContact CB-CE2 3.97Å; C234-Y293 VanDerWaalsContact CB-CZ 3.48Å; C234-Y293 WeakPolarHBondContact CB-OH 3.32Å; C234-Y293 VanDerWaalsContact N-CZ 3.32Å; C234-Y293 PolarHBondContact N-OH 2.87Å; V267-Y293 HydrophobicContact CB-CD1 3.22Å; V267-Y293 HydrophobicContact CB-CE1 3.51Å; V267-Y293 HydrophobicContact CB-CG 4.34Å; V267-Y293 HydrophobicContact CG1-CD1 3.53Å; V267-Y293 HydrophobicContact CG1-CE1 4.28Å; V267-Y293 HydrophobicContact CG1-CG 4.24Å; V267-Y293 HydrophobicContact CG2-CD1 3.48Å; V267-Y293 VanDerWaalsContact CG2-CD1 3.48Å; V267-Y293 HydrophobicContact CG2-CE1 3.81Å
294S27.7Very low41.4Very low78 Ų78107.3 Ų107.355%0.54557%0.569SS.*  trans-117.785.7162.331.60000107.8
295F29.7Very low39.2Very low132 Ų132110.5 Ų110.558%0.57959%0.591SS**  trans-154.8100161.9-121.8-84.6000111.5
296L28.2Very low36.8Very low141 Ų141113.7 Ų113.774%0.73861%0.608SS**  trans-140126.1142.9-94.9169.9000106.3A298L296-A298 PolarHBondContact O-N 2.98Å
297P27.4Very low34.7Very low102 Ų102114.7 Ų114.766%0.66261%0.612SS**  trans-69.9129.8178.517.3-11.1000109.4Q299P297-Q299 PolarHBondContact O-N 3.32Å
298A24Very low32.6Very low97 Ų97114.8 Ų114.880%0.80261%0.612SS**  trans-56.5116.3164.800000108.8L296L296-A298 PolarHBondContact O-N 2.98Å
299Q23.2Very low30.8Very low176 Ų176115.2 Ų115.282%0.82261%0.61SS**  trans-173.679.4157-91.2-103.6-18.200108.5P297P297-Q299 PolarHBondContact O-N 3.32Å
300I27.1Very low29Very low173 Ų173116.2 Ų116.289%0.88762%0.616SS**SBendtrans-147.6132.9136.3-57.6-170000106.5
301N23Very low27.7Very low145 Ų145117.7 Ų117.778%0.77562%0.622SS**  trans-62.7155.5-161.8-69.5-42.8000116.5
302S25.4Very low26.6Very low107 Ų107114.1 Ų114.175%0.74861%0.607SS**SBendtrans69.187.8154.5-159.10000117.4
303T24.3Very low25.8Very low120 Ų120115 Ų11574%0.73662%0.619SS**SBend146.1126.7127.247.70000109.6T305T303-T305 PolarHBondContact O-N 3.29Å; T303-T305 PolarHBondContact O-OG1 2.89Å
304K23.8Very low25.3Very low216 Ų216126.8 Ų126.894%0.93966%0.664SS**  trans-7.888.6177.4-67.8174.9176.5175.70115.2
305T22.4Very low25.2Very low117 Ų117129.3 Ų129.372%0.71867%0.67SS**  trans-116.293.4166.5-55.70000108.5T303 V307T303-T305 PolarHBondContact O-N 3.29Å; T303-T305 PolarHBondContact O-OG1 2.89Å; T305-V307 HydrophobicContact CG2-CG2 3.69Å; T305-V307 PolarHBondContact O-N 3.49Å; T305-V307 VanDerWaalsContact O-N 3.17Å
306Q23.3Very low24.9Very low170 Ų170129.1 Ų129.179%0.79467%0.674SS**  trans-72.998161.2-78.4-166.111.400107.8R308Q306-R308 PolarHBondContact O-N 2.96Å
307V23.2Very low24.8Very low111 Ų111128.4 Ų128.467%0.67367%0.671SS**  trans-74.593.1172.2-1780000108.1T305 I309T305-V307 HydrophobicContact CG2-CG2 3.69Å; T305-V307 PolarHBondContact O-N 3.49Å; T305-V307 VanDerWaalsContact O-N 3.17Å; V307-I309 HydrophobicContact CG1-CD1 4.21Å; V307-I309 HydrophobicContact CG1-CG1 3.95Å
308R24Very low24.6Very low182 Ų182130 Ų13069%0.68767%0.671SS**  trans-122.889.8173.4-120.2-177.6-177.3-179.81.2108.8R46 Q306R46-R308 PolarHBondContact NH2-O 2.66Å; Q306-R308 PolarHBondContact O-N 2.96Å
309I26.2Very low24.6Very low89 Ų89132.1 Ų132.146%0.45666%0.663SS.*  trans-83.3139.3178.6-37179000107.2R292 V307R292-I309 VanDerWaalsContact CZ-C 3.41Å; R292-I309 PolarHBondContact NH1-O 3.36Å; R292-I309 PolarHBondContact NH2-O 3.14Å; V307-I309 HydrophobicContact CG1-CD1 4.21Å; V307-I309 HydrophobicContact CG1-CG1 3.95Å
310L25.8Very low24.7Very low52 Ų52129.1 Ų129.127%0.27265%0.653SS.*  trans-134.5136.3168.3-101.1157.2000107.6R46 R274 R292R46-L310 HydrophobicContact CG-CD1 4.41Å; R274-L310 HydrophobicContact CB-CD2 4.29Å; R292-L310 VanDerWaalsContact NH2-CA 3.34Å
311I27.9Very low24.6Very low63 Ų63126 Ų12632%0.32364%0.636SS.*  trans-102.7115.9-175.8-58.2-175.4000112.2R274 R292R274-I311 WeakPolarHBondContact CD-O 3.38Å; R274-I311 PolarHBondContact NH1-O 3.44Å; R274-I311 VanDerWaalsContact NH1-O 3.1Å; R292-I311 HydrophobicContact CG-CD1 4.26Å; R292-I311 VanDerWaalsContact NH2-CG1 3.33Å
312T24.2Very low24.7Very low43 Ų43124.5 Ų124.526%0.26463%0.625SS.*  trans-52.4114.6153.3121.30000117S86S86-T312 WeakPolarHBondContact O-CG2 3.19Å; S86-T312 PolarHBondContact O-OG1 3.27Å
313S23.9Very low24.6Very low62 Ų62126 Ų12643%0.43462%0.615SS.*  trans-81.9108.8165.662.20000109R274R274-S313 PolarHBondContact NH1-OG 3.29Å
314R26.9Very low24.7Very low287 Ų287126.5 Ų126.5100%1.08360%0.604SS**  trans-149.50149.2-77.1-159.3-180-177.92108.9

Retrieved 314 of 314 residues in 2084.2 ms (Link to these results)