A0A077Z5L8_TRITR Loading...

Methyltransf 31 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z5L8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 669 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
1M35Very low54.1Low235 Ų235113.7 Ų113.7100%1.15863%0.63SS**  01000-82171.4171.500107.8V3M1-V3 PolarHBondContact O-N 2.69Å; M1-V3 VanDerWaalsContact O-N 3.12Å
2S31.4Very low56.8Low119 Ų119110.7 Ų110.783%0.83262%0.622SS**  trans-74.692.1169.851.40000107.6L4S2-L4 PolarHBondContact O-N 2.93Å; S2-L4 VanDerWaalsContact O-N 3.15Å
3V39.4Very low59.2Low108 Ų108102.7 Ų102.766%0.65558%0.577SS**  trans-67.6111.7170.5-178.10000106.5M1 M5M1-V3 PolarHBondContact O-N 2.69Å; M1-V3 VanDerWaalsContact O-N 3.12Å; V3-M5 HydrophobicContact CB-CG 4.5Å; V3-M5 HydrophobicContact CG1-CG 3.88Å; V3-M5 PolarHBondContact O-N 3.05Å
4L38.8Very low61Low174 Ų174100.2 Ų100.291%0.91155%0.554SS**  trans-60.886.5158.3-78.2156000106.4S2S2-L4 PolarHBondContact O-N 2.93Å; S2-L4 VanDerWaalsContact O-N 3.15Å
5M42.6Very low62.6Low107 Ų107100.7 Ų100.753%0.52756%0.555SS.*  trans-70.8126.5168.2-82.2-177.314100107.3V3 D9V3-M5 HydrophobicContact CB-CG 4.5Å; V3-M5 HydrophobicContact CG1-CG 3.88Å; V3-M5 PolarHBondContact O-N 3.05Å; M5-D9 WeakPolarHBondContact CB-OD2 3.48Å; M5-D9 VanDerWaalsContact CE-OD2 3.25Å; M5-D9 WeakPolarHBondContact CE-OD2 3.4Å; M5-D9 WeakPolarHBondContact CG-OD2 3.26Å
6S45.7Very low64.2Low72 Ų7299.6 Ų99.650%0.50354%0.543SS..  trans-69.1158.7-178.938.80000111.3T8 D9S6-T8 PolarHBondContact O-N 2.88Å; S6-T8 PolarHBondContact O-OG1 2.94Å; S6-T8 PolarHBondContact OG-OG1 3.36Å; S6-D9 PolarHBondContact O-N 3.3Å
7D58.2Low65.6Low140 Ų14093.8 Ų93.875%0.74951%0.511SS*.Hα-helixtrans-44.6-22.2173-61.3-30.4000113.6D9 D11D7-D9 VanDerWaalsContact C-N 3.34Å; D7-D9 PolarHBondContact O-N 2.9Å; D7-D11 PolarHBondContact O-N 3.11Å; D7-D11 VanDerWaalsContact O-N 3.15Å
8T63.3Low66.7Low82 Ų8291.1 Ų91.150%0.50350%0.496SS..Hα-helixtrans-56-35.8175.159.90000115.3S6 S12S6-T8 PolarHBondContact O-N 2.88Å; S6-T8 PolarHBondContact O-OG1 2.94Å; S6-T8 PolarHBondContact OG-OG1 3.36Å; T8-S12 WeakPolarHBondContact O-CB 3.27Å; T8-S12 PolarHBondContact O-N 2.83Å
9D79.5Confident67.9Low50 Ų5088.6 Ų88.627%0.26749%0.489SS..Hα-helixtrans-76.9-40.8-175.2-71.8-25.3000111.6M5 S6 D7 S12 F13 W401M5-D9 WeakPolarHBondContact CB-OD2 3.48Å; M5-D9 VanDerWaalsContact CE-OD2 3.25Å; M5-D9 WeakPolarHBondContact CE-OD2 3.4Å; M5-D9 WeakPolarHBondContact CG-OD2 3.26Å; S6-D9 PolarHBondContact O-N 3.3Å; D7-D9 VanDerWaalsContact C-N 3.34Å; D7-D9 PolarHBondContact O-N 2.9Å; D9-S12 PolarHBondContact O-N 2.89Å; D9-F13 WeakPolarHBondContact O-CB 3.5Å; D9-F13 PolarHBondContact O-N 3.46Å; D9-W401 HydrophobicContact CB-CZ3 4.38Å; D9-W401 VanDerWaalsContact O-CZ3 3.31Å; D9-W401 WeakPolarHBondContact O-CZ3 3.35Å
10E81Confident69Low75 Ų7584.4 Ų84.435%0.3547%0.465SS..Hα-helixtrans-65.1-44.7174.4-171.1179.9141.400111S12 F13 R14 L405E10-S12 PolarHBondContact O-N 3.34Å; E10-F13 PolarHBondContact O-N 2.83Å; E10-R14 WeakPolarHBondContact O-CB 3.44Å; E10-R14 PolarHBondContact O-N 2.8Å; E10-R14 IonicContact OE1-NH2 3.58Å; E10-L405 HydrophobicContact CG-CD1 3.99Å
11D80.7Confident69.9Low89 Ų8980.4 Ų80.448%0.47644%0.443SS..Hα-helixtrans-61.4-43.8176.7-81-20.2000112.2D7 F13 R14 N15D7-D11 PolarHBondContact O-N 3.11Å; D7-D11 VanDerWaalsContact O-N 3.15Å; D11-F13 VanDerWaalsContact C-N 3.32Å; D11-F13 PolarHBondContact O-N 2.89Å; D11-R14 PolarHBondContact O-N 3.04Å; D11-N15 WeakPolarHBondContact O-CB 3.43Å; D11-N15 VanDerWaalsContact O-CG 3.26Å; D11-N15 PolarHBondContact O-N 3.05Å; D11-N15 PolarHBondContact O-ND2 3.03Å; D11-N15 VanDerWaalsContact O-ND2 3.16Å
12S85.7Confident72.6Confident77 Ų7770.4 Ų70.454%0.53840%0.395SS..Hα-helixtrans-58.6-43.8175.2-178.90000111.6T8 D9 E10 N15 K16T8-S12 WeakPolarHBondContact O-CB 3.27Å; T8-S12 PolarHBondContact O-N 2.83Å; D9-S12 PolarHBondContact O-N 2.89Å; E10-S12 PolarHBondContact O-N 3.34Å; S12-N15 PolarHBondContact O-N 3.33Å; S12-K16 PolarHBondContact O-N 3.18Å
13F88Confident75.5Confident7 Ų766 Ų663%0.03136%0.362CS..Hα-helixtrans-72.3-36.5178.6-178.7-100.4000113.6D9 E10 D11 N15 K16 C17 I386 W401 R402 L405 L406D9-F13 WeakPolarHBondContact O-CB 3.5Å; D9-F13 PolarHBondContact O-N 3.46Å; E10-F13 PolarHBondContact O-N 2.83Å; D11-F13 VanDerWaalsContact C-N 3.32Å; D11-F13 PolarHBondContact O-N 2.89Å; F13-N15 VanDerWaalsContact C-N 3.33Å; F13-K16 WeakPolarHBondContact O-CB 3.25Å; F13-K16 PolarHBondContact O-N 2.97Å; F13-C17 PolarHBondContact O-N 3.44Å; F13-I386 HydrophobicContact CE2-CD1 3.78Å; F13-I386 HydrophobicContact CZ-CD1 3.87Å; F13-I386 HydrophobicContact CZ-CG2 4.32Å; F13-W401 HydrophobicContact CB-CE3 4.4Å; F13-W401 HydrophobicContact CB-CH2 4.1Å; F13-W401 HydrophobicContact CB-CZ3 3.43Å; F13-W401 VanDerWaalsContact CB-CZ3 3.43Å; F13-W401 HydrophobicContact CD1-CZ3 4.47Å; F13-W401 HydrophobicContact CD2-CH2 4.46Å; F13-W401 HydrophobicContact CD2-CZ3 4.37Å; F13-W401 HydrophobicContact CG-CH2 4.38Å; F13-W401 AromaticContact CG-CZ3 3.86Å; F13-W401 HydrophobicContact CG-CZ3 3.86Å; F13-R402 HydrophobicContact CD1-CB 4.13Å; F13-R402 HydrophobicContact CD1-CG 3.8Å; F13-R402 HydrophobicContact CD2-CG 4.06Å; F13-R402 HydrophobicContact CE1-CB 3.74Å; F13-R402 HydrophobicContact CE1-CG 3.76Å; F13-R402 VanDerWaalsContact CE2-CD 3.48Å; F13-R402 HydrophobicContact CE2-CG 4.02Å; F13-R402 HydrophobicContact CG-CG 3.97Å; F13-R402 HydrophobicContact CZ-CB 4.06Å; F13-R402 HydrophobicContact CZ-CG 3.89Å; F13-L405 HydrophobicContact CD1-CD1 3.61Å; F13-L405 HydrophobicContact CE1-CB 4.46Å; F13-L405 HydrophobicContact CE1-CD1 4.17Å; F13-L406 HydrophobicContact CE1-CD1 4.09Å; F13-L406 HydrophobicContact CE1-CD2 4.3Å; F13-L406 HydrophobicContact CE1-CG 4.18Å; F13-L406 HydrophobicContact CZ-CD1 3.92Å; F13-L406 HydrophobicContact CZ-CD2 4.43Å; F13-L406 HydrophobicContact CZ-CG 4.43Å
14R85.1Confident78Confident68 Ų6861 Ų6126%0.25733%0.331SS..Hα-helixtrans-58.1-47.8170.1-174.1-174.6-66-91.66.6110.2E10 D11 K16 C17 M18 L405 E412 I414E10-R14 WeakPolarHBondContact O-CB 3.44Å; E10-R14 PolarHBondContact O-N 2.8Å; E10-R14 IonicContact OE1-NH2 3.58Å; D11-R14 PolarHBondContact O-N 3.04Å; R14-K16 VanDerWaalsContact C-N 3.33Å; R14-K16 PolarHBondContact O-N 3.43Å; R14-C17 PolarHBondContact O-N 2.92Å; R14-M18 WeakPolarHBondContact O-CG 3.41Å; R14-M18 PolarHBondContact O-N 3.49Å; R14-L405 HydrophobicContact CB-CD1 4.09Å; R14-L405 HydrophobicContact CG-CD2 4.38Å; R14-E412 PolarHBondContact NH1-O 2.86Å; R14-I414 HydrophobicContact CG-CD1 4.11Å; R14-I414 VanDerWaalsContact O-CD1 3.31Å; R14-I414 WeakPolarHBondContact O-CD1 3.41Å
15N85.1Confident80.5Confident107 Ų10752.8 Ų52.857%0.57229%0.288SS*.Hα-helixtrans-61.4-40.1177-73.4-31.2000112.3D11 S12 F13 M18 A19D11-N15 WeakPolarHBondContact O-CB 3.43Å; D11-N15 VanDerWaalsContact O-CG 3.26Å; D11-N15 PolarHBondContact O-N 3.05Å; D11-N15 PolarHBondContact O-ND2 3.03Å; D11-N15 VanDerWaalsContact O-ND2 3.16Å; S12-N15 PolarHBondContact O-N 3.33Å; F13-N15 VanDerWaalsContact C-N 3.33Å; N15-M18 PolarHBondContact O-N 3.26Å; N15-A19 WeakPolarHBondContact O-CB 3.43Å; N15-A19 PolarHBondContact O-N 2.97Å
16K87.8Confident83Confident84 Ų8447.7 Ų47.737%0.36526%0.263SS..Hα-helixtrans-60.3-48.7173.6-178180178.3-177.40111.8S12 F13 R14 M18 A19 L20 G384 G385S12-K16 PolarHBondContact O-N 3.18Å; F13-K16 WeakPolarHBondContact O-CB 3.25Å; F13-K16 PolarHBondContact O-N 2.97Å; R14-K16 VanDerWaalsContact C-N 3.33Å; R14-K16 PolarHBondContact O-N 3.43Å; K16-M18 VanDerWaalsContact C-N 3.31Å; K16-M18 PolarHBondContact O-N 3.26Å; K16-A19 WeakPolarHBondContact O-CB 3.4Å; K16-A19 PolarHBondContact O-N 3.17Å; K16-L20 WeakPolarHBondContact O-CG 3.48Å; K16-L20 PolarHBondContact O-N 3.44Å; K16-G384 WeakPolarHBondContact CE-O 3.22Å; K16-G384 PolarHBondContact NZ-O 3.34Å; K16-G385 VanDerWaalsContact NZ-CA 3.29Å; K16-G385 PolarHBondContact NZ-O 3.28Å
17C87.6Confident85.2Confident0 Ų044.3 Ų44.30%024%0.239CC..Hα-helixtrans-60.9-39.5176.4-74.30000111.9F13 R14 L20 C21 I414F13-C17 PolarHBondContact O-N 3.44Å; R14-C17 PolarHBondContact O-N 2.92Å; C17-L20 WeakPolarHBondContact O-CB 3.28Å; C17-L20 PolarHBondContact O-N 3.44Å; C17-C21 PolarHBondContact O-N 3Å; C17-C21 PolarHBondContact O-SG 3.27Å; C17-I414 HydrophobicContact CB-CB 4.48Å; C17-I414 HydrophobicContact CB-CD1 3.45Å; C17-I414 VanDerWaalsContact CB-CD1 3.45Å; C17-I414 HydrophobicContact CB-CG1 4.09Å; C17-I414 HydrophobicContact CB-CG2 3.68Å
18M86.4Confident86.8Confident46 Ų4637.6 Ų37.623%0.22720%0.204CC..Hα-helixtrans-64-41.9175-70.9-57.7-9700111.2R14 N15 K16 L20 C21 N22 I414 M417 M603R14-M18 WeakPolarHBondContact O-CG 3.41Å; R14-M18 PolarHBondContact O-N 3.49Å; N15-M18 PolarHBondContact O-N 3.26Å; K16-M18 VanDerWaalsContact C-N 3.31Å; K16-M18 PolarHBondContact O-N 3.26Å; M18-L20 VanDerWaalsContact C-N 3.34Å; M18-L20 PolarHBondContact O-N 2.98Å; M18-C21 WeakPolarHBondContact O-CB 3.38Å; M18-C21 PolarHBondContact O-N 3.41Å; M18-N22 WeakPolarHBondContact O-CB 3.34Å; M18-N22 PolarHBondContact O-N 3.24Å; M18-I414 HydrophobicContact CB-CD1 4.25Å; M18-I414 HydrophobicContact CG-CD1 3.36Å; M18-I414 HydrophobicContact CG-CG1 4.41Å; M18-I414 HydrophobicContact SD-CD1 3.27Å; M18-I414 WeakPolarHBondContact SD-CD1 3.29Å; M18-I414 HydrophobicContact SD-CG1 3.69Å; M18-M417 HydrophobicContact CE-CE 4.03Å; M18-M417 HydrophobicContact CE-SD 4.18Å; M18-M417 HydrophobicContact SD-CE 3.64Å; M18-M417 HydrophobicContact SD-SD 4.19Å; M18-M603 HydrophobicContact CB-SD 4.01Å; M18-M603 HydrophobicContact CE-CE 4.18Å; M18-M603 HydrophobicContact CE-CG 3.44Å; M18-M603 VanDerWaalsContact CE-CG 3.44Å; M18-M603 HydrophobicContact CE-SD 3.89Å; M18-M603 HydrophobicContact SD-CE 4.45Å; M18-M603 HydrophobicContact SD-CG 4.48Å; M18-M603 HydrophobicContact SD-SD 4.2Å
19A88.5Confident88.3Confident44 Ų4433.7 Ų33.736%0.36418%0.18SC..Hα-helixtrans-63.4-38.4175.900000112.1N15 K16 N23N15-A19 WeakPolarHBondContact O-CB 3.43Å; N15-A19 PolarHBondContact O-N 2.97Å; K16-A19 WeakPolarHBondContact O-CB 3.4Å; K16-A19 PolarHBondContact O-N 3.17Å; A19-N23 VanDerWaalsContact O-CB 3.23Å; A19-N23 WeakPolarHBondContact O-CB 3.34Å; A19-N23 PolarHBondContact O-N 3.18Å; A19-N23 PolarHBondContact O-OD1 3.15Å
20L90.3Very high89Confident4 Ų431.3 Ų31.32%0.02117%0.167CC..Hα-helixtrans-58.4-50172.2-69.1175.7000111.1K16 C17 M18 N23 A24 N331 V334 I386K16-L20 WeakPolarHBondContact O-CG 3.48Å; K16-L20 PolarHBondContact O-N 3.44Å; C17-L20 WeakPolarHBondContact O-CB 3.28Å; C17-L20 PolarHBondContact O-N 3.44Å; M18-L20 VanDerWaalsContact C-N 3.34Å; M18-L20 PolarHBondContact O-N 2.98Å; L20-N23 PolarHBondContact O-N 2.99Å; L20-A24 PolarHBondContact O-N 3.36Å; L20-A24 VanDerWaalsContact O-N 3.1Å; L20-N331 HydrophobicContact CD2-CB 3.61Å; L20-N331 VanDerWaalsContact CD2-CG 3.49Å; L20-V334 HydrophobicContact CD1-CG1 3.78Å; L20-V334 HydrophobicContact CD2-CB 4.07Å; L20-V334 HydrophobicContact CD2-CG1 4Å; L20-I386 HydrophobicContact CD1-CD1 3.88Å
21C88.7Confident89.4Confident1 Ų127.8 Ų27.81%0.00715%0.15CC..Hα-helixtrans-55.8-60.9175-630000110.4C17 M18 N23 A24 Y25 T418 M603C17-C21 PolarHBondContact O-N 3Å; C17-C21 PolarHBondContact O-SG 3.27Å; M18-C21 WeakPolarHBondContact O-CB 3.38Å; M18-C21 PolarHBondContact O-N 3.41Å; C21-N23 PolarHBondContact O-N 3.39Å; C21-N23 VanDerWaalsContact O-N 3.15Å; C21-A24 WeakPolarHBondContact O-CA 3.46Å; C21-A24 VanDerWaalsContact O-CB 3.3Å; C21-A24 WeakPolarHBondContact O-CB 3.42Å; C21-A24 PolarHBondContact O-N 2.8Å; C21-Y25 WeakPolarHBondContact O-CD2 3.23Å; C21-Y25 PolarHBondContact O-N 3.49Å; C21-T418 WeakPolarHBondContact SG-CG2 3.35Å; C21-M603 HydrophobicContact CB-CE 3.91Å; C21-M603 HydrophobicContact CB-SD 4.4Å
22N91.3Very high90Very high25 Ų2523.5 Ų23.513%0.13413%0.128CC..Hα-helixtrans-50.4-45.4-177.6-177.673.9000112.4M18 A24 Y25 V26 M603 G605 C606M18-N22 WeakPolarHBondContact O-CB 3.34Å; M18-N22 PolarHBondContact O-N 3.24Å; N22-A24 VanDerWaalsContact C-N 3.33Å; N22-A24 PolarHBondContact O-N 2.8Å; N22-Y25 PolarHBondContact O-N 2.86Å; N22-V26 WeakPolarHBondContact O-CG2 3.38Å; N22-V26 PolarHBondContact O-N 3.23Å; N22-M603 HydrophobicContact CB-SD 3.71Å; N22-M603 WeakPolarHBondContact OD1-CA 3.43Å; N22-G605 PolarHBondContact OD1-N 3.03Å; N22-C606 PolarHBondContact OD1-N 3.36Å
23N92Very high90.3Very high27 Ų2719.9 Ų19.914%0.14410%0.102CC..Hα-helixtrans-64.7-37.1-180-75.512.2000112.5A19 L20 C21 V26 A27 L328 N331A19-N23 VanDerWaalsContact O-CB 3.23Å; A19-N23 WeakPolarHBondContact O-CB 3.34Å; A19-N23 PolarHBondContact O-N 3.18Å; A19-N23 PolarHBondContact O-OD1 3.15Å; L20-N23 PolarHBondContact O-N 2.99Å; C21-N23 PolarHBondContact O-N 3.39Å; C21-N23 VanDerWaalsContact O-N 3.15Å; N23-V26 PolarHBondContact O-N 3.37Å; N23-A27 WeakPolarHBondContact O-CB 3.44Å; N23-A27 PolarHBondContact O-N 3.21Å; N23-L328 HydrophobicContact CB-CD2 3.73Å; N23-L328 VanDerWaalsContact CG-CD2 3.44Å; N23-L328 WeakPolarHBondContact OD1-CD2 3.32Å; N23-N331 HydrophobicContact CB-CB 3.61Å; N23-N331 PolarHBondContact ND2-ND2 3.17Å
24A90.9Very high90.4Very high1 Ų121.1 Ų21.11%0.00811%0.107CC..Hα-helixtrans-61.8-43.417600000112.4L20 C21 N22 A27 L28 A332 A335 I421L20-A24 PolarHBondContact O-N 3.36Å; L20-A24 VanDerWaalsContact O-N 3.1Å; C21-A24 WeakPolarHBondContact O-CA 3.46Å; C21-A24 VanDerWaalsContact O-CB 3.3Å; C21-A24 WeakPolarHBondContact O-CB 3.42Å; C21-A24 PolarHBondContact O-N 2.8Å; N22-A24 VanDerWaalsContact C-N 3.33Å; N22-A24 PolarHBondContact O-N 2.8Å; A24-A27 PolarHBondContact O-N 2.92Å; A24-L28 PolarHBondContact O-N 3.04Å; A24-L28 VanDerWaalsContact O-N 3.08Å; A24-A332 HydrophobicContact CB-CB 4.04Å; A24-A335 HydrophobicContact CB-CB 3.66Å; A24-I421 HydrophobicContact CB-CD1 3.57Å; A24-I421 WeakPolarHBondContact O-CD1 3.42Å
25Y93Very high90.6Very high3 Ų322 Ų221%0.01211%0.11CC..Hα-helixtrans-68.7-45.9175.9-73.1-88.7000112C21 N22 A27 L28 A29 M417 M420 I421 L424 C606 T609 V610C21-Y25 WeakPolarHBondContact O-CD2 3.23Å; C21-Y25 PolarHBondContact O-N 3.49Å; N22-Y25 PolarHBondContact O-N 2.86Å; Y25-A27 VanDerWaalsContact C-N 3.27Å; Y25-A27 PolarHBondContact O-N 2.88Å; Y25-L28 WeakPolarHBondContact O-CB 3.35Å; Y25-L28 PolarHBondContact O-N 2.9Å; Y25-A29 PolarHBondContact O-N 3.03Å; Y25-M417 PolarHBondContact OH-O 3.15Å; Y25-M420 HydrophobicContact CE1-CG 4.13Å; Y25-M420 HydrophobicContact CE1-SD 4.2Å; Y25-M420 WeakPolarHBondContact OH-CB 3.35Å; Y25-M420 VanDerWaalsContact OH-CG 3.25Å; Y25-M420 WeakPolarHBondContact OH-CG 3.19Å; Y25-I421 PolarHBondContact OH-N 3.47Å; Y25-L424 HydrophobicContact CD1-CD1 4.47Å; Y25-L424 HydrophobicContact CE1-CD1 3.91Å; Y25-C606 HydrophobicContact CD2-CB 4Å; Y25-C606 WeakPolarHBondContact CD2-SG 3.42Å; Y25-C606 VanDerWaalsContact CE2-SG 3.54Å; Y25-C606 HydrophobicContact CG-CB 4.1Å; Y25-C606 VanDerWaalsContact CG-SG 3.55Å; Y25-T609 HydrophobicContact CD1-CG2 4.07Å; Y25-T609 VanDerWaalsContact O-CG2 3.26Å; Y25-T609 WeakPolarHBondContact O-CG2 3.45Å; Y25-T609 PolarHBondContact O-OG1 2.95Å; Y25-V610 HydrophobicContact CD1-CG2 3.93Å; Y25-V610 HydrophobicContact CE1-CG2 3.63Å
26V94Very high90.9Very high0 Ų017.4 Ų17.40%09%0.085CC..Hα-helixtrans-60.7-38.5176.1173.40000111.1N22 N23 L28 A29 L30 L328N22-V26 WeakPolarHBondContact O-CG2 3.38Å; N22-V26 PolarHBondContact O-N 3.23Å; N23-V26 PolarHBondContact O-N 3.37Å; V26-L28 VanDerWaalsContact C-N 3.33Å; V26-L28 PolarHBondContact O-N 3.29Å; V26-A29 PolarHBondContact O-N 3.21Å; V26-L30 HydrophobicContact CG1-CD1 4.09Å; V26-L30 HydrophobicContact CG1-CG 4.4Å; V26-L30 WeakPolarHBondContact O-CB 3.13Å; V26-L30 WeakPolarHBondContact O-CG 3.25Å; V26-L30 PolarHBondContact O-N 3.02Å; V26-L328 HydrophobicContact CB-CD2 4.1Å; V26-L328 HydrophobicContact CG1-CD2 3.95Å
27A92.7Very high91.2Very high0 Ų018.9 Ų18.90%09%0.092CC..Hα-helixtrans-60.8-40.5173.300000112.2N23 A24 Y25 L30 A31 I110 I113 A332N23-A27 WeakPolarHBondContact O-CB 3.44Å; N23-A27 PolarHBondContact O-N 3.21Å; A24-A27 PolarHBondContact O-N 2.92Å; Y25-A27 VanDerWaalsContact C-N 3.27Å; Y25-A27 PolarHBondContact O-N 2.88Å; A27-L30 WeakPolarHBondContact O-CB 3.27Å; A27-L30 PolarHBondContact O-N 2.86Å; A27-A31 PolarHBondContact O-N 3.31Å; A27-I110 HydrophobicContact CB-CG2 3.97Å; A27-I110 WeakPolarHBondContact O-CG2 3.49Å; A27-I113 HydrophobicContact CB-CG2 4.29Å; A27-A332 HydrophobicContact CB-CB 3.79Å
28L91.9Very high91.5Very high0 Ų018.9 Ų18.90%09%0.092CC..Hα-helixtrans-65.2-40.1175.2-173.964.4000112.1A24 Y25 V26 A31 L32 I421 F613A24-L28 PolarHBondContact O-N 3.04Å; A24-L28 VanDerWaalsContact O-N 3.08Å; Y25-L28 WeakPolarHBondContact O-CB 3.35Å; Y25-L28 PolarHBondContact O-N 2.9Å; V26-L28 VanDerWaalsContact C-N 3.33Å; V26-L28 PolarHBondContact O-N 3.29Å; L28-A31 WeakPolarHBondContact O-CB 3.27Å; L28-A31 PolarHBondContact O-N 2.84Å; L28-L32 PolarHBondContact O-N 3.46Å; L28-I421 HydrophobicContact CD2-CG1 4.24Å; L28-F613 HydrophobicContact CD1-CE1 4.26Å; L28-F613 HydrophobicContact CD1-CZ 3.91Å; L28-F613 HydrophobicContact CD2-CD1 4.1Å; L28-F613 HydrophobicContact CD2-CD2 4.26Å; L28-F613 HydrophobicContact CD2-CE1 3.68Å; L28-F613 HydrophobicContact CD2-CE2 3.84Å; L28-F613 HydrophobicContact CD2-CG 4.38Å; L28-F613 HydrophobicContact CD2-CZ 3.56Å; L28-F613 HydrophobicContact CG-CE1 3.93Å; L28-F613 HydrophobicContact CG-CE2 3.74Å; L28-F613 HydrophobicContact CG-CZ 3.36Å
29A94.6Very high91.9Very high0 Ų016.8 Ų16.80%08%0.082CC..Hα-helixtrans-69.7-35.5173.800000112.9Y25 V26 A31 L32 G33 W69 A72 M73 T609Y25-A29 PolarHBondContact O-N 3.03Å; V26-A29 PolarHBondContact O-N 3.21Å; A29-A31 VanDerWaalsContact C-N 3.33Å; A29-L32 WeakPolarHBondContact O-CB 3.47Å; A29-L32 PolarHBondContact O-N 3.24Å; A29-G33 PolarHBondContact O-N 2.99Å; A29-W69 PolarHBondContact O-NE1 2.87Å; A29-A72 HydrophobicContact CB-CB 4.02Å; A29-M73 HydrophobicContact CB-CE 3.48Å; A29-M73 VanDerWaalsContact CB-CE 3.48Å; A29-T609 HydrophobicContact CB-CG2 4.18Å
30L93.3Very high92.1Very high0 Ų016.3 Ų16.30%07%0.073CC..Hα-helixtrans-60.3-43171.5-82166.7000110.8V26 A27 L32 G33 Y34 F39 M73 I78 L107 I110 L328V26-L30 HydrophobicContact CG1-CD1 4.09Å; V26-L30 HydrophobicContact CG1-CG 4.4Å; V26-L30 WeakPolarHBondContact O-CB 3.13Å; V26-L30 WeakPolarHBondContact O-CG 3.25Å; V26-L30 PolarHBondContact O-N 3.02Å; A27-L30 WeakPolarHBondContact O-CB 3.27Å; A27-L30 PolarHBondContact O-N 2.86Å; L30-L32 PolarHBondContact O-N 3.16Å; L30-G33 PolarHBondContact O-N 3.35Å; L30-Y34 PolarHBondContact O-N 2.75Å; L30-F39 HydrophobicContact CD2-CZ 3.75Å; L30-M73 HydrophobicContact CD2-CE 4.41Å; L30-M73 HydrophobicContact CD2-SD 3.64Å; L30-M73 HydrophobicContact CG-CE 4.11Å; L30-M73 HydrophobicContact CG-SD 4.01Å; L30-I78 HydrophobicContact CD1-CD1 4.25Å; L30-I78 HydrophobicContact CD1-CG1 4.37Å; L30-I78 HydrophobicContact CD2-CB 4.45Å; L30-I78 HydrophobicContact CD2-CD1 4.27Å; L30-I78 HydrophobicContact CD2-CG1 3.95Å; L30-I78 HydrophobicContact CD2-CG2 3.85Å; L30-I78 HydrophobicContact CG-CG1 4.47Å; L30-L107 HydrophobicContact CB-CD2 4.47Å; L30-L107 HydrophobicContact CD2-CD2 4.26Å; L30-I110 HydrophobicContact CB-CG2 3.83Å; L30-I110 HydrophobicContact CD1-CD1 4.09Å; L30-I110 HydrophobicContact CD1-CG2 4.35Å; L30-L328 HydrophobicContact CD1-CD1 4.19Å
31A89.7Confident92.3Very high0 Ų018.7 Ų18.70%08%0.083CC..Hα-helixtrans-60.1-41.6175.900000112.2A27 L28 A29 Y34 R35 N111A27-A31 PolarHBondContact O-N 3.31Å; L28-A31 WeakPolarHBondContact O-CB 3.27Å; L28-A31 PolarHBondContact O-N 2.84Å; A29-A31 VanDerWaalsContact C-N 3.33Å; A31-Y34 WeakPolarHBondContact O-CB 3.45Å; A31-Y34 PolarHBondContact O-N 3.12Å; A31-R35 WeakPolarHBondContact O-CG 3.02Å; A31-R35 PolarHBondContact O-N 2.99Å; A31-N111 HydrophobicContact CB-CB 4.38Å
32L92.4Very high92.6Very high0 Ų018.7 Ų18.70%08%0.083CC..Hα-helixtrans-60.7-48172.1-71.7179.9000111.8L28 A29 L30 Y34 R35 L36 T428 I431 L432 F435 L612 F613L28-L32 PolarHBondContact O-N 3.46Å; A29-L32 WeakPolarHBondContact O-CB 3.47Å; A29-L32 PolarHBondContact O-N 3.24Å; L30-L32 PolarHBondContact O-N 3.16Å; L32-Y34 VanDerWaalsContact C-N 3.25Å; L32-Y34 PolarHBondContact O-N 2.9Å; L32-R35 PolarHBondContact O-N 2.83Å; L32-L36 WeakPolarHBondContact O-CB 3.41Å; L32-L36 VanDerWaalsContact O-CG 3.29Å; L32-L36 WeakPolarHBondContact O-CG 3.29Å; L32-L36 PolarHBondContact O-N 2.88Å; L32-T428 HydrophobicContact CD2-CG2 3.71Å; L32-I431 HydrophobicContact CD1-CG2 3.74Å; L32-I431 HydrophobicContact CD2-CG2 4.31Å; L32-L432 HydrophobicContact CD2-CD2 3.48Å; L32-L432 VanDerWaalsContact CD2-CD2 3.48Å; L32-L432 HydrophobicContact CD2-CG 3.63Å; L32-F435 HydrophobicContact CD1-CE2 4.34Å; L32-L612 HydrophobicContact CD1-CD2 3.59Å; L32-L612 HydrophobicContact CD1-CG 4.17Å; L32-F613 HydrophobicContact CD1-CD2 4.19Å; L32-F613 HydrophobicContact CD1-CE1 4.47Å; L32-F613 HydrophobicContact CD1-CE2 3.25Å; L32-F613 HydrophobicContact CD1-CZ 3.41Å; L32-F613 VanDerWaalsContact CD1-CZ 3.41Å; L32-F613 HydrophobicContact CD2-CZ 4.11Å; L32-F613 HydrophobicContact CG-CE2 3.99Å; L32-F613 HydrophobicContact CG-CZ 3.71Å
33G93.5Very high92.5Very high0 Ų019.9 Ų19.90%09%0.088CC..Hα-helixtrans-57.6-39.6178.800000112.9A29 L30 K37 L38A29-G33 PolarHBondContact O-N 2.99Å; L30-G33 PolarHBondContact O-N 3.35Å; G33-K37 WeakPolarHBondContact O-CA 3.48Å; G33-K37 PolarHBondContact O-N 3Å; G33-L38 PolarHBondContact O-N 3.32Å
34Y90.3Very high92.3Very high34 Ų3420.1 Ų20.113%0.1339%0.091CC..Hα-helixtrans-61.9-54173.2177.7-123.4000112L30 A31 L32 L36 K37 L107 P108 N111 D165L30-Y34 PolarHBondContact O-N 2.75Å; A31-Y34 WeakPolarHBondContact O-CB 3.45Å; A31-Y34 PolarHBondContact O-N 3.12Å; L32-Y34 VanDerWaalsContact C-N 3.25Å; L32-Y34 PolarHBondContact O-N 2.9Å; Y34-L36 VanDerWaalsContact C-N 3.26Å; Y34-L36 PolarHBondContact O-N 2.86Å; Y34-K37 PolarHBondContact O-N 3.43Å; Y34-L107 HydrophobicContact CD1-CB 4.37Å; Y34-L107 HydrophobicContact CD2-CB 3.47Å; Y34-L107 VanDerWaalsContact CD2-CB 3.47Å; Y34-L107 HydrophobicContact CD2-CD1 3.62Å; Y34-L107 HydrophobicContact CD2-CG 4.19Å; Y34-L107 HydrophobicContact CE2-CB 4.07Å; Y34-L107 HydrophobicContact CG-CB 3.66Å; Y34-L107 HydrophobicContact CG-CD1 4.14Å; Y34-L107 HydrophobicContact CG-CG 4.47Å; Y34-P108 HydrophobicContact CE1-CG 4.47Å; Y34-N111 HydrophobicContact CD1-CB 3.89Å; Y34-N111 HydrophobicContact CE1-CB 4.37Å; Y34-D165 PolarHBondContact OH-OD2 2.85Å
35R87.8Confident92.1Very high87 Ų8722.7 Ų22.733%0.32811%0.107SC..Hα-helixtrans-65.3-28.7-176.8-69.2-176.870.1-176.3-3.5113.1A31 L32 N111 L432A31-R35 WeakPolarHBondContact O-CG 3.02Å; A31-R35 PolarHBondContact O-N 2.99Å; L32-R35 PolarHBondContact O-N 2.83Å; R35-N111 VanDerWaalsContact CD-OD1 3.31Å; R35-N111 WeakPolarHBondContact CD-OD1 3.37Å; R35-N111 WeakPolarHBondContact CG-OD1 3.41Å; R35-L432 HydrophobicContact CB-CD1 4.19Å; R35-L432 HydrophobicContact CB-CD2 3.86Å; R35-L432 VanDerWaalsContact NE-CD1 3.33Å
36L92.4Very high91.8Very high10 Ų1027.9 Ų27.95%0.05213%0.132CC..THydrogen-bonded Turntrans-90.3-4174.8-62.7169000113.2L32 Y34 L38 Y61 L432 F435L32-L36 WeakPolarHBondContact O-CB 3.41Å; L32-L36 VanDerWaalsContact O-CG 3.29Å; L32-L36 WeakPolarHBondContact O-CG 3.29Å; L32-L36 PolarHBondContact O-N 2.88Å; Y34-L36 VanDerWaalsContact C-N 3.26Å; Y34-L36 PolarHBondContact O-N 2.86Å; L36-L38 HydrophobicContact CB-CD1 4.1Å; L36-L38 HydrophobicContact CB-CG 3.78Å; L36-L38 HydrophobicContact CD1-CD1 3.87Å; L36-L38 HydrophobicContact CD1-CG 4.44Å; L36-L38 PolarHBondContact O-N 2.81Å; L36-Y61 HydrophobicContact CB-CE2 3.97Å; L36-Y61 HydrophobicContact CD2-CE1 4.09Å; L36-Y61 HydrophobicContact CD2-CE2 4.24Å; L36-Y61 WeakPolarHBondContact O-CE2 3.25Å; L36-Y61 PolarHBondContact O-OH 3.48Å; L36-L432 HydrophobicContact CD1-CD2 3.98Å; L36-L432 HydrophobicContact CD2-CD2 3.62Å; L36-L432 HydrophobicContact CG-CD2 3.48Å; L36-L432 VanDerWaalsContact CG-CD2 3.48Å; L36-F435 HydrophobicContact CD1-CB 4.13Å; L36-F435 HydrophobicContact CD1-CD1 3.49Å; L36-F435 VanDerWaalsContact CD1-CD1 3.49Å; L36-F435 HydrophobicContact CD1-CD2 3.63Å; L36-F435 HydrophobicContact CD1-CE1 3.64Å; L36-F435 HydrophobicContact CD1-CE2 3.79Å; L36-F435 HydrophobicContact CD1-CG 3.47Å; L36-F435 VanDerWaalsContact CD1-CG 3.47Å; L36-F435 HydrophobicContact CD1-CZ 3.78Å; L36-F435 HydrophobicContact CD2-CB 4.19Å; L36-F435 HydrophobicContact CD2-CG 4.42Å
37K93.2Very high91.5Very high115 Ų11537 Ų3750%0.517%0.171SC..THydrogen-bonded Turntrans54.130-175.2-55.7-174.3178-171.30114.1G33 Y34 F39 D40 F41G33-K37 WeakPolarHBondContact O-CA 3.48Å; G33-K37 PolarHBondContact O-N 3Å; Y34-K37 PolarHBondContact O-N 3.43Å; K37-F39 PolarHBondContact O-N 2.87Å; K37-D40 WeakPolarHBondContact O-CB 3.48Å; K37-D40 PolarHBondContact O-N 3.2Å; K37-D40 VanDerWaalsContact O-N 3.11Å; K37-F41 VanDerWaalsContact O-CD2 3.26Å; K37-F41 WeakPolarHBondContact O-CD2 3.26Å; K37-F41 WeakPolarHBondContact O-CE2 3.23Å
38L95.2Very high91.3Very high0 Ų040.9 Ų40.90%019%0.192CC..G310 helixtrans-62.7-30.8-173.8-75.7172.6000113.1G33 L36 D40 F41 A59 Y61 V66 W69 F435G33-L38 PolarHBondContact O-N 3.32Å; L36-L38 HydrophobicContact CB-CD1 4.1Å; L36-L38 HydrophobicContact CB-CG 3.78Å; L36-L38 HydrophobicContact CD1-CD1 3.87Å; L36-L38 HydrophobicContact CD1-CG 4.44Å; L36-L38 PolarHBondContact O-N 2.81Å; L38-D40 PolarHBondContact O-N 3.02Å; L38-F41 PolarHBondContact O-N 3.47Å; L38-A59 HydrophobicContact CD2-CB 4.03Å; L38-Y61 HydrophobicContact CD2-CD2 3.7Å; L38-Y61 HydrophobicContact CD2-CE2 4.02Å; L38-V66 HydrophobicContact CD2-CG2 4.23Å; L38-W69 HydrophobicContact CB-CE3 4.16Å; L38-W69 HydrophobicContact CB-CH2 3.46Å; L38-W69 VanDerWaalsContact CB-CH2 3.46Å; L38-W69 HydrophobicContact CB-CZ2 3.89Å; L38-W69 HydrophobicContact CB-CZ3 3.61Å; L38-W69 HydrophobicContact CD1-CD2 3.54Å; L38-W69 HydrophobicContact CD1-CE3 3.58Å; L38-W69 HydrophobicContact CD1-CG 4.03Å; L38-W69 HydrophobicContact CD1-CH2 4.27Å; L38-W69 HydrophobicContact CD1-CZ2 4.23Å; L38-W69 HydrophobicContact CD1-CZ3 3.96Å; L38-W69 HydrophobicContact CG-CE3 4.44Å; L38-W69 HydrophobicContact CG-CZ3 4.35Å; L38-F435 HydrophobicContact CD1-CD1 4.41Å; L38-F435 HydrophobicContact CD1-CE1 3.89Å
39F94.6Very high91.3Very high2 Ų241.4 Ų41.41%0.00920%0.197CC..G310 helixtrans-63.2-27.2177.6-59.8-68.8000113.5L30 K37 F41 L42 W69 M73 I78 V79 L90 L98 L107L30-F39 HydrophobicContact CD2-CZ 3.75Å; K37-F39 PolarHBondContact O-N 2.87Å; F39-F41 PolarHBondContact O-N 3.19Å; F39-L42 HydrophobicContact CD1-CD1 4.47Å; F39-L42 PolarHBondContact O-N 3.36Å; F39-W69 AromaticContact CD1-CH2 3.89Å; F39-W69 HydrophobicContact CD1-CH2 3.89Å; F39-W69 HydrophobicContact CD1-CZ2 4.2Å; F39-W69 AromaticContact CE1-CH2 3.66Å; F39-W69 HydrophobicContact CE1-CH2 3.66Å; F39-W69 AromaticContact CE1-CZ2 3.6Å; F39-W69 HydrophobicContact CE1-CZ2 3.6Å; F39-W69 AromaticContact CE2-CZ2 3.99Å; F39-W69 HydrophobicContact CE2-CZ2 3.99Å; F39-W69 HydrophobicContact CG-CH2 4.44Å; F39-W69 HydrophobicContact CZ-CH2 4.02Å; F39-W69 AromaticContact CZ-CZ2 3.47Å; F39-W69 HydrophobicContact CZ-CZ2 3.47Å; F39-W69 VanDerWaalsContact CZ-CZ2 3.47Å; F39-M73 HydrophobicContact CE1-SD 4.17Å; F39-M73 HydrophobicContact CZ-SD 3.94Å; F39-I78 HydrophobicContact CE1-CG2 3.98Å; F39-I78 HydrophobicContact CZ-CG2 4.48Å; F39-V79 HydrophobicContact CE1-CG2 4.42Å; F39-L90 HydrophobicContact CB-CD2 4.2Å; F39-L90 HydrophobicContact CD1-CD2 4.19Å; F39-L98 WeakPolarHBondContact CB-O 3.28Å; F39-L98 HydrophobicContact CD1-CB 4.42Å; F39-L98 WeakPolarHBondContact CD2-O 3.26Å; F39-L98 HydrophobicContact CG-CB 4.26Å; F39-L107 HydrophobicContact CD2-CD1 3.68Å; F39-L107 HydrophobicContact CE2-CD1 3.72Å; F39-L107 HydrophobicContact CE2-CD2 4.16Å
40D92.9Very high91.3Very high34 Ų3442.9 Ų42.918%0.18220%0.204CC..G310 helixtrans-69.6-19.1-178.8-61.6-12.8000112K37 L38 R99 S100K37-D40 WeakPolarHBondContact O-CB 3.48Å; K37-D40 PolarHBondContact O-N 3.2Å; K37-D40 VanDerWaalsContact O-N 3.11Å; L38-D40 PolarHBondContact O-N 3.02Å; D40-R99 WeakPolarHBondContact OD1-CA 3.38Å; D40-R99 WeakPolarHBondContact OD1-CB 3.34Å; D40-S100 PolarHBondContact OD1-N 3.17Å; D40-S100 VanDerWaalsContact OD2-CB 3.31Å; D40-S100 WeakPolarHBondContact OD2-CB 3.49Å; D40-S100 PolarHBondContact OD2-OG 2.97Å
41F94.2Very high91.5Very high54 Ų5445.6 Ų45.624%0.23722%0.221CC..G310 helixtrans-97.9-4.6-177.4-58.3-78.4000114.1K37 L38 F39 Q50 V55 R58 A59K37-F41 VanDerWaalsContact O-CD2 3.26Å; K37-F41 WeakPolarHBondContact O-CD2 3.26Å; K37-F41 WeakPolarHBondContact O-CE2 3.23Å; L38-F41 PolarHBondContact O-N 3.47Å; F39-F41 PolarHBondContact O-N 3.19Å; F41-Q50 PolarHBondContact O-OE1 2.71Å; F41-V55 HydrophobicContact CB-CG1 4.27Å; F41-R58 HydrophobicContact CD1-CB 3.83Å; F41-R58 HydrophobicContact CE1-CB 4.49Å; F41-R58 WeakPolarHBondContact CE1-O 3.47Å; F41-R58 HydrophobicContact CG-CB 4.5Å; F41-R58 PolarHBondContact O-NH1 3.01Å; F41-A59 HydrophobicContact CD1-CB 4.41Å; F41-A59 HydrophobicContact CD2-CB 3.64Å; F41-A59 HydrophobicContact CE1-CB 4.43Å; F41-A59 HydrophobicContact CE2-CB 3.67Å; F41-A59 HydrophobicContact CG-CB 4.02Å; F41-A59 HydrophobicContact CZ-CB 4.08Å
42L94.1Very high91.9Very high1 Ų146.2 Ų46.21%0.00523%0.225CC..SBendtrans-89.4139178.9-74.4170.2000111.9F39 V55 W69 L70 V79 L90 R95F39-L42 HydrophobicContact CD1-CD1 4.47Å; F39-L42 PolarHBondContact O-N 3.36Å; L42-V55 HydrophobicContact CD2-CG2 3.75Å; L42-W69 HydrophobicContact CD1-CH2 4.42Å; L42-W69 HydrophobicContact CD1-CZ3 4.43Å; L42-L70 HydrophobicContact CD1-CD2 4.34Å; L42-L70 HydrophobicContact CD2-CD2 4.05Å; L42-V79 HydrophobicContact CD1-CG1 4.28Å; L42-V79 HydrophobicContact CD1-CG2 3.7Å; L42-L90 HydrophobicContact CB-CB 3.97Å; L42-L90 HydrophobicContact CD1-CB 4.23Å; L42-R95 PolarHBondContact O-NH2 3.47Å
43E90.8Very high92.1Very high50 Ų5048.7 Ų48.723%0.23425%0.245CC..  trans-75.9166.8176.4-63-53.4152.700113.9D48 Q50 R58 W89 L90 R95E43-D48 HydrophobicContact CB-CB 3.75Å; E43-D48 VanDerWaalsContact CB-O 3.26Å; E43-D48 WeakPolarHBondContact CB-O 3.41Å; E43-D48 HydrophobicContact CG-CB 4.06Å; E43-D48 VanDerWaalsContact CG-O 3.28Å; E43-D48 WeakPolarHBondContact CG-O 3.18Å; E43-Q50 HydrophobicContact CB-CG 4.46Å; E43-Q50 HydrophobicContact CG-CG 3.83Å; E43-R58 IonicContact OE1-CZ 3.13Å; E43-R58 IonicContact OE1-NH1 3.72Å; E43-R58 PolarHBondContact OE1-NH1 3.1Å; E43-R58 IonicContact OE1-NH2 2.82Å; E43-R58 PolarHBondContact OE1-NH2 3.32Å; E43-W89 WeakPolarHBondContact O-CA 3.33Å; E43-W89 WeakPolarHBondContact O-CB 3.27Å; E43-L90 PolarHBondContact O-N 3.02Å; E43-R95 IonicContact OE2-NH2 3.99Å
44S87Confident92.3Very high31 Ų3150.4 Ų50.422%0.21726%0.26CS..SBendtrans-92.8-16.1-171.7370000115.5L90 R95S44-L90 WeakPolarHBondContact CA-O 3.41Å; S44-R95 PolarHBondContact OG-NH1 3.27Å
45T85.9Confident92.6Very high56 Ų5648.8 Ų48.834%0.34425%0.253SS..SBendtrans-130.2155.7-173.182.50000110.4K47 D48 G49 W89T45-K47 VanDerWaalsContact C-N 3.27Å; T45-K47 PolarHBondContact O-N 2.87Å; T45-K47 PolarHBondContact OG1-N 2.96Å; T45-D48 CarbonylContact O-C 3.57Å; T45-D48 PolarHBondContact O-N 2.92Å; T45-D48 PolarHBondContact OG1-N 3.34Å; T45-D48 PolarHBondContact OG1-OD2 2.62Å; T45-G49 PolarHBondContact O-N 2.95Å; T45-G49 VanDerWaalsContact O-N 3.07Å; T45-W89 WeakPolarHBondContact O-CB 3.46Å
46E86.3Confident93.1Very high112 Ų11244.7 Ų44.752%0.52324%0.238SC..SBendtrans-58.8-39.7173.1179.7171.9-167.100112.2D48 G49 W89E46-D48 PolarHBondContact O-N 3.12Å; E46-G49 WeakPolarHBondContact O-CA 3.38Å; E46-G49 PolarHBondContact O-N 3Å; E46-W89 HydrophobicContact CB-CD2 4.06Å; E46-W89 HydrophobicContact CB-CE3 4.08Å; E46-W89 HydrophobicContact CB-CH2 3.67Å; E46-W89 HydrophobicContact CB-CZ2 3.65Å; E46-W89 HydrophobicContact CB-CZ3 3.87Å; E46-W89 HydrophobicContact CG-CE3 4.24Å; E46-W89 HydrophobicContact CG-CH2 3.55Å; E46-W89 HydrophobicContact CG-CZ2 4.07Å; E46-W89 HydrophobicContact CG-CZ3 3.63Å
47K88Confident93.3Very high190 Ų19049 Ų4983%0.82627%0.269SS*.THydrogen-bonded Turntrans-57.5-37.6179.4-175.8-178176.1-174.40111.8T45T45-K47 VanDerWaalsContact C-N 3.27Å; T45-K47 PolarHBondContact O-N 2.87Å; T45-K47 PolarHBondContact OG1-N 2.96Å
48D89.2Confident93.4Very high83 Ų8349.1 Ų49.144%0.44427%0.266SS..THydrogen-bonded Turntrans-96.37.3179.2-50.8-52.1000112.2E43 T45 E46 Q50E43-D48 HydrophobicContact CB-CB 3.75Å; E43-D48 VanDerWaalsContact CB-O 3.26Å; E43-D48 WeakPolarHBondContact CB-O 3.41Å; E43-D48 HydrophobicContact CG-CB 4.06Å; E43-D48 VanDerWaalsContact CG-O 3.28Å; E43-D48 WeakPolarHBondContact CG-O 3.18Å; T45-D48 CarbonylContact O-C 3.57Å; T45-D48 PolarHBondContact O-N 2.92Å; T45-D48 PolarHBondContact OG1-N 3.34Å; T45-D48 PolarHBondContact OG1-OD2 2.62Å; E46-D48 PolarHBondContact O-N 3.12Å; D48-Q50 WeakPolarHBondContact O-CG 3.24Å
49G91.5Very high93.4Very high10 Ų1049.9 Ų49.910%0.10327%0.273CS..  trans-55.3139.4-178.500000112.2T45 E46 Y88T45-G49 PolarHBondContact O-N 2.95Å; T45-G49 VanDerWaalsContact O-N 3.07Å; E46-G49 WeakPolarHBondContact O-CA 3.38Å; E46-G49 PolarHBondContact O-N 3Å; G49-Y88 WeakPolarHBondContact CA-O 3.3Å
50Q95.2Very high93.5Very high31 Ų3151.7 Ų51.715%0.14529%0.292CS..EExtended strand (participates in β ladder)trans-112.7146.7-168.7-61.1-168-49.300111.5F41 E43 D48 A54 V55 R58 K87 Y88F41-Q50 PolarHBondContact O-OE1 2.71Å; E43-Q50 HydrophobicContact CB-CG 4.46Å; E43-Q50 HydrophobicContact CG-CG 3.83Å; D48-Q50 WeakPolarHBondContact O-CG 3.24Å; Q50-A54 HydrophobicContact CB-CB 4.29Å; Q50-V55 HydrophobicContact CB-CG2 3.83Å; Q50-R58 VanDerWaalsContact CD-NH1 3.31Å; Q50-K87 CarbonylContact O-C 3.57Å; Q50-K87 WeakPolarHBondContact O-CA 3.49Å; Q50-Y88 PolarHBondContact N-O 2.85Å; Q50-Y88 WeakPolarHBondContact O-CD2 3.32Å; Q50-Y88 PolarHBondContact O-N 3.05Å
51T97.5Very high93.6Very high57 Ų5752.4 Ų52.435%0.3529%0.293SS..EExtended strand (participates in β ladder)trans-72.4157.7171.263.60000110.9A53 A54 V55 T86 K87T51-A53 PolarHBondContact O-N 3.44Å; T51-A54 PolarHBondContact O-N 3.46Å; T51-A54 PolarHBondContact OG1-N 3Å; T51-V55 PolarHBondContact O-N 3.19Å; T51-T86 WeakPolarHBondContact CA-O 3.42Å; T51-K87 HydrophobicContact CG2-CG 4.32Å
52S97.2Very high93.5Very high13 Ų1352.7 Ų52.79%0.09129%0.294CS..Hα-helixtrans-53.2-39172.951.50000112.1V55 A56 E63S52-V55 PolarHBondContact O-N 2.87Å; S52-A56 WeakPolarHBondContact O-CB 3.37Å; S52-A56 PolarHBondContact O-N 3.07Å; S52-E63 WeakPolarHBondContact CB-OE1 3.17Å; S52-E63 PolarHBondContact OG-OE1 2.67Å
53A97.5Very high93.6Very high52 Ų5255.4 Ų55.443%0.4331%0.307SS..Hα-helixtrans-62.7-41.417600000112.9T51 S57 E63T51-A53 PolarHBondContact O-N 3.44Å; A53-S57 VanDerWaalsContact O-CB 3.32Å; A53-S57 WeakPolarHBondContact O-CB 3.43Å; A53-S57 PolarHBondContact O-N 3.36Å; A53-E63 HydrophobicContact CB-CG 3.94Å
54A97.2Very high93.8Very high36 Ų3654.2 Ų54.230%0.29830%0.3SS..Hα-helixtrans-67.4-45.5178.100000111.6Q50 T51 S57 R58Q50-A54 HydrophobicContact CB-CB 4.29Å; T51-A54 PolarHBondContact O-N 3.46Å; T51-A54 PolarHBondContact OG1-N 3Å; A54-S57 PolarHBondContact O-N 3.25Å; A54-R58 WeakPolarHBondContact O-CG 3.43Å; A54-R58 PolarHBondContact O-N 2.88Å
55V97.1Very high94.2Very high0 Ų052.7 Ų52.70%029%0.29CS..Hα-helixtrans-60.4-47.7175.9178.60000110.4F41 L42 Q50 T51 S52 S57 R58 A59 V66F41-V55 HydrophobicContact CB-CG1 4.27Å; L42-V55 HydrophobicContact CD2-CG2 3.75Å; Q50-V55 HydrophobicContact CB-CG2 3.83Å; T51-V55 PolarHBondContact O-N 3.19Å; S52-V55 PolarHBondContact O-N 2.87Å; V55-S57 PolarHBondContact O-N 3.33Å; V55-R58 PolarHBondContact O-N 3.39Å; V55-A59 WeakPolarHBondContact O-CB 3.4Å; V55-A59 PolarHBondContact O-N 3.26Å; V55-V66 HydrophobicContact CB-CG1 4.16Å; V55-V66 HydrophobicContact CG1-CG1 3.91Å
56A97.2Very high94.7Very high2 Ų250 Ų502%0.01727%0.273CS..Hα-helixtrans-62.1-42.9179.700000112.8S52 A59 G60 Y61 E63 V66S52-A56 WeakPolarHBondContact O-CB 3.37Å; S52-A56 PolarHBondContact O-N 3.07Å; A56-A59 PolarHBondContact O-N 3.13Å; A56-G60 PolarHBondContact O-N 3.29Å; A56-Y61 WeakPolarHBondContact CB-O 3.43Å; A56-Y61 PolarHBondContact O-N 2.97Å; A56-E63 HydrophobicContact CB-CB 3.98Å; A56-E63 HydrophobicContact CB-CG 4.42Å; A56-V66 HydrophobicContact CB-CB 3.95Å; A56-V66 HydrophobicContact CB-CG1 4.2Å; A56-V66 HydrophobicContact CB-CG2 3.78Å
57S96.8Very high95.3Very high100 Ų10049.7 Ų49.770%0.69927%0.267SS*.Hα-helixtrans-63.4-40.8176.8-173.90000112.2A53 A54 V55A53-S57 VanDerWaalsContact O-CB 3.32Å; A53-S57 WeakPolarHBondContact O-CB 3.43Å; A53-S57 PolarHBondContact O-N 3.36Å; A54-S57 PolarHBondContact O-N 3.25Å; V55-S57 PolarHBondContact O-N 3.33Å
58R96.2Very high95.7Very high117 Ų11741.1 Ų41.144%0.44223%0.23SC..Hα-helixtrans-67.6-38.9177.6-71.2174.871.1179.115.1111.9F41 E43 Q50 A54 V55F41-R58 HydrophobicContact CD1-CB 3.83Å; F41-R58 HydrophobicContact CE1-CB 4.49Å; F41-R58 WeakPolarHBondContact CE1-O 3.47Å; F41-R58 HydrophobicContact CG-CB 4.5Å; F41-R58 PolarHBondContact O-NH1 3.01Å; E43-R58 IonicContact OE1-CZ 3.13Å; E43-R58 IonicContact OE1-NH1 3.72Å; E43-R58 PolarHBondContact OE1-NH1 3.1Å; E43-R58 IonicContact OE1-NH2 2.82Å; E43-R58 PolarHBondContact OE1-NH2 3.32Å; Q50-R58 VanDerWaalsContact CD-NH1 3.31Å; A54-R58 WeakPolarHBondContact O-CG 3.43Å; A54-R58 PolarHBondContact O-N 2.88Å; V55-R58 PolarHBondContact O-N 3.39Å
59A95.2Very high96.1Very high16 Ų1637.1 Ų37.113%0.13221%0.209CC..Hα-helixtrans-81.2-14.5-179.200000113.6L38 F41 V55 A56 Y61L38-A59 HydrophobicContact CD2-CB 4.03Å; F41-A59 HydrophobicContact CD1-CB 4.41Å; F41-A59 HydrophobicContact CD2-CB 3.64Å; F41-A59 HydrophobicContact CE1-CB 4.43Å; F41-A59 HydrophobicContact CE2-CB 3.67Å; F41-A59 HydrophobicContact CG-CB 4.02Å; F41-A59 HydrophobicContact CZ-CB 4.08Å; V55-A59 WeakPolarHBondContact O-CB 3.4Å; V55-A59 PolarHBondContact O-N 3.26Å; A56-A59 PolarHBondContact O-N 3.13Å; A59-Y61 HydrophobicContact CB-CD2 3.4Å; A59-Y61 VanDerWaalsContact CB-CD2 3.4Å; A59-Y61 HydrophobicContact CB-CE2 3.78Å; A59-Y61 HydrophobicContact CB-CG 4.33Å
60G95.7Very high96.4Very high41 Ų4136.7 Ų36.742%0.42320%0.204SC..THydrogen-bonded Turntrans76.130.2-177.500000113.8A56 P437A56-G60 PolarHBondContact O-N 3.29Å; G60-P437 WeakPolarHBondContact O-CD 3.4Å; G60-P437 WeakPolarHBondContact O-CG 3.42Å
61Y95.3Very high96.5Very high48 Ų4835.3 Ų35.319%0.18820%0.198CC..  trans-118.1164.7-174.7-63.6-47.3000113.2L36 L38 A56 A59 E63 F435L36-Y61 HydrophobicContact CB-CE2 3.97Å; L36-Y61 HydrophobicContact CD2-CE1 4.09Å; L36-Y61 HydrophobicContact CD2-CE2 4.24Å; L36-Y61 WeakPolarHBondContact O-CE2 3.25Å; L36-Y61 PolarHBondContact O-OH 3.48Å; L38-Y61 HydrophobicContact CD2-CD2 3.7Å; L38-Y61 HydrophobicContact CD2-CE2 4.02Å; A56-Y61 WeakPolarHBondContact CB-O 3.43Å; A56-Y61 PolarHBondContact O-N 2.97Å; A59-Y61 HydrophobicContact CB-CD2 3.4Å; A59-Y61 VanDerWaalsContact CB-CD2 3.4Å; A59-Y61 HydrophobicContact CB-CE2 3.78Å; A59-Y61 HydrophobicContact CB-CG 4.33Å; Y61-E63 PolarHBondContact O-N 2.9Å; Y61-F435 CarbonylContact C-O 3.55Å; Y61-F435 WeakPolarHBondContact CA-O 3.26Å; Y61-F435 WeakPolarHBondContact CB-O 3.25Å; Y61-F435 HydrophobicContact CD1-CB 3.95Å; Y61-F435 WeakPolarHBondContact CD1-O 3.49Å; Y61-F435 HydrophobicContact CG-CB 4.14Å
62K93.5Very high96.5Very high61 Ų6132.6 Ų32.627%0.26518%0.181SC..  trans-71.5117.4176.8-171.9163.7-170.9156.60110.7R64 Y65 V66 F435 Q436K62-R64 VanDerWaalsContact C-N 3.28Å; K62-R64 PolarHBondContact O-N 3.44Å; K62-R64 VanDerWaalsContact O-N 3.16Å; K62-Y65 HydrophobicContact CB-CD2 4.17Å; K62-Y65 HydrophobicContact CD-CD2 4Å; K62-Y65 HydrophobicContact CD-CE2 4.1Å; K62-Y65 HydrophobicContact CG-CD2 4.11Å; K62-Y65 PolarHBondContact O-N 2.82Å; K62-V66 PolarHBondContact O-N 2.97Å; K62-F435 PolarHBondContact N-O 3.08Å; K62-Q436 WeakPolarHBondContact CB-O 3.4Å
63E95.5Very high96.5Very high58 Ų5832 Ų3227%0.27118%0.177SC..Hα-helixtrans-50-44.8-174.7-176.7-79.6157.700113.5S52 A53 A56 Y61 Y65 V66 R67S52-E63 WeakPolarHBondContact CB-OE1 3.17Å; S52-E63 PolarHBondContact OG-OE1 2.67Å; A53-E63 HydrophobicContact CB-CG 3.94Å; A56-E63 HydrophobicContact CB-CB 3.98Å; A56-E63 HydrophobicContact CB-CG 4.42Å; Y61-E63 PolarHBondContact O-N 2.9Å; E63-Y65 VanDerWaalsContact C-N 3.27Å; E63-Y65 PolarHBondContact O-N 3.3Å; E63-V66 PolarHBondContact O-N 2.86Å; E63-V66 VanDerWaalsContact O-N 3.1Å; E63-R67 WeakPolarHBondContact O-CB 3.23Å; E63-R67 PolarHBondContact O-N 2.76Å; E63-R67 IonicContact OE1-NH1 3.81Å; E63-R67 IonicContact OE2-NH1 2.86Å
64R94.9Very high96.4Very high24 Ų2429.8 Ų29.89%0.09116%0.158CC..Hα-helixtrans-57.9-37.8-177.7177.264.5-167.286.8-7.2112.7K62 E68 M616 L620 G627 L628K62-R64 VanDerWaalsContact C-N 3.28Å; K62-R64 PolarHBondContact O-N 3.44Å; K62-R64 VanDerWaalsContact O-N 3.16Å; R64-E68 IonicContact CZ-OE2 2.66Å; R64-E68 IonicContact NH1-OE2 3.53Å; R64-E68 PolarHBondContact NH1-OE2 2.96Å; R64-E68 IonicContact NH2-OE2 2.77Å; R64-E68 PolarHBondContact NH2-OE2 2.85Å; R64-E68 PolarHBondContact O-N 3Å; R64-M616 HydrophobicContact CG-CG 4.44Å; R64-M616 HydrophobicContact CG-SD 3.63Å; R64-M616 PolarHBondContact NH1-SD 3.46Å; R64-L620 HydrophobicContact CG-CD1 3.99Å; R64-G627 PolarHBondContact NE-O 2.71Å; R64-G627 PolarHBondContact NH2-O 3.08Å; R64-L628 PolarHBondContact NH2-O 2.8Å
65Y95.7Very high96.4Very high0 Ų028.9 Ų28.90%015%0.15CC..Hα-helixtrans-73.9-41.4177-77.9-98.6000111.5K62 E63 R67 E68 W69 C434 F435 P440 L612 M616 P617 L620K62-Y65 HydrophobicContact CB-CD2 4.17Å; K62-Y65 HydrophobicContact CD-CD2 4Å; K62-Y65 HydrophobicContact CD-CE2 4.1Å; K62-Y65 HydrophobicContact CG-CD2 4.11Å; K62-Y65 PolarHBondContact O-N 2.82Å; E63-Y65 VanDerWaalsContact C-N 3.27Å; E63-Y65 PolarHBondContact O-N 3.3Å; Y65-R67 VanDerWaalsContact C-N 3.32Å; Y65-R67 PolarHBondContact O-N 2.75Å; Y65-E68 PolarHBondContact O-N 3.2Å; Y65-W69 WeakPolarHBondContact O-CB 3.37Å; Y65-W69 PolarHBondContact O-N 2.82Å; Y65-C434 HydrophobicContact CD1-CB 4.01Å; Y65-C434 VanDerWaalsContact CD2-O 3.27Å; Y65-C434 WeakPolarHBondContact CD2-O 3.23Å; Y65-C434 HydrophobicContact CE1-CB 3.28Å; Y65-C434 HydrophobicContact CE2-CB 4.2Å; Y65-C434 VanDerWaalsContact CE2-O 3.31Å; Y65-C434 WeakPolarHBondContact CE2-O 3.32Å; Y65-C434 VanDerWaalsContact CZ-CB 3.42Å; Y65-F435 HydrophobicContact CD1-CD2 4.05Å; Y65-F435 HydrophobicContact CD1-CE2 4.04Å; Y65-F435 HydrophobicContact CG-CD2 4.37Å; Y65-F435 HydrophobicContact CG-CG 4.49Å; Y65-P440 WeakPolarHBondContact OH-CD 3.07Å; Y65-L612 HydrophobicContact CD1-CD1 3.92Å; Y65-M616 HydrophobicContact CD1-CE 3.26Å; Y65-M616 HydrophobicContact CD2-CE 4.14Å; Y65-M616 HydrophobicContact CE1-CE 3.22Å; Y65-M616 HydrophobicContact CE2-CE 4.1Å; Y65-M616 HydrophobicContact CG-CE 3.72Å; Y65-P617 HydrophobicContact CE1-CG 4.15Å; Y65-L620 HydrophobicContact CD2-CD1 4.42Å; Y65-L620 HydrophobicContact CE2-CD1 3.58Å
66V97.3Very high96.2Very high0 Ų029.3 Ų29.30%015%0.154CC..Hα-helixtrans-61.7-40.7175.3176.20000111.1L38 V55 A56 K62 E63 W69 L70 F435L38-V66 HydrophobicContact CD2-CG2 4.23Å; V55-V66 HydrophobicContact CB-CG1 4.16Å; V55-V66 HydrophobicContact CG1-CG1 3.91Å; A56-V66 HydrophobicContact CB-CB 3.95Å; A56-V66 HydrophobicContact CB-CG1 4.2Å; A56-V66 HydrophobicContact CB-CG2 3.78Å; K62-V66 PolarHBondContact O-N 2.97Å; E63-V66 PolarHBondContact O-N 2.86Å; E63-V66 VanDerWaalsContact O-N 3.1Å; V66-W69 PolarHBondContact O-N 3.24Å; V66-L70 HydrophobicContact CG1-CD1 3.92Å; V66-L70 HydrophobicContact CG1-CG 4.43Å; V66-L70 WeakPolarHBondContact O-CB 3.43Å; V66-L70 VanDerWaalsContact O-CG 3.27Å; V66-L70 WeakPolarHBondContact O-CG 3.34Å; V66-L70 PolarHBondContact O-N 2.94Å; V66-F435 HydrophobicContact CG2-CD1 4.06Å; V66-F435 HydrophobicContact CG2-CE1 4.24Å
67R96.9Very high96Very high105 Ų10530.1 Ų30.140%0.39616%0.163SC..Hα-helixtrans-62.4-45.6176.1-171.5175.869.8-153.810.7112.4E63 Y65 W69 L70 G71E63-R67 WeakPolarHBondContact O-CB 3.23Å; E63-R67 PolarHBondContact O-N 2.76Å; E63-R67 IonicContact OE1-NH1 3.81Å; E63-R67 IonicContact OE2-NH1 2.86Å; Y65-R67 VanDerWaalsContact C-N 3.32Å; Y65-R67 PolarHBondContact O-N 2.75Å; R67-W69 VanDerWaalsContact C-N 3.33Å; R67-L70 PolarHBondContact O-N 2.85Å; R67-G71 PolarHBondContact O-N 3.48Å
68E97Very high95.9Very high9 Ų925.4 Ų25.44%0.04213%0.129CC..Hα-helixtrans-63.8-42.2177.7-15667.2-164.500111.4R64 Y65 G71 A72 Y608 S611 L612 M616R64-E68 IonicContact CZ-OE2 2.66Å; R64-E68 IonicContact NH1-OE2 3.53Å; R64-E68 PolarHBondContact NH1-OE2 2.96Å; R64-E68 IonicContact NH2-OE2 2.77Å; R64-E68 PolarHBondContact NH2-OE2 2.85Å; R64-E68 PolarHBondContact O-N 3Å; Y65-E68 PolarHBondContact O-N 3.2Å; E68-G71 PolarHBondContact O-N 3.14Å; E68-A72 PolarHBondContact O-N 2.78Å; E68-Y608 HydrophobicContact CG-CD1 4.47Å; E68-Y608 WeakPolarHBondContact OE1-CD1 3.36Å; E68-S611 WeakPolarHBondContact OE1-CB 3.46Å; E68-S611 PolarHBondContact OE1-OG 3.17Å; E68-L612 HydrophobicContact CB-CB 4.45Å; E68-L612 HydrophobicContact CB-CD1 4.17Å; E68-L612 HydrophobicContact CG-CB 4Å; E68-M616 HydrophobicContact CB-CE 4.49Å; E68-M616 HydrophobicContact CB-SD 4.42Å
69W97.8Very high95.9Very high0 Ų019.8 Ų19.80%011%0.108CC..Hα-helixtrans-61.9-43.2175.9175.881000112A29 L38 F39 L42 Y65 V66 R67 G71 A72 M73 F435 L612A29-W69 PolarHBondContact O-NE1 2.87Å; L38-W69 HydrophobicContact CB-CE3 4.16Å; L38-W69 HydrophobicContact CB-CH2 3.46Å; L38-W69 VanDerWaalsContact CB-CH2 3.46Å; L38-W69 HydrophobicContact CB-CZ2 3.89Å; L38-W69 HydrophobicContact CB-CZ3 3.61Å; L38-W69 HydrophobicContact CD1-CD2 3.54Å; L38-W69 HydrophobicContact CD1-CE3 3.58Å; L38-W69 HydrophobicContact CD1-CG 4.03Å; L38-W69 HydrophobicContact CD1-CH2 4.27Å; L38-W69 HydrophobicContact CD1-CZ2 4.23Å; L38-W69 HydrophobicContact CD1-CZ3 3.96Å; L38-W69 HydrophobicContact CG-CE3 4.44Å; L38-W69 HydrophobicContact CG-CZ3 4.35Å; F39-W69 AromaticContact CD1-CH2 3.89Å; F39-W69 HydrophobicContact CD1-CH2 3.89Å; F39-W69 HydrophobicContact CD1-CZ2 4.2Å; F39-W69 AromaticContact CE1-CH2 3.66Å; F39-W69 HydrophobicContact CE1-CH2 3.66Å; F39-W69 AromaticContact CE1-CZ2 3.6Å; F39-W69 HydrophobicContact CE1-CZ2 3.6Å; F39-W69 AromaticContact CE2-CZ2 3.99Å; F39-W69 HydrophobicContact CE2-CZ2 3.99Å; F39-W69 HydrophobicContact CG-CH2 4.44Å; F39-W69 HydrophobicContact CZ-CH2 4.02Å; F39-W69 AromaticContact CZ-CZ2 3.47Å; F39-W69 HydrophobicContact CZ-CZ2 3.47Å; F39-W69 VanDerWaalsContact CZ-CZ2 3.47Å; L42-W69 HydrophobicContact CD1-CH2 4.42Å; L42-W69 HydrophobicContact CD1-CZ3 4.43Å; Y65-W69 WeakPolarHBondContact O-CB 3.37Å; Y65-W69 PolarHBondContact O-N 2.82Å; V66-W69 PolarHBondContact O-N 3.24Å; R67-W69 VanDerWaalsContact C-N 3.33Å; W69-G71 VanDerWaalsContact C-N 3.29Å; W69-G71 PolarHBondContact O-N 2.52Å; W69-A72 WeakPolarHBondContact O-CB 3.41Å; W69-A72 PolarHBondContact O-N 2.78Å; W69-A72 VanDerWaalsContact O-N 3.17Å; W69-M73 HydrophobicContact CD2-CG 3.92Å; W69-M73 HydrophobicContact CE3-CG 4.27Å; W69-M73 HydrophobicContact CH2-CG 3.93Å; W69-M73 HydrophobicContact CZ2-CG 3.53Å; W69-M73 HydrophobicContact CZ2-SD 3.92Å; W69-M73 HydrophobicContact CZ3-CG 4.28Å; W69-M73 WeakPolarHBondContact O-CG 3.26Å; W69-M73 PolarHBondContact O-N 3.33Å; W69-F435 HydrophobicContact CB-CE1 4.2Å; W69-F435 HydrophobicContact CB-CZ 4.04Å; W69-L612 HydrophobicContact CB-CD2 4.03Å
70L97.8Very high95.9Very high0 Ų021.6 Ų21.60%011%0.114CC..Hα-helixtrans-60.5-39.2173.8-73.7164.2000111.7L42 V66 R67 A72 M73 V74 V79 Y88L42-L70 HydrophobicContact CD1-CD2 4.34Å; L42-L70 HydrophobicContact CD2-CD2 4.05Å; V66-L70 HydrophobicContact CG1-CD1 3.92Å; V66-L70 HydrophobicContact CG1-CG 4.43Å; V66-L70 WeakPolarHBondContact O-CB 3.43Å; V66-L70 VanDerWaalsContact O-CG 3.27Å; V66-L70 WeakPolarHBondContact O-CG 3.34Å; V66-L70 PolarHBondContact O-N 2.94Å; R67-L70 PolarHBondContact O-N 2.85Å; L70-A72 PolarHBondContact O-N 2.8Å; L70-M73 PolarHBondContact O-N 3Å; L70-V74 WeakPolarHBondContact O-CB 3.47Å; L70-V74 VanDerWaalsContact O-CG2 3.31Å; L70-V74 WeakPolarHBondContact O-CG2 3.32Å; L70-V74 PolarHBondContact O-N 2.83Å; L70-V79 HydrophobicContact CD2-CG1 4.18Å; L70-Y88 HydrophobicContact CB-CD1 3.97Å; L70-Y88 HydrophobicContact CB-CE1 3.83Å; L70-Y88 HydrophobicContact CB-CE2 4.43Å; L70-Y88 HydrophobicContact CB-CG 4.32Å; L70-Y88 HydrophobicContact CD1-CD1 4.45Å; L70-Y88 HydrophobicContact CD1-CD2 3.62Å; L70-Y88 HydrophobicContact CD1-CE2 3.81Å; L70-Y88 HydrophobicContact CD1-CG 3.97Å; L70-Y88 HydrophobicContact CD2-CD1 4.2Å; L70-Y88 HydrophobicContact CD2-CD2 4.48Å; L70-Y88 HydrophobicContact CD2-CG 3.98Å; L70-Y88 HydrophobicContact CG-CD1 4.42Å; L70-Y88 HydrophobicContact CG-CD2 4.43Å; L70-Y88 HydrophobicContact CG-CG 4.31Å
71G97.3Very high95.9Very high2 Ų220 Ų202%0.02110%0.096CC..Hα-helixtrans-56.7-47.8172.100000112.6R67 E68 W69 M73 V74 C75R67-G71 PolarHBondContact O-N 3.48Å; E68-G71 PolarHBondContact O-N 3.14Å; W69-G71 VanDerWaalsContact C-N 3.29Å; W69-G71 PolarHBondContact O-N 2.52Å; G71-M73 PolarHBondContact O-N 2.81Å; G71-V74 PolarHBondContact O-N 2.94Å; G71-C75 WeakPolarHBondContact O-CB 3.47Å; G71-C75 PolarHBondContact O-N 3.13Å; G71-C75 PolarHBondContact O-SG 2.77Å
72A97.1Very high95.9Very high0 Ų018.8 Ų18.80%09%0.093CC..Hα-helixtrans-61.6-41.8175.200000112.3A29 E68 W69 L70 C75 G76A29-A72 HydrophobicContact CB-CB 4.02Å; E68-A72 PolarHBondContact O-N 2.78Å; W69-A72 WeakPolarHBondContact O-CB 3.41Å; W69-A72 PolarHBondContact O-N 2.78Å; W69-A72 VanDerWaalsContact O-N 3.17Å; L70-A72 PolarHBondContact O-N 2.8Å; A72-C75 PolarHBondContact O-N 2.79Å; A72-G76 PolarHBondContact O-N 2.92Å
73M97.1Very high95.9Very high0 Ų021.1 Ų21.10%012%0.117CC..Hα-helixtrans-69-36.5179.9-66.5-5694.300113.1A29 L30 F39 W69 L70 G71 G77 I78 V79A29-M73 HydrophobicContact CB-CE 3.48Å; A29-M73 VanDerWaalsContact CB-CE 3.48Å; L30-M73 HydrophobicContact CD2-CE 4.41Å; L30-M73 HydrophobicContact CD2-SD 3.64Å; L30-M73 HydrophobicContact CG-CE 4.11Å; L30-M73 HydrophobicContact CG-SD 4.01Å; F39-M73 HydrophobicContact CE1-SD 4.17Å; F39-M73 HydrophobicContact CZ-SD 3.94Å; W69-M73 HydrophobicContact CD2-CG 3.92Å; W69-M73 HydrophobicContact CE3-CG 4.27Å; W69-M73 HydrophobicContact CH2-CG 3.93Å; W69-M73 HydrophobicContact CZ2-CG 3.53Å; W69-M73 HydrophobicContact CZ2-SD 3.92Å; W69-M73 HydrophobicContact CZ3-CG 4.28Å; W69-M73 WeakPolarHBondContact O-CG 3.26Å; W69-M73 PolarHBondContact O-N 3.33Å; L70-M73 PolarHBondContact O-N 3Å; G71-M73 PolarHBondContact O-N 2.81Å; M73-G77 PolarHBondContact O-N 3.19Å; M73-I78 HydrophobicContact CB-CB 4.39Å; M73-I78 WeakPolarHBondContact O-CB 3.25Å; M73-I78 PolarHBondContact O-N 2.81Å; M73-I78 HydrophobicContact SD-CB 4.32Å; M73-I78 HydrophobicContact SD-CG1 4.5Å; M73-I78 HydrophobicContact SD-CG2 4.24Å; M73-V79 HydrophobicContact CB-CB 3.82Å; M73-V79 HydrophobicContact CB-CG2 3.66Å; M73-V79 HydrophobicContact CG-CG2 4.28Å; M73-V79 PolarHBondContact O-N 3.25Å
74V97.1Very high95.6Very high6 Ų621.3 Ų21.34%0.03613%0.125CC..Hα-helixtrans-69.3-45.3174.5170.30000110.8L70 G71 G76 G77 V79 C81 Y88 L595 K599L70-V74 WeakPolarHBondContact O-CB 3.47Å; L70-V74 VanDerWaalsContact O-CG2 3.31Å; L70-V74 WeakPolarHBondContact O-CG2 3.32Å; L70-V74 PolarHBondContact O-N 2.83Å; G71-V74 PolarHBondContact O-N 2.94Å; V74-G76 VanDerWaalsContact C-N 3.26Å; V74-G76 PolarHBondContact O-N 2.79Å; V74-G77 WeakPolarHBondContact O-CA 3.38Å; V74-G77 PolarHBondContact O-N 3.44Å; V74-V79 WeakPolarHBondContact CA-O 3.45Å; V74-V79 HydrophobicContact CG2-CB 4.26Å; V74-V79 HydrophobicContact CG2-CG1 4.11Å; V74-C81 HydrophobicContact CG1-CB 4.35Å; V74-C81 HydrophobicContact CG2-CB 4.02Å; V74-Y88 HydrophobicContact CG2-CD1 3.85Å; V74-Y88 HydrophobicContact CG2-CE1 4.08Å; V74-L595 HydrophobicContact CB-CD1 4.28Å; V74-L595 HydrophobicContact CB-CD2 3.88Å; V74-L595 HydrophobicContact CB-CG 4.19Å; V74-L595 HydrophobicContact CG1-CD1 4.15Å; V74-L595 HydrophobicContact CG1-CD2 3.87Å; V74-L595 HydrophobicContact CG1-CG 3.78Å; V74-L595 HydrophobicContact CG2-CD2 3.94Å; V74-K599 HydrophobicContact CG1-CB 4.04Å; V74-K599 HydrophobicContact CG1-CD 3.87Å
75C95.5Very high95.5Very high18 Ų1820.6 Ų20.612%0.12213%0.125CC..Hα-helixtrans-69.4-24177.4-63.90000112.9G71 A72 G77 Y608G71-C75 WeakPolarHBondContact O-CB 3.47Å; G71-C75 PolarHBondContact O-N 3.13Å; G71-C75 PolarHBondContact O-SG 2.77Å; A72-C75 PolarHBondContact O-N 2.79Å; C75-G77 VanDerWaalsContact C-N 3.25Å; C75-Y608 HydrophobicContact CB-CD2 4.39Å; C75-Y608 VanDerWaalsContact SG-CD2 3.57Å; C75-Y608 VanDerWaalsContact SG-CE2 3.56Å
76G93.7Very high95.4Very high9 Ų924 Ų249%0.09315%0.146CC..THydrogen-bonded Turntrans-76.6-9.2167.600000113.9A72 V74 I78 K324A72-G76 PolarHBondContact O-N 2.92Å; V74-G76 VanDerWaalsContact C-N 3.26Å; V74-G76 PolarHBondContact O-N 2.79Å; G76-I78 VanDerWaalsContact C-N 3.34Å; G76-K324 VanDerWaalsContact O-CE 3.27Å; G76-K324 WeakPolarHBondContact O-CE 3.47Å; G76-K324 PolarHBondContact O-NZ 3.02Å
77G92.9Very high95.4Very high19 Ų1928.4 Ų28.420%0.19617%0.165CC..THydrogen-bonded Turntrans60.741.1-173.700000112.8M73 V74 C75 K324M73-G77 PolarHBondContact O-N 3.19Å; V74-G77 WeakPolarHBondContact O-CA 3.38Å; V74-G77 PolarHBondContact O-N 3.44Å; C75-G77 VanDerWaalsContact C-N 3.25Å; G77-K324 PolarHBondContact O-NZ 2.73Å
78I94.2Very high95.4Very high0 Ų024 Ų240%015%0.148CC..SBendtrans-100.2-48.9176.3-57.7-61.1000109.6L30 F39 M73 G76 L90 R94 L98 F321 L328L30-I78 HydrophobicContact CD1-CD1 4.25Å; L30-I78 HydrophobicContact CD1-CG1 4.37Å; L30-I78 HydrophobicContact CD2-CB 4.45Å; L30-I78 HydrophobicContact CD2-CD1 4.27Å; L30-I78 HydrophobicContact CD2-CG1 3.95Å; L30-I78 HydrophobicContact CD2-CG2 3.85Å; L30-I78 HydrophobicContact CG-CG1 4.47Å; F39-I78 HydrophobicContact CE1-CG2 3.98Å; F39-I78 HydrophobicContact CZ-CG2 4.48Å; M73-I78 HydrophobicContact CB-CB 4.39Å; M73-I78 WeakPolarHBondContact O-CB 3.25Å; M73-I78 PolarHBondContact O-N 2.81Å; M73-I78 HydrophobicContact SD-CB 4.32Å; M73-I78 HydrophobicContact SD-CG1 4.5Å; M73-I78 HydrophobicContact SD-CG2 4.24Å; G76-I78 VanDerWaalsContact C-N 3.34Å; I78-L90 WeakPolarHBondContact O-CD1 3.35Å; I78-R94 WeakPolarHBondContact O-CD 3.46Å; I78-R94 PolarHBondContact O-NH1 3.25Å; I78-L98 HydrophobicContact CG2-CD1 3.62Å; I78-F321 HydrophobicContact CD1-CE2 3.99Å; I78-F321 HydrophobicContact CD1-CZ 3.91Å; I78-F321 HydrophobicContact CG2-CZ 4.32Å; I78-L328 HydrophobicContact CD1-CD1 3.82Å
79V95.5Very high95.4Very high0 Ų024.9 Ų24.90%015%0.151CC..SBendtrans-106.1146.5177.3170.80000108.7F39 L42 L70 M73 V74 Y88 W89F39-V79 HydrophobicContact CE1-CG2 4.42Å; L42-V79 HydrophobicContact CD1-CG1 4.28Å; L42-V79 HydrophobicContact CD1-CG2 3.7Å; L70-V79 HydrophobicContact CD2-CG1 4.18Å; M73-V79 HydrophobicContact CB-CB 3.82Å; M73-V79 HydrophobicContact CB-CG2 3.66Å; M73-V79 HydrophobicContact CG-CG2 4.28Å; M73-V79 PolarHBondContact O-N 3.25Å; V74-V79 WeakPolarHBondContact CA-O 3.45Å; V74-V79 HydrophobicContact CG2-CB 4.26Å; V74-V79 HydrophobicContact CG2-CG1 4.11Å; V79-Y88 HydrophobicContact CG1-CD1 4.42Å; V79-W89 WeakPolarHBondContact CG1-O 3.42Å
80E95.4Very high95.2Very high54 Ų5424.9 Ų24.925%0.25215%0.151SC..EExtended strand (participates in β ladder)trans-96.5155.6174.3-62.5-58.1150.300110.7Y88 W89 P91 R94E80-Y88 VanDerWaalsContact O-CA 3.3Å; E80-Y88 WeakPolarHBondContact O-CA 3.36Å; E80-W89 HydrophobicContact CB-CD2 3.81Å; E80-W89 HydrophobicContact CB-CE3 4.33Å; E80-W89 HydrophobicContact CB-CG 4.36Å; E80-W89 HydrophobicContact CB-CH2 3.99Å; E80-W89 HydrophobicContact CB-CZ2 3.41Å; E80-W89 VanDerWaalsContact CB-CZ2 3.41Å; E80-W89 HydrophobicContact CB-CZ3 4.42Å; E80-W89 HydrophobicContact CG-CZ2 4.2Å; E80-W89 PolarHBondContact N-O 3.06Å; E80-W89 PolarHBondContact O-N 3Å; E80-W89 VanDerWaalsContact O-N 3.14Å; E80-P91 HydrophobicContact CG-CG 3.58Å; E80-R94 IonicContact OE1-CZ 3.31Å; E80-R94 IonicContact OE1-NH1 3.12Å; E80-R94 PolarHBondContact OE1-NH1 3.12Å; E80-R94 IonicContact OE1-NH2 2.75Å; E80-R94 PolarHBondContact OE1-NH2 3.47Å
81C96.2Very high94.9Very high7 Ų725.4 Ų25.45%0.04716%0.155CC..EExtended strand (participates in β ladder)trans-132.5154.7171.8680000111.7V74 K87 Y88 W89 L595V74-C81 HydrophobicContact CG1-CB 4.35Å; V74-C81 HydrophobicContact CG2-CB 4.02Å; C81-K87 CarbonylContact C-O 3.55Å; C81-K87 WeakPolarHBondContact CA-O 3.38Å; C81-Y88 HydrophobicContact CB-CD1 3.98Å; C81-Y88 HydrophobicContact CB-CE1 4.17Å; C81-W89 VanDerWaalsContact C-CH2 3.48Å; C81-W89 WeakPolarHBondContact O-CH2 3.35Å; C81-L595 HydrophobicContact CB-CD2 4.46Å
82D95.4Very high94.4Very high22 Ų2233.6 Ų33.612%0.11819%0.187CC..  trans-72173.617975.3-37000111.1S84 G85 T86 K87 W89 N596D82-S84 PolarHBondContact O-N 3.07Å; D82-S84 VanDerWaalsContact O-N 3.08Å; D82-S84 PolarHBondContact OD1-OG 3.07Å; D82-S84 VanDerWaalsContact OD1-OG 3.05Å; D82-S84 PolarHBondContact OD2-OG 3.16Å; D82-G85 PolarHBondContact O-N 3.26Å; D82-G85 PolarHBondContact OD1-N 2.81Å; D82-T86 PolarHBondContact OD1-N 2.89Å; D82-K87 HydrophobicContact CB-CB 4.21Å; D82-K87 PolarHBondContact N-O 3.42Å; D82-K87 PolarHBondContact OD1-N 2.58Å; D82-W89 HydrophobicContact CB-CZ3 4.13Å; D82-W89 VanDerWaalsContact N-CZ3 3.27Å; D82-N596 PolarHBondContact O-ND2 2.93Å
83S92.6Very high93.9Very high110 Ų11036 Ų3677%0.76920%0.196SC*.THydrogen-bonded Turntrans-60.9-20.8-179.962.50000114.1N596S83-N596 PolarHBondContact O-ND2 2.87Å
84S91Very high93.5Very high62 Ų6237.1 Ų37.143%0.43420%0.2SC..THydrogen-bonded Turntrans-86.7-14.417476.50000113.7D82 T86D82-S84 PolarHBondContact O-N 3.07Å; D82-S84 VanDerWaalsContact O-N 3.08Å; D82-S84 PolarHBondContact OD1-OG 3.07Å; D82-S84 VanDerWaalsContact OD1-OG 3.05Å; D82-S84 PolarHBondContact OD2-OG 3.16Å; S84-T86 VanDerWaalsContact C-N 3.27Å; S84-T86 PolarHBondContact O-N 3.2Å; S84-T86 PolarHBondContact OG-N 3.17Å; S84-T86 PolarHBondContact OG-OG1 2.76Å
85G92.4Very high93Very high9 Ų939 Ų399%0.09321%0.206CC..SBendtrans71.818.3-176.200000113.8D82 Y88 N596D82-G85 PolarHBondContact O-N 3.26Å; D82-G85 PolarHBondContact OD1-N 2.81Å; G85-Y88 PolarHBondContact O-OH 3.41Å; G85-Y88 VanDerWaalsContact O-OH 3.06Å; G85-N596 PolarHBondContact N-ND2 3.37Å
86T93.5Very high92.2Very high73 Ų7339.9 Ų39.945%0.44822%0.218SC..  trans-112.8-20.3-173.5690000114.1T51 D82 S84 Y88T51-T86 WeakPolarHBondContact CA-O 3.42Å; D82-T86 PolarHBondContact OD1-N 2.89Å; S84-T86 VanDerWaalsContact C-N 3.27Å; S84-T86 PolarHBondContact O-N 3.2Å; S84-T86 PolarHBondContact OG-N 3.17Å; S84-T86 PolarHBondContact OG-OG1 2.76Å; T86-Y88 WeakPolarHBondContact O-CE2 3.38Å
87K96.6Very high91.7Very high92 Ų9239.5 Ų39.540%0.421%0.214SC..EExtended strand (participates in β ladder)trans-112.7137.6174.4-68.6-176.6176.9-174.30110.4Q50 T51 C81 D82Q50-K87 CarbonylContact O-C 3.57Å; Q50-K87 WeakPolarHBondContact O-CA 3.49Å; T51-K87 HydrophobicContact CG2-CG 4.32Å; C81-K87 CarbonylContact C-O 3.55Å; C81-K87 WeakPolarHBondContact CA-O 3.38Å; D82-K87 HydrophobicContact CB-CB 4.21Å; D82-K87 PolarHBondContact N-O 3.42Å; D82-K87 PolarHBondContact OD1-N 2.58Å
88Y97.6Very high91.5Very high12 Ų1238.6 Ų38.65%0.04721%0.205CC..EExtended strand (participates in β ladder)trans-126.1144.4-172.2-50.3-89.7000111.1G49 Q50 L70 V74 V79 E80 C81 G85 T86 L595G49-Y88 WeakPolarHBondContact CA-O 3.3Å; Q50-Y88 PolarHBondContact N-O 2.85Å; Q50-Y88 WeakPolarHBondContact O-CD2 3.32Å; Q50-Y88 PolarHBondContact O-N 3.05Å; L70-Y88 HydrophobicContact CB-CD1 3.97Å; L70-Y88 HydrophobicContact CB-CE1 3.83Å; L70-Y88 HydrophobicContact CB-CE2 4.43Å; L70-Y88 HydrophobicContact CB-CG 4.32Å; L70-Y88 HydrophobicContact CD1-CD1 4.45Å; L70-Y88 HydrophobicContact CD1-CD2 3.62Å; L70-Y88 HydrophobicContact CD1-CE2 3.81Å; L70-Y88 HydrophobicContact CD1-CG 3.97Å; L70-Y88 HydrophobicContact CD2-CD1 4.2Å; L70-Y88 HydrophobicContact CD2-CD2 4.48Å; L70-Y88 HydrophobicContact CD2-CG 3.98Å; L70-Y88 HydrophobicContact CG-CD1 4.42Å; L70-Y88 HydrophobicContact CG-CD2 4.43Å; L70-Y88 HydrophobicContact CG-CG 4.31Å; V74-Y88 HydrophobicContact CG2-CD1 3.85Å; V74-Y88 HydrophobicContact CG2-CE1 4.08Å; V79-Y88 HydrophobicContact CG1-CD1 4.42Å; E80-Y88 VanDerWaalsContact O-CA 3.3Å; E80-Y88 WeakPolarHBondContact O-CA 3.36Å; C81-Y88 HydrophobicContact CB-CD1 3.98Å; C81-Y88 HydrophobicContact CB-CE1 4.17Å; G85-Y88 PolarHBondContact O-OH 3.41Å; G85-Y88 VanDerWaalsContact O-OH 3.06Å; T86-Y88 WeakPolarHBondContact O-CE2 3.38Å; Y88-L595 HydrophobicContact CE1-CD2 3.64Å
89W96.4Very high91Very high27 Ų2741.8 Ų41.810%0.10222%0.217CC..EExtended strand (participates in β ladder)trans-147.5158.1172.469.198.6000110.9E43 T45 E46 V79 E80 C81 D82E43-W89 WeakPolarHBondContact O-CA 3.33Å; E43-W89 WeakPolarHBondContact O-CB 3.27Å; T45-W89 WeakPolarHBondContact O-CB 3.46Å; E46-W89 HydrophobicContact CB-CD2 4.06Å; E46-W89 HydrophobicContact CB-CE3 4.08Å; E46-W89 HydrophobicContact CB-CH2 3.67Å; E46-W89 HydrophobicContact CB-CZ2 3.65Å; E46-W89 HydrophobicContact CB-CZ3 3.87Å; E46-W89 HydrophobicContact CG-CE3 4.24Å; E46-W89 HydrophobicContact CG-CH2 3.55Å; E46-W89 HydrophobicContact CG-CZ2 4.07Å; E46-W89 HydrophobicContact CG-CZ3 3.63Å; V79-W89 WeakPolarHBondContact CG1-O 3.42Å; E80-W89 HydrophobicContact CB-CD2 3.81Å; E80-W89 HydrophobicContact CB-CE3 4.33Å; E80-W89 HydrophobicContact CB-CG 4.36Å; E80-W89 HydrophobicContact CB-CH2 3.99Å; E80-W89 HydrophobicContact CB-CZ2 3.41Å; E80-W89 VanDerWaalsContact CB-CZ2 3.41Å; E80-W89 HydrophobicContact CB-CZ3 4.42Å; E80-W89 HydrophobicContact CG-CZ2 4.2Å; E80-W89 PolarHBondContact N-O 3.06Å; E80-W89 PolarHBondContact O-N 3Å; E80-W89 VanDerWaalsContact O-N 3.14Å; C81-W89 VanDerWaalsContact C-CH2 3.48Å; C81-W89 WeakPolarHBondContact O-CH2 3.35Å; D82-W89 HydrophobicContact CB-CZ3 4.13Å; D82-W89 VanDerWaalsContact N-CZ3 3.27Å
90L94.6Very high90Very high0 Ų042.8 Ų42.80%022%0.223CC..  trans-109.4103.517417961.9000108.5F39 L42 E43 S44 I78 Y92 R94 R95 L98F39-L90 HydrophobicContact CB-CD2 4.2Å; F39-L90 HydrophobicContact CD1-CD2 4.19Å; L42-L90 HydrophobicContact CB-CB 3.97Å; L42-L90 HydrophobicContact CD1-CB 4.23Å; E43-L90 PolarHBondContact O-N 3.02Å; S44-L90 WeakPolarHBondContact CA-O 3.41Å; I78-L90 WeakPolarHBondContact O-CD1 3.35Å; L90-Y92 PolarHBondContact O-N 3.06Å; L90-R94 HydrophobicContact CD1-CB 3.69Å; L90-R94 HydrophobicContact CG-CB 4.28Å; L90-R95 HydrophobicContact CD2-CG 3.88Å; L90-R95 HydrophobicContact CG-CG 3.96Å; L90-L98 HydrophobicContact CD1-CD1 3.95Å; L90-L98 HydrophobicContact CD2-CB 4.32Å
91P91.6Very high88.9Confident12 Ų1245 Ų458%0.07824%0.237CC..  trans-44.3138.2-179.4-30.233.3000113E80 W93 R94 R95E80-P91 HydrophobicContact CG-CG 3.58Å; P91-W93 HydrophobicContact CB-CD2 4.34Å; P91-W93 HydrophobicContact CB-CG 4.46Å; P91-W93 HydrophobicContact CB-CZ2 4.22Å; P91-W93 PolarHBondContact O-N 2.72Å; P91-W93 VanDerWaalsContact O-N 3.1Å; P91-R94 HydrophobicContact CB-CG 4.32Å; P91-R94 WeakPolarHBondContact O-CB 3.31Å; P91-R94 PolarHBondContact O-N 3.15Å; P91-R95 PolarHBondContact O-N 3.25Å
92Y86.7Confident87.7Confident174 Ų17445.5 Ų45.568%0.68224%0.24SC*.Hα-helixtrans-53.6-39.7-170.476.8-89.8000113.3L90 R94 R95L90-Y92 PolarHBondContact O-N 3.06Å; Y92-R94 PolarHBondContact O-N 2.91Å; Y92-R95 WeakPolarHBondContact O-CB 3.38Å; Y92-R95 PolarHBondContact O-N 2.94Å; Y92-R95 VanDerWaalsContact O-N 3.13Å
93W85Confident86.2Confident51 Ų5152.5 Ų52.519%0.19327%0.269CS..Hα-helixtrans-70.6-14.2-179.856.2-100.5000113.5P91 D317 F321P91-W93 HydrophobicContact CB-CD2 4.34Å; P91-W93 HydrophobicContact CB-CG 4.46Å; P91-W93 HydrophobicContact CB-CZ2 4.22Å; P91-W93 PolarHBondContact O-N 2.72Å; P91-W93 VanDerWaalsContact O-N 3.1Å; W93-D317 HydrophobicContact CD2-CB 3.88Å; W93-D317 HydrophobicContact CE3-CB 3.82Å; W93-D317 HydrophobicContact CG-CB 4.49Å; W93-D317 HydrophobicContact CH2-CB 3.95Å; W93-D317 HydrophobicContact CZ2-CB 4.06Å; W93-D317 HydrophobicContact CZ3-CB 3.83Å; W93-D317 VanDerWaalsContact CZ3-O 3.23Å; W93-D317 WeakPolarHBondContact CZ3-O 3.49Å; W93-F321 HydrophobicContact CE3-CB 4.38Å; W93-F321 HydrophobicContact CH2-CB 4.3Å; W93-F321 HydrophobicContact CH2-CD2 4.49Å; W93-F321 HydrophobicContact CZ3-CB 3.49Å; W93-F321 VanDerWaalsContact CZ3-CB 3.49Å; W93-F321 HydrophobicContact CZ3-CD1 4.45Å; W93-F321 HydrophobicContact CZ3-CD2 4.24Å; W93-F321 AromaticContact CZ3-CG 3.83Å; W93-F321 HydrophobicContact CZ3-CG 3.83Å
94R90.3Very high84.9Confident22 Ų2252.5 Ų52.58%0.08326%0.257CS..Hα-helixtrans-89.4-24170.4-61.5-177.1-177.4161.99.1112.8I78 E80 L90 P91 Y92 G96 L97 L98 F321I78-R94 WeakPolarHBondContact O-CD 3.46Å; I78-R94 PolarHBondContact O-NH1 3.25Å; E80-R94 IonicContact OE1-CZ 3.31Å; E80-R94 IonicContact OE1-NH1 3.12Å; E80-R94 PolarHBondContact OE1-NH1 3.12Å; E80-R94 IonicContact OE1-NH2 2.75Å; E80-R94 PolarHBondContact OE1-NH2 3.47Å; L90-R94 HydrophobicContact CD1-CB 3.69Å; L90-R94 HydrophobicContact CG-CB 4.28Å; P91-R94 HydrophobicContact CB-CG 4.32Å; P91-R94 WeakPolarHBondContact O-CB 3.31Å; P91-R94 PolarHBondContact O-N 3.15Å; Y92-R94 PolarHBondContact O-N 2.91Å; R94-G96 VanDerWaalsContact C-N 3.25Å; R94-G96 PolarHBondContact O-N 3.3Å; R94-L97 PolarHBondContact O-N 3.04Å; R94-L97 VanDerWaalsContact O-N 3.08Å; R94-L98 HydrophobicContact CB-CD1 4.47Å; R94-L98 PolarHBondContact O-N 3.01Å; R94-F321 HydrophobicContact CB-CD1 4.16Å; R94-F321 HydrophobicContact CB-CE1 3.78Å; R94-F321 HydrophobicContact CB-CZ 4.16Å; R94-F321 HydrophobicContact CG-CD1 3.78Å; R94-F321 HydrophobicContact CG-CD2 4.14Å; R94-F321 HydrophobicContact CG-CE1 3.71Å; R94-F321 HydrophobicContact CG-CE2 4.08Å; R94-F321 HydrophobicContact CG-CG 4Å; R94-F321 HydrophobicContact CG-CZ 3.87Å
95R85Confident83.9Confident47 Ų4750 Ų5018%0.17724%0.241CC..Hα-helixtrans-60.5-37.4-176.4-70.3-179.1159.5-171.4-11.6111.9L42 E43 S44 L90 P91 Y92 L97 L98 R99 T102L42-R95 PolarHBondContact O-NH2 3.47Å; E43-R95 IonicContact OE2-NH2 3.99Å; S44-R95 PolarHBondContact OG-NH1 3.27Å; L90-R95 HydrophobicContact CD2-CG 3.88Å; L90-R95 HydrophobicContact CG-CG 3.96Å; P91-R95 PolarHBondContact O-N 3.25Å; Y92-R95 WeakPolarHBondContact O-CB 3.38Å; Y92-R95 PolarHBondContact O-N 2.94Å; Y92-R95 VanDerWaalsContact O-N 3.13Å; R95-L97 PolarHBondContact O-N 3.13Å; R95-L98 PolarHBondContact O-N 2.81Å; R95-R99 HydrophobicContact CB-CG 4.25Å; R95-R99 PolarHBondContact O-N 2.88Å; R95-R99 VanDerWaalsContact O-N 3.17Å; R95-T102 PolarHBondContact O-OG1 2.93Å
96G79.3Confident83.2Confident36 Ų3649.9 Ų49.937%0.37124%0.238SC..Hα-helixtrans-61.5-4.1176.200000114.9R94 T102R94-G96 VanDerWaalsContact C-N 3.25Å; R94-G96 PolarHBondContact O-N 3.3Å; G96-T102 WeakPolarHBondContact O-CG2 3.36Å
97L83.3Confident82.7Confident0 Ų046.6 Ų46.60%022%0.218CC..Hα-helixtrans-118.2-21177.4-65.6168.2000113.5R94 R95 G105 I106 E318 F321 R322R94-L97 PolarHBondContact O-N 3.04Å; R94-L97 VanDerWaalsContact O-N 3.08Å; R95-L97 PolarHBondContact O-N 3.13Å; L97-G105 WeakPolarHBondContact O-CA 3.46Å; L97-I106 PolarHBondContact O-N 2.82Å; L97-E318 HydrophobicContact CD1-CG 3.92Å; L97-E318 HydrophobicContact CG-CG 4.42Å; L97-F321 HydrophobicContact CD1-CD1 3.72Å; L97-F321 HydrophobicContact CD1-CE1 4.38Å; L97-R322 HydrophobicContact CD1-CB 3.95Å; L97-R322 HydrophobicContact CD2-CB 4.38Å; L97-R322 HydrophobicContact CD2-CG 4.25Å
98L88.7Confident81.7Confident1 Ų142.3 Ų42.31%0.00520%0.2CC..Hα-helixtrans-123.2-10-163.7-60.8178.7000115.3F39 I78 L90 R94 R95 I106 L107 F321F39-L98 WeakPolarHBondContact CB-O 3.28Å; F39-L98 HydrophobicContact CD1-CB 4.42Å; F39-L98 WeakPolarHBondContact CD2-O 3.26Å; F39-L98 HydrophobicContact CG-CB 4.26Å; I78-L98 HydrophobicContact CG2-CD1 3.62Å; L90-L98 HydrophobicContact CD1-CD1 3.95Å; L90-L98 HydrophobicContact CD2-CB 4.32Å; R94-L98 HydrophobicContact CB-CD1 4.47Å; R94-L98 PolarHBondContact O-N 3.01Å; R95-L98 PolarHBondContact O-N 2.81Å; L98-I106 HydrophobicContact CD2-CG2 4.08Å; L98-L107 HydrophobicContact CB-CD1 4.25Å; L98-L107 HydrophobicContact CD2-CD1 4.3Å; L98-L107 HydrophobicContact CD2-CD2 3.72Å; L98-L107 HydrophobicContact CD2-CG 3.88Å; L98-L107 WeakPolarHBondContact O-CD1 3.39Å; L98-F321 HydrophobicContact CD1-CE1 3.7Å; L98-F321 HydrophobicContact CD1-CZ 3.73Å; L98-F321 HydrophobicContact CG-CE1 4.14Å
99R83.8Confident80.8Confident67 Ų6743.8 Ų43.825%0.25321%0.207SC..SBendtrans-77153.5174.1-70.517756.1110-1.1111.5D40 R95 D101 T102D40-R99 WeakPolarHBondContact OD1-CA 3.38Å; D40-R99 WeakPolarHBondContact OD1-CB 3.34Å; R95-R99 HydrophobicContact CB-CG 4.25Å; R95-R99 PolarHBondContact O-N 2.88Å; R95-R99 VanDerWaalsContact O-N 3.17Å; R99-D101 WeakPolarHBondContact CB-OD1 3.41Å; R99-D101 IonicContact CZ-OD1 3.17Å; R99-D101 IonicContact CZ-OD2 2.83Å; R99-D101 IonicContact NE-OD1 3.95Å; R99-D101 PolarHBondContact NE-OD1 2.81Å; R99-D101 VanDerWaalsContact NE-OD1 3.12Å; R99-D101 IonicContact NE-OD2 3.07Å; R99-D101 PolarHBondContact NE-OD2 3.2Å; R99-D101 IonicContact NH2-OD1 2.64Å; R99-D101 IonicContact NH2-OD2 3.72Å; R99-D101 PolarHBondContact NH2-OD2 2.94Å; R99-D101 PolarHBondContact O-N 2.83Å; R99-T102 WeakPolarHBondContact O-CB 3.37Å; R99-T102 PolarHBondContact O-N 2.65Å; R99-T102 PolarHBondContact O-OG1 3.42Å
100S74.8Confident80.1Confident20 Ų2042.5 Ų42.514%0.1420%0.202CC..THydrogen-bonded Turntrans-69.8-23.3-17777.80000113.3D40 R169D40-S100 PolarHBondContact OD1-N 3.17Å; D40-S100 VanDerWaalsContact OD2-CB 3.31Å; D40-S100 WeakPolarHBondContact OD2-CB 3.49Å; D40-S100 PolarHBondContact OD2-OG 2.97Å; S100-R169 PolarHBondContact O-NH1 2.74Å; S100-R169 PolarHBondContact O-NH2 2.77Å
101D72.6Confident79.5Confident100 Ų10043 Ų4354%0.53521%0.205SC..THydrogen-bonded Turntrans-83.8-6.6178.155.64000114.1R99 K103R99-D101 WeakPolarHBondContact CB-OD1 3.41Å; R99-D101 IonicContact CZ-OD1 3.17Å; R99-D101 IonicContact CZ-OD2 2.83Å; R99-D101 IonicContact NE-OD1 3.95Å; R99-D101 PolarHBondContact NE-OD1 2.81Å; R99-D101 VanDerWaalsContact NE-OD1 3.12Å; R99-D101 IonicContact NE-OD2 3.07Å; R99-D101 PolarHBondContact NE-OD2 3.2Å; R99-D101 IonicContact NH2-OD1 2.64Å; R99-D101 IonicContact NH2-OD2 3.72Å; R99-D101 PolarHBondContact NH2-OD2 2.94Å; R99-D101 PolarHBondContact O-N 2.83Å; D101-K103 PolarHBondContact O-N 3.01Å
102T71.1Confident78.9Confident19 Ų1943.6 Ų43.612%0.11721%0.207CC..  trans-71.4121.6-177.8-61.60000112.9R95 G96 R99 E104 G105 R169R95-T102 PolarHBondContact O-OG1 2.93Å; G96-T102 WeakPolarHBondContact O-CG2 3.36Å; R99-T102 WeakPolarHBondContact O-CB 3.37Å; R99-T102 PolarHBondContact O-N 2.65Å; R99-T102 PolarHBondContact O-OG1 3.42Å; T102-E104 PolarHBondContact O-N 3.01Å; T102-G105 PolarHBondContact O-N 2.78Å; T102-R169 PolarHBondContact O-NH1 3.08Å
103K63.5Low78.7Confident168 Ų16835.3 Ų35.373%0.7318%0.175SC*.THydrogen-bonded Turntrans-63.8-39177-66.8-175.6-179.2179.80113.6D101 R169D101-K103 PolarHBondContact O-N 3.01Å; K103-R169 WeakPolarHBondContact O-CB 3.37Å
104E64.6Low78.4Confident111 Ų11133.2 Ų33.252%0.51917%0.168SC..THydrogen-bonded Turntrans-102.229.5180-61-178.4-177.400113.1T102 R322T102-E104 PolarHBondContact O-N 3.01Å; E104-R322 PolarHBondContact O-NH1 2.99Å; E104-R322 IonicContact OE2-NH2 2.79Å
105G70.7Confident77.7Confident8 Ų833 Ų338%0.08217%0.169CC..  trans-65.8141.2-176.100000112.2L97 T102 P108L97-G105 WeakPolarHBondContact O-CA 3.46Å; T102-G105 PolarHBondContact O-N 2.78Å; G105-P108 WeakPolarHBondContact O-CD 3.38Å
106I77.6Confident77.3Confident8 Ų833.2 Ų33.24%0.04117%0.173CC..SBendtrans-86.1-18.1179.6-168156.4000113L97 L98 P108 M109 I110 C325 M326L97-I106 PolarHBondContact O-N 2.82Å; L98-I106 HydrophobicContact CD2-CG2 4.08Å; I106-P108 VanDerWaalsContact C-CD 3.5Å; I106-M109 WeakPolarHBondContact O-CB 3.3Å; I106-M109 PolarHBondContact O-N 2.74Å; I106-M109 VanDerWaalsContact O-N 3.11Å; I106-I110 HydrophobicContact CG1-CD1 4.27Å; I106-I110 HydrophobicContact CG1-CG1 4.42Å; I106-I110 HydrophobicContact CG2-CD1 4.16Å; I106-I110 PolarHBondContact O-N 3.29Å; I106-C325 HydrophobicContact CD1-CB 3.55Å; I106-C325 HydrophobicContact CG1-CB 4.3Å; I106-C325 HydrophobicContact CG2-CB 3.89Å; I106-M326 HydrophobicContact CD1-CB 4.28Å; I106-M326 HydrophobicContact CD1-CG 3.46Å; I106-M326 VanDerWaalsContact CD1-CG 3.46Å; I106-M326 HydrophobicContact CD1-SD 3.34Å; I106-M326 WeakPolarHBondContact CD1-SD 3.21Å; I106-M326 HydrophobicContact CG1-SD 4.05Å
107L82.1Confident77.3Confident3 Ų331.6 Ų31.62%0.01616%0.156CC..Hα-helixtrans-59.8-36.2-174.4-69.9179.3000115.4L30 Y34 F39 L98 M109 I110 N111L30-L107 HydrophobicContact CB-CD2 4.47Å; L30-L107 HydrophobicContact CD2-CD2 4.26Å; Y34-L107 HydrophobicContact CD1-CB 4.37Å; Y34-L107 HydrophobicContact CD2-CB 3.47Å; Y34-L107 VanDerWaalsContact CD2-CB 3.47Å; Y34-L107 HydrophobicContact CD2-CD1 3.62Å; Y34-L107 HydrophobicContact CD2-CG 4.19Å; Y34-L107 HydrophobicContact CE2-CB 4.07Å; Y34-L107 HydrophobicContact CG-CB 3.66Å; Y34-L107 HydrophobicContact CG-CD1 4.14Å; Y34-L107 HydrophobicContact CG-CG 4.47Å; F39-L107 HydrophobicContact CD2-CD1 3.68Å; F39-L107 HydrophobicContact CE2-CD1 3.72Å; F39-L107 HydrophobicContact CE2-CD2 4.16Å; L98-L107 HydrophobicContact CB-CD1 4.25Å; L98-L107 HydrophobicContact CD2-CD1 4.3Å; L98-L107 HydrophobicContact CD2-CD2 3.72Å; L98-L107 HydrophobicContact CD2-CG 3.88Å; L98-L107 WeakPolarHBondContact O-CD1 3.39Å; L107-M109 VanDerWaalsContact C-N 3.26Å; L107-M109 PolarHBondContact O-N 3.26Å; L107-I110 HydrophobicContact CD2-CD1 4.41Å; L107-I110 PolarHBondContact O-N 3.08Å; L107-I110 VanDerWaalsContact O-N 3.15Å; L107-N111 WeakPolarHBondContact O-CB 3.37Å; L107-N111 PolarHBondContact O-N 2.8Å
108P76.8Confident77.1Confident3 Ų334.1 Ų34.12%0.01917%0.172CC..Hα-helixtrans-58.2-38.4174-26.435.9000112.8Y34 G105 I106 N111 F166Y34-P108 HydrophobicContact CE1-CG 4.47Å; G105-P108 WeakPolarHBondContact O-CD 3.38Å; I106-P108 VanDerWaalsContact C-CD 3.5Å; P108-N111 PolarHBondContact O-N 3Å; P108-F166 HydrophobicContact CB-CB 3.83Å; P108-F166 HydrophobicContact CB-CD2 4.32Å
109M77.8Confident76.7Confident42 Ų4235 Ų3521%0.20718%0.177CC..Hα-helixtrans-65.4-44.3174.9-170.8-168.6-75.800111.2I106 L107 N111 M112 F166 M326 C329 Y333I106-M109 WeakPolarHBondContact O-CB 3.3Å; I106-M109 PolarHBondContact O-N 2.74Å; I106-M109 VanDerWaalsContact O-N 3.11Å; L107-M109 VanDerWaalsContact C-N 3.26Å; L107-M109 PolarHBondContact O-N 3.26Å; M109-N111 VanDerWaalsContact C-N 3.32Å; M109-N111 PolarHBondContact O-N 3.39Å; M109-M112 WeakPolarHBondContact O-CB 3.37Å; M109-M112 PolarHBondContact O-N 3.24Å; M109-F166 HydrophobicContact CB-CD2 3.88Å; M109-F166 HydrophobicContact CB-CE2 3.65Å; M109-F166 HydrophobicContact CB-CZ 4.38Å; M109-F166 HydrophobicContact CE-CE1 4.35Å; M109-F166 HydrophobicContact CE-CE2 3.45Å; M109-F166 VanDerWaalsContact CE-CE2 3.45Å; M109-F166 HydrophobicContact CE-CZ 3.25Å; M109-F166 HydrophobicContact CG-CE2 4.19Å; M109-F166 HydrophobicContact CG-CZ 4.45Å; M109-M326 HydrophobicContact CE-CE 3.79Å; M109-M326 HydrophobicContact CE-SD 3.89Å; M109-M326 HydrophobicContact SD-CE 3.73Å; M109-M326 HydrophobicContact SD-SD 3.68Å; M109-M326 VanDerWaalsContact SD-SD 3.68Å; M109-C329 HydrophobicContact SD-CB 4.47Å; M109-Y333 PolarHBondContact O-OH 2.99Å
110I82.1Confident76.6Confident0 Ų032 Ų320%017%0.166CC..Hα-helixtrans-65.5-38.5179.6-64.5175.9000110.6A27 L30 I106 L107 M112 I113 C325 C329A27-I110 HydrophobicContact CB-CG2 3.97Å; A27-I110 WeakPolarHBondContact O-CG2 3.49Å; L30-I110 HydrophobicContact CB-CG2 3.83Å; L30-I110 HydrophobicContact CD1-CD1 4.09Å; L30-I110 HydrophobicContact CD1-CG2 4.35Å; I106-I110 HydrophobicContact CG1-CD1 4.27Å; I106-I110 HydrophobicContact CG1-CG1 4.42Å; I106-I110 HydrophobicContact CG2-CD1 4.16Å; I106-I110 PolarHBondContact O-N 3.29Å; L107-I110 HydrophobicContact CD2-CD1 4.41Å; L107-I110 PolarHBondContact O-N 3.08Å; L107-I110 VanDerWaalsContact O-N 3.15Å; I110-M112 PolarHBondContact O-N 3.46Å; I110-M112 VanDerWaalsContact O-N 3.14Å; I110-I113 WeakPolarHBondContact O-CG2 3.4Å; I110-I113 PolarHBondContact O-N 3.04Å; I110-I113 VanDerWaalsContact O-N 3.14Å; I110-C325 HydrophobicContact CD1-CB 4.31Å; I110-C329 HydrophobicContact CG1-CB 3.96Å
111N83.2Confident76.9Confident12 Ų1235.4 Ų35.46%0.06418%0.18CC..Hα-helixtrans-59.3-27-178.7-177.166000113.7A31 Y34 R35 L107 P108 M109 I113 S114A31-N111 HydrophobicContact CB-CB 4.38Å; Y34-N111 HydrophobicContact CD1-CB 3.89Å; Y34-N111 HydrophobicContact CE1-CB 4.37Å; R35-N111 VanDerWaalsContact CD-OD1 3.31Å; R35-N111 WeakPolarHBondContact CD-OD1 3.37Å; R35-N111 WeakPolarHBondContact CG-OD1 3.41Å; L107-N111 WeakPolarHBondContact O-CB 3.37Å; L107-N111 PolarHBondContact O-N 2.8Å; P108-N111 PolarHBondContact O-N 3Å; M109-N111 VanDerWaalsContact C-N 3.32Å; M109-N111 PolarHBondContact O-N 3.39Å; N111-I113 PolarHBondContact O-N 2.91Å; N111-I113 VanDerWaalsContact O-N 3.13Å; N111-S114 WeakPolarHBondContact O-CB 3.39Å; N111-S114 PolarHBondContact O-N 3.48Å; N111-S114 PolarHBondContact O-OG 3.23Å; N111-S114 PolarHBondContact OD1-OG 2.97Å
112M77.9Confident77.3Confident23 Ų2333.8 Ų33.811%0.11317%0.168CC..Hα-helixtrans-56-27.9176.6-71.8-70.3-70.700113.1M109 I110 S114 V115 L116 L159 M163 Y333M109-M112 WeakPolarHBondContact O-CB 3.37Å; M109-M112 PolarHBondContact O-N 3.24Å; I110-M112 PolarHBondContact O-N 3.46Å; I110-M112 VanDerWaalsContact O-N 3.14Å; M112-S114 VanDerWaalsContact C-N 3.26Å; M112-S114 PolarHBondContact O-N 2.92Å; M112-V115 PolarHBondContact O-N 3.05Å; M112-L116 HydrophobicContact CE-CD1 4.35Å; M112-L116 HydrophobicContact CE-CG 4.48Å; M112-L116 WeakPolarHBondContact O-CB 3.45Å; M112-L116 WeakPolarHBondContact O-CG 3.47Å; M112-L116 PolarHBondContact O-N 3.45Å; M112-L159 HydrophobicContact CE-CD1 3.29Å; M112-L159 HydrophobicContact CE-CG 4.03Å; M112-L159 HydrophobicContact SD-CD1 3.77Å; M112-L159 HydrophobicContact SD-CG 4.5Å; M112-M163 HydrophobicContact CE-CG 3.39Å; M112-M163 HydrophobicContact CE-SD 3.88Å; M112-M163 HydrophobicContact SD-CG 3.52Å; M112-M163 VanDerWaalsContact SD-CG 3.52Å; M112-Y333 WeakPolarHBondContact CB-OH 3.49Å
113I81.8Confident77.9Confident1 Ų135.6 Ų35.61%0.00518%0.177CC..Hα-helixtrans-57.9-40.6174.6-165.169.1000112.1A27 I110 N111 V115 S117 A332 Y333 L336 I421A27-I113 HydrophobicContact CB-CG2 4.29Å; I110-I113 WeakPolarHBondContact O-CG2 3.4Å; I110-I113 PolarHBondContact O-N 3.04Å; I110-I113 VanDerWaalsContact O-N 3.14Å; N111-I113 PolarHBondContact O-N 2.91Å; N111-I113 VanDerWaalsContact O-N 3.13Å; I113-V115 PolarHBondContact O-N 2.93Å; I113-S117 WeakPolarHBondContact O-CB 2.99Å; I113-S117 PolarHBondContact O-N 3.47Å; I113-A332 HydrophobicContact CD1-CB 3.63Å; I113-A332 HydrophobicContact CG1-CB 4.01Å; I113-Y333 HydrophobicContact CD1-CD1 4.01Å; I113-Y333 HydrophobicContact CD1-CE1 4.15Å; I113-L336 HydrophobicContact CD1-CD1 3.32Å; I113-L336 HydrophobicContact CD1-CG 3.79Å; I113-L336 HydrophobicContact CG1-CD1 4.46Å; I113-I421 HydrophobicContact CG1-CD1 4.28Å
114S79.3Confident78.9Confident6 Ų628.5 Ų28.54%0.04215%0.146CC..Hα-helixtrans-70.3-16.3-178.975.30000112.7N111 M112 P118N111-S114 WeakPolarHBondContact O-CB 3.39Å; N111-S114 PolarHBondContact O-N 3.48Å; N111-S114 PolarHBondContact O-OG 3.23Å; N111-S114 PolarHBondContact OD1-OG 2.97Å; M112-S114 VanDerWaalsContact C-N 3.26Å; M112-S114 PolarHBondContact O-N 2.92Å; S114-P118 VanDerWaalsContact O-CD 3.23Å; S114-P118 WeakPolarHBondContact O-CD 3.42Å; S114-P118 WeakPolarHBondContact O-CG 3.43Å
115V75.5Confident79.8Confident19 Ų1929.5 Ų29.512%0.11515%0.151CC..Hα-helixtrans-101.9-35.7-179.7-165.70000112.7M112 I113 P118 D158 L159M112-V115 PolarHBondContact O-N 3.05Å; I113-V115 PolarHBondContact O-N 2.93Å; V115-P118 WeakPolarHBondContact O-CD 3.37Å; V115-D158 HydrophobicContact CG1-CB 4.31Å; V115-L159 HydrophobicContact CB-CB 4.5Å; V115-L159 HydrophobicContact CB-CD1 3.78Å; V115-L159 VanDerWaalsContact CG1-CA 3.49Å; V115-L159 HydrophobicContact CG1-CB 3.51Å; V115-L159 HydrophobicContact CG1-CD1 3.6Å; V115-L159 HydrophobicContact CG1-CG 4.18Å
116L77Confident80.4Confident51 Ų5130.3 Ų30.327%0.26716%0.155SC..Hα-helixtrans-78.1-41.4178.7-70.7174.7000112.7M112 L119 L159 Y333M112-L116 HydrophobicContact CE-CD1 4.35Å; M112-L116 HydrophobicContact CE-CG 4.48Å; M112-L116 WeakPolarHBondContact O-CB 3.45Å; M112-L116 WeakPolarHBondContact O-CG 3.47Å; M112-L116 PolarHBondContact O-N 3.45Å; L116-L119 WeakPolarHBondContact O-CB 3.27Å; L116-L119 PolarHBondContact O-N 3.24Å; L116-L159 HydrophobicContact CD2-CD1 3.64Å; L116-L159 HydrophobicContact CD2-CD2 4.23Å; L116-L159 HydrophobicContact CG-CD1 3.89Å; L116-Y333 HydrophobicContact CD1-CD1 4.38Å; L116-Y333 HydrophobicContact CD1-CE1 3.82Å
117S79.5Confident81Confident1 Ų130.2 Ų30.21%0.00716%0.155CC..G310 helixtrans-60.1-36.1-177.4-178.20000114I113 L119 T120 L336 I421 S425I113-S117 WeakPolarHBondContact O-CB 2.99Å; I113-S117 PolarHBondContact O-N 3.47Å; S117-L119 PolarHBondContact O-N 3.06Å; S117-L119 VanDerWaalsContact O-N 3.12Å; S117-T120 WeakPolarHBondContact O-CB 3.38Å; S117-T120 PolarHBondContact O-N 3.42Å; S117-T120 PolarHBondContact O-OG1 2.92Å; S117-L336 WeakPolarHBondContact OG-CD2 3.27Å; S117-I421 PolarHBondContact OG-O 3.47Å; S117-S425 WeakPolarHBondContact CB-OG 3.44Å; S117-S425 VanDerWaalsContact OG-CB 3.31Å; S117-S425 WeakPolarHBondContact OG-CB 3.36Å; S117-S425 PolarHBondContact OG-OG 3.44Å
118P79.5Confident81Confident53 Ų5334.3 Ų34.334%0.34417%0.174SC..G310 helixtrans-59.6-18.3170.2-24.533.7000115.7S114 V115 S425 P426S114-P118 VanDerWaalsContact O-CD 3.23Å; S114-P118 WeakPolarHBondContact O-CD 3.42Å; S114-P118 WeakPolarHBondContact O-CG 3.43Å; V115-P118 WeakPolarHBondContact O-CD 3.37Å; P118-S425 WeakPolarHBondContact CD-OG 3.4Å; P118-P426 HydrophobicContact CB-CB 4.39Å; P118-P426 HydrophobicContact CB-CG 4.48Å
119L79.9Confident80.7Confident19 Ų1938.7 Ų38.710%0.09920%0.204CC..G310 helixtrans-89.10.1-179.7-58.6171000113.3L116 S117 E121 K122 I123 Y156L116-L119 WeakPolarHBondContact O-CB 3.27Å; L116-L119 PolarHBondContact O-N 3.24Å; S117-L119 PolarHBondContact O-N 3.06Å; S117-L119 VanDerWaalsContact O-N 3.12Å; L119-E121 VanDerWaalsContact C-N 3.31Å; L119-E121 PolarHBondContact O-N 3.04Å; L119-K122 HydrophobicContact CD2-CD 4.18Å; L119-K122 PolarHBondContact O-N 2.96Å; L119-I123 HydrophobicContact CB-CD1 4.23Å; L119-I123 HydrophobicContact CB-CG1 4.49Å; L119-I123 WeakPolarHBondContact O-CG1 3.41Å; L119-I123 PolarHBondContact O-N 2.73Å; L119-Y156 HydrophobicContact CD1-CD1 3.91Å; L119-Y156 HydrophobicContact CD1-CE1 3.35Å; L119-Y156 HydrophobicContact CD2-CE1 4.03Å; L119-Y156 HydrophobicContact CG-CE1 4.34Å
120T82.5Confident80.4Confident5 Ų539.3 Ų39.33%0.03121%0.209CC..Hα-helixtrans-50.8-45.3-176.5-64.10000113.1S117 K122 I123 L124 L340 T422S117-T120 WeakPolarHBondContact O-CB 3.38Å; S117-T120 PolarHBondContact O-N 3.42Å; S117-T120 PolarHBondContact O-OG1 2.92Å; T120-K122 PolarHBondContact O-N 3.35Å; T120-I123 PolarHBondContact O-N 3.48Å; T120-L124 HydrophobicContact CG2-CD1 4.11Å; T120-L124 HydrophobicContact CG2-CG 4.47Å; T120-L124 WeakPolarHBondContact O-CG 3.42Å; T120-L124 PolarHBondContact O-N 2.9Å; T120-L340 HydrophobicContact CG2-CD2 3.76Å; T120-T422 HydrophobicContact CG2-CG2 3.93Å
121E80.9Confident79.8Confident92 Ų9239.4 Ų39.443%0.4321%0.209SC..Hα-helixtrans-60.6-44.6178.8-61.5-49.8132.400112.4L119 I123 L124 E125 R343L119-E121 VanDerWaalsContact C-N 3.31Å; L119-E121 PolarHBondContact O-N 3.04Å; E121-I123 VanDerWaalsContact C-N 3.32Å; E121-I123 PolarHBondContact O-N 3.05Å; E121-L124 WeakPolarHBondContact O-CB 3.43Å; E121-L124 PolarHBondContact O-N 3.25Å; E121-E125 PolarHBondContact O-N 3.36Å; E121-E125 VanDerWaalsContact O-N 3.14Å; E121-R343 IonicContact OE1-CZ 3.93Å; E121-R343 IonicContact OE1-NH1 3.15Å; E121-R343 PolarHBondContact OE1-NH1 2.93Å; E121-R343 IonicContact OE1-NH2 3.12Å; E121-R343 PolarHBondContact OE1-NH2 3.48Å; E121-R343 IonicContact OE2-CZ 3.59Å; E121-R343 IonicContact OE2-NH1 3.21Å; E121-R343 IonicContact OE2-NH2 2.87Å; E121-R343 PolarHBondContact OE2-NH2 3.46Å
122K79.2Confident78.8Confident66 Ų6642.6 Ų42.629%0.28723%0.231SC..Hα-helixtrans-65.3-38.2177.8-66.7178.7179.9171.70111.2L119 T120 E125 C126 E155L119-K122 HydrophobicContact CD2-CD 4.18Å; L119-K122 PolarHBondContact O-N 2.96Å; T120-K122 PolarHBondContact O-N 3.35Å; K122-E125 PolarHBondContact O-N 3.36Å; K122-C126 PolarHBondContact O-N 2.8Å; K122-C126 PolarHBondContact O-SG 3.22Å; K122-E155 IonicContact NZ-OE1 2.61Å; K122-E155 PolarHBondContact NZ-OE1 3.17Å; K122-E155 IonicContact NZ-OE2 2.64Å; K122-E155 PolarHBondContact NZ-OE2 3.27Å
123I83.6Confident77.8Confident57 Ų5745.8 Ų45.829%0.29224%0.244SC..Hα-helixtrans-63.9-43.9176.2-66167.2000110.2L119 T120 E121 E125 C126 F127 L340L119-I123 HydrophobicContact CB-CD1 4.23Å; L119-I123 HydrophobicContact CB-CG1 4.49Å; L119-I123 WeakPolarHBondContact O-CG1 3.41Å; L119-I123 PolarHBondContact O-N 2.73Å; T120-I123 PolarHBondContact O-N 3.48Å; E121-I123 VanDerWaalsContact C-N 3.32Å; E121-I123 PolarHBondContact O-N 3.05Å; I123-E125 VanDerWaalsContact C-N 3.3Å; I123-E125 PolarHBondContact O-N 3.23Å; I123-C126 WeakPolarHBondContact O-CA 3.37Å; I123-C126 VanDerWaalsContact O-CB 3.31Å; I123-C126 WeakPolarHBondContact O-CB 3.45Å; I123-C126 PolarHBondContact O-N 3.1Å; I123-F127 HydrophobicContact CG2-CD2 4.38Å; I123-F127 HydrophobicContact CG2-CE2 3.94Å; I123-F127 WeakPolarHBondContact O-CD2 3.48Å; I123-F127 PolarHBondContact O-N 2.8Å; I123-L340 HydrophobicContact CB-CD2 4.45Å; I123-L340 HydrophobicContact CG2-CD1 3.86Å; I123-L340 HydrophobicContact CG2-CD2 4.05Å
124L84.9Confident76.3Confident18 Ų1847.1 Ų47.19%0.09426%0.258CS..Hα-helixtrans-59.2-39.1176.7-70.8167.8000112.6T120 E121 C126 F127 L340 R343 L344T120-L124 HydrophobicContact CG2-CD1 4.11Å; T120-L124 HydrophobicContact CG2-CG 4.47Å; T120-L124 WeakPolarHBondContact O-CG 3.42Å; T120-L124 PolarHBondContact O-N 2.9Å; E121-L124 WeakPolarHBondContact O-CB 3.43Å; E121-L124 PolarHBondContact O-N 3.25Å; L124-C126 VanDerWaalsContact C-N 3.26Å; L124-C126 PolarHBondContact O-N 3.23Å; L124-F127 PolarHBondContact O-N 3.16Å; L124-L340 HydrophobicContact CD1-CD2 4.49Å; L124-L340 HydrophobicContact CD2-CD2 3.57Å; L124-L340 HydrophobicContact CG-CD2 3.68Å; L124-R343 HydrophobicContact CD1-CB 4.38Å; L124-R343 HydrophobicContact CD2-CB 4.15Å; L124-L344 HydrophobicContact CD2-CD1 3.91Å; L124-L344 HydrophobicContact CD2-CD2 3.59Å; L124-L344 HydrophobicContact CD2-CG 3.45Å; L124-L344 VanDerWaalsContact CD2-CG 3.45Å
125E83.6Confident74.5Confident132 Ų13256.6 Ų56.662%0.61730%0.298SS*.Hα-helixtrans-62.6-34.1173.1-68.8177.2-17900112E121 K122 I123 F127 Q128E121-E125 PolarHBondContact O-N 3.36Å; E121-E125 VanDerWaalsContact O-N 3.14Å; K122-E125 PolarHBondContact O-N 3.36Å; I123-E125 VanDerWaalsContact C-N 3.3Å; I123-E125 PolarHBondContact O-N 3.23Å; E125-F127 VanDerWaalsContact C-N 3.27Å; E125-F127 PolarHBondContact O-N 3.36Å; E125-Q128 VanDerWaalsContact O-CB 3.26Å; E125-Q128 WeakPolarHBondContact O-CB 3.22Å; E125-Q128 WeakPolarHBondContact O-CG 3.35Å; E125-Q128 PolarHBondContact O-N 2.95Å
126C84.1Confident72.8Confident25 Ų2564.2 Ų64.217%0.16933%0.325CS..Hα-helixtrans-71.1-18.3179-63.30000114K122 I123 L124 Q128 G131 Y373K122-C126 PolarHBondContact O-N 2.8Å; K122-C126 PolarHBondContact O-SG 3.22Å; I123-C126 WeakPolarHBondContact O-CA 3.37Å; I123-C126 VanDerWaalsContact O-CB 3.31Å; I123-C126 WeakPolarHBondContact O-CB 3.45Å; I123-C126 PolarHBondContact O-N 3.1Å; L124-C126 VanDerWaalsContact C-N 3.26Å; L124-C126 PolarHBondContact O-N 3.23Å; C126-Q128 PolarHBondContact O-N 3.25Å; C126-G131 WeakPolarHBondContact O-CA 3.32Å; C126-Y373 HydrophobicContact CB-CD1 4.2Å; C126-Y373 HydrophobicContact CB-CE1 3.45Å; C126-Y373 VanDerWaalsContact CB-CE1 3.45Å; C126-Y373 HydrophobicContact CB-CE2 4.32Å; C126-Y373 WeakPolarHBondContact O-CD2 3.27Å; C126-Y373 VanDerWaalsContact O-CE2 3.32Å; C126-Y373 WeakPolarHBondContact O-CE2 3.49Å
127F88.8Confident70.7Confident7 Ų771.2 Ų71.23%0.03135%0.353CS..THydrogen-bonded Turntrans-72.5-18.2172.7-85.4-106.5000112.6I123 L124 E125 L344 L346 Y369 K370 Y373 V374 W377I123-F127 HydrophobicContact CG2-CD2 4.38Å; I123-F127 HydrophobicContact CG2-CE2 3.94Å; I123-F127 WeakPolarHBondContact O-CD2 3.48Å; I123-F127 PolarHBondContact O-N 2.8Å; L124-F127 PolarHBondContact O-N 3.16Å; E125-F127 VanDerWaalsContact C-N 3.27Å; E125-F127 PolarHBondContact O-N 3.36Å; F127-L344 HydrophobicContact CB-CD1 4.06Å; F127-L344 HydrophobicContact CB-CD2 4.01Å; F127-L344 HydrophobicContact CD1-CD1 3.4Å; F127-L344 HydrophobicContact CD2-CD1 3.77Å; F127-L344 HydrophobicContact CE1-CD1 3.63Å; F127-L344 HydrophobicContact CE2-CD1 4Å; F127-L344 HydrophobicContact CG-CD1 3.46Å; F127-L344 VanDerWaalsContact CG-CD1 3.46Å; F127-L344 HydrophobicContact CG-CD2 4.33Å; F127-L344 HydrophobicContact CZ-CD1 3.93Å; F127-L346 HydrophobicContact CD1-CD1 4.39Å; F127-L346 HydrophobicContact CE1-CD1 3.97Å; F127-Y369 HydrophobicContact CB-CD1 4Å; F127-Y369 HydrophobicContact CB-CG 4.3Å; F127-Y369 CarbonylContact O-C 3.55Å; F127-Y369 WeakPolarHBondContact O-CA 3.44Å; F127-Y369 VanDerWaalsContact O-CB 3.23Å; F127-Y369 WeakPolarHBondContact O-CB 3.41Å; F127-Y369 VanDerWaalsContact O-CD1 3.31Å; F127-Y369 WeakPolarHBondContact O-CD1 3.43Å; F127-K370 PolarHBondContact O-N 3.45Å; F127-Y373 HydrophobicContact CD2-CD1 4.02Å; F127-Y373 HydrophobicContact CD2-CG 4.32Å; F127-Y373 AromaticContact CE2-CD1 3.97Å; F127-Y373 HydrophobicContact CE2-CD1 3.97Å; F127-Y373 HydrophobicContact CE2-CG 4.44Å; F127-Y373 HydrophobicContact CG-CG 4.46Å; F127-V374 HydrophobicContact CD1-CG2 4.2Å; F127-V374 HydrophobicContact CE1-CG2 4.35Å; F127-W377 HydrophobicContact CE1-CB 4.09Å; F127-W377 HydrophobicContact CZ-CB 3.96Å
128Q83.5Confident68.5Low88 Ų8877.8 Ų77.841%0.41139%0.388SS..BIsolated β-bridgetrans-57.1154.5176.7-59.3-61.4-38.600110.8E125 C126 D130 G131 K370E125-Q128 VanDerWaalsContact O-CB 3.26Å; E125-Q128 WeakPolarHBondContact O-CB 3.22Å; E125-Q128 WeakPolarHBondContact O-CG 3.35Å; E125-Q128 PolarHBondContact O-N 2.95Å; C126-Q128 PolarHBondContact O-N 3.25Å; Q128-D130 VanDerWaalsContact CB-OD1 3.24Å; Q128-D130 WeakPolarHBondContact CB-OD1 3.18Å; Q128-D130 PolarHBondContact O-N 2.8Å; Q128-D130 VanDerWaalsContact O-N 3.15Å; Q128-G131 WeakPolarHBondContact O-CA 3.41Å; Q128-G131 PolarHBondContact O-N 3.33Å; Q128-K370 WeakPolarHBondContact O-CB 3.43Å
129S69.5Low66.2Low95 Ų9579.5 Ų79.566%0.66439%0.394SS*.THydrogen-bonded Turntrans-60.9-26.9-171.454.30000114.2G131S129-G131 VanDerWaalsContact C-N 3.3Å
130D72Confident63.8Low56 Ų5684.6 Ų84.630%0.29942%0.417SS..THydrogen-bonded Turntrans-77-14.8171.749.910.3000113.4Q128 G134 K135Q128-D130 VanDerWaalsContact CB-OD1 3.24Å; Q128-D130 WeakPolarHBondContact CB-OD1 3.18Å; Q128-D130 PolarHBondContact O-N 2.8Å; Q128-D130 VanDerWaalsContact O-N 3.15Å; D130-G134 VanDerWaalsContact CG-C 3.43Å; D130-G134 WeakPolarHBondContact OD2-CA 3.34Å; D130-K135 PolarHBondContact OD2-N 3.14Å
131G68.6Low61.1Low1 Ų189.5 Ų89.51%0.0145%0.447CS..G310 helixtrans68.9-151.2179.700000112.6C126 Q128 S129 K133 G134C126-G131 WeakPolarHBondContact O-CA 3.32Å; Q128-G131 WeakPolarHBondContact O-CA 3.41Å; Q128-G131 PolarHBondContact O-N 3.33Å; S129-G131 VanDerWaalsContact C-N 3.3Å; G131-K133 PolarHBondContact O-N 3.34Å; G131-G134 PolarHBondContact O-N 2.88Å
132P62.9Low58.4Low79 Ų7989.8 Ų89.851%0.51345%0.452SS..G310 helixtrans-64.5-8-176.326.2-34000114Y373P132-Y373 WeakPolarHBondContact CD-OH 3.28Å
133K57.4Low56.2Low91 Ų9192.3 Ų92.340%0.39647%0.467SS..G310 helixtrans-80-21.4175.9-57.3177.1-165.5-153.80112G131 R136 H140G131-K133 PolarHBondContact O-N 3.34Å; K133-R136 PolarHBondContact O-N 3.25Å; K133-H140 WeakPolarHBondContact CD-CD2 3.31Å; K133-H140 WeakPolarHBondContact CD-NE2 3.36Å; K133-H140 WeakPolarHBondContact CE-CD2 3.23Å; K133-H140 VanDerWaalsContact CE-CE1 3.44Å; K133-H140 WeakPolarHBondContact CE-CE1 3.44Å; K133-H140 WeakPolarHBondContact CE-NE2 3.37Å; K133-H140 PolarHBondContact NZ-CD2 2.64Å; K133-H140 PolarHBondContact NZ-CE1 2.92Å; K133-H140 PolarHBondContact NZ-ND1 3Å; K133-H140 PolarHBondContact NZ-NE2 2.79Å
134G49.7Very low53.6Low29 Ų2998 Ų9830%0.29949%0.493SS..THydrogen-bonded Turntrans49.9-164.3-177.900000113.9D130 G131 R136D130-G134 VanDerWaalsContact CG-C 3.43Å; D130-G134 WeakPolarHBondContact OD2-CA 3.34Å; G131-G134 PolarHBondContact O-N 2.88Å; G134-R136 PolarHBondContact O-N 3.46Å
135K42.2Very low50.9Low204 Ų204101.8 Ų101.889%0.88751%0.513SS*.THydrogen-bonded Turntrans-61.61.2169.7-72.2-176.5178.7177.40114D130 K137D130-K135 PolarHBondContact OD2-N 3.14Å; K135-K137 PolarHBondContact O-N 3.05Å
136R39.2Very low48.6Very low179 Ų17999.9 Ų99.968%0.67551%0.51SS*.  trans-87.982.6177.9-64.3-170.6-173.2-162.54.6109.8K133 G134 N138K133-R136 PolarHBondContact O-N 3.25Å; G134-R136 PolarHBondContact O-N 3.46Å; R136-N138 PolarHBondContact O-N 3.39Å
137K33.9Very low46Very low199 Ų199108.2 Ų108.287%0.86555%0.546SS*.THydrogen-bonded Turntrans-55.2-5.2179-83.5-175.3174.7-179.40116.7K135K135-K137 PolarHBondContact O-N 3.05Å
138N33Very low43.1Very low139 Ų139112.7 Ų112.774%0.74358%0.578SS**THydrogen-bonded Turntrans-110.89.6-165.3-69.4-5.2000116.6R136 H140R136-N138 PolarHBondContact O-N 3.39Å; N138-H140 PolarHBondContact O-N 2.83Å
139L31.6Very low40.4Very low88 Ų88110 Ų11046%0.46157%0.571SS.*THydrogen-bonded Turntrans-83.2-0.9-177.4-101.1142.7000115.5A149L139-A149 HydrophobicContact CD2-CB 3.79Å; L139-A149 HydrophobicContact CG-CB 4.39Å
140H28.7Very low38.5Very low127 Ų127108.6 Ų108.659%0.58857%0.572SS**THydrogen-bonded Turntrans-103.50.9-173-84.1-73.5000116.9K133 N138K133-H140 WeakPolarHBondContact CD-CD2 3.31Å; K133-H140 WeakPolarHBondContact CD-NE2 3.36Å; K133-H140 WeakPolarHBondContact CE-CD2 3.23Å; K133-H140 VanDerWaalsContact CE-CE1 3.44Å; K133-H140 WeakPolarHBondContact CE-CE1 3.44Å; K133-H140 WeakPolarHBondContact CE-NE2 3.37Å; K133-H140 PolarHBondContact NZ-CD2 2.64Å; K133-H140 PolarHBondContact NZ-CE1 2.92Å; K133-H140 PolarHBondContact NZ-ND1 3Å; K133-H140 PolarHBondContact NZ-NE2 2.79Å; N138-H140 PolarHBondContact O-N 2.83Å
141T26.1Very low36.5Very low107 Ų107110.6 Ų110.666%0.65659%0.587SS**SBendtrans-114.7112.2175.446.90000107.7
142N24.8Very low34.8Very low98 Ų98114.3 Ų114.352%0.52461%0.609SS.*  trans97.882.5177.2-51.1-23000115.5E144 N145N142-E144 PolarHBondContact O-N 3.26Å; N142-E144 VanDerWaalsContact O-N 3.08Å; N142-N145 HydrophobicContact CB-CB 3.84Å; N142-N145 PolarHBondContact ND2-ND2 3.46Å; N142-N145 PolarHBondContact O-N 2.74Å; N142-N145 VanDerWaalsContact O-N 3.11Å
143I32.6Very low33.8Very low120 Ų120113.6 Ų113.662%0.61560%0.597SS**THydrogen-bonded Turntrans-55.2-13.9155-71.9170.9000111.2
144E28.9Very low33Very low177 Ų177112.6 Ų112.683%0.82760%0.601SS**THydrogen-bonded Turntrans-92.20.6176.6-66.3177.4166.100115N142N142-E144 PolarHBondContact O-N 3.26Å; N142-E144 VanDerWaalsContact O-N 3.08Å
145N28.4Very low32.6Very low96 Ų96115.7 Ų115.751%0.51361%0.608SS.*  trans-128.926.2-178.1-81-49.9000114.9N142 E147 S148N142-N145 HydrophobicContact CB-CB 3.84Å; N142-N145 PolarHBondContact ND2-ND2 3.46Å; N142-N145 PolarHBondContact O-N 2.74Å; N142-N145 VanDerWaalsContact O-N 3.11Å; N145-E147 PolarHBondContact O-N 3.47Å; N145-S148 PolarHBondContact O-N 3.13Å; N145-S148 PolarHBondContact O-OG 2.82Å
146V34Very low32.9Very low92 Ų92109.5 Ų109.556%0.55858%0.579SS**G310 helixtrans-59.4-17.3-176.9178.40000113.5S148V146-S148 PolarHBondContact O-N 3.21Å
147E29.4Very low33.5Very low200 Ų200105.6 Ų105.694%0.93557%0.567SS**G310 helixtrans-68.5-15.1177-66.5-174.6157.400114.6N145N145-E147 PolarHBondContact O-N 3.47Å
148S28.3Very low34.4Very low101 Ų101100.5 Ų100.571%0.70655%0.549SS*.G310 helixtrans-102.5-9.6-172.464.50000115.4N145 V146 G150N145-S148 PolarHBondContact O-N 3.13Å; N145-S148 PolarHBondContact O-OG 2.82Å; V146-S148 PolarHBondContact O-N 3.21Å; S148-G150 PolarHBondContact O-N 3.27Å
149A28Very low35.3Very low32 Ų3294.6 Ų94.626%0.26452%0.518SS..SBendtrans-94.497177.700000109.2L139 T151L139-A149 HydrophobicContact CD2-CB 3.79Å; L139-A149 HydrophobicContact CG-CB 4.39Å; A149-T151 PolarHBondContact O-N 2.96Å
150G27.9Very low36.3Very low66 Ų6693.6 Ų93.668%0.6851%0.508SS*.SBendtrans-60.740.6-170.400000119.1S148S148-G150 PolarHBondContact O-N 3.27Å
151T31.7Very low37.5Very low98 Ų9890.1 Ų90.160%0.60150%0.501SS*.  trans-99.888.3151.143.60000106.8A149A149-T151 PolarHBondContact O-N 2.96Å
152T33.2Very low38.8Very low79 Ų7985.4 Ų85.449%0.48547%0.474SS..  trans-72.4130.6-177.746.40000109.6S154 E155T152-S154 WeakPolarHBondContact CB-OG 3.32Å; T152-S154 PolarHBondContact O-N 3.23Å; T152-S154 PolarHBondContact OG1-OG 3.23Å; T152-E155 WeakPolarHBondContact O-CB 3.17Å; T152-E155 WeakPolarHBondContact O-CG 3.49Å; T152-E155 PolarHBondContact O-N 3.49Å
153Y41.9Very low40.1Very low64 Ų6483.2 Ų83.225%0.25146%0.461SS..G310 helixtrans-55-16.6171.8-145.5-103.8000112.9E155 Y156 K157 Y160 N199 Y200Y153-E155 PolarHBondContact O-N 3.05Å; Y153-E155 VanDerWaalsContact O-N 3.12Å; Y153-Y156 PolarHBondContact O-N 3.47Å; Y153-K157 PolarHBondContact O-N 2.97Å; Y153-Y160 HydrophobicContact CD1-CD2 4.1Å; Y153-Y160 AromaticContact CD1-CE2 3.86Å; Y153-Y160 HydrophobicContact CD1-CE2 3.86Å; Y153-Y160 AromaticContact CE1-CD2 3.47Å; Y153-Y160 HydrophobicContact CE1-CD2 3.47Å; Y153-Y160 VanDerWaalsContact CE1-CD2 3.47Å; Y153-Y160 HydrophobicContact CE1-CE1 4.38Å; Y153-Y160 AromaticContact CE1-CE2 3.07Å; Y153-Y160 HydrophobicContact CE1-CE2 3.07Å; Y153-Y160 HydrophobicContact CE1-CG 4.31Å; Y153-Y160 AromaticContact CE1-CZ 3.62Å; Y153-Y160 HydrophobicContact CE2-CE2 4.01Å; Y153-Y160 AromaticContact CZ-CE2 3.21Å; Y153-Y160 AromaticContact CZ-CZ 3.31Å; Y153-Y160 VanDerWaalsContact CZ-OH 3.29Å; Y153-Y160 WeakPolarHBondContact OH-CE2 3.42Å; Y153-Y160 PolarHBondContact OH-OH 3.44Å; Y153-N199 PolarHBondContact OH-O 2.68Å; Y153-Y200 WeakPolarHBondContact CE1-O 3.48Å; Y153-Y200 PolarHBondContact OH-O 2.88Å
154S39.9Very low41.1Very low70 Ų7078.9 Ų78.949%0.4944%0.442SS..G310 helixtrans-48.4-32.5167.481.40000112.9T152 Y156 K157T152-S154 WeakPolarHBondContact CB-OG 3.32Å; T152-S154 PolarHBondContact O-N 3.23Å; T152-S154 PolarHBondContact OG1-OG 3.23Å; S154-Y156 VanDerWaalsContact C-N 3.28Å; S154-Y156 PolarHBondContact O-N 2.87Å; S154-K157 VanDerWaalsContact O-CB 3.32Å; S154-K157 WeakPolarHBondContact O-CB 3.35Å; S154-K157 PolarHBondContact O-N 3.42Å
155E41Very low42.3Very low94 Ų9471.6 Ų71.644%0.43941%0.409SS..G310 helixtrans-69.9-22.4178.1-62.3-178.8123.200113.3K122 T152 Y153K122-E155 IonicContact NZ-OE1 2.61Å; K122-E155 PolarHBondContact NZ-OE1 3.17Å; K122-E155 IonicContact NZ-OE2 2.64Å; K122-E155 PolarHBondContact NZ-OE2 3.27Å; T152-E155 WeakPolarHBondContact O-CB 3.17Å; T152-E155 WeakPolarHBondContact O-CG 3.49Å; T152-E155 PolarHBondContact O-N 3.49Å; Y153-E155 PolarHBondContact O-N 3.05Å; Y153-E155 VanDerWaalsContact O-N 3.12Å
156Y47.7Very low43.5Very low73 Ų7369.4 Ų69.429%0.28639%0.394SS..G310 helixtrans-1021.1179-67.4-91000112.9L119 Y153 S154 D158 L159 Y160L119-Y156 HydrophobicContact CD1-CD1 3.91Å; L119-Y156 HydrophobicContact CD1-CE1 3.35Å; L119-Y156 HydrophobicContact CD2-CE1 4.03Å; L119-Y156 HydrophobicContact CG-CE1 4.34Å; Y153-Y156 PolarHBondContact O-N 3.47Å; S154-Y156 VanDerWaalsContact C-N 3.28Å; S154-Y156 PolarHBondContact O-N 2.87Å; Y156-D158 VanDerWaalsContact C-N 3.26Å; Y156-D158 PolarHBondContact O-N 3.09Å; Y156-L159 HydrophobicContact CD1-CD2 3.86Å; Y156-L159 WeakPolarHBondContact O-CA 3.46Å; Y156-L159 WeakPolarHBondContact O-CB 3.36Å; Y156-L159 PolarHBondContact O-N 3.23Å; Y156-Y160 HydrophobicContact CG-CE2 4.46Å; Y156-Y160 WeakPolarHBondContact O-CD2 3.45Å; Y156-Y160 PolarHBondContact O-N 3.01Å
157K53.2Low44.4Very low98 Ų9865.2 Ų65.243%0.42637%0.369SS..Hα-helixtrans-51.6-44.4-175.9-178.2174.6-178.2166.20112.8Y153 S154 L159 Y160 A161 E204Y153-K157 PolarHBondContact O-N 2.97Å; S154-K157 VanDerWaalsContact O-CB 3.32Å; S154-K157 WeakPolarHBondContact O-CB 3.35Å; S154-K157 PolarHBondContact O-N 3.42Å; K157-L159 VanDerWaalsContact C-N 3.29Å; K157-L159 PolarHBondContact O-N 3.19Å; K157-Y160 PolarHBondContact O-N 3.41Å; K157-A161 WeakPolarHBondContact O-CB 3.36Å; K157-A161 PolarHBondContact O-N 2.56Å; K157-E204 IonicContact NZ-OE1 3.59Å; K157-E204 PolarHBondContact NZ-OE1 3.1Å
158D52.4Low45.4Very low91 Ų9158.5 Ų58.549%0.48734%0.34SS..Hα-helixtrans-68.1-29.2178.3-68.7-14.2000112.5V115 Y156 G162V115-D158 HydrophobicContact CG1-CB 4.31Å; Y156-D158 VanDerWaalsContact C-N 3.26Å; Y156-D158 PolarHBondContact O-N 3.09Å; D158-G162 PolarHBondContact O-N 3.32Å
159L51.4Low46.4Very low15 Ų1556.4 Ų56.48%0.07932%0.316CS..Hα-helixtrans-67.7-50.2177.3-170.472.8000109M112 V115 L116 Y156 K157 A161 G162 M163M112-L159 HydrophobicContact CE-CD1 3.29Å; M112-L159 HydrophobicContact CE-CG 4.03Å; M112-L159 HydrophobicContact SD-CD1 3.77Å; M112-L159 HydrophobicContact SD-CG 4.5Å; V115-L159 HydrophobicContact CB-CB 4.5Å; V115-L159 HydrophobicContact CB-CD1 3.78Å; V115-L159 VanDerWaalsContact CG1-CA 3.49Å; V115-L159 HydrophobicContact CG1-CB 3.51Å; V115-L159 HydrophobicContact CG1-CD1 3.6Å; V115-L159 HydrophobicContact CG1-CG 4.18Å; L116-L159 HydrophobicContact CD2-CD1 3.64Å; L116-L159 HydrophobicContact CD2-CD2 4.23Å; L116-L159 HydrophobicContact CG-CD1 3.89Å; Y156-L159 HydrophobicContact CD1-CD2 3.86Å; Y156-L159 WeakPolarHBondContact O-CA 3.46Å; Y156-L159 WeakPolarHBondContact O-CB 3.36Å; Y156-L159 PolarHBondContact O-N 3.23Å; K157-L159 VanDerWaalsContact C-N 3.29Å; K157-L159 PolarHBondContact O-N 3.19Å; L159-A161 VanDerWaalsContact C-N 3.31Å; L159-A161 PolarHBondContact O-N 3.01Å; L159-G162 PolarHBondContact O-N 3.01Å; L159-M163 HydrophobicContact CG-SD 4.21Å; L159-M163 WeakPolarHBondContact O-CB 3.39Å; L159-M163 VanDerWaalsContact O-CG 3.31Å; L159-M163 WeakPolarHBondContact O-CG 3.45Å; L159-M163 PolarHBondContact O-N 2.91Å
160Y51.8Low47.3Very low68 Ų6858.9 Ų58.927%0.26732%0.324SS..Hα-helixtrans-63.7-37.5177.6-72.1-70.5000112Y153 Y156 K157 M163 S164 N199Y153-Y160 HydrophobicContact CD1-CD2 4.1Å; Y153-Y160 AromaticContact CD1-CE2 3.86Å; Y153-Y160 HydrophobicContact CD1-CE2 3.86Å; Y153-Y160 AromaticContact CE1-CD2 3.47Å; Y153-Y160 HydrophobicContact CE1-CD2 3.47Å; Y153-Y160 VanDerWaalsContact CE1-CD2 3.47Å; Y153-Y160 HydrophobicContact CE1-CE1 4.38Å; Y153-Y160 AromaticContact CE1-CE2 3.07Å; Y153-Y160 HydrophobicContact CE1-CE2 3.07Å; Y153-Y160 HydrophobicContact CE1-CG 4.31Å; Y153-Y160 AromaticContact CE1-CZ 3.62Å; Y153-Y160 HydrophobicContact CE2-CE2 4.01Å; Y153-Y160 AromaticContact CZ-CE2 3.21Å; Y153-Y160 AromaticContact CZ-CZ 3.31Å; Y153-Y160 VanDerWaalsContact CZ-OH 3.29Å; Y153-Y160 WeakPolarHBondContact OH-CE2 3.42Å; Y153-Y160 PolarHBondContact OH-OH 3.44Å; Y156-Y160 HydrophobicContact CG-CE2 4.46Å; Y156-Y160 WeakPolarHBondContact O-CD2 3.45Å; Y156-Y160 PolarHBondContact O-N 3.01Å; K157-Y160 PolarHBondContact O-N 3.41Å; Y160-M163 PolarHBondContact O-N 2.76Å; Y160-S164 VanDerWaalsContact O-CB 3.24Å; Y160-S164 WeakPolarHBondContact O-CB 3.48Å; Y160-S164 PolarHBondContact O-N 3.24Å; Y160-S164 PolarHBondContact O-OG 3.36Å; Y160-S164 VanDerWaalsContact O-OG 3.12Å; Y160-N199 HydrophobicContact CE1-CB 4Å
161A55.8Low48.2Very low53 Ų5356.5 Ų56.544%0.43830%0.296SS..Hα-helixtrans-64.9-40.9174.600000112.6K157 L159 S164 D165K157-A161 WeakPolarHBondContact O-CB 3.36Å; K157-A161 PolarHBondContact O-N 2.56Å; L159-A161 VanDerWaalsContact C-N 3.31Å; L159-A161 PolarHBondContact O-N 3.01Å; A161-S164 WeakPolarHBondContact CA-OG 3.33Å; A161-S164 PolarHBondContact O-OG 2.84Å; A161-D165 PolarHBondContact O-N 2.86Å; A161-D165 VanDerWaalsContact O-N 3.13Å
162G52.3Low48.8Very low8 Ų855.8 Ų55.88%0.08228%0.284CS..Hα-helixtrans-66.9-44.5174.700000112.6D158 L159 F166D158-G162 PolarHBondContact O-N 3.32Å; L159-G162 PolarHBondContact O-N 3.01Å; G162-F166 WeakPolarHBondContact O-CB 3.48Å; G162-F166 PolarHBondContact O-N 3.48Å; G162-F166 VanDerWaalsContact O-N 3.07Å
163M52.7Low48.9Very low53 Ų5353.6 Ų53.626%0.26128%0.275SS..Hα-helixtrans-65.6-38.7176.1-70.3-179.575.400112M112 L159 Y160 S167 R197M112-M163 HydrophobicContact CE-CG 3.39Å; M112-M163 HydrophobicContact CE-SD 3.88Å; M112-M163 HydrophobicContact SD-CG 3.52Å; M112-M163 VanDerWaalsContact SD-CG 3.52Å; L159-M163 HydrophobicContact CG-SD 4.21Å; L159-M163 WeakPolarHBondContact O-CB 3.39Å; L159-M163 VanDerWaalsContact O-CG 3.31Å; L159-M163 WeakPolarHBondContact O-CG 3.45Å; L159-M163 PolarHBondContact O-N 2.91Å; Y160-M163 PolarHBondContact O-N 2.76Å; M163-S167 WeakPolarHBondContact O-CB 3.27Å; M163-S167 PolarHBondContact O-N 3.42Å; M163-S167 PolarHBondContact O-OG 2.79Å; M163-R197 VanDerWaalsContact C-NH1 3.33Å; M163-R197 PolarHBondContact O-NH1 2.9Å
164S53Low48.7Very low29 Ų2952.5 Ų52.520%0.20328%0.283CS..Hα-helixtrans-64.9-4817864.30000110.3Y160 A161 F166 S167 D168Y160-S164 VanDerWaalsContact O-CB 3.24Å; Y160-S164 WeakPolarHBondContact O-CB 3.48Å; Y160-S164 PolarHBondContact O-N 3.24Å; Y160-S164 PolarHBondContact O-OG 3.36Å; Y160-S164 VanDerWaalsContact O-OG 3.12Å; A161-S164 WeakPolarHBondContact CA-OG 3.33Å; A161-S164 PolarHBondContact O-OG 2.84Å; S164-F166 PolarHBondContact O-N 3.18Å; S164-S167 PolarHBondContact O-N 2.94Å; S164-S167 VanDerWaalsContact O-N 3.13Å; S164-D168 WeakPolarHBondContact O-CB 3.47Å; S164-D168 PolarHBondContact O-N 3.38Å
165D54.7Low48.7Very low24 Ų2451.1 Ų51.113%0.12827%0.27CS..Hα-helixtrans-61.5-42.3178.1-171.643.3000112.4Y34 A161 S167 R169Y34-D165 PolarHBondContact OH-OD2 2.85Å; A161-D165 PolarHBondContact O-N 2.86Å; A161-D165 VanDerWaalsContact O-N 3.13Å; D165-S167 VanDerWaalsContact C-N 3.32Å; D165-S167 PolarHBondContact O-N 3.49Å; D165-R169 VanDerWaalsContact O-CB 3.25Å; D165-R169 WeakPolarHBondContact O-CB 3.43Å; D165-R169 VanDerWaalsContact O-CG 3.25Å; D165-R169 WeakPolarHBondContact O-CG 3.25Å; D165-R169 PolarHBondContact O-N 3.45Å; D165-R169 VanDerWaalsContact O-N 3.15Å; D165-R169 IonicContact OD1-CZ 3.24Å; D165-R169 IonicContact OD1-NE 3.86Å; D165-R169 PolarHBondContact OD1-NE 3.31Å; D165-R169 IonicContact OD1-NH2 3.43Å; D165-R169 PolarHBondContact OD1-NH2 2.84Å; D165-R169 IonicContact OD2-CZ 3.54Å; D165-R169 IonicContact OD2-NE 3.99Å; D165-R169 IonicContact OD2-NH2 2.75Å
166F52.6Low48.5Very low49 Ų4948.7 Ų48.722%0.21526%0.259CS..Hα-helixtrans-58-45.5173.3177.2-109.8000112.3P108 M109 G162 S164 R169 I170P108-F166 HydrophobicContact CB-CB 3.83Å; P108-F166 HydrophobicContact CB-CD2 4.32Å; M109-F166 HydrophobicContact CB-CD2 3.88Å; M109-F166 HydrophobicContact CB-CE2 3.65Å; M109-F166 HydrophobicContact CB-CZ 4.38Å; M109-F166 HydrophobicContact CE-CE1 4.35Å; M109-F166 HydrophobicContact CE-CE2 3.45Å; M109-F166 VanDerWaalsContact CE-CE2 3.45Å; M109-F166 HydrophobicContact CE-CZ 3.25Å; M109-F166 HydrophobicContact CG-CE2 4.19Å; M109-F166 HydrophobicContact CG-CZ 4.45Å; G162-F166 WeakPolarHBondContact O-CB 3.48Å; G162-F166 PolarHBondContact O-N 3.48Å; G162-F166 VanDerWaalsContact O-N 3.07Å; S164-F166 PolarHBondContact O-N 3.18Å; F166-R169 PolarHBondContact O-N 2.99Å; F166-I170 HydrophobicContact CD1-CD1 4.47Å; F166-I170 HydrophobicContact CD2-CD1 3.83Å; F166-I170 HydrophobicContact CE1-CD1 3.87Å; F166-I170 HydrophobicContact CE2-CD1 3.12Å; F166-I170 HydrophobicContact CE2-CG1 4.23Å; F166-I170 HydrophobicContact CG-CD1 4.46Å; F166-I170 HydrophobicContact CZ-CD1 3.15Å; F166-I170 HydrophobicContact CZ-CG1 4.44Å; F166-I170 PolarHBondContact O-N 2.87Å; F166-I170 VanDerWaalsContact O-N 3.07Å
167S52.5Low48Very low5 Ų553 Ų534%0.03528%0.282CS..Hα-helixtrans-85.7-30.2-169.6-54.80000112.7M163 S164 D165 R169 I171 K196 R197M163-S167 WeakPolarHBondContact O-CB 3.27Å; M163-S167 PolarHBondContact O-N 3.42Å; M163-S167 PolarHBondContact O-OG 2.79Å; S164-S167 PolarHBondContact O-N 2.94Å; S164-S167 VanDerWaalsContact O-N 3.13Å; D165-S167 VanDerWaalsContact C-N 3.32Å; D165-S167 PolarHBondContact O-N 3.49Å; S167-R169 VanDerWaalsContact C-N 3.27Å; S167-I171 WeakPolarHBondContact O-CB 3.45Å; S167-I171 WeakPolarHBondContact O-CD1 3.31Å; S167-I171 WeakPolarHBondContact O-CG1 3.39Å; S167-I171 PolarHBondContact O-N 3.11Å; S167-I171 VanDerWaalsContact O-N 3.16Å; S167-K196 PolarHBondContact O-NZ 3.15Å; S167-R197 PolarHBondContact OG-NH1 3.17Å; S167-R197 PolarHBondContact OG-NH2 3.41Å
168D52.4Low47.4Very low58 Ų5850 Ų5031%0.3127%0.273SS..Hα-helixtrans-63.5-39168.7-71.5-11.6000109.5S164 F172 R212S164-D168 WeakPolarHBondContact O-CB 3.47Å; S164-D168 PolarHBondContact O-N 3.38Å; D168-F172 WeakPolarHBondContact O-CB 3.36Å; D168-R212 IonicContact OD2-NH1 2.73Å; D168-R212 PolarHBondContact OD2-NH1 2.88Å
169R48.6Very low46.9Very low58 Ų5849.3 Ų49.322%0.21927%0.269CS..Hα-helixtrans-71.7-48.5179.9-81.4-174.6-158.7-135.26.6113.9S100 T102 K103 D165 F166 S167S100-R169 PolarHBondContact O-NH1 2.74Å; S100-R169 PolarHBondContact O-NH2 2.77Å; T102-R169 PolarHBondContact O-NH1 3.08Å; K103-R169 WeakPolarHBondContact O-CB 3.37Å; D165-R169 VanDerWaalsContact O-CB 3.25Å; D165-R169 WeakPolarHBondContact O-CB 3.43Å; D165-R169 VanDerWaalsContact O-CG 3.25Å; D165-R169 WeakPolarHBondContact O-CG 3.25Å; D165-R169 PolarHBondContact O-N 3.45Å; D165-R169 VanDerWaalsContact O-N 3.15Å; D165-R169 IonicContact OD1-CZ 3.24Å; D165-R169 IonicContact OD1-NE 3.86Å; D165-R169 PolarHBondContact OD1-NE 3.31Å; D165-R169 IonicContact OD1-NH2 3.43Å; D165-R169 PolarHBondContact OD1-NH2 2.84Å; D165-R169 IonicContact OD2-CZ 3.54Å; D165-R169 IonicContact OD2-NE 3.99Å; D165-R169 IonicContact OD2-NH2 2.75Å; F166-R169 PolarHBondContact O-N 2.99Å; S167-R169 VanDerWaalsContact C-N 3.27Å
170I46.9Very low46.5Very low83 Ų8350.4 Ų50.443%0.42628%0.275SS..Hα-helixtrans-75.3-46.2-175.9-70.7-177.2000112.6F166 G174F166-I170 HydrophobicContact CD1-CD1 4.47Å; F166-I170 HydrophobicContact CD2-CD1 3.83Å; F166-I170 HydrophobicContact CE1-CD1 3.87Å; F166-I170 HydrophobicContact CE2-CD1 3.12Å; F166-I170 HydrophobicContact CE2-CG1 4.23Å; F166-I170 HydrophobicContact CG-CD1 4.46Å; F166-I170 HydrophobicContact CZ-CD1 3.15Å; F166-I170 HydrophobicContact CZ-CG1 4.44Å; F166-I170 PolarHBondContact O-N 2.87Å; F166-I170 VanDerWaalsContact O-N 3.07Å; I170-G174 PolarHBondContact O-N 2.94Å
171I46Very low46Very low17 Ų1753.4 Ų53.49%0.08730%0.303CS..Hα-helixtrans-75.2-36.1-169.2-69.6162.6000111.6S167 A173 L175 K196 F246S167-I171 WeakPolarHBondContact O-CB 3.45Å; S167-I171 WeakPolarHBondContact O-CD1 3.31Å; S167-I171 WeakPolarHBondContact O-CG1 3.39Å; S167-I171 PolarHBondContact O-N 3.11Å; S167-I171 VanDerWaalsContact O-N 3.16Å; I171-A173 VanDerWaalsContact C-N 3.31Å; I171-A173 PolarHBondContact O-N 2.83Å; I171-L175 WeakPolarHBondContact O-CB 3.48Å; I171-L175 PolarHBondContact O-N 3.01Å; I171-K196 VanDerWaalsContact CB-NZ 3.33Å; I171-F246 HydrophobicContact CB-CD1 4.24Å; I171-F246 HydrophobicContact CB-CE1 4.18Å; I171-F246 HydrophobicContact CD1-CB 3.81Å; I171-F246 HydrophobicContact CD1-CD1 3.49Å; I171-F246 VanDerWaalsContact CD1-CD1 3.49Å; I171-F246 HydrophobicContact CD1-CE1 4.29Å; I171-F246 HydrophobicContact CD1-CG 3.87Å; I171-F246 HydrophobicContact CG1-CD1 3.87Å; I171-F246 HydrophobicContact CG1-CE1 4.24Å; I171-F246 HydrophobicContact CG2-CD1 3.42Å; I171-F246 VanDerWaalsContact CG2-CD1 3.42Å; I171-F246 HydrophobicContact CG2-CE1 2.98Å; I171-F246 HydrophobicContact CG2-CE2 4.02Å; I171-F246 HydrophobicContact CG2-CG 4.21Å; I171-F246 HydrophobicContact CG2-CZ 3.26Å
172F44.2Very low45.4Very low82 Ų8253.3 Ų53.336%0.3630%0.299SS..Hα-helixtrans-71.4-30.3-177.6-133.5-96000111.5D168 L176 L190 V194D168-F172 WeakPolarHBondContact O-CB 3.36Å; F172-L176 HydrophobicContact CD1-CD1 3.43Å; F172-L176 VanDerWaalsContact CD1-CD1 3.43Å; F172-L176 HydrophobicContact CE1-CD1 3.49Å; F172-L176 VanDerWaalsContact CE1-CD1 3.49Å; F172-L176 HydrophobicContact CG-CD1 4.25Å; F172-L176 HydrophobicContact CZ-CD1 4.33Å; F172-L176 WeakPolarHBondContact O-CD1 3.29Å; F172-L190 HydrophobicContact CE1-CD2 3.65Å; F172-L190 HydrophobicContact CZ-CD2 3.62Å; F172-V194 HydrophobicContact CE2-CG2 4.39Å
173A35.1Very low44.8Very low34 Ų3459.7 Ų59.728%0.28133%0.33SS..Hα-helixtrans-72.3-49.4176.400000112.5I171I171-A173 VanDerWaalsContact C-N 3.31Å; I171-A173 PolarHBondContact O-N 2.83Å
174G38.3Very low44.3Very low41 Ų4164.5 Ų64.542%0.42336%0.356SS..Hα-helixtrans-78.5-35.7-172.500000115.9I170 S178I170-G174 PolarHBondContact O-N 2.94Å; G174-S178 PolarHBondContact O-N 2.77Å; G174-S178 PolarHBondContact O-OG 3.21Å
175L39.4Very low43.9Very low40 Ų4067 Ų6721%0.20937%0.368CS..Hα-helixtrans-79.4-36.6-174.4-138.595.7000112.5I171 Q177 S178 L179 F246 V275I171-L175 WeakPolarHBondContact O-CB 3.48Å; I171-L175 PolarHBondContact O-N 3.01Å; L175-Q177 VanDerWaalsContact C-N 3.34Å; L175-S178 PolarHBondContact O-N 3.49Å; L175-S178 PolarHBondContact O-OG 3.42Å; L175-L179 HydrophobicContact CD2-CD1 3.47Å; L175-L179 VanDerWaalsContact CD2-CD1 3.47Å; L175-L179 HydrophobicContact CG-CD1 3.68Å; L175-L179 WeakPolarHBondContact O-CB 3.4Å; L175-L179 WeakPolarHBondContact O-CG 3.44Å; L175-L179 PolarHBondContact O-N 2.83Å; L175-L179 VanDerWaalsContact O-N 3.07Å; L175-F246 HydrophobicContact CD1-CE1 4.29Å; L175-F246 HydrophobicContact CD2-CE1 4.42Å; L175-F246 HydrophobicContact CD2-CZ 4.11Å; L175-V275 HydrophobicContact CD1-CG2 3.95Å
176L37.5Very low43.1Very low43 Ų4368.5 Ų68.523%0.22538%0.375CS..Hα-helixtrans-68.9-33.9178.6-76.3171.7000112.2F172 S178 I180 L186 L190F172-L176 HydrophobicContact CD1-CD1 3.43Å; F172-L176 VanDerWaalsContact CD1-CD1 3.43Å; F172-L176 HydrophobicContact CE1-CD1 3.49Å; F172-L176 VanDerWaalsContact CE1-CD1 3.49Å; F172-L176 HydrophobicContact CG-CD1 4.25Å; F172-L176 HydrophobicContact CZ-CD1 4.33Å; F172-L176 WeakPolarHBondContact O-CD1 3.29Å; L176-S178 VanDerWaalsContact C-N 3.34Å; L176-I180 HydrophobicContact CD2-CD1 4.09Å; L176-I180 PolarHBondContact O-N 2.67Å; L176-L186 HydrophobicContact CD1-CD2 4.49Å; L176-L190 HydrophobicContact CD1-CD2 4.39Å
177Q38.1Very low42.3Very low165 Ų16574.9 Ų74.977%0.77141%0.406SS*.Hα-helixtrans-75-24.5-179.7-144.1165.719.300112.8L175L175-Q177 VanDerWaalsContact C-N 3.34Å
178S40.3Very low41.7Very low34 Ų3482.9 Ų82.924%0.23844%0.44CS..Hα-helixtrans-96.7-23.9-179.555.10000114.2G174 L175 L176G174-S178 PolarHBondContact O-N 2.77Å; G174-S178 PolarHBondContact O-OG 3.21Å; L175-S178 PolarHBondContact O-N 3.49Å; L175-S178 PolarHBondContact O-OG 3.42Å; L176-S178 VanDerWaalsContact C-N 3.34Å
179L40.7Very low40.9Very low77 Ų7782.1 Ų82.140%0.40344%0.441SS..Hα-helixtrans-97.3-20.1-179.2-71.5168.9000114.6L175 L295L175-L179 HydrophobicContact CD2-CD1 3.47Å; L175-L179 VanDerWaalsContact CD2-CD1 3.47Å; L175-L179 HydrophobicContact CG-CD1 3.68Å; L175-L179 WeakPolarHBondContact O-CB 3.4Å; L175-L179 WeakPolarHBondContact O-CG 3.44Å; L175-L179 PolarHBondContact O-N 2.83Å; L175-L179 VanDerWaalsContact O-N 3.07Å; L179-L295 HydrophobicContact CD2-CD1 4.12Å; L179-L295 HydrophobicContact CD2-CD2 3.59Å; L179-L295 HydrophobicContact CG-CD2 3.86Å
180I43.4Very low40.4Very low37 Ų3781.8 Ų81.819%0.1944%0.444CS..  trans-131.391.5-175.6-50.2178.1000109.9L176 S182 A189L176-I180 HydrophobicContact CD2-CD1 4.09Å; L176-I180 PolarHBondContact O-N 2.67Å; I180-S182 WeakPolarHBondContact CG2-O 2.94Å; I180-S182 PolarHBondContact O-N 3.37Å; I180-S182 VanDerWaalsContact O-N 3.14Å; I180-A189 HydrophobicContact CD1-CB 3.42Å; I180-A189 VanDerWaalsContact CD1-CB 3.42Å
181P41.9Very low39.7Very low131 Ų13178.5 Ų78.585%0.85143%0.43SS*.SBendtrans-67.4-10.2-177.9-19.931.9000115
182S43.8Very low39Very low52 Ų5280.5 Ų80.536%0.36445%0.45SS..  trans-120.4113.2-178.167.60000111.4I180 D184 N185I180-S182 WeakPolarHBondContact CG2-O 2.94Å; I180-S182 PolarHBondContact O-N 3.37Å; I180-S182 VanDerWaalsContact O-N 3.14Å; S182-D184 PolarHBondContact O-N 3.08Å; S182-D184 VanDerWaalsContact O-N 3.07Å; S182-N185 PolarHBondContact O-N 3.42Å
183I38.5Very low38.6Very low141 Ų14182.2 Ų82.272%0.72345%0.454SS*.G310 helixtrans-55.5-25.7-179.8-72.3169.8000112.7N185 L186I183-N185 VanDerWaalsContact C-N 3.27Å; I183-N185 PolarHBondContact O-N 2.92Å; I183-L186 PolarHBondContact O-N 2.91Å
184D42.7Very low38.6Very low154 Ų15482.9 Ų82.982%0.82446%0.455SS*.G310 helixtrans-71.6-12-175-61.8-28.3000115.1S182S182-D184 PolarHBondContact O-N 3.08Å; S182-D184 VanDerWaalsContact O-N 3.07Å
185N43.9Very low38.2Very low83 Ų8383.9 Ų83.944%0.44445%0.453SS..G310 helixtrans-104.73.3177.8-80.2-41.3000114.1S182 I183 E187 K188 A189S182-N185 PolarHBondContact O-N 3.42Å; I183-N185 VanDerWaalsContact C-N 3.27Å; I183-N185 PolarHBondContact O-N 2.92Å; N185-E187 VanDerWaalsContact C-N 3.35Å; N185-E187 PolarHBondContact O-N 2.92Å; N185-K188 PolarHBondContact O-N 3.4Å; N185-A189 PolarHBondContact O-N 3.49Å
186L38.8Very low38.2Very low55 Ų5584.4 Ų84.429%0.28845%0.453SS..Hα-helixtrans-59.7-41.6-176.7-111.6105.7000112.5L176 I183 K188 A189 L190L176-L186 HydrophobicContact CD1-CD2 4.49Å; I183-L186 PolarHBondContact O-N 2.91Å; L186-K188 VanDerWaalsContact C-N 3.34Å; L186-K188 PolarHBondContact O-N 3.16Å; L186-A189 PolarHBondContact O-N 3Å; L186-L190 HydrophobicContact CD2-CD1 4.21Å; L186-L190 VanDerWaalsContact O-CB 3.25Å; L186-L190 WeakPolarHBondContact O-CB 3.41Å; L186-L190 WeakPolarHBondContact O-CD1 3.33Å; L186-L190 WeakPolarHBondContact O-CG 3.32Å; L186-L190 PolarHBondContact O-N 3.26Å
187E36.6Very low38.2Very low182 Ų18285.1 Ų85.185%0.8545%0.453SS*.Hα-helixtrans-66.6-32.3-180-74.4-173.1152.900113.3N185N185-E187 VanDerWaalsContact C-N 3.35Å; N185-E187 PolarHBondContact O-N 2.92Å
188K39Very low37.8Very low174 Ų17478.6 Ų78.676%0.75743%0.425SS*.Hα-helixtrans-77.2-37175.8-88.3-179.9177.1172.90112.6N185 L186 G191N185-K188 PolarHBondContact O-N 3.4Å; L186-K188 VanDerWaalsContact C-N 3.34Å; L186-K188 PolarHBondContact O-N 3.16Å; K188-G191 PolarHBondContact O-N 3.48Å
189A36.5Very low37.6Very low41 Ų4178.6 Ų78.634%0.33942%0.422SS..Hα-helixtrans-75.1-35178.700000112.5I180 N185 L186 G191 A192I180-A189 HydrophobicContact CD1-CB 3.42Å; I180-A189 VanDerWaalsContact CD1-CB 3.42Å; N185-A189 PolarHBondContact O-N 3.49Å; L186-A189 PolarHBondContact O-N 3Å; A189-G191 PolarHBondContact O-N 3.48Å; A189-A192 PolarHBondContact O-N 3.43Å
190L36.5Very low37.7Very low52 Ų5281.8 Ų81.827%0.27243%0.43SS..THydrogen-bonded Turntrans-63.5-20.7171.4-74.7165.4000112.6F172 L176 L186 A192F172-L190 HydrophobicContact CE1-CD2 3.65Å; F172-L190 HydrophobicContact CZ-CD2 3.62Å; L176-L190 HydrophobicContact CD1-CD2 4.39Å; L186-L190 HydrophobicContact CD2-CD1 4.21Å; L186-L190 VanDerWaalsContact O-CB 3.25Å; L186-L190 WeakPolarHBondContact O-CB 3.41Å; L186-L190 WeakPolarHBondContact O-CD1 3.33Å; L186-L190 WeakPolarHBondContact O-CG 3.32Å; L186-L190 PolarHBondContact O-N 3.26Å; L190-A192 VanDerWaalsContact C-N 3.31Å; L190-A192 PolarHBondContact O-N 3.36Å
191G33.7Very low38Very low13 Ų1381.9 Ų81.913%0.13443%0.43CS..THydrogen-bonded Turntrans-80.23176.100000115.2K188 A189 N220K188-G191 PolarHBondContact O-N 3.48Å; A189-G191 PolarHBondContact O-N 3.48Å; G191-N220 WeakPolarHBondContact O-CB 3.26Å
192A31.2Very low38.4Very low60 Ų6077.1 Ų77.150%0.49640%0.4SS..SBendtrans-144.1105.7-179.600000110.9A189 L190A189-A192 PolarHBondContact O-N 3.43Å; L190-A192 VanDerWaalsContact C-N 3.31Å; L190-A192 PolarHBondContact O-N 3.36Å
193Y33.9Very low39Very low118 Ų11882.2 Ų82.246%0.46342%0.418SS..  trans71.1100.6164.9-74-82.6000118.6F240Y193-F240 AromaticContact CD1-CD1 3.84Å; Y193-F240 HydrophobicContact CD1-CD1 3.84Å; Y193-F240 HydrophobicContact CD1-CE1 4.02Å; Y193-F240 AromaticContact CE1-CD1 3.27Å; Y193-F240 HydrophobicContact CE1-CD1 3.27Å; Y193-F240 AromaticContact CE1-CE1 3.05Å; Y193-F240 HydrophobicContact CE1-CE1 3.05Å; Y193-F240 HydrophobicContact CE1-CG 4.47Å; Y193-F240 HydrophobicContact CE1-CZ 4.09Å; Y193-F240 HydrophobicContact CE2-CD1 4.03Å; Y193-F240 HydrophobicContact CE2-CE1 4.27Å; Y193-F240 HydrophobicContact CG-CD1 4.48Å; Y193-F240 AromaticContact CZ-CD1 3.4Å; Y193-F240 VanDerWaalsContact CZ-CD1 3.4Å; Y193-F240 AromaticContact CZ-CE1 3.24Å; Y193-F240 WeakPolarHBondContact OH-CE1 3.2Å
194V35.1Very low39.7Very low48 Ų4879 Ų7929%0.29140%0.4SS..  trans-120.893.2147.7-178.10000107.7F172 K196 L221F172-V194 HydrophobicContact CE2-CG2 4.39Å; V194-K196 HydrophobicContact CG1-CB 4.28Å; V194-K196 HydrophobicContact CG1-CD 4.39Å; V194-K196 HydrophobicContact CG1-CG 4.33Å; V194-L221 HydrophobicContact CB-CD1 4.17Å
195T31.6Very low40.2Very low61 Ų6174 Ų7437%0.37438%0.379SS..  trans-81115163.112.70000107.6
196K38.6Very low41Very low52 Ų5271.3 Ų71.323%0.22637%0.365CS..  trans-139.8135.5175.4-109.9-171.5179.3-175.20113.2S167 I171 V194 F246S167-K196 PolarHBondContact O-NZ 3.15Å; I171-K196 VanDerWaalsContact CB-NZ 3.33Å; V194-K196 HydrophobicContact CG1-CB 4.28Å; V194-K196 HydrophobicContact CG1-CD 4.39Å; V194-K196 HydrophobicContact CG1-CG 4.33Å; K196-F246 HydrophobicContact CD-CB 4.41Å; K196-F246 HydrophobicContact CD-CD2 3.6Å; K196-F246 HydrophobicContact CD-CE2 3.86Å; K196-F246 HydrophobicContact CD-CG 4.2Å; K196-F246 HydrophobicContact CG-CB 4.27Å; K196-F246 HydrophobicContact CG-CD2 3.23Å; K196-F246 HydrophobicContact CG-CE2 3.7Å; K196-F246 HydrophobicContact CG-CG 4.12Å
197R36.7Very low42.2Very low57 Ų5770.8 Ų70.822%0.21537%0.369CS..  trans73.394.6160.8-65.7-172.5163.9-171.9-13.6117.4M163 S167 N199 I201 D247M163-R197 VanDerWaalsContact C-NH1 3.33Å; M163-R197 PolarHBondContact O-NH1 2.9Å; S167-R197 PolarHBondContact OG-NH1 3.17Å; S167-R197 PolarHBondContact OG-NH2 3.41Å; R197-N199 PolarHBondContact O-N 3.04Å; R197-I201 WeakPolarHBondContact O-CD1 3.29Å; R197-D247 IonicContact NH2-OD2 2.88Å
198V29.9Very low43.4Very low29 Ų2967 Ų6718%0.17635%0.349CS..  trans-90.493159-178.60000107.7A228 V248 Q252V198-A228 HydrophobicContact CB-CB 3.9Å; V198-A228 HydrophobicContact CG1-CB 3.85Å; V198-A228 HydrophobicContact CG2-CB 3.29Å; V198-V248 HydrophobicContact CB-CG1 3.6Å; V198-V248 HydrophobicContact CG2-CG1 4.31Å; V198-V248 WeakPolarHBondContact O-CG1 3.17Å; V198-Q252 PolarHBondContact O-NE2 3.34Å
199N36.6Very low44.4Very low34 Ų3459.5 Ų59.518%0.18232%0.32CS..SBendtrans-135113.1149.7-89.2-22.9000103.3Y153 Y160 R197 I201 D251Y153-N199 PolarHBondContact OH-O 2.68Å; Y160-N199 HydrophobicContact CE1-CB 4Å; R197-N199 PolarHBondContact O-N 3.04Å; N199-I201 VanDerWaalsContact C-N 3.31Å; N199-I201 WeakPolarHBondContact O-CA 2.82Å; N199-I201 WeakPolarHBondContact O-CG1 3.08Å; N199-I201 PolarHBondContact O-N 3.46Å; N199-D251 PolarHBondContact ND2-OD2 2.79Å
200Y43.6Very low45.8Very low144 Ų14460.1 Ų60.157%0.56532%0.318SS*.  trans-0.977.6179.9-77.6-94.7000113.7Y153 S202Y153-Y200 WeakPolarHBondContact CE1-O 3.48Å; Y153-Y200 PolarHBondContact OH-O 2.88Å; Y200-S202 PolarHBondContact O-N 3.15Å
201I49.5Very low47.4Very low38 Ų3861.5 Ų61.520%0.19533%0.325CS..  trans-69.6128.9-167.7-65.5161.7000108.4R197 N199 A205 I206 L225R197-I201 WeakPolarHBondContact O-CD1 3.29Å; N199-I201 VanDerWaalsContact C-N 3.31Å; N199-I201 WeakPolarHBondContact O-CA 2.82Å; N199-I201 WeakPolarHBondContact O-CG1 3.08Å; N199-I201 PolarHBondContact O-N 3.46Å; I201-A205 HydrophobicContact CG2-CB 3.71Å; I201-I206 HydrophobicContact CD1-CD1 4.2Å; I201-I206 HydrophobicContact CG2-CD1 4.23Å; I201-I206 HydrophobicContact CG2-CG1 3.7Å; I201-L225 HydrophobicContact CB-CD1 3.51Å; I201-L225 HydrophobicContact CD1-CD1 4.49Å; I201-L225 HydrophobicContact CG2-CD1 4.06Å; I201-L225 WeakPolarHBondContact O-CD1 3.34Å
202S49.9Very low48.8Very low31 Ų3164.8 Ų64.822%0.21733%0.334CS..  trans-68.9147.8164.768.60000109.5Y200 E204 A205Y200-S202 PolarHBondContact O-N 3.15Å; S202-E204 WeakPolarHBondContact CB-OE2 3.39Å; S202-E204 PolarHBondContact O-N 3.43Å; S202-E204 WeakPolarHBondContact OG-CB 3.33Å; S202-E204 PolarHBondContact OG-OE2 2.75Å; S202-A205 PolarHBondContact O-N 2.9Å
203E55.8Low50.3Low159 Ų15963.3 Ų63.374%0.74332%0.316SS*.Hα-helixtrans-48.5-28.4174.2-64.2-174.7151.300112.6I206 A207E203-I206 PolarHBondContact O-N 3.24Å; E203-A207 WeakPolarHBondContact O-CB 3.45Å; E203-A207 PolarHBondContact O-N 2.98Å
204E53.7Low52.2Low75 Ų7565.1 Ų65.135%0.3533%0.327SS..Hα-helixtrans-63.6-38.4178.5-50.2164.7115.500113.3K157 S202 A207 F208K157-E204 IonicContact NZ-OE1 3.59Å; K157-E204 PolarHBondContact NZ-OE1 3.1Å; S202-E204 WeakPolarHBondContact CB-OE2 3.39Å; S202-E204 PolarHBondContact O-N 3.43Å; S202-E204 WeakPolarHBondContact OG-CB 3.33Å; S202-E204 PolarHBondContact OG-OE2 2.75Å; E204-A207 PolarHBondContact O-N 3.3Å; E204-F208 WeakPolarHBondContact O-CB 3.29Å; E204-F208 PolarHBondContact O-N 2.94Å
205A52.6Low53.8Low47 Ų4770.1 Ų70.139%0.38835%0.347SS..Hα-helixtrans-75-36-179.700000111.2I201 S202 F208 A209I201-A205 HydrophobicContact CG2-CB 3.71Å; S202-A205 PolarHBondContact O-N 2.9Å; A205-F208 PolarHBondContact O-N 2.77Å; A205-A209 VanDerWaalsContact O-CB 3.26Å; A205-A209 WeakPolarHBondContact O-CB 3.18Å; A205-A209 PolarHBondContact O-N 3.1Å
206I61.1Low55.3Low27 Ų2772.8 Ų72.814%0.13836%0.356CS..Hα-helixtrans-64.1-42.8170-66.5-65.1000110.2I201 E203 F208 A209 N210 L225I201-I206 HydrophobicContact CD1-CD1 4.2Å; I201-I206 HydrophobicContact CG2-CD1 4.23Å; I201-I206 HydrophobicContact CG2-CG1 3.7Å; E203-I206 PolarHBondContact O-N 3.24Å; I206-F208 PolarHBondContact O-N 2.88Å; I206-A209 PolarHBondContact O-N 3.49Å; I206-N210 WeakPolarHBondContact CG2-ND2 3.34Å; I206-N210 VanDerWaalsContact O-CB 3.31Å; I206-N210 WeakPolarHBondContact O-CB 3.41Å; I206-N210 VanDerWaalsContact O-CG 3.23Å; I206-N210 PolarHBondContact O-N 3.39Å; I206-N210 PolarHBondContact O-ND2 3.37Å; I206-N210 VanDerWaalsContact O-ND2 3.17Å; I206-L225 HydrophobicContact CG1-CB 4.2Å
207A64.6Low56.9Low45 Ų4576.8 Ų76.837%0.37238%0.381SS..Hα-helixtrans-61.3-44175.500000112E203 E204 N210 N211E203-A207 WeakPolarHBondContact O-CB 3.45Å; E203-A207 PolarHBondContact O-N 2.98Å; E204-A207 PolarHBondContact O-N 3.3Å; A207-N210 PolarHBondContact O-N 3.23Å; A207-N211 WeakPolarHBondContact O-CB 3.43Å; A207-N211 VanDerWaalsContact O-CG 3.25Å; A207-N211 PolarHBondContact O-N 3.26Å; A207-N211 PolarHBondContact O-ND2 3.06Å
208F60.5Low58.3Low101 Ų10175.5 Ų75.544%0.44338%0.377SS..Hα-helixtrans-61.1-46.1175.3179.1-97.7000111.8E204 A205 I206 N211 R212E204-F208 WeakPolarHBondContact O-CB 3.29Å; E204-F208 PolarHBondContact O-N 2.94Å; A205-F208 PolarHBondContact O-N 2.77Å; I206-F208 PolarHBondContact O-N 2.88Å; F208-N211 PolarHBondContact O-N 3.3Å; F208-R212 HydrophobicContact CE1-CG 4.24Å; F208-R212 HydrophobicContact CZ-CG 4.26Å; F208-R212 PolarHBondContact O-N 3.41Å
209A60.8Low59.9Low17 Ų1778.9 Ų78.914%0.1440%0.4CS..Hα-helixtrans-63.3-45.7178.500000111.5A205 I206 N211 R212 Q213 Y223A205-A209 VanDerWaalsContact O-CB 3.26Å; A205-A209 WeakPolarHBondContact O-CB 3.18Å; A205-A209 PolarHBondContact O-N 3.1Å; I206-A209 PolarHBondContact O-N 3.49Å; A209-N211 VanDerWaalsContact C-N 3.3Å; A209-N211 PolarHBondContact O-N 2.69Å; A209-R212 PolarHBondContact O-N 2.95Å; A209-Q213 PolarHBondContact O-N 3.44Å; A209-Y223 HydrophobicContact CB-CD1 3.66Å; A209-Y223 HydrophobicContact CB-CD2 3.81Å; A209-Y223 HydrophobicContact CB-CE1 3.57Å; A209-Y223 HydrophobicContact CB-CE2 3.68Å; A209-Y223 HydrophobicContact CB-CG 3.77Å; A209-Y223 WeakPolarHBondContact O-CE2 3.45Å
210N66.9Low61.3Low54 Ų5482.5 Ų82.529%0.28942%0.419SS..Hα-helixtrans-58.6-39.9174-77-32.9000112.2I206 A207 K214 Y223I206-N210 WeakPolarHBondContact CG2-ND2 3.34Å; I206-N210 VanDerWaalsContact O-CB 3.31Å; I206-N210 WeakPolarHBondContact O-CB 3.41Å; I206-N210 VanDerWaalsContact O-CG 3.23Å; I206-N210 PolarHBondContact O-N 3.39Å; I206-N210 PolarHBondContact O-ND2 3.37Å; I206-N210 VanDerWaalsContact O-ND2 3.17Å; A207-N210 PolarHBondContact O-N 3.23Å; N210-K214 WeakPolarHBondContact O-CG 3.14Å; N210-K214 PolarHBondContact O-N 3.19Å; N210-K214 VanDerWaalsContact O-N 3.15Å; N210-Y223 WeakPolarHBondContact OD1-CD2 3.47Å
211N68.5Low62.2Low81 Ų8176.4 Ų76.443%0.43340%0.397SS..Hα-helixtrans-66.7-44.4175.7-72.7-18.6000111.4A207 F208 A209 Q213 K214 E215A207-N211 WeakPolarHBondContact O-CB 3.43Å; A207-N211 VanDerWaalsContact O-CG 3.25Å; A207-N211 PolarHBondContact O-N 3.26Å; A207-N211 PolarHBondContact O-ND2 3.06Å; F208-N211 PolarHBondContact O-N 3.3Å; A209-N211 VanDerWaalsContact C-N 3.3Å; A209-N211 PolarHBondContact O-N 2.69Å; N211-Q213 VanDerWaalsContact C-N 3.33Å; N211-Q213 PolarHBondContact O-N 3.28Å; N211-K214 WeakPolarHBondContact O-CB 3.17Å; N211-K214 PolarHBondContact O-N 3.33Å; N211-K214 VanDerWaalsContact O-N 3.11Å; N211-E215 WeakPolarHBondContact O-CG 3.35Å; N211-E215 PolarHBondContact O-N 3.03Å
212R63.3Low62.9Low83 Ų8382.4 Ų82.431%0.31342%0.424SS..Hα-helixtrans-61.1-39.8174.8-93.3-158.3164.6154.5-0.1113D168 F208 A209 K214 E215 M216D168-R212 IonicContact OD2-NH1 2.73Å; D168-R212 PolarHBondContact OD2-NH1 2.88Å; F208-R212 HydrophobicContact CE1-CG 4.24Å; F208-R212 HydrophobicContact CZ-CG 4.26Å; F208-R212 PolarHBondContact O-N 3.41Å; A209-R212 PolarHBondContact O-N 2.95Å; R212-K214 VanDerWaalsContact C-N 3.29Å; R212-K214 PolarHBondContact O-N 3.31Å; R212-E215 PolarHBondContact O-N 2.93Å; R212-M216 WeakPolarHBondContact O-CB 3.42Å; R212-M216 VanDerWaalsContact O-CG 3.28Å; R212-M216 WeakPolarHBondContact O-CG 3.39Å; R212-M216 PolarHBondContact O-N 3.13Å
213Q63.1Low63.6Low28 Ų2884.8 Ų84.813%0.13143%0.429CS..Hα-helixtrans-59.4-41.3173.9168-171.57.300112A209 N211 M216 N217 I218 L221 Y223A209-Q213 PolarHBondContact O-N 3.44Å; N211-Q213 VanDerWaalsContact C-N 3.33Å; N211-Q213 PolarHBondContact O-N 3.28Å; Q213-M216 PolarHBondContact O-N 3.38Å; Q213-N217 PolarHBondContact O-N 3.1Å; Q213-I218 HydrophobicContact CG-CB 4.38Å; Q213-I218 VanDerWaalsContact CG-O 3.25Å; Q213-I218 WeakPolarHBondContact CG-O 3.45Å; Q213-I218 PolarHBondContact NE2-O 2.92Å; Q213-I218 PolarHBondContact O-N 2.99Å; Q213-I218 VanDerWaalsContact O-N 3.16Å; Q213-L221 HydrophobicContact CB-CD2 4.48Å; Q213-L221 HydrophobicContact CG-CB 4.27Å; Q213-L221 PolarHBondContact NE2-O 3.38Å; Q213-L221 PolarHBondContact OE1-O 3.33Å; Q213-Y223 HydrophobicContact CB-CE2 3.74Å
214K73.3Confident63.9Low156 Ų15681.2 Ų81.268%0.67841%0.413SS*.Hα-helixtrans-64.7-44.5175.2-70.5172.9-177.1175.10111.3N210 N211 R212 M216 N217N210-K214 WeakPolarHBondContact O-CG 3.14Å; N210-K214 PolarHBondContact O-N 3.19Å; N210-K214 VanDerWaalsContact O-N 3.15Å; N211-K214 WeakPolarHBondContact O-CB 3.17Å; N211-K214 PolarHBondContact O-N 3.33Å; N211-K214 VanDerWaalsContact O-N 3.11Å; R212-K214 VanDerWaalsContact C-N 3.29Å; R212-K214 PolarHBondContact O-N 3.31Å; K214-M216 VanDerWaalsContact C-N 3.32Å; K214-M216 PolarHBondContact O-N 3.3Å; K214-N217 PolarHBondContact O-N 2.84Å
215E69.1Low64.3Low153 Ų15382.1 Ų82.172%0.71542%0.42SS*.Hα-helixtrans-62.5-38.1177.5-71.4172-176.900112.5N211 R212 N217N211-E215 WeakPolarHBondContact O-CG 3.35Å; N211-E215 PolarHBondContact O-N 3.03Å; R212-E215 PolarHBondContact O-N 2.93Å; E215-N217 VanDerWaalsContact C-N 3.34Å
216M64.3Low64.7Low117 Ų11781.6 Ų81.658%0.57641%0.413SS*.THydrogen-bonded Turntrans-86-3.6179.2-64.117973.800113.6R212 Q213 K214 I218R212-M216 WeakPolarHBondContact O-CB 3.42Å; R212-M216 VanDerWaalsContact O-CG 3.28Å; R212-M216 WeakPolarHBondContact O-CG 3.39Å; R212-M216 PolarHBondContact O-N 3.13Å; Q213-M216 PolarHBondContact O-N 3.38Å; K214-M216 VanDerWaalsContact C-N 3.32Å; K214-M216 PolarHBondContact O-N 3.3Å; M216-I218 HydrophobicContact CB-CD1 3.79Å; M216-I218 HydrophobicContact CB-CG1 3.83Å; M216-I218 HydrophobicContact CE-CD1 4.09Å; M216-I218 PolarHBondContact O-N 2.86Å; M216-I218 HydrophobicContact SD-CD1 4.32Å
217N72.2Confident64.8Low137 Ų13782.6 Ų82.673%0.73342%0.422SS*.THydrogen-bonded Turntrans5252-178.2-167.537.9000114Q213 K214 E215 P219Q213-N217 PolarHBondContact O-N 3.1Å; K214-N217 PolarHBondContact O-N 2.84Å; E215-N217 VanDerWaalsContact C-N 3.34Å; N217-P219 WeakPolarHBondContact O-CD 3.13Å
218I65.7Low64.8Low29 Ų2980.8 Ų80.815%0.14941%0.407CS..  trans-106.187.1-179.3-49.4175000109.7Q213 M216 N220 L221Q213-I218 HydrophobicContact CG-CB 4.38Å; Q213-I218 VanDerWaalsContact CG-O 3.25Å; Q213-I218 WeakPolarHBondContact CG-O 3.45Å; Q213-I218 PolarHBondContact NE2-O 2.92Å; Q213-I218 PolarHBondContact O-N 2.99Å; Q213-I218 VanDerWaalsContact O-N 3.16Å; M216-I218 HydrophobicContact CB-CD1 3.79Å; M216-I218 HydrophobicContact CB-CG1 3.83Å; M216-I218 HydrophobicContact CE-CD1 4.09Å; M216-I218 PolarHBondContact O-N 2.86Å; M216-I218 HydrophobicContact SD-CD1 4.32Å; I218-N220 VanDerWaalsContact C-N 3.27Å; I218-N220 PolarHBondContact O-N 2.9Å; I218-L221 HydrophobicContact CB-CB 4.43Å; I218-L221 HydrophobicContact CG2-CB 3.9Å; I218-L221 PolarHBondContact O-N 2.94Å
219P62.5Low64.8Low100 Ų10076.3 Ų76.365%0.64939%0.389SS*.THydrogen-bonded Turntrans-67.8-23.7-169.526.4-35.9000114.2N217N217-P219 WeakPolarHBondContact O-CD 3.13Å
220N66.6Low65.2Low110 Ų11080.1 Ų80.159%0.58841%0.41SS*.THydrogen-bonded Turntrans-98.410.1-172-56.3-21.4000113.5G191 I218G191-N220 WeakPolarHBondContact O-CB 3.26Å; I218-N220 VanDerWaalsContact C-N 3.27Å; I218-N220 PolarHBondContact O-N 2.9Å
221L62.9Low65.2Low17 Ų1779.2 Ų79.29%0.08941%0.413CS..  trans-91140.9174.5-173.157.8000109.9V194 Q213 I218 Y223V194-L221 HydrophobicContact CB-CD1 4.17Å; Q213-L221 HydrophobicContact CB-CD2 4.48Å; Q213-L221 HydrophobicContact CG-CB 4.27Å; Q213-L221 PolarHBondContact NE2-O 3.38Å; Q213-L221 PolarHBondContact OE1-O 3.33Å; I218-L221 HydrophobicContact CB-CB 4.43Å; I218-L221 HydrophobicContact CG2-CB 3.9Å; I218-L221 PolarHBondContact O-N 2.94Å; L221-Y223 HydrophobicContact CD2-CE1 4.19Å; L221-Y223 HydrophobicContact CD2-CE2 3.83Å; L221-Y223 VanDerWaalsContact CD2-CZ 3.46Å; L221-Y223 WeakPolarHBondContact CD2-OH 3.35Å; L221-Y223 HydrophobicContact CG-CE1 4.45Å; L221-Y223 HydrophobicContact CG-CE2 4.08Å
222Q64.3Low65.6Low164 Ų16476.4 Ų76.477%0.76640%0.398SS*.  trans-133125.5174.1-71-174.9-8.700109.2
223Y64.7Low66.4Low80 Ų8074.2 Ų74.231%0.31439%0.394SS..  trans-96.9131.8171.7-61.4-76.1000110A209 N210 Q213 L221A209-Y223 HydrophobicContact CB-CD1 3.66Å; A209-Y223 HydrophobicContact CB-CD2 3.81Å; A209-Y223 HydrophobicContact CB-CE1 3.57Å; A209-Y223 HydrophobicContact CB-CE2 3.68Å; A209-Y223 HydrophobicContact CB-CG 3.77Å; A209-Y223 WeakPolarHBondContact O-CE2 3.45Å; N210-Y223 WeakPolarHBondContact OD1-CD2 3.47Å; Q213-Y223 HydrophobicContact CB-CE2 3.74Å; L221-Y223 HydrophobicContact CD2-CE1 4.19Å; L221-Y223 HydrophobicContact CD2-CE2 3.83Å; L221-Y223 VanDerWaalsContact CD2-CZ 3.46Å; L221-Y223 WeakPolarHBondContact CD2-OH 3.35Å; L221-Y223 HydrophobicContact CG-CE1 4.45Å; L221-Y223 HydrophobicContact CG-CE2 4.08Å
224M61.8Low67.3Low85 Ų8578.9 Ų78.942%0.41942%0.42SS..  trans-129.4134.5178.3-176.1-179.4-67.700109.9C226 P233 W236M224-C226 HydrophobicContact CG-CB 4.42Å; M224-C226 HydrophobicContact SD-CB 4.44Å; M224-P233 HydrophobicContact SD-CG 4.39Å; M224-W236 HydrophobicContact CE-CH2 3.73Å; M224-W236 HydrophobicContact CE-CZ2 3.42Å; M224-W236 VanDerWaalsContact CE-CZ2 3.42Å; M224-W236 HydrophobicContact SD-CH2 3.88Å; M224-W236 HydrophobicContact SD-CZ2 4.05Å
225L61.5Low67.9Low93 Ų9376.9 Ų76.949%0.48742%0.417SS..  trans-81.2111.7166.7-179.461.3000108.9I201 I206I201-L225 HydrophobicContact CB-CD1 3.51Å; I201-L225 HydrophobicContact CD1-CD1 4.49Å; I201-L225 HydrophobicContact CG2-CD1 4.06Å; I201-L225 WeakPolarHBondContact O-CD1 3.34Å; I206-L225 HydrophobicContact CG1-CB 4.2Å
226C60.9Low68.8Low36 Ų3671.5 Ų71.524%0.24339%0.39CS..  trans-146.6146.7174.771.50000112.6M224 A228M224-C226 HydrophobicContact CG-CB 4.42Å; M224-C226 HydrophobicContact SD-CB 4.44Å; C226-A228 PolarHBondContact O-N 3.19Å
227C62.5Low69.9Low48 Ų4869.1 Ų69.132%0.32438%0.382SS..  trans-73.8113.1165.4175.10000109A229 T230 G231C227-A229 PolarHBondContact O-N 2.96Å; C227-T230 PolarHBondContact O-N 3.37Å; C227-T230 PolarHBondContact SG-OG1 2.87Å; C227-G231 VanDerWaalsContact O-CA 3.28Å; C227-G231 WeakPolarHBondContact O-CA 3.09Å; C227-G231 PolarHBondContact O-N 3.46Å
228A64.8Low70.8Confident7 Ų768 Ų686%0.05837%0.373CS..THydrogen-bonded Turntrans-62.3-20.8-179.100000114.1V198 C226 V258 Q261V198-A228 HydrophobicContact CB-CB 3.9Å; V198-A228 HydrophobicContact CG1-CB 3.85Å; V198-A228 HydrophobicContact CG2-CB 3.29Å; C226-A228 PolarHBondContact O-N 3.19Å; A228-V258 HydrophobicContact CB-CB 4.37Å; A228-V258 HydrophobicContact CB-CG1 3.88Å; A228-V258 HydrophobicContact CB-CG2 3.78Å; A228-Q261 VanDerWaalsContact O-CB 3.31Å; A228-Q261 WeakPolarHBondContact O-CB 3.33Å; A228-Q261 WeakPolarHBondContact O-CG 3.42Å
229A61.4Low71.7Confident8 Ų870.9 Ų70.97%0.06638%0.384CS..THydrogen-bonded Turntrans-79.5-28.1179.500000113.2C227 K257 V258C227-A229 PolarHBondContact O-N 2.96Å; A229-K257 HydrophobicContact CB-CB 4.01Å; A229-V258 HydrophobicContact CB-CG2 4.03Å
230T68.3Low72.7Confident97 Ų9766.6 Ų66.660%0.59536%0.356SS*.THydrogen-bonded Turntrans-143-21.5-169.7570000115.5C227C227-T230 PolarHBondContact O-N 3.37Å; C227-T230 PolarHBondContact SG-OG1 2.87Å
231G68.2Low73.1Confident34 Ų3466.3 Ų66.335%0.35135%0.354SS..  trans-100.28.2-171.200000115.2C227 P233C227-G231 VanDerWaalsContact O-CA 3.28Å; C227-G231 WeakPolarHBondContact O-CA 3.09Å; C227-G231 PolarHBondContact O-N 3.46Å; G231-P233 WeakPolarHBondContact O-CD 3.13Å
232I75.3Confident73.6Confident22 Ų2268.9 Ų68.911%0.11337%0.365CS..SBendtrans-74.3123171.6-56.8-164000108.6W236 Q261 R264 V265I232-W236 HydrophobicContact CG2-CB 4.36Å; I232-W236 HydrophobicContact CG2-CD2 4.49Å; I232-W236 HydrophobicContact CG2-CE3 3.85Å; I232-Q261 HydrophobicContact CD1-CB 3.91Å; I232-Q261 HydrophobicContact CG1-CB 4.47Å; I232-R264 PolarHBondContact O-NH2 2.9Å; I232-V265 HydrophobicContact CG2-CG1 3.62Å
233P80Confident73.9Confident37 Ų3761.6 Ų61.624%0.2433%0.331CS..  trans-55.6143.2-177.7-26.835.3000113.2M224 G231 D235 W236 R264M224-P233 HydrophobicContact SD-CG 4.39Å; G231-P233 WeakPolarHBondContact O-CD 3.13Å; P233-D235 VanDerWaalsContact C-N 3.3Å; P233-D235 WeakPolarHBondContact CB-OD1 3.28Å; P233-D235 PolarHBondContact O-N 3.49Å; P233-W236 HydrophobicContact CB-CD2 4.44Å; P233-W236 HydrophobicContact CB-CG 4.13Å; P233-W236 HydrophobicContact CG-CD2 4.22Å; P233-W236 HydrophobicContact CG-CG 4.43Å; P233-W236 WeakPolarHBondContact O-CB 3.2Å; P233-W236 PolarHBondContact O-N 2.83Å; P233-R264 PolarHBondContact O-NH2 3.4Å
234N82.9Confident74Confident126 Ų12658.4 Ų58.467%0.67432%0.32SS*.G310 helixtrans-68.2-30-176.7-72.5-23.3000113.3W236 T237 R264N234-W236 PolarHBondContact O-N 2.8Å; N234-T237 PolarHBondContact O-N 3.44Å; N234-T237 PolarHBondContact O-OG1 3.3Å; N234-R264 PolarHBondContact OD1-NH1 3.25Å
235D86.3Confident74.2Confident115 Ų11554.8 Ų54.862%0.61530%0.303SS*.G310 helixtrans-70.8-2.9176.367.1-56.1000113.3P233 T237 K239P233-D235 VanDerWaalsContact C-N 3.3Å; P233-D235 WeakPolarHBondContact CB-OD1 3.28Å; P233-D235 PolarHBondContact O-N 3.49Å; D235-T237 VanDerWaalsContact C-N 3.32Å; D235-K239 IonicContact OD2-NZ 3.75Å
236W86.8Confident74.2Confident39 Ų3950.8 Ų50.815%0.14828%0.282CS..G310 helixtrans-88.70.7174.7-71.121.2000113.7M224 I232 P233 N234 E238 K239 F240 V265M224-W236 HydrophobicContact CE-CH2 3.73Å; M224-W236 HydrophobicContact CE-CZ2 3.42Å; M224-W236 VanDerWaalsContact CE-CZ2 3.42Å; M224-W236 HydrophobicContact SD-CH2 3.88Å; M224-W236 HydrophobicContact SD-CZ2 4.05Å; I232-W236 HydrophobicContact CG2-CB 4.36Å; I232-W236 HydrophobicContact CG2-CD2 4.49Å; I232-W236 HydrophobicContact CG2-CE3 3.85Å; P233-W236 HydrophobicContact CB-CD2 4.44Å; P233-W236 HydrophobicContact CB-CG 4.13Å; P233-W236 HydrophobicContact CG-CD2 4.22Å; P233-W236 HydrophobicContact CG-CG 4.43Å; P233-W236 WeakPolarHBondContact O-CB 3.2Å; P233-W236 PolarHBondContact O-N 2.83Å; N234-W236 PolarHBondContact O-N 2.8Å; W236-E238 PolarHBondContact O-N 2.83Å; W236-K239 HydrophobicContact CB-CB 4.45Å; W236-K239 HydrophobicContact CB-CD 4.23Å; W236-K239 HydrophobicContact CG-CD 3.98Å; W236-K239 WeakPolarHBondContact O-CB 3.42Å; W236-K239 PolarHBondContact O-N 2.81Å; W236-K239 VanDerWaalsContact O-N 3.16Å; W236-F240 HydrophobicContact CB-CE2 4.15Å; W236-F240 HydrophobicContact CB-CZ 4.38Å; W236-F240 HydrophobicContact CD2-CE2 4.07Å; W236-F240 AromaticContact CD2-CZ 3.64Å; W236-F240 HydrophobicContact CD2-CZ 3.64Å; W236-F240 AromaticContact CE3-CE2 3.52Å; W236-F240 HydrophobicContact CE3-CE2 3.52Å; W236-F240 AromaticContact CE3-CZ 3.27Å; W236-F240 HydrophobicContact CE3-CZ 3.27Å; W236-F240 HydrophobicContact CG-CE2 4.39Å; W236-F240 HydrophobicContact CG-CZ 4.17Å; W236-F240 HydrophobicContact CH2-CZ 4.31Å; W236-F240 HydrophobicContact CZ3-CE2 4.14Å; W236-F240 AromaticContact CZ3-CZ 3.64Å; W236-F240 HydrophobicContact CZ3-CZ 3.64Å; W236-V265 HydrophobicContact CB-CB 4.38Å; W236-V265 HydrophobicContact CB-CG1 3.77Å; W236-V265 VanDerWaalsContact O-CA 3.24Å; W236-V265 WeakPolarHBondContact O-CA 3.41Å; W236-V265 WeakPolarHBondContact O-CB 3.22Å; W236-V265 WeakPolarHBondContact O-CG1 3.41Å
237T88.6Confident74.2Confident67 Ų6750.6 Ų50.641%0.41128%0.279SS..THydrogen-bonded Turntrans-54.1127.7175.6-580000110N234 D235 K239 R264N234-T237 PolarHBondContact O-N 3.44Å; N234-T237 PolarHBondContact O-OG1 3.3Å; D235-T237 VanDerWaalsContact C-N 3.32Å; T237-K239 PolarHBondContact O-N 2.86Å; T237-R264 WeakPolarHBondContact CA-O 3.2Å; T237-R264 HydrophobicContact CG2-CG 4.15Å
238E90Very high74Confident114 Ų11448.9 Ų48.953%0.53327%0.266SS..THydrogen-bonded Turntrans51.536.5-177.9-58.4178.8-174.900114.6W236 R264 V265 K267W236-E238 PolarHBondContact O-N 2.83Å; E238-R264 PolarHBondContact N-O 2.68Å; E238-V265 CarbonylContact C-O 3.49Å; E238-K267 HydrophobicContact CB-CG 4.43Å; E238-K267 WeakPolarHBondContact O-CG 3.49Å
239K86.2Confident73.9Confident89 Ų8949.4 Ų49.439%0.38727%0.268SS..  trans-92.7-28.3-176.4-168.5166.2-177.3172.70113.9D235 W236 T237 V265 K267D235-K239 IonicContact OD2-NZ 3.75Å; W236-K239 HydrophobicContact CB-CB 4.45Å; W236-K239 HydrophobicContact CB-CD 4.23Å; W236-K239 HydrophobicContact CG-CD 3.98Å; W236-K239 WeakPolarHBondContact O-CB 3.42Å; W236-K239 PolarHBondContact O-N 2.81Å; W236-K239 VanDerWaalsContact O-N 3.16Å; T237-K239 PolarHBondContact O-N 2.86Å; K239-V265 PolarHBondContact N-O 3.46Å; K239-K267 WeakPolarHBondContact O-CE 3.45Å
240F82.1Confident74Confident11 Ų1153.4 Ų53.45%0.04829%0.285CS..EExtended strand (participates in β ladder)trans-107.6134.4-170.8-50.7-66.1000112.7Y193 W236 I243 V265 K267Y193-F240 AromaticContact CD1-CD1 3.84Å; Y193-F240 HydrophobicContact CD1-CD1 3.84Å; Y193-F240 HydrophobicContact CD1-CE1 4.02Å; Y193-F240 AromaticContact CE1-CD1 3.27Å; Y193-F240 HydrophobicContact CE1-CD1 3.27Å; Y193-F240 AromaticContact CE1-CE1 3.05Å; Y193-F240 HydrophobicContact CE1-CE1 3.05Å; Y193-F240 HydrophobicContact CE1-CG 4.47Å; Y193-F240 HydrophobicContact CE1-CZ 4.09Å; Y193-F240 HydrophobicContact CE2-CD1 4.03Å; Y193-F240 HydrophobicContact CE2-CE1 4.27Å; Y193-F240 HydrophobicContact CG-CD1 4.48Å; Y193-F240 AromaticContact CZ-CD1 3.4Å; Y193-F240 VanDerWaalsContact CZ-CD1 3.4Å; Y193-F240 AromaticContact CZ-CE1 3.24Å; Y193-F240 WeakPolarHBondContact OH-CE1 3.2Å; W236-F240 HydrophobicContact CB-CE2 4.15Å; W236-F240 HydrophobicContact CB-CZ 4.38Å; W236-F240 HydrophobicContact CD2-CE2 4.07Å; W236-F240 AromaticContact CD2-CZ 3.64Å; W236-F240 HydrophobicContact CD2-CZ 3.64Å; W236-F240 AromaticContact CE3-CE2 3.52Å; W236-F240 HydrophobicContact CE3-CE2 3.52Å; W236-F240 AromaticContact CE3-CZ 3.27Å; W236-F240 HydrophobicContact CE3-CZ 3.27Å; W236-F240 HydrophobicContact CG-CE2 4.39Å; W236-F240 HydrophobicContact CG-CZ 4.17Å; W236-F240 HydrophobicContact CH2-CZ 4.31Å; W236-F240 HydrophobicContact CZ3-CE2 4.14Å; W236-F240 AromaticContact CZ3-CZ 3.64Å; W236-F240 HydrophobicContact CZ3-CZ 3.64Å; F240-I243 HydrophobicContact CB-CG1 4.02Å; F240-I243 HydrophobicContact CD2-CG1 4.48Å; F240-V265 HydrophobicContact CD2-CB 3.63Å; F240-V265 HydrophobicContact CD2-CG2 3.58Å; F240-V265 WeakPolarHBondContact CD2-O 3.35Å; F240-V265 HydrophobicContact CE2-CB 3.67Å; F240-V265 HydrophobicContact CE2-CG1 4.39Å; F240-V265 HydrophobicContact CE2-CG2 3.77Å; F240-V265 PolarHBondContact N-O 3.42Å; F240-K267 PolarHBondContact O-N 2.77Å
241D75.9Confident73.5Confident104 Ų10452.6 Ų52.656%0.55628%0.278SS*.EExtended strand (participates in β ladder)trans-80.1-27.3172.3-56-82.1000112K267 G270 L271D241-K267 WeakPolarHBondContact OD1-CD 3.36Å; D241-K267 IonicContact OD1-NZ 2.91Å; D241-K267 PolarHBondContact OD1-NZ 3.02Å; D241-K267 IonicContact OD2-NZ 3.93Å; D241-K267 PolarHBondContact OD2-NZ 2.93Å; D241-G270 CarbonylContact O-C 3.5Å; D241-G270 VanDerWaalsContact O-CA 3.24Å; D241-G270 WeakPolarHBondContact O-CA 3.15Å; D241-L271 PolarHBondContact O-N 3.29Å
242F73Confident73.1Confident70 Ų7052.2 Ų52.231%0.30727%0.267SS..EExtended strand (participates in β ladder)trans-139.8134.5179.1-176.4-109000111T244 L271F242-T244 HydrophobicContact CE1-CG2 4.47Å; F242-L271 CarbonylContact C-O 3.47Å; F242-L271 VanDerWaalsContact CA-O 3.25Å; F242-L271 WeakPolarHBondContact CA-O 3.32Å; F242-L271 HydrophobicContact CD2-CB 3.75Å; F242-L271 HydrophobicContact CE2-CB 4.3Å
243I70.8Confident72.3Confident12 Ų1254.8 Ų54.86%0.06229%0.291CS..EExtended strand (participates in β ladder)trans-125.7138.5171.6-61.9170000108.5F240 M262 V265 L266 L271 F272 S273F240-I243 HydrophobicContact CB-CG1 4.02Å; F240-I243 HydrophobicContact CD2-CG1 4.48Å; I243-M262 HydrophobicContact CD1-CB 4.4Å; I243-M262 WeakPolarHBondContact CD1-O 3.46Å; I243-M262 HydrophobicContact CG2-CE 3.6Å; I243-M262 HydrophobicContact CG2-CG 4.37Å; I243-V265 HydrophobicContact CD1-CG2 3.6Å; I243-L266 HydrophobicContact CB-CD1 4.32Å; I243-L266 HydrophobicContact CD1-CB 3.78Å; I243-L266 HydrophobicContact CD1-CD1 3.7Å; I243-L266 HydrophobicContact CD1-CG 4.3Å; I243-L266 HydrophobicContact CG1-CD1 3.73Å; I243-L271 PolarHBondContact N-O 3.16Å; I243-F272 HydrophobicContact CB-CB 4.24Å; I243-F272 CarbonylContact O-C 3.56Å; I243-F272 WeakPolarHBondContact O-CA 3.35Å; I243-F272 WeakPolarHBondContact O-CB 3.46Å; I243-S273 PolarHBondContact O-N 3.47Å
244T65.8Low71.7Confident13 Ų1358.6 Ų58.68%0.0830%0.302CS..EExtended strand (participates in β ladder)trans-130142.1174-138.50000109.7F242 F246 S273F242-T244 HydrophobicContact CE1-CG2 4.47Å; T244-F246 HydrophobicContact CG2-CD2 3.56Å; T244-F246 HydrophobicContact CG2-CE1 4.45Å; T244-F246 HydrophobicContact CG2-CE2 2.91Å; T244-F246 HydrophobicContact CG2-CZ 3.42Å; T244-F246 VanDerWaalsContact CG2-CZ 3.42Å; T244-S273 CarbonylContact C-O 3.56Å; T244-S273 WeakPolarHBondContact CA-O 3.31Å; T244-S273 WeakPolarHBondContact OG1-CB 3.27Å; T244-S273 PolarHBondContact OG1-O 2.81Å
245A66.3Low71Confident9 Ų955.2 Ų55.27%0.07429%0.286CS..EExtended strand (participates in β ladder)trans-127.3131176.300000109.3I249 M262 S273 I274 V275A245-I249 HydrophobicContact CB-CD1 4.13Å; A245-I249 HydrophobicContact CB-CG1 4.36Å; A245-M262 HydrophobicContact CB-CE 3.75Å; A245-M262 HydrophobicContact CB-SD 4.4Å; A245-S273 PolarHBondContact N-O 3.28Å; A245-I274 HydrophobicContact CB-CG1 4.49Å; A245-I274 WeakPolarHBondContact O-CA 3.37Å; A245-V275 PolarHBondContact O-N 3.04Å
246F62.6Low70.3Confident8 Ų852.7 Ų52.74%0.03528%0.282CS..EExtended strand (participates in β ladder)trans-125.2108.7-175.9-61.5-87000112I171 L175 K196 T244 V248 V275I171-F246 HydrophobicContact CB-CD1 4.24Å; I171-F246 HydrophobicContact CB-CE1 4.18Å; I171-F246 HydrophobicContact CD1-CB 3.81Å; I171-F246 HydrophobicContact CD1-CD1 3.49Å; I171-F246 VanDerWaalsContact CD1-CD1 3.49Å; I171-F246 HydrophobicContact CD1-CE1 4.29Å; I171-F246 HydrophobicContact CD1-CG 3.87Å; I171-F246 HydrophobicContact CG1-CD1 3.87Å; I171-F246 HydrophobicContact CG1-CE1 4.24Å; I171-F246 HydrophobicContact CG2-CD1 3.42Å; I171-F246 VanDerWaalsContact CG2-CD1 3.42Å; I171-F246 HydrophobicContact CG2-CE1 2.98Å; I171-F246 HydrophobicContact CG2-CE2 4.02Å; I171-F246 HydrophobicContact CG2-CG 4.21Å; I171-F246 HydrophobicContact CG2-CZ 3.26Å; L175-F246 HydrophobicContact CD1-CE1 4.29Å; L175-F246 HydrophobicContact CD2-CE1 4.42Å; L175-F246 HydrophobicContact CD2-CZ 4.11Å; K196-F246 HydrophobicContact CD-CB 4.41Å; K196-F246 HydrophobicContact CD-CD2 3.6Å; K196-F246 HydrophobicContact CD-CE2 3.86Å; K196-F246 HydrophobicContact CD-CG 4.2Å; K196-F246 HydrophobicContact CG-CB 4.27Å; K196-F246 HydrophobicContact CG-CD2 3.23Å; K196-F246 HydrophobicContact CG-CE2 3.7Å; K196-F246 HydrophobicContact CG-CG 4.12Å; T244-F246 HydrophobicContact CG2-CD2 3.56Å; T244-F246 HydrophobicContact CG2-CE1 4.45Å; T244-F246 HydrophobicContact CG2-CE2 2.91Å; T244-F246 HydrophobicContact CG2-CZ 3.42Å; T244-F246 VanDerWaalsContact CG2-CZ 3.42Å; F246-V248 WeakPolarHBondContact O-CG2 3.42Å; F246-V248 PolarHBondContact O-N 2.99Å; F246-V275 CarbonylContact C-O 3.5Å; F246-V275 WeakPolarHBondContact CA-O 3.48Å; F246-V275 HydrophobicContact CD1-CB 3.46Å; F246-V275 VanDerWaalsContact CD1-CB 3.46Å; F246-V275 HydrophobicContact CD1-CG1 4Å; F246-V275 HydrophobicContact CD1-CG2 3.62Å; F246-V275 HydrophobicContact CE1-CB 3.93Å; F246-V275 HydrophobicContact CE1-CG2 3.51Å; F246-V275 HydrophobicContact CG-CB 4.39Å
247D60.8Low69.6Low33 Ų3355.7 Ų55.718%0.17630%0.296CS..SBendtrans52.633.5-179.2-49.1-46.9000112.8R197 V275R197-D247 IonicContact NH2-OD2 2.88Å; D247-V275 PolarHBondContact N-O 3.29Å
248V58.6Low68.8Low11 Ų1152.7 Ų52.77%0.06728%0.277CS..  trans-103.8-37.1-173-171.50000111.5V198 F246 Q252V198-V248 HydrophobicContact CB-CG1 3.6Å; V198-V248 HydrophobicContact CG2-CG1 4.31Å; V198-V248 WeakPolarHBondContact O-CG1 3.17Å; F246-V248 WeakPolarHBondContact O-CG2 3.42Å; F246-V248 PolarHBondContact O-N 2.99Å; V248-Q252 VanDerWaalsContact O-CG 3.24Å; V248-Q252 WeakPolarHBondContact O-CG 3.43Å; V248-Q252 PolarHBondContact O-NE2 3.27Å
249I61.8Low68.2Low18 Ų1849.8 Ų49.89%0.09227%0.265CS..SBendtrans-74.2-44.8-161.5-65.8171000111.1A245 D251 Q252 P255 L259 M262 I274A245-I249 HydrophobicContact CB-CD1 4.13Å; A245-I249 HydrophobicContact CB-CG1 4.36Å; I249-D251 PolarHBondContact O-N 2.83Å; I249-Q252 PolarHBondContact O-N 3.4Å; I249-P255 HydrophobicContact CG2-CB 3.88Å; I249-P255 WeakPolarHBondContact O-CB 3.3Å; I249-L259 HydrophobicContact CD1-CD2 3.86Å; I249-M262 HydrophobicContact CD1-SD 4.34Å; I249-I274 HydrophobicContact CD1-CB 4.41Å; I249-I274 HydrophobicContact CD1-CD1 3.4Å; I249-I274 VanDerWaalsContact CD1-CD1 3.4Å; I249-I274 HydrophobicContact CD1-CG1 3.64Å; I249-I274 HydrophobicContact CD1-CG2 3.88Å
250H63.4Low68Low92 Ų9253 Ų5343%0.42628%0.279SS..THydrogen-bonded Turntrans-64.8-27.3-179.363.8-93.1000113.6Q252 D276H250-Q252 VanDerWaalsContact C-N 3.35Å; H250-D276 IonicContact CE1-OD1 3.38Å; H250-D276 PolarHBondContact CE1-OD1 3.35Å; H250-D276 IonicContact CG-OD1 2.76Å; H250-D276 VanDerWaalsContact ND1-CG 3.34Å; H250-D276 IonicContact ND1-OD1 3.57Å; H250-D276 PolarHBondContact ND1-OD1 2.77Å; H250-D276 IonicContact ND1-OD2 2.82Å; H250-D276 PolarHBondContact ND1-OD2 3.15Å
251D58.2Low67.9Low81 Ų8154.3 Ų54.343%0.43329%0.285SS..THydrogen-bonded Turntrans-81.2-10.5179.1-83-8.9000113.9N199 I249N199-D251 PolarHBondContact ND2-OD2 2.79Å; I249-D251 PolarHBondContact O-N 2.83Å
252Q60.2Low68.1Low26 Ų2650.3 Ų50.312%0.12126%0.263CS..  trans-73.1139.8-178-59.6-53.5-65.600111.7V198 V248 I249 H250 Y254 P255 V258V198-Q252 PolarHBondContact O-NE2 3.34Å; V248-Q252 VanDerWaalsContact O-CG 3.24Å; V248-Q252 WeakPolarHBondContact O-CG 3.43Å; V248-Q252 PolarHBondContact O-NE2 3.27Å; I249-Q252 PolarHBondContact O-N 3.4Å; H250-Q252 VanDerWaalsContact C-N 3.35Å; Q252-Y254 PolarHBondContact O-N 3.12Å; Q252-P255 WeakPolarHBondContact O-CD 3.44Å; Q252-V258 HydrophobicContact CB-CG2 4.24Å; Q252-V258 HydrophobicContact CG-CB 4.35Å; Q252-V258 HydrophobicContact CG-CG2 3.71Å
253A59Low68.7Low76 Ų7652.3 Ų52.363%0.62827%0.272SS*.SBendtrans-60.1-2516600000112.6
254Y66.9Low69.5Low117 Ų11754.6 Ų54.646%0.45928%0.28SS..  trans-138.967.8-177-52.3-71.8000111.9Q252 A256 K257 V258Q252-Y254 PolarHBondContact O-N 3.12Å; Y254-A256 VanDerWaalsContact C-N 3.26Å; Y254-A256 PolarHBondContact O-N 3.4Å; Y254-K257 HydrophobicContact CD1-CD 4.49Å; Y254-K257 HydrophobicContact CG-CD 4.09Å; Y254-K257 WeakPolarHBondContact O-CB 3.42Å; Y254-K257 PolarHBondContact O-N 2.88Å; Y254-V258 PolarHBondContact O-N 3.15Å; Y254-V258 VanDerWaalsContact O-N 3.13Å
255P67.4Low70.4Confident54 Ų5454.2 Ų54.235%0.35128%0.278SS..Hα-helixtrans-58.2-39.9-174.823.2-32.9000112I249 Q252 K257 V258 L259I249-P255 HydrophobicContact CG2-CB 3.88Å; I249-P255 WeakPolarHBondContact O-CB 3.3Å; Q252-P255 WeakPolarHBondContact O-CD 3.44Å; P255-K257 VanDerWaalsContact C-N 3.29Å; P255-K257 PolarHBondContact O-N 3.3Å; P255-V258 PolarHBondContact O-N 3.37Å; P255-V258 VanDerWaalsContact O-N 3.17Å; P255-L259 PolarHBondContact O-N 3.45Å
256A72.4Confident71.2Confident63 Ų6354.6 Ų54.652%0.52128%0.278SS..Hα-helixtrans-62.4-33.1176.700000113.3Y254 K260Y254-A256 VanDerWaalsContact C-N 3.26Å; Y254-A256 PolarHBondContact O-N 3.4Å; A256-K260 VanDerWaalsContact O-CG 3.32Å; A256-K260 WeakPolarHBondContact O-CG 3.4Å; A256-K260 PolarHBondContact O-N 3.28Å
257K72.4Confident72.3Confident102 Ų10257.6 Ų57.644%0.44329%0.292SS..Hα-helixtrans-72.1-40.6174.9-70.4-173.6-179.6178.20110.8A229 Y254 P255 K260 Q261A229-K257 HydrophobicContact CB-CB 4.01Å; Y254-K257 HydrophobicContact CD1-CD 4.49Å; Y254-K257 HydrophobicContact CG-CD 4.09Å; Y254-K257 WeakPolarHBondContact O-CB 3.42Å; Y254-K257 PolarHBondContact O-N 2.88Å; P255-K257 VanDerWaalsContact C-N 3.29Å; P255-K257 PolarHBondContact O-N 3.3Å; K257-K260 PolarHBondContact O-N 2.69Å; K257-Q261 VanDerWaalsContact O-CG 3.29Å; K257-Q261 WeakPolarHBondContact O-CG 3.34Å; K257-Q261 PolarHBondContact O-N 3.48Å
258V70.6Confident73.3Confident4 Ų461 Ų612%0.02432%0.315CS..Hα-helixtrans-61.5-47.1176.3171.10000111.3A228 A229 Q252 Y254 P255 K260 Q261 M262A228-V258 HydrophobicContact CB-CB 4.37Å; A228-V258 HydrophobicContact CB-CG1 3.88Å; A228-V258 HydrophobicContact CB-CG2 3.78Å; A229-V258 HydrophobicContact CB-CG2 4.03Å; Q252-V258 HydrophobicContact CB-CG2 4.24Å; Q252-V258 HydrophobicContact CG-CB 4.35Å; Q252-V258 HydrophobicContact CG-CG2 3.71Å; Y254-V258 PolarHBondContact O-N 3.15Å; Y254-V258 VanDerWaalsContact O-N 3.13Å; P255-V258 PolarHBondContact O-N 3.37Å; P255-V258 VanDerWaalsContact O-N 3.17Å; V258-K260 VanDerWaalsContact C-N 3.34Å; V258-K260 PolarHBondContact O-N 3.14Å; V258-Q261 WeakPolarHBondContact O-CB 3.42Å; V258-Q261 PolarHBondContact O-N 2.97Å; V258-Q261 VanDerWaalsContact O-N 3.08Å; V258-M262 HydrophobicContact CG1-CG 4.45Å; V258-M262 HydrophobicContact CG1-SD 4.08Å; V258-M262 WeakPolarHBondContact O-CG 3.49Å; V258-M262 PolarHBondContact O-N 3.47Å
259L77.1Confident74.3Confident53 Ų5364.5 Ų64.528%0.27735%0.353SS..Hα-helixtrans-57.5-46175.1-75172.2000111.9I249 P255 Q261 M262 F263 I274I249-L259 HydrophobicContact CD1-CD2 3.86Å; P255-L259 PolarHBondContact O-N 3.45Å; L259-Q261 VanDerWaalsContact C-N 3.26Å; L259-Q261 PolarHBondContact O-N 3.15Å; L259-M262 HydrophobicContact CD2-SD 4.32Å; L259-M262 PolarHBondContact O-N 2.94Å; L259-F263 WeakPolarHBondContact O-CD2 3.17Å; L259-F263 PolarHBondContact O-N 3.14Å; L259-I274 HydrophobicContact CD2-CD1 4.1Å
260K82.5Confident74.7Confident156 Ų15664.6 Ų64.668%0.67836%0.359SS*.Hα-helixtrans-57.6-39.8175.4-77177.5-179.9-173.50112.5A256 K257 V258 R264A256-K260 VanDerWaalsContact O-CG 3.32Å; A256-K260 WeakPolarHBondContact O-CG 3.4Å; A256-K260 PolarHBondContact O-N 3.28Å; K257-K260 PolarHBondContact O-N 2.69Å; V258-K260 VanDerWaalsContact C-N 3.34Å; V258-K260 PolarHBondContact O-N 3.14Å; K260-R264 WeakPolarHBondContact O-CB 3.18Å; K260-R264 PolarHBondContact O-N 3.37Å
261Q80.8Confident74.9Confident38 Ų3866 Ų6618%0.17837%0.369CS..Hα-helixtrans-68.5-41.1177.7-71.7-66-19.900112.1A228 I232 K257 V258 L259 R264 V265A228-Q261 VanDerWaalsContact O-CB 3.31Å; A228-Q261 WeakPolarHBondContact O-CB 3.33Å; A228-Q261 WeakPolarHBondContact O-CG 3.42Å; I232-Q261 HydrophobicContact CD1-CB 3.91Å; I232-Q261 HydrophobicContact CG1-CB 4.47Å; K257-Q261 VanDerWaalsContact O-CG 3.29Å; K257-Q261 WeakPolarHBondContact O-CG 3.34Å; K257-Q261 PolarHBondContact O-N 3.48Å; V258-Q261 WeakPolarHBondContact O-CB 3.42Å; V258-Q261 PolarHBondContact O-N 2.97Å; V258-Q261 VanDerWaalsContact O-N 3.08Å; L259-Q261 VanDerWaalsContact C-N 3.26Å; L259-Q261 PolarHBondContact O-N 3.15Å; Q261-R264 WeakPolarHBondContact O-CB 3.26Å; Q261-R264 PolarHBondContact O-N 2.89Å; Q261-V265 WeakPolarHBondContact O-CG2 3.47Å; Q261-V265 PolarHBondContact O-N 3.47Å
262M80.4Confident75.4Confident20 Ų2064.6 Ų64.610%0.09936%0.359CS..Hα-helixtrans-60.1-48.1173.6-67.5170.370.600111.4I243 A245 I249 V258 L259 R264 V265 L266I243-M262 HydrophobicContact CD1-CB 4.4Å; I243-M262 WeakPolarHBondContact CD1-O 3.46Å; I243-M262 HydrophobicContact CG2-CE 3.6Å; I243-M262 HydrophobicContact CG2-CG 4.37Å; A245-M262 HydrophobicContact CB-CE 3.75Å; A245-M262 HydrophobicContact CB-SD 4.4Å; I249-M262 HydrophobicContact CD1-SD 4.34Å; V258-M262 HydrophobicContact CG1-CG 4.45Å; V258-M262 HydrophobicContact CG1-SD 4.08Å; V258-M262 WeakPolarHBondContact O-CG 3.49Å; V258-M262 PolarHBondContact O-N 3.47Å; L259-M262 HydrophobicContact CD2-SD 4.32Å; L259-M262 PolarHBondContact O-N 2.94Å; M262-R264 VanDerWaalsContact C-N 3.31Å; M262-R264 PolarHBondContact O-N 3.32Å; M262-V265 WeakPolarHBondContact O-CG2 3.27Å; M262-V265 PolarHBondContact O-N 3.44Å; M262-L266 PolarHBondContact O-N 2.84Å
263F83.9Confident75.5Confident112 Ų11264.8 Ų64.849%0.49136%0.363SS..Hα-helixtrans-60.8-40176.6-82.6-68.2000112.6L259 V265 L266 F272L259-F263 WeakPolarHBondContact O-CD2 3.17Å; L259-F263 PolarHBondContact O-N 3.14Å; F263-V265 VanDerWaalsContact C-N 3.28Å; F263-V265 PolarHBondContact O-N 3.01Å; F263-L266 PolarHBondContact O-N 2.85Å; F263-F272 HydrophobicContact CE1-CD1 4.32Å; F263-F272 AromaticContact CE1-CE1 3.73Å; F263-F272 HydrophobicContact CE1-CE1 3.73Å; F263-F272 HydrophobicContact CE1-CZ 4.33Å; F263-F272 AromaticContact CZ-CE1 3.68Å; F263-F272 HydrophobicContact CZ-CE1 3.68Å; F263-F272 AromaticContact CZ-CZ 3.8Å; F263-F272 HydrophobicContact CZ-CZ 3.8Å
264R87.9Confident75.9Confident60 Ų6064.3 Ų64.323%0.22635%0.349CS..Hα-helixtrans-59.3-39.7178.7-179.2-177.770139.11.4112.5I232 P233 N234 T237 E238 K260 Q261 M262I232-R264 PolarHBondContact O-NH2 2.9Å; P233-R264 PolarHBondContact O-NH2 3.4Å; N234-R264 PolarHBondContact OD1-NH1 3.25Å; T237-R264 WeakPolarHBondContact CA-O 3.2Å; T237-R264 HydrophobicContact CG2-CG 4.15Å; E238-R264 PolarHBondContact N-O 2.68Å; K260-R264 WeakPolarHBondContact O-CB 3.18Å; K260-R264 PolarHBondContact O-N 3.37Å; Q261-R264 WeakPolarHBondContact O-CB 3.26Å; Q261-R264 PolarHBondContact O-N 2.89Å; M262-R264 VanDerWaalsContact C-N 3.31Å; M262-R264 PolarHBondContact O-N 3.32Å
265V85.4Confident75.6Confident5 Ų560.9 Ų60.93%0.0334%0.341CS..Hα-helixtrans-89.6-9.5-175-58.70000113.8I232 W236 E238 K239 F240 I243 Q261 M262 F263I232-V265 HydrophobicContact CG2-CG1 3.62Å; W236-V265 HydrophobicContact CB-CB 4.38Å; W236-V265 HydrophobicContact CB-CG1 3.77Å; W236-V265 VanDerWaalsContact O-CA 3.24Å; W236-V265 WeakPolarHBondContact O-CA 3.41Å; W236-V265 WeakPolarHBondContact O-CB 3.22Å; W236-V265 WeakPolarHBondContact O-CG1 3.41Å; E238-V265 CarbonylContact C-O 3.49Å; K239-V265 PolarHBondContact N-O 3.46Å; F240-V265 HydrophobicContact CD2-CB 3.63Å; F240-V265 HydrophobicContact CD2-CG2 3.58Å; F240-V265 WeakPolarHBondContact CD2-O 3.35Å; F240-V265 HydrophobicContact CE2-CB 3.67Å; F240-V265 HydrophobicContact CE2-CG1 4.39Å; F240-V265 HydrophobicContact CE2-CG2 3.77Å; F240-V265 PolarHBondContact N-O 3.42Å; I243-V265 HydrophobicContact CD1-CG2 3.6Å; Q261-V265 WeakPolarHBondContact O-CG2 3.47Å; Q261-V265 PolarHBondContact O-N 3.47Å; M262-V265 WeakPolarHBondContact O-CG2 3.27Å; M262-V265 PolarHBondContact O-N 3.44Å; F263-V265 VanDerWaalsContact C-N 3.28Å; F263-V265 PolarHBondContact O-N 3.01Å
266L82.4Confident75.1Confident17 Ų1761.3 Ų61.39%0.08934%0.34CS..EExtended strand (participates in β ladder)trans-79.5134.5175.7-164.168.3000110I243 M262 F263 G270 L271 F272I243-L266 HydrophobicContact CB-CD1 4.32Å; I243-L266 HydrophobicContact CD1-CB 3.78Å; I243-L266 HydrophobicContact CD1-CD1 3.7Å; I243-L266 HydrophobicContact CD1-CG 4.3Å; I243-L266 HydrophobicContact CG1-CD1 3.73Å; M262-L266 PolarHBondContact O-N 2.84Å; F263-L266 PolarHBondContact O-N 2.85Å; L266-G270 WeakPolarHBondContact CD2-O 3.49Å; L266-L271 VanDerWaalsContact CD1-O 3.3Å; L266-L271 WeakPolarHBondContact CD1-O 3.35Å; L266-F272 HydrophobicContact CD2-CB 4.35Å; L266-F272 HydrophobicContact CD2-CD1 4.17Å
267K85.4Confident74.4Confident72 Ų7264.4 Ų64.431%0.31335%0.346SS..EExtended strand (participates in β ladder)trans-63.8155.2172.6-75.7171.7-175.2170.40111.4E238 K239 F240 D241 G269 G270E238-K267 HydrophobicContact CB-CG 4.43Å; E238-K267 WeakPolarHBondContact O-CG 3.49Å; K239-K267 WeakPolarHBondContact O-CE 3.45Å; F240-K267 PolarHBondContact O-N 2.77Å; D241-K267 WeakPolarHBondContact OD1-CD 3.36Å; D241-K267 IonicContact OD1-NZ 2.91Å; D241-K267 PolarHBondContact OD1-NZ 3.02Å; D241-K267 IonicContact OD2-NZ 3.93Å; D241-K267 PolarHBondContact OD2-NZ 2.93Å; K267-G269 PolarHBondContact O-N 3.19Å; K267-G270 WeakPolarHBondContact O-CA 3.44Å; K267-G270 PolarHBondContact O-N 2.88Å
268P83.6Confident73.3Confident104 Ų10468.3 Ų68.368%0.67536%0.363SS*.EExtended strand (participates in β ladder)trans-53.9123.7165.2-23.834.2000110.9G270P268-G270 VanDerWaalsContact C-N 3.26Å; P268-G270 PolarHBondContact O-N 3.26Å
269G78.2Confident72.1Confident84 Ų8470.9 Ų70.987%0.86639%0.391SS*.EExtended strand (participates in β ladder)trans80.1-0.2-175.300000115.2K267K267-G269 PolarHBondContact O-N 3.19Å
270G70.6Confident70.3Confident20 Ų2077.7 Ų77.721%0.20642%0.422CS..EExtended strand (participates in β ladder)trans-63.8156.4171.900000111.9D241 L266 K267 P268D241-G270 CarbonylContact O-C 3.5Å; D241-G270 VanDerWaalsContact O-CA 3.24Å; D241-G270 WeakPolarHBondContact O-CA 3.15Å; L266-G270 WeakPolarHBondContact CD2-O 3.49Å; K267-G270 WeakPolarHBondContact O-CA 3.44Å; K267-G270 PolarHBondContact O-N 2.88Å; P268-G270 VanDerWaalsContact C-N 3.26Å; P268-G270 PolarHBondContact O-N 3.26Å
271L67.9Low68.3Low122 Ų12274.1 Ų74.164%0.63942%0.416SS*.EExtended strand (participates in β ladder)trans-102.7146.1-177.6-69.8174000110.2D241 F242 I243 L266D241-L271 PolarHBondContact O-N 3.29Å; F242-L271 CarbonylContact C-O 3.47Å; F242-L271 VanDerWaalsContact CA-O 3.25Å; F242-L271 WeakPolarHBondContact CA-O 3.32Å; F242-L271 HydrophobicContact CD2-CB 3.75Å; F242-L271 HydrophobicContact CE2-CB 4.3Å; I243-L271 PolarHBondContact N-O 3.16Å; L266-L271 VanDerWaalsContact CD1-O 3.3Å; L266-L271 WeakPolarHBondContact CD1-O 3.35Å
272F69Low66.1Low52 Ų5280.1 Ų80.123%0.22845%0.449CS..EExtended strand (participates in β ladder)trans-132.6145.3166.377-87.3000112I243 F263 L266 I274 M291I243-F272 HydrophobicContact CB-CB 4.24Å; I243-F272 CarbonylContact O-C 3.56Å; I243-F272 WeakPolarHBondContact O-CA 3.35Å; I243-F272 WeakPolarHBondContact O-CB 3.46Å; F263-F272 HydrophobicContact CE1-CD1 4.32Å; F263-F272 AromaticContact CE1-CE1 3.73Å; F263-F272 HydrophobicContact CE1-CE1 3.73Å; F263-F272 HydrophobicContact CE1-CZ 4.33Å; F263-F272 AromaticContact CZ-CE1 3.68Å; F263-F272 HydrophobicContact CZ-CE1 3.68Å; F263-F272 AromaticContact CZ-CZ 3.8Å; F263-F272 HydrophobicContact CZ-CZ 3.8Å; L266-F272 HydrophobicContact CD2-CB 4.35Å; L266-F272 HydrophobicContact CD2-CD1 4.17Å; F272-I274 HydrophobicContact CD2-CD1 4.17Å; F272-I274 HydrophobicContact CD2-CG1 4.02Å; F272-I274 HydrophobicContact CE2-CD1 3.71Å; F272-I274 HydrophobicContact CE2-CG1 4.05Å; F272-M291 HydrophobicContact CE1-SD 3.82Å; F272-M291 HydrophobicContact CE2-CE 3.89Å; F272-M291 HydrophobicContact CE2-SD 4.21Å; F272-M291 HydrophobicContact CZ-CE 3.51Å; F272-M291 HydrophobicContact CZ-SD 3.27Å; F272-M291 WeakPolarHBondContact CZ-SD 3.38Å
273S62.7Low63.8Low30 Ų3085.5 Ų85.521%0.2148%0.478CS..EExtended strand (participates in β ladder)trans-126.2122.9178.51720000110.1I243 T244 A245I243-S273 PolarHBondContact O-N 3.47Å; T244-S273 CarbonylContact C-O 3.56Å; T244-S273 WeakPolarHBondContact CA-O 3.31Å; T244-S273 WeakPolarHBondContact OG1-CB 3.27Å; T244-S273 PolarHBondContact OG1-O 2.81Å; A245-S273 PolarHBondContact N-O 3.28Å
274I65.9Low61.1Low65 Ų6587.6 Ų87.633%0.33349%0.494SS..EExtended strand (participates in β ladder)trans-104.9119.6171.8-62.1168.6000106.7A245 I249 L259 F272 D276A245-I274 HydrophobicContact CB-CG1 4.49Å; A245-I274 WeakPolarHBondContact O-CA 3.37Å; I249-I274 HydrophobicContact CD1-CB 4.41Å; I249-I274 HydrophobicContact CD1-CD1 3.4Å; I249-I274 VanDerWaalsContact CD1-CD1 3.4Å; I249-I274 HydrophobicContact CD1-CG1 3.64Å; I249-I274 HydrophobicContact CD1-CG2 3.88Å; L259-I274 HydrophobicContact CD2-CD1 4.1Å; F272-I274 HydrophobicContact CD2-CD1 4.17Å; F272-I274 HydrophobicContact CD2-CG1 4.02Å; F272-I274 HydrophobicContact CE2-CD1 3.71Å; F272-I274 HydrophobicContact CE2-CG1 4.05Å; I274-D276 HydrophobicContact CG2-CB 4.1Å
275V60.3Low58.4Low45 Ų4590.2 Ų90.227%0.27352%0.517SS..EExtended strand (participates in β ladder)trans-104.6114.9167.2179.20000106.1L175 A245 F246 D247L175-V275 HydrophobicContact CD1-CG2 3.95Å; A245-V275 PolarHBondContact O-N 3.04Å; F246-V275 CarbonylContact C-O 3.5Å; F246-V275 WeakPolarHBondContact CA-O 3.48Å; F246-V275 HydrophobicContact CD1-CB 3.46Å; F246-V275 VanDerWaalsContact CD1-CB 3.46Å; F246-V275 HydrophobicContact CD1-CG1 4Å; F246-V275 HydrophobicContact CD1-CG2 3.62Å; F246-V275 HydrophobicContact CE1-CB 3.93Å; F246-V275 HydrophobicContact CE1-CG2 3.51Å; F246-V275 HydrophobicContact CG-CB 4.39Å; D247-V275 PolarHBondContact N-O 3.29Å
276D57.6Low55.7Low64 Ų6497 Ų9734%0.34255%0.552SS.*  trans-134.7161.2-178.4-150.1-22000109.6H250 I274 K278H250-D276 IonicContact CE1-OD1 3.38Å; H250-D276 PolarHBondContact CE1-OD1 3.35Å; H250-D276 IonicContact CG-OD1 2.76Å; H250-D276 VanDerWaalsContact ND1-CG 3.34Å; H250-D276 IonicContact ND1-OD1 3.57Å; H250-D276 PolarHBondContact ND1-OD1 2.77Å; H250-D276 IonicContact ND1-OD2 2.82Å; H250-D276 PolarHBondContact ND1-OD2 3.15Å; I274-D276 HydrophobicContact CG2-CB 4.1Å; D276-K278 PolarHBondContact O-N 3.38Å
277I58.7Low53.1Low127 Ų127105.9 Ų105.965%0.65159%0.59SS**  trans-64.2127.7173.5-59175000107.8G279I277-G279 PolarHBondContact O-N 3.47Å
278K49Very low50.3Low184 Ų184111.8 Ų111.880%0.862%0.616SS**  trans-62.2105.9178.1-172.1-178179.7-175.30109.7D276D276-K278 PolarHBondContact O-N 3.38Å
279G45.2Very low47.6Very low59 Ų59110.6 Ų110.661%0.60862%0.615SS**  trans-133.6129.817000000109.8I277 S281I277-G279 PolarHBondContact O-N 3.47Å; G279-S281 PolarHBondContact O-N 3.19Å
280E39.8Very low45.1Very low196 Ų196112.9 Ų112.992%0.91662%0.615SS**  trans-80.294.9167.7-71.8-179.4-17700107.3
281S39Very low43.2Very low80 Ų80118.5 Ų118.556%0.55964%0.637SS**  trans-100.1137172.771.70000110.6G279 L283G279-S281 PolarHBondContact O-N 3.19Å; S281-L283 PolarHBondContact O-N 2.66Å
282D36.1Very low41.3Very low164 Ų164118.3 Ų118.388%0.87765%0.646SS**  trans-64.632.1170.4-90-28.3000114.2N284D282-N284 PolarHBondContact O-N 3.4Å
283L31.6Very low39.3Very low133 Ų133119.1 Ų119.170%0.69667%0.669SS**  trans-70.785.8165.9-75.8169.5000107.8S281 V285S281-L283 PolarHBondContact O-N 2.66Å; L283-V285 HydrophobicContact CB-CG2 4.05Å; L283-V285 PolarHBondContact O-N 2.9Å
284N27.4Very low37.5Very low156 Ų156122.7 Ų122.783%0.83469%0.694SS**  trans-54.275153.4-99.9-38.7000108.4D282D282-N284 PolarHBondContact O-N 3.4Å
285V31.5Very low35.6Very low116 Ų116123.6 Ų123.670%0.70370%0.699SS**  trans-86.2114.8160.1-168.30000104.7L283 K287L283-V285 HydrophobicContact CB-CG2 4.05Å; L283-V285 PolarHBondContact O-N 2.9Å; V285-K287 PolarHBondContact O-N 3.29Å
286D27.1Very low34.1Very low146 Ų146130 Ų13078%0.78172%0.72SS**  trans-26.4124.3-179.5-88.9-51.4000114.2K288D286-K288 PolarHBondContact O-N 3.2Å
287K28.9Very low32.5Very low204 Ų204131 Ų13189%0.88774%0.737SS**SBendtrans-63.441.9177.6-69-177.6172.8178.70114.4V285V285-K287 PolarHBondContact O-N 3.29Å
288K26.2Very low30.9Very low196 Ų196128.5 Ų128.585%0.85273%0.729SS**  trans-130.616.6-174.4-78.8-167.9177.1-179.50116.2D286D286-K288 PolarHBondContact O-N 3.2Å
289A27.2Very low29.8Very low80 Ų80129 Ų12966%0.66174%0.739SS**  trans-116.8120.3168.200000110.7M291A289-M291 PolarHBondContact O-N 3.5Å; A289-M291 VanDerWaalsContact O-N 3.17Å
290P26.3Very low28.9Very low131 Ų131128.4 Ų128.485%0.85173%0.733SS**  trans-76.5103.5172.430.5-27.7000108.3
291M29.2Very low28.2Very low139 Ų139129.8 Ų129.869%0.68573%0.732SS**  trans-92.496.8167.2-78.7-100.1-89.600108.3F272 A289F272-M291 HydrophobicContact CE1-SD 3.82Å; F272-M291 HydrophobicContact CE2-CE 3.89Å; F272-M291 HydrophobicContact CE2-SD 4.21Å; F272-M291 HydrophobicContact CZ-CE 3.51Å; F272-M291 HydrophobicContact CZ-SD 3.27Å; F272-M291 WeakPolarHBondContact CZ-SD 3.38Å; A289-M291 PolarHBondContact O-N 3.5Å; A289-M291 VanDerWaalsContact O-N 3.17Å
292S27.9Very low27.7Very low118 Ų118132.7 Ų132.783%0.82574%0.74SS**  trans-91132.9169.655.50000110.4
293G27.8Very low27.2Very low68 Ų68129.2 Ų129.270%0.70173%0.726SS**  trans115.485.8150.800000117.2
294S25.4Very low27Very low106 Ų106129.2 Ų129.274%0.74174%0.737SS**  trans39.7126.4136.361.80000120.9
295L25.6Very low26.9Very low84 Ų84126 Ų12644%0.4473%0.727SS.*  -172.9111.3104.3-110.891.4000111.7L179L179-L295 HydrophobicContact CD2-CD1 4.12Å; L179-L295 HydrophobicContact CD2-CD2 3.59Å; L179-L295 HydrophobicContact CG-CD2 3.86Å
296Y28.6Very low26.8Very low179 Ų179129.5 Ų129.570%0.70273%0.729SS**  trans84.3111.8144.6-64-75.1000125.3
297A24.3Very low26.7Very low85 Ų85131.9 Ų131.970%0.70274%0.735SS**  7499.813000000120.1
298P24.6Very low26.5Very low74 Ų74127.3 Ų127.348%0.48173%0.728SS.*  trans-79124.3154.332.7-26.6000109.4G300P298-G300 PolarHBondContact O-N 3.41Å
299L26.7Very low26.5Very low194 Ų194125.9 Ų125.9100%1.01673%0.728SS**SBendtrans-6592156.2-89.4155.8000107
300G25.2Very low26.3Very low47 Ų47125 Ų12549%0.48573%0.727SS.*SBendtrans123112.2-179.300000112P298P298-G300 PolarHBondContact O-N 3.41Å
301Y26.6Very low26.3Very low226 Ų226126.2 Ų126.289%0.88673%0.725SS**  trans85.981.1-178.2-65.8-92.8000116.7
302L27Very low26.1Very low140 Ų140128.8 Ų128.873%0.73374%0.738SS**  trans-107.5133.7154.7-87.3165000109.8
303P25.9Very low26.1Very low91 Ų91131.3 Ų131.359%0.59174%0.739SS**  trans-72.7149.4176.928.4-31.1000112S305P303-S305 PolarHBondContact O-N 3.08Å
304S27.3Very low26.3Very low133 Ų133131.8 Ų131.893%0.9373%0.731SS**THydrogen-bonded Turntrans-65.526.9-164.254.50000118.4
305S26.2Very low26.8Very low89 Ų89134.7 Ų134.762%0.62274%0.738SS**THydrogen-bonded Turntrans-1306.1-173.347.90000116.9P303P303-S305 PolarHBondContact O-N 3.08Å
306Y28Very low28.3Very low190 Ų190134.4 Ų134.475%0.74574%0.74SS**  trans-108.9115.1170.5-70.7-85.2000110.9C308Y306-C308 PolarHBondContact O-N 3.23Å
307H24.9Very low30.4Very low196 Ų196130.8 Ų130.891%0.90773%0.733SS**  trans-71.593.2171.3-77.867.5000109I309H307-I309 PolarHBondContact O-N 2.94Å
308C25.5Very low33.2Very low107 Ų107130 Ų13072%0.72372%0.715SS**  trans-66.5125.9157.8-81.50000107.9Y306 G310Y306-C308 PolarHBondContact O-N 3.23Å; C308-G310 PolarHBondContact O-N 3.48Å
309I25.8Very low35.9Very low166 Ų166130.8 Ų130.885%0.85172%0.715SS**  trans-63.293.7163-65.8171.1000105.9H307 L311H307-I309 PolarHBondContact O-N 2.94Å; I309-L311 PolarHBondContact O-N 3.24Å
310G24.4Very low38.6Very low63 Ų63125.7 Ų125.765%0.64970%0.695SS**  trans-68.996.1175.400000109.4C308 M312C308-G310 PolarHBondContact O-N 3.48Å; G310-M312 PolarHBondContact O-N 3.28Å
311L25.2Very low41.7Very low156 Ų156123.8 Ų123.882%0.81767%0.674SS**  trans-66.8108145.7-77.2167.1000105.3I309 M313I309-L311 PolarHBondContact O-N 3.24Å; L311-M313 PolarHBondContact O-N 3.43Å
312M24.5Very low44.5Very low193 Ų193116 Ų11695%0.95164%0.643SS**  trans-57.887.4168.1-67.5-175.2-175.600108.2G310 S314G310-M312 PolarHBondContact O-N 3.28Å; M312-S314 PolarHBondContact O-N 2.94Å
313M28Very low47.4Very low171 Ų171114.5 Ų114.584%0.84264%0.636SS**  trans-76.1112.3156.7-64.9-161.876.400104.5L311 D315L311-M313 PolarHBondContact O-N 3.43Å; M313-D315 PolarHBondContact O-N 3.31Å
314S31.6Very low50.4Low77 Ų77114.2 Ų114.254%0.53863%0.625SS.*  trans-49.7134.6175.951.50000109.8M312 T316M312-S314 PolarHBondContact O-N 2.94Å; S314-T316 VanDerWaalsContact CB-CG2 3.45Å; S314-T316 PolarHBondContact O-N 3.39Å; S314-T316 PolarHBondContact O-OG1 2.9Å; S314-T316 WeakPolarHBondContact OG-CG2 3.42Å; S314-T316 PolarHBondContact OG-OG1 3.43Å; S314-T316 VanDerWaalsContact OG-OG1 3.12Å
315D37.2Very low53.3Low167 Ų167107.9 Ų107.989%0.89358%0.581SS**  trans-63.964.3172.1-71.2-47000110.7M313M313-D315 PolarHBondContact O-N 3.31Å
316T56.1Low56.1Low78 Ų78107.2 Ų107.248%0.47957%0.569SS.*  trans-103.8151.7-166.541.60000112.5S314 E318 D319S314-T316 VanDerWaalsContact CB-CG2 3.45Å; S314-T316 PolarHBondContact O-N 3.39Å; S314-T316 PolarHBondContact O-OG1 2.9Å; S314-T316 WeakPolarHBondContact OG-CG2 3.42Å; S314-T316 PolarHBondContact OG-OG1 3.43Å; S314-T316 VanDerWaalsContact OG-OG1 3.12Å; T316-E318 PolarHBondContact O-N 3.06Å; T316-D319 PolarHBondContact O-N 2.91Å
317D74.3Confident59Low104 Ų104100.1 Ų100.156%0.55655%0.55SS*.THydrogen-bonded Turntrans-23.5-28.2-176.2-60.5-34.3000120W93 F321W93-D317 HydrophobicContact CD2-CB 3.88Å; W93-D317 HydrophobicContact CE3-CB 3.82Å; W93-D317 HydrophobicContact CG-CB 4.49Å; W93-D317 HydrophobicContact CH2-CB 3.95Å; W93-D317 HydrophobicContact CZ2-CB 4.06Å; W93-D317 HydrophobicContact CZ3-CB 3.83Å; W93-D317 VanDerWaalsContact CZ3-O 3.23Å; W93-D317 WeakPolarHBondContact CZ3-O 3.49Å; D317-F321 WeakPolarHBondContact O-CB 3.23Å; D317-F321 PolarHBondContact O-N 2.99Å; D317-F321 VanDerWaalsContact O-N 3.15Å
318E82.2Confident62Low69 Ų6991 Ų9132%0.32251%0.508SS..Hα-helixtrans-62.9-48178.7-172.7174.1157.800113.5L97 T316 S320 F321 R322L97-E318 HydrophobicContact CD1-CG 3.92Å; L97-E318 HydrophobicContact CG-CG 4.42Å; T316-E318 PolarHBondContact O-N 3.06Å; E318-S320 PolarHBondContact O-N 3.1Å; E318-F321 CarbonylContact O-C 3.57Å; E318-F321 PolarHBondContact O-N 2.9Å; E318-F321 VanDerWaalsContact O-N 3.14Å; E318-R322 PolarHBondContact O-N 2.99Å
319D80.6Confident65Low90 Ų9086 Ų8648%0.48147%0.474SS..Hα-helixtrans-66.2-40.5-178.4-81.1-25.9000112T316 F321 R322 N323T316-D319 PolarHBondContact O-N 2.91Å; D319-F321 VanDerWaalsContact C-N 3.26Å; D319-F321 PolarHBondContact O-N 3.32Å; D319-R322 PolarHBondContact O-N 3.05Å; D319-N323 WeakPolarHBondContact O-CB 3.48Å; D319-N323 PolarHBondContact O-N 3.22Å; D319-N323 PolarHBondContact O-ND2 2.81Å
320S84.6Confident67.9Low86 Ų8682 Ų8260%0.60145%0.454SS*.Hα-helixtrans-57.2-42.1172.6178.40000111.2E318 N323 K324E318-S320 PolarHBondContact O-N 3.1Å; S320-N323 PolarHBondContact O-N 3.14Å; S320-K324 PolarHBondContact O-N 3.12Å
321F88.9Confident71.1Confident7 Ų780.7 Ų80.73%0.03143%0.432CS..Hα-helixtrans-75.7-35.7178.9-177.4-98.5000114I78 W93 R94 L97 L98 D317 E318 D319 N323 K324 C325I78-F321 HydrophobicContact CD1-CE2 3.99Å; I78-F321 HydrophobicContact CD1-CZ 3.91Å; I78-F321 HydrophobicContact CG2-CZ 4.32Å; W93-F321 HydrophobicContact CE3-CB 4.38Å; W93-F321 HydrophobicContact CH2-CB 4.3Å; W93-F321 HydrophobicContact CH2-CD2 4.49Å; W93-F321 HydrophobicContact CZ3-CB 3.49Å; W93-F321 VanDerWaalsContact CZ3-CB 3.49Å; W93-F321 HydrophobicContact CZ3-CD1 4.45Å; W93-F321 HydrophobicContact CZ3-CD2 4.24Å; W93-F321 AromaticContact CZ3-CG 3.83Å; W93-F321 HydrophobicContact CZ3-CG 3.83Å; R94-F321 HydrophobicContact CB-CD1 4.16Å; R94-F321 HydrophobicContact CB-CE1 3.78Å; R94-F321 HydrophobicContact CB-CZ 4.16Å; R94-F321 HydrophobicContact CG-CD1 3.78Å; R94-F321 HydrophobicContact CG-CD2 4.14Å; R94-F321 HydrophobicContact CG-CE1 3.71Å; R94-F321 HydrophobicContact CG-CE2 4.08Å; R94-F321 HydrophobicContact CG-CG 4Å; R94-F321 HydrophobicContact CG-CZ 3.87Å; L97-F321 HydrophobicContact CD1-CD1 3.72Å; L97-F321 HydrophobicContact CD1-CE1 4.38Å; L98-F321 HydrophobicContact CD1-CE1 3.7Å; L98-F321 HydrophobicContact CD1-CZ 3.73Å; L98-F321 HydrophobicContact CG-CE1 4.14Å; D317-F321 WeakPolarHBondContact O-CB 3.23Å; D317-F321 PolarHBondContact O-N 2.99Å; D317-F321 VanDerWaalsContact O-N 3.15Å; E318-F321 CarbonylContact O-C 3.57Å; E318-F321 PolarHBondContact O-N 2.9Å; E318-F321 VanDerWaalsContact O-N 3.14Å; D319-F321 VanDerWaalsContact C-N 3.26Å; D319-F321 PolarHBondContact O-N 3.32Å; F321-N323 VanDerWaalsContact C-N 3.3Å; F321-N323 PolarHBondContact O-N 2.91Å; F321-K324 HydrophobicContact CD2-CD 4.38Å; F321-K324 WeakPolarHBondContact O-CB 3.22Å; F321-K324 PolarHBondContact O-N 2.87Å; F321-C325 PolarHBondContact O-N 2.79Å
322R87.3Confident74.2Confident62 Ų6273.3 Ų73.323%0.23439%0.394CS..Hα-helixtrans-55.9-48.2168.7-174.1-174-68.6-91.69.9110.1L97 E104 E318 D319 K324 C325 M326L97-R322 HydrophobicContact CD1-CB 3.95Å; L97-R322 HydrophobicContact CD2-CB 4.38Å; L97-R322 HydrophobicContact CD2-CG 4.25Å; E104-R322 PolarHBondContact O-NH1 2.99Å; E104-R322 IonicContact OE2-NH2 2.79Å; E318-R322 PolarHBondContact O-N 2.99Å; D319-R322 PolarHBondContact O-N 3.05Å; R322-K324 VanDerWaalsContact C-N 3.33Å; R322-K324 PolarHBondContact O-N 3.11Å; R322-C325 PolarHBondContact O-N 3.5Å; R322-M326 WeakPolarHBondContact O-CG 3.46Å; R322-M326 PolarHBondContact O-N 3.05Å
323N86.7Confident77.2Confident109 Ų10967.3 Ų67.358%0.58336%0.361SS*.Hα-helixtrans-60.9-39.8176.1-73.2-29.1000112.3D319 S320 F321 M326 A327D319-N323 WeakPolarHBondContact O-CB 3.48Å; D319-N323 PolarHBondContact O-N 3.22Å; D319-N323 PolarHBondContact O-ND2 2.81Å; S320-N323 PolarHBondContact O-N 3.14Å; F321-N323 VanDerWaalsContact C-N 3.3Å; F321-N323 PolarHBondContact O-N 2.91Å; N323-M326 PolarHBondContact O-N 3.18Å; N323-A327 WeakPolarHBondContact O-CB 3.47Å; N323-A327 PolarHBondContact O-N 3.44Å
324K88.2Confident80.3Confident85 Ų8559.5 Ų59.537%0.3732%0.323SS..Hα-helixtrans-61.1-46.2173.2-178.3-176.8174.8-176.80112.2G76 G77 S320 F321 R322 A327 L328G76-K324 VanDerWaalsContact O-CE 3.27Å; G76-K324 WeakPolarHBondContact O-CE 3.47Å; G76-K324 PolarHBondContact O-NZ 3.02Å; G77-K324 PolarHBondContact O-NZ 2.73Å; S320-K324 PolarHBondContact O-N 3.12Å; F321-K324 HydrophobicContact CD2-CD 4.38Å; F321-K324 WeakPolarHBondContact O-CB 3.22Å; F321-K324 PolarHBondContact O-N 2.87Å; R322-K324 VanDerWaalsContact C-N 3.33Å; R322-K324 PolarHBondContact O-N 3.11Å; K324-A327 PolarHBondContact O-N 3.22Å; K324-L328 HydrophobicContact CG-CD1 4.32Å; K324-L328 WeakPolarHBondContact O-CG 3.29Å; K324-L328 PolarHBondContact O-N 3.42Å
325C88.2Confident83.1Confident0 Ų055.9 Ų55.90%030%0.298CS..Hα-helixtrans-65-37.9177-74.60000112.3I106 I110 F321 R322 L328 C329I106-C325 HydrophobicContact CD1-CB 3.55Å; I106-C325 HydrophobicContact CG1-CB 4.3Å; I106-C325 HydrophobicContact CG2-CB 3.89Å; I110-C325 HydrophobicContact CD1-CB 4.31Å; F321-C325 PolarHBondContact O-N 2.79Å; R322-C325 PolarHBondContact O-N 3.5Å; C325-L328 WeakPolarHBondContact O-CB 3.32Å; C325-L328 PolarHBondContact O-N 3Å; C325-C329 PolarHBondContact O-N 3.01Å
326M85.7Confident85.5Confident75 Ų7548.7 Ų48.737%0.36926%0.259SS..Hα-helixtrans-63.5-44.6172.7-74-61.2-63.300111.3I106 M109 R322 N323 L328 C329 N330I106-M326 HydrophobicContact CD1-CB 4.28Å; I106-M326 HydrophobicContact CD1-CG 3.46Å; I106-M326 VanDerWaalsContact CD1-CG 3.46Å; I106-M326 HydrophobicContact CD1-SD 3.34Å; I106-M326 WeakPolarHBondContact CD1-SD 3.21Å; I106-M326 HydrophobicContact CG1-SD 4.05Å; M109-M326 HydrophobicContact CE-CE 3.79Å; M109-M326 HydrophobicContact CE-SD 3.89Å; M109-M326 HydrophobicContact SD-CE 3.73Å; M109-M326 HydrophobicContact SD-SD 3.68Å; M109-M326 VanDerWaalsContact SD-SD 3.68Å; R322-M326 WeakPolarHBondContact O-CG 3.46Å; R322-M326 PolarHBondContact O-N 3.05Å; N323-M326 PolarHBondContact O-N 3.18Å; M326-L328 VanDerWaalsContact C-N 3.34Å; M326-L328 PolarHBondContact O-N 3.01Å; M326-C329 WeakPolarHBondContact O-CB 3.21Å; M326-C329 PolarHBondContact O-N 3.25Å; M326-N330 WeakPolarHBondContact O-CB 3.36Å; M326-N330 PolarHBondContact O-N 3.23Å
327A88.4Confident87.2Confident42 Ų4245.6 Ų45.635%0.34724%0.242SC..Hα-helixtrans-63.8-38.1175.900000112.1N323 K324 N331N323-A327 WeakPolarHBondContact O-CB 3.47Å; N323-A327 PolarHBondContact O-N 3.44Å; K324-A327 PolarHBondContact O-N 3.22Å; A327-N331 WeakPolarHBondContact O-CB 3.34Å; A327-N331 PolarHBondContact O-N 3.48Å; A327-N331 PolarHBondContact O-OD1 2.87Å
328L89.2Confident88Confident4 Ų440.7 Ų40.72%0.02122%0.215CC..Hα-helixtrans-57.2-49171.9-80.8160.7000111N23 V26 L30 I78 K324 C325 M326 A332N23-L328 HydrophobicContact CB-CD2 3.73Å; N23-L328 VanDerWaalsContact CG-CD2 3.44Å; N23-L328 WeakPolarHBondContact OD1-CD2 3.32Å; V26-L328 HydrophobicContact CB-CD2 4.1Å; V26-L328 HydrophobicContact CG1-CD2 3.95Å; L30-L328 HydrophobicContact CD1-CD1 4.19Å; I78-L328 HydrophobicContact CD1-CD1 3.82Å; K324-L328 HydrophobicContact CG-CD1 4.32Å; K324-L328 WeakPolarHBondContact O-CG 3.29Å; K324-L328 PolarHBondContact O-N 3.42Å; C325-L328 WeakPolarHBondContact O-CB 3.32Å; C325-L328 PolarHBondContact O-N 3Å; M326-L328 VanDerWaalsContact C-N 3.34Å; M326-L328 PolarHBondContact O-N 3.01Å; L328-A332 WeakPolarHBondContact O-CB 3.11Å; L328-A332 PolarHBondContact O-N 3.07Å; L328-A332 VanDerWaalsContact O-N 3.08Å
329C86.8Confident88.3Confident2 Ų237.4 Ų37.41%0.01420%0.2CC..Hα-helixtrans-62.7-50.1178.3-164.20000112.4M109 I110 C325 M326 N331 A332 Y333M109-C329 HydrophobicContact SD-CB 4.47Å; I110-C329 HydrophobicContact CG1-CB 3.96Å; C325-C329 PolarHBondContact O-N 3.01Å; M326-C329 WeakPolarHBondContact O-CB 3.21Å; M326-C329 PolarHBondContact O-N 3.25Å; C329-N331 VanDerWaalsContact C-N 3.35Å; C329-N331 PolarHBondContact O-N 3.31Å; C329-A332 VanDerWaalsContact O-CB 3.32Å; C329-A332 WeakPolarHBondContact O-CB 3.23Å; C329-A332 PolarHBondContact O-N 3.11Å; C329-Y333 VanDerWaalsContact O-CD2 3.29Å; C329-Y333 WeakPolarHBondContact O-CD2 3.44Å; C329-Y333 PolarHBondContact O-N 3.25Å; C329-Y333 WeakPolarHBondContact SG-CE2 3.27Å
330N88.5Confident88.7Confident83 Ų8334.1 Ų34.144%0.44418%0.182SC..Hα-helixtrans-60-46.3-179.9-178.164.7000111.4M326 A332 Y333 V334M326-N330 WeakPolarHBondContact O-CB 3.36Å; M326-N330 PolarHBondContact O-N 3.23Å; N330-A332 PolarHBondContact O-N 2.94Å; N330-Y333 PolarHBondContact O-N 2.9Å; N330-Y333 VanDerWaalsContact O-N 3.13Å; N330-V334 WeakPolarHBondContact O-CG2 3.46Å; N330-V334 PolarHBondContact O-N 3.12Å
331N91.2Very high89Confident34 Ų3430 Ų3018%0.18215%0.153CC..Hα-helixtrans-62.5-33.3178.8-72.64.1000112.1L20 N23 A327 C329 V334 A335L20-N331 HydrophobicContact CD2-CB 3.61Å; L20-N331 VanDerWaalsContact CD2-CG 3.49Å; N23-N331 HydrophobicContact CB-CB 3.61Å; N23-N331 PolarHBondContact ND2-ND2 3.17Å; A327-N331 WeakPolarHBondContact O-CB 3.34Å; A327-N331 PolarHBondContact O-N 3.48Å; A327-N331 PolarHBondContact O-OD1 2.87Å; C329-N331 VanDerWaalsContact C-N 3.35Å; C329-N331 PolarHBondContact O-N 3.31Å; N331-V334 PolarHBondContact O-N 3.04Å; N331-A335 WeakPolarHBondContact O-CB 3.41Å; N331-A335 PolarHBondContact O-N 2.94Å
332A89.3Confident89Confident1 Ų130.9 Ų30.91%0.00816%0.157CC..Hα-helixtrans-62.4-43.617400000112.4A24 A27 I113 L328 C329 N330 A335 L336A24-A332 HydrophobicContact CB-CB 4.04Å; A27-A332 HydrophobicContact CB-CB 3.79Å; I113-A332 HydrophobicContact CD1-CB 3.63Å; I113-A332 HydrophobicContact CG1-CB 4.01Å; L328-A332 WeakPolarHBondContact O-CB 3.11Å; L328-A332 PolarHBondContact O-N 3.07Å; L328-A332 VanDerWaalsContact O-N 3.08Å; C329-A332 VanDerWaalsContact O-CB 3.32Å; C329-A332 WeakPolarHBondContact O-CB 3.23Å; C329-A332 PolarHBondContact O-N 3.11Å; N330-A332 PolarHBondContact O-N 2.94Å; A332-A335 PolarHBondContact O-N 3.32Å; A332-L336 PolarHBondContact O-N 3.4Å; A332-L336 VanDerWaalsContact O-N 3.08Å
333Y89Confident88.9Confident68 Ų6831.8 Ų31.827%0.26716%0.16SC..Hα-helixtrans-68-40.3176.1-61.2-48.7000112.7M109 M112 I113 L116 C329 N330 A335 L336 A337M109-Y333 PolarHBondContact O-OH 2.99Å; M112-Y333 WeakPolarHBondContact CB-OH 3.49Å; I113-Y333 HydrophobicContact CD1-CD1 4.01Å; I113-Y333 HydrophobicContact CD1-CE1 4.15Å; L116-Y333 HydrophobicContact CD1-CD1 4.38Å; L116-Y333 HydrophobicContact CD1-CE1 3.82Å; C329-Y333 VanDerWaalsContact O-CD2 3.29Å; C329-Y333 WeakPolarHBondContact O-CD2 3.44Å; C329-Y333 PolarHBondContact O-N 3.25Å; C329-Y333 WeakPolarHBondContact SG-CE2 3.27Å; N330-Y333 PolarHBondContact O-N 2.9Å; N330-Y333 VanDerWaalsContact O-N 3.13Å; Y333-A335 VanDerWaalsContact C-N 3.3Å; Y333-A335 PolarHBondContact O-N 2.96Å; Y333-L336 PolarHBondContact O-N 2.98Å; Y333-A337 PolarHBondContact O-N 3.18Å
334V91.7Very high89.1Confident7 Ų726.9 Ų26.94%0.04213%0.134CC..Hα-helixtrans-62.4-39.7174.3176.90000110.6L20 N330 N331 A337 L338 M381L20-V334 HydrophobicContact CD1-CG1 3.78Å; L20-V334 HydrophobicContact CD2-CB 4.07Å; L20-V334 HydrophobicContact CD2-CG1 4Å; N330-V334 WeakPolarHBondContact O-CG2 3.46Å; N330-V334 PolarHBondContact O-N 3.12Å; N331-V334 PolarHBondContact O-N 3.04Å; V334-A337 PolarHBondContact O-N 2.91Å; V334-L338 WeakPolarHBondContact O-CB 3.34Å; V334-L338 PolarHBondContact O-N 3.19Å; V334-M381 HydrophobicContact CG1-CE 4.4Å
335A90.8Very high89.2Confident1 Ų128.2 Ų28.21%0.00814%0.139CC..Hα-helixtrans-63.6-40.3176.200000112.6A24 N331 A332 Y333 L338 S339 T418A24-A335 HydrophobicContact CB-CB 3.66Å; N331-A335 WeakPolarHBondContact O-CB 3.41Å; N331-A335 PolarHBondContact O-N 2.94Å; A332-A335 PolarHBondContact O-N 3.32Å; Y333-A335 VanDerWaalsContact C-N 3.3Å; Y333-A335 PolarHBondContact O-N 2.96Å; A335-L338 WeakPolarHBondContact O-CB 3.36Å; A335-L338 PolarHBondContact O-N 3.21Å; A335-S339 PolarHBondContact O-N 3.08Å; A335-T418 HydrophobicContact CB-CG2 4.28Å
336L88.8Confident89.5Confident16 Ų1628.2 Ų28.28%0.08414%0.139CC..Hα-helixtrans-61.8-44.9171.9-72.4-178.2000111.9I113 S117 A332 Y333 L338 S339 L340 I421 T422I113-L336 HydrophobicContact CD1-CD1 3.32Å; I113-L336 HydrophobicContact CD1-CG 3.79Å; I113-L336 HydrophobicContact CG1-CD1 4.46Å; S117-L336 WeakPolarHBondContact OG-CD2 3.27Å; A332-L336 PolarHBondContact O-N 3.4Å; A332-L336 VanDerWaalsContact O-N 3.08Å; Y333-L336 PolarHBondContact O-N 2.98Å; L336-L338 VanDerWaalsContact C-N 3.29Å; L336-L338 PolarHBondContact O-N 3.44Å; L336-S339 WeakPolarHBondContact O-CB 3.35Å; L336-S339 PolarHBondContact O-N 2.93Å; L336-L340 WeakPolarHBondContact O-CG 3.49Å; L336-L340 PolarHBondContact O-N 3.11Å; L336-I421 HydrophobicContact CD2-CG2 3.6Å; L336-T422 HydrophobicContact CD2-CG2 4.03Å
337A91.5Very high89.9Confident13 Ų1324.7 Ų24.711%0.10712%0.122CC..Hα-helixtrans-65-34.2176.800000111.8Y333 V334 L340 G341 W377 A380 M381Y333-A337 PolarHBondContact O-N 3.18Å; V334-A337 PolarHBondContact O-N 2.91Å; A337-L340 PolarHBondContact O-N 2.82Å; A337-G341 PolarHBondContact O-N 3.32Å; A337-W377 PolarHBondContact O-NE1 3.18Å; A337-A380 HydrophobicContact CB-CB 4.01Å; A337-M381 HydrophobicContact CB-CE 3.37Å
338L91Very high90Very high1 Ų124.2 Ų24.21%0.00511%0.114CC..Hα-helixtrans-62.8-44.9172.9-160.680.8000111V334 A335 L336 G341 Y342 F347 M381 I386 L406 V415 T418V334-L338 WeakPolarHBondContact O-CB 3.34Å; V334-L338 PolarHBondContact O-N 3.19Å; A335-L338 WeakPolarHBondContact O-CB 3.36Å; A335-L338 PolarHBondContact O-N 3.21Å; L336-L338 VanDerWaalsContact C-N 3.29Å; L336-L338 PolarHBondContact O-N 3.44Å; L338-G341 PolarHBondContact O-N 2.99Å; L338-Y342 PolarHBondContact O-N 3.3Å; L338-F347 HydrophobicContact CD1-CE1 4.46Å; L338-F347 HydrophobicContact CD1-CE2 4.35Å; L338-F347 HydrophobicContact CD1-CZ 3.64Å; L338-F347 HydrophobicContact CG-CZ 4.31Å; L338-M381 HydrophobicContact CD1-SD 3.88Å; L338-I386 HydrophobicContact CD1-CD1 4.32Å; L338-I386 HydrophobicContact CD1-CG1 4.08Å; L338-I386 HydrophobicContact CD1-CG2 3.87Å; L338-L406 HydrophobicContact CD1-CD2 4.17Å; L338-V415 HydrophobicContact CD2-CG1 4Å; L338-V415 HydrophobicContact CD2-CG2 4.04Å; L338-V415 HydrophobicContact CG-CG1 3.91Å; L338-V415 HydrophobicContact CG-CG2 4.32Å; L338-T418 HydrophobicContact CB-CG2 4.28Å; L338-T418 HydrophobicContact CD2-CG2 3.55Å; L338-T418 HydrophobicContact CG-CG2 4.42Å
339S87.5Confident90.3Very high0 Ų026.7 Ų26.70%013%0.125CC..Hα-helixtrans-57.8-48.2174.5172.40000111.7A335 L336 G341 Y342 R343 T418 N419A335-S339 PolarHBondContact O-N 3.08Å; L336-S339 WeakPolarHBondContact O-CB 3.35Å; L336-S339 PolarHBondContact O-N 2.93Å; S339-G341 VanDerWaalsContact C-N 3.33Å; S339-G341 PolarHBondContact O-N 3.39Å; S339-Y342 PolarHBondContact O-N 3.46Å; S339-R343 VanDerWaalsContact O-CG 3.31Å; S339-R343 WeakPolarHBondContact O-CG 3.35Å; S339-R343 PolarHBondContact O-N 3.35Å; S339-T418 PolarHBondContact N-OG1 2.99Å; S339-N419 WeakPolarHBondContact CA-OD1 3.46Å; S339-N419 VanDerWaalsContact CB-OD1 3.31Å; S339-N419 WeakPolarHBondContact CB-OD1 3.46Å; S339-N419 PolarHBondContact OG-OD1 3.18Å
340L89.7Confident90.6Very high20 Ų2026.7 Ų26.711%0.10512%0.124CC..Hα-helixtrans-56.6-47.7175.1-70172.9000111.4T120 I123 L124 L336 A337 Y342 R343 L344T120-L340 HydrophobicContact CG2-CD2 3.76Å; I123-L340 HydrophobicContact CB-CD2 4.45Å; I123-L340 HydrophobicContact CG2-CD1 3.86Å; I123-L340 HydrophobicContact CG2-CD2 4.05Å; L124-L340 HydrophobicContact CD1-CD2 4.49Å; L124-L340 HydrophobicContact CD2-CD2 3.57Å; L124-L340 HydrophobicContact CG-CD2 3.68Å; L336-L340 WeakPolarHBondContact O-CG 3.49Å; L336-L340 PolarHBondContact O-N 3.11Å; A337-L340 PolarHBondContact O-N 2.82Å; L340-Y342 VanDerWaalsContact C-N 3.34Å; L340-Y342 PolarHBondContact O-N 3.23Å; L340-R343 PolarHBondContact O-N 3.31Å; L340-L344 WeakPolarHBondContact O-CB 3.41Å; L340-L344 VanDerWaalsContact O-CG 3.26Å; L340-L344 WeakPolarHBondContact O-CG 3.34Å; L340-L344 PolarHBondContact O-N 2.98Å
341G91.5Very high90.8Very high0 Ų025.2 Ų25.20%012%0.115CC..Hα-helixtrans-57.9-42.7179.900000113.7A337 L338 S339 K345 L346 W377A337-G341 PolarHBondContact O-N 3.32Å; L338-G341 PolarHBondContact O-N 2.99Å; S339-G341 VanDerWaalsContact C-N 3.33Å; S339-G341 PolarHBondContact O-N 3.39Å; G341-K345 CarbonylContact O-C 3.59Å; G341-K345 WeakPolarHBondContact O-CA 3.35Å; G341-K345 PolarHBondContact O-N 3.27Å; G341-L346 PolarHBondContact O-N 3.21Å; G341-W377 VanDerWaalsContact CA-CE2 3.47Å; G341-W377 VanDerWaalsContact CA-CZ2 3.44Å; G341-W377 VanDerWaalsContact CA-NE1 3.31Å
342Y87.5Confident90.8Very high26 Ų2625.1 Ų25.110%0.10212%0.117CC..Hα-helixtrans-69.2-45.1176.7168.8-92.9000112.6L338 S339 L340 L344 K345 V415 P416 N419 R467L338-Y342 PolarHBondContact O-N 3.3Å; S339-Y342 PolarHBondContact O-N 3.46Å; L340-Y342 VanDerWaalsContact C-N 3.34Å; L340-Y342 PolarHBondContact O-N 3.23Å; Y342-L344 VanDerWaalsContact C-N 3.29Å; Y342-L344 PolarHBondContact O-N 3.21Å; Y342-K345 WeakPolarHBondContact O-CA 3.06Å; Y342-K345 PolarHBondContact O-N 3.3Å; Y342-V415 HydrophobicContact CD1-CG1 4.5Å; Y342-V415 HydrophobicContact CD2-CB 3.89Å; Y342-V415 HydrophobicContact CD2-CG1 4.04Å; Y342-V415 HydrophobicContact CG-CB 4.08Å; Y342-V415 HydrophobicContact CG-CG1 3.71Å; Y342-P416 HydrophobicContact CE2-CG 4.48Å; Y342-N419 WeakPolarHBondContact CD1-ND2 2.96Å; Y342-N419 WeakPolarHBondContact CE1-ND2 3.5Å; Y342-R467 PolarHBondContact OH-NH2 3.06Å
343R85.2Confident90.8Very high81 Ų8127.7 Ų27.731%0.30613%0.133SC..Hα-helixtrans-65.7-33.5-179.6-68.8-179.165.1-176-3.8112.5E121 L124 S339 L340 K345E121-R343 IonicContact OE1-CZ 3.93Å; E121-R343 IonicContact OE1-NH1 3.15Å; E121-R343 PolarHBondContact OE1-NH1 2.93Å; E121-R343 IonicContact OE1-NH2 3.12Å; E121-R343 PolarHBondContact OE1-NH2 3.48Å; E121-R343 IonicContact OE2-CZ 3.59Å; E121-R343 IonicContact OE2-NH1 3.21Å; E121-R343 IonicContact OE2-NH2 2.87Å; E121-R343 PolarHBondContact OE2-NH2 3.46Å; L124-R343 HydrophobicContact CD1-CB 4.38Å; L124-R343 HydrophobicContact CD2-CB 4.15Å; S339-R343 VanDerWaalsContact O-CG 3.31Å; S339-R343 WeakPolarHBondContact O-CG 3.35Å; S339-R343 PolarHBondContact O-N 3.35Å; L340-R343 PolarHBondContact O-N 3.31Å; R343-K345 VanDerWaalsContact C-N 3.3Å
344L90.5Very high90.9Very high6 Ų630 Ų303%0.03115%0.146CC..THydrogen-bonded Turntrans-83.7-4.2172.2-63.5167.8000112.9L124 F127 L340 Y342 L346 Y369L124-L344 HydrophobicContact CD2-CD1 3.91Å; L124-L344 HydrophobicContact CD2-CD2 3.59Å; L124-L344 HydrophobicContact CD2-CG 3.45Å; L124-L344 VanDerWaalsContact CD2-CG 3.45Å; F127-L344 HydrophobicContact CB-CD1 4.06Å; F127-L344 HydrophobicContact CB-CD2 4.01Å; F127-L344 HydrophobicContact CD1-CD1 3.4Å; F127-L344 HydrophobicContact CD2-CD1 3.77Å; F127-L344 HydrophobicContact CE1-CD1 3.63Å; F127-L344 HydrophobicContact CE2-CD1 4Å; F127-L344 HydrophobicContact CG-CD1 3.46Å; F127-L344 VanDerWaalsContact CG-CD1 3.46Å; F127-L344 HydrophobicContact CG-CD2 4.33Å; F127-L344 HydrophobicContact CZ-CD1 3.93Å; L340-L344 WeakPolarHBondContact O-CB 3.41Å; L340-L344 VanDerWaalsContact O-CG 3.26Å; L340-L344 WeakPolarHBondContact O-CG 3.34Å; L340-L344 PolarHBondContact O-N 2.98Å; Y342-L344 VanDerWaalsContact C-N 3.29Å; Y342-L344 PolarHBondContact O-N 3.21Å; L344-L346 HydrophobicContact CB-CD1 4.01Å; L344-L346 HydrophobicContact CB-CG 3.78Å; L344-L346 HydrophobicContact CD1-CD1 3.81Å; L344-L346 HydrophobicContact CD1-CG 4.47Å; L344-L346 PolarHBondContact O-N 3.01Å; L344-L346 VanDerWaalsContact O-N 3.14Å; L344-Y369 HydrophobicContact CB-CE2 3.89Å; L344-Y369 HydrophobicContact CD2-CE1 3.87Å; L344-Y369 HydrophobicContact CD2-CE2 4.17Å; L344-Y369 WeakPolarHBondContact O-CE2 3.46Å; L344-Y369 PolarHBondContact O-OH 3.12Å
345K91.8Very high90.8Very high112 Ų11238.7 Ų38.749%0.48718%0.183SC..THydrogen-bonded Turntrans54.827-175.3-55.1-172.9176.9-169.30114G341 Y342 R343 F347 D348 F349G341-K345 CarbonylContact O-C 3.59Å; G341-K345 WeakPolarHBondContact O-CA 3.35Å; G341-K345 PolarHBondContact O-N 3.27Å; Y342-K345 WeakPolarHBondContact O-CA 3.06Å; Y342-K345 PolarHBondContact O-N 3.3Å; R343-K345 VanDerWaalsContact C-N 3.3Å; K345-F347 PolarHBondContact O-N 3.05Å; K345-D348 WeakPolarHBondContact O-CB 3.46Å; K345-D348 PolarHBondContact O-N 3.5Å; K345-F349 WeakPolarHBondContact O-CD2 3.3Å; K345-F349 WeakPolarHBondContact O-CE2 3.16Å
346L94Very high90.9Very high0 Ų042.6 Ų42.60%020%0.204CC..G310 helixtrans-61.5-32.6-175.9-75.8170.9000112.6F127 G341 L344 D348 F349 V363 A367 Y369 V374 W377F127-L346 HydrophobicContact CD1-CD1 4.39Å; F127-L346 HydrophobicContact CE1-CD1 3.97Å; G341-L346 PolarHBondContact O-N 3.21Å; L344-L346 HydrophobicContact CB-CD1 4.01Å; L344-L346 HydrophobicContact CB-CG 3.78Å; L344-L346 HydrophobicContact CD1-CD1 3.81Å; L344-L346 HydrophobicContact CD1-CG 4.47Å; L344-L346 PolarHBondContact O-N 3.01Å; L344-L346 VanDerWaalsContact O-N 3.14Å; L346-D348 PolarHBondContact O-N 2.83Å; L346-F349 PolarHBondContact O-N 3.47Å; L346-V363 HydrophobicContact CD2-CG1 4.46Å; L346-A367 HydrophobicContact CD2-CB 3.96Å; L346-Y369 HydrophobicContact CD2-CD2 3.72Å; L346-Y369 HydrophobicContact CD2-CE2 4.12Å; L346-Y369 HydrophobicContact CG-CD2 4.49Å; L346-V374 HydrophobicContact CD2-CG1 4.45Å; L346-V374 HydrophobicContact CD2-CG2 4.15Å; L346-W377 HydrophobicContact CB-CD2 4.49Å; L346-W377 HydrophobicContact CB-CE3 4.11Å; L346-W377 HydrophobicContact CB-CH2 3.47Å; L346-W377 VanDerWaalsContact CB-CH2 3.47Å; L346-W377 HydrophobicContact CB-CZ2 3.89Å; L346-W377 HydrophobicContact CB-CZ3 3.59Å; L346-W377 HydrophobicContact CD1-CD2 3.54Å; L346-W377 HydrophobicContact CD1-CE3 3.57Å; L346-W377 HydrophobicContact CD1-CG 4Å; L346-W377 HydrophobicContact CD1-CH2 4.33Å; L346-W377 HydrophobicContact CD1-CZ2 4.3Å; L346-W377 HydrophobicContact CD1-CZ3 3.99Å; L346-W377 HydrophobicContact CG-CE3 4.38Å; L346-W377 HydrophobicContact CG-CZ3 4.33Å
347F93.6Very high91.1Very high1 Ų142.3 Ų42.30%0.00421%0.205CC..G310 helixtrans-61.3-27.5175.8-60.1-64.4000113.4L338 K345 F349 L350 W377 M381 I386 L398 L406L338-F347 HydrophobicContact CD1-CE1 4.46Å; L338-F347 HydrophobicContact CD1-CE2 4.35Å; L338-F347 HydrophobicContact CD1-CZ 3.64Å; L338-F347 HydrophobicContact CG-CZ 4.31Å; K345-F347 PolarHBondContact O-N 3.05Å; F347-F349 PolarHBondContact O-N 3.08Å; F347-L350 PolarHBondContact O-N 3.33Å; F347-W377 AromaticContact CD1-CH2 3.88Å; F347-W377 HydrophobicContact CD1-CH2 3.88Å; F347-W377 HydrophobicContact CD1-CZ2 4.07Å; F347-W377 AromaticContact CE1-CH2 3.73Å; F347-W377 HydrophobicContact CE1-CH2 3.73Å; F347-W377 AromaticContact CE1-CZ2 3.54Å; F347-W377 HydrophobicContact CE1-CZ2 3.54Å; F347-W377 HydrophobicContact CE2-CZ2 4.13Å; F347-W377 HydrophobicContact CG-CH2 4.48Å; F347-W377 HydrophobicContact CZ-CH2 4.22Å; F347-W377 AromaticContact CZ-CZ2 3.57Å; F347-W377 HydrophobicContact CZ-CZ2 3.57Å; F347-M381 HydrophobicContact CE1-CG 4.48Å; F347-M381 HydrophobicContact CE1-SD 4.09Å; F347-M381 HydrophobicContact CZ-SD 3.91Å; F347-I386 HydrophobicContact CE1-CG2 4Å; F347-I386 HydrophobicContact CZ-CG2 4.48Å; F347-L398 HydrophobicContact CB-CD2 4.17Å; F347-L398 HydrophobicContact CD1-CD2 4.13Å; F347-L406 HydrophobicContact CD1-CB 4.38Å; F347-L406 HydrophobicContact CD1-CD1 4.29Å; F347-L406 HydrophobicContact CD2-CB 4.27Å; F347-L406 HydrophobicContact CE1-CD1 4.22Å; F347-L406 HydrophobicContact CG-CB 4.14Å
348D92.1Very high91.4Very high33 Ų3343 Ų4318%0.17621%0.206CC..G310 helixtrans-71.4-19-178-60.2-12.6000111.7K345 L346 R407 S408K345-D348 WeakPolarHBondContact O-CB 3.46Å; K345-D348 PolarHBondContact O-N 3.5Å; L346-D348 PolarHBondContact O-N 2.83Å; D348-R407 PolarHBondContact O-NH1 3.02Å; D348-R407 WeakPolarHBondContact OD1-CA 3.26Å; D348-R407 VanDerWaalsContact OD1-CB 3.26Å; D348-R407 WeakPolarHBondContact OD1-CB 3.46Å; D348-S408 PolarHBondContact OD1-N 2.94Å; D348-S408 WeakPolarHBondContact OD2-CB 3.49Å; D348-S408 PolarHBondContact OD2-OG 3.22Å
349F93.9Very high91.7Very high56 Ų5645.7 Ų45.725%0.24622%0.222CC..G310 helixtrans-99.1-1.5-177.1-60-78.1000114.5K345 L346 F347 Q358 V363 R366 A367K345-F349 WeakPolarHBondContact O-CD2 3.3Å; K345-F349 WeakPolarHBondContact O-CE2 3.16Å; L346-F349 PolarHBondContact O-N 3.47Å; F347-F349 PolarHBondContact O-N 3.08Å; F349-Q358 PolarHBondContact O-OE1 3.44Å; F349-V363 HydrophobicContact CB-CG1 4.31Å; F349-R366 HydrophobicContact CD1-CB 3.79Å; F349-R366 HydrophobicContact CE1-CB 4.43Å; F349-R366 WeakPolarHBondContact CE1-O 3.42Å; F349-R366 HydrophobicContact CG-CB 4.46Å; F349-R366 PolarHBondContact O-NH1 2.94Å; F349-A367 HydrophobicContact CD1-CB 4.44Å; F349-A367 HydrophobicContact CD2-CB 3.59Å; F349-A367 HydrophobicContact CE1-CB 4.49Å; F349-A367 HydrophobicContact CE2-CB 3.66Å; F349-A367 HydrophobicContact CG-CB 4Å; F349-A367 HydrophobicContact CZ-CB 4.13Å
350L94.3Very high92.1Very high1 Ų146.3 Ų46.31%0.00523%0.227CC..  trans-92.3138.1178.5-74.8169.9000111.9F347 V363 W377 L378 V387 L398 R403F347-L350 PolarHBondContact O-N 3.33Å; L350-V363 HydrophobicContact CD2-CG2 3.74Å; L350-W377 HydrophobicContact CD1-CH2 4.31Å; L350-W377 HydrophobicContact CD1-CZ3 4.39Å; L350-L378 HydrophobicContact CD1-CD2 4.32Å; L350-L378 HydrophobicContact CD2-CD2 4.04Å; L350-V387 HydrophobicContact CD1-CG1 4.33Å; L350-V387 HydrophobicContact CD1-CG2 3.68Å; L350-L398 HydrophobicContact CB-CB 3.92Å; L350-L398 HydrophobicContact CD1-CB 4.13Å; L350-R403 PolarHBondContact O-NH2 2.93Å
351E92.9Very high92.4Very high53 Ų5347.8 Ų47.825%0.24824%0.242CC..  trans-75.7168.4174.9-61.3-52.6150.900113.5D356 Q358 R366 W397 L398 R403E351-D356 HydrophobicContact CB-CB 3.7Å; E351-D356 VanDerWaalsContact CB-O 3.25Å; E351-D356 WeakPolarHBondContact CB-O 3.45Å; E351-D356 HydrophobicContact CG-CB 4.02Å; E351-D356 VanDerWaalsContact CG-O 3.28Å; E351-D356 WeakPolarHBondContact CG-O 3.37Å; E351-Q358 HydrophobicContact CG-CG 3.93Å; E351-R366 IonicContact OE1-CZ 3.79Å; E351-R366 IonicContact OE1-NH1 2.73Å; E351-R366 PolarHBondContact OE1-NH1 2.95Å; E351-R366 IonicContact OE1-NH2 3.02Å; E351-R366 PolarHBondContact OE1-NH2 3.04Å; E351-W397 CarbonylContact O-C 3.5Å; E351-W397 WeakPolarHBondContact O-CA 3.34Å; E351-W397 WeakPolarHBondContact O-CB 3.45Å; E351-L398 PolarHBondContact O-N 2.54Å; E351-R403 IonicContact OE2-NH2 3.54Å
352S90.7Very high92.7Very high32 Ų3249.6 Ų49.622%0.22426%0.257CS..SBendtrans-97.7-13.1-169.744.60000115.2L398 R403S352-L398 WeakPolarHBondContact CA-O 3.48Å; S352-R403 VanDerWaalsContact CB-CZ 3.44Å
353T89.9Confident93.1Very high55 Ų5548.3 Ų48.334%0.33725%0.252SS..SBendtrans-130.4154-174.583.50000110.3K355 D356 G357 W397T353-K355 PolarHBondContact O-N 3.26Å; T353-K355 PolarHBondContact OG1-N 2.87Å; T353-D356 CarbonylContact O-C 3.52Å; T353-D356 PolarHBondContact O-N 3.32Å; T353-D356 PolarHBondContact OG1-N 3.27Å; T353-D356 PolarHBondContact OG1-OD2 3.3Å; T353-G357 PolarHBondContact O-N 2.89Å; T353-W397 WeakPolarHBondContact O-CB 3.44Å
354E89.7Confident93.5Very high116 Ų11644.5 Ų44.554%0.54224%0.238SC..G310 helixtrans-57.4-39.1173.4-178.9178.3-173.300112.1D356 G357 W397E354-D356 PolarHBondContact O-N 3.01Å; E354-G357 PolarHBondContact O-N 2.89Å; E354-W397 HydrophobicContact CB-CD2 4.13Å; E354-W397 HydrophobicContact CB-CE3 4.12Å; E354-W397 HydrophobicContact CB-CH2 3.76Å; E354-W397 HydrophobicContact CB-CZ2 3.75Å; E354-W397 HydrophobicContact CB-CZ3 3.93Å; E354-W397 HydrophobicContact CG-CE3 4.29Å; E354-W397 HydrophobicContact CG-CH2 3.66Å; E354-W397 HydrophobicContact CG-CZ2 4.17Å; E354-W397 HydrophobicContact CG-CZ3 3.7Å
355K91Very high93.7Very high190 Ų19049.1 Ų49.183%0.82627%0.27SS*.G310 helixtrans-58-37.3178.9-176.2-177.2175-173.30111.9T353T353-K355 PolarHBondContact O-N 3.26Å; T353-K355 PolarHBondContact OG1-N 2.87Å
356D92.4Very high93.9Very high82 Ų8249.2 Ų49.244%0.43927%0.267SS..G310 helixtrans-96.86.9179.9-51.3-52.3000112.1E351 T353 E354 Q358E351-D356 HydrophobicContact CB-CB 3.7Å; E351-D356 VanDerWaalsContact CB-O 3.25Å; E351-D356 WeakPolarHBondContact CB-O 3.45Å; E351-D356 HydrophobicContact CG-CB 4.02Å; E351-D356 VanDerWaalsContact CG-O 3.28Å; E351-D356 WeakPolarHBondContact CG-O 3.37Å; T353-D356 CarbonylContact O-C 3.52Å; T353-D356 PolarHBondContact O-N 3.32Å; T353-D356 PolarHBondContact OG1-N 3.27Å; T353-D356 PolarHBondContact OG1-OD2 3.3Å; E354-D356 PolarHBondContact O-N 3.01Å; D356-Q358 WeakPolarHBondContact O-CG 3.34Å
357G93.3Very high93.8Very high11 Ų1150 Ų5011%0.11327%0.274CS..  trans-56141.4-178.700000112.3T353 E354 Y396T353-G357 PolarHBondContact O-N 2.89Å; E354-G357 PolarHBondContact O-N 2.89Å; G357-Y396 WeakPolarHBondContact CA-O 3.25Å
358Q95.9Very high93.8Very high28 Ų2852.1 Ų52.113%0.13130%0.296CS..EExtended strand (participates in β ladder)trans-115.8147-168.4-59.7-169.9-65.500111.6F349 E351 D356 A362 V363 K395 Y396F349-Q358 PolarHBondContact O-OE1 3.44Å; E351-Q358 HydrophobicContact CG-CG 3.93Å; D356-Q358 WeakPolarHBondContact O-CG 3.34Å; Q358-A362 HydrophobicContact CB-CB 4.27Å; Q358-V363 HydrophobicContact CB-CG2 3.84Å; Q358-K395 CarbonylContact O-C 3.48Å; Q358-K395 WeakPolarHBondContact O-CA 3.2Å; Q358-Y396 PolarHBondContact N-O 3.42Å; Q358-Y396 WeakPolarHBondContact O-CD2 3.2Å; Q358-Y396 PolarHBondContact O-N 2.93Å
359T97.4Very high93.9Very high56 Ų5652.8 Ų52.834%0.34430%0.296SS..EExtended strand (participates in β ladder)trans-71.4156.6171.264.30000110.8A361 A362 V363 T394 K395T359-A361 PolarHBondContact O-N 3.23Å; T359-A362 PolarHBondContact O-N 3.13Å; T359-A362 PolarHBondContact OG1-N 2.86Å; T359-V363 PolarHBondContact O-N 3.46Å; T359-T394 WeakPolarHBondContact CA-O 3.16Å; T359-K395 HydrophobicContact CG2-CG 4.41Å
360S96.4Very high93.8Very high13 Ų1353.4 Ų53.49%0.09130%0.299CS..Hα-helixtrans-53.4-37.6172.453.40000112.2V363 A364 E371S360-V363 PolarHBondContact O-N 3.35Å; S360-A364 WeakPolarHBondContact O-CB 3.44Å; S360-A364 PolarHBondContact O-N 3.46Å; S360-E371 VanDerWaalsContact CB-OE1 3.27Å; S360-E371 WeakPolarHBondContact CB-OE1 3.43Å; S360-E371 PolarHBondContact OG-OE1 2.89Å
361A96.5Very high93.7Very high52 Ų5255.5 Ų55.543%0.4331%0.309SS..Hα-helixtrans-63.1-42.2175.100000113.3T359 S365 E371T359-A361 PolarHBondContact O-N 3.23Å; A361-S365 VanDerWaalsContact O-CB 3.29Å; A361-S365 WeakPolarHBondContact O-CB 3.49Å; A361-S365 PolarHBondContact O-N 3.27Å; A361-E371 VanDerWaalsContact CA-CG 3.43Å; A361-E371 HydrophobicContact CB-CG 3.91Å
362A96.7Very high93.6Very high37 Ų3758.7 Ų58.731%0.30632%0.318SS..Hα-helixtrans-66.5-45.6177.400000111.6Q358 T359 S365 R366Q358-A362 HydrophobicContact CB-CB 4.27Å; T359-A362 PolarHBondContact O-N 3.13Å; T359-A362 PolarHBondContact OG1-N 2.86Å; A362-S365 PolarHBondContact O-N 3.06Å; A362-R366 WeakPolarHBondContact O-CG 3.49Å; A362-R366 PolarHBondContact O-N 2.94Å
363V96.2Very high93.6Very high0 Ų060.2 Ų60.20%032%0.32CS..Hα-helixtrans-60.7-48.2176.8178.30000110.6L346 F349 L350 Q358 T359 S360 S365 R366 A367 V374L346-V363 HydrophobicContact CD2-CG1 4.46Å; F349-V363 HydrophobicContact CB-CG1 4.31Å; L350-V363 HydrophobicContact CD2-CG2 3.74Å; Q358-V363 HydrophobicContact CB-CG2 3.84Å; T359-V363 PolarHBondContact O-N 3.46Å; S360-V363 PolarHBondContact O-N 3.35Å; V363-S365 PolarHBondContact O-N 3.23Å; V363-R366 PolarHBondContact O-N 2.77Å; V363-A367 WeakPolarHBondContact O-CB 3.27Å; V363-A367 PolarHBondContact O-N 3.33Å; V363-V374 HydrophobicContact CB-CG1 4.2Å; V363-V374 HydrophobicContact CG1-CG1 3.93Å
364A95.2Very high93.8Very high1 Ų157.6 Ų57.61%0.00830%0.304CS..Hα-helixtrans-61.7-42.9179.700000112.7S360 A367 G368 Y369 E371 V374S360-A364 WeakPolarHBondContact O-CB 3.44Å; S360-A364 PolarHBondContact O-N 3.46Å; A364-A367 PolarHBondContact O-N 2.81Å; A364-G368 PolarHBondContact O-N 3.42Å; A364-Y369 PolarHBondContact O-N 3.17Å; A364-E371 VanDerWaalsContact CB-CA 3.48Å; A364-E371 HydrophobicContact CB-CB 3.82Å; A364-E371 HydrophobicContact CB-CG 4.17Å; A364-V374 HydrophobicContact CB-CB 3.94Å; A364-V374 HydrophobicContact CB-CG1 4.19Å; A364-V374 HydrophobicContact CB-CG2 3.77Å
365S94.8Very high94Very high102 Ų10257.3 Ų57.371%0.71330%0.297SS*.Hα-helixtrans-63.4-40.6176.8-174.10000112.3A361 A362 V363A361-S365 VanDerWaalsContact O-CB 3.29Å; A361-S365 WeakPolarHBondContact O-CB 3.49Å; A361-S365 PolarHBondContact O-N 3.27Å; A362-S365 PolarHBondContact O-N 3.06Å; V363-S365 PolarHBondContact O-N 3.23Å
366R94.7Very high94.1Very high115 Ų11553.4 Ų53.443%0.43428%0.282SS..Hα-helixtrans-67.7-40177.1-71.5173.670.5177.514.7112F349 E351 A362 V363 G368F349-R366 HydrophobicContact CD1-CB 3.79Å; F349-R366 HydrophobicContact CE1-CB 4.43Å; F349-R366 WeakPolarHBondContact CE1-O 3.42Å; F349-R366 HydrophobicContact CG-CB 4.46Å; F349-R366 PolarHBondContact O-NH1 2.94Å; E351-R366 IonicContact OE1-CZ 3.79Å; E351-R366 IonicContact OE1-NH1 2.73Å; E351-R366 PolarHBondContact OE1-NH1 2.95Å; E351-R366 IonicContact OE1-NH2 3.02Å; E351-R366 PolarHBondContact OE1-NH2 3.04Å; A362-R366 WeakPolarHBondContact O-CG 3.49Å; A362-R366 PolarHBondContact O-N 2.94Å; V363-R366 PolarHBondContact O-N 2.77Å; R366-G368 VanDerWaalsContact C-N 3.35Å
367A93.1Very high94.3Very high16 Ų1649.9 Ų49.913%0.13226%0.263CS..Hα-helixtrans-80.7-14.6-177.900000113.5L346 F349 V363 A364 Y369L346-A367 HydrophobicContact CD2-CB 3.96Å; F349-A367 HydrophobicContact CD1-CB 4.44Å; F349-A367 HydrophobicContact CD2-CB 3.59Å; F349-A367 HydrophobicContact CE1-CB 4.49Å; F349-A367 HydrophobicContact CE2-CB 3.66Å; F349-A367 HydrophobicContact CG-CB 4Å; F349-A367 HydrophobicContact CZ-CB 4.13Å; V363-A367 WeakPolarHBondContact O-CB 3.27Å; V363-A367 PolarHBondContact O-N 3.33Å; A364-A367 PolarHBondContact O-N 2.81Å; A367-Y369 HydrophobicContact CB-CD2 3.42Å; A367-Y369 VanDerWaalsContact CB-CD2 3.42Å; A367-Y369 HydrophobicContact CB-CE2 3.81Å; A367-Y369 HydrophobicContact CB-CG 4.39Å
368G93.3Very high94.4Very high45 Ų4549.4 Ų49.446%0.46426%0.257SS..THydrogen-bonded Turntrans77.525.7-177.600000114A364 R366A364-G368 PolarHBondContact O-N 3.42Å; R366-G368 VanDerWaalsContact C-N 3.35Å
369Y93.9Very high94.3Very high47 Ų4749.4 Ų49.418%0.18427%0.265CS..BIsolated β-bridgetrans-113.8164.3-175.2-64-50.8000113F127 L344 L346 A364 A367 E371F127-Y369 HydrophobicContact CB-CD1 4Å; F127-Y369 HydrophobicContact CB-CG 4.3Å; F127-Y369 CarbonylContact O-C 3.55Å; F127-Y369 WeakPolarHBondContact O-CA 3.44Å; F127-Y369 VanDerWaalsContact O-CB 3.23Å; F127-Y369 WeakPolarHBondContact O-CB 3.41Å; F127-Y369 VanDerWaalsContact O-CD1 3.31Å; F127-Y369 WeakPolarHBondContact O-CD1 3.43Å; L344-Y369 HydrophobicContact CB-CE2 3.89Å; L344-Y369 HydrophobicContact CD2-CE1 3.87Å; L344-Y369 HydrophobicContact CD2-CE2 4.17Å; L344-Y369 WeakPolarHBondContact O-CE2 3.46Å; L344-Y369 PolarHBondContact O-OH 3.12Å; L346-Y369 HydrophobicContact CD2-CD2 3.72Å; L346-Y369 HydrophobicContact CD2-CE2 4.12Å; L346-Y369 HydrophobicContact CG-CD2 4.49Å; A364-Y369 PolarHBondContact O-N 3.17Å; A367-Y369 HydrophobicContact CB-CD2 3.42Å; A367-Y369 VanDerWaalsContact CB-CD2 3.42Å; A367-Y369 HydrophobicContact CB-CE2 3.81Å; A367-Y369 HydrophobicContact CB-CG 4.39Å; Y369-E371 PolarHBondContact O-N 3.2Å
370K90.8Very high94.1Very high70 Ų7048.4 Ų48.430%0.30426%0.263SS..  trans-72.9118.1177-173164.5-174.3168.10110.8F127 Q128 R372 Y373 V374F127-K370 PolarHBondContact O-N 3.45Å; Q128-K370 WeakPolarHBondContact O-CB 3.43Å; K370-R372 VanDerWaalsContact C-N 3.28Å; K370-R372 PolarHBondContact O-N 2.89Å; K370-R372 VanDerWaalsContact O-N 3.14Å; K370-Y373 HydrophobicContact CB-CD2 4.08Å; K370-Y373 HydrophobicContact CD-CD2 4Å; K370-Y373 HydrophobicContact CD-CE2 4.05Å; K370-Y373 HydrophobicContact CG-CD2 4.06Å; K370-Y373 PolarHBondContact O-N 3.04Å; K370-V374 PolarHBondContact O-N 2.86Å
371E93.4Very high94Very high45 Ų4547.8 Ų47.821%0.2126%0.259CS..Hα-helixtrans-52.1-41.5-173-173.9-75.715400114.1S360 A361 A364 Y369 Y373 V374 R375S360-E371 VanDerWaalsContact CB-OE1 3.27Å; S360-E371 WeakPolarHBondContact CB-OE1 3.43Å; S360-E371 PolarHBondContact OG-OE1 2.89Å; A361-E371 VanDerWaalsContact CA-CG 3.43Å; A361-E371 HydrophobicContact CB-CG 3.91Å; A364-E371 VanDerWaalsContact CB-CA 3.48Å; A364-E371 HydrophobicContact CB-CB 3.82Å; A364-E371 HydrophobicContact CB-CG 4.17Å; Y369-E371 PolarHBondContact O-N 3.2Å; E371-Y373 VanDerWaalsContact C-N 3.27Å; E371-Y373 PolarHBondContact O-N 3.37Å; E371-V374 PolarHBondContact O-N 3.08Å; E371-V374 VanDerWaalsContact O-N 3.15Å; E371-R375 WeakPolarHBondContact O-CB 3.3Å; E371-R375 PolarHBondContact O-N 3.48Å; E371-R375 IonicContact OE1-CZ 3.51Å; E371-R375 VanDerWaalsContact OE1-CZ 3.24Å; E371-R375 IonicContact OE1-NE 2.59Å; E371-R375 PolarHBondContact OE1-NE 2.94Å; E371-R375 IonicContact OE1-NH2 2.7Å; E371-R375 PolarHBondContact OE1-NH2 3.37Å; E371-R375 IonicContact OE2-CZ 3.79Å; E371-R375 IonicContact OE2-NE 3.42Å; E371-R375 IonicContact OE2-NH2 3.69Å; E371-R375 PolarHBondContact OE2-NH2 3.1Å
372R90.1Very high94Very high119 Ų11947.2 Ų47.245%0.44925%0.249SC..Hα-helixtrans-57.5-40.2-179.3-178.469.4-162.6106.3-4112.7K370 E376K370-R372 VanDerWaalsContact C-N 3.28Å; K370-R372 PolarHBondContact O-N 2.89Å; K370-R372 VanDerWaalsContact O-N 3.14Å; R372-E376 IonicContact CZ-OE1 3.24Å; R372-E376 VanDerWaalsContact NH1-CG 3.34Å; R372-E376 IonicContact NH1-OE1 3.26Å; R372-E376 PolarHBondContact NH1-OE1 3.19Å; R372-E376 VanDerWaalsContact NH2-CD 3.28Å; R372-E376 IonicContact NH2-OE1 2.95Å; R372-E376 PolarHBondContact NH2-OE1 2.96Å; R372-E376 PolarHBondContact O-N 3.3Å
373Y90.9Very high93.7Very high65 Ų6550.6 Ų50.626%0.25527%0.27SS..Hα-helixtrans-72.7-41.3178.7-76.6-93.6000111.3C126 F127 P132 K370 E371 R375 E376 W377C126-Y373 HydrophobicContact CB-CD1 4.2Å; C126-Y373 HydrophobicContact CB-CE1 3.45Å; C126-Y373 VanDerWaalsContact CB-CE1 3.45Å; C126-Y373 HydrophobicContact CB-CE2 4.32Å; C126-Y373 WeakPolarHBondContact O-CD2 3.27Å; C126-Y373 VanDerWaalsContact O-CE2 3.32Å; C126-Y373 WeakPolarHBondContact O-CE2 3.49Å; F127-Y373 HydrophobicContact CD2-CD1 4.02Å; F127-Y373 HydrophobicContact CD2-CG 4.32Å; F127-Y373 AromaticContact CE2-CD1 3.97Å; F127-Y373 HydrophobicContact CE2-CD1 3.97Å; F127-Y373 HydrophobicContact CE2-CG 4.44Å; F127-Y373 HydrophobicContact CG-CG 4.46Å; P132-Y373 WeakPolarHBondContact CD-OH 3.28Å; K370-Y373 HydrophobicContact CB-CD2 4.08Å; K370-Y373 HydrophobicContact CD-CD2 4Å; K370-Y373 HydrophobicContact CD-CE2 4.05Å; K370-Y373 HydrophobicContact CG-CD2 4.06Å; K370-Y373 PolarHBondContact O-N 3.04Å; E371-Y373 VanDerWaalsContact C-N 3.27Å; E371-Y373 PolarHBondContact O-N 3.37Å; Y373-R375 VanDerWaalsContact C-N 3.29Å; Y373-R375 PolarHBondContact O-N 3.32Å; Y373-E376 PolarHBondContact O-N 3.28Å; Y373-W377 WeakPolarHBondContact O-CB 2.91Å; Y373-W377 PolarHBondContact O-N 3.42Å
374V94.4Very high93.4Very high0 Ų051 Ų510%027%0.274CS..Hα-helixtrans-61.5-39.8174.9176.60000111F127 L346 V363 A364 K370 E371 W377 L378F127-V374 HydrophobicContact CD1-CG2 4.2Å; F127-V374 HydrophobicContact CE1-CG2 4.35Å; L346-V374 HydrophobicContact CD2-CG1 4.45Å; L346-V374 HydrophobicContact CD2-CG2 4.15Å; V363-V374 HydrophobicContact CB-CG1 4.2Å; V363-V374 HydrophobicContact CG1-CG1 3.93Å; A364-V374 HydrophobicContact CB-CB 3.94Å; A364-V374 HydrophobicContact CB-CG1 4.19Å; A364-V374 HydrophobicContact CB-CG2 3.77Å; K370-V374 PolarHBondContact O-N 2.86Å; E371-V374 PolarHBondContact O-N 3.08Å; E371-V374 VanDerWaalsContact O-N 3.15Å; V374-W377 PolarHBondContact O-N 2.89Å; V374-L378 HydrophobicContact CG1-CD1 3.85Å; V374-L378 HydrophobicContact CG1-CG 4.37Å; V374-L378 WeakPolarHBondContact O-CB 3.28Å; V374-L378 VanDerWaalsContact O-CG 3.27Å; V374-L378 WeakPolarHBondContact O-CG 3.38Å; V374-L378 PolarHBondContact O-N 2.96Å
375R94.6Very high93.3Very high109 Ų10951.8 Ų51.841%0.41128%0.282SS..Hα-helixtrans-62.4-46.4176.8-163.8-170.4-49.9-176.32.6112.5E371 Y373 W377 L378 G379E371-R375 WeakPolarHBondContact O-CB 3.3Å; E371-R375 PolarHBondContact O-N 3.48Å; E371-R375 IonicContact OE1-CZ 3.51Å; E371-R375 VanDerWaalsContact OE1-CZ 3.24Å; E371-R375 IonicContact OE1-NE 2.59Å; E371-R375 PolarHBondContact OE1-NE 2.94Å; E371-R375 IonicContact OE1-NH2 2.7Å; E371-R375 PolarHBondContact OE1-NH2 3.37Å; E371-R375 IonicContact OE2-CZ 3.79Å; E371-R375 IonicContact OE2-NE 3.42Å; E371-R375 IonicContact OE2-NH2 3.69Å; E371-R375 PolarHBondContact OE2-NH2 3.1Å; Y373-R375 VanDerWaalsContact C-N 3.29Å; Y373-R375 PolarHBondContact O-N 3.32Å; R375-W377 VanDerWaalsContact C-N 3.35Å; R375-L378 PolarHBondContact O-N 3.21Å; R375-G379 PolarHBondContact O-N 3.14Å
376E92.6Very high93.2Very high109 Ų10947 Ų4751%0.50925%0.248SC..Hα-helixtrans-62.7-43.1175.7-73.6-53.6118.500112R372 Y373 L378 G379 A380R372-E376 IonicContact CZ-OE1 3.24Å; R372-E376 VanDerWaalsContact NH1-CG 3.34Å; R372-E376 IonicContact NH1-OE1 3.26Å; R372-E376 PolarHBondContact NH1-OE1 3.19Å; R372-E376 VanDerWaalsContact NH2-CD 3.28Å; R372-E376 IonicContact NH2-OE1 2.95Å; R372-E376 PolarHBondContact NH2-OE1 2.96Å; R372-E376 PolarHBondContact O-N 3.3Å; Y373-E376 PolarHBondContact O-N 3.28Å; E376-L378 PolarHBondContact O-N 3.02Å; E376-G379 PolarHBondContact O-N 3.39Å; E376-A380 PolarHBondContact O-N 3.04Å
377W95.3Very high93.2Very high8 Ų841.5 Ų41.53%0.0323%0.228CC..Hα-helixtrans-61.6-43.6176.217580.1000112.1F127 A337 G341 L346 F347 L350 Y373 V374 R375 G379 A380 M381F127-W377 HydrophobicContact CE1-CB 4.09Å; F127-W377 HydrophobicContact CZ-CB 3.96Å; A337-W377 PolarHBondContact O-NE1 3.18Å; G341-W377 VanDerWaalsContact CA-CE2 3.47Å; G341-W377 VanDerWaalsContact CA-CZ2 3.44Å; G341-W377 VanDerWaalsContact CA-NE1 3.31Å; L346-W377 HydrophobicContact CB-CD2 4.49Å; L346-W377 HydrophobicContact CB-CE3 4.11Å; L346-W377 HydrophobicContact CB-CH2 3.47Å; L346-W377 VanDerWaalsContact CB-CH2 3.47Å; L346-W377 HydrophobicContact CB-CZ2 3.89Å; L346-W377 HydrophobicContact CB-CZ3 3.59Å; L346-W377 HydrophobicContact CD1-CD2 3.54Å; L346-W377 HydrophobicContact CD1-CE3 3.57Å; L346-W377 HydrophobicContact CD1-CG 4Å; L346-W377 HydrophobicContact CD1-CH2 4.33Å; L346-W377 HydrophobicContact CD1-CZ2 4.3Å; L346-W377 HydrophobicContact CD1-CZ3 3.99Å; L346-W377 HydrophobicContact CG-CE3 4.38Å; L346-W377 HydrophobicContact CG-CZ3 4.33Å; F347-W377 AromaticContact CD1-CH2 3.88Å; F347-W377 HydrophobicContact CD1-CH2 3.88Å; F347-W377 HydrophobicContact CD1-CZ2 4.07Å; F347-W377 AromaticContact CE1-CH2 3.73Å; F347-W377 HydrophobicContact CE1-CH2 3.73Å; F347-W377 AromaticContact CE1-CZ2 3.54Å; F347-W377 HydrophobicContact CE1-CZ2 3.54Å; F347-W377 HydrophobicContact CE2-CZ2 4.13Å; F347-W377 HydrophobicContact CG-CH2 4.48Å; F347-W377 HydrophobicContact CZ-CH2 4.22Å; F347-W377 AromaticContact CZ-CZ2 3.57Å; F347-W377 HydrophobicContact CZ-CZ2 3.57Å; L350-W377 HydrophobicContact CD1-CH2 4.31Å; L350-W377 HydrophobicContact CD1-CZ3 4.39Å; Y373-W377 WeakPolarHBondContact O-CB 2.91Å; Y373-W377 PolarHBondContact O-N 3.42Å; V374-W377 PolarHBondContact O-N 2.89Å; R375-W377 VanDerWaalsContact C-N 3.35Å; W377-G379 VanDerWaalsContact C-N 3.33Å; W377-G379 PolarHBondContact O-N 2.99Å; W377-A380 PolarHBondContact O-N 2.86Å; W377-M381 HydrophobicContact CD2-CG 3.99Å; W377-M381 HydrophobicContact CE3-CG 4.41Å; W377-M381 HydrophobicContact CH2-CG 4.01Å; W377-M381 HydrophobicContact CZ2-CG 3.53Å; W377-M381 HydrophobicContact CZ2-SD 4.04Å; W377-M381 HydrophobicContact CZ3-CG 4.43Å; W377-M381 WeakPolarHBondContact O-CG 3.37Å; W377-M381 PolarHBondContact O-N 2.91Å
378L96.5Very high93.3Very high0 Ų043.7 Ų43.70%024%0.235CC..Hα-helixtrans-60.4-43.2174.4-75.1163.9000111.2L350 V374 R375 E376 A380 M381 V382 V387 Y396L350-L378 HydrophobicContact CD1-CD2 4.32Å; L350-L378 HydrophobicContact CD2-CD2 4.04Å; V374-L378 HydrophobicContact CG1-CD1 3.85Å; V374-L378 HydrophobicContact CG1-CG 4.37Å; V374-L378 WeakPolarHBondContact O-CB 3.28Å; V374-L378 VanDerWaalsContact O-CG 3.27Å; V374-L378 WeakPolarHBondContact O-CG 3.38Å; V374-L378 PolarHBondContact O-N 2.96Å; R375-L378 PolarHBondContact O-N 3.21Å; E376-L378 PolarHBondContact O-N 3.02Å; L378-A380 VanDerWaalsContact C-N 3.33Å; L378-A380 PolarHBondContact O-N 3.3Å; L378-M381 PolarHBondContact O-N 2.93Å; L378-M381 VanDerWaalsContact O-N 3.16Å; L378-V382 VanDerWaalsContact O-CG2 3.31Å; L378-V382 WeakPolarHBondContact O-CG2 3.47Å; L378-V382 PolarHBondContact O-N 2.83Å; L378-V387 HydrophobicContact CD2-CG1 4.16Å; L378-Y396 HydrophobicContact CB-CD1 4.04Å; L378-Y396 HydrophobicContact CB-CD2 4.47Å; L378-Y396 HydrophobicContact CB-CE1 3.97Å; L378-Y396 HydrophobicContact CB-CE2 4.4Å; L378-Y396 HydrophobicContact CB-CG 4.3Å; L378-Y396 HydrophobicContact CD1-CD2 3.63Å; L378-Y396 HydrophobicContact CD1-CE2 3.83Å; L378-Y396 HydrophobicContact CD1-CG 4.03Å; L378-Y396 HydrophobicContact CD2-CD1 4.3Å; L378-Y396 HydrophobicContact CD2-CD2 4.41Å; L378-Y396 HydrophobicContact CD2-CG 3.98Å; L378-Y396 HydrophobicContact CG-CD2 4.38Å; L378-Y396 HydrophobicContact CG-CG 4.32Å
379G93.6Very high93.4Very high29 Ų2943.6 Ų43.630%0.29923%0.227SC..Hα-helixtrans-55.9-46.3174.100000112.5R375 E376 W377 M381 V382 C383R375-G379 PolarHBondContact O-N 3.14Å; E376-G379 PolarHBondContact O-N 3.39Å; W377-G379 VanDerWaalsContact C-N 3.33Å; W377-G379 PolarHBondContact O-N 2.99Å; G379-M381 PolarHBondContact O-N 2.93Å; G379-V382 PolarHBondContact O-N 3.48Å; G379-C383 WeakPolarHBondContact O-CB 3.31Å; G379-C383 PolarHBondContact O-N 3.22Å; G379-C383 PolarHBondContact O-SG 3.12Å
380A93Very high93.4Very high35 Ų3542.6 Ų42.629%0.28923%0.225SC..Hα-helixtrans-63.5-40.5175.600000112.6A337 E376 W377 L378 C383 G384A337-A380 HydrophobicContact CB-CB 4.01Å; E376-A380 PolarHBondContact O-N 3.04Å; W377-A380 PolarHBondContact O-N 2.86Å; L378-A380 VanDerWaalsContact C-N 3.33Å; L378-A380 PolarHBondContact O-N 3.3Å; A380-C383 PolarHBondContact O-N 2.88Å; A380-G384 PolarHBondContact O-N 3.18Å
381M95Very high93.4Very high0 Ų045.6 Ų45.60%026%0.255CS..Hα-helixtrans-68.8-33.1177.6-67.7-59.69400113.1V334 A337 L338 F347 W377 L378 G379 G385 I386 V387V334-M381 HydrophobicContact CG1-CE 4.4Å; A337-M381 HydrophobicContact CB-CE 3.37Å; L338-M381 HydrophobicContact CD1-SD 3.88Å; F347-M381 HydrophobicContact CE1-CG 4.48Å; F347-M381 HydrophobicContact CE1-SD 4.09Å; F347-M381 HydrophobicContact CZ-SD 3.91Å; W377-M381 HydrophobicContact CD2-CG 3.99Å; W377-M381 HydrophobicContact CE3-CG 4.41Å; W377-M381 HydrophobicContact CH2-CG 4.01Å; W377-M381 HydrophobicContact CZ2-CG 3.53Å; W377-M381 HydrophobicContact CZ2-SD 4.04Å; W377-M381 HydrophobicContact CZ3-CG 4.43Å; W377-M381 WeakPolarHBondContact O-CG 3.37Å; W377-M381 PolarHBondContact O-N 2.91Å; L378-M381 PolarHBondContact O-N 2.93Å; L378-M381 VanDerWaalsContact O-N 3.16Å; G379-M381 PolarHBondContact O-N 2.93Å; M381-G385 PolarHBondContact O-N 3.2Å; M381-I386 HydrophobicContact CB-CB 4.38Å; M381-I386 WeakPolarHBondContact O-CB 3.14Å; M381-I386 PolarHBondContact O-N 3.16Å; M381-I386 HydrophobicContact SD-CB 4.18Å; M381-I386 HydrophobicContact SD-CG1 4.36Å; M381-I386 HydrophobicContact SD-CG2 4.11Å; M381-V387 HydrophobicContact CB-CB 3.78Å; M381-V387 HydrophobicContact CB-CG2 3.63Å; M381-V387 HydrophobicContact CG-CG2 4.28Å; M381-V387 PolarHBondContact O-N 3.3Å; M381-V387 VanDerWaalsContact O-N 3.12Å
382V95Very high93.2Very high39 Ų3946.6 Ų46.624%0.23627%0.266CS..Hα-helixtrans-69.3-49.2172.9170.70000110.7L378 G379 G384 G385 V387 C389 Y396L378-V382 VanDerWaalsContact O-CG2 3.31Å; L378-V382 WeakPolarHBondContact O-CG2 3.47Å; L378-V382 PolarHBondContact O-N 2.83Å; G379-V382 PolarHBondContact O-N 3.48Å; V382-G384 PolarHBondContact O-N 3.42Å; V382-G385 WeakPolarHBondContact O-CA 3.42Å; V382-G385 PolarHBondContact O-N 2.87Å; V382-V387 WeakPolarHBondContact CA-O 3.43Å; V382-V387 HydrophobicContact CG2-CB 4.33Å; V382-V387 HydrophobicContact CG2-CG1 4.12Å; V382-C389 HydrophobicContact CG1-CB 4.32Å; V382-C389 HydrophobicContact CG2-CB 3.94Å; V382-Y396 HydrophobicContact CG2-CD1 3.8Å; V382-Y396 HydrophobicContact CG2-CE1 4.05Å
383C91.2Very high93.1Very high109 Ų10942.3 Ų42.374%0.73626%0.26SS*.Hα-helixtrans-63.3-31.8177.9-64.40000112.4G379 A380 G385G379-C383 WeakPolarHBondContact O-CB 3.31Å; G379-C383 PolarHBondContact O-N 3.22Å; G379-C383 PolarHBondContact O-SG 3.12Å; A380-C383 PolarHBondContact O-N 2.88Å; C383-G385 PolarHBondContact O-N 2.93Å
384G91Very high93.1Very high8 Ų842.6 Ų42.68%0.08227%0.268CS..THydrogen-bonded Turntrans-72.9-8.6170.900000114.1K16 A380 V382 I386K16-G384 WeakPolarHBondContact CE-O 3.22Å; K16-G384 PolarHBondContact NZ-O 3.34Å; A380-G384 PolarHBondContact O-N 3.18Å; V382-G384 PolarHBondContact O-N 3.42Å; G384-I386 VanDerWaalsContact C-N 3.34Å
385G91.5Very high93.2Very high18 Ų1847 Ų4719%0.18629%0.288CS..THydrogen-bonded Turntrans57.144.2-173.100000112.9K16 M381 V382 C383K16-G385 VanDerWaalsContact NZ-CA 3.29Å; K16-G385 PolarHBondContact NZ-O 3.28Å; M381-G385 PolarHBondContact O-N 3.2Å; V382-G385 WeakPolarHBondContact O-CA 3.42Å; V382-G385 PolarHBondContact O-N 2.87Å; C383-G385 PolarHBondContact O-N 2.93Å
386I92.9Very high93.3Very high0 Ų042.8 Ų42.80%027%0.272CS..SBendtrans-101-51.4174.2-58.3-59.3000109.4F13 L20 L338 F347 M381 G384 L398 R402 L406F13-I386 HydrophobicContact CE2-CD1 3.78Å; F13-I386 HydrophobicContact CZ-CD1 3.87Å; F13-I386 HydrophobicContact CZ-CG2 4.32Å; L20-I386 HydrophobicContact CD1-CD1 3.88Å; L338-I386 HydrophobicContact CD1-CD1 4.32Å; L338-I386 HydrophobicContact CD1-CG1 4.08Å; L338-I386 HydrophobicContact CD1-CG2 3.87Å; F347-I386 HydrophobicContact CE1-CG2 4Å; F347-I386 HydrophobicContact CZ-CG2 4.48Å; M381-I386 HydrophobicContact CB-CB 4.38Å; M381-I386 WeakPolarHBondContact O-CB 3.14Å; M381-I386 PolarHBondContact O-N 3.16Å; M381-I386 HydrophobicContact SD-CB 4.18Å; M381-I386 HydrophobicContact SD-CG1 4.36Å; M381-I386 HydrophobicContact SD-CG2 4.11Å; G384-I386 VanDerWaalsContact C-N 3.34Å; I386-L398 WeakPolarHBondContact O-CD1 3.45Å; I386-R402 WeakPolarHBondContact O-CD 3.11Å; I386-R402 PolarHBondContact O-NH1 3.18Å; I386-L406 HydrophobicContact CG2-CD1 3.63Å
387V95.1Very high93.5Very high1 Ų139 Ų391%0.00625%0.253CS..SBendtrans-101.7145.6175.51700000108.4L350 L378 M381 V382 Y396 W397L350-V387 HydrophobicContact CD1-CG1 4.33Å; L350-V387 HydrophobicContact CD1-CG2 3.68Å; L378-V387 HydrophobicContact CD2-CG1 4.16Å; M381-V387 HydrophobicContact CB-CB 3.78Å; M381-V387 HydrophobicContact CB-CG2 3.63Å; M381-V387 HydrophobicContact CG-CG2 4.28Å; M381-V387 PolarHBondContact O-N 3.3Å; M381-V387 VanDerWaalsContact O-N 3.12Å; V382-V387 WeakPolarHBondContact CA-O 3.43Å; V382-V387 HydrophobicContact CG2-CB 4.33Å; V382-V387 HydrophobicContact CG2-CG1 4.12Å; V387-Y396 HydrophobicContact CG1-CD1 4.41Å; V387-W397 WeakPolarHBondContact CG1-O 3.22Å
388E95.8Very high93.4Very high61 Ų6138.6 Ų38.629%0.28525%0.251SS..EExtended strand (participates in β ladder)trans-96152.7174-60.9-61.3150.900110Y396 W397 P399 R402E388-Y396 VanDerWaalsContact O-CA 3.27Å; E388-Y396 WeakPolarHBondContact O-CA 3.31Å; E388-W397 HydrophobicContact CB-CD2 3.7Å; E388-W397 HydrophobicContact CB-CE3 4.18Å; E388-W397 HydrophobicContact CB-CG 4.27Å; E388-W397 HydrophobicContact CB-CH2 3.85Å; E388-W397 HydrophobicContact CB-CZ2 3.33Å; E388-W397 HydrophobicContact CB-CZ3 4.26Å; E388-W397 HydrophobicContact CG-CZ2 4.03Å; E388-W397 PolarHBondContact N-O 2.68Å; E388-W397 PolarHBondContact O-N 3.22Å; E388-W397 VanDerWaalsContact O-N 3.07Å; E388-P399 HydrophobicContact CG-CG 3.59Å; E388-R402 IonicContact OE1-CZ 3.96Å; E388-R402 IonicContact OE1-NH1 3.2Å; E388-R402 PolarHBondContact OE1-NH1 3.31Å; E388-R402 IonicContact OE1-NH2 3.63Å; E388-R402 PolarHBondContact OE1-NH2 3.45Å
389C95.6Very high93.2Very high43 Ų4339.1 Ų39.129%0.29126%0.255SS..EExtended strand (participates in β ladder)trans-129.5156.8169.673.60000111.6V382 K395 Y396 W397V382-C389 HydrophobicContact CG1-CB 4.32Å; V382-C389 HydrophobicContact CG2-CB 3.94Å; C389-K395 CarbonylContact C-O 3.57Å; C389-K395 WeakPolarHBondContact CA-O 2.92Å; C389-Y396 HydrophobicContact CB-CD1 3.82Å; C389-Y396 HydrophobicContact CB-CE1 4.02Å; C389-W397 WeakPolarHBondContact O-CH2 3.01Å
390D93.8Very high93Very high26 Ų2644 Ų4414%0.13927%0.269CS..  trans-72170.1175.474.1-34.1000110.7S392 G393 T394 K395 W397D390-S392 PolarHBondContact O-N 3.26Å; D390-S392 VanDerWaalsContact O-N 3.08Å; D390-S392 PolarHBondContact OD1-OG 2.9Å; D390-S392 VanDerWaalsContact OD1-OG 3.07Å; D390-S392 PolarHBondContact OD2-OG 3.29Å; D390-G393 PolarHBondContact O-N 3.46Å; D390-G393 PolarHBondContact OD1-N 3.11Å; D390-G393 VanDerWaalsContact OD1-N 3.1Å; D390-T394 PolarHBondContact OD1-N 3.38Å; D390-K395 HydrophobicContact CB-CB 4.33Å; D390-K395 PolarHBondContact N-O 3.21Å; D390-K395 PolarHBondContact OD1-N 2.73Å; D390-W397 HydrophobicContact CB-CZ3 4.27Å; D390-W397 VanDerWaalsContact N-CZ3 3.34Å
391S89.9Confident92.6Very high133 Ų13344.9 Ų44.993%0.9327%0.265SS*.THydrogen-bonded Turntrans-58.9-22.5179.457.30000114.1
392S88.4Confident92.4Very high66 Ų6646 Ų4646%0.46227%0.27SS..THydrogen-bonded Turntrans-84.3-12.717577.40000113.7D390 T394D390-S392 PolarHBondContact O-N 3.26Å; D390-S392 VanDerWaalsContact O-N 3.08Å; D390-S392 PolarHBondContact OD1-OG 2.9Å; D390-S392 VanDerWaalsContact OD1-OG 3.07Å; D390-S392 PolarHBondContact OD2-OG 3.29Å; S392-T394 PolarHBondContact O-N 2.73Å; S392-T394 WeakPolarHBondContact OG-CG2 3.48Å; S392-T394 PolarHBondContact OG-N 2.98Å; S392-T394 PolarHBondContact OG-OG1 3.13Å
393G88.1Confident91.8Very high30 Ų3046.6 Ų46.631%0.30927%0.268SS..SBendtrans69.117.7-175.300000114.1D390 Y396D390-G393 PolarHBondContact O-N 3.46Å; D390-G393 PolarHBondContact OD1-N 3.11Å; D390-G393 VanDerWaalsContact OD1-N 3.1Å; G393-Y396 PolarHBondContact O-OH 2.88Å
394T91.5Very high91.2Very high70 Ų7043.3 Ų43.343%0.42925%0.252SS..  trans-108-21.7-174.3680000113.9T359 D390 S392T359-T394 WeakPolarHBondContact CA-O 3.16Å; D390-T394 PolarHBondContact OD1-N 3.38Å; S392-T394 PolarHBondContact O-N 2.73Å; S392-T394 WeakPolarHBondContact OG-CG2 3.48Å; S392-T394 PolarHBondContact OG-N 2.98Å; S392-T394 PolarHBondContact OG-OG1 3.13Å
395K95.8Very high90.7Very high94 Ų9443 Ų4341%0.40925%0.249SC..EExtended strand (participates in β ladder)trans-117.7136.8177.8-68.4-176.8178.7-176.70110.8Q358 T359 C389 D390Q358-K395 CarbonylContact O-C 3.48Å; Q358-K395 WeakPolarHBondContact O-CA 3.2Å; T359-K395 HydrophobicContact CG2-CG 4.41Å; C389-K395 CarbonylContact C-O 3.57Å; C389-K395 WeakPolarHBondContact CA-O 2.92Å; D390-K395 HydrophobicContact CB-CB 4.33Å; D390-K395 PolarHBondContact N-O 3.21Å; D390-K395 PolarHBondContact OD1-N 2.73Å
396Y97.6Very high90.5Very high19 Ų1942.2 Ų42.28%0.07524%0.24CC..EExtended strand (participates in β ladder)trans-125.1144.7-173.8-48.8-88000111.3G357 Q358 L378 V382 V387 E388 C389 G393G357-Y396 WeakPolarHBondContact CA-O 3.25Å; Q358-Y396 PolarHBondContact N-O 3.42Å; Q358-Y396 WeakPolarHBondContact O-CD2 3.2Å; Q358-Y396 PolarHBondContact O-N 2.93Å; L378-Y396 HydrophobicContact CB-CD1 4.04Å; L378-Y396 HydrophobicContact CB-CD2 4.47Å; L378-Y396 HydrophobicContact CB-CE1 3.97Å; L378-Y396 HydrophobicContact CB-CE2 4.4Å; L378-Y396 HydrophobicContact CB-CG 4.3Å; L378-Y396 HydrophobicContact CD1-CD2 3.63Å; L378-Y396 HydrophobicContact CD1-CE2 3.83Å; L378-Y396 HydrophobicContact CD1-CG 4.03Å; L378-Y396 HydrophobicContact CD2-CD1 4.3Å; L378-Y396 HydrophobicContact CD2-CD2 4.41Å; L378-Y396 HydrophobicContact CD2-CG 3.98Å; L378-Y396 HydrophobicContact CG-CD2 4.38Å; L378-Y396 HydrophobicContact CG-CG 4.32Å; V382-Y396 HydrophobicContact CG2-CD1 3.8Å; V382-Y396 HydrophobicContact CG2-CE1 4.05Å; V387-Y396 HydrophobicContact CG1-CD1 4.41Å; E388-Y396 VanDerWaalsContact O-CA 3.27Å; E388-Y396 WeakPolarHBondContact O-CA 3.31Å; C389-Y396 HydrophobicContact CB-CD1 3.82Å; C389-Y396 HydrophobicContact CB-CE1 4.02Å; G393-Y396 PolarHBondContact O-OH 2.88Å
397W96.3Very high90.1Very high29 Ų2945 Ų4511%0.1125%0.251CS..EExtended strand (participates in β ladder)trans-146.1158.3172.570.197.8000111.3E351 T353 E354 V387 E388 C389 D390E351-W397 CarbonylContact O-C 3.5Å; E351-W397 WeakPolarHBondContact O-CA 3.34Å; E351-W397 WeakPolarHBondContact O-CB 3.45Å; T353-W397 WeakPolarHBondContact O-CB 3.44Å; E354-W397 HydrophobicContact CB-CD2 4.13Å; E354-W397 HydrophobicContact CB-CE3 4.12Å; E354-W397 HydrophobicContact CB-CH2 3.76Å; E354-W397 HydrophobicContact CB-CZ2 3.75Å; E354-W397 HydrophobicContact CB-CZ3 3.93Å; E354-W397 HydrophobicContact CG-CE3 4.29Å; E354-W397 HydrophobicContact CG-CH2 3.66Å; E354-W397 HydrophobicContact CG-CZ2 4.17Å; E354-W397 HydrophobicContact CG-CZ3 3.7Å; V387-W397 WeakPolarHBondContact CG1-O 3.22Å; E388-W397 HydrophobicContact CB-CD2 3.7Å; E388-W397 HydrophobicContact CB-CE3 4.18Å; E388-W397 HydrophobicContact CB-CG 4.27Å; E388-W397 HydrophobicContact CB-CH2 3.85Å; E388-W397 HydrophobicContact CB-CZ2 3.33Å; E388-W397 HydrophobicContact CB-CZ3 4.26Å; E388-W397 HydrophobicContact CG-CZ2 4.03Å; E388-W397 PolarHBondContact N-O 2.68Å; E388-W397 PolarHBondContact O-N 3.22Å; E388-W397 VanDerWaalsContact O-N 3.07Å; C389-W397 WeakPolarHBondContact O-CH2 3.01Å; D390-W397 HydrophobicContact CB-CZ3 4.27Å; D390-W397 VanDerWaalsContact N-CZ3 3.34Å
398L94.4Very high89.1Confident0 Ų046.5 Ų46.50%026%0.261CS..  trans-112.1103.5174178.663.9000109.4F347 L350 E351 S352 I386 H400 R402 R403 L406F347-L398 HydrophobicContact CB-CD2 4.17Å; F347-L398 HydrophobicContact CD1-CD2 4.13Å; L350-L398 HydrophobicContact CB-CB 3.92Å; L350-L398 HydrophobicContact CD1-CB 4.13Å; E351-L398 PolarHBondContact O-N 2.54Å; S352-L398 WeakPolarHBondContact CA-O 3.48Å; I386-L398 WeakPolarHBondContact O-CD1 3.45Å; L398-H400 PolarHBondContact O-N 3.29Å; L398-R402 HydrophobicContact CD1-CB 3.82Å; L398-R402 HydrophobicContact CG-CB 4.42Å; L398-R403 HydrophobicContact CD2-CG 3.91Å; L398-R403 HydrophobicContact CG-CG 4.04Å; L398-R403 PolarHBondContact O-NE 3.24Å; L398-L406 HydrophobicContact CD1-CD1 3.64Å; L398-L406 HydrophobicContact CD2-CB 4.44Å; L398-L406 HydrophobicContact CD2-CD1 4.09Å; L398-L406 HydrophobicContact CG-CD1 4.49Å
399P92.3Very high88.1Confident12 Ų1248.4 Ų48.48%0.07827%0.273CS..  trans-45.6137.3-179-3033.9000113.4E388 W401 R402 R403E388-P399 HydrophobicContact CG-CG 3.59Å; P399-W401 HydrophobicContact CB-CD2 4.47Å; P399-W401 HydrophobicContact CB-CG 4.44Å; P399-W401 HydrophobicContact CB-CZ2 4.41Å; P399-W401 PolarHBondContact O-N 3.33Å; P399-W401 VanDerWaalsContact O-N 3.13Å; P399-R402 HydrophobicContact CB-CG 4.36Å; P399-R402 WeakPolarHBondContact O-CB 3.16Å; P399-R402 PolarHBondContact O-N 3.35Å; P399-R403 PolarHBondContact O-N 3.46Å
400H88.2Confident86.9Confident131 Ų13147.3 Ų47.361%0.60627%0.265SS*.Hα-helixtrans-53.9-39.8-17176-79.7000113.6L398 R402 R403L398-H400 PolarHBondContact O-N 3.29Å; H400-R402 PolarHBondContact O-N 3.01Å; H400-R403 VanDerWaalsContact O-CB 3.32Å; H400-R403 WeakPolarHBondContact O-CB 3.22Å; H400-R403 PolarHBondContact O-N 3.3Å; H400-R403 VanDerWaalsContact O-N 3.11Å
401W85.7Confident85.5Confident54 Ų5453.6 Ų53.621%0.20529%0.291CS..Hα-helixtrans-68.9-15.6-179.959.7-97.7000113.6D9 F13 P399D9-W401 HydrophobicContact CB-CZ3 4.38Å; D9-W401 VanDerWaalsContact O-CZ3 3.31Å; D9-W401 WeakPolarHBondContact O-CZ3 3.35Å; F13-W401 HydrophobicContact CB-CE3 4.4Å; F13-W401 HydrophobicContact CB-CH2 4.1Å; F13-W401 HydrophobicContact CB-CZ3 3.43Å; F13-W401 VanDerWaalsContact CB-CZ3 3.43Å; F13-W401 HydrophobicContact CD1-CZ3 4.47Å; F13-W401 HydrophobicContact CD2-CH2 4.46Å; F13-W401 HydrophobicContact CD2-CZ3 4.37Å; F13-W401 HydrophobicContact CG-CH2 4.38Å; F13-W401 AromaticContact CG-CZ3 3.86Å; F13-W401 HydrophobicContact CG-CZ3 3.86Å; P399-W401 HydrophobicContact CB-CD2 4.47Å; P399-W401 HydrophobicContact CB-CG 4.44Å; P399-W401 HydrophobicContact CB-CZ2 4.41Å; P399-W401 PolarHBondContact O-N 3.33Å; P399-W401 VanDerWaalsContact O-N 3.13Å
402R89.5Confident84.3Confident23 Ų2353 Ų539%0.08727%0.274CS..Hα-helixtrans-88.7-22.4171.5-62.2-177.7-177.31618.4112.8F13 I386 E388 L398 P399 H400 G404 L405 L406F13-R402 HydrophobicContact CD1-CB 4.13Å; F13-R402 HydrophobicContact CD1-CG 3.8Å; F13-R402 HydrophobicContact CD2-CG 4.06Å; F13-R402 HydrophobicContact CE1-CB 3.74Å; F13-R402 HydrophobicContact CE1-CG 3.76Å; F13-R402 VanDerWaalsContact CE2-CD 3.48Å; F13-R402 HydrophobicContact CE2-CG 4.02Å; F13-R402 HydrophobicContact CG-CG 3.97Å; F13-R402 HydrophobicContact CZ-CB 4.06Å; F13-R402 HydrophobicContact CZ-CG 3.89Å; I386-R402 WeakPolarHBondContact O-CD 3.11Å; I386-R402 PolarHBondContact O-NH1 3.18Å; E388-R402 IonicContact OE1-CZ 3.96Å; E388-R402 IonicContact OE1-NH1 3.2Å; E388-R402 PolarHBondContact OE1-NH1 3.31Å; E388-R402 IonicContact OE1-NH2 3.63Å; E388-R402 PolarHBondContact OE1-NH2 3.45Å; L398-R402 HydrophobicContact CD1-CB 3.82Å; L398-R402 HydrophobicContact CG-CB 4.42Å; P399-R402 HydrophobicContact CB-CG 4.36Å; P399-R402 WeakPolarHBondContact O-CB 3.16Å; P399-R402 PolarHBondContact O-N 3.35Å; H400-R402 PolarHBondContact O-N 3.01Å; R402-G404 VanDerWaalsContact C-N 3.3Å; R402-G404 PolarHBondContact O-N 3.4Å; R402-L405 PolarHBondContact O-N 3.35Å; R402-L405 VanDerWaalsContact O-N 3.14Å; R402-L406 HydrophobicContact CB-CD1 4.42Å
403R83.9Confident83.3Confident52 Ų5250.3 Ų50.320%0.19626%0.257CS..Hα-helixtrans-60.8-38.2-172-71.1-178.5165.6-171.7-12112.6L350 E351 S352 L398 P399 H400 L405 L406 R407 T410L350-R403 PolarHBondContact O-NH2 2.93Å; E351-R403 IonicContact OE2-NH2 3.54Å; S352-R403 VanDerWaalsContact CB-CZ 3.44Å; L398-R403 HydrophobicContact CD2-CG 3.91Å; L398-R403 HydrophobicContact CG-CG 4.04Å; L398-R403 PolarHBondContact O-NE 3.24Å; P399-R403 PolarHBondContact O-N 3.46Å; H400-R403 VanDerWaalsContact O-CB 3.32Å; H400-R403 WeakPolarHBondContact O-CB 3.22Å; H400-R403 PolarHBondContact O-N 3.3Å; H400-R403 VanDerWaalsContact O-N 3.11Å; R403-L405 PolarHBondContact O-N 3.21Å; R403-L405 VanDerWaalsContact O-N 3.1Å; R403-L406 PolarHBondContact O-N 2.89Å; R403-R407 HydrophobicContact CB-CG 4.31Å; R403-R407 PolarHBondContact O-N 3.3Å; R403-R407 VanDerWaalsContact O-N 3.16Å; R403-T410 WeakPolarHBondContact O-CG2 3.25Å
404G79.1Confident82.5Confident40 Ų4049 Ų4941%0.41224%0.243SC..Hα-helixtrans-60.3-17179.400000114.5R402 T410R402-G404 VanDerWaalsContact C-N 3.3Å; R402-G404 PolarHBondContact O-N 3.4Å; G404-T410 VanDerWaalsContact C-CG2 3.49Å; G404-T410 WeakPolarHBondContact O-CB 3.43Å; G404-T410 WeakPolarHBondContact O-CG2 3.39Å
405L80.5Confident81.6Confident1 Ų145.8 Ų45.81%0.00522%0.223CC..Hα-helixtrans-101.1-20.9-179.3-67.1168.3000113.8E10 F13 R14 R402 R403 G413 I414E10-L405 HydrophobicContact CG-CD1 3.99Å; F13-L405 HydrophobicContact CD1-CD1 3.61Å; F13-L405 HydrophobicContact CE1-CB 4.46Å; F13-L405 HydrophobicContact CE1-CD1 4.17Å; R14-L405 HydrophobicContact CB-CD1 4.09Å; R14-L405 HydrophobicContact CG-CD2 4.38Å; R402-L405 PolarHBondContact O-N 3.35Å; R402-L405 VanDerWaalsContact O-N 3.14Å; R403-L405 PolarHBondContact O-N 3.21Å; R403-L405 VanDerWaalsContact O-N 3.1Å; L405-G413 CarbonylContact O-C 3.58Å; L405-G413 WeakPolarHBondContact O-CA 3.31Å; L405-I414 HydrophobicContact CB-CG2 4.29Å; L405-I414 PolarHBondContact O-N 3.18Å
406L87Confident80.5Confident1 Ų141.4 Ų41.41%0.00520%0.204CC..Hα-helixtrans-118-30.8-164-59178.6000115.3F13 L338 F347 I386 L398 R402 R403 I414 V415F13-L406 HydrophobicContact CE1-CD1 4.09Å; F13-L406 HydrophobicContact CE1-CD2 4.3Å; F13-L406 HydrophobicContact CE1-CG 4.18Å; F13-L406 HydrophobicContact CZ-CD1 3.92Å; F13-L406 HydrophobicContact CZ-CD2 4.43Å; F13-L406 HydrophobicContact CZ-CG 4.43Å; L338-L406 HydrophobicContact CD1-CD2 4.17Å; F347-L406 HydrophobicContact CD1-CB 4.38Å; F347-L406 HydrophobicContact CD1-CD1 4.29Å; F347-L406 HydrophobicContact CD2-CB 4.27Å; F347-L406 HydrophobicContact CE1-CD1 4.22Å; F347-L406 HydrophobicContact CG-CB 4.14Å; I386-L406 HydrophobicContact CG2-CD1 3.63Å; L398-L406 HydrophobicContact CD1-CD1 3.64Å; L398-L406 HydrophobicContact CD2-CB 4.44Å; L398-L406 HydrophobicContact CD2-CD1 4.09Å; L398-L406 HydrophobicContact CG-CD1 4.49Å; R402-L406 HydrophobicContact CB-CD1 4.42Å; R403-L406 PolarHBondContact O-N 2.89Å; L406-I414 HydrophobicContact CD2-CG2 4.35Å; L406-V415 HydrophobicContact CB-CG2 4.23Å; L406-V415 HydrophobicContact CD2-CG2 3.39Å; L406-V415 HydrophobicContact CG-CG2 4.39Å
407R82.9Confident79.5Confident59 Ų5942.2 Ų42.222%0.22321%0.209CC..SBendtrans-68.7153.1-175.4-72174.357.9101.40.9112.1D348 R403 D409 T410D348-R407 PolarHBondContact O-NH1 3.02Å; D348-R407 WeakPolarHBondContact OD1-CA 3.26Å; D348-R407 VanDerWaalsContact OD1-CB 3.26Å; D348-R407 WeakPolarHBondContact OD1-CB 3.46Å; R403-R407 HydrophobicContact CB-CG 4.31Å; R403-R407 PolarHBondContact O-N 3.3Å; R403-R407 VanDerWaalsContact O-N 3.16Å; R407-D409 WeakPolarHBondContact CB-OD1 3.38Å; R407-D409 IonicContact CZ-OD2 2.62Å; R407-D409 IonicContact NE-OD1 2.77Å; R407-D409 PolarHBondContact NE-OD1 3.47Å; R407-D409 IonicContact NE-OD2 3.68Å; R407-D409 PolarHBondContact NE-OD2 2.93Å; R407-D409 IonicContact NH2-OD2 2.81Å; R407-D409 PolarHBondContact NH2-OD2 3.12Å; R407-D409 PolarHBondContact O-N 2.93Å; R407-T410 HydrophobicContact CB-CG2 3.85Å; R407-T410 WeakPolarHBondContact O-CB 3.33Å; R407-T410 PolarHBondContact O-N 2.59Å; R407-T410 PolarHBondContact O-OG1 3.17Å
408S75.7Confident78.5Confident33 Ų3340.9 Ų40.923%0.23120%0.204CC..THydrogen-bonded Turntrans-68.9-21.3-174.976.10000113.8D348D348-S408 PolarHBondContact OD1-N 2.94Å; D348-S408 WeakPolarHBondContact OD2-CB 3.49Å; D348-S408 PolarHBondContact OD2-OG 3.22Å
409D73.5Confident77.9Confident101 Ų10141.7 Ų41.754%0.5421%0.208SC..THydrogen-bonded Turntrans-87-4178.655.27000114.2R407R407-D409 WeakPolarHBondContact CB-OD1 3.38Å; R407-D409 IonicContact CZ-OD2 2.62Å; R407-D409 IonicContact NE-OD1 2.77Å; R407-D409 PolarHBondContact NE-OD1 3.47Å; R407-D409 IonicContact NE-OD2 3.68Å; R407-D409 PolarHBondContact NE-OD2 2.93Å; R407-D409 IonicContact NH2-OD2 2.81Å; R407-D409 PolarHBondContact NH2-OD2 3.12Å; R407-D409 PolarHBondContact O-N 2.93Å
410T70.1Confident77.4Confident19 Ų1941.8 Ų41.812%0.11721%0.208CC..  trans-78128.6-175.558.90000111.8R403 G404 R407 G413 R467R403-T410 WeakPolarHBondContact O-CG2 3.25Å; G404-T410 VanDerWaalsContact C-CG2 3.49Å; G404-T410 WeakPolarHBondContact O-CB 3.43Å; G404-T410 WeakPolarHBondContact O-CG2 3.39Å; R407-T410 HydrophobicContact CB-CG2 3.85Å; R407-T410 WeakPolarHBondContact O-CB 3.33Å; R407-T410 PolarHBondContact O-N 2.59Å; R407-T410 PolarHBondContact O-OG1 3.17Å; T410-G413 WeakPolarHBondContact OG1-CA 3.5Å; T410-R467 PolarHBondContact O-NH1 3.25Å; T410-R467 PolarHBondContact O-NH2 3.32Å
411K65.4Low77.2Confident159 Ų15935.6 Ų35.669%0.69118%0.179SC*.SBendtrans-73.7-35173.4-66.8-173.6-180-177.70112.1R467K411-R467 WeakPolarHBondContact O-CB 3.47Å; K411-R467 WeakPolarHBondContact O-CD 3.4Å; K411-R467 WeakPolarHBondContact O-CG 3.29Å
412E64.6Low77.1Confident120 Ų12033.6 Ų33.656%0.56117%0.173SC*.SBendtrans-100.216.2-176-61.1-174.4-179.700113.6R14R14-E412 PolarHBondContact NH1-O 2.86Å
413G67.1Low76.8Confident10 Ų1033.5 Ų33.510%0.10318%0.175CC..  trans-65.8144-175.800000113.3L405 T410 P416 R467L405-G413 CarbonylContact O-C 3.58Å; L405-G413 WeakPolarHBondContact O-CA 3.31Å; T410-G413 WeakPolarHBondContact OG1-CA 3.5Å; G413-P416 WeakPolarHBondContact O-CD 3.31Å; G413-R467 VanDerWaalsContact N-NH1 3.15Å; G413-R467 PolarHBondContact O-NH1 3.42Å
414I71.2Confident77Confident3 Ų331 Ų312%0.01517%0.165CC..SBendtrans-86-21.6-177.8-168156.5000112.8R14 C17 M18 L405 L406 P416 M417R14-I414 HydrophobicContact CG-CD1 4.11Å; R14-I414 VanDerWaalsContact O-CD1 3.31Å; R14-I414 WeakPolarHBondContact O-CD1 3.41Å; C17-I414 HydrophobicContact CB-CB 4.48Å; C17-I414 HydrophobicContact CB-CD1 3.45Å; C17-I414 VanDerWaalsContact CB-CD1 3.45Å; C17-I414 HydrophobicContact CB-CG1 4.09Å; C17-I414 HydrophobicContact CB-CG2 3.68Å; M18-I414 HydrophobicContact CB-CD1 4.25Å; M18-I414 HydrophobicContact CG-CD1 3.36Å; M18-I414 HydrophobicContact CG-CG1 4.41Å; M18-I414 HydrophobicContact SD-CD1 3.27Å; M18-I414 WeakPolarHBondContact SD-CD1 3.29Å; M18-I414 HydrophobicContact SD-CG1 3.69Å; L405-I414 HydrophobicContact CB-CG2 4.29Å; L405-I414 PolarHBondContact O-N 3.18Å; L406-I414 HydrophobicContact CD2-CG2 4.35Å; I414-P416 VanDerWaalsContact C-CD 3.42Å; I414-M417 HydrophobicContact CG1-CE 3.85Å; I414-M417 WeakPolarHBondContact O-CB 3.05Å; I414-M417 PolarHBondContact O-N 3.34Å
415V72.3Confident77.3Confident1 Ų129.1 Ų29.11%0.00615%0.146CC..THydrogen-bonded Turntrans-68-27.9-169.8-163.70000114.9L338 Y342 L406 M417 T418L338-V415 HydrophobicContact CD2-CG1 4Å; L338-V415 HydrophobicContact CD2-CG2 4.04Å; L338-V415 HydrophobicContact CG-CG1 3.91Å; L338-V415 HydrophobicContact CG-CG2 4.32Å; Y342-V415 HydrophobicContact CD1-CG1 4.5Å; Y342-V415 HydrophobicContact CD2-CB 3.89Å; Y342-V415 HydrophobicContact CD2-CG1 4.04Å; Y342-V415 HydrophobicContact CG-CB 4.08Å; Y342-V415 HydrophobicContact CG-CG1 3.71Å; L406-V415 HydrophobicContact CB-CG2 4.23Å; L406-V415 HydrophobicContact CD2-CG2 3.39Å; L406-V415 HydrophobicContact CG-CG2 4.39Å; V415-M417 PolarHBondContact O-N 2.83Å; V415-M417 VanDerWaalsContact O-N 3.12Å; V415-T418 WeakPolarHBondContact CG1-OG1 3.37Å; V415-T418 PolarHBondContact O-N 3.04Å; V415-T418 PolarHBondContact O-OG1 2.96Å
416P73.9Confident77.5Confident3 Ų332.3 Ų32.32%0.01917%0.167CC..Hα-helixtrans-50.3-40.7170.9-27.734.4000111.9Y342 G413 I414 T418 N419 Y460Y342-P416 HydrophobicContact CE2-CG 4.48Å; G413-P416 WeakPolarHBondContact O-CD 3.31Å; I414-P416 VanDerWaalsContact C-CD 3.42Å; P416-T418 VanDerWaalsContact C-N 3.26Å; P416-T418 PolarHBondContact O-N 3.07Å; P416-N419 VanDerWaalsContact O-CB 3.32Å; P416-N419 WeakPolarHBondContact O-CB 3.38Å; P416-N419 PolarHBondContact O-N 3.43Å; P416-Y460 WeakPolarHBondContact O-CE2 3.34Å
417M75.6Confident77.5Confident36 Ų3632.9 Ų32.918%0.17717%0.17CC..Hα-helixtrans-60.4-28.5178.2-72.1-175.7-90.100113.9M18 Y25 I414 V415 N419 F464M18-M417 HydrophobicContact CE-CE 4.03Å; M18-M417 HydrophobicContact CE-SD 4.18Å; M18-M417 HydrophobicContact SD-CE 3.64Å; M18-M417 HydrophobicContact SD-SD 4.19Å; Y25-M417 PolarHBondContact OH-O 3.15Å; I414-M417 HydrophobicContact CG1-CE 3.85Å; I414-M417 WeakPolarHBondContact O-CB 3.05Å; I414-M417 PolarHBondContact O-N 3.34Å; V415-M417 PolarHBondContact O-N 2.83Å; V415-M417 VanDerWaalsContact O-N 3.12Å; M417-N419 PolarHBondContact O-N 2.67Å; M417-F464 HydrophobicContact CG-CD2 4.42Å; M417-F464 HydrophobicContact CG-CE2 4.09Å; M417-F464 HydrophobicContact SD-CE2 4.33Å
418T76.4Confident77.7Confident1 Ų130.3 Ų30.31%0.00616%0.16CC..Hα-helixtrans-72.6-17.2174.360.70000113.1C21 A335 L338 S339 V415 P416 I421C21-T418 WeakPolarHBondContact SG-CG2 3.35Å; A335-T418 HydrophobicContact CB-CG2 4.28Å; L338-T418 HydrophobicContact CB-CG2 4.28Å; L338-T418 HydrophobicContact CD2-CG2 3.55Å; L338-T418 HydrophobicContact CG-CG2 4.42Å; S339-T418 PolarHBondContact N-OG1 2.99Å; V415-T418 WeakPolarHBondContact CG1-OG1 3.37Å; V415-T418 PolarHBondContact O-N 3.04Å; V415-T418 PolarHBondContact O-OG1 2.96Å; P416-T418 VanDerWaalsContact C-N 3.26Å; P416-T418 PolarHBondContact O-N 3.07Å; T418-I421 VanDerWaalsContact O-CG2 3.26Å; T418-I421 WeakPolarHBondContact O-CG2 3.47Å
419N80Confident78.1Confident17 Ų1732.8 Ų32.89%0.09117%0.168CC..Hα-helixtrans-77.9-24179.2-63.3-34.4000113.1S339 Y342 P416 M417 I421 T422 V423 Y460S339-N419 WeakPolarHBondContact CA-OD1 3.46Å; S339-N419 VanDerWaalsContact CB-OD1 3.31Å; S339-N419 WeakPolarHBondContact CB-OD1 3.46Å; S339-N419 PolarHBondContact OG-OD1 3.18Å; Y342-N419 WeakPolarHBondContact CD1-ND2 2.96Å; Y342-N419 WeakPolarHBondContact CE1-ND2 3.5Å; P416-N419 VanDerWaalsContact O-CB 3.32Å; P416-N419 WeakPolarHBondContact O-CB 3.38Å; P416-N419 PolarHBondContact O-N 3.43Å; M417-N419 PolarHBondContact O-N 2.67Å; N419-I421 PolarHBondContact O-N 3.46Å; N419-T422 PolarHBondContact O-N 3.14Å; N419-T422 PolarHBondContact O-OG1 3.14Å; N419-V423 PolarHBondContact O-N 2.61Å; N419-Y460 HydrophobicContact CB-CD2 4.35Å
420M82.4Confident78.7Confident13 Ų1330 Ų306%0.06415%0.152CC..Hα-helixtrans-67.6-26.7-176.8160.7-166.8-76.200111.6Y25 T422 V423 L424 F457 Y460 M461 V610Y25-M420 HydrophobicContact CE1-CG 4.13Å; Y25-M420 HydrophobicContact CE1-SD 4.2Å; Y25-M420 WeakPolarHBondContact OH-CB 3.35Å; Y25-M420 VanDerWaalsContact OH-CG 3.25Å; Y25-M420 WeakPolarHBondContact OH-CG 3.19Å; M420-T422 PolarHBondContact O-N 3.49Å; M420-V423 WeakPolarHBondContact O-CB 3.44Å; M420-V423 PolarHBondContact O-N 3.11Å; M420-L424 HydrophobicContact CG-CD1 3.76Å; M420-L424 HydrophobicContact CG-CG 3.89Å; M420-L424 WeakPolarHBondContact O-CG 3.35Å; M420-L424 PolarHBondContact O-N 3.25Å; M420-L424 HydrophobicContact SD-CD1 4.22Å; M420-F457 HydrophobicContact CE-CE2 3.97Å; M420-Y460 HydrophobicContact CB-CD1 4.46Å; M420-Y460 HydrophobicContact CB-CD2 3.8Å; M420-Y460 HydrophobicContact CB-CE1 4.13Å; M420-Y460 HydrophobicContact CB-CE2 3.28Å; M420-Y460 HydrophobicContact CB-CG 4.36Å; M420-Y460 HydrophobicContact CE-CD1 3.76Å; M420-Y460 HydrophobicContact CE-CE1 3.11Å; M420-Y460 HydrophobicContact CE-CE2 4.45Å; M420-Y460 HydrophobicContact SD-CE1 4.39Å; M420-M461 HydrophobicContact CE-SD 4.47Å; M420-V610 HydrophobicContact CE-CG1 4.39Å; M420-V610 HydrophobicContact SD-CB 4.38Å; M420-V610 HydrophobicContact SD-CG1 3.91Å; M420-V610 HydrophobicContact SD-CG2 3.49Å; M420-V610 WeakPolarHBondContact SD-CG2 3.22Å
421I84.3Confident79.7Confident1 Ų129.1 Ų29.11%0.00515%0.146CC..Hα-helixtrans-59.2-34.8171.8-161172.4000112.2A24 Y25 L28 I113 S117 L336 T418 N419 V423 L424 S425A24-I421 HydrophobicContact CB-CD1 3.57Å; A24-I421 WeakPolarHBondContact O-CD1 3.42Å; Y25-I421 PolarHBondContact OH-N 3.47Å; L28-I421 HydrophobicContact CD2-CG1 4.24Å; I113-I421 HydrophobicContact CG1-CD1 4.28Å; S117-I421 PolarHBondContact OG-O 3.47Å; L336-I421 HydrophobicContact CD2-CG2 3.6Å; T418-I421 VanDerWaalsContact O-CG2 3.26Å; T418-I421 WeakPolarHBondContact O-CG2 3.47Å; N419-I421 PolarHBondContact O-N 3.46Å; I421-V423 VanDerWaalsContact C-N 3.27Å; I421-V423 PolarHBondContact O-N 3.25Å; I421-L424 PolarHBondContact O-N 3.45Å; I421-S425 VanDerWaalsContact O-CB 3.27Å; I421-S425 WeakPolarHBondContact O-CB 3.34Å; I421-S425 PolarHBondContact O-N 2.85Å; I421-S425 PolarHBondContact O-OG 3.41Å
422T83Confident80.9Confident13 Ų1322.2 Ų22.28%0.0812%0.117CC..Hα-helixtrans-76.1-18.9179.376.60000111.9T120 L336 N419 M420 P426T120-T422 HydrophobicContact CG2-CG2 3.93Å; L336-T422 HydrophobicContact CD2-CG2 4.03Å; N419-T422 PolarHBondContact O-N 3.14Å; N419-T422 PolarHBondContact O-OG1 3.14Å; M420-T422 PolarHBondContact O-N 3.49Å; T422-P426 VanDerWaalsContact O-CD 3.29Å; T422-P426 WeakPolarHBondContact O-CD 3.38Å; T422-P426 VanDerWaalsContact O-CG 3.27Å; T422-P426 WeakPolarHBondContact O-CG 3.03Å
423V84.3Confident82Confident20 Ų2018.9 Ų18.912%0.12110%0.101CC..Hα-helixtrans-81.8-37.7170.7175.90000111.3N419 M420 I421 P426 K455 F457N419-V423 PolarHBondContact O-N 2.61Å; M420-V423 WeakPolarHBondContact O-CB 3.44Å; M420-V423 PolarHBondContact O-N 3.11Å; I421-V423 VanDerWaalsContact C-N 3.27Å; I421-V423 PolarHBondContact O-N 3.25Å; V423-P426 WeakPolarHBondContact O-CD 3.2Å; V423-K455 WeakPolarHBondContact CG1-O 3.04Å; V423-F457 HydrophobicContact CG1-CB 4.32Å; V423-F457 HydrophobicContact CG1-CD2 4.39Å
424L87.8Confident83.1Confident0 Ų018.4 Ų18.40%010%0.096CC..Hα-helixtrans-86.6-43.3-174.5-62.4-176.9000113.7Y25 M420 I421 L427 Y454 V610 F613 H614Y25-L424 HydrophobicContact CD1-CD1 4.47Å; Y25-L424 HydrophobicContact CE1-CD1 3.91Å; M420-L424 HydrophobicContact CG-CD1 3.76Å; M420-L424 HydrophobicContact CG-CG 3.89Å; M420-L424 WeakPolarHBondContact O-CG 3.35Å; M420-L424 PolarHBondContact O-N 3.25Å; M420-L424 HydrophobicContact SD-CD1 4.22Å; I421-L424 PolarHBondContact O-N 3.45Å; L424-L427 WeakPolarHBondContact O-CB 3.38Å; L424-L427 PolarHBondContact O-N 3.03Å; L424-Y454 HydrophobicContact CD2-CD1 4.13Å; L424-Y454 HydrophobicContact CD2-CE1 4.21Å; L424-V610 HydrophobicContact CD1-CG2 4.17Å; L424-F613 HydrophobicContact CB-CB 4.13Å; L424-F613 HydrophobicContact CB-CD1 4.15Å; L424-F613 HydrophobicContact CB-CG 4.37Å; L424-F613 HydrophobicContact CD1-CB 3.95Å; L424-F613 HydrophobicContact CD2-CB 4.17Å; L424-F613 HydrophobicContact CG-CB 4.3Å; L424-H614 HydrophobicContact CD2-CB 3.83Å
425S86.1Confident84.2Confident1 Ų118.2 Ų18.21%0.00710%0.095CC..G310 helixtrans-58.6-33.6-174.875.50000115S117 P118 I421 L427 T428S117-S425 WeakPolarHBondContact CB-OG 3.44Å; S117-S425 VanDerWaalsContact OG-CB 3.31Å; S117-S425 WeakPolarHBondContact OG-CB 3.36Å; S117-S425 PolarHBondContact OG-OG 3.44Å; P118-S425 WeakPolarHBondContact CD-OG 3.4Å; I421-S425 VanDerWaalsContact O-CB 3.27Å; I421-S425 WeakPolarHBondContact O-CB 3.34Å; I421-S425 PolarHBondContact O-N 2.85Å; I421-S425 PolarHBondContact O-OG 3.41Å; S425-L427 PolarHBondContact O-N 3.32Å; S425-T428 WeakPolarHBondContact O-CB 3.26Å; S425-T428 PolarHBondContact O-N 2.87Å; S425-T428 PolarHBondContact O-OG1 3.23Å
426P84.6Confident85Confident68 Ų6822 Ų2244%0.44211%0.113SC..G310 helixtrans-59.8-19.2175.9-20.733.6000113.1P118 T422 V423P118-P426 HydrophobicContact CB-CB 4.39Å; P118-P426 HydrophobicContact CB-CG 4.48Å; T422-P426 VanDerWaalsContact O-CD 3.29Å; T422-P426 WeakPolarHBondContact O-CD 3.38Å; T422-P426 VanDerWaalsContact O-CG 3.27Å; T422-P426 WeakPolarHBondContact O-CG 3.03Å; V423-P426 WeakPolarHBondContact O-CD 3.2Å
427L86.1Confident85.7Confident13 Ų1326 Ų267%0.06814%0.139CC..G310 helixtrans-94.23.1-179.9-59.9170.5000113.2L424 S425 Q429 K430 I431 E453 Y454L424-L427 WeakPolarHBondContact O-CB 3.38Å; L424-L427 PolarHBondContact O-N 3.03Å; S425-L427 PolarHBondContact O-N 3.32Å; L427-Q429 PolarHBondContact O-N 3.45Å; L427-Q429 VanDerWaalsContact O-N 3.12Å; L427-K430 HydrophobicContact CD2-CD 3.95Å; L427-K430 WeakPolarHBondContact O-CA 3.42Å; L427-K430 WeakPolarHBondContact O-CB 3.34Å; L427-K430 PolarHBondContact O-N 3.13Å; L427-I431 WeakPolarHBondContact O-CG1 3.25Å; L427-I431 PolarHBondContact O-N 3.08Å; L427-E453 HydrophobicContact CD2-CB 4.36Å; L427-Y454 HydrophobicContact CD1-CD1 3.11Å; L427-Y454 HydrophobicContact CD1-CD2 4.41Å; L427-Y454 HydrophobicContact CD1-CE1 3.09Å; L427-Y454 HydrophobicContact CD1-CE2 4.39Å; L427-Y454 HydrophobicContact CD1-CG 3.83Å
428T87.5Confident86Confident4 Ų427 Ų273%0.02515%0.145CC..Hα-helixtrans-47.3-46.3-179.2-590000112.4L32 S425 K430 I431 L432L32-T428 HydrophobicContact CD2-CG2 3.71Å; S425-T428 WeakPolarHBondContact O-CB 3.26Å; S425-T428 PolarHBondContact O-N 2.87Å; S425-T428 PolarHBondContact O-OG1 3.23Å; T428-K430 PolarHBondContact O-N 3.35Å; T428-I431 PolarHBondContact O-N 3.3Å; T428-L432 HydrophobicContact CG2-CD1 4.45Å; T428-L432 WeakPolarHBondContact O-CG 3.24Å; T428-L432 PolarHBondContact O-N 3.04Å
429Q83.6Confident86.3Confident85 Ų8526.9 Ų26.940%0.39714%0.144SC..Hα-helixtrans-62.5-43179.5-176.454.64000112.4L427 I431 L432 E433L427-Q429 PolarHBondContact O-N 3.45Å; L427-Q429 VanDerWaalsContact O-N 3.12Å; Q429-I431 VanDerWaalsContact C-N 3.31Å; Q429-I431 PolarHBondContact O-N 3.25Å; Q429-L432 WeakPolarHBondContact O-CB 3.44Å; Q429-L432 PolarHBondContact O-N 3.18Å; Q429-E433 PolarHBondContact NE2-OE1 3Å; Q429-E433 VanDerWaalsContact NE2-OE1 3.09Å; Q429-E433 PolarHBondContact O-N 2.75Å
430K86.6Confident86.1Confident44 Ų4426.2 Ų26.219%0.19114%0.141CC..Hα-helixtrans-65.1-38176-64.5-169.7178.1-169.90111.6L427 T428 E433 C434 L447 T449 E453L427-K430 HydrophobicContact CD2-CD 3.95Å; L427-K430 WeakPolarHBondContact O-CA 3.42Å; L427-K430 WeakPolarHBondContact O-CB 3.34Å; L427-K430 PolarHBondContact O-N 3.13Å; T428-K430 PolarHBondContact O-N 3.35Å; K430-E433 PolarHBondContact O-N 2.83Å; K430-C434 PolarHBondContact O-N 2.88Å; K430-C434 PolarHBondContact O-SG 2.81Å; K430-L447 HydrophobicContact CB-CD2 4.45Å; K430-L447 HydrophobicContact CG-CD1 4.39Å; K430-L447 HydrophobicContact CG-CG 4.38Å; K430-T449 HydrophobicContact CB-CG2 4.35Å; K430-E453 IonicContact NZ-OE1 2.76Å; K430-E453 IonicContact NZ-OE2 2.66Å; K430-E453 PolarHBondContact NZ-OE2 2.83Å
431I90.9Very high85.5Confident0 Ų030.1 Ų30.10%016%0.157CC..Hα-helixtrans-65.6-41.4177-61.3-54.5000111.1L32 L427 T428 Q429 E433 C434 F435 T449 L612 F613 P617L32-I431 HydrophobicContact CD1-CG2 3.74Å; L32-I431 HydrophobicContact CD2-CG2 4.31Å; L427-I431 WeakPolarHBondContact O-CG1 3.25Å; L427-I431 PolarHBondContact O-N 3.08Å; T428-I431 PolarHBondContact O-N 3.3Å; Q429-I431 VanDerWaalsContact C-N 3.31Å; Q429-I431 PolarHBondContact O-N 3.25Å; I431-E433 VanDerWaalsContact C-N 3.25Å; I431-E433 PolarHBondContact O-N 2.86Å; I431-C434 WeakPolarHBondContact O-CA 3.38Å; I431-C434 VanDerWaalsContact O-CB 3.31Å; I431-C434 WeakPolarHBondContact O-CB 3.48Å; I431-C434 PolarHBondContact O-N 3.45Å; I431-F435 HydrophobicContact CG2-CE2 4.16Å; I431-F435 WeakPolarHBondContact O-CD2 3.44Å; I431-F435 PolarHBondContact O-N 3.44Å; I431-T449 HydrophobicContact CD1-CG2 4.38Å; I431-L612 HydrophobicContact CG2-CG 4.46Å; I431-F613 HydrophobicContact CB-CD1 4.47Å; I431-F613 HydrophobicContact CB-CE1 4.41Å; I431-F613 WeakPolarHBondContact CD1-O 3.44Å; I431-F613 HydrophobicContact CG1-CD1 3.77Å; I431-F613 HydrophobicContact CG1-CE1 4.15Å; I431-F613 HydrophobicContact CG1-CG 4.24Å; I431-P617 HydrophobicContact CD1-CB 4.25Å; I431-P617 HydrophobicContact CD1-CG 3.75Å
432L89.6Confident84.3Confident14 Ų1430.9 Ų30.97%0.07317%0.166CC..Hα-helixtrans-55.7-41.2173.2-71167.9000112.3L32 R35 L36 T428 Q429 C434 F435L32-L432 HydrophobicContact CD2-CD2 3.48Å; L32-L432 VanDerWaalsContact CD2-CD2 3.48Å; L32-L432 HydrophobicContact CD2-CG 3.63Å; R35-L432 HydrophobicContact CB-CD1 4.19Å; R35-L432 HydrophobicContact CB-CD2 3.86Å; R35-L432 VanDerWaalsContact NE-CD1 3.33Å; L36-L432 HydrophobicContact CD1-CD2 3.98Å; L36-L432 HydrophobicContact CD2-CD2 3.62Å; L36-L432 HydrophobicContact CG-CD2 3.48Å; L36-L432 VanDerWaalsContact CG-CD2 3.48Å; T428-L432 HydrophobicContact CG2-CD1 4.45Å; T428-L432 WeakPolarHBondContact O-CG 3.24Å; T428-L432 PolarHBondContact O-N 3.04Å; Q429-L432 WeakPolarHBondContact O-CB 3.44Å; Q429-L432 PolarHBondContact O-N 3.18Å; L432-C434 VanDerWaalsContact C-N 3.3Å; L432-C434 PolarHBondContact O-N 3.26Å; L432-F435 WeakPolarHBondContact O-CB 3.4Å; L432-F435 PolarHBondContact O-N 2.96Å
433E88Confident82.8Confident49 Ų4940 Ų4023%0.22920%0.204CC..Hα-helixtrans-70-28.7177.6-68.7175.1-136.900112.2Q429 K430 I431 F435 Q436 L447Q429-E433 PolarHBondContact NE2-OE1 3Å; Q429-E433 VanDerWaalsContact NE2-OE1 3.09Å; Q429-E433 PolarHBondContact O-N 2.75Å; K430-E433 PolarHBondContact O-N 2.83Å; I431-E433 VanDerWaalsContact C-N 3.25Å; I431-E433 PolarHBondContact O-N 2.86Å; E433-F435 PolarHBondContact O-N 3.23Å; E433-Q436 VanDerWaalsContact O-CB 3.25Å; E433-Q436 WeakPolarHBondContact O-CB 3.47Å; E433-Q436 WeakPolarHBondContact O-CG 3.4Å; E433-Q436 PolarHBondContact O-N 3.29Å; E433-L447 HydrophobicContact CB-CD2 3.34Å; E433-L447 HydrophobicContact CG-CD2 4.03Å; E433-L447 WeakPolarHBondContact OE2-CD1 3.26Å; E433-L447 WeakPolarHBondContact OE2-CD2 3.46Å; E433-L447 WeakPolarHBondContact OE2-CG 3.36Å
434C90.9Very high81.2Confident0 Ų044.7 Ų44.70%023%0.225CC..Hα-helixtrans-67.8-15.7173.6-61.60000113.8Y65 K430 I431 L432 Q436 G439 P440 T449Y65-C434 HydrophobicContact CD1-CB 4.01Å; Y65-C434 VanDerWaalsContact CD2-O 3.27Å; Y65-C434 WeakPolarHBondContact CD2-O 3.23Å; Y65-C434 HydrophobicContact CE1-CB 3.28Å; Y65-C434 HydrophobicContact CE2-CB 4.2Å; Y65-C434 VanDerWaalsContact CE2-O 3.31Å; Y65-C434 WeakPolarHBondContact CE2-O 3.32Å; Y65-C434 VanDerWaalsContact CZ-CB 3.42Å; K430-C434 PolarHBondContact O-N 2.88Å; K430-C434 PolarHBondContact O-SG 2.81Å; I431-C434 WeakPolarHBondContact O-CA 3.38Å; I431-C434 VanDerWaalsContact O-CB 3.31Å; I431-C434 WeakPolarHBondContact O-CB 3.48Å; I431-C434 PolarHBondContact O-N 3.45Å; L432-C434 VanDerWaalsContact C-N 3.3Å; L432-C434 PolarHBondContact O-N 3.26Å; C434-Q436 PolarHBondContact O-N 3.43Å; C434-G439 WeakPolarHBondContact O-CA 3.3Å; C434-P440 HydrophobicContact CB-CB 4.48Å; C434-T449 VanDerWaalsContact SG-CG2 3.54Å
435F93.2Very high79.5Confident0 Ų053.5 Ų53.50%026%0.263CS..THydrogen-bonded Turntrans-74-15.2171.1-81.7-107.3000112.5L32 L36 L38 Y61 K62 Y65 V66 W69 I431 L432 E433 L612L32-F435 HydrophobicContact CD1-CE2 4.34Å; L36-F435 HydrophobicContact CD1-CB 4.13Å; L36-F435 HydrophobicContact CD1-CD1 3.49Å; L36-F435 VanDerWaalsContact CD1-CD1 3.49Å; L36-F435 HydrophobicContact CD1-CD2 3.63Å; L36-F435 HydrophobicContact CD1-CE1 3.64Å; L36-F435 HydrophobicContact CD1-CE2 3.79Å; L36-F435 HydrophobicContact CD1-CG 3.47Å; L36-F435 VanDerWaalsContact CD1-CG 3.47Å; L36-F435 HydrophobicContact CD1-CZ 3.78Å; L36-F435 HydrophobicContact CD2-CB 4.19Å; L36-F435 HydrophobicContact CD2-CG 4.42Å; L38-F435 HydrophobicContact CD1-CD1 4.41Å; L38-F435 HydrophobicContact CD1-CE1 3.89Å; Y61-F435 CarbonylContact C-O 3.55Å; Y61-F435 WeakPolarHBondContact CA-O 3.26Å; Y61-F435 WeakPolarHBondContact CB-O 3.25Å; Y61-F435 HydrophobicContact CD1-CB 3.95Å; Y61-F435 WeakPolarHBondContact CD1-O 3.49Å; Y61-F435 HydrophobicContact CG-CB 4.14Å; K62-F435 PolarHBondContact N-O 3.08Å; Y65-F435 HydrophobicContact CD1-CD2 4.05Å; Y65-F435 HydrophobicContact CD1-CE2 4.04Å; Y65-F435 HydrophobicContact CG-CD2 4.37Å; Y65-F435 HydrophobicContact CG-CG 4.49Å; V66-F435 HydrophobicContact CG2-CD1 4.06Å; V66-F435 HydrophobicContact CG2-CE1 4.24Å; W69-F435 HydrophobicContact CB-CE1 4.2Å; W69-F435 HydrophobicContact CB-CZ 4.04Å; I431-F435 HydrophobicContact CG2-CE2 4.16Å; I431-F435 WeakPolarHBondContact O-CD2 3.44Å; I431-F435 PolarHBondContact O-N 3.44Å; L432-F435 WeakPolarHBondContact O-CB 3.4Å; L432-F435 PolarHBondContact O-N 2.96Å; E433-F435 PolarHBondContact O-N 3.23Å; F435-L612 HydrophobicContact CE2-CD1 3.83Å; F435-L612 HydrophobicContact CZ-CD1 3.7Å; F435-L612 HydrophobicContact CZ-CD2 4.25Å
436Q91.1Very high77.8Confident81 Ų8160.2 Ų60.238%0.37930%0.299SS..SBendtrans-60.8154.3175.8-61.8-61.5-43.700110.7K62 E433 C434 D438 G439K62-Q436 WeakPolarHBondContact CB-O 3.4Å; E433-Q436 VanDerWaalsContact O-CB 3.25Å; E433-Q436 WeakPolarHBondContact O-CB 3.47Å; E433-Q436 WeakPolarHBondContact O-CG 3.4Å; E433-Q436 PolarHBondContact O-N 3.29Å; C434-Q436 PolarHBondContact O-N 3.43Å; Q436-D438 WeakPolarHBondContact CB-OD1 3.48Å; Q436-D438 PolarHBondContact O-N 2.61Å; Q436-D438 VanDerWaalsContact O-N 3.1Å; Q436-G439 WeakPolarHBondContact O-CA 3.48Å; Q436-G439 PolarHBondContact O-N 3.31Å
437P87.7Confident76.3Confident87 Ų8757.9 Ų57.957%0.56528%0.283SS*.THydrogen-bonded Turntrans-54.6-32.7-174.6-29.936.7000115.2G60 G439G60-P437 WeakPolarHBondContact O-CD 3.4Å; G60-P437 WeakPolarHBondContact O-CG 3.42Å; P437-G439 VanDerWaalsContact C-N 3.28Å; P437-G439 PolarHBondContact O-N 3.28Å
438D82.4Confident75.1Confident55 Ų5564.2 Ų64.229%0.29431%0.306SS..THydrogen-bonded Turntrans-73.4-17.3174.749.94.7000113.4Q436 G442 K443Q436-D438 WeakPolarHBondContact CB-OD1 3.48Å; Q436-D438 PolarHBondContact O-N 2.61Å; Q436-D438 VanDerWaalsContact O-N 3.1Å; D438-G442 WeakPolarHBondContact OD2-CA 3.23Å; D438-K443 PolarHBondContact OD2-N 3.4Å
439G81.8Confident74.3Confident0 Ų064.1 Ų64.10%031%0.305CS..G310 helixtrans72.7-145.2176.300000112.8C434 Q436 P437 K441 G442C434-G439 WeakPolarHBondContact O-CA 3.3Å; Q436-G439 WeakPolarHBondContact O-CA 3.48Å; Q436-G439 PolarHBondContact O-N 3.31Å; P437-G439 VanDerWaalsContact C-N 3.28Å; P437-G439 PolarHBondContact O-N 3.28Å; G439-K441 PolarHBondContact O-N 2.99Å; G439-G442 PolarHBondContact O-N 2.89Å
440P76.5Confident74.1Confident2 Ų261.1 Ų61.11%0.01329%0.294CS..G310 helixtrans-69.23.6-176.330.6-35.7000114.1Y65 C434 T449 L620Y65-P440 WeakPolarHBondContact OH-CD 3.07Å; C434-P440 HydrophobicContact CB-CB 4.48Å; P440-T449 VanDerWaalsContact CB-OG1 3.31Å; P440-T449 WeakPolarHBondContact CB-OG1 3.16Å; P440-L620 HydrophobicContact CG-CB 3.82Å; P440-L620 VanDerWaalsContact CG-O 3.3Å; P440-L620 WeakPolarHBondContact CG-O 3.09Å
441K69.3Low73.7Confident95 Ų9562.6 Ų62.641%0.41330%0.299SS..G310 helixtrans-85.7-27.8170-68.9-172.2175.8-173.20111.8G439 E623G439-K441 PolarHBondContact O-N 2.99Å; K441-E623 IonicContact NZ-OE2 3.53Å; K441-E623 PolarHBondContact NZ-OE2 3.29Å
442G58.7Low73.2Confident18 Ų1867 Ų6719%0.18633%0.33CS..  trans50.9173.8-17900000115.6D438 G439 Q444D438-G442 WeakPolarHBondContact OD2-CA 3.23Å; G439-G442 PolarHBondContact O-N 2.89Å; G442-Q444 PolarHBondContact O-N 3.39Å
443K51.4Low72.8Confident204 Ų20469.9 Ų69.989%0.88734%0.343SS*.SBendtrans-67.4-16.8163.4-70.6-175.6179177.50111.5D438D438-K443 PolarHBondContact OD2-N 3.4Å
444Q50.9Low72.6Confident118 Ų11867.9 Ų67.955%0.55133%0.333SS*.SBendtrans-105.9111.6-178.2-59.6-167.9900110.6G442 N446 L447G442-Q444 PolarHBondContact O-N 3.39Å; Q444-N446 PolarHBondContact O-N 2.78Å; Q444-L447 HydrophobicContact CB-CB 4.38Å; Q444-L447 PolarHBondContact O-N 3.03Å
445K51.9Low72Confident185 Ų18575.9 Ų75.980%0.80437%0.368SS*.THydrogen-bonded Turntrans-53.9-20.5176.1-75.3-176.8176.5178.30114.7
446N50.2Low71.3Confident143 Ų14380.6 Ų80.677%0.76539%0.393SS*.THydrogen-bonded Turntrans-86.9-10.6-177.2-63.5-10.7000112.8Q444 R448Q444-N446 PolarHBondContact O-N 2.78Å; N446-R448 VanDerWaalsContact C-N 3.29Å; N446-R448 PolarHBondContact O-N 3.38Å
447L53.3Low70.9Confident18 Ų1877.2 Ų77.29%0.09438%0.377CS..  trans-86.773.4-178.7-145.194.2000110.6K430 E433 Q444K430-L447 HydrophobicContact CB-CD2 4.45Å; K430-L447 HydrophobicContact CG-CD1 4.39Å; K430-L447 HydrophobicContact CG-CG 4.38Å; E433-L447 HydrophobicContact CB-CD2 3.34Å; E433-L447 HydrophobicContact CG-CD2 4.03Å; E433-L447 WeakPolarHBondContact OE2-CD1 3.26Å; E433-L447 WeakPolarHBondContact OE2-CD2 3.46Å; E433-L447 WeakPolarHBondContact OE2-CG 3.36Å; Q444-L447 HydrophobicContact CB-CB 4.38Å; Q444-L447 PolarHBondContact O-N 3.03Å
448R61.5Low70.5Confident146 Ų14674.5 Ų74.555%0.55136%0.357SS*.  trans-94124.7177.5-60.2-172.4178.1-171.2-1.7108.6N446 S450 E453N446-R448 VanDerWaalsContact C-N 3.29Å; N446-R448 PolarHBondContact O-N 3.38Å; R448-S450 PolarHBondContact O-N 3.25Å; R448-E453 WeakPolarHBondContact O-CG 3.42Å
449T71.1Confident70.3Confident2 Ų272.8 Ų72.81%0.01235%0.35CS..  trans-87.742.7160.553.30000110K430 I431 C434 P440 P617K430-T449 HydrophobicContact CB-CG2 4.35Å; I431-T449 HydrophobicContact CD1-CG2 4.38Å; C434-T449 VanDerWaalsContact SG-CG2 3.54Å; P440-T449 VanDerWaalsContact CB-OG1 3.31Å; P440-T449 WeakPolarHBondContact CB-OG1 3.16Å; T449-P617 HydrophobicContact CG2-CB 4.28Å; T449-P617 PolarHBondContact OG1-O 2.95Å
450S78.6Confident70.1Confident23 Ų2373.9 Ų73.916%0.16135%0.354CS..  trans-65.6150.8176.253.90000109.6R448 S452 E453R448-S450 PolarHBondContact O-N 3.25Å; S450-S452 PolarHBondContact O-N 3.39Å; S450-S452 PolarHBondContact OG-OG 3.29Å; S450-S452 VanDerWaalsContact OG-OG 3.11Å; S450-E453 WeakPolarHBondContact O-CB 3.45Å; S450-E453 PolarHBondContact O-N 2.83Å
451Y79.4Confident70.3Confident75 Ų7575.9 Ų75.929%0.29436%0.364SS..G310 helixtrans-50.7-33.2-178.1-162.3-74000113.6E453 Y454 F457 H458 H614 V618Y451-E453 PolarHBondContact O-N 2.84Å; Y451-Y454 PolarHBondContact O-N 3.12Å; Y451-F457 HydrophobicContact CE1-CD1 4.01Å; Y451-F457 HydrophobicContact CE2-CD1 4.37Å; Y451-F457 HydrophobicContact CE2-CE1 4.29Å; Y451-F457 AromaticContact CZ-CD1 3.62Å; Y451-F457 AromaticContact CZ-CE1 3.85Å; Y451-F457 WeakPolarHBondContact OH-CD1 3.13Å; Y451-F457 VanDerWaalsContact OH-CE1 3.29Å; Y451-F457 WeakPolarHBondContact OH-CE1 3.29Å; Y451-H458 AromaticContact CD1-CE1 3.73Å; Y451-H458 AromaticContact CE1-CE1 3.03Å; Y451-H458 WeakPolarHBondContact CE1-CE1 3.35Å; Y451-H458 AromaticContact CE1-ND1 3.56Å; Y451-H458 AromaticContact CE1-NE2 3.52Å; Y451-H458 AromaticContact CZ-CE1 3.84Å; Y451-H458 AromaticContact CZ-NE2 3.86Å; Y451-H614 AromaticContact CE2-NE2 3.94Å; Y451-V618 HydrophobicContact CD2-CG1 4.25Å
452S79.9Confident70.6Confident93 Ų9371.7 Ų71.765%0.6535%0.347SS*.G310 helixtrans-62.9-18.2178.859.90000115.7S450S450-S452 PolarHBondContact O-N 3.39Å; S450-S452 PolarHBondContact OG-OG 3.29Å; S450-S452 VanDerWaalsContact OG-OG 3.11Å
453E80.8Confident71.3Confident74 Ų7473.9 Ų73.935%0.34635%0.354SS..G310 helixtrans-76.9-24.2-179.3-67.5-71.6147.300112.5L427 K430 R448 S450 Y451 K455L427-E453 HydrophobicContact CD2-CB 4.36Å; K430-E453 IonicContact NZ-OE1 2.76Å; K430-E453 IonicContact NZ-OE2 2.66Å; K430-E453 PolarHBondContact NZ-OE2 2.83Å; R448-E453 WeakPolarHBondContact O-CG 3.42Å; S450-E453 WeakPolarHBondContact O-CB 3.45Å; S450-E453 PolarHBondContact O-N 2.83Å; Y451-E453 PolarHBondContact O-N 2.84Å; E453-K455 VanDerWaalsContact C-N 3.28Å; E453-K455 PolarHBondContact O-N 3.26Å
454Y83.3Confident72.1Confident7 Ų766 Ų663%0.02732%0.32CS..SBendtrans-81.278.6178-57.4-90.5000109.5L424 L427 Y451 D456 F457 F613 H614 V618L424-Y454 HydrophobicContact CD2-CD1 4.13Å; L424-Y454 HydrophobicContact CD2-CE1 4.21Å; L427-Y454 HydrophobicContact CD1-CD1 3.11Å; L427-Y454 HydrophobicContact CD1-CD2 4.41Å; L427-Y454 HydrophobicContact CD1-CE1 3.09Å; L427-Y454 HydrophobicContact CD1-CE2 4.39Å; L427-Y454 HydrophobicContact CD1-CG 3.83Å; Y451-Y454 PolarHBondContact O-N 3.12Å; Y454-D456 PolarHBondContact O-N 2.56Å; Y454-F457 VanDerWaalsContact O-CB 3.26Å; Y454-F457 WeakPolarHBondContact O-CB 3.35Å; Y454-F457 PolarHBondContact O-N 2.99Å; Y454-F613 WeakPolarHBondContact CE1-O 3.25Å; Y454-F613 PolarHBondContact OH-O 3.03Å; Y454-H614 AromaticContact CD1-CD2 3.47Å; Y454-H614 VanDerWaalsContact CD1-CD2 3.47Å; Y454-H614 WeakPolarHBondContact CD1-CD2 3.49Å; Y454-H614 AromaticContact CD2-CD2 3.69Å; Y454-H614 HydrophobicContact CE1-CB 4.01Å; Y454-H614 AromaticContact CE1-CD2 3.59Å; Y454-H614 AromaticContact CE2-CD2 3.83Å; Y454-H614 AromaticContact CG-CD2 3.51Å; Y454-H614 AromaticContact CZ-CD2 3.77Å; Y454-V618 HydrophobicContact CD2-CG1 4.1Å; Y454-V618 HydrophobicContact CE2-CG1 3.45Å; Y454-V618 VanDerWaalsContact CE2-CG1 3.45Å
455K79.7Confident73.1Confident167 Ų16761.2 Ų61.273%0.72630%0.3SS*.THydrogen-bonded Turntrans-54.1136.4179.3-64.6-178.1-176.8176.30110V423 E453 F457V423-K455 WeakPolarHBondContact CG1-O 3.04Å; E453-K455 VanDerWaalsContact C-N 3.28Å; E453-K455 PolarHBondContact O-N 3.26Å; K455-F457 PolarHBondContact O-N 3.49Å
456D78.5Confident73.6Confident100 Ų10056 Ų5654%0.53528%0.281SS..THydrogen-bonded Turntrans60.27.7-179.9-55.9-45.8000116.7Y454 H458 A459 Y460Y454-D456 PolarHBondContact O-N 2.56Å; D456-H458 VanDerWaalsContact C-N 3.34Å; D456-H458 PolarHBondContact O-N 3.3Å; D456-A459 HydrophobicContact CB-CB 4.22Å; D456-A459 WeakPolarHBondContact O-CA 3.4Å; D456-A459 VanDerWaalsContact O-CB 3.24Å; D456-A459 WeakPolarHBondContact O-CB 3.5Å; D456-A459 PolarHBondContact O-N 2.95Å; D456-Y460 PolarHBondContact O-N 3.44Å
457F82.9Confident74.2Confident10 Ų1051.5 Ų51.54%0.04425%0.253CS..Hα-helixtrans-57.3-44.9177.7-175.1-95.8000112.6M420 V423 Y451 Y454 K455 A459 Y460 M461 H614M420-F457 HydrophobicContact CE-CE2 3.97Å; V423-F457 HydrophobicContact CG1-CB 4.32Å; V423-F457 HydrophobicContact CG1-CD2 4.39Å; Y451-F457 HydrophobicContact CE1-CD1 4.01Å; Y451-F457 HydrophobicContact CE2-CD1 4.37Å; Y451-F457 HydrophobicContact CE2-CE1 4.29Å; Y451-F457 AromaticContact CZ-CD1 3.62Å; Y451-F457 AromaticContact CZ-CE1 3.85Å; Y451-F457 WeakPolarHBondContact OH-CD1 3.13Å; Y451-F457 VanDerWaalsContact OH-CE1 3.29Å; Y451-F457 WeakPolarHBondContact OH-CE1 3.29Å; Y454-F457 VanDerWaalsContact O-CB 3.26Å; Y454-F457 WeakPolarHBondContact O-CB 3.35Å; Y454-F457 PolarHBondContact O-N 2.99Å; K455-F457 PolarHBondContact O-N 3.49Å; F457-A459 VanDerWaalsContact C-N 3.25Å; F457-A459 PolarHBondContact O-N 2.78Å; F457-Y460 WeakPolarHBondContact O-CB 3.12Å; F457-Y460 PolarHBondContact O-N 2.7Å; F457-M461 HydrophobicContact CD1-CG 3.94Å; F457-M461 HydrophobicContact CE1-CG 3.52Å; F457-M461 HydrophobicContact CE1-SD 4.23Å; F457-M461 HydrophobicContact CE2-CG 4.37Å; F457-M461 HydrophobicContact CE2-SD 4.39Å; F457-M461 HydrophobicContact CZ-CG 3.75Å; F457-M461 HydrophobicContact CZ-SD 3.87Å; F457-M461 WeakPolarHBondContact O-CG 3.32Å; F457-M461 PolarHBondContact O-N 3.48Å; F457-H614 AromaticContact CD1-NE2 3.82Å; F457-H614 AromaticContact CD2-NE2 3.94Å; F457-H614 AromaticContact CE1-CE1 3.46Å; F457-H614 VanDerWaalsContact CE1-CE1 3.46Å; F457-H614 WeakPolarHBondContact CE1-CE1 3.13Å; F457-H614 AromaticContact CE1-NE2 3.61Å; F457-H614 AromaticContact CE2-CD2 3.87Å; F457-H614 AromaticContact CE2-CE1 3.75Å; F457-H614 AromaticContact CE2-CG 3.99Å; F457-H614 AromaticContact CE2-ND1 3.9Å; F457-H614 AromaticContact CE2-NE2 3.74Å; F457-H614 AromaticContact CG-NE2 3.98Å; F457-H614 AromaticContact CZ-CE1 3.23Å; F457-H614 WeakPolarHBondContact CZ-CE1 3.25Å; F457-H614 AromaticContact CZ-ND1 3.65Å; F457-H614 AromaticContact CZ-NE2 3.57Å
458H79.2Confident74.7Confident29 Ų2951.5 Ų51.513%0.13426%0.255CS..Hα-helixtrans-62.8-30.5173.4-72.5105000113.3Y451 D456 S462 R492 S514Y451-H458 AromaticContact CD1-CE1 3.73Å; Y451-H458 AromaticContact CE1-CE1 3.03Å; Y451-H458 WeakPolarHBondContact CE1-CE1 3.35Å; Y451-H458 AromaticContact CE1-ND1 3.56Å; Y451-H458 AromaticContact CE1-NE2 3.52Å; Y451-H458 AromaticContact CZ-CE1 3.84Å; Y451-H458 AromaticContact CZ-NE2 3.86Å; D456-H458 VanDerWaalsContact C-N 3.34Å; D456-H458 PolarHBondContact O-N 3.3Å; H458-S462 VanDerWaalsContact O-CB 3.26Å; H458-S462 WeakPolarHBondContact O-CB 3.31Å; H458-S462 PolarHBondContact O-N 3.32Å; H458-R492 HydrophobicContact CB-CG 4.16Å; H458-R492 WeakPolarHBondContact O-CD 3.26Å; H458-S514 PolarHBondContact CE1-OG 3.01Å; H458-S514 VanDerWaalsContact CE1-OG 3.23Å
459A77.3Confident74.9Confident19 Ų1948.3 Ų48.316%0.15725%0.252CS..Hα-helixtrans-69.1-48.9175.700000110.1D456 F457 M461 S462 D463 R492D456-A459 HydrophobicContact CB-CB 4.22Å; D456-A459 WeakPolarHBondContact O-CA 3.4Å; D456-A459 VanDerWaalsContact O-CB 3.24Å; D456-A459 WeakPolarHBondContact O-CB 3.5Å; D456-A459 PolarHBondContact O-N 2.95Å; F457-A459 VanDerWaalsContact C-N 3.25Å; F457-A459 PolarHBondContact O-N 2.78Å; A459-M461 VanDerWaalsContact C-N 3.35Å; A459-M461 PolarHBondContact O-N 2.72Å; A459-S462 WeakPolarHBondContact O-CB 3.48Å; A459-S462 PolarHBondContact O-N 2.7Å; A459-S462 VanDerWaalsContact O-N 3.14Å; A459-D463 PolarHBondContact O-N 3.36Å; A459-R492 VanDerWaalsContact CA-CZ 3.48Å; A459-R492 VanDerWaalsContact CA-NH1 3.29Å
460Y78.5Confident75Confident23 Ų2348.7 Ų48.79%0.0925%0.254CS..Hα-helixtrans-54-49.9173.6169.4-83.1000111.8P416 N419 M420 D456 F457 S462 D463 F464P416-Y460 WeakPolarHBondContact O-CE2 3.34Å; N419-Y460 HydrophobicContact CB-CD2 4.35Å; M420-Y460 HydrophobicContact CB-CD1 4.46Å; M420-Y460 HydrophobicContact CB-CD2 3.8Å; M420-Y460 HydrophobicContact CB-CE1 4.13Å; M420-Y460 HydrophobicContact CB-CE2 3.28Å; M420-Y460 HydrophobicContact CB-CG 4.36Å; M420-Y460 HydrophobicContact CE-CD1 3.76Å; M420-Y460 HydrophobicContact CE-CE1 3.11Å; M420-Y460 HydrophobicContact CE-CE2 4.45Å; M420-Y460 HydrophobicContact SD-CE1 4.39Å; D456-Y460 PolarHBondContact O-N 3.44Å; F457-Y460 WeakPolarHBondContact O-CB 3.12Å; F457-Y460 PolarHBondContact O-N 2.7Å; Y460-S462 VanDerWaalsContact C-N 3.28Å; Y460-S462 PolarHBondContact O-N 2.95Å; Y460-D463 PolarHBondContact O-N 3.27Å; Y460-F464 PolarHBondContact O-N 3.42Å
461M80.4Confident74.1Confident45 Ų4548.1 Ų48.122%0.22225%0.25CC..Hα-helixtrans-65.7-33.5-179.6-67.9-56.1-68.800111.8M420 F457 A459 S465 D559M420-M461 HydrophobicContact CE-SD 4.47Å; F457-M461 HydrophobicContact CD1-CG 3.94Å; F457-M461 HydrophobicContact CE1-CG 3.52Å; F457-M461 HydrophobicContact CE1-SD 4.23Å; F457-M461 HydrophobicContact CE2-CG 4.37Å; F457-M461 HydrophobicContact CE2-SD 4.39Å; F457-M461 HydrophobicContact CZ-CG 3.75Å; F457-M461 HydrophobicContact CZ-SD 3.87Å; F457-M461 WeakPolarHBondContact O-CG 3.32Å; F457-M461 PolarHBondContact O-N 3.48Å; A459-M461 VanDerWaalsContact C-N 3.35Å; A459-M461 PolarHBondContact O-N 2.72Å; M461-S465 WeakPolarHBondContact O-CB 3.46Å; M461-S465 PolarHBondContact O-N 3.09Å; M461-S465 PolarHBondContact O-OG 3.4Å; M461-D559 HydrophobicContact CE-CB 4.37Å
462S75.5Confident73.8Confident7 Ų747.1 Ų47.15%0.04926%0.263CS..Hα-helixtrans-65.7-44.1172.9-169.90000111.5H458 A459 Y460 F464 S465 D466 T494H458-S462 VanDerWaalsContact O-CB 3.26Å; H458-S462 WeakPolarHBondContact O-CB 3.31Å; H458-S462 PolarHBondContact O-N 3.32Å; A459-S462 WeakPolarHBondContact O-CB 3.48Å; A459-S462 PolarHBondContact O-N 2.7Å; A459-S462 VanDerWaalsContact O-N 3.14Å; Y460-S462 VanDerWaalsContact C-N 3.28Å; Y460-S462 PolarHBondContact O-N 2.95Å; S462-F464 VanDerWaalsContact C-N 3.32Å; S462-F464 PolarHBondContact O-N 3.37Å; S462-S465 CarbonylContact O-C 3.57Å; S462-S465 PolarHBondContact O-N 2.72Å; S462-S465 VanDerWaalsContact O-N 3.15Å; S462-D466 WeakPolarHBondContact O-CB 3.41Å; S462-D466 VanDerWaalsContact O-CG 3.28Å; S462-D466 PolarHBondContact O-N 2.86Å; S462-T494 PolarHBondContact OG-OG1 2.58Å
463D72Confident73.5Confident63 Ų6344 Ų4434%0.33724%0.239SC..Hα-helixtrans-64.5-37.5177.7-75.33000111.7A459 Y460 R467A459-D463 PolarHBondContact O-N 3.36Å; Y460-D463 PolarHBondContact O-N 3.27Å; D463-R467 VanDerWaalsContact O-CD 3.3Å; D463-R467 WeakPolarHBondContact O-CD 3.03Å; D463-R467 VanDerWaalsContact O-CG 3.28Å; D463-R467 WeakPolarHBondContact O-CG 2.96Å; D463-R467 PolarHBondContact O-NE 3.48Å
464F69.6Low73.1Confident40 Ų4040.6 Ų40.618%0.17522%0.223CC..Hα-helixtrans-67.9-37.5173-169-97.3000111.4M417 Y460 S462 R467M417-F464 HydrophobicContact CG-CD2 4.42Å; M417-F464 HydrophobicContact CG-CE2 4.09Å; M417-F464 HydrophobicContact SD-CE2 4.33Å; Y460-F464 PolarHBondContact O-N 3.42Å; S462-F464 VanDerWaalsContact C-N 3.32Å; S462-F464 PolarHBondContact O-N 3.37Å; F464-R467 WeakPolarHBondContact O-CB 3.46Å
465S70.6Confident72.4Confident17 Ų1744.3 Ų44.312%0.11924%0.24CC..Hα-helixtrans-74.7-39.4179.8-71.50000114M461 S462 R467 A468 Y470M461-S465 WeakPolarHBondContact O-CB 3.46Å; M461-S465 PolarHBondContact O-N 3.09Å; M461-S465 PolarHBondContact O-OG 3.4Å; S462-S465 CarbonylContact O-C 3.57Å; S462-S465 PolarHBondContact O-N 2.72Å; S462-S465 VanDerWaalsContact O-N 3.15Å; S465-R467 PolarHBondContact O-N 3Å; S465-A468 PolarHBondContact O-N 3.13Å; S465-Y470 WeakPolarHBondContact CA-OH 3.41Å; S465-Y470 WeakPolarHBondContact CB-OH 3.31Å; S465-Y470 WeakPolarHBondContact O-CE2 3.37Å; S465-Y470 PolarHBondContact OG-OH 3.03Å
466D63.3Low71.6Confident76 Ų7638.5 Ų38.541%0.40622%0.22SC..THydrogen-bonded Turntrans-59.4-16.4-179.8-77.7-15.7000111.8S462 T494 R524S462-D466 WeakPolarHBondContact O-CB 3.41Å; S462-D466 VanDerWaalsContact O-CG 3.28Å; S462-D466 PolarHBondContact O-N 2.86Å; D466-T494 WeakPolarHBondContact OD1-CB 3.47Å; D466-T494 WeakPolarHBondContact OD1-CG2 3.37Å; D466-T494 PolarHBondContact OD1-OG1 3.32Å; D466-R524 IonicContact OD1-NH1 3.5Å
467R63Low70.8Confident48 Ų4841.3 Ų41.318%0.18123%0.23CC..THydrogen-bonded Turntrans-92.2-17.3179.3-64.9178.7-176.1-126.7-10.2113.9Y342 T410 K411 G413 D463 F464 S465Y342-R467 PolarHBondContact OH-NH2 3.06Å; T410-R467 PolarHBondContact O-NH1 3.25Å; T410-R467 PolarHBondContact O-NH2 3.32Å; K411-R467 WeakPolarHBondContact O-CB 3.47Å; K411-R467 WeakPolarHBondContact O-CD 3.4Å; K411-R467 WeakPolarHBondContact O-CG 3.29Å; G413-R467 VanDerWaalsContact N-NH1 3.15Å; G413-R467 PolarHBondContact O-NH1 3.42Å; D463-R467 VanDerWaalsContact O-CD 3.3Å; D463-R467 WeakPolarHBondContact O-CD 3.03Å; D463-R467 VanDerWaalsContact O-CG 3.28Å; D463-R467 WeakPolarHBondContact O-CG 2.96Å; D463-R467 PolarHBondContact O-NE 3.48Å; F464-R467 WeakPolarHBondContact O-CB 3.46Å; S465-R467 PolarHBondContact O-N 3Å
468A63.5Low70.3Confident17 Ų1744.1 Ų44.114%0.1425%0.245CC..SBendtrans-93.4137.2-177.500000112.4S465 Y470S465-A468 PolarHBondContact O-N 3.13Å; A468-Y470 HydrophobicContact CB-CD1 4.45Å; A468-Y470 HydrophobicContact CB-CD2 4.3Å; A468-Y470 HydrophobicContact CB-CE1 3.88Å; A468-Y470 HydrophobicContact CB-CE2 3.76Å; A468-Y470 WeakPolarHBondContact O-CD2 3.45Å; A468-Y470 PolarHBondContact O-N 3.06Å
469T66.6Low70Confident80 Ų8042.8 Ų42.849%0.49124%0.239SC..  trans-81.878178.8-53.70000111.2
470Y71.6Confident70Confident10 Ų1047.5 Ų47.54%0.03926%0.258CS..G310 helixtrans-71.5-31.6-178.9-62.7-64.1000114.2S465 A468 G472 L473 T494 P495 F558S465-Y470 WeakPolarHBondContact CA-OH 3.41Å; S465-Y470 WeakPolarHBondContact CB-OH 3.31Å; S465-Y470 WeakPolarHBondContact O-CE2 3.37Å; S465-Y470 PolarHBondContact OG-OH 3.03Å; A468-Y470 HydrophobicContact CB-CD1 4.45Å; A468-Y470 HydrophobicContact CB-CD2 4.3Å; A468-Y470 HydrophobicContact CB-CE1 3.88Å; A468-Y470 HydrophobicContact CB-CE2 3.76Å; A468-Y470 WeakPolarHBondContact O-CD2 3.45Å; A468-Y470 PolarHBondContact O-N 3.06Å; Y470-G472 PolarHBondContact O-N 3.12Å; Y470-L473 HydrophobicContact CD1-CD1 4.12Å; Y470-L473 WeakPolarHBondContact O-CB 3.48Å; Y470-L473 PolarHBondContact O-N 3.21Å; Y470-T494 HydrophobicContact CE2-CG2 4.45Å; Y470-P495 HydrophobicContact CD1-CB 4.5Å; Y470-P495 HydrophobicContact CD2-CB 3.87Å; Y470-P495 HydrophobicContact CD2-CG 3.88Å; Y470-P495 HydrophobicContact CE2-CB 4.26Å; Y470-P495 HydrophobicContact CE2-CG 3.74Å; Y470-P495 HydrophobicContact CG-CB 3.97Å; Y470-P495 HydrophobicContact CG-CG 4.3Å; Y470-F558 AromaticContact CD1-CD1 3.78Å; Y470-F558 HydrophobicContact CD1-CD1 3.78Å; Y470-F558 AromaticContact CD1-CE1 3.54Å; Y470-F558 HydrophobicContact CD1-CE1 3.54Å; Y470-F558 HydrophobicContact CD1-CE2 4.49Å; Y470-F558 HydrophobicContact CD1-CG 4.4Å; Y470-F558 AromaticContact CD1-CZ 3.91Å; Y470-F558 HydrophobicContact CD1-CZ 3.91Å; Y470-F558 AromaticContact CE1-CD1 3.69Å; Y470-F558 HydrophobicContact CE1-CD1 3.69Å; Y470-F558 AromaticContact CE1-CE1 3.97Å; Y470-F558 HydrophobicContact CE1-CE1 3.97Å; Y470-F558 HydrophobicContact CE1-CG 4.14Å; Y470-F558 HydrophobicContact CG-CZ 4.47Å
471A61.2Low70.3Confident10 Ų1054.8 Ų54.88%0.08329%0.29CS..G310 helixtrans-62.6-16.2-178.400000114.4V498 K502A471-V498 HydrophobicContact CB-CG1 4.08Å; A471-K502 HydrophobicContact CB-CD 3.64Å
472G71.2Confident70.9Confident55 Ų5554.2 Ų54.257%0.56730%0.296SS*.G310 helixtrans-83.2-12.1173.600000114.1Y470Y470-G472 PolarHBondContact O-N 3.12Å
473L74.7Confident71.9Confident27 Ų2755 Ų5514%0.14130%0.299CS..THydrogen-bonded Turntrans-83.1-28.7179.2-63.1172.9000112.4Y470 Q475 F558 V587 M654Y470-L473 HydrophobicContact CD1-CD1 4.12Å; Y470-L473 WeakPolarHBondContact O-CB 3.48Å; Y470-L473 PolarHBondContact O-N 3.21Å; L473-Q475 PolarHBondContact O-N 2.94Å; L473-F558 HydrophobicContact CD1-CE1 3.6Å; L473-F558 HydrophobicContact CD1-CZ 4.36Å; L473-V587 HydrophobicContact CD1-CG2 3.84Å; L473-M654 HydrophobicContact CD1-CE 4.03Å; L473-M654 HydrophobicContact CD2-CE 4.24Å
474L71.5Confident73.1Confident3 Ų353.3 Ų53.32%0.01629%0.291CS..SBendtrans-64.6129.6166.4-84162.3000108.9C476 A479 I483 V485 M499 F503 F508 F554L474-C476 VanDerWaalsContact C-N 3.29Å; L474-C476 PolarHBondContact O-N 2.86Å; L474-A479 HydrophobicContact CD2-CB 4.49Å; L474-I483 HydrophobicContact CD2-CD1 4.43Å; L474-V485 HydrophobicContact CD2-CG1 4.49Å; L474-V485 HydrophobicContact CD2-CG2 4.23Å; L474-M499 HydrophobicContact CD1-CB 3.61Å; L474-M499 HydrophobicContact CD1-CG 3.45Å; L474-M499 VanDerWaalsContact CD1-CG 3.45Å; L474-M499 HydrophobicContact CD1-SD 3.31Å; L474-M499 WeakPolarHBondContact CD1-SD 3.48Å; L474-M499 HydrophobicContact CG-CG 4.45Å; L474-M499 HydrophobicContact CG-SD 3.78Å; L474-F503 HydrophobicContact CB-CE2 3.86Å; L474-F503 HydrophobicContact CB-CZ 4.27Å; L474-F503 HydrophobicContact CD1-CD2 3.57Å; L474-F503 HydrophobicContact CD1-CE2 3.47Å; L474-F503 VanDerWaalsContact CD1-CE2 3.47Å; L474-F503 HydrophobicContact CG-CE2 4.33Å; L474-F508 HydrophobicContact CD1-CE1 4.11Å; L474-F508 HydrophobicContact CD1-CZ 4.36Å; L474-F554 HydrophobicContact CD2-CD1 3.77Å; L474-F554 HydrophobicContact CD2-CE1 3.98Å; L474-F554 HydrophobicContact CD2-CG 4.1Å; L474-F554 HydrophobicContact CD2-CZ 4.49Å
475Q68.5Low74.4Confident85 Ų8551.4 Ų51.440%0.39728%0.283SS..  trans-63.694.3169-67.7-168.75.500108.3L473 Q477 L478 A479 L583L473-Q475 PolarHBondContact O-N 2.94Å; Q475-Q477 PolarHBondContact O-N 2.81Å; Q475-L478 HydrophobicContact CB-CB 4.47Å; Q475-L478 HydrophobicContact CB-CD1 4.12Å; Q475-L478 HydrophobicContact CB-CG 4.32Å; Q475-L478 PolarHBondContact O-N 3.47Å; Q475-A479 PolarHBondContact O-N 2.74Å; Q475-L583 VanDerWaalsContact CD-CD1 3.43Å; Q475-L583 HydrophobicContact CG-CD1 4.22Å
476C63.5Low75.7Confident44 Ų4450.6 Ų50.630%0.29728%0.277SS..Hα-helixtrans-48.3-40.7-169.6-64.80000112.5L474 L478 A479 E480 F503L474-C476 VanDerWaalsContact C-N 3.29Å; L474-C476 PolarHBondContact O-N 2.86Å; C476-L478 VanDerWaalsContact C-N 3.31Å; C476-L478 PolarHBondContact O-N 3.06Å; C476-A479 PolarHBondContact O-N 2.98Å; C476-E480 WeakPolarHBondContact O-CB 2.84Å; C476-E480 VanDerWaalsContact O-CG 3.24Å; C476-E480 WeakPolarHBondContact O-CG 3.41Å; C476-E480 PolarHBondContact O-N 2.66Å; C476-F503 HydrophobicContact CB-CE1 4.26Å; C476-F503 HydrophobicContact CB-CZ 4.33Å
477Q62.5Low77.3Confident159 Ų15947.1 Ų47.174%0.74326%0.258SS*.Hα-helixtrans-62.6-32.7-179.5-65.5-177.7-9.800114Q475Q475-Q477 PolarHBondContact O-N 2.81Å
478L72.4Confident78.9Confident70 Ų7044.9 Ų44.937%0.36625%0.25SS..Hα-helixtrans-76.2-46.8173.7-66.6177.5000110Q475 C476 E480 K481 I483 L583Q475-L478 HydrophobicContact CB-CB 4.47Å; Q475-L478 HydrophobicContact CB-CD1 4.12Å; Q475-L478 HydrophobicContact CB-CG 4.32Å; Q475-L478 PolarHBondContact O-N 3.47Å; C476-L478 VanDerWaalsContact C-N 3.31Å; C476-L478 PolarHBondContact O-N 3.06Å; L478-E480 VanDerWaalsContact C-N 3.32Å; L478-E480 PolarHBondContact O-N 2.96Å; L478-K481 PolarHBondContact O-N 2.91Å; L478-I483 HydrophobicContact CB-CD1 4.48Å; L478-I483 HydrophobicContact CB-CG2 4.38Å; L478-I483 WeakPolarHBondContact O-CG2 3.44Å; L478-L583 HydrophobicContact CD1-CD1 4.23Å
479A73Confident80.3Confident0 Ų045.5 Ų45.50%026%0.258CS..Hα-helixtrans-65.6-31.8-175.800000113.7L474 Q475 C476 K481 G482 I483 F503 S506L474-A479 HydrophobicContact CD2-CB 4.49Å; Q475-A479 PolarHBondContact O-N 2.74Å; C476-A479 PolarHBondContact O-N 2.98Å; A479-K481 VanDerWaalsContact C-N 3.32Å; A479-K481 PolarHBondContact O-N 3.21Å; A479-G482 PolarHBondContact O-N 2.94Å; A479-I483 HydrophobicContact CB-CD1 4.24Å; A479-F503 HydrophobicContact CB-CB 4.19Å; A479-F503 HydrophobicContact CB-CD1 3.51Å; A479-F503 HydrophobicContact CB-CD2 3.97Å; A479-F503 HydrophobicContact CB-CE1 3.75Å; A479-F503 HydrophobicContact CB-CE2 4.18Å; A479-F503 HydrophobicContact CB-CG 3.63Å; A479-F503 HydrophobicContact CB-CZ 4.06Å; A479-S506 PolarHBondContact O-OG 2.77Å
480E77Confident81.7Confident118 Ų11842 Ų4255%0.55124%0.237SC*.Hα-helixtrans-65.8-31.8175.3-76.8167.6-169.600113C476 L478 G482 F503 N505C476-E480 WeakPolarHBondContact O-CB 2.84Å; C476-E480 VanDerWaalsContact O-CG 3.24Å; C476-E480 WeakPolarHBondContact O-CG 3.41Å; C476-E480 PolarHBondContact O-N 2.66Å; L478-E480 VanDerWaalsContact C-N 3.32Å; L478-E480 PolarHBondContact O-N 2.96Å; E480-G482 VanDerWaalsContact C-N 3.28Å; E480-G482 PolarHBondContact O-N 3.5Å; E480-F503 HydrophobicContact CG-CD1 4.28Å; E480-F503 HydrophobicContact CG-CE1 4.22Å; E480-N505 PolarHBondContact O-ND2 3.39Å
481K85.5Confident82.7Confident177 Ų17742 Ų4277%0.7724%0.24SC*.Hα-helixtrans-74.8-17.4176.7-67.3179.1-179-179.70113.5L478 A479L478-K481 PolarHBondContact O-N 2.91Å; A479-K481 VanDerWaalsContact C-N 3.32Å; A479-K481 PolarHBondContact O-N 3.21Å
482G93.2Very high84.1Confident33 Ų3344.5 Ų44.534%0.3425%0.247SC..  trans93.3110.8-174.600000112.1A479 E480 N505A479-G482 PolarHBondContact O-N 2.94Å; E480-G482 VanDerWaalsContact C-N 3.28Å; E480-G482 PolarHBondContact O-N 3.5Å; G482-N505 WeakPolarHBondContact CA-O 3.36Å
483I95.6Very high85.1Confident22 Ų2241.9 Ų41.911%0.11322%0.22CC..  trans-131.7171177.160.5174.7000110.5L474 L478 A479 V485 S506 K507 D553 F554L474-I483 HydrophobicContact CD2-CD1 4.43Å; L478-I483 HydrophobicContact CB-CD1 4.48Å; L478-I483 HydrophobicContact CB-CG2 4.38Å; L478-I483 WeakPolarHBondContact O-CG2 3.44Å; A479-I483 HydrophobicContact CB-CD1 4.24Å; I483-V485 HydrophobicContact CD1-CG2 3.78Å; I483-V485 HydrophobicContact CG1-CG2 3.74Å; I483-S506 WeakPolarHBondContact CG1-OG 3.39Å; I483-S506 PolarHBondContact N-OG 3.16Å; I483-S506 CarbonylContact O-C 3.58Å; I483-S506 VanDerWaalsContact O-CA 3.27Å; I483-S506 WeakPolarHBondContact O-CA 3.47Å; I483-S506 WeakPolarHBondContact O-CB 3.45Å; I483-K507 PolarHBondContact O-N 3.5Å; I483-D553 HydrophobicContact CB-CB 3.88Å; I483-D553 HydrophobicContact CG2-CB 4.16Å; I483-F554 HydrophobicContact CD1-CB 4.01Å
484T97Very high85.9Confident28 Ų2840.9 Ų40.917%0.17222%0.215CC..EExtended strand (participates in β ladder)trans-104.4120.5172-47.20000110K507 Y509 F552 D553 F554T484-K507 CarbonylContact C-O 3.53Å; T484-K507 WeakPolarHBondContact CA-O 3.39Å; T484-K507 HydrophobicContact CG2-CB 4.47Å; T484-Y509 HydrophobicContact CG2-CD2 4.01Å; T484-Y509 HydrophobicContact CG2-CE2 3.75Å; T484-F552 HydrophobicContact CG2-CD1 3.68Å; T484-F552 HydrophobicContact CG2-CE1 3.89Å; T484-D553 PolarHBondContact N-OD2 2.81Å; T484-D553 PolarHBondContact O-N 2.93Å; T484-F554 PolarHBondContact O-N 3.46Å
485V96.9Very high86.7Confident0 Ų041.1 Ų41.10%022%0.217CC..EExtended strand (participates in β ladder)trans-115.5136.4-174.2-172.10000110.7L474 I483 K507 F508 Y509 F554L474-V485 HydrophobicContact CD2-CG1 4.49Å; L474-V485 HydrophobicContact CD2-CG2 4.23Å; I483-V485 HydrophobicContact CD1-CG2 3.78Å; I483-V485 HydrophobicContact CG1-CG2 3.74Å; V485-K507 PolarHBondContact N-O 3.35Å; V485-F508 HydrophobicContact CB-CD1 3.57Å; V485-F508 HydrophobicContact CB-CE1 3.72Å; V485-F508 HydrophobicContact CB-CG 4.34Å; V485-F508 HydrophobicContact CG1-CD1 3.92Å; V485-F508 HydrophobicContact CG1-CE1 3.98Å; V485-F508 HydrophobicContact CG2-CD1 4Å; V485-F508 HydrophobicContact CG2-CE1 3.65Å; V485-F508 HydrophobicContact CG2-CZ 4.16Å; V485-F508 CarbonylContact O-C 3.57Å; V485-F508 WeakPolarHBondContact O-CA 3.26Å; V485-Y509 PolarHBondContact O-N 3.3Å; V485-F554 VanDerWaalsContact CA-O 3.26Å; V485-F554 WeakPolarHBondContact CA-O 3.2Å; V485-F554 HydrophobicContact CG1-CB 4.41Å; V485-F554 HydrophobicContact CG1-CD1 4.3Å; V485-F554 HydrophobicContact CG2-CB 4.28Å
486L97.6Very high87.9Confident0 Ų037.1 Ų37.10%020%0.199CC..EExtended strand (participates in β ladder)trans-114.4126.7170.2176.563.6000110.5I488 Y509 I511 W548 F552 F554 I555 T556 M574 V577L486-I488 HydrophobicContact CD1-CG2 4.47Å; L486-I488 HydrophobicContact CD2-CG2 3.78Å; L486-I488 HydrophobicContact CG-CG2 3.79Å; L486-Y509 CarbonylContact C-O 3.58Å; L486-Y509 WeakPolarHBondContact CA-O 3.31Å; L486-I511 HydrophobicContact CD1-CD1 4.37Å; L486-I511 HydrophobicContact CD1-CG1 4.15Å; L486-I511 HydrophobicContact CD1-CG2 3.96Å; L486-W548 HydrophobicContact CD1-CH2 4.38Å; L486-W548 HydrophobicContact CD1-CZ3 3.77Å; L486-W548 HydrophobicContact CD2-CZ3 4.35Å; L486-F552 HydrophobicContact CB-CD1 3.54Å; L486-F552 HydrophobicContact CB-CD2 4.13Å; L486-F552 HydrophobicContact CB-CE1 3.64Å; L486-F552 HydrophobicContact CB-CE2 4.23Å; L486-F552 HydrophobicContact CB-CG 3.79Å; L486-F552 HydrophobicContact CB-CZ 4Å; L486-F552 HydrophobicContact CD1-CE1 4.4Å; L486-F552 HydrophobicContact CD1-CZ 4.2Å; L486-F552 HydrophobicContact CD2-CD2 4.16Å; L486-F552 HydrophobicContact CD2-CE2 3.96Å; L486-F552 HydrophobicContact CD2-CZ 4.26Å; L486-F552 HydrophobicContact CG-CE1 4.47Å; L486-F552 HydrophobicContact CG-CZ 4.39Å; L486-F554 PolarHBondContact N-O 3.5Å; L486-I555 HydrophobicContact CB-CG1 4.19Å; L486-I555 CarbonylContact O-C 3.53Å; L486-I555 VanDerWaalsContact O-CA 3.25Å; L486-I555 WeakPolarHBondContact O-CA 3.49Å; L486-T556 PolarHBondContact O-N 2.84Å; L486-M574 HydrophobicContact CD2-CE 4.27Å; L486-M574 HydrophobicContact CD2-SD 4.23Å; L486-V577 HydrophobicContact CD2-CG2 4.12Å
487D96.5Very high89.3Confident3 Ų335.1 Ų35.12%0.01619%0.185CC..EExtended strand (participates in β ladder)trans-103.9112.8170.2-169.628.2000109.9C490 Y509 G510 I511 T556 F558D487-C490 HydrophobicContact CB-CB 4.3Å; D487-C490 WeakPolarHBondContact OD2-CB 3.41Å; D487-Y509 PolarHBondContact N-O 3.2Å; D487-G510 WeakPolarHBondContact O-CA 3.13Å; D487-I511 PolarHBondContact O-N 3.24Å; D487-T556 WeakPolarHBondContact CA-OG1 3.34Å; D487-T556 WeakPolarHBondContact CB-OG1 3.37Å; D487-T556 PolarHBondContact OD1-OG1 2.99Å; D487-F558 WeakPolarHBondContact OD1-CD2 3.47Å
488I96.8Very high90.6Very high2 Ų230.4 Ų30.41%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-94.4132.1-178.562.6154.3000112.2L486 I511 I555 T556 A557 V560 I561 V570 M574 F584L486-I488 HydrophobicContact CD1-CG2 4.47Å; L486-I488 HydrophobicContact CD2-CG2 3.78Å; L486-I488 HydrophobicContact CG-CG2 3.79Å; I488-I511 HydrophobicContact CB-CD1 4.39Å; I488-I511 HydrophobicContact CB-CG1 4.2Å; I488-I511 HydrophobicContact CG2-CD1 3.73Å; I488-I511 HydrophobicContact CG2-CG1 3.86Å; I488-I555 HydrophobicContact CG2-CG2 4.34Å; I488-T556 VanDerWaalsContact CG1-O 3.27Å; I488-T556 WeakPolarHBondContact CG1-O 2.99Å; I488-T556 PolarHBondContact N-O 2.93Å; I488-A557 HydrophobicContact CD1-CB 3.88Å; I488-A557 HydrophobicContact CG1-CB 3.7Å; I488-V560 HydrophobicContact CD1-CG1 4.17Å; I488-V560 HydrophobicContact CG1-CG1 4.18Å; I488-I561 HydrophobicContact CD1-CD1 3.92Å; I488-V570 HydrophobicContact CD1-CG1 4.06Å; I488-M574 HydrophobicContact CB-SD 4.41Å; I488-M574 HydrophobicContact CD1-CG 4.1Å; I488-M574 HydrophobicContact CD1-SD 3.87Å; I488-M574 HydrophobicContact CG1-SD 4.31Å; I488-M574 HydrophobicContact CG2-CE 3.86Å; I488-M574 HydrophobicContact CG2-SD 3.4Å; I488-M574 WeakPolarHBondContact CG2-SD 3.19Å; I488-F584 HydrophobicContact CD1-CZ 4.25Å
489G94.5Very high91.5Very high30 Ų3027 Ų2731%0.30915%0.149SC..THydrogen-bonded Turntrans67.145.5-170.800000111.5G491 I511 D512G489-G491 PolarHBondContact O-N 3.47Å; G489-G491 VanDerWaalsContact O-N 3.08Å; G489-I511 WeakPolarHBondContact CA-O 3.31Å; G489-I511 PolarHBondContact N-O 3.42Å; G489-D512 VanDerWaalsContact C-OD2 3.25Å; G489-D512 WeakPolarHBondContact CA-OD2 3.27Å
490C94.3Very high92.5Very high7 Ų727 Ų275%0.04715%0.149CC..  trans-66.9-12-170.166.90000113.9D487 R492 G493 G510 I511 D512 Y535D487-C490 HydrophobicContact CB-CB 4.3Å; D487-C490 WeakPolarHBondContact OD2-CB 3.41Å; C490-R492 PolarHBondContact O-N 2.85Å; C490-G493 WeakPolarHBondContact O-CA 3.49Å; C490-G493 PolarHBondContact O-N 2.82Å; C490-G510 VanDerWaalsContact SG-C 3.58Å; C490-I511 PolarHBondContact N-O 3.49Å; C490-D512 PolarHBondContact N-OD2 3.15Å; C490-Y535 HydrophobicContact CB-CE1 4.21Å
491G92.8Very high93.2Very high10 Ų1027 Ų2710%0.10315%0.149CC..THydrogen-bonded Turntrans53.9-125.7178.200000112.6G489 G493 D512 A517G489-G491 PolarHBondContact O-N 3.47Å; G489-G491 VanDerWaalsContact O-N 3.08Å; G491-G493 PolarHBondContact O-N 2.97Å; G491-D512 WeakPolarHBondContact CA-OD2 3.13Å; G491-D512 PolarHBondContact N-OD2 3.46Å; G491-A517 CarbonylContact O-C 3.56Å; G491-A517 WeakPolarHBondContact O-CB 3.29Å
492R92.1Very high93.5Very high62 Ų6224 Ų2423%0.23414%0.136CC..THydrogen-bonded Turntrans-78.32.6176.7-75.7-176.8174.1-168.32.1113.9H458 A459 C490 F520 A521H458-R492 HydrophobicContact CB-CG 4.16Å; H458-R492 WeakPolarHBondContact O-CD 3.26Å; A459-R492 VanDerWaalsContact CA-CZ 3.48Å; A459-R492 VanDerWaalsContact CA-NH1 3.29Å; C490-R492 PolarHBondContact O-N 2.85Å; R492-F520 HydrophobicContact CB-CD1 3.57Å; R492-F520 HydrophobicContact CB-CE1 3.87Å; R492-F520 HydrophobicContact CG-CB 4.35Å; R492-F520 HydrophobicContact CG-CD1 3.47Å; R492-F520 VanDerWaalsContact CG-CD1 3.47Å; R492-F520 HydrophobicContact CG-CE1 3.91Å; R492-F520 HydrophobicContact CG-CG 4.04Å; R492-A521 WeakPolarHBondContact O-CA 3.33Å; R492-A521 WeakPolarHBondContact O-CB 3.47Å
493G92.4Very high93.4Very high0 Ų022.8 Ų22.80%012%0.121CC..SBendtrans8410.117000000115.8C490 G491 S496 L497 Y535C490-G493 WeakPolarHBondContact O-CA 3.49Å; C490-G493 PolarHBondContact O-N 2.82Å; G491-G493 PolarHBondContact O-N 2.97Å; G493-S496 WeakPolarHBondContact CA-OG 3.32Å; G493-S496 PolarHBondContact O-N 3.14Å; G493-S496 PolarHBondContact O-OG 2.95Å; G493-L497 VanDerWaalsContact O-CB 3.26Å; G493-L497 WeakPolarHBondContact O-CB 3.27Å; G493-L497 WeakPolarHBondContact O-CD1 3.45Å; G493-L497 WeakPolarHBondContact O-CG 3.4Å; G493-L497 PolarHBondContact O-N 3.03Å; G493-Y535 WeakPolarHBondContact CA-OH 3.49Å; G493-Y535 PolarHBondContact O-OH 2.86Å
494T89.7Confident93.4Very high5 Ų526.6 Ų26.63%0.03115%0.146CC..Hα-helixtrans-53.2-55.1-177.3-76.50000112.7S462 D466 Y470 S496 L497 V498 R524S462-T494 PolarHBondContact OG-OG1 2.58Å; D466-T494 WeakPolarHBondContact OD1-CB 3.47Å; D466-T494 WeakPolarHBondContact OD1-CG2 3.37Å; D466-T494 PolarHBondContact OD1-OG1 3.32Å; Y470-T494 HydrophobicContact CE2-CG2 4.45Å; T494-S496 PolarHBondContact O-N 2.81Å; T494-L497 PolarHBondContact O-N 2.92Å; T494-V498 WeakPolarHBondContact O-CG2 3.32Å; T494-V498 PolarHBondContact O-N 3.29Å; T494-V498 VanDerWaalsContact O-N 3.08Å; T494-R524 PolarHBondContact OG1-NH1 3.45Å
495P89.2Confident93.2Very high9 Ų930.8 Ų30.86%0.05817%0.167CC..Hα-helixtrans-61.3-49.4-179-21.332.7000111.9Y470 L497 V498 M499 F558Y470-P495 HydrophobicContact CD1-CB 4.5Å; Y470-P495 HydrophobicContact CD2-CB 3.87Å; Y470-P495 HydrophobicContact CD2-CG 3.88Å; Y470-P495 HydrophobicContact CE2-CB 4.26Å; Y470-P495 HydrophobicContact CE2-CG 3.74Å; Y470-P495 HydrophobicContact CG-CB 3.97Å; Y470-P495 HydrophobicContact CG-CG 4.3Å; P495-L497 PolarHBondContact O-N 3.36Å; P495-V498 PolarHBondContact O-N 3.24Å; P495-M499 HydrophobicContact CB-CE 4.2Å; P495-M499 WeakPolarHBondContact O-CB 3.43Å; P495-M499 VanDerWaalsContact O-CG 3.23Å; P495-M499 WeakPolarHBondContact O-CG 3.35Å; P495-M499 PolarHBondContact O-N 3.07Å; P495-F558 HydrophobicContact CB-CD2 3.74Å; P495-F558 HydrophobicContact CB-CE2 3.47Å; P495-F558 VanDerWaalsContact CB-CE2 3.47Å; P495-F558 HydrophobicContact CB-CZ 4.27Å; P495-F558 HydrophobicContact CG-CD2 3.79Å; P495-F558 HydrophobicContact CG-CE2 4.07Å; P495-F558 HydrophobicContact CG-CG 4.45Å
496S93.2Very high93.2Very high1 Ų130.8 Ų30.81%0.00717%0.167CC..Hα-helixtrans-61.7-37.7-179.747.70000113.4G493 T494 A500 Y535G493-S496 WeakPolarHBondContact CA-OG 3.32Å; G493-S496 PolarHBondContact O-N 3.14Å; G493-S496 PolarHBondContact O-OG 2.95Å; T494-S496 PolarHBondContact O-N 2.81Å; S496-A500 WeakPolarHBondContact O-CB 3.29Å; S496-A500 PolarHBondContact O-N 2.9Å; S496-Y535 WeakPolarHBondContact OG-CE1 3.32Å; S496-Y535 PolarHBondContact OG-OH 3.37Å
497L93.1Very high93.1Very high2 Ų237.2 Ų37.21%0.0120%0.195CC..Hα-helixtrans-64.5-48.4174.2-73.1164.4000111.4G493 T494 P495 M499 A500 Q501 R524 Q525 M528 I530 L533G493-L497 VanDerWaalsContact O-CB 3.26Å; G493-L497 WeakPolarHBondContact O-CB 3.27Å; G493-L497 WeakPolarHBondContact O-CD1 3.45Å; G493-L497 WeakPolarHBondContact O-CG 3.4Å; G493-L497 PolarHBondContact O-N 3.03Å; T494-L497 PolarHBondContact O-N 2.92Å; P495-L497 PolarHBondContact O-N 3.36Å; L497-M499 VanDerWaalsContact C-N 3.34Å; L497-M499 PolarHBondContact O-N 2.71Å; L497-A500 PolarHBondContact O-N 3.05Å; L497-Q501 VanDerWaalsContact O-CB 3.28Å; L497-Q501 WeakPolarHBondContact O-CB 3.26Å; L497-Q501 PolarHBondContact O-N 2.86Å; L497-R524 HydrophobicContact CD1-CB 3.7Å; L497-Q525 HydrophobicContact CD2-CB 3.95Å; L497-Q525 HydrophobicContact CD2-CG 4.44Å; L497-M528 HydrophobicContact CB-SD 4.37Å; L497-M528 HydrophobicContact CD1-SD 4.21Å; L497-M528 HydrophobicContact CD2-SD 4.17Å; L497-M528 HydrophobicContact CG-SD 4.48Å; L497-I530 HydrophobicContact CB-CD1 4.36Å; L497-I530 HydrophobicContact CD2-CD1 3.75Å; L497-L533 HydrophobicContact CD2-CD2 3.85Å; L497-L533 HydrophobicContact CG-CD2 4.25Å
498V90Very high93.2Very high59 Ų5937.2 Ų37.236%0.35820%0.195SC..Hα-helixtrans-61.6-43.9179.7169.90000110.9A471 T494 P495 K502A471-V498 HydrophobicContact CB-CG1 4.08Å; T494-V498 WeakPolarHBondContact O-CG2 3.32Å; T494-V498 PolarHBondContact O-N 3.29Å; T494-V498 VanDerWaalsContact O-N 3.08Å; P495-V498 PolarHBondContact O-N 3.24Å; V498-K502 PolarHBondContact O-N 3.19Å
499M91Very high93.3Very high0 Ų039 Ų390%020%0.202CC..Hα-helixtrans-66.3-46.2177.9-67.7-172.9-65.200111.9L474 P495 L497 Q501 K502 F503 F508 T556 F558L474-M499 HydrophobicContact CD1-CB 3.61Å; L474-M499 HydrophobicContact CD1-CG 3.45Å; L474-M499 VanDerWaalsContact CD1-CG 3.45Å; L474-M499 HydrophobicContact CD1-SD 3.31Å; L474-M499 WeakPolarHBondContact CD1-SD 3.48Å; L474-M499 HydrophobicContact CG-CG 4.45Å; L474-M499 HydrophobicContact CG-SD 3.78Å; P495-M499 HydrophobicContact CB-CE 4.2Å; P495-M499 WeakPolarHBondContact O-CB 3.43Å; P495-M499 VanDerWaalsContact O-CG 3.23Å; P495-M499 WeakPolarHBondContact O-CG 3.35Å; P495-M499 PolarHBondContact O-N 3.07Å; L497-M499 VanDerWaalsContact C-N 3.34Å; L497-M499 PolarHBondContact O-N 2.71Å; M499-Q501 PolarHBondContact O-N 2.9Å; M499-K502 PolarHBondContact O-N 3.08Å; M499-F503 WeakPolarHBondContact O-CD2 3.43Å; M499-F503 PolarHBondContact O-N 2.97Å; M499-F508 HydrophobicContact CB-CD1 4.25Å; M499-F508 HydrophobicContact CB-CE1 3.61Å; M499-F508 HydrophobicContact CB-CZ 4.08Å; M499-T556 HydrophobicContact CE-CG2 4.27Å; M499-T556 HydrophobicContact SD-CG2 4.34Å; M499-F558 HydrophobicContact CE-CE2 4.14Å; M499-F558 HydrophobicContact CE-CZ 4.49Å
500A94Very high93.4Very high0 Ų037.6 Ų37.60%019%0.187CC..Hα-helixtrans-65.8-37.2-179.600000113.1S496 L497 K502 F508 I530 N532 L533S496-A500 WeakPolarHBondContact O-CB 3.29Å; S496-A500 PolarHBondContact O-N 2.9Å; L497-A500 PolarHBondContact O-N 3.05Å; A500-K502 VanDerWaalsContact C-N 3.33Å; A500-F508 HydrophobicContact CB-CB 4.33Å; A500-F508 HydrophobicContact CB-CD2 3.61Å; A500-F508 HydrophobicContact CB-CE2 4.07Å; A500-F508 HydrophobicContact CB-CG 3.94Å; A500-I530 HydrophobicContact CB-CG2 3.57Å; A500-N532 PolarHBondContact O-ND2 3.48Å; A500-N532 PolarHBondContact O-OD1 2.97Å; A500-L533 HydrophobicContact CB-CB 4Å; A500-L533 HydrophobicContact CB-CD2 4.14Å
501Q92.3Very high93.6Very high117 Ų11737.3 Ų37.355%0.54719%0.185SC..Hα-helixtrans-63.8-37.9174.6-172.6176.433.100112.1L497 M499 I530L497-Q501 VanDerWaalsContact O-CB 3.28Å; L497-Q501 WeakPolarHBondContact O-CB 3.26Å; L497-Q501 PolarHBondContact O-N 2.86Å; M499-Q501 PolarHBondContact O-N 2.9Å; Q501-I530 HydrophobicContact CB-CD1 3.99Å
502K90.9Very high93.7Very high114 Ų11437.6 Ų37.650%0.49618%0.184SC..Hα-helixtrans-78.2-39.1-179-171.9-180177-174.20113A471 V498 M499 A500A471-K502 HydrophobicContact CB-CD 3.64Å; V498-K502 PolarHBondContact O-N 3.19Å; M499-K502 PolarHBondContact O-N 3.08Å; A500-K502 VanDerWaalsContact C-N 3.33Å
503F92.5Very high93.8Very high7 Ų739.6 Ų39.63%0.03120%0.198CC..  trans-113.273.2-172.4-58.1-70.7000111.7L474 C476 A479 E480 M499 N505 S506 F508 N532L474-F503 HydrophobicContact CB-CE2 3.86Å; L474-F503 HydrophobicContact CB-CZ 4.27Å; L474-F503 HydrophobicContact CD1-CD2 3.57Å; L474-F503 HydrophobicContact CD1-CE2 3.47Å; L474-F503 VanDerWaalsContact CD1-CE2 3.47Å; L474-F503 HydrophobicContact CG-CE2 4.33Å; C476-F503 HydrophobicContact CB-CE1 4.26Å; C476-F503 HydrophobicContact CB-CZ 4.33Å; A479-F503 HydrophobicContact CB-CB 4.19Å; A479-F503 HydrophobicContact CB-CD1 3.51Å; A479-F503 HydrophobicContact CB-CD2 3.97Å; A479-F503 HydrophobicContact CB-CE1 3.75Å; A479-F503 HydrophobicContact CB-CE2 4.18Å; A479-F503 HydrophobicContact CB-CG 3.63Å; A479-F503 HydrophobicContact CB-CZ 4.06Å; E480-F503 HydrophobicContact CG-CD1 4.28Å; E480-F503 HydrophobicContact CG-CE1 4.22Å; M499-F503 WeakPolarHBondContact O-CD2 3.43Å; M499-F503 PolarHBondContact O-N 2.97Å; F503-N505 PolarHBondContact O-N 3.18Å; F503-S506 PolarHBondContact O-N 3.36Å; F503-F508 HydrophobicContact CB-CE2 4.27Å; F503-F508 HydrophobicContact CB-CZ 4.06Å; F503-F508 HydrophobicContact CD2-CZ 4.45Å; F503-N532 PolarHBondContact O-ND2 3.26Å
504T93.7Very high93.7Very high103 Ų10340.6 Ų40.663%0.63221%0.206SC*.THydrogen-bonded Turntrans-63.7-22.9-173.853.70000114.7S506T504-S506 VanDerWaalsContact C-N 3.3Å
505N93.9Very high93.9Very high115 Ų11547.5 Ų47.562%0.61524%0.238SC*.THydrogen-bonded Turntrans-77.1-15.2175.2-66.8-24.3000113.4E480 G482 F503E480-N505 PolarHBondContact O-ND2 3.39Å; G482-N505 WeakPolarHBondContact CA-O 3.36Å; F503-N505 PolarHBondContact O-N 3.18Å
506S96Very high94Very high1 Ų155.5 Ų55.51%0.00727%0.271CS..SBendtrans-95.4151.3-178.6-71.20000111.7A479 I483 F503 T504 F508 N532A479-S506 PolarHBondContact O-OG 2.77Å; I483-S506 WeakPolarHBondContact CG1-OG 3.39Å; I483-S506 PolarHBondContact N-OG 3.16Å; I483-S506 CarbonylContact O-C 3.58Å; I483-S506 VanDerWaalsContact O-CA 3.27Å; I483-S506 WeakPolarHBondContact O-CA 3.47Å; I483-S506 WeakPolarHBondContact O-CB 3.45Å; F503-S506 PolarHBondContact O-N 3.36Å; T504-S506 VanDerWaalsContact C-N 3.3Å; S506-F508 VanDerWaalsContact CB-CE2 3.47Å; S506-N532 WeakPolarHBondContact O-CB 3.44Å; S506-N532 PolarHBondContact O-ND2 3.36Å
507K97.2Very high93.9Very high134 Ų13455.5 Ų55.558%0.58327%0.272SS*.EExtended strand (participates in β ladder)trans-102.4131.1174.3-66.2179.9-177.81760109.6I483 T484 V485 Y509I483-K507 PolarHBondContact O-N 3.5Å; T484-K507 CarbonylContact C-O 3.53Å; T484-K507 WeakPolarHBondContact CA-O 3.39Å; T484-K507 HydrophobicContact CG2-CB 4.47Å; V485-K507 PolarHBondContact N-O 3.35Å; K507-Y509 HydrophobicContact CB-CE2 4.41Å
508F97.4Very high94Very high4 Ų455.8 Ų55.82%0.01827%0.273CS..EExtended strand (participates in β ladder)trans-117.6141.3-176.8-65.4-95.7000111.2L474 V485 M499 A500 F503 S506 N532 L533 Q534L474-F508 HydrophobicContact CD1-CE1 4.11Å; L474-F508 HydrophobicContact CD1-CZ 4.36Å; V485-F508 HydrophobicContact CB-CD1 3.57Å; V485-F508 HydrophobicContact CB-CE1 3.72Å; V485-F508 HydrophobicContact CB-CG 4.34Å; V485-F508 HydrophobicContact CG1-CD1 3.92Å; V485-F508 HydrophobicContact CG1-CE1 3.98Å; V485-F508 HydrophobicContact CG2-CD1 4Å; V485-F508 HydrophobicContact CG2-CE1 3.65Å; V485-F508 HydrophobicContact CG2-CZ 4.16Å; V485-F508 CarbonylContact O-C 3.57Å; V485-F508 WeakPolarHBondContact O-CA 3.26Å; M499-F508 HydrophobicContact CB-CD1 4.25Å; M499-F508 HydrophobicContact CB-CE1 3.61Å; M499-F508 HydrophobicContact CB-CZ 4.08Å; A500-F508 HydrophobicContact CB-CB 4.33Å; A500-F508 HydrophobicContact CB-CD2 3.61Å; A500-F508 HydrophobicContact CB-CE2 4.07Å; A500-F508 HydrophobicContact CB-CG 3.94Å; F503-F508 HydrophobicContact CB-CE2 4.27Å; F503-F508 HydrophobicContact CB-CZ 4.06Å; F503-F508 HydrophobicContact CD2-CZ 4.45Å; S506-F508 VanDerWaalsContact CB-CE2 3.47Å; F508-N532 PolarHBondContact N-O 3.25Å; F508-L533 HydrophobicContact CB-CB 4.3Å; F508-L533 HydrophobicContact CB-CD1 3.43Å; F508-L533 VanDerWaalsContact CB-CD1 3.43Å; F508-L533 HydrophobicContact CB-CG 4.42Å; F508-L533 CarbonylContact O-C 3.52Å; F508-L533 WeakPolarHBondContact O-CA 3.31Å; F508-Q534 PolarHBondContact O-N 3.43Å
509Y98.2Very high94.3Very high39 Ų3955.8 Ų55.815%0.15328%0.279CS..EExtended strand (participates in β ladder)trans-126.3131.1173.2-67.3-97.6000108.4T484 V485 L486 D487 K507 Q534 W548 F552T484-Y509 HydrophobicContact CG2-CD2 4.01Å; T484-Y509 HydrophobicContact CG2-CE2 3.75Å; V485-Y509 PolarHBondContact O-N 3.3Å; L486-Y509 CarbonylContact C-O 3.58Å; L486-Y509 WeakPolarHBondContact CA-O 3.31Å; D487-Y509 PolarHBondContact N-O 3.2Å; K507-Y509 HydrophobicContact CB-CE2 4.41Å; Y509-Q534 CarbonylContact C-O 3.52Å; Y509-Q534 VanDerWaalsContact CA-O 3.27Å; Y509-Q534 WeakPolarHBondContact CA-O 3.43Å; Y509-Q534 HydrophobicContact CD1-CB 4.06Å; Y509-Q534 HydrophobicContact CE1-CB 4.18Å; Y509-W548 HydrophobicContact CD1-CH2 4.1Å; Y509-W548 AromaticContact CD1-CZ2 3.99Å; Y509-W548 HydrophobicContact CD1-CZ2 3.99Å; Y509-W548 HydrophobicContact CE1-CZ2 4.43Å; Y509-W548 HydrophobicContact CG-CH2 4.47Å; Y509-F552 AromaticContact CD2-CE1 3.58Å; Y509-F552 HydrophobicContact CD2-CE1 3.58Å; Y509-F552 HydrophobicContact CD2-CZ 4.32Å; Y509-F552 HydrophobicContact CE2-CE1 4.3Å; Y509-F552 AromaticContact CG-CE1 3.91Å; Y509-F552 HydrophobicContact CG-CE1 3.91Å; Y509-F552 HydrophobicContact CG-CZ 4.31Å
510G97.8Very high94.4Very high0 Ų059.4 Ų59.40%030%0.295CS..EExtended strand (participates in β ladder)trans-115.8130.2172.300000110.4D487 C490 Q534 Y535 M536D487-G510 WeakPolarHBondContact O-CA 3.13Å; C490-G510 VanDerWaalsContact SG-C 3.58Å; G510-Q534 PolarHBondContact N-O 2.95Å; G510-Y535 WeakPolarHBondContact O-CA 3.37Å; G510-M536 PolarHBondContact O-N 2.95Å
511I98Very high94.5Very high1 Ų159.4 Ų59.41%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-119.8138.9175.765171.8000111.8L486 D487 I488 G489 C490 M536 C538 A540 I544 W548L486-I511 HydrophobicContact CD1-CD1 4.37Å; L486-I511 HydrophobicContact CD1-CG1 4.15Å; L486-I511 HydrophobicContact CD1-CG2 3.96Å; D487-I511 PolarHBondContact O-N 3.24Å; I488-I511 HydrophobicContact CB-CD1 4.39Å; I488-I511 HydrophobicContact CB-CG1 4.2Å; I488-I511 HydrophobicContact CG2-CD1 3.73Å; I488-I511 HydrophobicContact CG2-CG1 3.86Å; G489-I511 WeakPolarHBondContact CA-O 3.31Å; G489-I511 PolarHBondContact N-O 3.42Å; C490-I511 PolarHBondContact N-O 3.49Å; I511-M536 WeakPolarHBondContact CA-O 3.35Å; I511-M536 HydrophobicContact CG2-CB 4.26Å; I511-M536 HydrophobicContact CG2-CE 3.73Å; I511-C538 HydrophobicContact CB-CB 4.05Å; I511-C538 HydrophobicContact CG2-CB 4.15Å; I511-A540 HydrophobicContact CD1-CB 4.1Å; I511-I544 HydrophobicContact CD1-CD1 3.9Å; I511-I544 HydrophobicContact CD1-CG1 4.2Å; I511-W548 HydrophobicContact CG2-CH2 3.98Å; I511-W548 HydrophobicContact CG2-CZ3 4.02Å
512D96.2Very high94.7Very high16 Ų1658.6 Ų58.69%0.08629%0.29CS..EExtended strand (participates in β ladder)trans-152.6154.6175-157.2-74.7000110.6G489 C490 G491 S514 I518 M536 L537 C538G489-D512 VanDerWaalsContact C-OD2 3.25Å; G489-D512 WeakPolarHBondContact CA-OD2 3.27Å; C490-D512 PolarHBondContact N-OD2 3.15Å; G491-D512 WeakPolarHBondContact CA-OD2 3.13Å; G491-D512 PolarHBondContact N-OD2 3.46Å; D512-S514 WeakPolarHBondContact OD1-CB 3.14Å; D512-S514 PolarHBondContact OD1-N 2.72Å; D512-I518 HydrophobicContact CB-CD1 3.76Å; D512-I518 HydrophobicContact CB-CG1 3.98Å; D512-M536 PolarHBondContact N-O 2.96Å; D512-L537 CarbonylContact O-C 3.56Å; D512-L537 WeakPolarHBondContact O-CA 3.33Å; D512-L537 WeakPolarHBondContact O-CD1 3.49Å; D512-C538 CarbonylContact C-O 3.53Å; D512-C538 VanDerWaalsContact C-O 3.29Å; D512-C538 PolarHBondContact O-N 3.1Å
513I93.1Very high95Very high104 Ų10457 Ų5753%0.53329%0.287SS..SBendtrans-84.1-14.3176.8-160.5169.7000112.5L537 C539I513-L537 VanDerWaalsContact C-CD1 3.49Å; I513-L537 VanDerWaalsContact O-CD1 3.27Å; I513-L537 WeakPolarHBondContact O-CD1 3.47Å; I513-C539 HydrophobicContact CD1-CB 4.29Å
514S91.3Very high95.1Very high22 Ų2259.5 Ų59.515%0.15430%0.296CS..  trans-89.7107.8-176.4176.40000111.9H458 D512 K516 A517 I518H458-S514 PolarHBondContact CE1-OG 3.01Å; H458-S514 VanDerWaalsContact CE1-OG 3.23Å; D512-S514 WeakPolarHBondContact OD1-CB 3.14Å; D512-S514 PolarHBondContact OD1-N 2.72Å; S514-K516 VanDerWaalsContact C-N 3.27Å; S514-K516 PolarHBondContact O-N 3.01Å; S514-A517 PolarHBondContact O-N 3.42Å; S514-A517 VanDerWaalsContact O-N 3.12Å; S514-A517 WeakPolarHBondContact OG-CB 3.36Å; S514-A517 PolarHBondContact OG-N 3.4Å; S514-I518 WeakPolarHBondContact O-CG1 3.37Å; S514-I518 PolarHBondContact O-N 3.13Å
515E92.6Very high95.2Very high149 Ų14956.2 Ų56.270%0.69627%0.273SS*.Hα-helixtrans-55.7-42175.1-174.3178.2-170.700112.2A517 I518 A519 L537E515-A517 PolarHBondContact O-N 3.07Å; E515-I518 PolarHBondContact O-N 3.13Å; E515-A519 WeakPolarHBondContact O-CB 3.45Å; E515-A519 PolarHBondContact O-N 2.78Å; E515-L537 HydrophobicContact CB-CD1 4.26Å; E515-L537 HydrophobicContact CB-CD2 4.34Å
516K91.1Very high95.4Very high177 Ų17758.4 Ų58.477%0.7728%0.277SS*.Hα-helixtrans-63.5-39.8177.8-68.6-175.4-179.9179.70112.3S514 F520S514-K516 VanDerWaalsContact C-N 3.27Å; S514-K516 PolarHBondContact O-N 3.01Å; K516-F520 WeakPolarHBondContact O-CB 3.41Å; K516-F520 PolarHBondContact O-N 2.92Å; K516-F520 VanDerWaalsContact O-N 3.13Å
517A91.3Very high95.3Very high2 Ų264.5 Ų64.52%0.01731%0.306CS..Hα-helixtrans-71.4-43.4-17900000111.1G491 S514 E515 A519 F520 A521G491-A517 CarbonylContact O-C 3.56Å; G491-A517 WeakPolarHBondContact O-CB 3.29Å; S514-A517 PolarHBondContact O-N 3.42Å; S514-A517 VanDerWaalsContact O-N 3.12Å; S514-A517 WeakPolarHBondContact OG-CB 3.36Å; S514-A517 PolarHBondContact OG-N 3.4Å; E515-A517 PolarHBondContact O-N 3.07Å; A517-A519 PolarHBondContact O-N 3.24Å; A517-F520 WeakPolarHBondContact O-CB 3.45Å; A517-F520 PolarHBondContact O-N 3.43Å; A517-A521 WeakPolarHBondContact O-CB 3.4Å; A517-A521 PolarHBondContact O-N 2.65Å
518I95.8Very high95.2Very high8 Ų861.2 Ų61.24%0.04129%0.293CS..Hα-helixtrans-60.9-43174.2-67.7-67.7000111.7D512 S514 E515 F520 A521 K522 Y535D512-I518 HydrophobicContact CB-CD1 3.76Å; D512-I518 HydrophobicContact CB-CG1 3.98Å; S514-I518 WeakPolarHBondContact O-CG1 3.37Å; S514-I518 PolarHBondContact O-N 3.13Å; E515-I518 PolarHBondContact O-N 3.13Å; I518-F520 VanDerWaalsContact C-N 3.33Å; I518-F520 PolarHBondContact O-N 2.87Å; I518-A521 PolarHBondContact O-N 2.86Å; I518-K522 HydrophobicContact CG2-CD 4.11Å; I518-K522 HydrophobicContact CG2-CG 4.46Å; I518-K522 WeakPolarHBondContact O-CB 3.37Å; I518-K522 WeakPolarHBondContact O-CG 3.21Å; I518-K522 PolarHBondContact O-N 3.5Å; I518-Y535 HydrophobicContact CD1-CD1 4.31Å
519A95.7Very high95.1Very high59 Ų5967.8 Ų67.849%0.48833%0.328SS..Hα-helixtrans-60.2-44.2176.400000111.6E515 A517 N523E515-A519 WeakPolarHBondContact O-CB 3.45Å; E515-A519 PolarHBondContact O-N 2.78Å; A517-A519 PolarHBondContact O-N 3.24Å; A519-N523 PolarHBondContact O-N 2.94Å
520F94Very high95.1Very high76 Ų7666.4 Ų66.433%0.33332%0.324SS..Hα-helixtrans-63.7-45.7176.3-173.6-87.2000112.2R492 K516 A517 I518 K522 N523 R524R492-F520 HydrophobicContact CB-CD1 3.57Å; R492-F520 HydrophobicContact CB-CE1 3.87Å; R492-F520 HydrophobicContact CG-CB 4.35Å; R492-F520 HydrophobicContact CG-CD1 3.47Å; R492-F520 VanDerWaalsContact CG-CD1 3.47Å; R492-F520 HydrophobicContact CG-CE1 3.91Å; R492-F520 HydrophobicContact CG-CG 4.04Å; K516-F520 WeakPolarHBondContact O-CB 3.41Å; K516-F520 PolarHBondContact O-N 2.92Å; K516-F520 VanDerWaalsContact O-N 3.13Å; A517-F520 WeakPolarHBondContact O-CB 3.45Å; A517-F520 PolarHBondContact O-N 3.43Å; I518-F520 VanDerWaalsContact C-N 3.33Å; I518-F520 PolarHBondContact O-N 2.87Å; F520-K522 PolarHBondContact O-N 3.16Å; F520-N523 PolarHBondContact O-N 2.88Å; F520-R524 HydrophobicContact CD1-CG 4.29Å; F520-R524 HydrophobicContact CE1-CG 3.94Å; F520-R524 HydrophobicContact CZ-CG 4.41Å; F520-R524 PolarHBondContact O-N 3.48Å
521A95.3Very high95Very high0 Ų072 Ų720%036%0.36CS..Hα-helixtrans-61.4-42.8179.300000112R492 A517 I518 R524 Q525 Y535R492-A521 WeakPolarHBondContact O-CA 3.33Å; R492-A521 WeakPolarHBondContact O-CB 3.47Å; A517-A521 WeakPolarHBondContact O-CB 3.4Å; A517-A521 PolarHBondContact O-N 2.65Å; I518-A521 PolarHBondContact O-N 2.86Å; A521-R524 PolarHBondContact O-N 3.35Å; A521-Q525 WeakPolarHBondContact O-CB 3.22Å; A521-Q525 PolarHBondContact O-N 3.04Å; A521-Y535 HydrophobicContact CB-CD1 4.2Å; A521-Y535 HydrophobicContact CB-CD2 3.93Å; A521-Y535 HydrophobicContact CB-CE1 3.94Å; A521-Y535 HydrophobicContact CB-CE2 3.63Å; A521-Y535 HydrophobicContact CB-CG 4.19Å
522K97.5Very high95Very high100 Ų10073.3 Ų73.344%0.43537%0.367SS..Hα-helixtrans-63.3-38.2173.9-74.7-179.6177-177.80112.6I518 F520 Q525 K526 Y535I518-K522 HydrophobicContact CG2-CD 4.11Å; I518-K522 HydrophobicContact CG2-CG 4.46Å; I518-K522 WeakPolarHBondContact O-CB 3.37Å; I518-K522 WeakPolarHBondContact O-CG 3.21Å; I518-K522 PolarHBondContact O-N 3.5Å; F520-K522 PolarHBondContact O-N 3.16Å; K522-Q525 WeakPolarHBondContact O-CB 3.23Å; K522-Q525 PolarHBondContact O-N 3.21Å; K522-K526 PolarHBondContact O-N 3.07Å; K522-Y535 WeakPolarHBondContact CE-O 3.48Å; K522-Y535 HydrophobicContact CG-CD2 3.98Å; K522-Y535 HydrophobicContact CG-CG 4.39Å; K522-Y535 PolarHBondContact NZ-O 3.34Å
523N96.7Very high95Very high79 Ų7972.7 Ų72.742%0.42236%0.364SS..Hα-helixtrans-65-48.1176-171.567000111.5A519 F520 Q525 K526 E527A519-N523 PolarHBondContact O-N 2.94Å; F520-N523 PolarHBondContact O-N 2.88Å; N523-Q525 VanDerWaalsContact C-N 3.32Å; N523-Q525 PolarHBondContact O-N 2.93Å; N523-K526 WeakPolarHBondContact O-CB 3.25Å; N523-K526 PolarHBondContact O-N 2.64Å; N523-K526 VanDerWaalsContact O-N 3.14Å; N523-E527 PolarHBondContact ND2-OE1 3.23Å; N523-E527 WeakPolarHBondContact O-CG 3.46Å; N523-E527 PolarHBondContact O-N 3.33Å
524R94.1Very high95.3Very high61 Ų6173 Ų7323%0.2336%0.363CS..Hα-helixtrans-60.5-40.9175-74.9-173.473.1175.412.2112.3D466 T494 L497 F520 A521 K526 E527 M528D466-R524 IonicContact OD1-NH1 3.5Å; T494-R524 PolarHBondContact OG1-NH1 3.45Å; L497-R524 HydrophobicContact CD1-CB 3.7Å; F520-R524 HydrophobicContact CD1-CG 4.29Å; F520-R524 HydrophobicContact CE1-CG 3.94Å; F520-R524 HydrophobicContact CZ-CG 4.41Å; F520-R524 PolarHBondContact O-N 3.48Å; A521-R524 PolarHBondContact O-N 3.35Å; R524-K526 VanDerWaalsContact C-N 3.3Å; R524-K526 PolarHBondContact O-N 3.36Å; R524-E527 PolarHBondContact O-N 2.94Å; R524-M528 WeakPolarHBondContact O-CB 3.16Å; R524-M528 VanDerWaalsContact O-CG 3.28Å; R524-M528 WeakPolarHBondContact O-CG 3.5Å; R524-M528 PolarHBondContact O-N 3.46Å
525Q96.8Very high95.6Very high33 Ų3372.7 Ų72.715%0.15436%0.359CS..Hα-helixtrans-56.8-44.7174.9-176.1-166.9-5.900111.9L497 A521 K522 N523 M528 N529 I530 L533 Y535L497-Q525 HydrophobicContact CD2-CB 3.95Å; L497-Q525 HydrophobicContact CD2-CG 4.44Å; A521-Q525 WeakPolarHBondContact O-CB 3.22Å; A521-Q525 PolarHBondContact O-N 3.04Å; K522-Q525 WeakPolarHBondContact O-CB 3.23Å; K522-Q525 PolarHBondContact O-N 3.21Å; N523-Q525 VanDerWaalsContact C-N 3.32Å; N523-Q525 PolarHBondContact O-N 2.93Å; Q525-M528 PolarHBondContact O-N 3.14Å; Q525-N529 PolarHBondContact O-N 2.98Å; Q525-N529 VanDerWaalsContact O-N 3.08Å; Q525-I530 HydrophobicContact CG-CB 4.2Å; Q525-I530 WeakPolarHBondContact CG-O 3.34Å; Q525-I530 PolarHBondContact NE2-O 3.28Å; Q525-I530 PolarHBondContact O-N 3.41Å; Q525-L533 PolarHBondContact NE2-O 3.38Å; Q525-Y535 HydrophobicContact CB-CE2 4.22Å
526K96.3Very high95.8Very high161 Ų16168.1 Ų68.170%0.734%0.338SS*.Hα-helixtrans-65.1-45.6177.5-176-176.6176.9-174.60111.3K522 N523 R524 M528 N529K522-K526 PolarHBondContact O-N 3.07Å; N523-K526 WeakPolarHBondContact O-CB 3.25Å; N523-K526 PolarHBondContact O-N 2.64Å; N523-K526 VanDerWaalsContact O-N 3.14Å; R524-K526 VanDerWaalsContact C-N 3.3Å; R524-K526 PolarHBondContact O-N 3.36Å; K526-M528 VanDerWaalsContact C-N 3.3Å; K526-M528 PolarHBondContact O-N 3.37Å; K526-N529 PolarHBondContact O-N 3.37Å; K526-N529 PolarHBondContact O-OD1 3.27Å
527E95.9Very high96.1Very high130 Ų13064 Ų6461%0.60732%0.324SS*.Hα-helixtrans-61.4-37.6177.7-71.4169.5177.300112.3N523 R524N523-E527 PolarHBondContact ND2-OE1 3.23Å; N523-E527 WeakPolarHBondContact O-CG 3.46Å; N523-E527 PolarHBondContact O-N 3.33Å; R524-E527 PolarHBondContact O-N 2.94Å
528M94.5Very high96.3Very high65 Ų6564.5 Ų64.532%0.3233%0.327SS..THydrogen-bonded Turntrans-85.2-4.1179.2-64.5176.77400114L497 R524 Q525 K526 I530L497-M528 HydrophobicContact CB-SD 4.37Å; L497-M528 HydrophobicContact CD1-SD 4.21Å; L497-M528 HydrophobicContact CD2-SD 4.17Å; L497-M528 HydrophobicContact CG-SD 4.48Å; R524-M528 WeakPolarHBondContact O-CB 3.16Å; R524-M528 VanDerWaalsContact O-CG 3.28Å; R524-M528 WeakPolarHBondContact O-CG 3.5Å; R524-M528 PolarHBondContact O-N 3.46Å; Q525-M528 PolarHBondContact O-N 3.14Å; K526-M528 VanDerWaalsContact C-N 3.3Å; K526-M528 PolarHBondContact O-N 3.37Å; M528-I530 HydrophobicContact CB-CD1 3.77Å; M528-I530 HydrophobicContact CB-CG1 3.89Å; M528-I530 HydrophobicContact CE-CD1 3.93Å; M528-I530 PolarHBondContact O-N 3.23Å; M528-I530 HydrophobicContact SD-CD1 4.2Å
529N96Very high96.2Very high141 Ų14166 Ų6675%0.75434%0.338SS*.THydrogen-bonded Turntrans51.552.2-176.2-63.3-58.7000113.9Q525 K526 P531Q525-N529 PolarHBondContact O-N 2.98Å; Q525-N529 VanDerWaalsContact O-N 3.08Å; K526-N529 PolarHBondContact O-N 3.37Å; K526-N529 PolarHBondContact O-OD1 3.27Å; N529-P531 VanDerWaalsContact O-CD 3.22Å; N529-P531 WeakPolarHBondContact O-CD 3.48Å
530I96.5Very high96.2Very high10 Ų1063.8 Ų63.85%0.05132%0.319CS..  trans-101.499.8-179.1-62.7174.6000110.2L497 A500 Q501 Q525 M528 N532 L533L497-I530 HydrophobicContact CB-CD1 4.36Å; L497-I530 HydrophobicContact CD2-CD1 3.75Å; A500-I530 HydrophobicContact CB-CG2 3.57Å; Q501-I530 HydrophobicContact CB-CD1 3.99Å; Q525-I530 HydrophobicContact CG-CB 4.2Å; Q525-I530 WeakPolarHBondContact CG-O 3.34Å; Q525-I530 PolarHBondContact NE2-O 3.28Å; Q525-I530 PolarHBondContact O-N 3.41Å; M528-I530 HydrophobicContact CB-CD1 3.77Å; M528-I530 HydrophobicContact CB-CG1 3.89Å; M528-I530 HydrophobicContact CE-CD1 3.93Å; M528-I530 PolarHBondContact O-N 3.23Å; M528-I530 HydrophobicContact SD-CD1 4.2Å; I530-N532 WeakPolarHBondContact CG2-OD1 3.18Å; I530-L533 HydrophobicContact CG2-CB 3.93Å; I530-L533 HydrophobicContact CG2-CD2 4.45Å
531P96.2Very high96.3Very high119 Ų11960.5 Ų60.577%0.77331%0.306SS*.THydrogen-bonded Turntrans-84.8-18.6-172.733.8-37.4000114.3N529 L533N529-P531 VanDerWaalsContact O-CD 3.22Å; N529-P531 WeakPolarHBondContact O-CD 3.48Å; P531-L533 VanDerWaalsContact C-N 3.26Å; P531-L533 PolarHBondContact O-N 2.97Å
532N97.2Very high96.2Very high27 Ų2765.5 Ų65.514%0.14434%0.337CS..THydrogen-bonded Turntrans-88.215.5-17565.9-37.6000113.7A500 F503 S506 F508 I530A500-N532 PolarHBondContact O-ND2 3.48Å; A500-N532 PolarHBondContact O-OD1 2.97Å; F503-N532 PolarHBondContact O-ND2 3.26Å; S506-N532 WeakPolarHBondContact O-CB 3.44Å; S506-N532 PolarHBondContact O-ND2 3.36Å; F508-N532 PolarHBondContact N-O 3.25Å; I530-N532 WeakPolarHBondContact CG2-OD1 3.18Å
533L97.9Very high96Very high3 Ų362.5 Ų62.52%0.01634%0.335CS..EExtended strand (participates in β ladder)trans-124.5140.4-177.9177.357.5000110.6L497 A500 F508 Q525 I530 P531 Y535L497-L533 HydrophobicContact CD2-CD2 3.85Å; L497-L533 HydrophobicContact CG-CD2 4.25Å; A500-L533 HydrophobicContact CB-CB 4Å; A500-L533 HydrophobicContact CB-CD2 4.14Å; F508-L533 HydrophobicContact CB-CB 4.3Å; F508-L533 HydrophobicContact CB-CD1 3.43Å; F508-L533 VanDerWaalsContact CB-CD1 3.43Å; F508-L533 HydrophobicContact CB-CG 4.42Å; F508-L533 CarbonylContact O-C 3.52Å; F508-L533 WeakPolarHBondContact O-CA 3.31Å; Q525-L533 PolarHBondContact NE2-O 3.38Å; I530-L533 HydrophobicContact CG2-CB 3.93Å; I530-L533 HydrophobicContact CG2-CD2 4.45Å; P531-L533 VanDerWaalsContact C-N 3.26Å; P531-L533 PolarHBondContact O-N 2.97Å; L533-Y535 HydrophobicContact CD1-CE1 4.4Å; L533-Y535 HydrophobicContact CD2-CE2 3.73Å; L533-Y535 WeakPolarHBondContact CD2-OH 3.49Å; L533-Y535 HydrophobicContact CG-CE2 3.97Å
534Q97.7Very high96Very high112 Ų11259.2 Ų59.252%0.52332%0.317SS..EExtended strand (participates in β ladder)trans-134.1130.3175.8-65.3-173.9-8.300110.7F508 Y509 G510F508-Q534 PolarHBondContact O-N 3.43Å; Y509-Q534 CarbonylContact C-O 3.52Å; Y509-Q534 VanDerWaalsContact CA-O 3.27Å; Y509-Q534 WeakPolarHBondContact CA-O 3.43Å; Y509-Q534 HydrophobicContact CD1-CB 4.06Å; Y509-Q534 HydrophobicContact CE1-CB 4.18Å; G510-Q534 PolarHBondContact N-O 2.95Å
535Y98.1Very high96.1Very high14 Ų1458.1 Ų58.16%0.05532%0.318CS..EExtended strand (participates in β ladder)trans-105.5136.6176.7-70-67.9000112.5C490 G493 S496 G510 I518 A521 K522 Q525 L533C490-Y535 HydrophobicContact CB-CE1 4.21Å; G493-Y535 WeakPolarHBondContact CA-OH 3.49Å; G493-Y535 PolarHBondContact O-OH 2.86Å; S496-Y535 WeakPolarHBondContact OG-CE1 3.32Å; S496-Y535 PolarHBondContact OG-OH 3.37Å; G510-Y535 WeakPolarHBondContact O-CA 3.37Å; I518-Y535 HydrophobicContact CD1-CD1 4.31Å; A521-Y535 HydrophobicContact CB-CD1 4.2Å; A521-Y535 HydrophobicContact CB-CD2 3.93Å; A521-Y535 HydrophobicContact CB-CE1 3.94Å; A521-Y535 HydrophobicContact CB-CE2 3.63Å; A521-Y535 HydrophobicContact CB-CG 4.19Å; K522-Y535 WeakPolarHBondContact CE-O 3.48Å; K522-Y535 HydrophobicContact CG-CD2 3.98Å; K522-Y535 HydrophobicContact CG-CG 4.39Å; K522-Y535 PolarHBondContact NZ-O 3.34Å; Q525-Y535 HydrophobicContact CB-CE2 4.22Å; L533-Y535 HydrophobicContact CD1-CE1 4.4Å; L533-Y535 HydrophobicContact CD2-CE2 3.73Å; L533-Y535 WeakPolarHBondContact CD2-OH 3.49Å; L533-Y535 HydrophobicContact CG-CE2 3.97Å
536M97Very high96.1Very high54 Ų5463.1 Ų63.127%0.26635%0.346SS..EExtended strand (participates in β ladder)trans-131.4129.7179.3-179.5175.172.700111.3G510 I511 D512 C538 P545 W548G510-M536 PolarHBondContact O-N 2.95Å; I511-M536 WeakPolarHBondContact CA-O 3.35Å; I511-M536 HydrophobicContact CG2-CB 4.26Å; I511-M536 HydrophobicContact CG2-CE 3.73Å; D512-M536 PolarHBondContact N-O 2.96Å; M536-C538 HydrophobicContact CE-CB 3.66Å; M536-C538 HydrophobicContact CG-CB 4.1Å; M536-C538 PolarHBondContact O-N 2.89Å; M536-P545 HydrophobicContact CE-CG 4.21Å; M536-P545 HydrophobicContact SD-CG 4.38Å; M536-W548 HydrophobicContact CE-CH2 3.35Å; M536-W548 HydrophobicContact CE-CZ2 3.69Å; M536-W548 HydrophobicContact CE-CZ3 3.89Å; M536-W548 HydrophobicContact SD-CH2 4.35Å; M536-W548 HydrophobicContact SD-CZ2 4.21Å
537L97Very high96.1Very high91 Ų9161.1 Ų61.148%0.47634%0.342SS..EExtended strand (participates in β ladder)trans-70112.5168.1-179.267.4000108.2D512 I513 E515D512-L537 CarbonylContact O-C 3.56Å; D512-L537 WeakPolarHBondContact O-CA 3.33Å; D512-L537 WeakPolarHBondContact O-CD1 3.49Å; I513-L537 VanDerWaalsContact C-CD1 3.49Å; I513-L537 VanDerWaalsContact O-CD1 3.27Å; I513-L537 WeakPolarHBondContact O-CD1 3.47Å; E515-L537 HydrophobicContact CB-CD1 4.26Å; E515-L537 HydrophobicContact CB-CD2 4.34Å
538C95.2Very high96.2Very high11 Ų1155.7 Ų55.77%0.07432%0.316CS..  trans-158.3135.3-170.4174.10000112I511 D512 M536 G543I511-C538 HydrophobicContact CB-CB 4.05Å; I511-C538 HydrophobicContact CG2-CB 4.15Å; D512-C538 CarbonylContact C-O 3.53Å; D512-C538 VanDerWaalsContact C-O 3.29Å; D512-C538 PolarHBondContact O-N 3.1Å; M536-C538 HydrophobicContact CE-CB 3.66Å; M536-C538 HydrophobicContact CG-CB 4.1Å; M536-C538 PolarHBondContact O-N 2.89Å; C538-G543 PolarHBondContact SG-O 3.38Å
539C94.8Very high96.3Very high40 Ų4056 Ų5627%0.2732%0.323SS..  trans-82.7116.4166.9-179.70000109.6I513 A541 T542 G543I513-C539 HydrophobicContact CD1-CB 4.29Å; C539-A541 PolarHBondContact O-N 3.42Å; C539-T542 PolarHBondContact O-N 2.87Å; C539-T542 VanDerWaalsContact O-N 3.17Å; C539-G543 WeakPolarHBondContact O-CA 3.33Å; C539-G543 PolarHBondContact O-N 3.21Å
540A96.3Very high96.4Very high12 Ų1253.7 Ų53.710%0.09931%0.307CS..THydrogen-bonded Turntrans-60.6-22.1-177.200000114.3I511 I544 V570I511-A540 HydrophobicContact CD1-CB 4.1Å; A540-I544 HydrophobicContact CB-CD1 4.43Å; A540-I544 WeakPolarHBondContact O-CD1 3.26Å; A540-V570 HydrophobicContact CB-CG1 3.99Å; A540-V570 HydrophobicContact CB-CG2 4.11Å
541A95.5Very high96.5Very high7 Ų755.9 Ų55.96%0.05832%0.316CS..THydrogen-bonded Turntrans-81.2-28.8179.900000113.7C539 Y566 K569 V570C539-A541 PolarHBondContact O-N 3.42Å; A541-Y566 HydrophobicContact CB-CD2 4.19Å; A541-K569 HydrophobicContact CB-CB 4.23Å; A541-V570 HydrophobicContact CB-CG2 3.84Å
542T93.6Very high96.6Very high105 Ų10550.2 Ų50.264%0.64428%0.279SS*.THydrogen-bonded Turntrans-141.2-16-16858.90000115.6C539C539-T542 PolarHBondContact O-N 2.87Å; C539-T542 VanDerWaalsContact O-N 3.17Å
543G93.7Very high96.6Very high38 Ų3851.1 Ų51.139%0.39228%0.284SS..  trans-108.67.3-170.700000114.8C538 C539C538-G543 PolarHBondContact SG-O 3.38Å; C539-G543 WeakPolarHBondContact O-CA 3.33Å; C539-G543 PolarHBondContact O-N 3.21Å
544I96.1Very high96.5Very high9 Ų951.1 Ų51.15%0.04628%0.284CS..SBendtrans-77.2125.7179-59.9-169000108.9I511 A540 W548 Q573 M574 R576 V577I511-I544 HydrophobicContact CD1-CD1 3.9Å; I511-I544 HydrophobicContact CD1-CG1 4.2Å; A540-I544 HydrophobicContact CB-CD1 4.43Å; A540-I544 WeakPolarHBondContact O-CD1 3.26Å; I544-W548 HydrophobicContact CG2-CB 4.22Å; I544-W548 HydrophobicContact CG2-CD2 4.32Å; I544-W548 HydrophobicContact CG2-CE3 3.73Å; I544-W548 HydrophobicContact CG2-CZ3 4.49Å; I544-Q573 HydrophobicContact CD1-CB 4.06Å; I544-M574 HydrophobicContact CD1-CE 3.23Å; I544-R576 PolarHBondContact O-NH2 2.95Å; I544-V577 HydrophobicContact CG2-CG1 3.75Å
545P96.5Very high96.5Very high39 Ų3945.8 Ų45.825%0.25326%0.259SS..  trans-54.8147.5-179.1-28.236.3000114.2M536 D547 W548 R576M536-P545 HydrophobicContact CE-CG 4.21Å; M536-P545 HydrophobicContact SD-CG 4.38Å; P545-D547 VanDerWaalsContact C-N 3.33Å; P545-D547 WeakPolarHBondContact CB-OD1 3.31Å; P545-D547 PolarHBondContact O-N 3.03Å; P545-W548 HydrophobicContact CB-CG 4.14Å; P545-W548 HydrophobicContact CG-CD2 4.32Å; P545-W548 HydrophobicContact CG-CG 4.41Å; P545-W548 WeakPolarHBondContact O-CB 3.38Å; P545-W548 PolarHBondContact O-N 3.05Å; P545-R576 PolarHBondContact O-NH1 3.18Å; P545-R576 PolarHBondContact O-NH2 2.66Å
546D95.6Very high96.4Very high138 Ų13845.1 Ų45.174%0.73826%0.257SS*.G310 helixtrans-68.2-34.1-179.6-70.1-28.6000112.1W548 T549 R576D546-W548 PolarHBondContact O-N 3.45Å; D546-W548 VanDerWaalsContact O-N 3.13Å; D546-T549 PolarHBondContact O-N 3.27Å; D546-T549 PolarHBondContact O-OG1 3.42Å; D546-R576 PolarHBondContact O-NH1 3.36Å; D546-R576 VanDerWaalsContact O-NH1 3.1Å
547D96.5Very high96.3Very high118 Ų11842.6 Ų42.663%0.63124%0.244SC*.G310 helixtrans-70.1-2.9177.274.1-40.8000113.8P545 T549P545-D547 VanDerWaalsContact C-N 3.33Å; P545-D547 WeakPolarHBondContact CB-OD1 3.31Å; P545-D547 PolarHBondContact O-N 3.03Å; D547-T549 VanDerWaalsContact C-N 3.3Å
548W97.6Very high96Very high16 Ų1639.3 Ų39.36%0.06123%0.226CC..G310 helixtrans-85.70.6173-74.325.6000113.8L486 Y509 I511 M536 I544 P545 D546 E550 K551 F552 V577L486-W548 HydrophobicContact CD1-CH2 4.38Å; L486-W548 HydrophobicContact CD1-CZ3 3.77Å; L486-W548 HydrophobicContact CD2-CZ3 4.35Å; Y509-W548 HydrophobicContact CD1-CH2 4.1Å; Y509-W548 AromaticContact CD1-CZ2 3.99Å; Y509-W548 HydrophobicContact CD1-CZ2 3.99Å; Y509-W548 HydrophobicContact CE1-CZ2 4.43Å; Y509-W548 HydrophobicContact CG-CH2 4.47Å; I511-W548 HydrophobicContact CG2-CH2 3.98Å; I511-W548 HydrophobicContact CG2-CZ3 4.02Å; M536-W548 HydrophobicContact CE-CH2 3.35Å; M536-W548 HydrophobicContact CE-CZ2 3.69Å; M536-W548 HydrophobicContact CE-CZ3 3.89Å; M536-W548 HydrophobicContact SD-CH2 4.35Å; M536-W548 HydrophobicContact SD-CZ2 4.21Å; I544-W548 HydrophobicContact CG2-CB 4.22Å; I544-W548 HydrophobicContact CG2-CD2 4.32Å; I544-W548 HydrophobicContact CG2-CE3 3.73Å; I544-W548 HydrophobicContact CG2-CZ3 4.49Å; P545-W548 HydrophobicContact CB-CG 4.14Å; P545-W548 HydrophobicContact CG-CD2 4.32Å; P545-W548 HydrophobicContact CG-CG 4.41Å; P545-W548 WeakPolarHBondContact O-CB 3.38Å; P545-W548 PolarHBondContact O-N 3.05Å; D546-W548 PolarHBondContact O-N 3.45Å; D546-W548 VanDerWaalsContact O-N 3.13Å; W548-E550 PolarHBondContact O-N 2.62Å; W548-K551 HydrophobicContact CB-CB 4.47Å; W548-K551 HydrophobicContact CB-CD 4.16Å; W548-K551 HydrophobicContact CD2-CD 4.35Å; W548-K551 HydrophobicContact CG-CD 3.8Å; W548-K551 VanDerWaalsContact NE1-NZ 3.15Å; W548-K551 WeakPolarHBondContact O-CB 3.21Å; W548-K551 PolarHBondContact O-N 2.72Å; W548-F552 HydrophobicContact CB-CE2 4.18Å; W548-F552 AromaticContact CD2-CE2 3.81Å; W548-F552 HydrophobicContact CD2-CE2 3.81Å; W548-F552 AromaticContact CD2-CZ 3.79Å; W548-F552 HydrophobicContact CD2-CZ 3.79Å; W548-F552 AromaticContact CE3-CE2 3.37Å; W548-F552 HydrophobicContact CE3-CE2 3.37Å; W548-F552 AromaticContact CE3-CZ 3.42Å; W548-F552 HydrophobicContact CE3-CZ 3.42Å; W548-F552 VanDerWaalsContact CE3-CZ 3.42Å; W548-F552 HydrophobicContact CG-CE2 4.19Å; W548-F552 HydrophobicContact CG-CZ 4.46Å; W548-F552 HydrophobicContact CH2-CZ 4.16Å; W548-F552 AromaticContact CZ3-CE2 3.98Å; W548-F552 HydrophobicContact CZ3-CE2 3.98Å; W548-F552 AromaticContact CZ3-CZ 3.62Å; W548-F552 HydrophobicContact CZ3-CZ 3.62Å; W548-V577 HydrophobicContact CB-CB 4.43Å; W548-V577 HydrophobicContact CB-CG1 3.87Å; W548-V577 VanDerWaalsContact O-CA 3.25Å; W548-V577 WeakPolarHBondContact O-CA 3.36Å; W548-V577 VanDerWaalsContact O-CB 3.23Å; W548-V577 WeakPolarHBondContact O-CB 3.31Å; W548-V577 WeakPolarHBondContact O-CG1 3.42Å
549T98.2Very high95.9Very high73 Ų7340 Ų4045%0.44823%0.229SC..THydrogen-bonded Turntrans-53.4125.4174.2-58.40000110.2D546 D547 K551 R576D546-T549 PolarHBondContact O-N 3.27Å; D546-T549 PolarHBondContact O-OG1 3.42Å; D547-T549 VanDerWaalsContact C-N 3.3Å; T549-K551 PolarHBondContact O-N 3.5Å; T549-R576 HydrophobicContact CG2-CG 4.18Å; T549-R576 PolarHBondContact OG1-NH1 3.05Å
550E98.1Very high95.9Very high92 Ų9238.8 Ų38.843%0.4322%0.22SC..THydrogen-bonded Turntrans51.837179.8-55.4-170.8155.700114.6W548 R576 V577 K579 K667W548-E550 PolarHBondContact O-N 2.62Å; E550-R576 PolarHBondContact N-O 3.15Å; E550-V577 CarbonylContact C-O 3.45Å; E550-V577 WeakPolarHBondContact CA-O 3.47Å; E550-V577 PolarHBondContact N-O 3.18Å; E550-K579 HydrophobicContact CB-CG 4.37Å; E550-K579 WeakPolarHBondContact O-CG 3.42Å; E550-K667 IonicContact OE1-NZ 2.95Å; E550-K667 PolarHBondContact OE1-NZ 3.07Å
551K97.9Very high95.9Very high55 Ų5538.2 Ų38.224%0.23922%0.216CC..  trans-89.4-33.8-178.4-177.7169.8-178.7169.10113.7W548 T549 V577 K579W548-K551 HydrophobicContact CB-CB 4.47Å; W548-K551 HydrophobicContact CB-CD 4.16Å; W548-K551 HydrophobicContact CD2-CD 4.35Å; W548-K551 HydrophobicContact CG-CD 3.8Å; W548-K551 VanDerWaalsContact NE1-NZ 3.15Å; W548-K551 WeakPolarHBondContact O-CB 3.21Å; W548-K551 PolarHBondContact O-N 2.72Å; T549-K551 PolarHBondContact O-N 3.5Å; K551-V577 PolarHBondContact N-O 3.19Å; K551-K579 VanDerWaalsContact O-CE 3.26Å; K551-K579 WeakPolarHBondContact O-CE 3.34Å
552F98Very high95.9Very high0 Ų038.2 Ų38.20%021%0.214CC..EExtended strand (participates in β ladder)trans-101.6137.5-169.1-58.6-80.8000112.1T484 L486 Y509 W548 I555 V577 L578 K579T484-F552 HydrophobicContact CG2-CD1 3.68Å; T484-F552 HydrophobicContact CG2-CE1 3.89Å; L486-F552 HydrophobicContact CB-CD1 3.54Å; L486-F552 HydrophobicContact CB-CD2 4.13Å; L486-F552 HydrophobicContact CB-CE1 3.64Å; L486-F552 HydrophobicContact CB-CE2 4.23Å; L486-F552 HydrophobicContact CB-CG 3.79Å; L486-F552 HydrophobicContact CB-CZ 4Å; L486-F552 HydrophobicContact CD1-CE1 4.4Å; L486-F552 HydrophobicContact CD1-CZ 4.2Å; L486-F552 HydrophobicContact CD2-CD2 4.16Å; L486-F552 HydrophobicContact CD2-CE2 3.96Å; L486-F552 HydrophobicContact CD2-CZ 4.26Å; L486-F552 HydrophobicContact CG-CE1 4.47Å; L486-F552 HydrophobicContact CG-CZ 4.39Å; Y509-F552 AromaticContact CD2-CE1 3.58Å; Y509-F552 HydrophobicContact CD2-CE1 3.58Å; Y509-F552 HydrophobicContact CD2-CZ 4.32Å; Y509-F552 HydrophobicContact CE2-CE1 4.3Å; Y509-F552 AromaticContact CG-CE1 3.91Å; Y509-F552 HydrophobicContact CG-CE1 3.91Å; Y509-F552 HydrophobicContact CG-CZ 4.31Å; W548-F552 HydrophobicContact CB-CE2 4.18Å; W548-F552 AromaticContact CD2-CE2 3.81Å; W548-F552 HydrophobicContact CD2-CE2 3.81Å; W548-F552 AromaticContact CD2-CZ 3.79Å; W548-F552 HydrophobicContact CD2-CZ 3.79Å; W548-F552 AromaticContact CE3-CE2 3.37Å; W548-F552 HydrophobicContact CE3-CE2 3.37Å; W548-F552 AromaticContact CE3-CZ 3.42Å; W548-F552 HydrophobicContact CE3-CZ 3.42Å; W548-F552 VanDerWaalsContact CE3-CZ 3.42Å; W548-F552 HydrophobicContact CG-CE2 4.19Å; W548-F552 HydrophobicContact CG-CZ 4.46Å; W548-F552 HydrophobicContact CH2-CZ 4.16Å; W548-F552 AromaticContact CZ3-CE2 3.98Å; W548-F552 HydrophobicContact CZ3-CE2 3.98Å; W548-F552 AromaticContact CZ3-CZ 3.62Å; W548-F552 HydrophobicContact CZ3-CZ 3.62Å; F552-I555 HydrophobicContact CB-CG1 4.15Å; F552-V577 HydrophobicContact CD2-CB 3.84Å; F552-V577 HydrophobicContact CD2-CG2 3.85Å; F552-V577 HydrophobicContact CE2-CB 4.13Å; F552-V577 HydrophobicContact CE2-CG2 4.27Å; F552-V577 PolarHBondContact N-O 2.64Å; F552-L578 WeakPolarHBondContact O-CD1 3.27Å; F552-K579 WeakPolarHBondContact O-CG 3.27Å; F552-K579 PolarHBondContact O-N 3.15Å
553D96.9Very high95.9Very high47 Ų4734.3 Ų34.325%0.25119%0.19SC..EExtended strand (participates in β ladder)trans-85.2-30.7173.1-54.7-77.2000111I483 T484 K579 G582 L583I483-D553 HydrophobicContact CB-CB 3.88Å; I483-D553 HydrophobicContact CG2-CB 4.16Å; T484-D553 PolarHBondContact N-OD2 2.81Å; T484-D553 PolarHBondContact O-N 2.93Å; D553-K579 VanDerWaalsContact CG-NZ 3.26Å; D553-K579 VanDerWaalsContact OD1-CD 3.23Å; D553-K579 WeakPolarHBondContact OD1-CD 3.33Å; D553-K579 WeakPolarHBondContact OD1-CE 3.35Å; D553-K579 IonicContact OD1-NZ 3.45Å; D553-K579 PolarHBondContact OD1-NZ 3.05Å; D553-K579 IonicContact OD2-NZ 3.87Å; D553-K579 PolarHBondContact OD2-NZ 3.14Å; D553-K579 VanDerWaalsContact OD2-NZ 3.12Å; D553-G582 VanDerWaalsContact O-CA 3.29Å; D553-G582 WeakPolarHBondContact O-CA 3.35Å; D553-L583 PolarHBondContact O-N 2.76Å
554F96.5Very high96Very high2 Ų234.4 Ų34.41%0.00918%0.18CC..EExtended strand (participates in β ladder)trans-140.8136.8-177.9-157.6-88.4000110.7L474 I483 T484 V485 L486 T556 L583L474-F554 HydrophobicContact CD2-CD1 3.77Å; L474-F554 HydrophobicContact CD2-CE1 3.98Å; L474-F554 HydrophobicContact CD2-CG 4.1Å; L474-F554 HydrophobicContact CD2-CZ 4.49Å; I483-F554 HydrophobicContact CD1-CB 4.01Å; T484-F554 PolarHBondContact O-N 3.46Å; V485-F554 VanDerWaalsContact CA-O 3.26Å; V485-F554 WeakPolarHBondContact CA-O 3.2Å; V485-F554 HydrophobicContact CG1-CB 4.41Å; V485-F554 HydrophobicContact CG1-CD1 4.3Å; V485-F554 HydrophobicContact CG2-CB 4.28Å; L486-F554 PolarHBondContact N-O 3.5Å; F554-T556 HydrophobicContact CD1-CG2 3.92Å; F554-T556 HydrophobicContact CE1-CG2 3.59Å; F554-L583 CarbonylContact C-O 3.58Å; F554-L583 VanDerWaalsContact CA-O 3.29Å; F554-L583 WeakPolarHBondContact CA-O 3.48Å; F554-L583 HydrophobicContact CD2-CB 3.59Å; F554-L583 HydrophobicContact CD2-CD1 4.09Å; F554-L583 HydrophobicContact CD2-CG 4.43Å; F554-L583 HydrophobicContact CE2-CB 3.68Å; F554-L583 HydrophobicContact CE2-CD1 3.9Å; F554-L583 HydrophobicContact CE2-CG 4.47Å
555I97.1Very high95.9Very high0 Ų034.5 Ų34.50%018%0.182CC..EExtended strand (participates in β ladder)trans-121.4139.8172.8-60.1170.9000108.5L486 I488 F552 M574 V577 L578 L583 F584 S585L486-I555 HydrophobicContact CB-CG1 4.19Å; L486-I555 CarbonylContact O-C 3.53Å; L486-I555 VanDerWaalsContact O-CA 3.25Å; L486-I555 WeakPolarHBondContact O-CA 3.49Å; I488-I555 HydrophobicContact CG2-CG2 4.34Å; F552-I555 HydrophobicContact CB-CG1 4.15Å; I555-M574 HydrophobicContact CD1-CB 4.19Å; I555-M574 WeakPolarHBondContact CD1-O 3.45Å; I555-M574 HydrophobicContact CD1-SD 4.07Å; I555-M574 HydrophobicContact CG2-SD 3.73Å; I555-V577 HydrophobicContact CD1-CG2 3.82Å; I555-L578 HydrophobicContact CD1-CB 3.82Å; I555-L578 HydrophobicContact CD1-CD1 3.72Å; I555-L578 HydrophobicContact CD1-CG 4.25Å; I555-L578 HydrophobicContact CG1-CD1 3.71Å; I555-L583 PolarHBondContact N-O 2.82Å; I555-F584 HydrophobicContact CB-CD2 3.63Å; I555-F584 HydrophobicContact CB-CE2 4.13Å; I555-F584 HydrophobicContact CB-CG 4.29Å; I555-F584 HydrophobicContact CG2-CD2 3.53Å; I555-F584 HydrophobicContact CG2-CE2 3.48Å; I555-F584 VanDerWaalsContact CG2-CE2 3.48Å; I555-F584 HydrophobicContact CG2-CG 4.45Å; I555-F584 HydrophobicContact CG2-CZ 4.36Å; I555-F584 WeakPolarHBondContact O-CD2 3.42Å; I555-S585 PolarHBondContact O-N 2.54Å
556T95.7Very high96Very high1 Ų135.9 Ų35.91%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-115.5143.2170.352.90000111.4L486 D487 I488 M499 F554 F558 S585L486-T556 PolarHBondContact O-N 2.84Å; D487-T556 WeakPolarHBondContact CA-OG1 3.34Å; D487-T556 WeakPolarHBondContact CB-OG1 3.37Å; D487-T556 PolarHBondContact OD1-OG1 2.99Å; I488-T556 VanDerWaalsContact CG1-O 3.27Å; I488-T556 WeakPolarHBondContact CG1-O 2.99Å; I488-T556 PolarHBondContact N-O 2.93Å; M499-T556 HydrophobicContact CE-CG2 4.27Å; M499-T556 HydrophobicContact SD-CG2 4.34Å; F554-T556 HydrophobicContact CD1-CG2 3.92Å; F554-T556 HydrophobicContact CE1-CG2 3.59Å; T556-F558 VanDerWaalsContact CB-CE2 3.45Å; T556-F558 HydrophobicContact CG2-CE2 3.98Å; T556-F558 HydrophobicContact CG2-CZ 3.71Å; T556-S585 CarbonylContact C-O 3.52Å; T556-S585 WeakPolarHBondContact CA-O 3.28Å
557A95Very high96.1Very high0 Ų029.3 Ų29.30%015%0.148CC..EExtended strand (participates in β ladder)trans-137.7113.8172.200000108.3I488 V560 I561 F584 S585 I586 V587I488-A557 HydrophobicContact CD1-CB 3.88Å; I488-A557 HydrophobicContact CG1-CB 3.7Å; A557-V560 HydrophobicContact CB-CG1 3.47Å; A557-V560 VanDerWaalsContact CB-CG1 3.47Å; A557-I561 HydrophobicContact CB-CD1 4.36Å; A557-I561 HydrophobicContact CB-CG1 4.29Å; A557-F584 HydrophobicContact CB-CE2 3.62Å; A557-F584 HydrophobicContact CB-CZ 3.92Å; A557-S585 PolarHBondContact N-O 2.95Å; A557-I586 HydrophobicContact CB-CB 4.43Å; A557-I586 HydrophobicContact CB-CG1 4.25Å; A557-I586 HydrophobicContact CB-CG2 4.1Å; A557-I586 CarbonylContact O-C 3.43Å; A557-I586 WeakPolarHBondContact O-CA 3.36Å; A557-V587 PolarHBondContact O-N 3.24Å
558F92.4Very high96.1Very high22 Ų2226.3 Ų26.310%0.09614%0.139CC..EExtended strand (participates in β ladder)trans-113.2106.6-179.2-56.6-70.1000110Y470 L473 D487 P495 M499 T556 V560 V587Y470-F558 AromaticContact CD1-CD1 3.78Å; Y470-F558 HydrophobicContact CD1-CD1 3.78Å; Y470-F558 AromaticContact CD1-CE1 3.54Å; Y470-F558 HydrophobicContact CD1-CE1 3.54Å; Y470-F558 HydrophobicContact CD1-CE2 4.49Å; Y470-F558 HydrophobicContact CD1-CG 4.4Å; Y470-F558 AromaticContact CD1-CZ 3.91Å; Y470-F558 HydrophobicContact CD1-CZ 3.91Å; Y470-F558 AromaticContact CE1-CD1 3.69Å; Y470-F558 HydrophobicContact CE1-CD1 3.69Å; Y470-F558 AromaticContact CE1-CE1 3.97Å; Y470-F558 HydrophobicContact CE1-CE1 3.97Å; Y470-F558 HydrophobicContact CE1-CG 4.14Å; Y470-F558 HydrophobicContact CG-CZ 4.47Å; L473-F558 HydrophobicContact CD1-CE1 3.6Å; L473-F558 HydrophobicContact CD1-CZ 4.36Å; D487-F558 WeakPolarHBondContact OD1-CD2 3.47Å; P495-F558 HydrophobicContact CB-CD2 3.74Å; P495-F558 HydrophobicContact CB-CE2 3.47Å; P495-F558 VanDerWaalsContact CB-CE2 3.47Å; P495-F558 HydrophobicContact CB-CZ 4.27Å; P495-F558 HydrophobicContact CG-CD2 3.79Å; P495-F558 HydrophobicContact CG-CE2 4.07Å; P495-F558 HydrophobicContact CG-CG 4.45Å; M499-F558 HydrophobicContact CE-CE2 4.14Å; M499-F558 HydrophobicContact CE-CZ 4.49Å; T556-F558 VanDerWaalsContact CB-CE2 3.45Å; T556-F558 HydrophobicContact CG2-CE2 3.98Å; T556-F558 HydrophobicContact CG2-CZ 3.71Å; F558-V560 VanDerWaalsContact C-N 3.33Å; F558-V560 PolarHBondContact O-N 3.18Å; F558-V587 HydrophobicContact CD1-CB 3.88Å; F558-V587 HydrophobicContact CD1-CG2 3.76Å; F558-V587 HydrophobicContact CE1-CG2 3.93Å
559D92.3Very high96.1Very high26 Ų2630.8 Ų30.814%0.13916%0.159CC..SBendtrans49.248.6179.8-75-45.9000113.7M461 V587 D588 N660M461-D559 HydrophobicContact CE-CB 4.37Å; D559-V587 PolarHBondContact N-O 2.97Å; D559-D588 WeakPolarHBondContact OD1-CA 3.33Å; D559-N660 VanDerWaalsContact CG-ND2 3.35Å; D559-N660 PolarHBondContact OD1-ND2 3.49Å; D559-N660 PolarHBondContact OD2-ND2 2.79Å; D559-N660 VanDerWaalsContact OD2-ND2 3.08Å
560V93.7Very high96.1Very high14 Ų1427.3 Ų27.39%0.08514%0.138CC..  trans-122.8-29.7-172.361.10000113.9I488 A557 F558 Q564I488-V560 HydrophobicContact CD1-CG1 4.17Å; I488-V560 HydrophobicContact CG1-CG1 4.18Å; A557-V560 HydrophobicContact CB-CG1 3.47Å; A557-V560 VanDerWaalsContact CB-CG1 3.47Å; F558-V560 VanDerWaalsContact C-N 3.33Å; F558-V560 PolarHBondContact O-N 3.18Å; V560-Q564 WeakPolarHBondContact O-CG 3.39Å; V560-Q564 PolarHBondContact O-NE2 3.43Å
561I96.8Very high96.1Very high0 Ų023 Ų230%012%0.117CC..SBendtrans-73-43.2-167.9-61.9-61000111.3I488 A557 D563 Q564 P567 V570 L571 F584 I586 W632I488-I561 HydrophobicContact CD1-CD1 3.92Å; A557-I561 HydrophobicContact CB-CD1 4.36Å; A557-I561 HydrophobicContact CB-CG1 4.29Å; I561-D563 PolarHBondContact O-N 2.92Å; I561-Q564 WeakPolarHBondContact O-CB 3.47Å; I561-Q564 PolarHBondContact O-N 3.31Å; I561-P567 HydrophobicContact CG2-CB 4.36Å; I561-V570 HydrophobicContact CD1-CG1 4.29Å; I561-L571 HydrophobicContact CD1-CD2 4.2Å; I561-F584 HydrophobicContact CD1-CZ 4.43Å; I561-I586 HydrophobicContact CG1-CG2 3.98Å; I561-W632 HydrophobicContact CB-CH2 4.42Å; I561-W632 HydrophobicContact CB-CZ2 4.46Å; I561-W632 HydrophobicContact CG2-CH2 3.68Å; I561-W632 HydrophobicContact CG2-CZ2 4.17Å; I561-W632 HydrophobicContact CG2-CZ3 4.28Å
562H96.5Very high96.2Very high7 Ų727 Ų273%0.03214%0.135CC..THydrogen-bonded Turntrans-66.9-20.4-176.767.3-100.2000114.3D588 C615 G629 W632H562-D588 IonicContact CE1-OD1 2.74Å; H562-D588 IonicContact CG-OD1 3.16Å; H562-D588 IonicContact CG-OD2 3.81Å; H562-D588 VanDerWaalsContact ND1-CG 3.3Å; H562-D588 IonicContact ND1-OD1 2.81Å; H562-D588 PolarHBondContact ND1-OD1 2.92Å; H562-D588 IonicContact ND1-OD2 3.13Å; H562-D588 PolarHBondContact ND1-OD2 2.95Å; H562-D588 VanDerWaalsContact ND1-OD2 3.13Å; H562-C615 PolarHBondContact NE2-SG 2.77Å; H562-C615 VanDerWaalsContact NE2-SG 3.44Å; H562-G629 WeakPolarHBondContact CB-O 3.41Å; H562-G629 PolarHBondContact O-N 2.88Å; H562-W632 HydrophobicContact CB-CD2 4.27Å; H562-W632 HydrophobicContact CB-CG 4.01Å
563D93.6Very high96.2Very high23 Ų2329.2 Ų29.212%0.12315%0.145CC..THydrogen-bonded Turntrans-88-14.1178.6-76.8-7000113.7I561 A565 H614 C615 V618 S619I561-D563 PolarHBondContact O-N 2.92Å; D563-A565 PolarHBondContact O-N 3.07Å; D563-H614 IonicContact OD2-CE1 3.35Å; D563-H614 IonicContact OD2-ND1 3.3Å; D563-C615 WeakPolarHBondContact OD1-CA 3.4Å; D563-C615 WeakPolarHBondContact OD1-CB 3.19Å; D563-C615 PolarHBondContact OD1-SG 3.2Å; D563-V618 HydrophobicContact CB-CG2 4.3Å; D563-S619 WeakPolarHBondContact O-CB 3.18Å
564Q95.7Very high96.2Very high40 Ų4027 Ų2719%0.18713%0.133CC..  trans-62.4141.4-176.4-63.1-57.3-5500111V560 I561 Y566 P567 V570 S619V560-Q564 WeakPolarHBondContact O-CG 3.39Å; V560-Q564 PolarHBondContact O-NE2 3.43Å; I561-Q564 WeakPolarHBondContact O-CB 3.47Å; I561-Q564 PolarHBondContact O-N 3.31Å; Q564-Y566 VanDerWaalsContact C-N 3.31Å; Q564-P567 HydrophobicContact CB-CB 4.08Å; Q564-P567 WeakPolarHBondContact O-CD 3.44Å; Q564-V570 HydrophobicContact CB-CG2 4.35Å; Q564-V570 HydrophobicContact CG-CB 4.48Å; Q564-V570 HydrophobicContact CG-CG2 3.95Å; Q564-S619 PolarHBondContact O-OG 3.23Å
565A94.3Very high96.3Very high11 Ų1129.7 Ų29.79%0.09115%0.145CC..SBendtrans-63.1-42.4166.500000110.9D563 P567 S619 F622 G625 T626D563-A565 PolarHBondContact O-N 3.07Å; A565-P567 VanDerWaalsContact C-CD 3.42Å; A565-P567 WeakPolarHBondContact O-CD 3.28Å; A565-S619 WeakPolarHBondContact CA-OG 3.39Å; A565-F622 HydrophobicContact CB-CB 3.66Å; A565-F622 HydrophobicContact CB-CD2 3.78Å; A565-F622 HydrophobicContact CB-CG 3.92Å; A565-G625 CarbonylContact O-C 3.48Å; A565-G625 WeakPolarHBondContact O-CA 3.25Å; A565-T626 PolarHBondContact O-N 3.42Å; A565-T626 PolarHBondContact O-OG1 2.88Å
566Y96.9Very high96.4Very high68 Ų6832.1 Ų32.127%0.26715%0.154SC..SBendtrans-12663.1-175.5-43-68.8000111.8A541 Q564 A568 K569 V570 E623A541-Y566 HydrophobicContact CB-CD2 4.19Å; Q564-Y566 VanDerWaalsContact C-N 3.31Å; Y566-A568 VanDerWaalsContact C-N 3.26Å; Y566-A568 PolarHBondContact O-N 2.95Å; Y566-K569 HydrophobicContact CG-CD 4.2Å; Y566-K569 WeakPolarHBondContact O-CB 3.43Å; Y566-K569 PolarHBondContact O-N 3.36Å; Y566-V570 PolarHBondContact O-N 2.86Å; Y566-E623 WeakPolarHBondContact CE1-O 3.47Å; Y566-E623 PolarHBondContact OH-O 3.44Å
567P97.7Very high96.5Very high1 Ų132.1 Ų32.11%0.00615%0.154CC..Hα-helixtrans-54.4-40.8-175.521.7-33.8000112.3I561 Q564 A565 K569 V570 L571 T626 L628 M640I561-P567 HydrophobicContact CG2-CB 4.36Å; Q564-P567 HydrophobicContact CB-CB 4.08Å; Q564-P567 WeakPolarHBondContact O-CD 3.44Å; A565-P567 VanDerWaalsContact C-CD 3.42Å; A565-P567 WeakPolarHBondContact O-CD 3.28Å; P567-K569 VanDerWaalsContact C-N 3.32Å; P567-K569 PolarHBondContact O-N 3.14Å; P567-V570 PolarHBondContact O-N 3.12Å; P567-L571 VanDerWaalsContact O-CG 3.32Å; P567-L571 WeakPolarHBondContact O-CG 3.2Å; P567-L571 PolarHBondContact O-N 3.07Å; P567-T626 HydrophobicContact CG-CG2 4.38Å; P567-L628 HydrophobicContact CB-CD1 3.81Å; P567-L628 HydrophobicContact CG-CD1 3.49Å; P567-L628 VanDerWaalsContact CG-CD1 3.49Å; P567-L628 HydrophobicContact CG-CG 4.09Å; P567-M640 HydrophobicContact CB-CE 3.69Å; P567-M640 HydrophobicContact CG-CE 3.74Å
568A97.7Very high96.7Very high54 Ų5432.1 Ų32.145%0.44615%0.154SC..Hα-helixtrans-61.6-35.6175.900000113.5Y566 K572 M640Y566-A568 VanDerWaalsContact C-N 3.26Å; Y566-A568 PolarHBondContact O-N 2.95Å; A568-K572 WeakPolarHBondContact O-CG 3.2Å; A568-K572 PolarHBondContact O-N 3.38Å; A568-K572 VanDerWaalsContact O-N 3.12Å; A568-M640 HydrophobicContact CB-CE 4.37Å
569K97.7Very high97Very high111 Ų11134.1 Ų34.148%0.48316%0.163SC..Hα-helixtrans-70.4-41.7175-67.8-174.9-178.2174.30111A541 Y566 P567 K572 Q573A541-K569 HydrophobicContact CB-CB 4.23Å; Y566-K569 HydrophobicContact CG-CD 4.2Å; Y566-K569 WeakPolarHBondContact O-CB 3.43Å; Y566-K569 PolarHBondContact O-N 3.36Å; P567-K569 VanDerWaalsContact C-N 3.32Å; P567-K569 PolarHBondContact O-N 3.14Å; K569-K572 PolarHBondContact O-N 3.12Å; K569-Q573 WeakPolarHBondContact O-CG 3.31Å; K569-Q573 PolarHBondContact O-N 2.81Å
570V98.3Very high97.2Very high0 Ų035.5 Ų35.50%017%0.173CC..Hα-helixtrans-59.3-49.3175.5174.90000110.4I488 A540 A541 I561 Q564 Y566 P567 K572 Q573 M574I488-V570 HydrophobicContact CD1-CG1 4.06Å; A540-V570 HydrophobicContact CB-CG1 3.99Å; A540-V570 HydrophobicContact CB-CG2 4.11Å; A541-V570 HydrophobicContact CB-CG2 3.84Å; I561-V570 HydrophobicContact CD1-CG1 4.29Å; Q564-V570 HydrophobicContact CB-CG2 4.35Å; Q564-V570 HydrophobicContact CG-CB 4.48Å; Q564-V570 HydrophobicContact CG-CG2 3.95Å; Y566-V570 PolarHBondContact O-N 2.86Å; P567-V570 PolarHBondContact O-N 3.12Å; V570-K572 VanDerWaalsContact C-N 3.33Å; V570-K572 PolarHBondContact O-N 2.94Å; V570-Q573 WeakPolarHBondContact O-CB 3.15Å; V570-Q573 PolarHBondContact O-N 3.28Å; V570-Q573 VanDerWaalsContact O-N 3.07Å; V570-M574 HydrophobicContact CG1-CG 4.4Å; V570-M574 WeakPolarHBondContact O-CG 3.25Å; V570-M574 PolarHBondContact O-N 3.07Å
571L98.6Very high97.4Very high1 Ų136.4 Ų36.41%0.00519%0.185CC..Hα-helixtrans-60.4-40.3178.6-66.8173.1000112.4I561 P567 Q573 M574 F575 F584 M640 F641 A644I561-L571 HydrophobicContact CD1-CD2 4.2Å; P567-L571 VanDerWaalsContact O-CG 3.32Å; P567-L571 WeakPolarHBondContact O-CG 3.2Å; P567-L571 PolarHBondContact O-N 3.07Å; L571-Q573 PolarHBondContact O-N 3.34Å; L571-M574 PolarHBondContact O-N 2.91Å; L571-F575 PolarHBondContact O-N 3.44Å; L571-F584 HydrophobicContact CD2-CE1 3.89Å; L571-M640 HydrophobicContact CD1-CB 3.85Å; L571-M640 HydrophobicContact CD1-CE 4.19Å; L571-F641 HydrophobicContact CD1-CD1 3.91Å; L571-F641 HydrophobicContact CD1-CE1 4.25Å; L571-F641 HydrophobicContact CD2-CD1 3.77Å; L571-F641 HydrophobicContact CD2-CE1 3.82Å; L571-A644 HydrophobicContact CB-CB 3.61Å; L571-A644 HydrophobicContact CD1-CB 4.49Å
572K98.1Very high97.4Very high138 Ų13836.8 Ų36.860%0.619%0.189SC*.Hα-helixtrans-62.8-39.3173.2-75.8179.2178.6-1750112.7A568 K569 V570 F575 R576A568-K572 WeakPolarHBondContact O-CG 3.2Å; A568-K572 PolarHBondContact O-N 3.38Å; A568-K572 VanDerWaalsContact O-N 3.12Å; K569-K572 PolarHBondContact O-N 3.12Å; V570-K572 VanDerWaalsContact C-N 3.33Å; V570-K572 PolarHBondContact O-N 2.94Å; K572-F575 PolarHBondContact O-N 3.19Å; K572-R576 PolarHBondContact O-N 2.62Å
573Q98.3Very high97.3Very high47 Ų4737 Ų3722%0.2219%0.191CC..Hα-helixtrans-65.8-41.9174.1-71.8-66.3-26.900111.5I544 K569 V570 L571 F575 R576 V577I544-Q573 HydrophobicContact CD1-CB 4.06Å; K569-Q573 WeakPolarHBondContact O-CG 3.31Å; K569-Q573 PolarHBondContact O-N 2.81Å; V570-Q573 WeakPolarHBondContact O-CB 3.15Å; V570-Q573 PolarHBondContact O-N 3.28Å; V570-Q573 VanDerWaalsContact O-N 3.07Å; L571-Q573 PolarHBondContact O-N 3.34Å; Q573-F575 VanDerWaalsContact C-N 3.32Å; Q573-F575 PolarHBondContact O-N 3.25Å; Q573-R576 WeakPolarHBondContact O-CB 3.5Å; Q573-R576 PolarHBondContact O-N 2.87Å; Q573-R576 VanDerWaalsContact OE1-CZ 3.27Å; Q573-V577 WeakPolarHBondContact O-CG2 3.49Å; Q573-V577 PolarHBondContact O-N 3.34Å
574M98.3Very high97.5Very high0 Ų036 Ų360%019%0.185CC..Hα-helixtrans-60.2-43.5175.1-64.5-5395.900111.4L486 I488 I544 I555 V570 L571 R576 V577 L578 F584 F646L486-M574 HydrophobicContact CD2-CE 4.27Å; L486-M574 HydrophobicContact CD2-SD 4.23Å; I488-M574 HydrophobicContact CB-SD 4.41Å; I488-M574 HydrophobicContact CD1-CG 4.1Å; I488-M574 HydrophobicContact CD1-SD 3.87Å; I488-M574 HydrophobicContact CG1-SD 4.31Å; I488-M574 HydrophobicContact CG2-CE 3.86Å; I488-M574 HydrophobicContact CG2-SD 3.4Å; I488-M574 WeakPolarHBondContact CG2-SD 3.19Å; I544-M574 HydrophobicContact CD1-CE 3.23Å; I555-M574 HydrophobicContact CD1-CB 4.19Å; I555-M574 WeakPolarHBondContact CD1-O 3.45Å; I555-M574 HydrophobicContact CD1-SD 4.07Å; I555-M574 HydrophobicContact CG2-SD 3.73Å; V570-M574 HydrophobicContact CG1-CG 4.4Å; V570-M574 WeakPolarHBondContact O-CG 3.25Å; V570-M574 PolarHBondContact O-N 3.07Å; L571-M574 PolarHBondContact O-N 2.91Å; M574-R576 VanDerWaalsContact C-N 3.32Å; M574-R576 PolarHBondContact O-N 3.07Å; M574-V577 HydrophobicContact CE-CG2 4.32Å; M574-V577 PolarHBondContact O-N 3.48Å; M574-L578 VanDerWaalsContact O-CB 3.27Å; M574-L578 WeakPolarHBondContact O-CB 3.31Å; M574-L578 PolarHBondContact O-N 2.61Å; M574-F584 HydrophobicContact CB-CD1 4.36Å; M574-F584 HydrophobicContact CB-CE1 3.96Å; M574-F584 HydrophobicContact CB-CZ 4.3Å; M574-F584 HydrophobicContact CG-CE1 4.03Å; M574-F584 HydrophobicContact CG-CZ 3.91Å; M574-F646 HydrophobicContact CB-CZ 4.04Å
575F98.6Very high97.5Very high59 Ų5934 Ų3426%0.25918%0.176SC..Hα-helixtrans-62-39.7175.7-172.2-89.7000112.2L571 K572 Q573 A644 G645 F646 K667L571-F575 PolarHBondContact O-N 3.44Å; K572-F575 PolarHBondContact O-N 3.19Å; Q573-F575 VanDerWaalsContact C-N 3.32Å; Q573-F575 PolarHBondContact O-N 3.25Å; F575-A644 WeakPolarHBondContact CD2-O 3.41Å; F575-A644 WeakPolarHBondContact CG-O 3.33Å; F575-G645 VanDerWaalsContact CE2-O 3.26Å; F575-G645 WeakPolarHBondContact CE2-O 3.32Å; F575-F646 HydrophobicContact CB-CE1 4.33Å; F575-F646 HydrophobicContact CB-CE2 4.03Å; F575-F646 HydrophobicContact CB-CZ 3.76Å; F575-F646 HydrophobicContact CD2-CD1 4.05Å; F575-F646 HydrophobicContact CD2-CD2 4.46Å; F575-F646 AromaticContact CD2-CE1 3.95Å; F575-F646 HydrophobicContact CD2-CE1 3.95Å; F575-F646 HydrophobicContact CD2-CE2 4.36Å; F575-F646 HydrophobicContact CD2-CG 4.31Å; F575-F646 HydrophobicContact CD2-CZ 4.12Å; F575-F646 HydrophobicContact CG-CZ 4.46Å; F575-K667 HydrophobicContact CD2-CB 4.5Å; F575-K667 HydrophobicContact CD2-CD 4.4Å; F575-K667 HydrophobicContact CD2-CG 4.26Å; F575-K667 HydrophobicContact CE1-CD 4.32Å; F575-K667 HydrophobicContact CE2-CB 4.19Å; F575-K667 HydrophobicContact CE2-CD 4.16Å; F575-K667 HydrophobicContact CE2-CG 3.69Å; F575-K667 HydrophobicContact CZ-CD 4.12Å; F575-K667 HydrophobicContact CZ-CG 3.86Å; F575-K667 WeakPolarHBondContact O-CD 3.4Å; F575-K667 PolarHBondContact O-NZ 3.43Å
576R98.3Very high97.5Very high52 Ų5233.6 Ų33.620%0.19617%0.172CC..Hα-helixtrans-64.1-46.4177.1-177.3-175.267.188.6-8.6112.3I544 P545 D546 T549 E550 K572 Q573 M574I544-R576 PolarHBondContact O-NH2 2.95Å; P545-R576 PolarHBondContact O-NH1 3.18Å; P545-R576 PolarHBondContact O-NH2 2.66Å; D546-R576 PolarHBondContact O-NH1 3.36Å; D546-R576 VanDerWaalsContact O-NH1 3.1Å; T549-R576 HydrophobicContact CG2-CG 4.18Å; T549-R576 PolarHBondContact OG1-NH1 3.05Å; E550-R576 PolarHBondContact N-O 3.15Å; K572-R576 PolarHBondContact O-N 2.62Å; Q573-R576 WeakPolarHBondContact O-CB 3.5Å; Q573-R576 PolarHBondContact O-N 2.87Å; Q573-R576 VanDerWaalsContact OE1-CZ 3.27Å; M574-R576 VanDerWaalsContact C-N 3.32Å; M574-R576 PolarHBondContact O-N 3.07Å
577V98.5Very high97.4Very high0 Ų030.5 Ų30.50%016%0.16CC..Hα-helixtrans-82.7-17.5-173.8-56.80000114L486 I544 W548 E550 K551 F552 I555 Q573 M574L486-V577 HydrophobicContact CD2-CG2 4.12Å; I544-V577 HydrophobicContact CG2-CG1 3.75Å; W548-V577 HydrophobicContact CB-CB 4.43Å; W548-V577 HydrophobicContact CB-CG1 3.87Å; W548-V577 VanDerWaalsContact O-CA 3.25Å; W548-V577 WeakPolarHBondContact O-CA 3.36Å; W548-V577 VanDerWaalsContact O-CB 3.23Å; W548-V577 WeakPolarHBondContact O-CB 3.31Å; W548-V577 WeakPolarHBondContact O-CG1 3.42Å; E550-V577 CarbonylContact C-O 3.45Å; E550-V577 WeakPolarHBondContact CA-O 3.47Å; E550-V577 PolarHBondContact N-O 3.18Å; K551-V577 PolarHBondContact N-O 3.19Å; F552-V577 HydrophobicContact CD2-CB 3.84Å; F552-V577 HydrophobicContact CD2-CG2 3.85Å; F552-V577 HydrophobicContact CE2-CB 4.13Å; F552-V577 HydrophobicContact CE2-CG2 4.27Å; F552-V577 PolarHBondContact N-O 2.64Å; I555-V577 HydrophobicContact CD1-CG2 3.82Å; Q573-V577 WeakPolarHBondContact O-CG2 3.49Å; Q573-V577 PolarHBondContact O-N 3.34Å; M574-V577 HydrophobicContact CE-CG2 4.32Å; M574-V577 PolarHBondContact O-N 3.48Å
578L98.4Very high97.2Very high0 Ų030.4 Ų30.40%016%0.16CC..EExtended strand (participates in β ladder)trans-75.4137.3173.6-16366.2000110.5F552 I555 M574 G582 L583 F584 F646 K667F552-L578 WeakPolarHBondContact O-CD1 3.27Å; I555-L578 HydrophobicContact CD1-CB 3.82Å; I555-L578 HydrophobicContact CD1-CD1 3.72Å; I555-L578 HydrophobicContact CD1-CG 4.25Å; I555-L578 HydrophobicContact CG1-CD1 3.71Å; M574-L578 VanDerWaalsContact O-CB 3.27Å; M574-L578 WeakPolarHBondContact O-CB 3.31Å; M574-L578 PolarHBondContact O-N 2.61Å; L578-G582 WeakPolarHBondContact CD2-O 3.42Å; L578-L583 WeakPolarHBondContact CD1-O 3.39Å; L578-F584 HydrophobicContact CD2-CB 4.24Å; L578-F646 HydrophobicContact CD2-CE1 3.87Å; L578-K667 HydrophobicContact CB-CD 4.36Å; L578-K667 HydrophobicContact CD2-CB 3.86Å; L578-K667 HydrophobicContact CG-CB 4.34Å; L578-K667 VanDerWaalsContact O-CD 3.25Å; L578-K667 WeakPolarHBondContact O-CD 3.37Å; L578-K667 PolarHBondContact O-NZ 2.71Å
579K98.1Very high97Very high65 Ų6528.6 Ų28.628%0.28314%0.142SC..EExtended strand (participates in β ladder)trans-64.8152.3171.7-72.3172.3-171.4172.10111.3E550 K551 F552 D553 G581 G582E550-K579 HydrophobicContact CB-CG 4.37Å; E550-K579 WeakPolarHBondContact O-CG 3.42Å; K551-K579 VanDerWaalsContact O-CE 3.26Å; K551-K579 WeakPolarHBondContact O-CE 3.34Å; F552-K579 WeakPolarHBondContact O-CG 3.27Å; F552-K579 PolarHBondContact O-N 3.15Å; D553-K579 VanDerWaalsContact CG-NZ 3.26Å; D553-K579 VanDerWaalsContact OD1-CD 3.23Å; D553-K579 WeakPolarHBondContact OD1-CD 3.33Å; D553-K579 WeakPolarHBondContact OD1-CE 3.35Å; D553-K579 IonicContact OD1-NZ 3.45Å; D553-K579 PolarHBondContact OD1-NZ 3.05Å; D553-K579 IonicContact OD2-NZ 3.87Å; D553-K579 PolarHBondContact OD2-NZ 3.14Å; D553-K579 VanDerWaalsContact OD2-NZ 3.12Å; K579-G581 PolarHBondContact O-N 3.27Å; K579-G582 WeakPolarHBondContact O-CA 3.43Å; K579-G582 PolarHBondContact O-N 3.25Å
580P98.1Very high96.7Very high55 Ų5527 Ų2736%0.35714%0.135SC..EExtended strand (participates in β ladder)trans-52.3130.8164.2-22.933.9000110.5G582P580-G582 PolarHBondContact O-N 2.82Å
581G96.5Very high96.6Very high33 Ų3327 Ų2734%0.3414%0.135SC..EExtended strand (participates in β ladder)trans77.9-6.6-173.200000115.8K579 K667K579-G581 PolarHBondContact O-N 3.27Å; G581-K667 VanDerWaalsContact CA-O 3.28Å; G581-K667 WeakPolarHBondContact CA-O 3.42Å; G581-K667 PolarHBondContact N-O 3.35Å
582G96.4Very high96.4Very high7 Ų728 Ų287%0.07214%0.14CC..EExtended strand (participates in β ladder)trans-66.8160.2176.300000112.8D553 L578 K579 P580 R666 K667D553-G582 VanDerWaalsContact O-CA 3.29Å; D553-G582 WeakPolarHBondContact O-CA 3.35Å; L578-G582 WeakPolarHBondContact CD2-O 3.42Å; K579-G582 WeakPolarHBondContact O-CA 3.43Å; K579-G582 PolarHBondContact O-N 3.25Å; P580-G582 PolarHBondContact O-N 2.82Å; G582-R666 WeakPolarHBondContact O-CA 3.48Å; G582-K667 PolarHBondContact O-N 2.81Å
583L96.4Very high96.2Very high13 Ų1323.9 Ų23.97%0.06813%0.128CC..EExtended strand (participates in β ladder)trans-110144.4-175.1-61.6174000112.4Q475 L478 D553 F554 I555 L578 L649 L664 C665 R666Q475-L583 VanDerWaalsContact CD-CD1 3.43Å; Q475-L583 HydrophobicContact CG-CD1 4.22Å; L478-L583 HydrophobicContact CD1-CD1 4.23Å; D553-L583 PolarHBondContact O-N 2.76Å; F554-L583 CarbonylContact C-O 3.58Å; F554-L583 VanDerWaalsContact CA-O 3.29Å; F554-L583 WeakPolarHBondContact CA-O 3.48Å; F554-L583 HydrophobicContact CD2-CB 3.59Å; F554-L583 HydrophobicContact CD2-CD1 4.09Å; F554-L583 HydrophobicContact CD2-CG 4.43Å; F554-L583 HydrophobicContact CE2-CB 3.68Å; F554-L583 HydrophobicContact CE2-CD1 3.9Å; F554-L583 HydrophobicContact CE2-CG 4.47Å; I555-L583 PolarHBondContact N-O 2.82Å; L578-L583 WeakPolarHBondContact CD1-O 3.39Å; L583-L649 HydrophobicContact CD2-CD1 3.83Å; L583-L664 HydrophobicContact CB-CD1 4.34Å; L583-C665 CarbonylContact C-O 3.5Å; L583-C665 WeakPolarHBondContact CA-O 3.37Å; L583-R666 HydrophobicContact CD2-CB 4.06Å; L583-R666 HydrophobicContact CD2-CG 4.37Å
584F97Very high96Very high0 Ų024.5 Ų24.50%013%0.133CC..EExtended strand (participates in β ladder)trans-123.7111.1173.1-175-162.3000109.5I488 I555 A557 I561 L571 M574 L578 I586 F646 C665I488-F584 HydrophobicContact CD1-CZ 4.25Å; I555-F584 HydrophobicContact CB-CD2 3.63Å; I555-F584 HydrophobicContact CB-CE2 4.13Å; I555-F584 HydrophobicContact CB-CG 4.29Å; I555-F584 HydrophobicContact CG2-CD2 3.53Å; I555-F584 HydrophobicContact CG2-CE2 3.48Å; I555-F584 VanDerWaalsContact CG2-CE2 3.48Å; I555-F584 HydrophobicContact CG2-CG 4.45Å; I555-F584 HydrophobicContact CG2-CZ 4.36Å; I555-F584 WeakPolarHBondContact O-CD2 3.42Å; A557-F584 HydrophobicContact CB-CE2 3.62Å; A557-F584 HydrophobicContact CB-CZ 3.92Å; I561-F584 HydrophobicContact CD1-CZ 4.43Å; L571-F584 HydrophobicContact CD2-CE1 3.89Å; M574-F584 HydrophobicContact CB-CD1 4.36Å; M574-F584 HydrophobicContact CB-CE1 3.96Å; M574-F584 HydrophobicContact CB-CZ 4.3Å; M574-F584 HydrophobicContact CG-CE1 4.03Å; M574-F584 HydrophobicContact CG-CZ 3.91Å; L578-F584 HydrophobicContact CD2-CB 4.24Å; F584-I586 HydrophobicContact CD1-CD1 3.69Å; F584-I586 HydrophobicContact CD1-CG1 4.05Å; F584-I586 HydrophobicContact CD2-CD1 4.16Å; F584-I586 HydrophobicContact CD2-CG1 3.93Å; F584-I586 HydrophobicContact CE1-CD1 3.84Å; F584-I586 HydrophobicContact CE1-CG1 3.76Å; F584-I586 HydrophobicContact CE2-CD1 4.3Å; F584-I586 HydrophobicContact CE2-CG1 3.64Å; F584-I586 HydrophobicContact CG-CD1 3.87Å; F584-I586 HydrophobicContact CG-CG1 4.13Å; F584-I586 HydrophobicContact CZ-CD1 4.15Å; F584-I586 HydrophobicContact CZ-CG1 3.55Å; F584-F646 HydrophobicContact CB-CE1 4.15Å; F584-F646 AromaticContact CD1-CE1 3.96Å; F584-F646 HydrophobicContact CD1-CE1 3.96Å; F584-F646 AromaticContact CD1-CE2 3.93Å; F584-F646 HydrophobicContact CD1-CE2 3.93Å; F584-F646 AromaticContact CD1-CZ 3.6Å; F584-F646 HydrophobicContact CD1-CZ 3.6Å; F584-F646 HydrophobicContact CE1-CE2 4.28Å; F584-F646 HydrophobicContact CE1-CZ 4.23Å; F584-F646 HydrophobicContact CG-CZ 4.5Å; F584-C665 HydrophobicContact CB-CB 4.25Å; F584-C665 PolarHBondContact N-O 2.96Å; F584-C665 PolarHBondContact O-N 3.41Å
585S95.3Very high95.9Very high0 Ų025 Ų250%014%0.136CC..EExtended strand (participates in β ladder)trans-96.3114.1177.2177.40000109.3I555 T556 A557 H662I555-S585 PolarHBondContact O-N 2.54Å; T556-S585 CarbonylContact C-O 3.52Å; T556-S585 WeakPolarHBondContact CA-O 3.28Å; A557-S585 PolarHBondContact N-O 2.95Å; S585-H662 PolarHBondContact OG-CD2 3.31Å; S585-H662 PolarHBondContact OG-NE2 3.2Å
586I95.2Very high95.7Very high1 Ų123.3 Ų23.31%0.00513%0.13CC..EExtended strand (participates in β ladder)trans-112.2125.4176.3-49.6104.6000108.5A557 I561 F584 D588 F641 H662 Y663 C665A557-I586 HydrophobicContact CB-CB 4.43Å; A557-I586 HydrophobicContact CB-CG1 4.25Å; A557-I586 HydrophobicContact CB-CG2 4.1Å; A557-I586 CarbonylContact O-C 3.43Å; A557-I586 WeakPolarHBondContact O-CA 3.36Å; I561-I586 HydrophobicContact CG1-CG2 3.98Å; F584-I586 HydrophobicContact CD1-CD1 3.69Å; F584-I586 HydrophobicContact CD1-CG1 4.05Å; F584-I586 HydrophobicContact CD2-CD1 4.16Å; F584-I586 HydrophobicContact CD2-CG1 3.93Å; F584-I586 HydrophobicContact CE1-CD1 3.84Å; F584-I586 HydrophobicContact CE1-CG1 3.76Å; F584-I586 HydrophobicContact CE2-CD1 4.3Å; F584-I586 HydrophobicContact CE2-CG1 3.64Å; F584-I586 HydrophobicContact CG-CD1 3.87Å; F584-I586 HydrophobicContact CG-CG1 4.13Å; F584-I586 HydrophobicContact CZ-CD1 4.15Å; F584-I586 HydrophobicContact CZ-CG1 3.55Å; I586-D588 HydrophobicContact CG2-CB 4.34Å; I586-F641 HydrophobicContact CB-CZ 4.3Å; I586-F641 HydrophobicContact CD1-CD2 4.44Å; I586-F641 HydrophobicContact CD1-CE1 4.27Å; I586-F641 HydrophobicContact CD1-CE2 4.06Å; I586-F641 HydrophobicContact CD1-CZ 3.97Å; I586-F641 HydrophobicContact CG1-CZ 4.2Å; I586-F641 HydrophobicContact CG2-CZ 4.14Å; I586-H662 CarbonylContact O-C 3.54Å; I586-H662 WeakPolarHBondContact O-CA 2.99Å; I586-Y663 HydrophobicContact CB-CD2 4.44Å; I586-Y663 PolarHBondContact N-O 3.34Å; I586-Y663 PolarHBondContact O-N 3.23Å; I586-C665 HydrophobicContact CD1-CB 4.38Å
587V93.3Very high95.6Very high3 Ų324 Ų242%0.01814%0.139CC..EExtended strand (participates in β ladder)trans-107.7121.3167.31770000107L473 A557 F558 D559 M654 N660 Y661 H662L473-V587 HydrophobicContact CD1-CG2 3.84Å; A557-V587 PolarHBondContact O-N 3.24Å; F558-V587 HydrophobicContact CD1-CB 3.88Å; F558-V587 HydrophobicContact CD1-CG2 3.76Å; F558-V587 HydrophobicContact CE1-CG2 3.93Å; D559-V587 PolarHBondContact N-O 2.97Å; V587-M654 HydrophobicContact CB-SD 4.22Å; V587-M654 HydrophobicContact CG1-SD 3.41Å; V587-M654 WeakPolarHBondContact CG1-SD 3.35Å; V587-M654 HydrophobicContact CG2-SD 3.71Å; V587-N660 HydrophobicContact CG1-CB 3.71Å; V587-Y661 WeakPolarHBondContact CA-O 3.46Å; V587-H662 HydrophobicContact CG2-CB 4.46Å
588D94.3Very high95.4Very high0 Ų024.1 Ų24.10%014%0.14CC..EExtended strand (participates in β ladder)trans-147.7166.3-178.6-148.2-68.4000109.8D559 H562 I586 W632 N660 Y661 Y663D559-D588 WeakPolarHBondContact OD1-CA 3.33Å; H562-D588 IonicContact CE1-OD1 2.74Å; H562-D588 IonicContact CG-OD1 3.16Å; H562-D588 IonicContact CG-OD2 3.81Å; H562-D588 VanDerWaalsContact ND1-CG 3.3Å; H562-D588 IonicContact ND1-OD1 2.81Å; H562-D588 PolarHBondContact ND1-OD1 2.92Å; H562-D588 IonicContact ND1-OD2 3.13Å; H562-D588 PolarHBondContact ND1-OD2 2.95Å; H562-D588 VanDerWaalsContact ND1-OD2 3.13Å; I586-D588 HydrophobicContact CG2-CB 4.34Å; D588-W632 HydrophobicContact CB-CZ2 4.42Å; D588-W632 PolarHBondContact OD1-NE1 3.37Å; D588-N660 CarbonylContact O-C 3.59Å; D588-N660 VanDerWaalsContact O-CA 3.22Å; D588-N660 WeakPolarHBondContact O-CA 3.42Å; D588-N660 WeakPolarHBondContact O-CB 3.14Å; D588-N660 PolarHBondContact O-ND2 3.36Å; D588-Y661 PolarHBondContact N-O 2.9Å; D588-Y661 PolarHBondContact O-N 3.36Å; D588-Y663 HydrophobicContact CB-CE2 4.3Å
589I92.6Very high95.3Very high15 Ų1527.4 Ų27.48%0.07715%0.154CC..EExtended strand (participates in β ladder)trans-64142.8-169-62.7-71.1000111.7G591 F607 T630 M631I589-G591 PolarHBondContact O-N 3.25Å; I589-F607 HydrophobicContact CD1-CE1 4.39Å; I589-F607 HydrophobicContact CG2-CD1 4.44Å; I589-F607 HydrophobicContact CG2-CD2 4.1Å; I589-F607 HydrophobicContact CG2-CE2 4.43Å; I589-F607 HydrophobicContact CG2-CG 4.13Å; I589-T630 HydrophobicContact CB-CG2 4.18Å; I589-T630 HydrophobicContact CD1-CG2 4.43Å; I589-T630 HydrophobicContact CG1-CG2 3.68Å; I589-T630 HydrophobicContact CG2-CG2 4.14Å; I589-M631 HydrophobicContact CG2-SD 4.08Å
590K93.2Very high95Very high79 Ų7932.4 Ų32.434%0.34318%0.176SC..  trans-78.481.7178.9-172.1177178171.80111T653 P658 A659 Y661K590-T653 HydrophobicContact CD-CG2 4.2Å; K590-T653 WeakPolarHBondContact CE-OG1 3.4Å; K590-T653 PolarHBondContact NZ-OG1 3.21Å; K590-P658 WeakPolarHBondContact CD-O 3.32Å; K590-A659 WeakPolarHBondContact CB-O 3.48Å; K590-A659 PolarHBondContact N-O 2.92Å; K590-Y661 HydrophobicContact CB-CD2 4.2Å; K590-Y661 HydrophobicContact CB-CE2 4.29Å; K590-Y661 HydrophobicContact CB-CG 4.47Å; K590-Y661 HydrophobicContact CD-CE1 4.11Å; K590-Y661 WeakPolarHBondContact CE-OH 3.16Å; K590-Y661 HydrophobicContact CG-CD1 4.27Å; K590-Y661 HydrophobicContact CG-CD2 3.93Å; K590-Y661 HydrophobicContact CG-CE1 3.91Å; K590-Y661 HydrophobicContact CG-CE2 3.57Å; K590-Y661 HydrophobicContact CG-CG 4.26Å
591G95Very high94.6Very high0 Ų031.9 Ų31.90%018%0.177CC..  trans-120.8163.3166.800000112.2I589 G633 R634I589-G591 PolarHBondContact O-N 3.25Å; G591-G633 CarbonylContact O-C 3.29Å; G591-G633 VanDerWaalsContact O-CA 3.25Å; G591-G633 WeakPolarHBondContact O-CA 3.49Å; G591-R634 PolarHBondContact O-N 3.01Å
592E94.7Very high94.1Very high21 Ų2135.6 Ų35.610%0.09820%0.195CC..  trans-11812.9-173.4-69.8-69.4145.900114.5D594 V597 D598 R634 Q635 Y661E592-D594 PolarHBondContact O-N 3.42Å; E592-V597 HydrophobicContact CB-CB 3.96Å; E592-V597 HydrophobicContact CB-CG1 3.86Å; E592-V597 HydrophobicContact CG-CB 4.35Å; E592-V597 HydrophobicContact CG-CG1 3.67Å; E592-D598 PolarHBondContact N-OD1 3.16Å; E592-R634 IonicContact OE1-CZ 2.93Å; E592-R634 IonicContact OE1-NE 3.93Å; E592-R634 PolarHBondContact OE1-NE 3.39Å; E592-R634 IonicContact OE1-NH2 2.9Å; E592-R634 IonicContact OE2-CZ 2.69Å; E592-R634 IonicContact OE2-NE 3.81Å; E592-R634 PolarHBondContact OE2-NE 2.94Å; E592-R634 VanDerWaalsContact OE2-NE 3.16Å; E592-R634 IonicContact OE2-NH2 3.05Å; E592-R634 PolarHBondContact OE2-NH2 3.18Å; E592-Q635 VanDerWaalsContact CA-OE1 3.3Å; E592-Q635 PolarHBondContact O-NE2 3.11Å; E592-Q635 VanDerWaalsContact O-NE2 3.08Å; E592-Q635 PolarHBondContact O-OE1 3.15Å; E592-Q635 PolarHBondContact OE2-NE2 2.82Å; E592-Y661 VanDerWaalsContact OE1-CE2 3.32Å; E592-Y661 WeakPolarHBondContact OE1-CE2 3.43Å; E592-Y661 VanDerWaalsContact OE1-CZ 3.27Å; E592-Y661 PolarHBondContact OE1-OH 3.24Å
593S93.4Very high93.7Very high51 Ų5135.8 Ų35.836%0.35719%0.194SC..SBendtrans53.49.6-177.4-50.30000114.3W632 G633 T636S593-W632 PolarHBondContact OG-O 3.17Å; S593-G633 VanDerWaalsContact OG-C 3.28Å; S593-G633 VanDerWaalsContact OG-CA 3.26Å; S593-G633 WeakPolarHBondContact OG-CA 3.09Å; S593-G633 PolarHBondContact OG-O 3.41Å; S593-T636 PolarHBondContact OG-N 2.9Å; S593-T636 PolarHBondContact OG-OG1 2.68Å
594D94.8Very high93.6Very high60 Ų6035.3 Ų35.332%0.32119%0.192SC..  trans-132.1109.6-178178.1-11.7000106.8E592 N596 V597 D598E592-D594 PolarHBondContact O-N 3.42Å; D594-N596 PolarHBondContact O-N 2.87Å; D594-N596 WeakPolarHBondContact OD1-CB 3.43Å; D594-N596 PolarHBondContact OD1-N 3.4Å; D594-V597 HydrophobicContact CB-CB 4.39Å; D594-V597 HydrophobicContact CB-CG2 4.04Å; D594-V597 PolarHBondContact O-N 2.94Å; D594-D598 PolarHBondContact O-N 3.34Å
595L95.1Very high93.4Very high12 Ų1235.4 Ų35.46%0.06319%0.192CC..Hα-helixtrans-62.7-26.5-175.6-173.159.3000112.7V74 C81 Y88 V597 K599 Y608V74-L595 HydrophobicContact CB-CD1 4.28Å; V74-L595 HydrophobicContact CB-CD2 3.88Å; V74-L595 HydrophobicContact CB-CG 4.19Å; V74-L595 HydrophobicContact CG1-CD1 4.15Å; V74-L595 HydrophobicContact CG1-CD2 3.87Å; V74-L595 HydrophobicContact CG1-CG 3.78Å; V74-L595 HydrophobicContact CG2-CD2 3.94Å; C81-L595 HydrophobicContact CB-CD2 4.46Å; Y88-L595 HydrophobicContact CE1-CD2 3.64Å; L595-V597 VanDerWaalsContact C-N 3.28Å; L595-V597 PolarHBondContact O-N 3.45Å; L595-K599 VanDerWaalsContact O-CB 3.27Å; L595-K599 WeakPolarHBondContact O-CB 3.46Å; L595-K599 WeakPolarHBondContact O-CG 3.42Å; L595-K599 PolarHBondContact O-N 2.89Å; L595-Y608 HydrophobicContact CD1-CE2 3.89Å
596N95Very high93.3Very high23 Ų2335.7 Ų35.712%0.12319%0.194CC..Hα-helixtrans-73.3-22176.3-78.9-60.7000113.3D82 S83 G85 D594 K599 K600D82-N596 PolarHBondContact O-ND2 2.93Å; S83-N596 PolarHBondContact O-ND2 2.87Å; G85-N596 PolarHBondContact N-ND2 3.37Å; D594-N596 PolarHBondContact O-N 2.87Å; D594-N596 WeakPolarHBondContact OD1-CB 3.43Å; D594-N596 PolarHBondContact OD1-N 3.4Å; N596-K599 VanDerWaalsContact OD1-CE 3.23Å; N596-K599 WeakPolarHBondContact OD1-CE 3.37Å; N596-K599 PolarHBondContact OD1-NZ 3.25Å; N596-K600 WeakPolarHBondContact O-CE 3.24Å
597V95.8Very high93.3Very high65 Ų6536.9 Ų36.939%0.39420%0.199SC..Hα-helixtrans-85-49.4170.8-175.10000109.6E592 D594 L595 K599 K600E592-V597 HydrophobicContact CB-CB 3.96Å; E592-V597 HydrophobicContact CB-CG1 3.86Å; E592-V597 HydrophobicContact CG-CB 4.35Å; E592-V597 HydrophobicContact CG-CG1 3.67Å; D594-V597 HydrophobicContact CB-CB 4.39Å; D594-V597 HydrophobicContact CB-CG2 4.04Å; D594-V597 PolarHBondContact O-N 2.94Å; L595-V597 VanDerWaalsContact C-N 3.28Å; L595-V597 PolarHBondContact O-N 3.45Å; V597-K599 VanDerWaalsContact C-N 3.31Å; V597-K599 PolarHBondContact O-N 3.17Å; V597-K600 PolarHBondContact O-N 2.84Å; V597-K600 VanDerWaalsContact O-N 3.14Å
598D95.8Very high93.5Very high4 Ų437.7 Ų37.72%0.02120%0.202CC..Hα-helixtrans-58.5-40.7-178.5-68.4-21.2000112.1E592 D594 K600 A601 S604 Y608 M631E592-D598 PolarHBondContact N-OD1 3.16Å; D594-D598 PolarHBondContact O-N 3.34Å; D598-K600 PolarHBondContact O-N 3.5Å; D598-A601 PolarHBondContact O-N 2.84Å; D598-S604 WeakPolarHBondContact O-CB 3.47Å; D598-S604 PolarHBondContact O-OG 3.33Å; D598-Y608 HydrophobicContact CB-CE2 4.04Å; D598-Y608 PolarHBondContact OD2-OH 2.88Å; D598-M631 HydrophobicContact CB-CE 3.94Å; D598-M631 VanDerWaalsContact CG-CE 3.42Å; D598-M631 WeakPolarHBondContact OD2-CE 3.22Å
599K94.2Very high93.5Very high68 Ų6837.7 Ų37.730%0.29620%0.202SC..THydrogen-bonded Turntrans-62.1-15.5-178.377-174.5-171.9-173.70114.4V74 L595 N596 V597V74-K599 HydrophobicContact CG1-CB 4.04Å; V74-K599 HydrophobicContact CG1-CD 3.87Å; L595-K599 VanDerWaalsContact O-CB 3.27Å; L595-K599 WeakPolarHBondContact O-CB 3.46Å; L595-K599 WeakPolarHBondContact O-CG 3.42Å; L595-K599 PolarHBondContact O-N 2.89Å; N596-K599 VanDerWaalsContact OD1-CE 3.23Å; N596-K599 WeakPolarHBondContact OD1-CE 3.37Å; N596-K599 PolarHBondContact OD1-NZ 3.25Å; V597-K599 VanDerWaalsContact C-N 3.31Å; V597-K599 PolarHBondContact O-N 3.17Å
600K93.3Very high93.6Very high170 Ų17037.5 Ų37.574%0.73920%0.201SC*.THydrogen-bonded Turntrans-93.4-17.9176.7-59.8173.5-175.2170.60112.4N596 V597 D598N596-K600 WeakPolarHBondContact O-CE 3.24Å; V597-K600 PolarHBondContact O-N 2.84Å; V597-K600 VanDerWaalsContact O-N 3.14Å; D598-K600 PolarHBondContact O-N 3.5Å
601A89.9Confident93.7Very high45 Ų4533.7 Ų33.737%0.37219%0.185SC..SBendtrans-81141179.900000110.8D598 S604D598-A601 PolarHBondContact O-N 2.84Å; A601-S604 WeakPolarHBondContact CB-OG 3.16Å; A601-S604 PolarHBondContact O-OG 3.38Å
602P85.2Confident93.7Very high111 Ų11133.7 Ų33.772%0.72119%0.185SC*.THydrogen-bonded Turntrans-62.1149.8174.327.6-34000110S604P602-S604 PolarHBondContact O-N 3.41Å; P602-S604 VanDerWaalsContact O-N 3.11Å
603M89Confident93.6Very high11 Ų1132.7 Ų32.75%0.05418%0.18CC..THydrogen-bonded Turntrans65.2-0.8178.6-58.9-67.3-7100117.1M18 C21 N22 G605 C606 F607M18-M603 HydrophobicContact CB-SD 4.01Å; M18-M603 HydrophobicContact CE-CE 4.18Å; M18-M603 HydrophobicContact CE-CG 3.44Å; M18-M603 VanDerWaalsContact CE-CG 3.44Å; M18-M603 HydrophobicContact CE-SD 3.89Å; M18-M603 HydrophobicContact SD-CE 4.45Å; M18-M603 HydrophobicContact SD-CG 4.48Å; M18-M603 HydrophobicContact SD-SD 4.2Å; C21-M603 HydrophobicContact CB-CE 3.91Å; C21-M603 HydrophobicContact CB-SD 4.4Å; N22-M603 HydrophobicContact CB-SD 3.71Å; N22-M603 WeakPolarHBondContact OD1-CA 3.43Å; M603-G605 PolarHBondContact O-N 3.41Å; M603-C606 HydrophobicContact CB-CB 4.37Å; M603-C606 HydrophobicContact CE-CB 3.69Å; M603-C606 WeakPolarHBondContact O-CA 3.43Å; M603-C606 WeakPolarHBondContact O-CB 3.33Å; M603-C606 PolarHBondContact O-N 2.9Å; M603-C606 HydrophobicContact SD-CB 4.46Å; M603-F607 HydrophobicContact CB-CD2 4.28Å; M603-F607 HydrophobicContact CB-CE2 3.73Å; M603-F607 HydrophobicContact CB-CZ 3.94Å; M603-F607 WeakPolarHBondContact O-CD2 3.32Å; M603-F607 PolarHBondContact O-N 3.46Å
604S93.4Very high93.5Very high3 Ų330.3 Ų30.32%0.02116%0.163CC..Hα-helixtrans-57.2-36.9179.2-60.30000112.7D598 A601 P602 C606 F607 Y608D598-S604 WeakPolarHBondContact O-CB 3.47Å; D598-S604 PolarHBondContact O-OG 3.33Å; A601-S604 WeakPolarHBondContact CB-OG 3.16Å; A601-S604 PolarHBondContact O-OG 3.38Å; P602-S604 PolarHBondContact O-N 3.41Å; P602-S604 VanDerWaalsContact O-N 3.11Å; S604-C606 VanDerWaalsContact C-N 3.31Å; S604-C606 PolarHBondContact O-N 3.42Å; S604-F607 PolarHBondContact O-N 2.88Å; S604-Y608 VanDerWaalsContact O-CD2 3.29Å; S604-Y608 WeakPolarHBondContact O-CD2 3.35Å; S604-Y608 PolarHBondContact O-N 2.91Å
605G93.6Very high93.5Very high1 Ų127.6 Ų27.61%0.0115%0.149CC..Hα-helixtrans-60.5-39.6174.100000112.8N22 M603 T609N22-G605 PolarHBondContact OD1-N 3.03Å; M603-G605 PolarHBondContact O-N 3.41Å; G605-T609 WeakPolarHBondContact O-CB 3.45Å; G605-T609 PolarHBondContact O-N 3.23Å; G605-T609 VanDerWaalsContact O-N 3.16Å; G605-T609 PolarHBondContact O-OG1 2.77Å
606C93.4Very high93.4Very high6 Ų627 Ų274%0.04115%0.146CC..Hα-helixtrans-58.7-54.3169.1177.10000111.4N22 Y25 M603 S604 Y608 T609 V610N22-C606 PolarHBondContact OD1-N 3.36Å; Y25-C606 HydrophobicContact CD2-CB 4Å; Y25-C606 WeakPolarHBondContact CD2-SG 3.42Å; Y25-C606 VanDerWaalsContact CE2-SG 3.54Å; Y25-C606 HydrophobicContact CG-CB 4.1Å; Y25-C606 VanDerWaalsContact CG-SG 3.55Å; M603-C606 HydrophobicContact CB-CB 4.37Å; M603-C606 HydrophobicContact CE-CB 3.69Å; M603-C606 WeakPolarHBondContact O-CA 3.43Å; M603-C606 WeakPolarHBondContact O-CB 3.33Å; M603-C606 PolarHBondContact O-N 2.9Å; M603-C606 HydrophobicContact SD-CB 4.46Å; S604-C606 VanDerWaalsContact C-N 3.31Å; S604-C606 PolarHBondContact O-N 3.42Å; C606-Y608 PolarHBondContact O-N 2.95Å; C606-T609 CarbonylContact O-C 3.5Å; C606-T609 WeakPolarHBondContact O-CA 3.16Å; C606-T609 WeakPolarHBondContact O-CB 3.26Å; C606-T609 PolarHBondContact O-N 3.34Å; C606-V610 WeakPolarHBondContact O-CG2 3.35Å; C606-V610 PolarHBondContact O-N 3.28Å
607F94.6Very high93.3Very high27 Ų2726 Ų2612%0.11814%0.141CC..Hα-helixtrans-65-38.7-173.9-61-44.3000113.5I589 M603 S604 T609 V610 S611 T630 M631 A659I589-F607 HydrophobicContact CD1-CE1 4.39Å; I589-F607 HydrophobicContact CG2-CD1 4.44Å; I589-F607 HydrophobicContact CG2-CD2 4.1Å; I589-F607 HydrophobicContact CG2-CE2 4.43Å; I589-F607 HydrophobicContact CG2-CG 4.13Å; M603-F607 HydrophobicContact CB-CD2 4.28Å; M603-F607 HydrophobicContact CB-CE2 3.73Å; M603-F607 HydrophobicContact CB-CZ 3.94Å; M603-F607 WeakPolarHBondContact O-CD2 3.32Å; M603-F607 PolarHBondContact O-N 3.46Å; S604-F607 PolarHBondContact O-N 2.88Å; F607-T609 VanDerWaalsContact C-N 3.3Å; F607-T609 PolarHBondContact O-N 3.22Å; F607-V610 PolarHBondContact O-N 3.23Å; F607-S611 WeakPolarHBondContact O-CB 3.27Å; F607-S611 PolarHBondContact O-N 3.25Å; F607-T630 HydrophobicContact CB-CG2 4.13Å; F607-T630 HydrophobicContact CD1-CG2 4.47Å; F607-M631 HydrophobicContact CB-CG 3.77Å; F607-M631 HydrophobicContact CB-SD 3.37Å; F607-M631 WeakPolarHBondContact CB-SD 3.18Å; F607-M631 HydrophobicContact CD2-SD 4.09Å; F607-M631 HydrophobicContact CG-SD 4.13Å; F607-A659 HydrophobicContact CE2-CB 4.42Å; F607-A659 HydrophobicContact CZ-CB 3.76Å
608Y96.6Very high93Very high20 Ų2023.3 Ų23.38%0.07812%0.124CC..Hα-helixtrans-63.3-36170.7-83.4-76.9000112E68 C75 L595 D598 S604 C606 S611 L612 M631E68-Y608 HydrophobicContact CG-CD1 4.47Å; E68-Y608 WeakPolarHBondContact OE1-CD1 3.36Å; C75-Y608 HydrophobicContact CB-CD2 4.39Å; C75-Y608 VanDerWaalsContact SG-CD2 3.57Å; C75-Y608 VanDerWaalsContact SG-CE2 3.56Å; L595-Y608 HydrophobicContact CD1-CE2 3.89Å; D598-Y608 HydrophobicContact CB-CE2 4.04Å; D598-Y608 PolarHBondContact OD2-OH 2.88Å; S604-Y608 VanDerWaalsContact O-CD2 3.29Å; S604-Y608 WeakPolarHBondContact O-CD2 3.35Å; S604-Y608 PolarHBondContact O-N 2.91Å; C606-Y608 PolarHBondContact O-N 2.95Å; Y608-S611 WeakPolarHBondContact O-CB 3.18Å; Y608-S611 PolarHBondContact O-N 2.7Å; Y608-L612 WeakPolarHBondContact O-CB 3.41Å; Y608-L612 PolarHBondContact O-N 2.76Å; Y608-M631 HydrophobicContact CD1-CB 3.95Å; Y608-M631 HydrophobicContact CD1-CG 4.04Å; Y608-M631 HydrophobicContact CD2-CB 4.28Å; Y608-M631 HydrophobicContact CD2-CE 4.26Å; Y608-M631 HydrophobicContact CD2-CG 3.72Å; Y608-M631 HydrophobicContact CE1-CB 3.61Å; Y608-M631 HydrophobicContact CE1-CG 4.1Å; Y608-M631 HydrophobicContact CE2-CB 3.93Å; Y608-M631 HydrophobicContact CE2-CE 3.71Å; Y608-M631 HydrophobicContact CE2-CG 3.75Å; Y608-M631 HydrophobicContact CG-CB 4.27Å; Y608-M631 HydrophobicContact CG-CG 3.85Å
609T95.2Very high92.9Very high0 Ų023.1 Ų23.10%012%0.123CC..Hα-helixtrans-68.7-44.9174.7-55.80000111.7Y25 A29 G605 C606 F607 S611 L612 F613Y25-T609 HydrophobicContact CD1-CG2 4.07Å; Y25-T609 VanDerWaalsContact O-CG2 3.26Å; Y25-T609 WeakPolarHBondContact O-CG2 3.45Å; Y25-T609 PolarHBondContact O-OG1 2.95Å; A29-T609 HydrophobicContact CB-CG2 4.18Å; G605-T609 WeakPolarHBondContact O-CB 3.45Å; G605-T609 PolarHBondContact O-N 3.23Å; G605-T609 VanDerWaalsContact O-N 3.16Å; G605-T609 PolarHBondContact O-OG1 2.77Å; C606-T609 CarbonylContact O-C 3.5Å; C606-T609 WeakPolarHBondContact O-CA 3.16Å; C606-T609 WeakPolarHBondContact O-CB 3.26Å; C606-T609 PolarHBondContact O-N 3.34Å; F607-T609 VanDerWaalsContact C-N 3.3Å; F607-T609 PolarHBondContact O-N 3.22Å; T609-S611 PolarHBondContact O-N 3.25Å; T609-L612 PolarHBondContact O-N 2.85Å; T609-F613 HydrophobicContact CG2-CD2 3.78Å; T609-F613 HydrophobicContact CG2-CE2 4.01Å; T609-F613 WeakPolarHBondContact O-CB 3.24Å; T609-F613 WeakPolarHBondContact O-CD2 3.23Å; T609-F613 PolarHBondContact O-N 2.84Å
610V93.7Very high92.8Very high10 Ų1021 Ų216%0.06112%0.115CC..Hα-helixtrans-57.9-41.9174.5173.40000110.2Y25 M420 L424 C606 F607 F613 H614Y25-V610 HydrophobicContact CD1-CG2 3.93Å; Y25-V610 HydrophobicContact CE1-CG2 3.63Å; M420-V610 HydrophobicContact CE-CG1 4.39Å; M420-V610 HydrophobicContact SD-CB 4.38Å; M420-V610 HydrophobicContact SD-CG1 3.91Å; M420-V610 HydrophobicContact SD-CG2 3.49Å; M420-V610 WeakPolarHBondContact SD-CG2 3.22Å; L424-V610 HydrophobicContact CD1-CG2 4.17Å; C606-V610 WeakPolarHBondContact O-CG2 3.35Å; C606-V610 PolarHBondContact O-N 3.28Å; F607-V610 PolarHBondContact O-N 3.23Å; V610-F613 PolarHBondContact O-N 2.89Å; V610-H614 WeakPolarHBondContact O-CB 3.12Å; V610-H614 PolarHBondContact O-N 3.31Å
611S95.4Very high92.5Very high0 Ų014.6 Ų14.60%09%0.088CC..Iπ-helixtrans-58.8-49.6175-173.60000112.3E68 F607 Y608 T609 F613 C615 M616 P617 G629 T630E68-S611 WeakPolarHBondContact OE1-CB 3.46Å; E68-S611 PolarHBondContact OE1-OG 3.17Å; F607-S611 WeakPolarHBondContact O-CB 3.27Å; F607-S611 PolarHBondContact O-N 3.25Å; Y608-S611 WeakPolarHBondContact O-CB 3.18Å; Y608-S611 PolarHBondContact O-N 2.7Å; T609-S611 PolarHBondContact O-N 3.25Å; S611-F613 VanDerWaalsContact C-N 3.3Å; S611-F613 PolarHBondContact O-N 3.26Å; S611-C615 PolarHBondContact O-N 2.98Å; S611-M616 WeakPolarHBondContact O-CB 3.47Å; S611-M616 PolarHBondContact O-N 3.05Å; S611-P617 VanDerWaalsContact O-CD 3.26Å; S611-P617 WeakPolarHBondContact O-CD 3.44Å; S611-G629 VanDerWaalsContact OG-CA 3.29Å; S611-G629 WeakPolarHBondContact OG-CA 3.15Å; S611-T630 WeakPolarHBondContact CA-OG1 3.2Å; S611-T630 WeakPolarHBondContact CB-OG1 3.29Å; S611-T630 PolarHBondContact N-OG1 3.32Å; S611-T630 PolarHBondContact OG-N 3.03Å; S611-T630 VanDerWaalsContact OG-N 3.1Å
612L94.6Very high92.3Very high0 Ų017 Ų170%09%0.09CC..Iπ-helixtrans-60.7-38.3179.2179.561.1000112.7L32 Y65 E68 W69 I431 F435 Y608 T609 M616 P617L32-L612 HydrophobicContact CD1-CD2 3.59Å; L32-L612 HydrophobicContact CD1-CG 4.17Å; Y65-L612 HydrophobicContact CD1-CD1 3.92Å; E68-L612 HydrophobicContact CB-CB 4.45Å; E68-L612 HydrophobicContact CB-CD1 4.17Å; E68-L612 HydrophobicContact CG-CB 4Å; W69-L612 HydrophobicContact CB-CD2 4.03Å; I431-L612 HydrophobicContact CG2-CG 4.46Å; F435-L612 HydrophobicContact CE2-CD1 3.83Å; F435-L612 HydrophobicContact CZ-CD1 3.7Å; F435-L612 HydrophobicContact CZ-CD2 4.25Å; Y608-L612 WeakPolarHBondContact O-CB 3.41Å; Y608-L612 PolarHBondContact O-N 2.76Å; T609-L612 PolarHBondContact O-N 2.85Å; L612-M616 HydrophobicContact CD1-CE 3.96Å; L612-P617 WeakPolarHBondContact O-CD 3.47Å; L612-P617 WeakPolarHBondContact O-CG 3.41Å
613F92.7Very high92.2Very high0 Ų018.6 Ų18.60%09%0.088CC..Iπ-helixtrans-90.7-22.9-175.4-87.1-100.7000114.8L28 L32 L424 I431 Y454 T609 V610 S611L28-F613 HydrophobicContact CD1-CE1 4.26Å; L28-F613 HydrophobicContact CD1-CZ 3.91Å; L28-F613 HydrophobicContact CD2-CD1 4.1Å; L28-F613 HydrophobicContact CD2-CD2 4.26Å; L28-F613 HydrophobicContact CD2-CE1 3.68Å; L28-F613 HydrophobicContact CD2-CE2 3.84Å; L28-F613 HydrophobicContact CD2-CG 4.38Å; L28-F613 HydrophobicContact CD2-CZ 3.56Å; L28-F613 HydrophobicContact CG-CE1 3.93Å; L28-F613 HydrophobicContact CG-CE2 3.74Å; L28-F613 HydrophobicContact CG-CZ 3.36Å; L32-F613 HydrophobicContact CD1-CD2 4.19Å; L32-F613 HydrophobicContact CD1-CE1 4.47Å; L32-F613 HydrophobicContact CD1-CE2 3.25Å; L32-F613 HydrophobicContact CD1-CZ 3.41Å; L32-F613 VanDerWaalsContact CD1-CZ 3.41Å; L32-F613 HydrophobicContact CD2-CZ 4.11Å; L32-F613 HydrophobicContact CG-CE2 3.99Å; L32-F613 HydrophobicContact CG-CZ 3.71Å; L424-F613 HydrophobicContact CB-CB 4.13Å; L424-F613 HydrophobicContact CB-CD1 4.15Å; L424-F613 HydrophobicContact CB-CG 4.37Å; L424-F613 HydrophobicContact CD1-CB 3.95Å; L424-F613 HydrophobicContact CD2-CB 4.17Å; L424-F613 HydrophobicContact CG-CB 4.3Å; I431-F613 HydrophobicContact CB-CD1 4.47Å; I431-F613 HydrophobicContact CB-CE1 4.41Å; I431-F613 WeakPolarHBondContact CD1-O 3.44Å; I431-F613 HydrophobicContact CG1-CD1 3.77Å; I431-F613 HydrophobicContact CG1-CE1 4.15Å; I431-F613 HydrophobicContact CG1-CG 4.24Å; Y454-F613 WeakPolarHBondContact CE1-O 3.25Å; Y454-F613 PolarHBondContact OH-O 3.03Å; T609-F613 HydrophobicContact CG2-CD2 3.78Å; T609-F613 HydrophobicContact CG2-CE2 4.01Å; T609-F613 WeakPolarHBondContact O-CB 3.24Å; T609-F613 WeakPolarHBondContact O-CD2 3.23Å; T609-F613 PolarHBondContact O-N 2.84Å; V610-F613 PolarHBondContact O-N 2.89Å; S611-F613 VanDerWaalsContact C-N 3.3Å; S611-F613 PolarHBondContact O-N 3.26Å
614H92.6Very high92.2Very high0 Ų021.1 Ų21.10%012%0.117CC..Iπ-helixtrans-133.7-73.5-173.7177.8-94000113L424 Y451 Y454 F457 D563 V610 M616 P617 V618L424-H614 HydrophobicContact CD2-CB 3.83Å; Y451-H614 AromaticContact CE2-NE2 3.94Å; Y454-H614 AromaticContact CD1-CD2 3.47Å; Y454-H614 VanDerWaalsContact CD1-CD2 3.47Å; Y454-H614 WeakPolarHBondContact CD1-CD2 3.49Å; Y454-H614 AromaticContact CD2-CD2 3.69Å; Y454-H614 HydrophobicContact CE1-CB 4.01Å; Y454-H614 AromaticContact CE1-CD2 3.59Å; Y454-H614 AromaticContact CE2-CD2 3.83Å; Y454-H614 AromaticContact CG-CD2 3.51Å; Y454-H614 AromaticContact CZ-CD2 3.77Å; F457-H614 AromaticContact CD1-NE2 3.82Å; F457-H614 AromaticContact CD2-NE2 3.94Å; F457-H614 AromaticContact CE1-CE1 3.46Å; F457-H614 VanDerWaalsContact CE1-CE1 3.46Å; F457-H614 WeakPolarHBondContact CE1-CE1 3.13Å; F457-H614 AromaticContact CE1-NE2 3.61Å; F457-H614 AromaticContact CE2-CD2 3.87Å; F457-H614 AromaticContact CE2-CE1 3.75Å; F457-H614 AromaticContact CE2-CG 3.99Å; F457-H614 AromaticContact CE2-ND1 3.9Å; F457-H614 AromaticContact CE2-NE2 3.74Å; F457-H614 AromaticContact CG-NE2 3.98Å; F457-H614 AromaticContact CZ-CE1 3.23Å; F457-H614 WeakPolarHBondContact CZ-CE1 3.25Å; F457-H614 AromaticContact CZ-ND1 3.65Å; F457-H614 AromaticContact CZ-NE2 3.57Å; D563-H614 IonicContact OD2-CE1 3.35Å; D563-H614 IonicContact OD2-ND1 3.3Å; V610-H614 WeakPolarHBondContact O-CB 3.12Å; V610-H614 PolarHBondContact O-N 3.31Å; H614-M616 PolarHBondContact O-N 3.15Å; H614-P617 WeakPolarHBondContact O-CD 3.33Å; H614-V618 WeakPolarHBondContact O-CG1 3.31Å; H614-V618 WeakPolarHBondContact O-CG2 3.35Å; H614-V618 PolarHBondContact O-N 2.9Å
615C94Very high92.1Very high4 Ų421.6 Ų21.63%0.02712%0.122CC..Iπ-helixtrans-59.2-44-164-67.10000113.6H562 D563 S611 V618 S619 T630H562-C615 PolarHBondContact NE2-SG 2.77Å; H562-C615 VanDerWaalsContact NE2-SG 3.44Å; D563-C615 WeakPolarHBondContact OD1-CA 3.4Å; D563-C615 WeakPolarHBondContact OD1-CB 3.19Å; D563-C615 PolarHBondContact OD1-SG 3.2Å; S611-C615 PolarHBondContact O-N 2.98Å; C615-V618 VanDerWaalsContact O-CG2 3.25Å; C615-V618 WeakPolarHBondContact O-CG2 3.26Å; C615-S619 PolarHBondContact O-N 2.79Å; C615-T630 VanDerWaalsContact CB-OG1 3.29Å; C615-T630 WeakPolarHBondContact CB-OG1 3.2Å; C615-T630 PolarHBondContact SG-OG1 3.22Å
616M94.3Very high92.2Very high0 Ų025 Ų250%014%0.143CC..Hα-helixtrans-72.4-50.1175.5173-158.961.600111.7R64 Y65 E68 S611 L612 H614 V618 S619 L620R64-M616 HydrophobicContact CG-CG 4.44Å; R64-M616 HydrophobicContact CG-SD 3.63Å; R64-M616 PolarHBondContact NH1-SD 3.46Å; Y65-M616 HydrophobicContact CD1-CE 3.26Å; Y65-M616 HydrophobicContact CD2-CE 4.14Å; Y65-M616 HydrophobicContact CE1-CE 3.22Å; Y65-M616 HydrophobicContact CE2-CE 4.1Å; Y65-M616 HydrophobicContact CG-CE 3.72Å; E68-M616 HydrophobicContact CB-CE 4.49Å; E68-M616 HydrophobicContact CB-SD 4.42Å; S611-M616 WeakPolarHBondContact O-CB 3.47Å; S611-M616 PolarHBondContact O-N 3.05Å; L612-M616 HydrophobicContact CD1-CE 3.96Å; H614-M616 PolarHBondContact O-N 3.15Å; M616-V618 VanDerWaalsContact C-N 3.33Å; M616-V618 PolarHBondContact O-N 2.8Å; M616-S619 PolarHBondContact O-N 2.7Å; M616-L620 HydrophobicContact CG-CD1 3.46Å; M616-L620 VanDerWaalsContact CG-CD1 3.46Å; M616-L620 HydrophobicContact CG-CG 3.96Å; M616-L620 WeakPolarHBondContact O-CB 3.4Å; M616-L620 WeakPolarHBondContact O-CG 3.05Å; M616-L620 PolarHBondContact O-N 2.85Å; M616-L620 HydrophobicContact SD-CD1 3.87Å
617P92.2Very high92.2Very high0 Ų024.8 Ų24.80%014%0.142CC..Hα-helixtrans-55.2-38.6176.6-27.730.7000115.5Y65 I431 T449 S611 L612 H614 S619 H621Y65-P617 HydrophobicContact CE1-CG 4.15Å; I431-P617 HydrophobicContact CD1-CB 4.25Å; I431-P617 HydrophobicContact CD1-CG 3.75Å; T449-P617 HydrophobicContact CG2-CB 4.28Å; T449-P617 PolarHBondContact OG1-O 2.95Å; S611-P617 VanDerWaalsContact O-CD 3.26Å; S611-P617 WeakPolarHBondContact O-CD 3.44Å; L612-P617 WeakPolarHBondContact O-CD 3.47Å; L612-P617 WeakPolarHBondContact O-CG 3.41Å; H614-P617 WeakPolarHBondContact O-CD 3.33Å; P617-S619 VanDerWaalsContact C-N 3.35Å; P617-H621 WeakPolarHBondContact O-CB 3.24Å; P617-H621 PolarHBondContact O-N 3.45Å
618V89.9Confident92.3Very high9 Ų924.9 Ų24.96%0.05514%0.143CC..Hα-helixtrans-68.2-35.4178.5-640000112Y451 Y454 D563 H614 C615 M616 H621 F622Y451-V618 HydrophobicContact CD2-CG1 4.25Å; Y454-V618 HydrophobicContact CD2-CG1 4.1Å; Y454-V618 HydrophobicContact CE2-CG1 3.45Å; Y454-V618 VanDerWaalsContact CE2-CG1 3.45Å; D563-V618 HydrophobicContact CB-CG2 4.3Å; H614-V618 WeakPolarHBondContact O-CG1 3.31Å; H614-V618 WeakPolarHBondContact O-CG2 3.35Å; H614-V618 PolarHBondContact O-N 2.9Å; C615-V618 VanDerWaalsContact O-CG2 3.25Å; C615-V618 WeakPolarHBondContact O-CG2 3.26Å; M616-V618 VanDerWaalsContact C-N 3.33Å; M616-V618 PolarHBondContact O-N 2.8Å; V618-H621 WeakPolarHBondContact O-CB 3.32Å; V618-F622 WeakPolarHBondContact O-CD2 3.13Å
619S92.7Very high92.3Very high0 Ų023.9 Ų23.90%014%0.139CC..Hα-helixtrans-69.6-51173.9-179.20000111.1D563 Q564 A565 C615 M616 P617 H621 F622 G625 G627D563-S619 WeakPolarHBondContact O-CB 3.18Å; Q564-S619 PolarHBondContact O-OG 3.23Å; A565-S619 WeakPolarHBondContact CA-OG 3.39Å; C615-S619 PolarHBondContact O-N 2.79Å; M616-S619 PolarHBondContact O-N 2.7Å; P617-S619 VanDerWaalsContact C-N 3.35Å; S619-H621 PolarHBondContact O-N 2.69Å; S619-F622 PolarHBondContact O-N 3.48Å; S619-G625 WeakPolarHBondContact O-CA 2.88Å; S619-G627 WeakPolarHBondContact OG-CA 3.35Å; S619-G627 PolarHBondContact OG-N 3.22Å
620L91.7Very high92.4Very high24 Ų2424.1 Ų24.113%0.12614%0.141CC..Hα-helixtrans-70.1-12.6-178-67.6-177.7000113.9R64 Y65 P440 M616 F622 G625R64-L620 HydrophobicContact CG-CD1 3.99Å; Y65-L620 HydrophobicContact CD2-CD1 4.42Å; Y65-L620 HydrophobicContact CE2-CD1 3.58Å; P440-L620 HydrophobicContact CG-CB 3.82Å; P440-L620 VanDerWaalsContact CG-O 3.3Å; P440-L620 WeakPolarHBondContact CG-O 3.09Å; M616-L620 HydrophobicContact CG-CD1 3.46Å; M616-L620 VanDerWaalsContact CG-CD1 3.46Å; M616-L620 HydrophobicContact CG-CG 3.96Å; M616-L620 WeakPolarHBondContact O-CB 3.4Å; M616-L620 WeakPolarHBondContact O-CG 3.05Å; M616-L620 PolarHBondContact O-N 2.85Å; M616-L620 HydrophobicContact SD-CD1 3.87Å; L620-F622 PolarHBondContact O-N 3.37Å; L620-G625 WeakPolarHBondContact CD2-O 3.47Å
621H87Confident92.5Very high36 Ų3624 Ų2417%0.16714%0.14CC..THydrogen-bonded Turntrans-57.9-37.8171.1178.262.8000111.8P617 V618 S619P617-H621 WeakPolarHBondContact O-CB 3.24Å; P617-H621 PolarHBondContact O-N 3.45Å; V618-H621 WeakPolarHBondContact O-CB 3.32Å; S619-H621 PolarHBondContact O-N 2.69Å
622F86.3Confident92.5Very high94 Ų9424.5 Ų24.541%0.41214%0.141SC..SBendtrans-83.8146.7179.2-62.4-86.7000111.2A565 V618 S619 L620 G624 G625A565-F622 HydrophobicContact CB-CB 3.66Å; A565-F622 HydrophobicContact CB-CD2 3.78Å; A565-F622 HydrophobicContact CB-CG 3.92Å; V618-F622 WeakPolarHBondContact O-CD2 3.13Å; S619-F622 PolarHBondContact O-N 3.48Å; L620-F622 PolarHBondContact O-N 3.37Å; F622-G624 PolarHBondContact O-N 3.24Å; F622-G625 PolarHBondContact O-N 2.97Å
623E84.2Confident92.6Very high146 Ų14624.5 Ų24.568%0.68214%0.141SC*.THydrogen-bonded Turntrans-65.3126.7178.9-172163158.900112.1K441 Y566 G625K441-E623 IonicContact NZ-OE2 3.53Å; K441-E623 PolarHBondContact NZ-OE2 3.29Å; Y566-E623 WeakPolarHBondContact CE1-O 3.47Å; Y566-E623 PolarHBondContact OH-O 3.44Å; E623-G625 PolarHBondContact O-N 2.68Å
624G87.8Confident92.9Very high63 Ų6328.4 Ų28.465%0.64916%0.156SC*.THydrogen-bonded Turntrans70.314.2-172.600000113.6F622 T626F622-G624 PolarHBondContact O-N 3.24Å; G624-T626 PolarHBondContact O-N 3.44Å
625G92Very high93.1Very high14 Ų1432.4 Ų32.414%0.14418%0.175CC..  trans-54132.5169.500000110.9A565 S619 L620 F622 E623A565-G625 CarbonylContact O-C 3.48Å; A565-G625 WeakPolarHBondContact O-CA 3.25Å; S619-G625 WeakPolarHBondContact O-CA 2.88Å; L620-G625 WeakPolarHBondContact CD2-O 3.47Å; F622-G625 PolarHBondContact O-N 2.97Å; E623-G625 PolarHBondContact O-N 2.68Å
626T94.5Very high93.3Very high73 Ų7333.2 Ų33.245%0.44818%0.18SC..  trans-74-32.1-173.7-550000111.9A565 P567 G624 L628A565-T626 PolarHBondContact O-N 3.42Å; A565-T626 PolarHBondContact O-OG1 2.88Å; P567-T626 HydrophobicContact CG-CG2 4.38Å; G624-T626 PolarHBondContact O-N 3.44Å; T626-L628 HydrophobicContact CG2-CD2 3.75Å; T626-L628 HydrophobicContact CG2-CG 3.87Å
627G94.7Very high93.5Very high1 Ų133.2 Ų33.21%0.0118%0.18CC..  trans6147.2-178.900000112.7R64 S619R64-G627 PolarHBondContact NE-O 2.71Å; R64-G627 PolarHBondContact NH2-O 3.08Å; S619-G627 WeakPolarHBondContact OG-CA 3.35Å; S619-G627 PolarHBondContact OG-N 3.22Å
628L96.9Very high93.8Very high28 Ų2835.3 Ų35.315%0.14719%0.19CC..  trans-58.8-53.1177.7-70.1178000110.2R64 P567 T626 W632 T636 M640R64-L628 PolarHBondContact NH2-O 2.8Å; P567-L628 HydrophobicContact CB-CD1 3.81Å; P567-L628 HydrophobicContact CG-CD1 3.49Å; P567-L628 VanDerWaalsContact CG-CD1 3.49Å; P567-L628 HydrophobicContact CG-CG 4.09Å; T626-L628 HydrophobicContact CG2-CD2 3.75Å; T626-L628 HydrophobicContact CG2-CG 3.87Å; L628-W632 HydrophobicContact CB-CB 3.89Å; L628-W632 HydrophobicContact CD1-CD2 4.36Å; L628-W632 HydrophobicContact CD1-CE3 3.63Å; L628-W632 HydrophobicContact CD1-CZ3 3.99Å; L628-T636 HydrophobicContact CD2-CG2 4.17Å; L628-M640 HydrophobicContact CD1-CE 4.23Å; L628-M640 HydrophobicContact CD1-SD 3.89Å; L628-M640 HydrophobicContact CD2-SD 4.26Å
629G95.8Very high94.2Very high0 Ų041.2 Ų41.20%021%0.211CC..  trans80.6167.3177.700000112.7H562 S611 M631 W632H562-G629 WeakPolarHBondContact CB-O 3.41Å; H562-G629 PolarHBondContact O-N 2.88Å; S611-G629 VanDerWaalsContact OG-CA 3.29Å; S611-G629 WeakPolarHBondContact OG-CA 3.15Å; G629-M631 PolarHBondContact O-N 2.91Å; G629-M631 VanDerWaalsContact O-N 3.15Å; G629-W632 WeakPolarHBondContact O-CB 3.34Å; G629-W632 PolarHBondContact O-N 3.17Å; G629-W632 VanDerWaalsContact O-N 3.12Å
630T96.3Very high94.4Very high4 Ų442.1 Ų42.13%0.02522%0.215CC..THydrogen-bonded Turntrans-54.4-38.3-171.5-43.40000112.8I589 F607 S611 C615 W632I589-T630 HydrophobicContact CB-CG2 4.18Å; I589-T630 HydrophobicContact CD1-CG2 4.43Å; I589-T630 HydrophobicContact CG1-CG2 3.68Å; I589-T630 HydrophobicContact CG2-CG2 4.14Å; F607-T630 HydrophobicContact CB-CG2 4.13Å; F607-T630 HydrophobicContact CD1-CG2 4.47Å; S611-T630 WeakPolarHBondContact CA-OG1 3.2Å; S611-T630 WeakPolarHBondContact CB-OG1 3.29Å; S611-T630 PolarHBondContact N-OG1 3.32Å; S611-T630 PolarHBondContact OG-N 3.03Å; S611-T630 VanDerWaalsContact OG-N 3.1Å; C615-T630 VanDerWaalsContact CB-OG1 3.29Å; C615-T630 WeakPolarHBondContact CB-OG1 3.2Å; C615-T630 PolarHBondContact SG-OG1 3.22Å; T630-W632 PolarHBondContact O-N 3.35Å
631M96Very high94.8Very high8 Ų841 Ų414%0.03921%0.209CC..THydrogen-bonded Turntrans-97.231.1-177.1-64.9-61.1-70.600113.6I589 D598 F607 Y608 G629 G633I589-M631 HydrophobicContact CG2-SD 4.08Å; D598-M631 HydrophobicContact CB-CE 3.94Å; D598-M631 VanDerWaalsContact CG-CE 3.42Å; D598-M631 WeakPolarHBondContact OD2-CE 3.22Å; F607-M631 HydrophobicContact CB-CG 3.77Å; F607-M631 HydrophobicContact CB-SD 3.37Å; F607-M631 WeakPolarHBondContact CB-SD 3.18Å; F607-M631 HydrophobicContact CD2-SD 4.09Å; F607-M631 HydrophobicContact CG-SD 4.13Å; Y608-M631 HydrophobicContact CD1-CB 3.95Å; Y608-M631 HydrophobicContact CD1-CG 4.04Å; Y608-M631 HydrophobicContact CD2-CB 4.28Å; Y608-M631 HydrophobicContact CD2-CE 4.26Å; Y608-M631 HydrophobicContact CD2-CG 3.72Å; Y608-M631 HydrophobicContact CE1-CB 3.61Å; Y608-M631 HydrophobicContact CE1-CG 4.1Å; Y608-M631 HydrophobicContact CE2-CB 3.93Å; Y608-M631 HydrophobicContact CE2-CE 3.71Å; Y608-M631 HydrophobicContact CE2-CG 3.75Å; Y608-M631 HydrophobicContact CG-CB 4.27Å; Y608-M631 HydrophobicContact CG-CG 3.85Å; G629-M631 PolarHBondContact O-N 2.91Å; G629-M631 VanDerWaalsContact O-N 3.15Å; M631-G633 PolarHBondContact O-N 2.71Å
632W97Very high95.3Very high10 Ų1045 Ų454%0.03823%0.227CC..  trans-57.4-32.6176.772-54.1000113.9I561 H562 D588 S593 L628 G629 T630 T636 A637 M640 F641I561-W632 HydrophobicContact CB-CH2 4.42Å; I561-W632 HydrophobicContact CB-CZ2 4.46Å; I561-W632 HydrophobicContact CG2-CH2 3.68Å; I561-W632 HydrophobicContact CG2-CZ2 4.17Å; I561-W632 HydrophobicContact CG2-CZ3 4.28Å; H562-W632 HydrophobicContact CB-CD2 4.27Å; H562-W632 HydrophobicContact CB-CG 4.01Å; D588-W632 HydrophobicContact CB-CZ2 4.42Å; D588-W632 PolarHBondContact OD1-NE1 3.37Å; S593-W632 PolarHBondContact OG-O 3.17Å; L628-W632 HydrophobicContact CB-CB 3.89Å; L628-W632 HydrophobicContact CD1-CD2 4.36Å; L628-W632 HydrophobicContact CD1-CE3 3.63Å; L628-W632 HydrophobicContact CD1-CZ3 3.99Å; G629-W632 WeakPolarHBondContact O-CB 3.34Å; G629-W632 PolarHBondContact O-N 3.17Å; G629-W632 VanDerWaalsContact O-N 3.12Å; T630-W632 PolarHBondContact O-N 3.35Å; W632-T636 HydrophobicContact CE3-CG2 3.64Å; W632-T636 HydrophobicContact CZ3-CG2 4.28Å; W632-T636 VanDerWaalsContact O-CB 3.25Å; W632-T636 WeakPolarHBondContact O-CB 3.3Å; W632-T636 PolarHBondContact O-OG1 3.17Å; W632-A637 HydrophobicContact CD2-CB 4.4Å; W632-A637 HydrophobicContact CE3-CB 4.29Å; W632-A637 VanDerWaalsContact CH2-CA 3.42Å; W632-A637 HydrophobicContact CH2-CB 3.36Å; W632-A637 HydrophobicContact CZ2-CB 3.45Å; W632-A637 VanDerWaalsContact CZ2-CB 3.45Å; W632-A637 VanDerWaalsContact CZ3-CA 3.4Å; W632-A637 HydrophobicContact CZ3-CB 3.81Å; W632-M640 HydrophobicContact CE3-SD 4.22Å; W632-M640 HydrophobicContact CZ3-SD 3.79Å; W632-F641 HydrophobicContact CH2-CE1 4.03Å; W632-F641 AromaticContact CH2-CZ 3.93Å; W632-F641 HydrophobicContact CH2-CZ 3.93Å; W632-F641 HydrophobicContact CZ2-CZ 4.37Å
633G96.7Very high95.9Very high0 Ų047 Ų470%024%0.237CC..  trans81.8160.116700000116.3G591 S593 M631 Q635 T636 A637G591-G633 CarbonylContact O-C 3.29Å; G591-G633 VanDerWaalsContact O-CA 3.25Å; G591-G633 WeakPolarHBondContact O-CA 3.49Å; S593-G633 VanDerWaalsContact OG-C 3.28Å; S593-G633 VanDerWaalsContact OG-CA 3.26Å; S593-G633 WeakPolarHBondContact OG-CA 3.09Å; S593-G633 PolarHBondContact OG-O 3.41Å; M631-G633 PolarHBondContact O-N 2.71Å; G633-Q635 VanDerWaalsContact C-N 3.31Å; G633-Q635 PolarHBondContact O-N 3.04Å; G633-T636 PolarHBondContact O-N 2.89Å; G633-A637 PolarHBondContact O-N 3.07Å
634R97.3Very high96.6Very high83 Ų8340.7 Ų40.731%0.31321%0.21SC..Hα-helixtrans-56.6-40.6-172.6178.9175.363.7134.6-2.1113.3G591 E592 T636 A637 E638 Y661 Y663G591-R634 PolarHBondContact O-N 3.01Å; E592-R634 IonicContact OE1-CZ 2.93Å; E592-R634 IonicContact OE1-NE 3.93Å; E592-R634 PolarHBondContact OE1-NE 3.39Å; E592-R634 IonicContact OE1-NH2 2.9Å; E592-R634 IonicContact OE2-CZ 2.69Å; E592-R634 IonicContact OE2-NE 3.81Å; E592-R634 PolarHBondContact OE2-NE 2.94Å; E592-R634 VanDerWaalsContact OE2-NE 3.16Å; E592-R634 IonicContact OE2-NH2 3.05Å; E592-R634 PolarHBondContact OE2-NH2 3.18Å; R634-T636 VanDerWaalsContact C-N 3.35Å; R634-T636 PolarHBondContact O-N 3.25Å; R634-A637 WeakPolarHBondContact O-CB 2.8Å; R634-A637 PolarHBondContact O-N 2.79Å; R634-E638 HydrophobicContact CG-CG 4.13Å; R634-E638 WeakPolarHBondContact CG-OE1 3.37Å; R634-E638 WeakPolarHBondContact O-CB 3.27Å; R634-E638 WeakPolarHBondContact O-CG 3.16Å; R634-E638 PolarHBondContact O-N 3.08Å; R634-Y661 HydrophobicContact CB-CD2 4.22Å; R634-Y661 HydrophobicContact CB-CE2 3.96Å; R634-Y661 HydrophobicContact CG-CE2 4.42Å; R634-Y663 WeakPolarHBondContact CA-OH 3.32Å; R634-Y663 HydrophobicContact CG-CE1 4.06Å
635Q97.6Very high97.1Very high83 Ų8339.2 Ų39.239%0.38820%0.195SC..Hα-helixtrans-66.5-42.5-175.7-70.172-11.300109.5E592 G633 R639E592-Q635 VanDerWaalsContact CA-OE1 3.3Å; E592-Q635 PolarHBondContact O-NE2 3.11Å; E592-Q635 VanDerWaalsContact O-NE2 3.08Å; E592-Q635 PolarHBondContact O-OE1 3.15Å; E592-Q635 PolarHBondContact OE2-NE2 2.82Å; G633-Q635 VanDerWaalsContact C-N 3.31Å; G633-Q635 PolarHBondContact O-N 3.04Å; Q635-R639 WeakPolarHBondContact O-CB 3.47Å; Q635-R639 PolarHBondContact O-N 2.87Å; Q635-R639 VanDerWaalsContact O-N 3.15Å
636T97.8Very high97.4Very high22 Ų2238.9 Ų38.914%0.13519%0.189CC..Hα-helixtrans-65.5-45.4172.3-59.40000111S593 L628 W632 G633 R634 R639 M640S593-T636 PolarHBondContact OG-N 2.9Å; S593-T636 PolarHBondContact OG-OG1 2.68Å; L628-T636 HydrophobicContact CD2-CG2 4.17Å; W632-T636 HydrophobicContact CE3-CG2 3.64Å; W632-T636 HydrophobicContact CZ3-CG2 4.28Å; W632-T636 VanDerWaalsContact O-CB 3.25Å; W632-T636 WeakPolarHBondContact O-CB 3.3Å; W632-T636 PolarHBondContact O-OG1 3.17Å; G633-T636 PolarHBondContact O-N 2.89Å; R634-T636 VanDerWaalsContact C-N 3.35Å; R634-T636 PolarHBondContact O-N 3.25Å; T636-R639 PolarHBondContact O-N 3.45Å; T636-M640 HydrophobicContact CG2-CG 4.36Å; T636-M640 HydrophobicContact CG2-SD 3.91Å; T636-M640 WeakPolarHBondContact O-CB 3.21Å; T636-M640 VanDerWaalsContact O-CG 3.3Å; T636-M640 WeakPolarHBondContact O-CG 3.24Å; T636-M640 PolarHBondContact O-N 3.18Å
637A98.3Very high97.6Very high0 Ų039.1 Ų39.10%019%0.185CC..Hα-helixtrans-58.4-54179.200000112.3W632 G633 R634 R639 M640 F641 Y663W632-A637 HydrophobicContact CD2-CB 4.4Å; W632-A637 HydrophobicContact CE3-CB 4.29Å; W632-A637 VanDerWaalsContact CH2-CA 3.42Å; W632-A637 HydrophobicContact CH2-CB 3.36Å; W632-A637 HydrophobicContact CZ2-CB 3.45Å; W632-A637 VanDerWaalsContact CZ2-CB 3.45Å; W632-A637 VanDerWaalsContact CZ3-CA 3.4Å; W632-A637 HydrophobicContact CZ3-CB 3.81Å; G633-A637 PolarHBondContact O-N 3.07Å; R634-A637 WeakPolarHBondContact O-CB 2.8Å; R634-A637 PolarHBondContact O-N 2.79Å; A637-R639 VanDerWaalsContact C-N 3.32Å; A637-R639 PolarHBondContact O-N 2.94Å; A637-M640 PolarHBondContact O-N 3.19Å; A637-F641 HydrophobicContact CB-CE2 3.91Å; A637-F641 HydrophobicContact CB-CZ 4.04Å; A637-F641 VanDerWaalsContact O-CD2 3.27Å; A637-F641 WeakPolarHBondContact O-CD2 3.28Å; A637-F641 WeakPolarHBondContact O-CG 3.37Å; A637-F641 PolarHBondContact O-N 3.08Å; A637-Y663 HydrophobicContact CB-CE1 4.04Å
638E98.4Very high97.7Very high44 Ų4440.9 Ų40.921%0.20619%0.194CC..Hα-helixtrans-60.3-40.6179.7-70.2-172.1-163.600112.3R634 K642 I648 Y663R634-E638 HydrophobicContact CG-CG 4.13Å; R634-E638 WeakPolarHBondContact CG-OE1 3.37Å; R634-E638 WeakPolarHBondContact O-CB 3.27Å; R634-E638 WeakPolarHBondContact O-CG 3.16Å; R634-E638 PolarHBondContact O-N 3.08Å; E638-K642 WeakPolarHBondContact O-CB 3.46Å; E638-K642 VanDerWaalsContact O-CG 3.27Å; E638-K642 WeakPolarHBondContact O-CG 3.49Å; E638-K642 PolarHBondContact O-N 3.39Å; E638-K642 VanDerWaalsContact O-N 3.11Å; E638-K642 IonicContact OE2-NZ 3.22Å; E638-I648 HydrophobicContact CB-CD1 3.64Å; E638-I648 HydrophobicContact CG-CD1 3.67Å; E638-Y663 HydrophobicContact CG-CE1 4.37Å
639R98.4Very high97.7Very high133 Ų13342.9 Ų42.950%0.50221%0.205SC..Hα-helixtrans-60.4-51174.9179.7-178.165-141-7.3110.8Q635 T636 A637 F641 K642 E643Q635-R639 WeakPolarHBondContact O-CB 3.47Å; Q635-R639 PolarHBondContact O-N 2.87Å; Q635-R639 VanDerWaalsContact O-N 3.15Å; T636-R639 PolarHBondContact O-N 3.45Å; A637-R639 VanDerWaalsContact C-N 3.32Å; A637-R639 PolarHBondContact O-N 2.94Å; R639-F641 VanDerWaalsContact C-N 3.34Å; R639-F641 PolarHBondContact O-N 3.28Å; R639-K642 PolarHBondContact O-N 3.39Å; R639-E643 WeakPolarHBondContact CD-OE1 3.29Å; R639-E643 HydrophobicContact CG-CG 4.29Å; R639-E643 VanDerWaalsContact CG-OE1 3.23Å; R639-E643 WeakPolarHBondContact CG-OE1 3.43Å; R639-E643 IonicContact NE-OE1 3.68Å; R639-E643 WeakPolarHBondContact O-CB 3.12Å; R639-E643 WeakPolarHBondContact O-CG 3.4Å; R639-E643 PolarHBondContact O-N 3.13Å
640M98.6Very high97.7Very high18 Ų1849 Ų499%0.08923%0.231CC..Hα-helixtrans-65.3-36.2-177.1-70.8-174.667.400112.8P567 A568 L571 L628 W632 T636 A637 A644P567-M640 HydrophobicContact CB-CE 3.69Å; P567-M640 HydrophobicContact CG-CE 3.74Å; A568-M640 HydrophobicContact CB-CE 4.37Å; L571-M640 HydrophobicContact CD1-CB 3.85Å; L571-M640 HydrophobicContact CD1-CE 4.19Å; L628-M640 HydrophobicContact CD1-CE 4.23Å; L628-M640 HydrophobicContact CD1-SD 3.89Å; L628-M640 HydrophobicContact CD2-SD 4.26Å; W632-M640 HydrophobicContact CE3-SD 4.22Å; W632-M640 HydrophobicContact CZ3-SD 3.79Å; T636-M640 HydrophobicContact CG2-CG 4.36Å; T636-M640 HydrophobicContact CG2-SD 3.91Å; T636-M640 WeakPolarHBondContact O-CB 3.21Å; T636-M640 VanDerWaalsContact O-CG 3.3Å; T636-M640 WeakPolarHBondContact O-CG 3.24Å; T636-M640 PolarHBondContact O-N 3.18Å; A637-M640 PolarHBondContact O-N 3.19Å; M640-A644 WeakPolarHBondContact O-CB 3.25Å; M640-A644 PolarHBondContact O-N 2.89Å
641F98.5Very high97.6Very high0 Ų051 Ų510%024%0.243CC..Hα-helixtrans-65.4-43.6175.2-58.4-24.1000111.5L571 I586 W632 A637 R639 A644 G645 F646 I648 Y663L571-F641 HydrophobicContact CD1-CD1 3.91Å; L571-F641 HydrophobicContact CD1-CE1 4.25Å; L571-F641 HydrophobicContact CD2-CD1 3.77Å; L571-F641 HydrophobicContact CD2-CE1 3.82Å; I586-F641 HydrophobicContact CB-CZ 4.3Å; I586-F641 HydrophobicContact CD1-CD2 4.44Å; I586-F641 HydrophobicContact CD1-CE1 4.27Å; I586-F641 HydrophobicContact CD1-CE2 4.06Å; I586-F641 HydrophobicContact CD1-CZ 3.97Å; I586-F641 HydrophobicContact CG1-CZ 4.2Å; I586-F641 HydrophobicContact CG2-CZ 4.14Å; W632-F641 HydrophobicContact CH2-CE1 4.03Å; W632-F641 AromaticContact CH2-CZ 3.93Å; W632-F641 HydrophobicContact CH2-CZ 3.93Å; W632-F641 HydrophobicContact CZ2-CZ 4.37Å; A637-F641 HydrophobicContact CB-CE2 3.91Å; A637-F641 HydrophobicContact CB-CZ 4.04Å; A637-F641 VanDerWaalsContact O-CD2 3.27Å; A637-F641 WeakPolarHBondContact O-CD2 3.28Å; A637-F641 WeakPolarHBondContact O-CG 3.37Å; A637-F641 PolarHBondContact O-N 3.08Å; R639-F641 VanDerWaalsContact C-N 3.34Å; R639-F641 PolarHBondContact O-N 3.28Å; F641-A644 PolarHBondContact O-N 2.99Å; F641-G645 PolarHBondContact O-N 3.31Å; F641-F646 HydrophobicContact CB-CB 4.5Å; F641-F646 WeakPolarHBondContact O-CB 3.38Å; F641-F646 PolarHBondContact O-N 3.04Å; F641-I648 HydrophobicContact CB-CD1 4.27Å; F641-I648 HydrophobicContact CB-CG1 4.43Å; F641-I648 HydrophobicContact CD2-CD1 4.33Å; F641-Y663 HydrophobicContact CD2-CD1 4.32Å; F641-Y663 HydrophobicContact CD2-CG 4.5Å; F641-Y663 AromaticContact CE2-CD1 3.75Å; F641-Y663 HydrophobicContact CE2-CD1 3.75Å; F641-Y663 HydrophobicContact CE2-CD2 4.15Å; F641-Y663 HydrophobicContact CE2-CE1 4.31Å; F641-Y663 AromaticContact CE2-CG 3.67Å; F641-Y663 HydrophobicContact CE2-CG 3.67Å
642K98.5Very high97.5Very high122 Ų12252 Ų5253%0.5325%0.253SS..Hα-helixtrans-64.1-43.8175.1-70.3169.4-173.2167.20112E638 R639 A644 G645 I648E638-K642 WeakPolarHBondContact O-CB 3.46Å; E638-K642 VanDerWaalsContact O-CG 3.27Å; E638-K642 WeakPolarHBondContact O-CG 3.49Å; E638-K642 PolarHBondContact O-N 3.39Å; E638-K642 VanDerWaalsContact O-N 3.11Å; E638-K642 IonicContact OE2-NZ 3.22Å; R639-K642 PolarHBondContact O-N 3.39Å; K642-A644 PolarHBondContact O-N 3.17Å; K642-G645 WeakPolarHBondContact O-CA 3.31Å; K642-G645 PolarHBondContact O-N 3.06Å; K642-I648 HydrophobicContact CG-CD1 4.26Å; K642-I648 HydrophobicContact CG-CG1 4.5Å
643E98.4Very high97.1Very high135 Ų13554.1 Ų54.163%0.63127%0.267SS*.Hα-helixtrans-62.3-28.3176.2-74.9171.9178.300113R639 G645R639-E643 WeakPolarHBondContact CD-OE1 3.29Å; R639-E643 HydrophobicContact CG-CG 4.29Å; R639-E643 VanDerWaalsContact CG-OE1 3.23Å; R639-E643 WeakPolarHBondContact CG-OE1 3.43Å; R639-E643 IonicContact NE-OE1 3.68Å; R639-E643 WeakPolarHBondContact O-CB 3.12Å; R639-E643 WeakPolarHBondContact O-CG 3.4Å; R639-E643 PolarHBondContact O-N 3.13Å; E643-G645 VanDerWaalsContact C-N 3.28Å
644A98.3Very high96.4Very high13 Ų1355 Ų5511%0.10727%0.271CS..THydrogen-bonded Turntrans-79.9-6.8172.900000113.8L571 F575 M640 F641 K642 F646L571-A644 HydrophobicContact CB-CB 3.61Å; L571-A644 HydrophobicContact CD1-CB 4.49Å; F575-A644 WeakPolarHBondContact CD2-O 3.41Å; F575-A644 WeakPolarHBondContact CG-O 3.33Å; M640-A644 WeakPolarHBondContact O-CB 3.25Å; M640-A644 PolarHBondContact O-N 2.89Å; F641-A644 PolarHBondContact O-N 2.99Å; K642-A644 PolarHBondContact O-N 3.17Å; A644-F646 HydrophobicContact CB-CD2 3.93Å; A644-F646 HydrophobicContact CB-CE2 4.07Å
645G98.3Very high95.1Very high33 Ų3357 Ų5734%0.3429%0.292SS..THydrogen-bonded Turntrans100.42.2177.400000115.2F575 F641 K642 E643 P668F575-G645 VanDerWaalsContact CE2-O 3.26Å; F575-G645 WeakPolarHBondContact CE2-O 3.32Å; F641-G645 PolarHBondContact O-N 3.31Å; K642-G645 WeakPolarHBondContact O-CA 3.31Å; K642-G645 PolarHBondContact O-N 3.06Å; E643-G645 VanDerWaalsContact C-N 3.28Å; G645-P668 WeakPolarHBondContact O-CD 3.44Å
646F98.5Very high93.7Very high6 Ų660.7 Ų60.73%0.02630%0.304CS..  trans-79.3143.5-179.5-65.6-75.4000112.9M574 F575 L578 F584 F641 A644 C665M574-F646 HydrophobicContact CB-CZ 4.04Å; F575-F646 HydrophobicContact CB-CE1 4.33Å; F575-F646 HydrophobicContact CB-CE2 4.03Å; F575-F646 HydrophobicContact CB-CZ 3.76Å; F575-F646 HydrophobicContact CD2-CD1 4.05Å; F575-F646 HydrophobicContact CD2-CD2 4.46Å; F575-F646 AromaticContact CD2-CE1 3.95Å; F575-F646 HydrophobicContact CD2-CE1 3.95Å; F575-F646 HydrophobicContact CD2-CE2 4.36Å; F575-F646 HydrophobicContact CD2-CG 4.31Å; F575-F646 HydrophobicContact CD2-CZ 4.12Å; F575-F646 HydrophobicContact CG-CZ 4.46Å; L578-F646 HydrophobicContact CD2-CE1 3.87Å; F584-F646 HydrophobicContact CB-CE1 4.15Å; F584-F646 AromaticContact CD1-CE1 3.96Å; F584-F646 HydrophobicContact CD1-CE1 3.96Å; F584-F646 AromaticContact CD1-CE2 3.93Å; F584-F646 HydrophobicContact CD1-CE2 3.93Å; F584-F646 AromaticContact CD1-CZ 3.6Å; F584-F646 HydrophobicContact CD1-CZ 3.6Å; F584-F646 HydrophobicContact CE1-CE2 4.28Å; F584-F646 HydrophobicContact CE1-CZ 4.23Å; F584-F646 HydrophobicContact CG-CZ 4.5Å; F641-F646 HydrophobicContact CB-CB 4.5Å; F641-F646 WeakPolarHBondContact O-CB 3.38Å; F641-F646 PolarHBondContact O-N 3.04Å; A644-F646 HydrophobicContact CB-CD2 3.93Å; A644-F646 HydrophobicContact CB-CE2 4.07Å; F646-C665 HydrophobicContact CB-CB 4.03Å; F646-C665 HydrophobicContact CD1-CB 4.33Å; F646-C665 HydrophobicContact CG-CB 4.32Å
647E98.4Very high92.6Very high78 Ų7860.4 Ų60.436%0.36430%0.302SS..EExtended strand (participates in β ladder)trans-88.8125.8165-176.9-168.6175.800109.4L649 C665 R666E647-L649 HydrophobicContact CG-CD2 4.13Å; E647-L649 PolarHBondContact O-N 3.23Å; E647-C665 CarbonylContact O-C 3.27Å; E647-C665 WeakPolarHBondContact O-CA 3.33Å; E647-R666 VanDerWaalsContact CD-NH2 3.25Å; E647-R666 PolarHBondContact N-O 3.43Å; E647-R666 PolarHBondContact O-N 3.17Å; E647-R666 IonicContact OE1-NH2 3.64Å; E647-R666 PolarHBondContact OE1-NH2 2.92Å; E647-R666 IonicContact OE2-CZ 3.59Å; E647-R666 IonicContact OE2-NE 3.32Å; E647-R666 PolarHBondContact OE2-NE 3.33Å; E647-R666 IonicContact OE2-NH2 3.99Å; E647-R666 PolarHBondContact OE2-NH2 2.95Å
648I97.8Very high91.7Very high38 Ų3864.6 Ų64.620%0.19533%0.329CS..EExtended strand (participates in β ladder)trans-87.4110177.9-52.9-177.5000108.6E638 F641 K642 V651E638-I648 HydrophobicContact CB-CD1 3.64Å; E638-I648 HydrophobicContact CG-CD1 3.67Å; F641-I648 HydrophobicContact CB-CD1 4.27Å; F641-I648 HydrophobicContact CB-CG1 4.43Å; F641-I648 HydrophobicContact CD2-CD1 4.33Å; K642-I648 HydrophobicContact CG-CD1 4.26Å; K642-I648 HydrophobicContact CG-CG1 4.5Å; I648-V651 HydrophobicContact CG2-CG2 3.7Å
649L96.5Very high90.9Very high71 Ų7163.6 Ų63.637%0.37233%0.328SS..EExtended strand (participates in β ladder)trans-82-37.3-179.4-58.6-176.9000112.1L583 E647 L664 R666L583-L649 HydrophobicContact CD2-CD1 3.83Å; E647-L649 HydrophobicContact CG-CD2 4.13Å; E647-L649 PolarHBondContact O-N 3.23Å; L649-L664 WeakPolarHBondContact CB-O 3.45Å; L649-L664 PolarHBondContact N-O 2.72Å; L649-R666 HydrophobicContact CD1-CB 3.85Å; L649-R666 HydrophobicContact CD2-CB 4.21Å; L649-R666 HydrophobicContact CG-CB 3.99Å
650K95.5Very high90.5Very high129 Ų12957.3 Ų57.356%0.56131%0.305SS*.EExtended strand (participates in β ladder)trans-157.1143.1-176.9-173.2173.8179.2176.90111.2A652 L664K650-A652 HydrophobicContact CG-CB 4.46Å; K650-L664 HydrophobicContact CB-CB 4.32Å; K650-L664 PolarHBondContact N-O 3.11Å; K650-L664 PolarHBondContact O-N 3.24Å
651V95.7Very high90.2Very high44 Ų4457.7 Ų57.727%0.26731%0.305SS..EExtended strand (participates in β ladder)trans-124.6125.7163.8-172.60000107.5I648 Y661 H662 Y663I648-V651 HydrophobicContact CG2-CG2 3.7Å; V651-Y661 HydrophobicContact CG1-CD1 4.12Å; V651-Y661 HydrophobicContact CG1-CG 4.19Å; V651-H662 WeakPolarHBondContact CA-O 3.24Å; V651-Y663 HydrophobicContact CB-CD1 4.31Å; V651-Y663 HydrophobicContact CG1-CD1 3.76Å; V651-Y663 HydrophobicContact CG1-CE1 3.66Å; V651-Y663 HydrophobicContact CG1-CG 4.47Å; V651-Y663 HydrophobicContact CG2-CD1 3.65Å; V651-Y663 HydrophobicContact CG2-CE1 4.12Å
652A92.6Very high90Very high29 Ų2959 Ų5924%0.2431%0.311CS..EExtended strand (participates in β ladder)trans-142.9146-178.900000111.8K650 Y661 H662K650-A652 HydrophobicContact CG-CB 4.46Å; A652-Y661 CarbonylContact O-C 3.42Å; A652-Y661 WeakPolarHBondContact O-CA 3.42Å; A652-H662 PolarHBondContact N-O 3.01Å; A652-H662 PolarHBondContact O-N 3.31Å
653T89Confident89.8Confident55 Ų5553.2 Ų53.234%0.33729%0.286SS..EExtended strand (participates in β ladder)trans-68.7134.2166.7-61.30000109.3K590 P658 Y661K590-T653 HydrophobicContact CD-CG2 4.2Å; K590-T653 WeakPolarHBondContact CE-OG1 3.4Å; K590-T653 PolarHBondContact NZ-OG1 3.21Å; T653-P658 HydrophobicContact CG2-CB 4.15Å; T653-Y661 WeakPolarHBondContact OG1-CE1 2.99Å
654M81.4Confident89.7Confident19 Ų1948 Ų489%0.09426%0.262CS..  trans-72.7132.9176.6-69.7-172.56400111L473 V587 N657 P658 N660 H662L473-M654 HydrophobicContact CD1-CE 4.03Å; L473-M654 HydrophobicContact CD2-CE 4.24Å; V587-M654 HydrophobicContact CB-SD 4.22Å; V587-M654 HydrophobicContact CG1-SD 3.41Å; V587-M654 WeakPolarHBondContact CG1-SD 3.35Å; V587-M654 HydrophobicContact CG2-SD 3.71Å; M654-N657 HydrophobicContact CB-CB 4.29Å; M654-N657 WeakPolarHBondContact CB-O 3.19Å; M654-N657 CarbonylContact O-C 3.59Å; M654-N657 VanDerWaalsContact O-C 3.27Å; M654-N657 PolarHBondContact O-N 2.91Å; M654-P658 VanDerWaalsContact O-CA 3.31Å; M654-P658 WeakPolarHBondContact O-CA 3.32Å; M654-N660 PolarHBondContact N-O 3.28Å; M654-N660 VanDerWaalsContact N-O 3.13Å; M654-N660 HydrophobicContact SD-CB 4.37Å; M654-H662 HydrophobicContact CG-CB 3.9Å
655V71.4Confident89.6Confident125 Ų12547.3 Ų47.376%0.75826%0.257SS*.SBendtrans-65.3-46.3-178.9178.70000111.5N657V655-N657 VanDerWaalsContact C-N 3.34Å
656Y67.1Low89.6Confident161 Ų16150 Ų5063%0.63126%0.257SS*.SBendtrans-85.8-5-178.4-56.6-71.3000113.9
657N75.2Confident89.6Confident16 Ų1650.3 Ų50.39%0.08626%0.258CS..  trans-14873.4176.5-173.66.4000110M654 V655 A659 N660M654-N657 HydrophobicContact CB-CB 4.29Å; M654-N657 WeakPolarHBondContact CB-O 3.19Å; M654-N657 CarbonylContact O-C 3.59Å; M654-N657 VanDerWaalsContact O-C 3.27Å; M654-N657 PolarHBondContact O-N 2.91Å; V655-N657 VanDerWaalsContact C-N 3.34Å; N657-A659 PolarHBondContact O-N 2.98Å; N657-N660 VanDerWaalsContact CG-OD1 3.25Å; N657-N660 PolarHBondContact ND2-OD1 3.2Å; N657-N660 PolarHBondContact O-N 3.16Å; N657-N660 PolarHBondContact OD1-OD1 3.36Å
658P78.7Confident89.5Confident87 Ų8749.7 Ų49.757%0.56526%0.261SS*.THydrogen-bonded Turntrans-65.7-8.7-172.426.9-35.5000114.1K590 T653 M654 N660K590-P658 WeakPolarHBondContact CD-O 3.32Å; T653-P658 HydrophobicContact CG2-CB 4.15Å; M654-P658 VanDerWaalsContact O-CA 3.31Å; M654-P658 WeakPolarHBondContact O-CA 3.32Å; P658-N660 PolarHBondContact O-N 3.21Å
659A82.5Confident89.1Confident24 Ų2455.9 Ų55.920%0.19830%0.3CS..THydrogen-bonded Turntrans-72.3-9.5171.400000113.5K590 F607 N657K590-A659 WeakPolarHBondContact CB-O 3.48Å; K590-A659 PolarHBondContact N-O 2.92Å; F607-A659 HydrophobicContact CE2-CB 4.42Å; F607-A659 HydrophobicContact CZ-CB 3.76Å; N657-A659 PolarHBondContact O-N 2.98Å
660N89.5Confident88.8Confident1 Ų155.1 Ų55.11%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-122.4147.1-177-6879.7000113.1D559 V587 D588 M654 N657 P658D559-N660 VanDerWaalsContact CG-ND2 3.35Å; D559-N660 PolarHBondContact OD1-ND2 3.49Å; D559-N660 PolarHBondContact OD2-ND2 2.79Å; D559-N660 VanDerWaalsContact OD2-ND2 3.08Å; V587-N660 HydrophobicContact CG1-CB 3.71Å; D588-N660 CarbonylContact O-C 3.59Å; D588-N660 VanDerWaalsContact O-CA 3.22Å; D588-N660 WeakPolarHBondContact O-CA 3.42Å; D588-N660 WeakPolarHBondContact O-CB 3.14Å; D588-N660 PolarHBondContact O-ND2 3.36Å; M654-N660 PolarHBondContact N-O 3.28Å; M654-N660 VanDerWaalsContact N-O 3.13Å; M654-N660 HydrophobicContact SD-CB 4.37Å; N657-N660 VanDerWaalsContact CG-OD1 3.25Å; N657-N660 PolarHBondContact ND2-OD1 3.2Å; N657-N660 PolarHBondContact O-N 3.16Å; N657-N660 PolarHBondContact OD1-OD1 3.36Å; P658-N660 PolarHBondContact O-N 3.21Å
661Y93.1Very high88.4Confident25 Ų2551.2 Ų51.210%0.09828%0.283CS..EExtended strand (participates in β ladder)trans-89.1139.8159.4-76.9-49.9000110.2V587 D588 K590 E592 R634 V651 A652 T653 Y663V587-Y661 WeakPolarHBondContact CA-O 3.46Å; D588-Y661 PolarHBondContact N-O 2.9Å; D588-Y661 PolarHBondContact O-N 3.36Å; K590-Y661 HydrophobicContact CB-CD2 4.2Å; K590-Y661 HydrophobicContact CB-CE2 4.29Å; K590-Y661 HydrophobicContact CB-CG 4.47Å; K590-Y661 HydrophobicContact CD-CE1 4.11Å; K590-Y661 WeakPolarHBondContact CE-OH 3.16Å; K590-Y661 HydrophobicContact CG-CD1 4.27Å; K590-Y661 HydrophobicContact CG-CD2 3.93Å; K590-Y661 HydrophobicContact CG-CE1 3.91Å; K590-Y661 HydrophobicContact CG-CE2 3.57Å; K590-Y661 HydrophobicContact CG-CG 4.26Å; E592-Y661 VanDerWaalsContact OE1-CE2 3.32Å; E592-Y661 WeakPolarHBondContact OE1-CE2 3.43Å; E592-Y661 VanDerWaalsContact OE1-CZ 3.27Å; E592-Y661 PolarHBondContact OE1-OH 3.24Å; R634-Y661 HydrophobicContact CB-CD2 4.22Å; R634-Y661 HydrophobicContact CB-CE2 3.96Å; R634-Y661 HydrophobicContact CG-CE2 4.42Å; V651-Y661 HydrophobicContact CG1-CD1 4.12Å; V651-Y661 HydrophobicContact CG1-CG 4.19Å; A652-Y661 CarbonylContact O-C 3.42Å; A652-Y661 WeakPolarHBondContact O-CA 3.42Å; T653-Y661 WeakPolarHBondContact OG1-CE1 2.99Å; Y661-Y663 VanDerWaalsContact CB-CE2 3.44Å; Y661-Y663 WeakPolarHBondContact CD2-OH 3.18Å; Y661-Y663 HydrophobicContact CG-CE2 4.49Å
662H93.1Very high88Confident29 Ų2951.6 Ų51.613%0.13428%0.284CS..EExtended strand (participates in β ladder)trans-102.2115163.6172.1-146.4000108.9S585 I586 V587 V651 A652 M654S585-H662 PolarHBondContact OG-CD2 3.31Å; S585-H662 PolarHBondContact OG-NE2 3.2Å; I586-H662 CarbonylContact O-C 3.54Å; I586-H662 WeakPolarHBondContact O-CA 2.99Å; V587-H662 HydrophobicContact CG2-CB 4.46Å; V651-H662 WeakPolarHBondContact CA-O 3.24Å; A652-H662 PolarHBondContact N-O 3.01Å; A652-H662 PolarHBondContact O-N 3.31Å; M654-H662 HydrophobicContact CG-CB 3.9Å
663Y95.4Very high87.8Confident0 Ų052.9 Ų52.90%029%0.287CS..EExtended strand (participates in β ladder)trans-97.7117.6172.5-52.5-99000108.3I586 D588 R634 A637 E638 F641 V651 Y661I586-Y663 HydrophobicContact CB-CD2 4.44Å; I586-Y663 PolarHBondContact N-O 3.34Å; I586-Y663 PolarHBondContact O-N 3.23Å; D588-Y663 HydrophobicContact CB-CE2 4.3Å; R634-Y663 WeakPolarHBondContact CA-OH 3.32Å; R634-Y663 HydrophobicContact CG-CE1 4.06Å; A637-Y663 HydrophobicContact CB-CE1 4.04Å; E638-Y663 HydrophobicContact CG-CE1 4.37Å; F641-Y663 HydrophobicContact CD2-CD1 4.32Å; F641-Y663 HydrophobicContact CD2-CG 4.5Å; F641-Y663 AromaticContact CE2-CD1 3.75Å; F641-Y663 HydrophobicContact CE2-CD1 3.75Å; F641-Y663 HydrophobicContact CE2-CD2 4.15Å; F641-Y663 HydrophobicContact CE2-CE1 4.31Å; F641-Y663 AromaticContact CE2-CG 3.67Å; F641-Y663 HydrophobicContact CE2-CG 3.67Å; V651-Y663 HydrophobicContact CB-CD1 4.31Å; V651-Y663 HydrophobicContact CG1-CD1 3.76Å; V651-Y663 HydrophobicContact CG1-CE1 3.66Å; V651-Y663 HydrophobicContact CG1-CG 4.47Å; V651-Y663 HydrophobicContact CG2-CD1 3.65Å; V651-Y663 HydrophobicContact CG2-CE1 4.12Å; Y661-Y663 VanDerWaalsContact CB-CE2 3.44Å; Y661-Y663 WeakPolarHBondContact CD2-OH 3.18Å; Y661-Y663 HydrophobicContact CG-CE2 4.49Å
664L95.6Very high87.7Confident24 Ų2452.8 Ų52.813%0.12628%0.283CS..EExtended strand (participates in β ladder)trans-101.7113170.8-176.165000108.7L583 L649 K650L583-L664 HydrophobicContact CB-CD1 4.34Å; L649-L664 WeakPolarHBondContact CB-O 3.45Å; L649-L664 PolarHBondContact N-O 2.72Å; K650-L664 HydrophobicContact CB-CB 4.32Å; K650-L664 PolarHBondContact N-O 3.11Å; K650-L664 PolarHBondContact O-N 3.24Å
665C97.3Very high88.1Confident0 Ų055.1 Ų55.10%030%0.296CS..EExtended strand (participates in β ladder)trans-112.4159.5-179.3-61.20000111L583 F584 I586 F646 E647L583-C665 CarbonylContact C-O 3.5Å; L583-C665 WeakPolarHBondContact CA-O 3.37Å; F584-C665 HydrophobicContact CB-CB 4.25Å; F584-C665 PolarHBondContact N-O 2.96Å; F584-C665 PolarHBondContact O-N 3.41Å; I586-C665 HydrophobicContact CD1-CB 4.38Å; F646-C665 HydrophobicContact CB-CB 4.03Å; F646-C665 HydrophobicContact CD1-CB 4.33Å; F646-C665 HydrophobicContact CG-CB 4.32Å; E647-C665 CarbonylContact O-C 3.27Å; E647-C665 WeakPolarHBondContact O-CA 3.33Å
666R97.6Very high89.3Confident88 Ų8850.1 Ų50.133%0.33226%0.263SS..EExtended strand (participates in β ladder)trans-132.1143.4176.3177171.566.8-178.5-1.3110.4G582 L583 E647 L649G582-R666 WeakPolarHBondContact O-CA 3.48Å; L583-R666 HydrophobicContact CD2-CB 4.06Å; L583-R666 HydrophobicContact CD2-CG 4.37Å; E647-R666 VanDerWaalsContact CD-NH2 3.25Å; E647-R666 PolarHBondContact N-O 3.43Å; E647-R666 PolarHBondContact O-N 3.17Å; E647-R666 IonicContact OE1-NH2 3.64Å; E647-R666 PolarHBondContact OE1-NH2 2.92Å; E647-R666 IonicContact OE2-CZ 3.59Å; E647-R666 IonicContact OE2-NE 3.32Å; E647-R666 PolarHBondContact OE2-NE 3.33Å; E647-R666 IonicContact OE2-NH2 3.99Å; E647-R666 PolarHBondContact OE2-NH2 2.95Å; L649-R666 HydrophobicContact CD1-CB 3.85Å; L649-R666 HydrophobicContact CD2-CB 4.21Å; L649-R666 HydrophobicContact CG-CB 3.99Å
667K98.2Very high91Very high14 Ų1441.5 Ų41.56%0.06124%0.235CC..  trans-81.3123162.9173.3170.1172.6-173.80108.6E550 F575 L578 G581 G582E550-K667 IonicContact OE1-NZ 2.95Å; E550-K667 PolarHBondContact OE1-NZ 3.07Å; F575-K667 HydrophobicContact CD2-CB 4.5Å; F575-K667 HydrophobicContact CD2-CD 4.4Å; F575-K667 HydrophobicContact CD2-CG 4.26Å; F575-K667 HydrophobicContact CE1-CD 4.32Å; F575-K667 HydrophobicContact CE2-CB 4.19Å; F575-K667 HydrophobicContact CE2-CD 4.16Å; F575-K667 HydrophobicContact CE2-CG 3.69Å; F575-K667 HydrophobicContact CZ-CD 4.12Å; F575-K667 HydrophobicContact CZ-CG 3.86Å; F575-K667 WeakPolarHBondContact O-CD 3.4Å; F575-K667 PolarHBondContact O-NZ 3.43Å; L578-K667 HydrophobicContact CB-CD 4.36Å; L578-K667 HydrophobicContact CD2-CB 3.86Å; L578-K667 HydrophobicContact CG-CB 4.34Å; L578-K667 VanDerWaalsContact O-CD 3.25Å; L578-K667 WeakPolarHBondContact O-CD 3.37Å; L578-K667 PolarHBondContact O-NZ 2.71Å; G581-K667 VanDerWaalsContact CA-O 3.28Å; G581-K667 WeakPolarHBondContact CA-O 3.42Å; G581-K667 PolarHBondContact N-O 3.35Å; G582-K667 PolarHBondContact O-N 2.81Å
668P96.6Very high92.3Very high64 Ų6443.7 Ų43.742%0.41625%0.247SC..  trans-53.1149.1176-26.435.6000112.1G645G645-P668 WeakPolarHBondContact O-CD 3.44Å
669T90.1Very high93.5Very high168 Ų16839.7 Ų39.7100%1.03122%0.218SC*.  trans-74.70-179.6520000113

Retrieved 669 of 669 residues in 433.1 ms (Link to these results)

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