A0A077Z0P3_TRITR Loading...

Dynamin N and EF-hand 4 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z0P3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 550 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
1M38.4Very low34.5Very low254 Ų254148.2 Ų148.2100%1.25187%0.87SS**  0127.30-74.9174.5179.900107.5
2G39.7Very low34.3Very low85 Ų85150.9 Ų150.988%0.87686%0.863SS**  trans102.258.9175.600000116.4
3A30.9Very low34.1Very low106 Ų106148.8 Ų148.888%0.87685%0.847SS**  trans-82.6119163.300000109.2
4A38.6Very low33.7Very low99 Ų99148.5 Ų148.582%0.81884%0.841SS**  trans-116.210117000000109.1S6A4-S6 PolarHBondContact O-N 3.24Å
5N33.7Very low34.4Very low166 Ų166147.6 Ų147.689%0.88883%0.825SS**  trans-67.7107.3167.5-82.1-32.2000109.6
6S35.7Very low35.2Very low109 Ų109150.6 Ų150.676%0.76283%0.83SS**  trans-99.7108.4157.951.30000108.8A4 E8A4-S6 PolarHBondContact O-N 3.24Å; S6-E8 PolarHBondContact O-N 3.1Å
7K34.9Very low36.4Very low197 Ų197145.8 Ų145.886%0.85780%0.803SS**  trans-65.1113.9170.3-74.3176.9174.5176.90108.4T9K7-T9 PolarHBondContact O-N 2.96Å; K7-T9 VanDerWaalsContact O-N 3.11Å
8E33.7Very low37.7Very low180 Ų180141.8 Ų141.884%0.84178%0.78SS**  trans-66.1102.9166.3-77.6-177.315500109.8S6 K10S6-E8 PolarHBondContact O-N 3.1Å; E8-K10 PolarHBondContact O-N 3.02Å
9T30.4Very low38.7Very low136 Ų136135.6 Ų135.683%0.83475%0.747SS**  trans-69.491.1167.6-37.70000108.5K7 C11K7-T9 PolarHBondContact O-N 2.96Å; K7-T9 VanDerWaalsContact O-N 3.11Å; T9-C11 PolarHBondContact O-N 3Å
10K33.8Very low39.8Very low184 Ų184132.4 Ų132.480%0.873%0.731SS**  trans-62.8102.6165.3-88.6-178.8176.1175.30108.8E8 K12E8-K10 PolarHBondContact O-N 3.02Å; K10-K12 VanDerWaalsContact C-N 3.35Å; K10-K12 PolarHBondContact O-N 3.11Å
11C30Very low41.1Very low114 Ų114134.5 Ų134.577%0.7773%0.733SS**  trans-66.393.9167.3-145.10000108.3T9 L13T9-C11 PolarHBondContact O-N 3Å; C11-L13 PolarHBondContact O-N 3.24Å
12K31.4Very low42.8Very low181 Ų181124.6 Ų124.679%0.78769%0.685SS**  trans-7295.7160.7-80.3-177.2174.4-177.30106.8K10 D14K10-K12 VanDerWaalsContact C-N 3.35Å; K10-K12 PolarHBondContact O-N 3.11Å; K12-D14 VanDerWaalsContact C-N 3.29Å; K12-D14 PolarHBondContact O-N 3.32Å; K12-D14 VanDerWaalsContact O-N 3.1Å
13L32Very low45Very low123 Ų123124.6 Ų124.664%0.64466%0.664SS**  trans-74.591.9160.8-86.3153000107.2C11 F15C11-L13 PolarHBondContact O-N 3.24Å; L13-F15 HydrophobicContact CB-CD2 3.82Å; L13-F15 HydrophobicContact CB-CE2 3.82Å; L13-F15 HydrophobicContact CD1-CE2 4.07Å; L13-F15 HydrophobicContact CD2-CD2 4.29Å; L13-F15 HydrophobicContact CD2-CE2 3.61Å; L13-F15 HydrophobicContact CD2-CZ 3.79Å; L13-F15 HydrophobicContact CG-CE2 4.03Å; L13-F15 PolarHBondContact O-N 3.33Å
14D29.1Very low47.5Very low145 Ų145120.3 Ų120.378%0.77563%0.627SS**  trans-6484.6161.1-83.1-27.9000108.2K12 Q16K12-D14 VanDerWaalsContact C-N 3.29Å; K12-D14 PolarHBondContact O-N 3.32Å; K12-D14 VanDerWaalsContact O-N 3.1Å; D14-Q16 PolarHBondContact O-N 3.49Å
15F43.3Very low49.9Very low135 Ų135116.7 Ų116.759%0.59259%0.594SS**  trans-84.588.9165.8-80.7-65.2000109.3L13 I17L13-F15 HydrophobicContact CB-CD2 3.82Å; L13-F15 HydrophobicContact CB-CE2 3.82Å; L13-F15 HydrophobicContact CD1-CE2 4.07Å; L13-F15 HydrophobicContact CD2-CD2 4.29Å; L13-F15 HydrophobicContact CD2-CE2 3.61Å; L13-F15 HydrophobicContact CD2-CZ 3.79Å; L13-F15 HydrophobicContact CG-CE2 4.03Å; L13-F15 PolarHBondContact O-N 3.33Å; F15-I17 HydrophobicContact CB-CD1 4.13Å; F15-I17 HydrophobicContact CB-CG1 4.09Å; F15-I17 HydrophobicContact CD1-CD1 3.3Å; F15-I17 HydrophobicContact CD1-CG1 3.66Å; F15-I17 HydrophobicContact CE1-CD1 3.83Å; F15-I17 HydrophobicContact CG-CD1 3.88Å; F15-I17 HydrophobicContact CG-CG1 4.24Å; F15-I17 PolarHBondContact O-N 2.76Å
16Q48Very low52.4Low195 Ų195111.7 Ų111.791%0.91157%0.567SS**  trans-68.252.4152.4-72.7-175.7-18.900110.3D14D14-Q16 PolarHBondContact O-N 3.49Å
17I54.7Low54.9Low70 Ų70106.5 Ų106.536%0.35953%0.531SS..  trans-88.3112.8168.2-57.8168.9000106.5F15 P19 M22F15-I17 HydrophobicContact CB-CD1 4.13Å; F15-I17 HydrophobicContact CB-CG1 4.09Å; F15-I17 HydrophobicContact CD1-CD1 3.3Å; F15-I17 HydrophobicContact CD1-CG1 3.66Å; F15-I17 HydrophobicContact CE1-CD1 3.83Å; F15-I17 HydrophobicContact CG-CD1 3.88Å; F15-I17 HydrophobicContact CG-CG1 4.24Å; F15-I17 PolarHBondContact O-N 2.76Å; I17-P19 WeakPolarHBondContact O-CD 3.16Å; I17-P19 WeakPolarHBondContact O-CG 3.34Å; I17-P19 VanDerWaalsContact O-N 3.11Å; I17-M22 HydrophobicContact CB-CE 4.12Å; I17-M22 HydrophobicContact CD1-CE 3.92Å; I17-M22 HydrophobicContact CG2-CE 3.38Å; I17-M22 HydrophobicContact CG2-CG 4.27Å; I17-M22 HydrophobicContact CG2-SD 3.95Å
18D60.9Low57.5Low74 Ų7497.3 Ų97.340%0.39649%0.492SS..  trans-61.3107.2172-175.8-7.4000108.9T20 K21D18-T20 PolarHBondContact O-N 2.89Å; D18-T20 WeakPolarHBondContact OD1-CB 3.33Å; D18-T20 WeakPolarHBondContact OD1-CG2 3.48Å; D18-T20 PolarHBondContact OD1-N 3.34Å; D18-T20 VanDerWaalsContact OD1-N 3.15Å; D18-T20 PolarHBondContact OD1-OG1 3.5Å; D18-T20 PolarHBondContact OD2-OG1 3.48Å; D18-T20 VanDerWaalsContact OD2-OG1 3.13Å; D18-K21 HydrophobicContact CB-CD 4.29Å; D18-K21 HydrophobicContact CB-CG 4.28Å; D18-K21 PolarHBondContact O-N 3.48Å
19P57.2Low60.2Low24 Ų2491.7 Ų91.716%0.15646%0.463CS..G310 helixtrans-65.3-16.2-173.2-23.139000112I17 K21 M22 Y31 L402I17-P19 WeakPolarHBondContact O-CD 3.16Å; I17-P19 WeakPolarHBondContact O-CG 3.34Å; I17-P19 VanDerWaalsContact O-N 3.11Å; P19-K21 PolarHBondContact O-N 3.31Å; P19-M22 PolarHBondContact O-N 2.86Å; P19-Y31 HydrophobicContact CB-CE2 3.53Å; P19-Y31 WeakPolarHBondContact CB-OH 3.44Å; P19-Y31 HydrophobicContact CG-CE2 3.97Å; P19-Y31 VanDerWaalsContact CG-OH 3.27Å; P19-Y31 WeakPolarHBondContact CG-OH 3.33Å; P19-L402 WeakPolarHBondContact O-CD1 2.92Å
20T58.9Low63.1Low71 Ų7188 Ų8844%0.43644%0.437SS..G310 helixtrans-70-13.4174.868.40000113.5D18D18-T20 PolarHBondContact O-N 2.89Å; D18-T20 WeakPolarHBondContact OD1-CB 3.33Å; D18-T20 WeakPolarHBondContact OD1-CG2 3.48Å; D18-T20 PolarHBondContact OD1-N 3.34Å; D18-T20 VanDerWaalsContact OD1-N 3.15Å; D18-T20 PolarHBondContact OD1-OG1 3.5Å; D18-T20 PolarHBondContact OD2-OG1 3.48Å; D18-T20 VanDerWaalsContact OD2-OG1 3.13Å
21K68.2Low65.9Low177 Ų17779.7 Ų79.777%0.7740%0.401SS*.G310 helixtrans-93.7-5.7174.8-61.2-176.1-177.7178.60113.5D18 P19D18-K21 HydrophobicContact CB-CD 4.29Å; D18-K21 HydrophobicContact CB-CG 4.28Å; D18-K21 PolarHBondContact O-N 3.48Å; P19-K21 PolarHBondContact O-N 3.31Å
22M74.9Confident68.9Low46 Ų4674.3 Ų74.323%0.22737%0.365CS..SBendtrans-91.4155.1178.4-71.3172.115200110.5I17 P19 D26 A27 L30I17-M22 HydrophobicContact CB-CE 4.12Å; I17-M22 HydrophobicContact CD1-CE 3.92Å; I17-M22 HydrophobicContact CG2-CE 3.38Å; I17-M22 HydrophobicContact CG2-CG 4.27Å; I17-M22 HydrophobicContact CG2-SD 3.95Å; P19-M22 PolarHBondContact O-N 2.86Å; M22-D26 HydrophobicContact CB-CB 4.45Å; M22-A27 HydrophobicContact CB-CB 4.09Å; M22-L30 HydrophobicContact CE-CD2 4.11Å; M22-L30 HydrophobicContact SD-CD2 3.99Å
23N83.9Confident71.8Confident85 Ų8571.8 Ų71.846%0.45535%0.35SS..  trans-68.4162.3165.36847.6000109.7V25 D26 A27N23-V25 PolarHBondContact O-N 3.12Å; N23-V25 WeakPolarHBondContact OD1-CA 3.48Å; N23-V25 WeakPolarHBondContact OD1-CB 3.44Å; N23-V25 PolarHBondContact OD1-N 2.96Å; N23-D26 PolarHBondContact ND2-OD2 3.5Å; N23-D26 PolarHBondContact O-N 3.01Å; N23-D26 PolarHBondContact OD1-N 2.61Å; N23-D26 PolarHBondContact OD1-OD2 3.18Å; N23-A27 WeakPolarHBondContact O-CB 3.42Å; N23-A27 PolarHBondContact O-N 2.92Å
24I85Confident74.7Confident16 Ų1671.3 Ų71.38%0.08235%0.345CS..Hα-helixtrans-58-33.9-177.9-175.664.8000113.2S28 H293 F297 L402 L403I24-S28 WeakPolarHBondContact O-CB 3.3Å; I24-S28 PolarHBondContact O-N 2.97Å; I24-S28 PolarHBondContact O-OG 3.4Å; I24-H293 HydrophobicContact CG2-CB 4.21Å; I24-F297 HydrophobicContact CD1-CD2 4.49Å; I24-L402 HydrophobicContact CB-CB 4.25Å; I24-L402 HydrophobicContact CD1-CB 4.01Å; I24-L403 HydrophobicContact CD1-CD2 3.97Å; I24-L403 HydrophobicContact CD1-CG 4.32Å; I24-L403 HydrophobicContact CG1-CD2 3.95Å
25V87.3Confident77.8Confident22 Ų2266.4 Ų66.413%0.13332%0.316CS..Hα-helixtrans-67.5-52.5-177.3169.90000110.4N23 S28 R29 F58N23-V25 PolarHBondContact O-N 3.12Å; N23-V25 WeakPolarHBondContact OD1-CA 3.48Å; N23-V25 WeakPolarHBondContact OD1-CB 3.44Å; N23-V25 PolarHBondContact OD1-N 2.96Å; V25-S28 PolarHBondContact O-N 3.06Å; V25-R29 WeakPolarHBondContact O-CB 3.5Å; V25-R29 PolarHBondContact O-N 3.19Å; V25-F58 HydrophobicContact CG1-CB 4.11Å; V25-F58 WeakPolarHBondContact CG1-O 3.49Å
26D88.1Confident80.2Confident61 Ų6160 Ų6033%0.32629%0.288SS..Hα-helixtrans-67.7-40.4-178.2-65.3-34.7000110.9M22 N23 R29 L30M22-D26 HydrophobicContact CB-CB 4.45Å; N23-D26 PolarHBondContact ND2-OD2 3.5Å; N23-D26 PolarHBondContact O-N 3.01Å; N23-D26 PolarHBondContact OD1-N 2.61Å; N23-D26 PolarHBondContact OD1-OD2 3.18Å; D26-R29 IonicContact OD1-CZ 3.89Å; D26-R29 IonicContact OD1-NH1 3.14Å; D26-R29 PolarHBondContact OD1-NH1 3.38Å; D26-R29 IonicContact OD1-NH2 3.48Å; D26-L30 VanDerWaalsContact O-CB 3.28Å; D26-L30 WeakPolarHBondContact O-CB 3.37Å; D26-L30 PolarHBondContact O-N 2.88Å
27A87.8Confident82.4Confident0 Ų052 Ų520%025%0.252CS..Hα-helixtrans-62.2-51.5174.900000110.7M22 N23 R29 L30 Y31 L399 L402M22-A27 HydrophobicContact CB-CB 4.09Å; N23-A27 WeakPolarHBondContact O-CB 3.42Å; N23-A27 PolarHBondContact O-N 2.92Å; A27-R29 VanDerWaalsContact C-N 3.33Å; A27-R29 PolarHBondContact O-N 3.23Å; A27-L30 PolarHBondContact O-N 3.48Å; A27-Y31 WeakPolarHBondContact O-CD2 3.02Å; A27-Y31 PolarHBondContact O-N 2.62Å; A27-L399 HydrophobicContact CB-CD2 3.42Å; A27-L399 VanDerWaalsContact CB-CD2 3.42Å; A27-L402 HydrophobicContact CB-CD1 3.85Å
28S88.7Confident84.3Confident5 Ų550.4 Ų50.44%0.03525%0.246CC..Hα-helixtrans-60.2-41.8-179.8-600000112.2I24 V25 Y32I24-S28 WeakPolarHBondContact O-CB 3.3Å; I24-S28 PolarHBondContact O-N 2.97Å; I24-S28 PolarHBondContact O-OG 3.4Å; V25-S28 PolarHBondContact O-N 3.06Å; S28-Y32 WeakPolarHBondContact O-CB 3.46Å; S28-Y32 PolarHBondContact O-N 3.43Å
29R91.6Very high85.9Confident62 Ų6247 Ų4723%0.23423%0.228CC..Hα-helixtrans-60-51.1175.4-172.8-168.9-61.7120.82.8111V25 D26 A27 Y31 Y32 R33 D55 F58V25-R29 WeakPolarHBondContact O-CB 3.5Å; V25-R29 PolarHBondContact O-N 3.19Å; D26-R29 IonicContact OD1-CZ 3.89Å; D26-R29 IonicContact OD1-NH1 3.14Å; D26-R29 PolarHBondContact OD1-NH1 3.38Å; D26-R29 IonicContact OD1-NH2 3.48Å; A27-R29 VanDerWaalsContact C-N 3.33Å; A27-R29 PolarHBondContact O-N 3.23Å; R29-Y31 PolarHBondContact O-N 3.15Å; R29-Y32 PolarHBondContact O-N 2.98Å; R29-R33 VanDerWaalsContact O-CB 3.32Å; R29-R33 WeakPolarHBondContact O-CB 3.22Å; R29-R33 PolarHBondContact O-N 2.94Å; R29-D55 HydrophobicContact CG-CB 4.49Å; R29-D55 PolarHBondContact NE-O 3.29Å; R29-F58 HydrophobicContact CB-CB 4.06Å; R29-F58 HydrophobicContact CB-CD1 4.13Å; R29-F58 HydrophobicContact CB-CD2 3.98Å; R29-F58 HydrophobicContact CB-CG 3.77Å; R29-F58 HydrophobicContact CG-CB 4.45Å; R29-F58 HydrophobicContact CG-CD2 3.8Å; R29-F58 HydrophobicContact CG-CE2 4.3Å; R29-F58 HydrophobicContact CG-CG 4.1Å
30L91Very high87.7Confident57 Ų5746.4 Ų46.430%0.29822%0.223SC..Hα-helixtrans-59.1-49.1-179.6179.766000111.4M22 D26 A27 R33 E34M22-L30 HydrophobicContact CE-CD2 4.11Å; M22-L30 HydrophobicContact SD-CD2 3.99Å; D26-L30 VanDerWaalsContact O-CB 3.28Å; D26-L30 WeakPolarHBondContact O-CB 3.37Å; D26-L30 PolarHBondContact O-N 2.88Å; A27-L30 PolarHBondContact O-N 3.48Å; L30-R33 PolarHBondContact O-N 3.13Å; L30-E34 HydrophobicContact CD1-CG 4.03Å; L30-E34 WeakPolarHBondContact O-CB 3.39Å; L30-E34 WeakPolarHBondContact O-CG 3.4Å; L30-E34 PolarHBondContact O-N 3.13Å
31Y90.9Very high89.2Confident10 Ų1048.8 Ų48.84%0.03923%0.229CC..Hα-helixtrans-65.6-41.1-179.5-82.4-71.2000112.9P19 A27 R29 K35 F391 D395 L399P19-Y31 HydrophobicContact CB-CE2 3.53Å; P19-Y31 WeakPolarHBondContact CB-OH 3.44Å; P19-Y31 HydrophobicContact CG-CE2 3.97Å; P19-Y31 VanDerWaalsContact CG-OH 3.27Å; P19-Y31 WeakPolarHBondContact CG-OH 3.33Å; A27-Y31 WeakPolarHBondContact O-CD2 3.02Å; A27-Y31 PolarHBondContact O-N 2.62Å; R29-Y31 PolarHBondContact O-N 3.15Å; Y31-K35 HydrophobicContact CD1-CD 3.79Å; Y31-K35 HydrophobicContact CD1-CG 4.36Å; Y31-K35 HydrophobicContact CE1-CD 4.26Å; Y31-K35 WeakPolarHBondContact O-CA 3.43Å; Y31-K35 VanDerWaalsContact O-CB 3.27Å; Y31-K35 WeakPolarHBondContact O-CB 3.44Å; Y31-K35 PolarHBondContact O-N 3.17Å; Y31-F391 AromaticContact CD1-CD2 3.79Å; Y31-F391 HydrophobicContact CD1-CD2 3.79Å; Y31-F391 AromaticContact CD1-CE2 4Å; Y31-F391 HydrophobicContact CD1-CE2 4Å; Y31-F391 HydrophobicContact CG-CD2 4.18Å; Y31-F391 AromaticContact CG-CE2 3.91Å; Y31-F391 HydrophobicContact CG-CE2 3.91Å; Y31-D395 HydrophobicContact CD1-CB 4.05Å; Y31-D395 HydrophobicContact CE1-CB 3.48Å; Y31-D395 VanDerWaalsContact CE1-CB 3.48Å; Y31-D395 WeakPolarHBondContact CE1-OD2 3.44Å; Y31-L399 HydrophobicContact CD2-CD1 3.56Å; Y31-L399 HydrophobicContact CD2-CD2 3.58Å; Y31-L399 HydrophobicContact CD2-CG 3.7Å; Y31-L399 HydrophobicContact CE2-CD1 4.05Å; Y31-L399 HydrophobicContact CE2-CD2 3.62Å; Y31-L399 HydrophobicContact CE2-CG 3.7Å; Y31-L399 HydrophobicContact CG-CD1 3.98Å
32Y93.7Very high90.4Very high1 Ų142.2 Ų42.20%0.00421%0.208CC..Iπ-helixtrans-61-50.5175.9175.7-103.8000110.8S28 R29 E34 V36 L37 E40 P52 M53 F58 V300 R303S28-Y32 WeakPolarHBondContact O-CB 3.46Å; S28-Y32 PolarHBondContact O-N 3.43Å; R29-Y32 PolarHBondContact O-N 2.98Å; Y32-E34 PolarHBondContact O-N 3.04Å; Y32-V36 HydrophobicContact CD2-CB 3.66Å; Y32-V36 HydrophobicContact CD2-CG1 3.77Å; Y32-V36 HydrophobicContact CD2-CG2 4.3Å; Y32-V36 HydrophobicContact CE2-CB 4.06Å; Y32-V36 HydrophobicContact CE2-CG1 3.72Å; Y32-V36 HydrophobicContact CG-CB 4.45Å; Y32-V36 WeakPolarHBondContact O-CA 3.28Å; Y32-V36 WeakPolarHBondContact O-CB 3.48Å; Y32-V36 PolarHBondContact O-N 3.32Å; Y32-L37 HydrophobicContact CD1-CB 4.42Å; Y32-L37 HydrophobicContact CE1-CB 4.13Å; Y32-L37 HydrophobicContact CE1-CD1 4.26Å; Y32-L37 WeakPolarHBondContact O-CB 3.2Å; Y32-L37 PolarHBondContact O-N 3.17Å; Y32-E40 PolarHBondContact OH-OE2 3.34Å; Y32-P52 VanDerWaalsContact OH-CA 3.28Å; Y32-P52 WeakPolarHBondContact OH-CA 3.24Å; Y32-P52 VanDerWaalsContact OH-CB 3.27Å; Y32-P52 WeakPolarHBondContact OH-CB 3.38Å; Y32-M53 HydrophobicContact CD1-CB 4.43Å; Y32-M53 HydrophobicContact CE1-CB 3.84Å; Y32-M53 WeakPolarHBondContact CE1-O 3.39Å; Y32-M53 PolarHBondContact OH-N 3.48Å; Y32-M53 VanDerWaalsContact OH-N 3.08Å; Y32-F58 AromaticContact CD1-CE2 3.91Å; Y32-F58 HydrophobicContact CD1-CE2 3.91Å; Y32-F58 AromaticContact CD1-CZ 3.53Å; Y32-F58 HydrophobicContact CD1-CZ 3.53Å; Y32-F58 HydrophobicContact CE1-CZ 4.32Å; Y32-F58 HydrophobicContact CG-CE2 4.48Å; Y32-F58 AromaticContact CG-CZ 3.66Å; Y32-F58 HydrophobicContact CG-CZ 3.66Å; Y32-V300 HydrophobicContact CD2-CG1 4.32Å; Y32-V300 HydrophobicContact CD2-CG2 4.42Å; Y32-R303 HydrophobicContact CE2-CB 4.42Å; Y32-R303 PolarHBondContact OH-NE 2.83Å
33R93.2Very high91.1Very high129 Ų12940 Ų4049%0.48720%0.197SC..Iπ-helixtrans-60.4-42.7-178.5-179.6172.8171.4160.3-3.1113.2R29 L30 P38 D55R29-R33 VanDerWaalsContact O-CB 3.32Å; R29-R33 WeakPolarHBondContact O-CB 3.22Å; R29-R33 PolarHBondContact O-N 2.94Å; L30-R33 PolarHBondContact O-N 3.13Å; R33-P38 WeakPolarHBondContact O-CD 3.48Å; R33-D55 IonicContact NH1-OD2 3.61Å; R33-D55 PolarHBondContact NH1-OD2 2.92Å
34E92.3Very high91.4Very high112 Ų11237.7 Ų37.752%0.52319%0.187SC..Iπ-helixtrans-87.4-31.1-175.1-67.1-60.7133.500113.4L30 Y32L30-E34 HydrophobicContact CD1-CG 4.03Å; L30-E34 WeakPolarHBondContact O-CB 3.39Å; L30-E34 WeakPolarHBondContact O-CG 3.4Å; L30-E34 PolarHBondContact O-N 3.13Å; Y32-E34 PolarHBondContact O-N 3.04Å
35K93.5Very high91.7Very high42 Ų4237.1 Ų37.118%0.18318%0.184CC..Iπ-helixtrans-115.7-22.9-168.3-50.2-159.7-174.6-174.80115Y31 T387 F391 D395Y31-K35 HydrophobicContact CD1-CD 3.79Å; Y31-K35 HydrophobicContact CD1-CG 4.36Å; Y31-K35 HydrophobicContact CE1-CD 4.26Å; Y31-K35 WeakPolarHBondContact O-CA 3.43Å; Y31-K35 VanDerWaalsContact O-CB 3.27Å; Y31-K35 WeakPolarHBondContact O-CB 3.44Å; Y31-K35 PolarHBondContact O-N 3.17Å; K35-T387 HydrophobicContact CB-CG2 3.87Å; K35-T387 HydrophobicContact CD-CG2 3.95Å; K35-T387 HydrophobicContact CG-CG2 3.68Å; K35-F391 HydrophobicContact CB-CB 3.97Å; K35-F391 HydrophobicContact CB-CD2 4.46Å; K35-F391 HydrophobicContact CB-CG 4.21Å; K35-F391 HydrophobicContact CD-CB 3.88Å; K35-F391 HydrophobicContact CD-CD2 4.23Å; K35-F391 HydrophobicContact CD-CG 4.42Å; K35-D395 WeakPolarHBondContact CD-OD2 3.37Å; K35-D395 WeakPolarHBondContact CE-OD2 3.48Å; K35-D395 IonicContact NZ-OD1 3.76Å; K35-D395 IonicContact NZ-OD2 2.68Å; K35-D395 PolarHBondContact NZ-OD2 3.45Å
36V94.4Very high91.6Very high0 Ų040 Ų400%020%0.199CC..Iπ-helixtrans-110.8-54.7-175.7-177.30000111.3Y32 P38 V39 E40 R303 A304 L388 F391Y32-V36 HydrophobicContact CD2-CB 3.66Å; Y32-V36 HydrophobicContact CD2-CG1 3.77Å; Y32-V36 HydrophobicContact CD2-CG2 4.3Å; Y32-V36 HydrophobicContact CE2-CB 4.06Å; Y32-V36 HydrophobicContact CE2-CG1 3.72Å; Y32-V36 HydrophobicContact CG-CB 4.45Å; Y32-V36 WeakPolarHBondContact O-CA 3.28Å; Y32-V36 WeakPolarHBondContact O-CB 3.48Å; Y32-V36 PolarHBondContact O-N 3.32Å; V36-P38 VanDerWaalsContact C-CD 3.41Å; V36-V39 PolarHBondContact O-N 3.4Å; V36-E40 HydrophobicContact CG1-CG 4.21Å; V36-E40 PolarHBondContact O-N 3.04Å; V36-R303 HydrophobicContact CG1-CB 4.41Å; V36-A304 HydrophobicContact CG1-CB 4.21Å; V36-A304 HydrophobicContact CG2-CB 3.78Å; V36-L388 HydrophobicContact CG2-CD1 4.08Å; V36-F391 HydrophobicContact CG2-CD1 3.82Å; V36-F391 HydrophobicContact CG2-CE1 3.7Å; V36-F391 HydrophobicContact CG2-CZ 4.4Å
37L94.5Very high91.4Very high28 Ų2839.5 Ų39.515%0.14720%0.196CC..Hα-helixtrans-52.2-42.3-176.3179.762.6000114Y32 V39 E40 Q41 P52Y32-L37 HydrophobicContact CD1-CB 4.42Å; Y32-L37 HydrophobicContact CE1-CB 4.13Å; Y32-L37 HydrophobicContact CE1-CD1 4.26Å; Y32-L37 WeakPolarHBondContact O-CB 3.2Å; Y32-L37 PolarHBondContact O-N 3.17Å; L37-V39 PolarHBondContact O-N 3.26Å; L37-E40 PolarHBondContact O-N 3.23Å; L37-E40 VanDerWaalsContact O-N 3.15Å; L37-Q41 HydrophobicContact CD1-CG 3.91Å; L37-Q41 HydrophobicContact CG-CG 4.26Å; L37-Q41 WeakPolarHBondContact O-CG 3.26Å; L37-Q41 PolarHBondContact O-N 3.35Å; L37-P52 HydrophobicContact CD1-CB 3.31Å; L37-P52 HydrophobicContact CD1-CG 4.01Å
38P94.6Very high91.3Very high37 Ų3740.7 Ų40.724%0.2420%0.202CC..Hα-helixtrans-62.8-29.7179.7-24.236.5000113R33 V36 A42 L384R33-P38 WeakPolarHBondContact O-CD 3.48Å; V36-P38 VanDerWaalsContact C-CD 3.41Å; P38-A42 WeakPolarHBondContact O-CB 3.25Å; P38-A42 PolarHBondContact O-N 3.07Å; P38-A42 VanDerWaalsContact O-N 3.08Å; P38-L384 HydrophobicContact CB-CD2 3.78Å
39V94.4Very high91Very high1 Ų144 Ų441%0.00621%0.214CC..Hα-helixtrans-77.8-40.5176-177.90000110.7V36 L37 Q41 A42 L43 A307 A311 V380 L384 L388V36-V39 PolarHBondContact O-N 3.4Å; L37-V39 PolarHBondContact O-N 3.26Å; V39-Q41 VanDerWaalsContact C-N 3.35Å; V39-Q41 PolarHBondContact O-N 2.86Å; V39-A42 PolarHBondContact O-N 3.13Å; V39-L43 HydrophobicContact CG1-CD1 3.76Å; V39-L43 HydrophobicContact CG1-CG 4.48Å; V39-L43 WeakPolarHBondContact O-CB 3.46Å; V39-L43 WeakPolarHBondContact O-CG 3.49Å; V39-L43 PolarHBondContact O-N 2.98Å; V39-L43 VanDerWaalsContact O-N 3.11Å; V39-A307 HydrophobicContact CB-CB 4.37Å; V39-A307 HydrophobicContact CG1-CB 3.99Å; V39-A311 HydrophobicContact CG1-CB 4.17Å; V39-V380 HydrophobicContact CG1-CG1 4.2Å; V39-V380 HydrophobicContact CG2-CG1 4.36Å; V39-L384 HydrophobicContact CG2-CB 4.01Å; V39-L388 HydrophobicContact CB-CD2 4.26Å; V39-L388 HydrophobicContact CG1-CD2 4.03Å; V39-L388 HydrophobicContact CG2-CB 4.29Å; V39-L388 HydrophobicContact CG2-CD2 4.1Å
40E93.8Very high90.5Very high12 Ų1241.5 Ų41.56%0.05621%0.208CC..Hα-helixtrans-59.9-45.6175.3-62.9-162.5150.100111.7Y32 V36 L37 L43 S44 L45 R303 A307Y32-E40 PolarHBondContact OH-OE2 3.34Å; V36-E40 HydrophobicContact CG1-CG 4.21Å; V36-E40 PolarHBondContact O-N 3.04Å; L37-E40 PolarHBondContact O-N 3.23Å; L37-E40 VanDerWaalsContact O-N 3.15Å; E40-L43 CarbonylContact O-C 3.59Å; E40-L43 PolarHBondContact O-N 3.35Å; E40-S44 PolarHBondContact O-N 2.83Å; E40-L45 HydrophobicContact CB-CD1 4.41Å; E40-L45 HydrophobicContact CG-CD1 4.24Å; E40-L45 PolarHBondContact O-N 2.98Å; E40-L45 VanDerWaalsContact O-N 3.09Å; E40-R303 VanDerWaalsContact OE1-CB 3.29Å; E40-R303 WeakPolarHBondContact OE1-CB 3.42Å; E40-R303 IonicContact OE1-CZ 3.35Å; E40-R303 IonicContact OE1-NE 2.77Å; E40-R303 PolarHBondContact OE1-NE 3.25Å; E40-R303 IonicContact OE1-NH2 2.64Å; E40-R303 IonicContact OE2-CZ 3.69Å; E40-R303 IonicContact OE2-NE 3.72Å; E40-R303 PolarHBondContact OE2-NE 3.45Å; E40-R303 IonicContact OE2-NH2 3.21Å; E40-R303 PolarHBondContact OE2-NH2 2.9Å; E40-A307 HydrophobicContact CG-CB 4.15Å
41Q92.1Very high90.2Very high122 Ų12240 Ų4057%0.5720%0.201SC*.Hα-helixtrans-66.7-43.5178.2-71.7176.6-25.300112L37 V39 L43 S44L37-Q41 HydrophobicContact CD1-CG 3.91Å; L37-Q41 HydrophobicContact CG-CG 4.26Å; L37-Q41 WeakPolarHBondContact O-CG 3.26Å; L37-Q41 PolarHBondContact O-N 3.35Å; V39-Q41 VanDerWaalsContact C-N 3.35Å; V39-Q41 PolarHBondContact O-N 2.86Å; Q41-L43 PolarHBondContact O-N 3.34Å; Q41-S44 PolarHBondContact O-N 2.84Å; Q41-S44 VanDerWaalsContact O-N 3.14Å
42A91.8Very high90.1Very high38 Ų3841.7 Ų41.731%0.31421%0.213SC..Hα-helixtrans-61.9-27.7177.400000112.7P38 V39 T378 V380P38-A42 WeakPolarHBondContact O-CB 3.25Å; P38-A42 PolarHBondContact O-N 3.07Å; P38-A42 VanDerWaalsContact O-N 3.08Å; V39-A42 PolarHBondContact O-N 3.13Å; A42-T378 WeakPolarHBondContact O-CG2 3.35Å; A42-V380 HydrophobicContact CB-CG2 4.29Å
43L91.1Very high90Very high0 Ų042 Ų420%022%0.215CC..THydrogen-bonded Turntrans-98-1.2179-69.3171.2000113.5V39 E40 Q41 L45 H310 A311 A314 H367 Y373 T378 V380V39-L43 HydrophobicContact CG1-CD1 3.76Å; V39-L43 HydrophobicContact CG1-CG 4.48Å; V39-L43 WeakPolarHBondContact O-CB 3.46Å; V39-L43 WeakPolarHBondContact O-CG 3.49Å; V39-L43 PolarHBondContact O-N 2.98Å; V39-L43 VanDerWaalsContact O-N 3.11Å; E40-L43 CarbonylContact O-C 3.59Å; E40-L43 PolarHBondContact O-N 3.35Å; Q41-L43 PolarHBondContact O-N 3.34Å; L43-L45 HydrophobicContact CB-CD1 4.37Å; L43-L45 HydrophobicContact CB-CD2 3.83Å; L43-L45 HydrophobicContact CB-CG 3.72Å; L43-L45 HydrophobicContact CD1-CD1 4.22Å; L43-L45 HydrophobicContact CD1-CD2 4.42Å; L43-L45 HydrophobicContact CD1-CG 4.4Å; L43-L45 PolarHBondContact O-N 2.86Å; L43-H310 HydrophobicContact CD1-CB 3.84Å; L43-A311 HydrophobicContact CD1-CB 3.99Å; L43-A314 HydrophobicContact CD2-CB 3.97Å; L43-H367 PolarHBondContact O-CE1 3.34Å; L43-H367 PolarHBondContact O-NE2 2.91Å; L43-Y373 WeakPolarHBondContact O-CD2 3.2Å; L43-Y373 WeakPolarHBondContact O-CE2 3.41Å; L43-T378 HydrophobicContact CD2-CG2 3.76Å; L43-V380 HydrophobicContact CD1-CG2 4.22Å; L43-V380 HydrophobicContact CD2-CG2 3.46Å; L43-V380 VanDerWaalsContact CD2-CG2 3.46Å; L43-V380 HydrophobicContact CG-CG2 3.62Å
44S90.4Very high89.8Confident37 Ų3736.9 Ų36.926%0.25920%0.199SC..THydrogen-bonded Turntrans44.648.7-172.7-47.60000112.7E40 Q41 D46 I47 H367E40-S44 PolarHBondContact O-N 2.83Å; Q41-S44 PolarHBondContact O-N 2.84Å; Q41-S44 VanDerWaalsContact O-N 3.14Å; S44-D46 VanDerWaalsContact CA-OD1 3.25Å; S44-D46 WeakPolarHBondContact CA-OD1 3.44Å; S44-D46 PolarHBondContact O-N 3.29Å; S44-I47 WeakPolarHBondContact O-CD1 3.32Å; S44-I47 WeakPolarHBondContact O-CG1 3.45Å; S44-I47 PolarHBondContact O-N 3.45Å; S44-H367 PolarHBondContact O-NE2 3.45Å
45L90.3Very high89.7Confident3 Ų334.9 Ų34.92%0.01619%0.192CC..THydrogen-bonded Turntrans-68.9-17.6-177.2-66.5-176.4000113E40 L43 I47 I48 Y49 A307 H310E40-L45 HydrophobicContact CB-CD1 4.41Å; E40-L45 HydrophobicContact CG-CD1 4.24Å; E40-L45 PolarHBondContact O-N 2.98Å; E40-L45 VanDerWaalsContact O-N 3.09Å; L43-L45 HydrophobicContact CB-CD1 4.37Å; L43-L45 HydrophobicContact CB-CD2 3.83Å; L43-L45 HydrophobicContact CB-CG 3.72Å; L43-L45 HydrophobicContact CD1-CD1 4.22Å; L43-L45 HydrophobicContact CD1-CD2 4.42Å; L43-L45 HydrophobicContact CD1-CG 4.4Å; L43-L45 PolarHBondContact O-N 2.86Å; L45-I47 PolarHBondContact O-N 3.27Å; L45-I48 PolarHBondContact O-N 3.03Å; L45-Y49 HydrophobicContact CB-CD2 4.15Å; L45-Y49 HydrophobicContact CD2-CD2 4.46Å; L45-Y49 HydrophobicContact CD2-CE2 4.39Å; L45-Y49 PolarHBondContact O-N 3.33Å; L45-A307 HydrophobicContact CD1-CB 4.01Å; L45-H310 HydrophobicContact CD1-CB 4.49Å; L45-H310 HydrophobicContact CD2-CB 3.8Å
46D86.1Confident89.5Confident84 Ų8433.8 Ų33.845%0.44919%0.191SC..Hα-helixtrans-57.9-29.3176.261.1-48.2000113.6S44 I48 G50S44-D46 VanDerWaalsContact CA-OD1 3.25Å; S44-D46 WeakPolarHBondContact CA-OD1 3.44Å; S44-D46 PolarHBondContact O-N 3.29Å; D46-I48 PolarHBondContact O-N 3.24Å; D46-G50 VanDerWaalsContact CA-O 3.28Å; D46-G50 WeakPolarHBondContact CA-O 3.41Å; D46-G50 VanDerWaalsContact O-CA 3.25Å; D46-G50 WeakPolarHBondContact O-CA 3.47Å; D46-G50 PolarHBondContact O-N 3.03Å; D46-G50 VanDerWaalsContact O-N 3.07Å
47I83.7Confident89.4Confident49 Ų4933.9 Ų33.925%0.25119%0.191SC..Hα-helixtrans-57.2-33.9174.8-62.8170.2000112.1S44 L45 S370S44-I47 WeakPolarHBondContact O-CD1 3.32Å; S44-I47 WeakPolarHBondContact O-CG1 3.45Å; S44-I47 PolarHBondContact O-N 3.45Å; L45-I47 PolarHBondContact O-N 3.27Å; I47-S370 VanDerWaalsContact CG2-OG 3.24Å; I47-S370 WeakPolarHBondContact CG2-OG 3.39Å
48I84.5Confident89.2Confident26 Ų2632.8 Ų32.813%0.13319%0.185CC..Hα-helixtrans-113-43.5-170.8-59.1-62.9000112.3L45 D46 L363 K366 H367L45-I48 PolarHBondContact O-N 3.03Å; D46-I48 PolarHBondContact O-N 3.24Å; I48-L363 HydrophobicContact CG2-CB 4.46Å; I48-L363 HydrophobicContact CG2-CD2 3.89Å; I48-K366 HydrophobicContact CD1-CB 3.85Å; I48-K366 HydrophobicContact CD1-CD 3.72Å; I48-K366 HydrophobicContact CD1-CG 3.53Å; I48-H367 HydrophobicContact CD1-CB 4.26Å; I48-H367 HydrophobicContact CG1-CB 3.72Å
49Y83.7Confident88.9Confident74 Ų7433.1 Ų33.129%0.2920%0.196SC..Hα-helixtrans-97.4-6.6-174.7-62.6-76.4000112.9L45 T306 H310 P359 L363L45-Y49 HydrophobicContact CB-CD2 4.15Å; L45-Y49 HydrophobicContact CD2-CD2 4.46Å; L45-Y49 HydrophobicContact CD2-CE2 4.39Å; L45-Y49 PolarHBondContact O-N 3.33Å; Y49-T306 HydrophobicContact CD1-CG2 4.32Å; Y49-T306 HydrophobicContact CD2-CG2 4.1Å; Y49-T306 HydrophobicContact CE1-CG2 3.94Å; Y49-T306 HydrophobicContact CE2-CG2 3.72Å; Y49-T306 HydrophobicContact CG-CG2 4.38Å; Y49-H310 AromaticContact CE2-CD2 3.8Å; Y49-H310 AromaticContact CE2-NE2 3.23Å; Y49-H310 WeakPolarHBondContact CE2-NE2 3.15Å; Y49-H310 AromaticContact CZ-NE2 3.41Å; Y49-H310 PolarHBondContact OH-NE2 3.42Å; Y49-P359 WeakPolarHBondContact OH-CB 3.31Å; Y49-L363 HydrophobicContact CE1-CD1 4.27Å
50G80.4Confident88.8Confident9 Ų933.7 Ų33.79%0.09320%0.2CC..  trans84.6170-172.800000112.8D46D46-G50 VanDerWaalsContact CA-O 3.28Å; D46-G50 WeakPolarHBondContact CA-O 3.41Å; D46-G50 VanDerWaalsContact O-CA 3.25Å; D46-G50 WeakPolarHBondContact O-CA 3.47Å; D46-G50 PolarHBondContact O-N 3.03Å; D46-G50 VanDerWaalsContact O-N 3.07Å
51P85.4Confident88.7Confident26 Ų2635.1 Ų35.117%0.16921%0.21CC..PPolyproline II helixtrans-57.4157.8-168.923.2-36.1000114.4E127 R303P51-E127 HydrophobicContact CB-CB 4.43Å; P51-E127 HydrophobicContact CB-CG 3.74Å; P51-E127 HydrophobicContact CG-CB 3.76Å; P51-E127 HydrophobicContact CG-CG 3.48Å; P51-E127 VanDerWaalsContact CG-CG 3.48Å; P51-E127 WeakPolarHBondContact CG-OE2 3.46Å; P51-R303 PolarHBondContact O-NH1 2.88Å; P51-R303 PolarHBondContact O-NH2 3.39Å
52P89.3Confident88.9Confident45 Ų4529.5 Ų29.529%0.29218%0.184SC..PPolyproline II helixtrans-63.9148.1173.228.5-34.6000111.8Y32 L37 C54 R303Y32-P52 VanDerWaalsContact OH-CA 3.28Å; Y32-P52 WeakPolarHBondContact OH-CA 3.24Å; Y32-P52 VanDerWaalsContact OH-CB 3.27Å; Y32-P52 WeakPolarHBondContact OH-CB 3.38Å; L37-P52 HydrophobicContact CD1-CB 3.31Å; L37-P52 HydrophobicContact CD1-CG 4.01Å; P52-C54 PolarHBondContact O-N 3.29Å; P52-R303 VanDerWaalsContact CA-NH2 3.32Å
53M90.4Very high89.1Confident7 Ų727.7 Ų27.73%0.03417%0.169CC..PPolyproline II helixtrans-59.6132174.8-60178.574.300110Y32 E57 F58 E299 V300Y32-M53 HydrophobicContact CD1-CB 4.43Å; Y32-M53 HydrophobicContact CE1-CB 3.84Å; Y32-M53 WeakPolarHBondContact CE1-O 3.39Å; Y32-M53 PolarHBondContact OH-N 3.48Å; Y32-M53 VanDerWaalsContact OH-N 3.08Å; M53-E57 HydrophobicContact CE-CG 4.31Å; M53-F58 HydrophobicContact CB-CE2 3.86Å; M53-F58 HydrophobicContact CB-CZ 3.96Å; M53-F58 HydrophobicContact CE-CE1 4.13Å; M53-F58 HydrophobicContact CE-CZ 4.09Å; M53-F58 HydrophobicContact SD-CE1 4.35Å; M53-F58 HydrophobicContact SD-CZ 3.99Å; M53-E299 HydrophobicContact CE-CG 4.36Å; M53-E299 HydrophobicContact SD-CB 4.47Å; M53-E299 HydrophobicContact SD-CG 3.97Å; M53-V300 HydrophobicContact SD-CG2 4.08Å
54C88.7Confident89.4Confident23 Ų2327.7 Ų27.716%0.15517%0.169CC..PPolyproline II helixtrans-83.2156.8177.376.80000111.9P52 A56 E57 F58 P124P52-C54 PolarHBondContact O-N 3.29Å; C54-A56 PolarHBondContact O-N 3.33Å; C54-E57 WeakPolarHBondContact O-CB 3.09Å; C54-E57 PolarHBondContact O-N 3.02Å; C54-E57 PolarHBondContact SG-N 3.39Å; C54-E57 VanDerWaalsContact SG-N 3.42Å; C54-F58 VanDerWaalsContact O-CD2 3.3Å; C54-F58 WeakPolarHBondContact O-CD2 3.47Å; C54-P124 PolarHBondContact SG-O 2.74Å
55D89.8Confident89.8Confident69 Ų6925.9 Ų25.937%0.36916%0.157SC..Hα-helixtrans-59-33.9-177.8-80.8-12.4000112.7R29 R33R29-D55 HydrophobicContact CG-CB 4.49Å; R29-D55 PolarHBondContact NE-O 3.29Å; R33-D55 IonicContact NH1-OD2 3.61Å; R33-D55 PolarHBondContact NH1-OD2 2.92Å
56A90.6Very high90.1Very high20 Ų2025.8 Ų25.817%0.16516%0.156CC..Hα-helixtrans-69.5-30.2177.400000113C54 F58 G59 S60 S121 P124C54-A56 PolarHBondContact O-N 3.33Å; A56-F58 VanDerWaalsContact C-N 3.3Å; A56-F58 PolarHBondContact O-N 3.08Å; A56-G59 PolarHBondContact O-N 2.89Å; A56-S60 WeakPolarHBondContact O-CB 3.27Å; A56-S60 PolarHBondContact O-N 3.25Å; A56-S121 WeakPolarHBondContact CB-O 3.48Å; A56-P124 HydrophobicContact CB-CB 4.37Å
57E91.7Very high90.5Very high2 Ų221.9 Ų21.91%0.00914%0.135CC..Hα-helixtrans-65.1-32.5-179.5-176.5169.3-167.200112.4M53 C54 G59 S60 P124 K184 R296M53-E57 HydrophobicContact CE-CG 4.31Å; C54-E57 WeakPolarHBondContact O-CB 3.09Å; C54-E57 PolarHBondContact O-N 3.02Å; C54-E57 PolarHBondContact SG-N 3.39Å; C54-E57 VanDerWaalsContact SG-N 3.42Å; E57-G59 VanDerWaalsContact C-N 3.29Å; E57-G59 PolarHBondContact O-N 3.11Å; E57-S60 PolarHBondContact O-OG 3.29Å; E57-P124 HydrophobicContact CB-CB 4.24Å; E57-K184 VanDerWaalsContact OE1-CD 3.23Å; E57-K184 WeakPolarHBondContact OE1-CD 3.44Å; E57-K184 IonicContact OE1-NZ 3.56Å; E57-K184 PolarHBondContact OE1-NZ 2.92Å; E57-K184 IonicContact OE2-NZ 2.85Å; E57-K184 PolarHBondContact OE2-NZ 3.1Å; E57-R296 PolarHBondContact O-NE 2.77Å; E57-R296 PolarHBondContact O-NH1 2.87Å; E57-R296 VanDerWaalsContact O-NH1 3.09Å; E57-R296 PolarHBondContact O-NH2 2.82Å
58F90.7Very high90.8Very high4 Ų419.5 Ų19.52%0.01812%0.123CC..Hα-helixtrans-62-38.5178.9-71.7-87.4000112.7V25 R29 Y32 M53 C54 A56 R296 V300V25-F58 HydrophobicContact CG1-CB 4.11Å; V25-F58 WeakPolarHBondContact CG1-O 3.49Å; R29-F58 HydrophobicContact CB-CB 4.06Å; R29-F58 HydrophobicContact CB-CD1 4.13Å; R29-F58 HydrophobicContact CB-CD2 3.98Å; R29-F58 HydrophobicContact CB-CG 3.77Å; R29-F58 HydrophobicContact CG-CB 4.45Å; R29-F58 HydrophobicContact CG-CD2 3.8Å; R29-F58 HydrophobicContact CG-CE2 4.3Å; R29-F58 HydrophobicContact CG-CG 4.1Å; Y32-F58 AromaticContact CD1-CE2 3.91Å; Y32-F58 HydrophobicContact CD1-CE2 3.91Å; Y32-F58 AromaticContact CD1-CZ 3.53Å; Y32-F58 HydrophobicContact CD1-CZ 3.53Å; Y32-F58 HydrophobicContact CE1-CZ 4.32Å; Y32-F58 HydrophobicContact CG-CE2 4.48Å; Y32-F58 AromaticContact CG-CZ 3.66Å; Y32-F58 HydrophobicContact CG-CZ 3.66Å; M53-F58 HydrophobicContact CB-CE2 3.86Å; M53-F58 HydrophobicContact CB-CZ 3.96Å; M53-F58 HydrophobicContact CE-CE1 4.13Å; M53-F58 HydrophobicContact CE-CZ 4.09Å; M53-F58 HydrophobicContact SD-CE1 4.35Å; M53-F58 HydrophobicContact SD-CZ 3.99Å; C54-F58 VanDerWaalsContact O-CD2 3.3Å; C54-F58 WeakPolarHBondContact O-CD2 3.47Å; A56-F58 VanDerWaalsContact C-N 3.3Å; A56-F58 PolarHBondContact O-N 3.08Å; F58-R296 PolarHBondContact O-NH1 2.92Å; F58-V300 HydrophobicContact CE1-CG2 3.66Å; F58-V300 HydrophobicContact CZ-CG2 4.24Å
59G88.7Confident91Very high45 Ų4519 Ų1946%0.46412%0.122SC..Hα-helixtrans-104-1.1-174.500000114.9A56 E57A56-G59 PolarHBondContact O-N 2.89Å; E57-G59 VanDerWaalsContact C-N 3.29Å; E57-G59 PolarHBondContact O-N 3.11Å
60S92Very high91Very high13 Ų1317.2 Ų17.29%0.09112%0.115CC..SBendtrans-70.5157.3-177.761.40000112.1A56 E57 R296A56-S60 WeakPolarHBondContact O-CB 3.27Å; A56-S60 PolarHBondContact O-N 3.25Å; E57-S60 PolarHBondContact O-OG 3.29Å; S60-R296 PolarHBondContact O-NH1 2.57Å; S60-R296 PolarHBondContact O-NH2 2.92Å; S60-R296 PolarHBondContact OG-NH2 2.94Å
61P92.2Very high91.2Very high41 Ų4118.6 Ų18.627%0.26612%0.124SC..PPolyproline II helixtrans-63157.8168.5-19.831.9000112.2I153 R296P61-I153 HydrophobicContact CB-CG1 4.31Å; P61-R296 PolarHBondContact O-NH2 3.04Å
62P94.7Very high91.4Very high4 Ų417.4 Ų17.43%0.02612%0.116CC..PPolyproline II helixtrans-61148.3175.623.3-33.9000112.9N151 M152 I153 D186 M288 N289 V292P62-N151 VanDerWaalsContact CD-O 3.27Å; P62-N151 WeakPolarHBondContact CD-O 3.32Å; P62-N151 WeakPolarHBondContact CG-O 3.45Å; P62-M152 CarbonylContact O-C 3.54Å; P62-M152 WeakPolarHBondContact O-CA 3.27Å; P62-I153 PolarHBondContact O-N 2.95Å; P62-D186 WeakPolarHBondContact CA-OD2 3.38Å; P62-D186 HydrophobicContact CB-CB 3.83Å; P62-M288 HydrophobicContact CB-CB 3.8Å; P62-M288 HydrophobicContact CG-CB 3.9Å; P62-N289 VanDerWaalsContact CG-OD1 3.22Å; P62-N289 WeakPolarHBondContact CG-OD1 3.31Å; P62-V292 HydrophobicContact CB-CB 4.13Å; P62-V292 HydrophobicContact CB-CG2 4.17Å
63L96.8Very high91.5Very high0 Ų015.8 Ų15.80%011%0.107CC..EExtended strand (participates in β ladder)trans-97.9125.5178.2-166.5149000112.2L65 Y125 I153 V155 W181 A185 D186 R187L63-L65 HydrophobicContact CD2-CB 3.88Å; L63-Y125 HydrophobicContact CD1-CD2 4.25Å; L63-Y125 HydrophobicContact CD1-CE1 4Å; L63-Y125 HydrophobicContact CD1-CE2 3.47Å; L63-Y125 VanDerWaalsContact CD1-CE2 3.47Å; L63-Y125 WeakPolarHBondContact CD1-OH 3.36Å; L63-I153 CarbonylContact C-O 3.58Å; L63-I153 WeakPolarHBondContact CA-O 3.29Å; L63-I153 HydrophobicContact CD1-CG2 4.42Å; L63-I153 HydrophobicContact CG-CG2 4.5Å; L63-V155 HydrophobicContact CD1-CG2 3.74Å; L63-V155 HydrophobicContact CD2-CB 4.33Å; L63-V155 HydrophobicContact CD2-CG2 3.89Å; L63-V155 HydrophobicContact CG-CG2 3.98Å; L63-W181 HydrophobicContact CD1-CE3 3.86Å; L63-W181 HydrophobicContact CD1-CZ3 3.64Å; L63-A185 HydrophobicContact CB-CB 4.35Å; L63-A185 HydrophobicContact CD2-CB 3.33Å; L63-A185 HydrophobicContact CG-CB 4.41Å; L63-A185 WeakPolarHBondContact O-CB 3.46Å; L63-D186 PolarHBondContact N-OD2 3.01Å; L63-D186 WeakPolarHBondContact O-CB 3.33Å; L63-D186 PolarHBondContact O-N 3.33Å; L63-R187 PolarHBondContact O-N 3.11Å
64L97.4Very high91.6Very high0 Ų015.9 Ų15.90%011%0.107CC..EExtended strand (participates in β ladder)trans-104.3110171.2-169.564.1000110F66 M81 I153 I154 V155 R187 V189 I285 M288L64-F66 HydrophobicContact CD2-CE2 3.68Å; L64-F66 HydrophobicContact CD2-CZ 4.06Å; L64-F66 HydrophobicContact CG-CD2 4.48Å; L64-F66 HydrophobicContact CG-CE2 3.86Å; L64-M81 HydrophobicContact CD2-CE 3.87Å; L64-I153 PolarHBondContact N-O 2.89Å; L64-I154 HydrophobicContact CB-CG1 4.42Å; L64-I154 WeakPolarHBondContact O-CA 3.27Å; L64-V155 PolarHBondContact O-N 3.33Å; L64-R187 HydrophobicContact CD1-CB 3.76Å; L64-V189 HydrophobicContact CD1-CG2 3.54Å; L64-V189 HydrophobicContact CD2-CG2 4.27Å; L64-V189 HydrophobicContact CG-CG2 3.95Å; L64-I285 HydrophobicContact CD1-CG1 4.42Å; L64-I285 HydrophobicContact CD2-CD1 4.19Å; L64-I285 HydrophobicContact CD2-CG1 4.4Å; L64-I285 HydrophobicContact CD2-CG2 4.34Å; L64-M288 HydrophobicContact CB-CE 4.14Å; L64-M288 HydrophobicContact CD1-CE 3.91Å; L64-M288 HydrophobicContact CD1-SD 4.02Å; L64-M288 HydrophobicContact CG-CE 4.42Å
65L98Very high91.8Very high0 Ų015.4 Ų15.40%010%0.104CC..EExtended strand (participates in β ladder)trans-95.4128.4-178.7176.964.1000110.8L63 L67 V155 T157 W181 I182 A185 R187 I188 V189L63-L65 HydrophobicContact CD2-CB 3.88Å; L65-L67 HydrophobicContact CD1-CD2 4.3Å; L65-L67 HydrophobicContact CD2-CD1 3.99Å; L65-L67 HydrophobicContact CD2-CD2 4.12Å; L65-L67 HydrophobicContact CD2-CG 4.02Å; L65-L67 HydrophobicContact CG-CD1 4.49Å; L65-L67 HydrophobicContact CG-CD2 4.13Å; L65-L67 HydrophobicContact CG-CG 4Å; L65-V155 HydrophobicContact CD1-CB 3.8Å; L65-V155 HydrophobicContact CD1-CG1 3.67Å; L65-T157 HydrophobicContact CD1-CG2 3.7Å; L65-W181 HydrophobicContact CD1-CB 3.85Å; L65-W181 HydrophobicContact CD1-CG 4.36Å; L65-W181 HydrophobicContact CD2-CB 3.8Å; L65-W181 HydrophobicContact CG-CB 4.45Å; L65-I182 HydrophobicContact CD2-CG1 3.76Å; L65-A185 HydrophobicContact CB-CB 3.73Å; L65-R187 PolarHBondContact N-O 3.12Å; L65-I188 HydrophobicContact CD2-CG1 4.39Å; L65-I188 HydrophobicContact CD2-CG2 4.32Å; L65-I188 CarbonylContact O-C 3.45Å; L65-I188 WeakPolarHBondContact O-CA 3.49Å; L65-V189 PolarHBondContact O-N 2.86Å
66F96.8Very high92Very high0 Ų013.6 Ų13.60%010%0.096CC..EExtended strand (participates in β ladder)trans-99.7124172.8-77.5-101.5000111.7L64 K74 M77 I78 M81 I154 V155 T157 V189 V191L64-F66 HydrophobicContact CD2-CE2 3.68Å; L64-F66 HydrophobicContact CD2-CZ 4.06Å; L64-F66 HydrophobicContact CG-CD2 4.48Å; L64-F66 HydrophobicContact CG-CE2 3.86Å; F66-K74 HydrophobicContact CB-CB 4.35Å; F66-K74 HydrophobicContact CB-CD 4.24Å; F66-K74 HydrophobicContact CB-CG 4.38Å; F66-K74 HydrophobicContact CD1-CB 4.43Å; F66-M77 HydrophobicContact CE1-CB 4.46Å; F66-M77 HydrophobicContact CE1-CE 4.32Å; F66-M77 HydrophobicContact CE1-CG 4.03Å; F66-M77 HydrophobicContact CE1-SD 3.86Å; F66-I78 HydrophobicContact CB-CD1 4.25Å; F66-I78 HydrophobicContact CD1-CD1 4.29Å; F66-I78 HydrophobicContact CD1-CG1 4.1Å; F66-I78 HydrophobicContact CD2-CD1 3.69Å; F66-I78 HydrophobicContact CD2-CG1 3.79Å; F66-I78 HydrophobicContact CE1-CG1 3.97Å; F66-I78 HydrophobicContact CE2-CD1 4.08Å; F66-I78 HydrophobicContact CE2-CG1 3.66Å; F66-I78 HydrophobicContact CG-CD1 3.81Å; F66-I78 HydrophobicContact CG-CG1 4.02Å; F66-I78 HydrophobicContact CZ-CG1 3.75Å; F66-M81 HydrophobicContact CZ-SD 3.78Å; F66-I154 HydrophobicContact CD2-CG2 3.75Å; F66-I154 HydrophobicContact CE2-CG2 3.7Å; F66-V155 PolarHBondContact N-O 2.87Å; F66-T157 WeakPolarHBondContact O-CB 3.46Å; F66-T157 WeakPolarHBondContact O-CG2 3.15Å; F66-T157 PolarHBondContact O-OG1 2.86Å; F66-V189 WeakPolarHBondContact CA-O 3.23Å; F66-V189 HydrophobicContact CD1-CB 3.91Å; F66-V189 HydrophobicContact CD1-CG1 4Å; F66-V189 HydrophobicContact CE1-CB 3.91Å; F66-V189 HydrophobicContact CE1-CG1 3.78Å; F66-V189 HydrophobicContact CE1-CG2 4.21Å; F66-V189 HydrophobicContact CE2-CG2 4.39Å; F66-V189 HydrophobicContact CG-CB 4.3Å; F66-V189 HydrophobicContact CZ-CB 4.28Å; F66-V189 HydrophobicContact CZ-CG1 4.45Å; F66-V189 HydrophobicContact CZ-CG2 4.1Å; F66-V191 HydrophobicContact CD1-CG2 4.01Å; F66-V191 HydrophobicContact CE1-CG2 4.45Å
67L94.4Very high92.2Very high2 Ų212.7 Ų12.71%0.019%0.088CC..EExtended strand (participates in β ladder)trans-127.8156.8177-61.2177.7000110.4L65 T157 I182 I188 V189 V190 V191 L206 V210L65-L67 HydrophobicContact CD1-CD2 4.3Å; L65-L67 HydrophobicContact CD2-CD1 3.99Å; L65-L67 HydrophobicContact CD2-CD2 4.12Å; L65-L67 HydrophobicContact CD2-CG 4.02Å; L65-L67 HydrophobicContact CG-CD1 4.49Å; L65-L67 HydrophobicContact CG-CD2 4.13Å; L65-L67 HydrophobicContact CG-CG 4Å; L67-T157 HydrophobicContact CD2-CG2 3.89Å; L67-I182 HydrophobicContact CD1-CD1 4.09Å; L67-I182 HydrophobicContact CD1-CG1 4.08Å; L67-I188 HydrophobicContact CD1-CG2 3.57Å; L67-I188 HydrophobicContact CG-CG2 4.05Å; L67-V189 PolarHBondContact N-O 3.47Å; L67-V190 WeakPolarHBondContact O-CA 3.28Å; L67-V191 PolarHBondContact O-N 3.09Å; L67-L206 HydrophobicContact CB-CD2 4.01Å; L67-L206 HydrophobicContact CD1-CD1 3.96Å; L67-L206 HydrophobicContact CD1-CD2 4.46Å; L67-L206 HydrophobicContact CD2-CD1 4.45Å; L67-V210 HydrophobicContact CD1-CG2 3.77Å
68G90.9Very high92.3Very high0 Ų012.6 Ų12.60%09%0.087CC..  trans146.6170.3174.600000113.9K74 I160G68-K74 PolarHBondContact O-NZ 2.98Å; G68-I160 PolarHBondContact O-N 3.04Å; G68-I160 VanDerWaalsContact O-N 3.13Å
69P87.8Confident92.4Very high16 Ų1616.6 Ų16.610%0.10410%0.102CC..BIsolated β-bridgetrans-66.6169.2-173.427.2-33.5000112.8S72 K74 I160 V191 M203P69-S72 WeakPolarHBondContact O-CB 3.27Å; P69-S72 PolarHBondContact O-N 2.99Å; P69-S72 PolarHBondContact O-OG 3.06Å; P69-S72 VanDerWaalsContact O-OG 3.06Å; P69-K74 PolarHBondContact O-NZ 3.23Å; P69-K74 VanDerWaalsContact O-NZ 3.08Å; P69-I160 CarbonylContact C-O 3.55Å; P69-I160 WeakPolarHBondContact CA-O 3.41Å; P69-V191 WeakPolarHBondContact CD-O 3.25Å; P69-M203 HydrophobicContact CB-CG 4.26Å; P69-M203 HydrophobicContact CB-SD 4.07Å; P69-M203 HydrophobicContact CG-SD 4.36Å
70F84.2Confident92.5Very high36 Ų3617.4 Ų17.416%0.1589%0.092CC..THydrogen-bonded Turntrans-61.8135.2176.3177.9-106.2000113.3S72 P93 E94 P95 I160 M161 K196F70-S72 PolarHBondContact O-N 2.9Å; F70-P93 WeakPolarHBondContact CE1-O 3.38Å; F70-P93 VanDerWaalsContact CZ-O 3.25Å; F70-P93 WeakPolarHBondContact CZ-O 3.47Å; F70-E94 WeakPolarHBondContact CZ-O 3.41Å; F70-P95 HydrophobicContact CD1-CG 4.42Å; F70-P95 HydrophobicContact CD2-CB 4.27Å; F70-P95 HydrophobicContact CD2-CG 4.27Å; F70-P95 HydrophobicContact CE1-CG 4.05Å; F70-P95 HydrophobicContact CE2-CB 3.96Å; F70-P95 HydrophobicContact CE2-CG 3.99Å; F70-P95 HydrophobicContact CZ-CB 4.28Å; F70-P95 HydrophobicContact CZ-CG 3.86Å; F70-I160 PolarHBondContact N-O 2.89Å; F70-M161 HydrophobicContact CB-CG 3.32Å; F70-M161 HydrophobicContact CB-SD 4.06Å; F70-M161 HydrophobicContact CD1-CE 4.32Å; F70-M161 HydrophobicContact CD1-CG 4.46Å; F70-M161 HydrophobicContact CD1-SD 4.27Å; F70-M161 HydrophobicContact CD2-CG 4.45Å; F70-M161 HydrophobicContact CD2-SD 4.18Å; F70-M161 HydrophobicContact CG-CE 4.47Å; F70-M161 HydrophobicContact CG-CG 3.81Å; F70-M161 HydrophobicContact CG-SD 3.84Å; F70-K196 PolarHBondContact O-NZ 3.3Å
71S85Confident92.4Very high38 Ų3818.3 Ų18.327%0.26610%0.095SC..THydrogen-bonded Turntrans65.417.6-177.1-159.20000114.9G73 K223S71-G73 PolarHBondContact O-N 3.42Å; S71-K223 WeakPolarHBondContact O-CE 3.35Å; S71-K223 PolarHBondContact O-NZ 3.43Å
72S89.2Confident92.2Very high0 Ų016.6 Ų16.60%08%0.084CC..SBendtrans-69-14.4175.966.90000114.7P69 F70 V191 N222P69-S72 WeakPolarHBondContact O-CB 3.27Å; P69-S72 PolarHBondContact O-N 2.99Å; P69-S72 PolarHBondContact O-OG 3.06Å; P69-S72 VanDerWaalsContact O-OG 3.06Å; F70-S72 PolarHBondContact O-N 2.9Å; S72-V191 WeakPolarHBondContact CB-O 3.24Å; S72-V191 WeakPolarHBondContact O-CG1 3.35Å; S72-V191 PolarHBondContact OG-O 3.31Å; S72-N222 PolarHBondContact O-ND2 2.83Å
73G91Very high91.9Very high11 Ų1121.8 Ų21.811%0.11311%0.111CC..SBendtrans93.622178.100000115S71 T76 M77S71-G73 PolarHBondContact O-N 3.42Å; G73-T76 PolarHBondContact O-N 3.19Å; G73-M77 VanDerWaalsContact O-CB 3.31Å; G73-M77 WeakPolarHBondContact O-CB 3.16Å; G73-M77 PolarHBondContact O-N 3.07Å
74K93.3Very high91.5Very high9 Ų924.8 Ų24.84%0.03913%0.126CC..Hα-helixtrans-51.8-60.1174-65.3-179.3-62.9-67.10112.5F66 G68 P69 T76 M77 I78 T157 V191F66-K74 HydrophobicContact CB-CB 4.35Å; F66-K74 HydrophobicContact CB-CD 4.24Å; F66-K74 HydrophobicContact CB-CG 4.38Å; F66-K74 HydrophobicContact CD1-CB 4.43Å; G68-K74 PolarHBondContact O-NZ 2.98Å; P69-K74 PolarHBondContact O-NZ 3.23Å; P69-K74 VanDerWaalsContact O-NZ 3.08Å; K74-T76 VanDerWaalsContact C-N 3.28Å; K74-T76 PolarHBondContact O-N 3.17Å; K74-M77 WeakPolarHBondContact O-CB 3.3Å; K74-M77 PolarHBondContact O-N 3.04Å; K74-M77 VanDerWaalsContact O-N 3.07Å; K74-I78 WeakPolarHBondContact O-CG1 3.48Å; K74-I78 PolarHBondContact O-N 2.88Å; K74-T157 WeakPolarHBondContact CE-O 3.47Å; K74-V191 HydrophobicContact CG-CB 4.01Å; K74-V191 HydrophobicContact CG-CG2 3.98Å
75T93.8Very high91.3Very high13 Ų1328.8 Ų28.88%0.0815%0.147CC..Hα-helixtrans-58.1-39.4178.9-50.40000112.4I78 R79 Y86 M89 I91 T97 D156T75-I78 PolarHBondContact O-N 3.17Å; T75-R79 WeakPolarHBondContact O-CB 3.37Å; T75-R79 PolarHBondContact O-N 3.4Å; T75-Y86 HydrophobicContact CG2-CE1 4.28Å; T75-Y86 WeakPolarHBondContact CG2-OH 3.28Å; T75-M89 HydrophobicContact CG2-CB 4.15Å; T75-M89 HydrophobicContact CG2-CE 4.36Å; T75-I91 HydrophobicContact CG2-CD1 4.27Å; T75-I91 HydrophobicContact CG2-CG1 3.72Å; T75-T97 PolarHBondContact OG1-OG1 3.27Å; T75-D156 WeakPolarHBondContact CB-OD2 3.42Å; T75-D156 PolarHBondContact OG1-OD2 3.29Å
76T92.6Very high91.1Very high32 Ų3229 Ų2920%0.19615%0.148CC..Hα-helixtrans-64.6-42175.3-49.60000112.1G73 K74 R79 Y80 W261G73-T76 PolarHBondContact O-N 3.19Å; K74-T76 VanDerWaalsContact C-N 3.28Å; K74-T76 PolarHBondContact O-N 3.17Å; T76-R79 WeakPolarHBondContact O-CB 3.4Å; T76-R79 PolarHBondContact O-N 3.41Å; T76-Y80 WeakPolarHBondContact O-CB 3.35Å; T76-Y80 PolarHBondContact O-N 2.83Å; T76-W261 HydrophobicContact CG2-CB 4Å
77M94.3Very high90.9Very high1 Ų130 Ų301%0.00516%0.155CC..Hα-helixtrans-66.5-39.6177179.3171.8-179.300111.6F66 G73 K74 Y80 M81 V189 V191 V220 F260 L281F66-M77 HydrophobicContact CE1-CB 4.46Å; F66-M77 HydrophobicContact CE1-CE 4.32Å; F66-M77 HydrophobicContact CE1-CG 4.03Å; F66-M77 HydrophobicContact CE1-SD 3.86Å; G73-M77 VanDerWaalsContact O-CB 3.31Å; G73-M77 WeakPolarHBondContact O-CB 3.16Å; G73-M77 PolarHBondContact O-N 3.07Å; K74-M77 WeakPolarHBondContact O-CB 3.3Å; K74-M77 PolarHBondContact O-N 3.04Å; K74-M77 VanDerWaalsContact O-N 3.07Å; M77-Y80 WeakPolarHBondContact O-CB 3.47Å; M77-Y80 PolarHBondContact O-N 2.98Å; M77-M81 HydrophobicContact CE-SD 4.35Å; M77-M81 HydrophobicContact CG-SD 4.39Å; M77-M81 VanDerWaalsContact O-CG 3.31Å; M77-M81 WeakPolarHBondContact O-CG 3.42Å; M77-M81 PolarHBondContact O-N 3.44Å; M77-V189 HydrophobicContact CE-CG1 4.33Å; M77-V189 HydrophobicContact SD-CG1 4.46Å; M77-V191 HydrophobicContact SD-CG2 4.11Å; M77-V220 HydrophobicContact CE-CG1 4.36Å; M77-V220 HydrophobicContact CE-CG2 4.19Å; M77-V220 HydrophobicContact SD-CG1 4.19Å; M77-F260 HydrophobicContact CB-CB 3.93Å; M77-F260 HydrophobicContact CE-CD1 3.97Å; M77-F260 HydrophobicContact CE-CD2 4.22Å; M77-F260 HydrophobicContact CE-CE1 4.08Å; M77-F260 HydrophobicContact CE-CE2 4.36Å; M77-F260 HydrophobicContact CE-CG 4.03Å; M77-F260 HydrophobicContact CE-CZ 4.28Å; M77-F260 HydrophobicContact CG-CB 3.67Å; M77-F260 HydrophobicContact CG-CD1 4.43Å; M77-F260 HydrophobicContact CG-CG 3.96Å; M77-F260 HydrophobicContact SD-CB 4.28Å; M77-F260 HydrophobicContact SD-CD2 4.02Å; M77-F260 HydrophobicContact SD-CG 4.02Å; M77-L281 HydrophobicContact CE-CD2 3.5Å; M77-L281 VanDerWaalsContact CE-CD2 3.5Å
78I94.1Very high90.6Very high0 Ų032.1 Ų32.10%018%0.177CC..Hα-helixtrans-63.3-46.5174.4-67.8170000110.4F66 K74 T75 Y80 M81 L82 Y86 I103 I154 D156F66-I78 HydrophobicContact CB-CD1 4.25Å; F66-I78 HydrophobicContact CD1-CD1 4.29Å; F66-I78 HydrophobicContact CD1-CG1 4.1Å; F66-I78 HydrophobicContact CD2-CD1 3.69Å; F66-I78 HydrophobicContact CD2-CG1 3.79Å; F66-I78 HydrophobicContact CE1-CG1 3.97Å; F66-I78 HydrophobicContact CE2-CD1 4.08Å; F66-I78 HydrophobicContact CE2-CG1 3.66Å; F66-I78 HydrophobicContact CG-CD1 3.81Å; F66-I78 HydrophobicContact CG-CG1 4.02Å; F66-I78 HydrophobicContact CZ-CG1 3.75Å; K74-I78 WeakPolarHBondContact O-CG1 3.48Å; K74-I78 PolarHBondContact O-N 2.88Å; T75-I78 PolarHBondContact O-N 3.17Å; I78-Y80 VanDerWaalsContact C-N 3.3Å; I78-Y80 PolarHBondContact O-N 3.13Å; I78-M81 PolarHBondContact O-N 3.25Å; I78-L82 HydrophobicContact CG2-CD1 3.75Å; I78-L82 HydrophobicContact CG2-CG 4.28Å; I78-L82 WeakPolarHBondContact O-CB 3.19Å; I78-L82 WeakPolarHBondContact O-CG 3.36Å; I78-L82 PolarHBondContact O-N 3.44Å; I78-Y86 HydrophobicContact CB-CE1 4.44Å; I78-Y86 HydrophobicContact CG2-CD1 3.99Å; I78-Y86 HydrophobicContact CG2-CE1 3.76Å; I78-I103 HydrophobicContact CG2-CD1 3.53Å; I78-I154 HydrophobicContact CD1-CG2 3.85Å; I78-I154 HydrophobicContact CG1-CG2 4.06Å; I78-I154 HydrophobicContact CG2-CG2 4.28Å; I78-D156 HydrophobicContact CD1-CB 3.42Å; I78-D156 VanDerWaalsContact CD1-CB 3.42Å; I78-D156 VanDerWaalsContact CD1-CG 3.43Å
79R93Very high90.6Very high88 Ų8833.7 Ų33.733%0.33219%0.185SC..Hα-helixtrans-55-47.2173.8-175.7-168.7-174.4-161.310.1111.6T75 T76 M81 L82 N83 M84 D85 M89T75-R79 WeakPolarHBondContact O-CB 3.37Å; T75-R79 PolarHBondContact O-N 3.4Å; T76-R79 WeakPolarHBondContact O-CB 3.4Å; T76-R79 PolarHBondContact O-N 3.41Å; R79-M81 PolarHBondContact O-N 2.9Å; R79-L82 PolarHBondContact O-N 3.47Å; R79-N83 WeakPolarHBondContact O-CA 3.45Å; R79-N83 PolarHBondContact O-N 2.88Å; R79-M84 PolarHBondContact O-N 3.48Å; R79-D85 IonicContact CZ-OD1 3.82Å; R79-D85 VanDerWaalsContact CZ-OD1 3.25Å; R79-D85 IonicContact NE-OD1 2.76Å; R79-D85 PolarHBondContact NE-OD1 2.88Å; R79-D85 IonicContact NH2-OD1 3.61Å; R79-D85 PolarHBondContact NH2-OD1 3.44Å; R79-D85 IonicContact NH2-OD2 2.7Å; R79-M89 HydrophobicContact CB-CE 3.79Å; R79-M89 HydrophobicContact CB-SD 4.49Å; R79-M89 HydrophobicContact CG-CE 4.06Å; R79-M89 HydrophobicContact CG-SD 4.28Å
80Y90.6Very high90.4Very high61 Ų6135.6 Ų35.624%0.23920%0.199CC..Hα-helixtrans-59.7-43.9176.8174.6-99.5000111.7T76 M77 I78 N83 F260 E278T76-Y80 WeakPolarHBondContact O-CB 3.35Å; T76-Y80 PolarHBondContact O-N 2.83Å; M77-Y80 WeakPolarHBondContact O-CB 3.47Å; M77-Y80 PolarHBondContact O-N 2.98Å; I78-Y80 VanDerWaalsContact C-N 3.3Å; I78-Y80 PolarHBondContact O-N 3.13Å; Y80-N83 PolarHBondContact O-N 3.44Å; Y80-F260 HydrophobicContact CD1-CB 3.96Å; Y80-F260 HydrophobicContact CD1-CD1 4.23Å; Y80-F260 HydrophobicContact CE1-CB 4.46Å; Y80-F260 HydrophobicContact CE1-CD1 4.12Å; Y80-F260 HydrophobicContact CG-CB 4.41Å; Y80-E278 VanDerWaalsContact CE1-OE1 3.27Å; Y80-E278 WeakPolarHBondContact CE1-OE1 3.31Å; Y80-E278 PolarHBondContact OH-OE1 3.06Å
81M89.7Confident90.3Very high33 Ų3337.7 Ų37.716%0.16321%0.211CC..Hα-helixtrans-66.9-38.5177.4-73.6176.660.800113.6L64 F66 M77 I78 R79 N83 I285L64-M81 HydrophobicContact CD2-CE 3.87Å; F66-M81 HydrophobicContact CZ-SD 3.78Å; M77-M81 HydrophobicContact CE-SD 4.35Å; M77-M81 HydrophobicContact CG-SD 4.39Å; M77-M81 VanDerWaalsContact O-CG 3.31Å; M77-M81 WeakPolarHBondContact O-CG 3.42Å; M77-M81 PolarHBondContact O-N 3.44Å; I78-M81 PolarHBondContact O-N 3.25Å; R79-M81 PolarHBondContact O-N 2.9Å; M81-N83 VanDerWaalsContact C-N 3.3Å; M81-I285 HydrophobicContact CE-CD1 3.91Å
82L88.3Confident89.9Confident5 Ų537.2 Ų37.23%0.02621%0.212CC..Hα-helixtrans-78.7-17.9178.7-65.8175.8000112.5I78 R79 M84 Y86 I103 C146 L148 L149 I154I78-L82 HydrophobicContact CG2-CD1 3.75Å; I78-L82 HydrophobicContact CG2-CG 4.28Å; I78-L82 WeakPolarHBondContact O-CB 3.19Å; I78-L82 WeakPolarHBondContact O-CG 3.36Å; I78-L82 PolarHBondContact O-N 3.44Å; R79-L82 PolarHBondContact O-N 3.47Å; L82-M84 HydrophobicContact CB-CG 3.93Å; L82-M84 WeakPolarHBondContact O-CG 3.45Å; L82-M84 PolarHBondContact O-N 2.83Å; L82-Y86 HydrophobicContact CD1-CD1 4.12Å; L82-I103 HydrophobicContact CD1-CD1 4.45Å; L82-I103 HydrophobicContact CD1-CG2 4.14Å; L82-C146 HydrophobicContact CD2-CB 4.34Å; L82-L148 HydrophobicContact CD2-CD2 4.24Å; L82-L149 HydrophobicContact CD2-CD1 4.06Å; L82-L149 HydrophobicContact CD2-CD2 3.83Å; L82-L149 HydrophobicContact CD2-CG 3.79Å; L82-I154 HydrophobicContact CD2-CD1 4.13Å
83N87.9Confident88.8Confident112 Ų11242.8 Ų42.860%0.59925%0.248SC*.THydrogen-bonded Turntrans51.631.1-169.1-166.333.8000112.7R79 Y80 M81R79-N83 WeakPolarHBondContact O-CA 3.45Å; R79-N83 PolarHBondContact O-N 2.88Å; Y80-N83 PolarHBondContact O-N 3.44Å; M81-N83 VanDerWaalsContact C-N 3.3Å
84M89.6Confident87.8Confident63 Ų6349.5 Ų49.531%0.3128%0.276SS..SBendtrans-161.8160.9177.760.1169.325.100111.4R79 L82 C144 C146R79-M84 PolarHBondContact O-N 3.48Å; L82-M84 HydrophobicContact CB-CG 3.93Å; L82-M84 WeakPolarHBondContact O-CG 3.45Å; L82-M84 PolarHBondContact O-N 2.83Å; M84-C144 HydrophobicContact SD-CB 4.08Å; M84-C146 HydrophobicContact SD-CB 3.97Å
85D93Very high86.4Confident85 Ų8551.5 Ų51.546%0.45529%0.29SS..PPolyproline II helixtrans-80.3132.1171.3-61.26000109R79 M89R79-D85 IonicContact CZ-OD1 3.82Å; R79-D85 VanDerWaalsContact CZ-OD1 3.25Å; R79-D85 IonicContact NE-OD1 2.76Å; R79-D85 PolarHBondContact NE-OD1 2.88Å; R79-D85 IonicContact NH2-OD1 3.61Å; R79-D85 PolarHBondContact NH2-OD1 3.44Å; R79-D85 IonicContact NH2-OD2 2.7Å; D85-M89 HydrophobicContact CB-CE 4.46Å; D85-M89 HydrophobicContact CB-CG 4.27Å; D85-M89 HydrophobicContact CB-SD 3.63Å
86Y94.2Very high84.8Confident4 Ų452.4 Ų52.42%0.01630%0.297CS..PPolyproline II helixtrans-92.2148.8170.166.4-99.7000110.6T75 I78 L82 G88 M89 W101 I103 A142 C144 D156T75-Y86 HydrophobicContact CG2-CE1 4.28Å; T75-Y86 WeakPolarHBondContact CG2-OH 3.28Å; I78-Y86 HydrophobicContact CB-CE1 4.44Å; I78-Y86 HydrophobicContact CG2-CD1 3.99Å; I78-Y86 HydrophobicContact CG2-CE1 3.76Å; L82-Y86 HydrophobicContact CD1-CD1 4.12Å; Y86-G88 PolarHBondContact O-N 3.43Å; Y86-M89 HydrophobicContact CD1-CB 4.2Å; Y86-M89 HydrophobicContact CD1-CE 3.17Å; Y86-M89 HydrophobicContact CD2-CB 3.88Å; Y86-M89 HydrophobicContact CE1-CB 3.85Å; Y86-M89 HydrophobicContact CE1-CE 3.21Å; Y86-M89 HydrophobicContact CE2-CB 3.53Å; Y86-M89 HydrophobicContact CG-CB 4.18Å; Y86-M89 HydrophobicContact CG-CE 3.88Å; Y86-M89 VanDerWaalsContact CZ-CB 3.49Å; Y86-M89 WeakPolarHBondContact O-CB 3.28Å; Y86-M89 VanDerWaalsContact O-CG 3.3Å; Y86-M89 WeakPolarHBondContact O-CG 3.42Å; Y86-M89 PolarHBondContact O-N 2.92Å; Y86-M89 VanDerWaalsContact O-N 3.14Å; Y86-W101 HydrophobicContact CE2-CB 4.08Å; Y86-W101 HydrophobicContact CE2-CD2 4.14Å; Y86-W101 AromaticContact CE2-CG 3.87Å; Y86-W101 HydrophobicContact CE2-CG 3.87Å; Y86-I103 HydrophobicContact CD1-CD1 3.53Å; Y86-I103 HydrophobicContact CD1-CG1 4.38Å; Y86-I103 HydrophobicContact CD2-CD1 4.2Å; Y86-I103 HydrophobicContact CD2-CG1 4.28Å; Y86-I103 HydrophobicContact CE1-CD1 3.59Å; Y86-I103 HydrophobicContact CE2-CD1 4.23Å; Y86-I103 HydrophobicContact CE2-CG1 4.49Å; Y86-I103 HydrophobicContact CG-CD1 3.89Å; Y86-I103 HydrophobicContact CG-CG1 4.25Å; Y86-A142 HydrophobicContact CD2-CB 3.94Å; Y86-C144 WeakPolarHBondContact CB-SG 3.24Å; Y86-D156 PolarHBondContact OH-OD2 3.31Å
87P92.8Very high83.6Confident21 Ų2152 Ų5214%0.13630%0.295CS..THydrogen-bonded Turntrans-53.1129.7-179.5-28.233.9000113.4M89 W101 S109 Q110 A111 C144P87-M89 PolarHBondContact O-N 3.39Å; P87-W101 VanDerWaalsContact O-CZ3 3.28Å; P87-W101 WeakPolarHBondContact O-CZ3 3.34Å; P87-S109 WeakPolarHBondContact CD-OG 3.31Å; P87-S109 WeakPolarHBondContact CG-OG 3.21Å; P87-Q110 VanDerWaalsContact CG-C 3.49Å; P87-Q110 VanDerWaalsContact CG-N 3.33Å; P87-A111 HydrophobicContact CB-CB 3.73Å; P87-C144 WeakPolarHBondContact CD-SG 3.48Å
88G88.3Confident82.8Confident47 Ų4755.7 Ų55.749%0.48531%0.314SS..THydrogen-bonded Turntrans76.95.1177.400000115.1Y86 W101Y86-G88 PolarHBondContact O-N 3.43Å; G88-W101 VanDerWaalsContact O-CZ2 3.32Å; G88-W101 WeakPolarHBondContact O-CZ2 3.39Å
89M90.1Very high82.5Confident33 Ų3360.1 Ų60.116%0.16333%0.331CS..  trans-60.6145.3167.176.2161.632.500110.8T75 R79 D85 Y86 P87 I91T75-M89 HydrophobicContact CG2-CB 4.15Å; T75-M89 HydrophobicContact CG2-CE 4.36Å; R79-M89 HydrophobicContact CB-CE 3.79Å; R79-M89 HydrophobicContact CB-SD 4.49Å; R79-M89 HydrophobicContact CG-CE 4.06Å; R79-M89 HydrophobicContact CG-SD 4.28Å; D85-M89 HydrophobicContact CB-CE 4.46Å; D85-M89 HydrophobicContact CB-CG 4.27Å; D85-M89 HydrophobicContact CB-SD 3.63Å; Y86-M89 HydrophobicContact CD1-CB 4.2Å; Y86-M89 HydrophobicContact CD1-CE 3.17Å; Y86-M89 HydrophobicContact CD2-CB 3.88Å; Y86-M89 HydrophobicContact CE1-CB 3.85Å; Y86-M89 HydrophobicContact CE1-CE 3.21Å; Y86-M89 HydrophobicContact CE2-CB 3.53Å; Y86-M89 HydrophobicContact CG-CB 4.18Å; Y86-M89 HydrophobicContact CG-CE 3.88Å; Y86-M89 VanDerWaalsContact CZ-CB 3.49Å; Y86-M89 WeakPolarHBondContact O-CB 3.28Å; Y86-M89 VanDerWaalsContact O-CG 3.3Å; Y86-M89 WeakPolarHBondContact O-CG 3.42Å; Y86-M89 PolarHBondContact O-N 2.92Å; Y86-M89 VanDerWaalsContact O-N 3.14Å; P87-M89 PolarHBondContact O-N 3.39Å; M89-I91 HydrophobicContact SD-CD1 4.35Å
90S83.5Confident82.6Confident56 Ų5656.4 Ų56.439%0.39232%0.318SS..  trans-140.8124.4171.3-175.70000108.4S96S90-S96 VanDerWaalsContact OG-CB 3.24Å; S90-S96 WeakPolarHBondContact OG-CB 3.37Å
91I81.9Confident82.8Confident80 Ų8054.5 Ų54.541%0.4131%0.31SS..  trans-116.3111.5178.1-61.1173.6000106.9T75 M89T75-I91 HydrophobicContact CG2-CD1 4.27Å; T75-I91 HydrophobicContact CG2-CG1 3.72Å; M89-I91 HydrophobicContact SD-CD1 4.35Å
92G76.1Confident83.2Confident28 Ų2852.9 Ų52.929%0.28930%0.302SS..  trans-147.7164.1177.100000112.5E94 S96G92-E94 PolarHBondContact O-N 2.87Å; G92-S96 PolarHBondContact N-OG 2.95Å
93P67.7Low83.6Confident116 Ų11652.7 Ų52.775%0.75330%0.301SS*.SBendtrans-68.2-23.8171.829.3-33.8000111.9F70F70-P93 WeakPolarHBondContact CE1-O 3.38Å; F70-P93 VanDerWaalsContact CZ-O 3.25Å; F70-P93 WeakPolarHBondContact CZ-O 3.47Å
94E68.5Low84Confident152 Ų15248 Ų4871%0.7128%0.276SS*.SBendtrans-90.5157.5175-64.7-174.3173.900112F70 G92 S96F70-E94 WeakPolarHBondContact CZ-O 3.41Å; G92-E94 PolarHBondContact O-N 2.87Å; E94-S96 VanDerWaalsContact C-N 3.33Å; E94-S96 WeakPolarHBondContact O-CB 3.25Å; E94-S96 PolarHBondContact O-N 3.5Å; E94-S96 PolarHBondContact O-OG 2.89Å
95P65.3Low84.3Confident52 Ų5250.2 Ų50.234%0.33828%0.281SS..  trans-55.492176.7-2435.9000112.2F70 M161 M166F70-P95 HydrophobicContact CD1-CG 4.42Å; F70-P95 HydrophobicContact CD2-CB 4.27Å; F70-P95 HydrophobicContact CD2-CG 4.27Å; F70-P95 HydrophobicContact CE1-CG 4.05Å; F70-P95 HydrophobicContact CE2-CB 3.96Å; F70-P95 HydrophobicContact CE2-CG 3.99Å; F70-P95 HydrophobicContact CZ-CB 4.28Å; F70-P95 HydrophobicContact CZ-CG 3.86Å; P95-M161 HydrophobicContact CB-SD 3.9Å; P95-M161 HydrophobicContact CG-CE 3.68Å; P95-M161 HydrophobicContact CG-SD 3.47Å; P95-M161 WeakPolarHBondContact CG-SD 3.5Å; P95-M166 HydrophobicContact CB-CE 3.77Å; P95-M166 HydrophobicContact CB-SD 4.28Å; P95-M166 HydrophobicContact CG-CE 3.67Å; P95-M166 HydrophobicContact CG-SD 4.41Å
96S60.5Low84.3Confident32 Ų3246.2 Ų46.222%0.22426%0.26CS..  trans-98.2-40-168.4210000111.3S90 G92 E94 D98S90-S96 VanDerWaalsContact OG-CB 3.24Å; S90-S96 WeakPolarHBondContact OG-CB 3.37Å; G92-S96 PolarHBondContact N-OG 2.95Å; E94-S96 VanDerWaalsContact C-N 3.33Å; E94-S96 WeakPolarHBondContact O-CB 3.25Å; E94-S96 PolarHBondContact O-N 3.5Å; E94-S96 PolarHBondContact O-OG 2.89Å; S96-D98 PolarHBondContact O-N 3.3Å
97T65.5Low84.2Confident23 Ų2351.2 Ų51.214%0.14129%0.293CS..  trans-86.4102.2174.4-47.40000109.9T75 R99 P158T75-T97 PolarHBondContact OG1-OG1 3.27Å; T97-R99 WeakPolarHBondContact CG2-O 3.29Å; T97-P158 WeakPolarHBondContact O-CB 3.36Å
98D78.6Confident84.3Confident78 Ų7857.4 Ų57.442%0.41732%0.318SS..  trans-101.62.1178.879.4-50.3000113.8S96 K138S96-D98 PolarHBondContact O-N 3.3Å; D98-K138 IonicContact OD2-NZ 2.9Å; D98-K138 PolarHBondContact OD2-NZ 3.47Å
99R88.5Confident84.6Confident93 Ų9358.6 Ų58.635%0.35132%0.319SS..SBendtrans-136.8151.3-174.7-56.8-179.2-166.8-149.52.2111.7T97 N137 K138T97-R99 WeakPolarHBondContact CG2-O 3.29Å; R99-N137 PolarHBondContact NH1-O 2.79Å; R99-K138 CarbonylContact C-O 3.36Å; R99-K138 WeakPolarHBondContact CA-O 3.37Å; R99-K138 VanDerWaalsContact CB-O 3.31Å; R99-K138 WeakPolarHBondContact CB-O 3.47Å; R99-K138 HydrophobicContact CG-CD 4.34Å
100D93.3Very high84.9Confident10 Ų1061.5 Ų61.55%0.05333%0.332CS..EExtended strand (participates in β ladder)trans-73.7129.2165.8-65.3-42.3000109.3Y135 K138 C139 S140 D156 T157 P158D100-Y135 WeakPolarHBondContact OD2-CE2 3.39Å; D100-Y135 VanDerWaalsContact OD2-CZ 3.29Å; D100-Y135 PolarHBondContact OD2-OH 3.05Å; D100-K138 PolarHBondContact N-O 2.78Å; D100-C139 HydrophobicContact CB-CB 4.41Å; D100-C139 CarbonylContact O-C 3.59Å; D100-C139 VanDerWaalsContact O-CA 3.3Å; D100-C139 WeakPolarHBondContact O-CA 3.47Å; D100-S140 PolarHBondContact O-N 3.27Å; D100-D156 CarbonylContact C-O 3.48Å; D100-D156 WeakPolarHBondContact CA-O 3.13Å; D100-T157 WeakPolarHBondContact OD1-CA 3.31Å; D100-T157 WeakPolarHBondContact OD1-CB 3.49Å; D100-P158 WeakPolarHBondContact OD1-CD 3.33Å
101W96Very high85.5Confident21 Ų2161.7 Ų61.78%0.0834%0.337CS..EExtended strand (participates in β ladder)trans-109.5119177.5-73.696.8000110.6Y86 P87 G88 I103 A111 S140 A142 V155 D156Y86-W101 HydrophobicContact CE2-CB 4.08Å; Y86-W101 HydrophobicContact CE2-CD2 4.14Å; Y86-W101 AromaticContact CE2-CG 3.87Å; Y86-W101 HydrophobicContact CE2-CG 3.87Å; P87-W101 VanDerWaalsContact O-CZ3 3.28Å; P87-W101 WeakPolarHBondContact O-CZ3 3.34Å; G88-W101 VanDerWaalsContact O-CZ2 3.32Å; G88-W101 WeakPolarHBondContact O-CZ2 3.39Å; W101-I103 HydrophobicContact CB-CG1 4.42Å; W101-A111 HydrophobicContact CH2-CB 4.22Å; W101-A111 HydrophobicContact CZ3-CB 4.08Å; W101-S140 WeakPolarHBondContact CA-O 3.31Å; W101-A142 HydrophobicContact CE3-CB 3.84Å; W101-A142 HydrophobicContact CZ3-CB 4.21Å; W101-V155 CarbonylContact O-C 3.59Å; W101-V155 VanDerWaalsContact O-CA 3.31Å; W101-V155 WeakPolarHBondContact O-CA 3.38Å; W101-D156 HydrophobicContact CB-CB 4.25Å; W101-D156 PolarHBondContact N-O 3.14Å; W101-D156 PolarHBondContact O-N 2.94Å
102V97.3Very high86.1Confident0 Ų059.4 Ų59.40%033%0.326CS..EExtended strand (participates in β ladder)trans-94.4104171.2-171.60000108.2L104 M114 F123 S140 A141 A142 I153 V155 W181V102-L104 HydrophobicContact CG1-CD1 4.34Å; V102-L104 HydrophobicContact CG1-CD2 4.07Å; V102-L104 HydrophobicContact CG1-CG 4.07Å; V102-M114 HydrophobicContact CB-CE 3.96Å; V102-M114 HydrophobicContact CG2-CE 3.55Å; V102-F123 HydrophobicContact CG1-CE2 4.15Å; V102-F123 HydrophobicContact CG1-CZ 4.42Å; V102-S140 PolarHBondContact N-O 2.89Å; V102-A141 CarbonylContact O-C 3.56Å; V102-A141 VanDerWaalsContact O-CA 3.3Å; V102-A141 WeakPolarHBondContact O-CA 3.33Å; V102-A142 PolarHBondContact O-N 3.42Å; V102-I153 HydrophobicContact CG1-CG2 3.92Å; V102-V155 HydrophobicContact CG1-CG2 4.44Å; V102-V155 HydrophobicContact CG2-CG2 4.39Å; V102-W181 HydrophobicContact CG2-CH2 3.5Å; V102-W181 VanDerWaalsContact CG2-CH2 3.5Å; V102-W181 HydrophobicContact CG2-CZ2 3.73Å
103I97.3Very high87Confident0 Ų060.8 Ų60.80%033%0.331CS..EExtended strand (participates in β ladder)trans-92.4117.4-175.1-49.4169.1000108.5I78 L82 Y86 W101 A142 L149 I154I78-I103 HydrophobicContact CG2-CD1 3.53Å; L82-I103 HydrophobicContact CD1-CD1 4.45Å; L82-I103 HydrophobicContact CD1-CG2 4.14Å; Y86-I103 HydrophobicContact CD1-CD1 3.53Å; Y86-I103 HydrophobicContact CD1-CG1 4.38Å; Y86-I103 HydrophobicContact CD2-CD1 4.2Å; Y86-I103 HydrophobicContact CD2-CG1 4.28Å; Y86-I103 HydrophobicContact CE1-CD1 3.59Å; Y86-I103 HydrophobicContact CE2-CD1 4.23Å; Y86-I103 HydrophobicContact CE2-CG1 4.49Å; Y86-I103 HydrophobicContact CG-CD1 3.89Å; Y86-I103 HydrophobicContact CG-CG1 4.25Å; W101-I103 HydrophobicContact CB-CG1 4.42Å; I103-A142 CarbonylContact C-O 3.35Å; I103-A142 WeakPolarHBondContact CA-O 3.23Å; I103-A142 HydrophobicContact CG1-CB 4.36Å; I103-L149 HydrophobicContact CG2-CD1 3.72Å; I103-L149 HydrophobicContact CG2-CD2 3.95Å; I103-I154 HydrophobicContact CB-CB 4.2Å; I103-I154 HydrophobicContact CD1-CB 4.29Å; I103-I154 HydrophobicContact CD1-CG2 4.1Å; I103-I154 PolarHBondContact N-O 3.5Å; I103-I154 PolarHBondContact O-N 3.46Å
104L96.6Very high88.4Confident15 Ų1555.2 Ų55.28%0.07930%0.296CS..EExtended strand (participates in β ladder)trans-123.4154.8-171.5-62.4167.2000110V102 F123 A141 A142 Y143 C144 I153V102-L104 HydrophobicContact CG1-CD1 4.34Å; V102-L104 HydrophobicContact CG1-CD2 4.07Å; V102-L104 HydrophobicContact CG1-CG 4.07Å; L104-F123 HydrophobicContact CD1-CD2 4.18Å; L104-F123 HydrophobicContact CD1-CE2 4.02Å; L104-A141 HydrophobicContact CD1-CB 4.3Å; L104-A142 PolarHBondContact N-O 2.88Å; L104-Y143 HydrophobicContact CB-CD1 3.92Å; L104-Y143 HydrophobicContact CB-CE1 3.93Å; L104-Y143 HydrophobicContact CD1-CE1 3.81Å; L104-Y143 HydrophobicContact CD1-CE2 4.48Å; L104-Y143 CarbonylContact O-C 3.55Å; L104-Y143 VanDerWaalsContact O-CA 3.31Å; L104-Y143 WeakPolarHBondContact O-CA 3.38Å; L104-C144 PolarHBondContact O-N 2.92Å; L104-I153 HydrophobicContact CD2-CB 4.31Å; L104-I153 HydrophobicContact CD2-CD1 3.83Å; L104-I153 HydrophobicContact CD2-CG1 3.79Å; L104-I153 HydrophobicContact CD2-CG2 3.7Å
105W94.8Very high89.7Confident108 Ų10850.9 Ų50.941%0.40928%0.275SS..EExtended strand (participates in β ladder)trans-69.1137.5168.7179.681.3000110.8Y143 L149 R150W105-Y143 WeakPolarHBondContact O-CD1 3.43Å; W105-L149 HydrophobicContact CB-CB 3.78Å; W105-L149 WeakPolarHBondContact CB-O 3.39Å; W105-R150 HydrophobicContact CB-CG 4.49Å; W105-R150 VanDerWaalsContact CD1-CG 3.4Å; W105-R150 HydrophobicContact CD2-CG 4.11Å; W105-R150 HydrophobicContact CG-CG 3.76Å
106G93.4Very high91.1Very high2 Ų253 Ų532%0.02129%0.287CS..  trans-157.7160.8168.400000111.7K108 C144 P145G106-K108 PolarHBondContact O-N 2.56Å; G106-C144 PolarHBondContact N-O 2.9Å; G106-C144 CarbonylContact O-C 3.52Å; G106-P145 WeakPolarHBondContact O-CA 3.37Å; G106-P145 WeakPolarHBondContact O-CB 3.23Å; G106-P145 VanDerWaalsContact O-N 3.15Å
107P92.9Very high92.7Very high109 Ų10951.7 Ų51.771%0.70828%0.278SS*.SBendtrans-69.2-15.9-175.528.7-36.1000113.5
108K94Very high94.1Very high151 Ų15150.8 Ų50.866%0.65727%0.272SS*.SBendtrans-137.8147.1-179-66.2-176.1179.8179.40109.8G106 Q110 Y143G106-K108 PolarHBondContact O-N 2.56Å; K108-Q110 PolarHBondContact O-N 2.98Å; K108-Y143 CarbonylContact O-C 3.54Å; K108-Y143 VanDerWaalsContact O-O 3.09Å
109S94.6Very high94.7Very high71 Ų7153.7 Ų53.750%0.49728%0.283SS..  trans-71.6106.9172.1-163.20000109.2P87 Y143P87-S109 WeakPolarHBondContact CD-OG 3.31Å; P87-S109 WeakPolarHBondContact CG-OG 3.21Å; S109-Y143 CarbonylContact C-O 3.46Å; S109-Y143 WeakPolarHBondContact CA-O 3.47Å
110Q95.9Very high94.8Very high95 Ų9552.2 Ų52.244%0.44428%0.282SS..EExtended strand (participates in β ladder)trans-148.5140.3179.762.9179.817.700113P87 K108 V112 Y143P87-Q110 VanDerWaalsContact CG-C 3.49Å; P87-Q110 VanDerWaalsContact CG-N 3.33Å; K108-Q110 PolarHBondContact O-N 2.98Å; Q110-V112 HydrophobicContact CG-CG2 4.15Å; Q110-Y143 HydrophobicContact CG-CD2 4.2Å; Q110-Y143 HydrophobicContact CG-CG 4.36Å; Q110-Y143 PolarHBondContact N-O 3.39Å; Q110-Y143 PolarHBondContact O-N 3.39Å
111A96.1Very high94.7Very high59 Ų5956.4 Ų56.449%0.48831%0.312SS..EExtended strand (participates in β ladder)trans-91132.8168.800000109.4P87 W101 A141P87-A111 HydrophobicContact CB-CB 3.73Å; W101-A111 HydrophobicContact CH2-CB 4.22Å; W101-A111 HydrophobicContact CZ3-CB 4.08Å; A111-A141 CarbonylContact C-O 3.52Å; A111-A141 WeakPolarHBondContact CA-O 3.31Å
112V95.8Very high94.4Very high33 Ų3359.3 Ų59.320%0.234%0.336CS..EExtended strand (participates in β ladder)trans-128.2138.3179.6-173.90000109.1Q110 T116 V117 A141 Y143Q110-V112 HydrophobicContact CG-CG2 4.15Å; V112-T116 HydrophobicContact CG1-CG2 4.43Å; V112-V117 HydrophobicContact CB-CG2 4.02Å; V112-V117 HydrophobicContact CG1-CG2 3.67Å; V112-A141 PolarHBondContact N-O 3.02Å; V112-A141 PolarHBondContact O-N 3.14Å; V112-Y143 HydrophobicContact CB-CD2 4.34Å; V112-Y143 HydrophobicContact CB-CE2 4.02Å; V112-Y143 HydrophobicContact CG2-CD2 3.72Å; V112-Y143 HydrophobicContact CG2-CE2 3.75Å
113S95.3Very high94.2Very high56 Ų5659.6 Ų59.639%0.39234%0.337SS..EExtended strand (participates in β ladder)trans-59.9135.4175.5179.40000110.9H115 T116 V117S113-H115 PolarHBondContact O-N 3Å; S113-H115 PolarHBondContact OG-N 3.21Å; S113-T116 PolarHBondContact O-N 3.03Å; S113-V117 PolarHBondContact O-N 2.89Å
114M95.9Very high94Very high0 Ų060 Ų600%034%0.339CS..Hα-helixtrans-63.3-28.1178.4-168.854.867.200112.1V102 T116 V117 V118 F123 I128 L136 C139 A141V102-M114 HydrophobicContact CB-CE 3.96Å; V102-M114 HydrophobicContact CG2-CE 3.55Å; M114-T116 PolarHBondContact O-N 2.68Å; M114-V117 PolarHBondContact O-N 3.41Å; M114-V117 VanDerWaalsContact O-N 3.17Å; M114-V117 HydrophobicContact SD-CB 4.03Å; M114-V117 HydrophobicContact SD-CG1 4.22Å; M114-V118 HydrophobicContact CG-CG1 3.87Å; M114-V118 WeakPolarHBondContact O-CG1 3.16Å; M114-V118 WeakPolarHBondContact O-CG2 3.35Å; M114-V118 PolarHBondContact O-N 2.92Å; M114-V118 HydrophobicContact SD-CG1 3.88Å; M114-F123 HydrophobicContact CE-CZ 4.36Å; M114-F123 HydrophobicContact SD-CE1 4.03Å; M114-F123 HydrophobicContact SD-CZ 4.03Å; M114-I128 HydrophobicContact CG-CG2 4.45Å; M114-L136 HydrophobicContact CB-CD2 4.2Å; M114-L136 HydrophobicContact CG-CD2 3.7Å; M114-C139 HydrophobicContact CB-CB 4.2Å; M114-C139 WeakPolarHBondContact CB-O 3.45Å; M114-C139 HydrophobicContact CG-CB 4.21Å; M114-A141 HydrophobicContact CE-CB 4.15Å
115H95.4Very high93.9Very high61 Ų6159.3 Ų59.328%0.28234%0.336SS..Hα-helixtrans-54.5-34.1171.5-71.7-88000113.2S113 H119 L136 N137S113-H115 PolarHBondContact O-N 3Å; S113-H115 PolarHBondContact OG-N 3.21Å; H115-H119 PolarHBondContact O-CD2 2.93Å; H115-L136 WeakPolarHBondContact NE2-CB 3.41Å; H115-N137 PolarHBondContact NE2-OD1 3.4Å
116T95.3Very high93.7Very high95 Ų9557.2 Ų57.258%0.58333%0.33SS*.Hα-helixtrans-81.8-41.3178.2-52.50000111V112 S113 M114 H119V112-T116 HydrophobicContact CG1-CG2 4.43Å; S113-T116 PolarHBondContact O-N 3.03Å; M114-T116 PolarHBondContact O-N 2.68Å; T116-H119 PolarHBondContact O-N 3.48Å
117V95Very high93.5Very high5 Ų558.3 Ų58.33%0.0334%0.335CS..Hα-helixtrans-70.3-35.1-173.2177.70000112.6V112 S113 M114 H119 D120 F123 A141 Y143V112-V117 HydrophobicContact CB-CG2 4.02Å; V112-V117 HydrophobicContact CG1-CG2 3.67Å; S113-V117 PolarHBondContact O-N 2.89Å; M114-V117 PolarHBondContact O-N 3.41Å; M114-V117 VanDerWaalsContact O-N 3.17Å; M114-V117 HydrophobicContact SD-CB 4.03Å; M114-V117 HydrophobicContact SD-CG1 4.22Å; V117-H119 PolarHBondContact O-N 3.37Å; V117-H119 VanDerWaalsContact O-N 3.12Å; V117-D120 WeakPolarHBondContact O-CB 3.34Å; V117-D120 PolarHBondContact O-N 2.95Å; V117-F123 HydrophobicContact CG1-CB 4.18Å; V117-F123 HydrophobicContact CG1-CD1 3.92Å; V117-F123 HydrophobicContact CG1-CD2 3.63Å; V117-F123 HydrophobicContact CG1-CE1 4.14Å; V117-F123 HydrophobicContact CG1-CE2 3.91Å; V117-F123 HydrophobicContact CG1-CG 3.65Å; V117-F123 HydrophobicContact CG1-CZ 4.14Å; V117-A141 HydrophobicContact CB-CB 4.41Å; V117-A141 HydrophobicContact CG1-CB 4.36Å; V117-A141 HydrophobicContact CG2-CB 3.7Å; V117-Y143 HydrophobicContact CG2-CE2 4.22Å
118V93.2Very high93.4Very high5 Ų553.1 Ų53.13%0.0330%0.301CS..THydrogen-bonded Turntrans-64.6-15.8178.8-65.60000114.1M114 F123 Q126 I128 Y129 L136M114-V118 HydrophobicContact CG-CG1 3.87Å; M114-V118 WeakPolarHBondContact O-CG1 3.16Å; M114-V118 WeakPolarHBondContact O-CG2 3.35Å; M114-V118 PolarHBondContact O-N 2.92Å; M114-V118 HydrophobicContact SD-CG1 3.88Å; V118-F123 HydrophobicContact CG1-CE1 4.41Å; V118-Q126 WeakPolarHBondContact O-CB 3.4Å; V118-Q126 VanDerWaalsContact O-CG 3.29Å; V118-Q126 WeakPolarHBondContact O-CG 3.32Å; V118-I128 HydrophobicContact CG1-CB 4.39Å; V118-Y129 HydrophobicContact CG2-CD2 4.11Å; V118-L136 HydrophobicContact CG1-CD2 4.09Å
119H91.1Very high93.2Very high138 Ų13852.4 Ų52.464%0.63930%0.295SS*.THydrogen-bonded Turntrans-92.8-5.7174.9-65.4-55.8000113.2H115 T116 V117 S121H115-H119 PolarHBondContact O-CD2 2.93Å; T116-H119 PolarHBondContact O-N 3.48Å; V117-H119 PolarHBondContact O-N 3.37Å; V117-H119 VanDerWaalsContact O-N 3.12Å; H119-S121 PolarHBondContact O-N 3.23Å
120D92Very high92.9Very high63 Ų6354.5 Ų54.534%0.33729%0.293SS..  trans-76.6118.1174.3-172.4-19.1000110.1V117 S122 F123 Q126V117-D120 WeakPolarHBondContact O-CB 3.34Å; V117-D120 PolarHBondContact O-N 2.95Å; D120-S122 PolarHBondContact O-N 2.98Å; D120-S122 VanDerWaalsContact O-N 3.1Å; D120-S122 WeakPolarHBondContact OD1-CB 3.47Å; D120-S122 PolarHBondContact OD1-N 3.42Å; D120-S122 PolarHBondContact OD1-OG 2.84Å; D120-S122 PolarHBondContact OD2-OG 3.4Å; D120-S122 VanDerWaalsContact OD2-OG 3.1Å; D120-F123 HydrophobicContact CB-CB 4.25Å; D120-F123 WeakPolarHBondContact O-CB 3.35Å; D120-F123 PolarHBondContact O-N 2.93Å; D120-Q126 PolarHBondContact O-NE2 3.43Å; D120-Q126 VanDerWaalsContact O-NE2 3.07Å
121S89.8Confident92.6Very high98 Ų9851.9 Ų51.969%0.68528%0.28SS*.THydrogen-bonded Turntrans-57.3-23.6177.362.50000114.4A56 H119 Q126A56-S121 WeakPolarHBondContact CB-O 3.48Å; H119-S121 PolarHBondContact O-N 3.23Å; S121-Q126 PolarHBondContact O-NE2 2.97Å
122S90.7Very high92.3Very high82 Ų8250.4 Ų50.457%0.57327%0.271SS*.THydrogen-bonded Turntrans-83-15.517872.90000113.3D120D120-S122 PolarHBondContact O-N 2.98Å; D120-S122 VanDerWaalsContact O-N 3.1Å; D120-S122 WeakPolarHBondContact OD1-CB 3.47Å; D120-S122 PolarHBondContact OD1-N 3.42Å; D120-S122 PolarHBondContact OD1-OG 2.84Å; D120-S122 PolarHBondContact OD2-OG 3.4Å; D120-S122 VanDerWaalsContact OD2-OG 3.1Å
123F93.8Very high92.1Very high6 Ų650.5 Ų50.53%0.02628%0.278CS..  trans-76.7127.3178.2-175.9-119.6000110.1V102 L104 M114 V117 V118 D120 Y125 Q126 I128V102-F123 HydrophobicContact CG1-CE2 4.15Å; V102-F123 HydrophobicContact CG1-CZ 4.42Å; L104-F123 HydrophobicContact CD1-CD2 4.18Å; L104-F123 HydrophobicContact CD1-CE2 4.02Å; M114-F123 HydrophobicContact CE-CZ 4.36Å; M114-F123 HydrophobicContact SD-CE1 4.03Å; M114-F123 HydrophobicContact SD-CZ 4.03Å; V117-F123 HydrophobicContact CG1-CB 4.18Å; V117-F123 HydrophobicContact CG1-CD1 3.92Å; V117-F123 HydrophobicContact CG1-CD2 3.63Å; V117-F123 HydrophobicContact CG1-CE1 4.14Å; V117-F123 HydrophobicContact CG1-CE2 3.91Å; V117-F123 HydrophobicContact CG1-CG 3.65Å; V117-F123 HydrophobicContact CG1-CZ 4.14Å; V118-F123 HydrophobicContact CG1-CE1 4.41Å; D120-F123 HydrophobicContact CB-CB 4.25Å; D120-F123 WeakPolarHBondContact O-CB 3.35Å; D120-F123 PolarHBondContact O-N 2.93Å; F123-Y125 WeakPolarHBondContact CE1-O 3.42Å; F123-Y125 AromaticContact CE2-CD2 3.97Å; F123-Y125 HydrophobicContact CE2-CD2 3.97Å; F123-Y125 AromaticContact CZ-CD2 3.9Å; F123-Y125 HydrophobicContact CZ-CD2 3.9Å; F123-Y125 HydrophobicContact CZ-CG 4.32Å; F123-Y125 PolarHBondContact O-N 3.15Å; F123-Q126 HydrophobicContact CB-CG 4.46Å; F123-Q126 HydrophobicContact CD1-CG 4.25Å; F123-Q126 VanDerWaalsContact O-CG 3.29Å; F123-Q126 WeakPolarHBondContact O-CG 3.34Å; F123-Q126 PolarHBondContact O-NE2 3.08Å; F123-I128 HydrophobicContact CE1-CD1 4.3Å; F123-I128 HydrophobicContact CZ-CD1 4.33Å
124P92.7Very high91.8Very high7 Ų752.7 Ų52.75%0.04528%0.282CS..THydrogen-bonded Turntrans-80.2-11.2-175.129.8-36.6000114.9C54 A56 E57 I153C54-P124 PolarHBondContact SG-O 2.74Å; A56-P124 HydrophobicContact CB-CB 4.37Å; E57-P124 HydrophobicContact CB-CB 4.24Å; P124-I153 HydrophobicContact CG-CD1 3.98Å
125Y93.7Very high91.6Very high2 Ų252.7 Ų52.71%0.00828%0.282CS..THydrogen-bonded Turntrans-117.436-173-46.5-61.8000112.8L63 F123 E127 I128 I153 W181 K184L63-Y125 HydrophobicContact CD1-CD2 4.25Å; L63-Y125 HydrophobicContact CD1-CE1 4Å; L63-Y125 HydrophobicContact CD1-CE2 3.47Å; L63-Y125 VanDerWaalsContact CD1-CE2 3.47Å; L63-Y125 WeakPolarHBondContact CD1-OH 3.36Å; F123-Y125 WeakPolarHBondContact CE1-O 3.42Å; F123-Y125 AromaticContact CE2-CD2 3.97Å; F123-Y125 HydrophobicContact CE2-CD2 3.97Å; F123-Y125 AromaticContact CZ-CD2 3.9Å; F123-Y125 HydrophobicContact CZ-CD2 3.9Å; F123-Y125 HydrophobicContact CZ-CG 4.32Å; F123-Y125 PolarHBondContact O-N 3.15Å; Y125-E127 PolarHBondContact O-N 3.22Å; Y125-E127 VanDerWaalsContact O-N 3.1Å; Y125-I128 WeakPolarHBondContact O-CB 3.21Å; Y125-I128 WeakPolarHBondContact O-CD1 3.15Å; Y125-I128 WeakPolarHBondContact O-CG1 3.12Å; Y125-I128 PolarHBondContact O-N 3.17Å; Y125-I128 VanDerWaalsContact O-N 3.12Å; Y125-I153 HydrophobicContact CE2-CD1 3.77Å; Y125-I153 HydrophobicContact CE2-CG2 4.23Å; Y125-W181 HydrophobicContact CD2-CH2 4.38Å; Y125-W181 HydrophobicContact CD2-CZ3 4.04Å; Y125-W181 HydrophobicContact CG-CZ3 4.11Å; Y125-K184 HydrophobicContact CD1-CB 4.26Å; Y125-K184 HydrophobicContact CD1-CD 4.26Å; Y125-K184 HydrophobicContact CD1-CG 4.09Å; Y125-K184 HydrophobicContact CE1-CB 3.97Å; Y125-K184 HydrophobicContact CE1-CD 4.33Å; Y125-K184 HydrophobicContact CE1-CG 4.23Å
126Q91.4Very high91.5Very high63 Ų6349.8 Ų49.829%0.29427%0.269SS..G310 helixtrans-55.6-30.2-179-61.8170.526.600112.6V118 D120 S121 F123 I128 Y129V118-Q126 WeakPolarHBondContact O-CB 3.4Å; V118-Q126 VanDerWaalsContact O-CG 3.29Å; V118-Q126 WeakPolarHBondContact O-CG 3.32Å; D120-Q126 PolarHBondContact O-NE2 3.43Å; D120-Q126 VanDerWaalsContact O-NE2 3.07Å; S121-Q126 PolarHBondContact O-NE2 2.97Å; F123-Q126 HydrophobicContact CB-CG 4.46Å; F123-Q126 HydrophobicContact CD1-CG 4.25Å; F123-Q126 VanDerWaalsContact O-CG 3.29Å; F123-Q126 WeakPolarHBondContact O-CG 3.34Å; F123-Q126 PolarHBondContact O-NE2 3.08Å; Q126-I128 PolarHBondContact O-N 3.22Å; Q126-Y129 PolarHBondContact O-N 2.99Å; Q126-Y129 VanDerWaalsContact O-N 3.16Å
127E88.5Confident91.3Very high25 Ų2549 Ų4912%0.11726%0.261CS..G310 helixtrans-55.7-19.8178-62167.1-176.700114.6P51 Y125 Y129 R130 Y180 K184P51-E127 HydrophobicContact CB-CB 4.43Å; P51-E127 HydrophobicContact CB-CG 3.74Å; P51-E127 HydrophobicContact CG-CB 3.76Å; P51-E127 HydrophobicContact CG-CG 3.48Å; P51-E127 VanDerWaalsContact CG-CG 3.48Å; P51-E127 WeakPolarHBondContact CG-OE2 3.46Å; Y125-E127 PolarHBondContact O-N 3.22Å; Y125-E127 VanDerWaalsContact O-N 3.1Å; E127-Y129 PolarHBondContact O-N 3.5Å; E127-Y129 VanDerWaalsContact O-N 3.09Å; E127-R130 WeakPolarHBondContact O-CB 3.34Å; E127-R130 WeakPolarHBondContact O-CD 3.37Å; E127-R130 WeakPolarHBondContact O-CG 3.45Å; E127-R130 PolarHBondContact O-N 3.11Å; E127-Y180 HydrophobicContact CB-CE2 4.2Å; E127-Y180 WeakPolarHBondContact OE2-CE2 3.37Å; E127-K184 IonicContact OE1-NZ 3.53Å; E127-K184 PolarHBondContact OE1-NZ 3.04Å; E127-K184 WeakPolarHBondContact OE2-CE 3.44Å; E127-K184 IonicContact OE2-NZ 2.75Å; E127-K184 PolarHBondContact OE2-NZ 3.17Å; E127-K184 VanDerWaalsContact OE2-NZ 3.14Å
128I91Very high91.1Very high0 Ų052.4 Ų52.40%028%0.275CS..G310 helixtrans-53.4-29.5175.1-71.1166.5000111.8M114 V118 F123 Y125 Q126 R130 F131 Y135 L136 Y180 W181M114-I128 HydrophobicContact CG-CG2 4.45Å; V118-I128 HydrophobicContact CG1-CB 4.39Å; F123-I128 HydrophobicContact CE1-CD1 4.3Å; F123-I128 HydrophobicContact CZ-CD1 4.33Å; Y125-I128 WeakPolarHBondContact O-CB 3.21Å; Y125-I128 WeakPolarHBondContact O-CD1 3.15Å; Y125-I128 WeakPolarHBondContact O-CG1 3.12Å; Y125-I128 PolarHBondContact O-N 3.17Å; Y125-I128 VanDerWaalsContact O-N 3.12Å; Q126-I128 PolarHBondContact O-N 3.22Å; I128-R130 PolarHBondContact O-N 3.34Å; I128-F131 WeakPolarHBondContact O-CD2 3.44Å; I128-F131 PolarHBondContact O-N 3.14Å; I128-Y135 HydrophobicContact CG2-CD1 3.84Å; I128-Y135 HydrophobicContact CG2-CE1 3.54Å; I128-L136 HydrophobicContact CG2-CD2 3.82Å; I128-Y180 HydrophobicContact CD1-CE1 4.04Å; I128-Y180 HydrophobicContact CG1-CD1 4.22Å; I128-Y180 HydrophobicContact CG1-CE1 3.35Å; I128-W181 HydrophobicContact CD1-CH2 3.28Å; I128-W181 HydrophobicContact CD1-CZ2 3.4Å; I128-W181 HydrophobicContact CD1-CZ3 4.18Å; I128-W181 HydrophobicContact CG1-CH2 4.38Å; I128-W181 HydrophobicContact CG1-CZ2 4.28Å
129Y89.6Confident91.2Very high136 Ų13652.1 Ų52.153%0.53327%0.274SS..G310 helixtrans-52.1-27.8175.9-176-90.5000113.5V118 Q126 E127 F131 G132 L136V118-Y129 HydrophobicContact CG2-CD2 4.11Å; Q126-Y129 PolarHBondContact O-N 2.99Å; Q126-Y129 VanDerWaalsContact O-N 3.16Å; E127-Y129 PolarHBondContact O-N 3.5Å; E127-Y129 VanDerWaalsContact O-N 3.09Å; Y129-F131 PolarHBondContact O-N 2.91Å; Y129-F131 VanDerWaalsContact O-N 3.15Å; Y129-G132 PolarHBondContact O-N 2.77Å; Y129-L136 HydrophobicContact CD2-CD1 3.59Å; Y129-L136 HydrophobicContact CE2-CD1 4.08Å; Y129-L136 HydrophobicContact CG-CD1 4.4Å
130R88.5Confident91.4Very high116 Ų11646.1 Ų46.144%0.43825%0.247SC..G310 helixtrans-61.3-22.417979.9-170.1177.9154.1-4.5114.4E127 I128 G132E127-R130 WeakPolarHBondContact O-CB 3.34Å; E127-R130 WeakPolarHBondContact O-CD 3.37Å; E127-R130 WeakPolarHBondContact O-CG 3.45Å; E127-R130 PolarHBondContact O-N 3.11Å; I128-R130 PolarHBondContact O-N 3.34Å; R130-G132 PolarHBondContact O-N 2.96Å
131F90.3Very high91.6Very high39 Ų3943.1 Ų43.117%0.17123%0.231CC..G310 helixtrans-78.4-2.3176.6-64.7-67.3000112.7I128 Y129 Y135 A176 V177 Y180I128-F131 WeakPolarHBondContact O-CD2 3.44Å; I128-F131 PolarHBondContact O-N 3.14Å; Y129-F131 PolarHBondContact O-N 2.91Å; Y129-F131 VanDerWaalsContact O-N 3.15Å; F131-Y135 HydrophobicContact CB-CD1 3.59Å; F131-Y135 HydrophobicContact CB-CG 3.84Å; F131-Y135 HydrophobicContact CD2-CD1 4.05Å; F131-Y135 HydrophobicContact CD2-CE1 4.24Å; F131-Y135 HydrophobicContact CG-CD1 4.12Å; F131-A176 HydrophobicContact CE1-CB 3.91Å; F131-V177 HydrophobicContact CB-CG2 4.33Å; F131-V177 HydrophobicContact CD1-CG2 3.67Å; F131-V177 HydrophobicContact CD2-CG2 4Å; F131-V177 HydrophobicContact CE1-CG2 3.86Å; F131-V177 HydrophobicContact CE2-CG2 4.18Å; F131-V177 HydrophobicContact CG-CG2 3.74Å; F131-V177 HydrophobicContact CZ-CG2 4.1Å; F131-Y180 AromaticContact CE2-CD1 3.98Å; F131-Y180 HydrophobicContact CE2-CD1 3.98Å; F131-Y180 HydrophobicContact CE2-CD2 4.36Å; F131-Y180 AromaticContact CE2-CG 3.79Å; F131-Y180 HydrophobicContact CE2-CG 3.79Å; F131-Y180 HydrophobicContact CZ-CG 4.06Å
132G89.5Confident92Very high29 Ų2938.4 Ų38.430%0.29920%0.199SC..Hα-helixtrans83.8169.8173.500000114.2Y129 R130 E134 Y135 L136Y129-G132 PolarHBondContact O-N 2.77Å; R130-G132 PolarHBondContact O-N 2.96Å; G132-E134 VanDerWaalsContact C-N 3.25Å; G132-E134 PolarHBondContact O-N 2.78Å; G132-Y135 PolarHBondContact O-N 2.82Å; G132-L136 WeakPolarHBondContact O-CG 3.26Å; G132-L136 PolarHBondContact O-N 2.94Å; G132-L136 VanDerWaalsContact O-N 3.14Å
133G90.6Very high92.3Very high35 Ų3536.4 Ų36.436%0.36118%0.178SC..Hα-helixtrans-60.6-31.5-175.900000114.2L136 N137G133-L136 PolarHBondContact O-N 2.75Å; G133-N137 PolarHBondContact O-N 2.9Å; G133-N137 PolarHBondContact O-ND2 3.25Å
134E89.4Confident92.3Very high101 Ų10136.1 Ų36.147%0.47218%0.177SC..Hα-helixtrans-61.4-44.6176.9-67.7-57.6142.600112.1G132G132-E134 VanDerWaalsContact C-N 3.25Å; G132-E134 PolarHBondContact O-N 2.78Å
135Y92.5Very high92.3Very high0 Ų038.8 Ų38.80%020%0.195CC..Hα-helixtrans-70.5-40.7174.8179.1-113.8000111.7D100 I128 F131 G132 N137 K138 C139 Y172 V177 W181D100-Y135 WeakPolarHBondContact OD2-CE2 3.39Å; D100-Y135 VanDerWaalsContact OD2-CZ 3.29Å; D100-Y135 PolarHBondContact OD2-OH 3.05Å; I128-Y135 HydrophobicContact CG2-CD1 3.84Å; I128-Y135 HydrophobicContact CG2-CE1 3.54Å; F131-Y135 HydrophobicContact CB-CD1 3.59Å; F131-Y135 HydrophobicContact CB-CG 3.84Å; F131-Y135 HydrophobicContact CD2-CD1 4.05Å; F131-Y135 HydrophobicContact CD2-CE1 4.24Å; F131-Y135 HydrophobicContact CG-CD1 4.12Å; G132-Y135 PolarHBondContact O-N 2.82Å; Y135-N137 PolarHBondContact O-N 3.37Å; Y135-K138 CarbonylContact O-C 3.57Å; Y135-K138 VanDerWaalsContact O-C 3.27Å; Y135-K138 VanDerWaalsContact O-CA 3.27Å; Y135-K138 WeakPolarHBondContact O-CA 3.4Å; Y135-K138 WeakPolarHBondContact O-CB 3.28Å; Y135-K138 PolarHBondContact O-N 2.73Å; Y135-C139 HydrophobicContact CE1-CB 4.07Å; Y135-C139 HydrophobicContact CE2-CB 4.45Å; Y135-C139 PolarHBondContact O-N 2.95Å; Y135-C139 VanDerWaalsContact O-N 3.09Å; Y135-Y172 HydrophobicContact CD2-CD1 4.27Å; Y135-Y172 AromaticContact CD2-CD2 3.63Å; Y135-Y172 HydrophobicContact CD2-CD2 3.63Å; Y135-Y172 HydrophobicContact CD2-CE1 4.33Å; Y135-Y172 AromaticContact CD2-CE2 3.71Å; Y135-Y172 HydrophobicContact CD2-CE2 3.71Å; Y135-Y172 AromaticContact CD2-CG 3.95Å; Y135-Y172 HydrophobicContact CD2-CG 3.95Å; Y135-Y172 HydrophobicContact CE2-CD2 4.38Å; Y135-Y172 HydrophobicContact CE2-CE2 4.08Å; Y135-Y172 HydrophobicContact CG-CD2 4.39Å; Y135-Y172 HydrophobicContact CG-CG 4.47Å; Y135-V177 HydrophobicContact CD1-CG2 4.17Å; Y135-V177 HydrophobicContact CD2-CG1 4.3Å; Y135-V177 HydrophobicContact CD2-CG2 3.79Å; Y135-V177 HydrophobicContact CE1-CG1 4.06Å; Y135-V177 HydrophobicContact CE1-CG2 4.12Å; Y135-V177 HydrophobicContact CE2-CB 4.21Å; Y135-V177 HydrophobicContact CE2-CG1 3.45Å; Y135-V177 VanDerWaalsContact CE2-CG1 3.45Å; Y135-V177 HydrophobicContact CE2-CG2 3.79Å; Y135-V177 HydrophobicContact CG-CG2 3.99Å; Y135-V177 WeakPolarHBondContact OH-CG1 3.27Å; Y135-W181 PolarHBondContact OH-NE1 3.05Å
136L92.8Very high92.1Very high1 Ų139 Ų391%0.00520%0.196CC..Hα-helixtrans-60.7-27.8177.7-66.5175.5000112.9M114 H115 V118 I128 Y129 G132 G133 K138 C139M114-L136 HydrophobicContact CB-CD2 4.2Å; M114-L136 HydrophobicContact CG-CD2 3.7Å; H115-L136 WeakPolarHBondContact NE2-CB 3.41Å; V118-L136 HydrophobicContact CG1-CD2 4.09Å; I128-L136 HydrophobicContact CG2-CD2 3.82Å; Y129-L136 HydrophobicContact CD2-CD1 3.59Å; Y129-L136 HydrophobicContact CE2-CD1 4.08Å; Y129-L136 HydrophobicContact CG-CD1 4.4Å; G132-L136 WeakPolarHBondContact O-CG 3.26Å; G132-L136 PolarHBondContact O-N 2.94Å; G132-L136 VanDerWaalsContact O-N 3.14Å; G133-L136 PolarHBondContact O-N 2.75Å; L136-K138 PolarHBondContact O-N 3.27Å; L136-C139 PolarHBondContact O-N 3.15Å
137N91.2Very high91.8Very high79 Ų7939.5 Ų39.542%0.42220%0.201SC..THydrogen-bonded Turntrans-70.5-22.6171.2-68.6-23.2000113R99 H115 G133 Y135R99-N137 PolarHBondContact NH1-O 2.79Å; H115-N137 PolarHBondContact NE2-OD1 3.4Å; G133-N137 PolarHBondContact O-N 2.9Å; G133-N137 PolarHBondContact O-ND2 3.25Å; Y135-N137 PolarHBondContact O-N 3.37Å
138K90.9Very high91.7Very high75 Ų7539.7 Ų39.733%0.32620%0.203SC..THydrogen-bonded Turntrans-103.312.7179.3-67.6-67.8-176.6174.80113.4D98 R99 D100 Y135 L136 Y172D98-K138 IonicContact OD2-NZ 2.9Å; D98-K138 PolarHBondContact OD2-NZ 3.47Å; R99-K138 CarbonylContact C-O 3.36Å; R99-K138 WeakPolarHBondContact CA-O 3.37Å; R99-K138 VanDerWaalsContact CB-O 3.31Å; R99-K138 WeakPolarHBondContact CB-O 3.47Å; R99-K138 HydrophobicContact CG-CD 4.34Å; D100-K138 PolarHBondContact N-O 2.78Å; Y135-K138 CarbonylContact O-C 3.57Å; Y135-K138 VanDerWaalsContact O-C 3.27Å; Y135-K138 VanDerWaalsContact O-CA 3.27Å; Y135-K138 WeakPolarHBondContact O-CA 3.4Å; Y135-K138 WeakPolarHBondContact O-CB 3.28Å; Y135-K138 PolarHBondContact O-N 2.73Å; L136-K138 PolarHBondContact O-N 3.27Å; K138-Y172 HydrophobicContact CB-CE1 4.03Å; K138-Y172 HydrophobicContact CG-CE1 4.01Å
139C94.2Very high91.7Very high0 Ų039.9 Ų39.90%020%0.204CC..EExtended strand (participates in β ladder)trans-132.8138.1173.2-169.20000109.2D100 M114 Y135 L136D100-C139 HydrophobicContact CB-CB 4.41Å; D100-C139 CarbonylContact O-C 3.59Å; D100-C139 VanDerWaalsContact O-CA 3.3Å; D100-C139 WeakPolarHBondContact O-CA 3.47Å; M114-C139 HydrophobicContact CB-CB 4.2Å; M114-C139 WeakPolarHBondContact CB-O 3.45Å; M114-C139 HydrophobicContact CG-CB 4.21Å; Y135-C139 HydrophobicContact CE1-CB 4.07Å; Y135-C139 HydrophobicContact CE2-CB 4.45Å; Y135-C139 PolarHBondContact O-N 2.95Å; Y135-C139 VanDerWaalsContact O-N 3.09Å; L136-C139 PolarHBondContact O-N 3.15Å
140S95.3Very high91.6Very high11 Ų1140 Ų408%0.07720%0.203CC..EExtended strand (participates in β ladder)trans-139.9150.8-179.5-680000110.6D100 W101 V102D100-S140 PolarHBondContact O-N 3.27Å; W101-S140 WeakPolarHBondContact CA-O 3.31Å; V102-S140 PolarHBondContact N-O 2.89Å
141A97.1Very high91.5Very high0 Ų038.8 Ų38.80%021%0.206CC..EExtended strand (participates in β ladder)trans-97.1135.5171.800000110.5V102 L104 A111 V112 M114 V117 Y143V102-A141 CarbonylContact O-C 3.56Å; V102-A141 VanDerWaalsContact O-CA 3.3Å; V102-A141 WeakPolarHBondContact O-CA 3.33Å; L104-A141 HydrophobicContact CD1-CB 4.3Å; A111-A141 CarbonylContact C-O 3.52Å; A111-A141 WeakPolarHBondContact CA-O 3.31Å; V112-A141 PolarHBondContact N-O 3.02Å; V112-A141 PolarHBondContact O-N 3.14Å; M114-A141 HydrophobicContact CE-CB 4.15Å; V117-A141 HydrophobicContact CB-CB 4.41Å; V117-A141 HydrophobicContact CG1-CB 4.36Å; V117-A141 HydrophobicContact CG2-CB 3.7Å; A141-Y143 HydrophobicContact CB-CD2 4.47Å; A141-Y143 HydrophobicContact CB-CE2 3.89Å
142A97.2Very high91.7Very high0 Ų037 Ų370%020%0.198CC..EExtended strand (participates in β ladder)trans-115.9107.317400000109.2Y86 W101 V102 I103 L104Y86-A142 HydrophobicContact CD2-CB 3.94Å; W101-A142 HydrophobicContact CE3-CB 3.84Å; W101-A142 HydrophobicContact CZ3-CB 4.21Å; V102-A142 PolarHBondContact O-N 3.42Å; I103-A142 CarbonylContact C-O 3.35Å; I103-A142 WeakPolarHBondContact CA-O 3.23Å; I103-A142 HydrophobicContact CG1-CB 4.36Å; L104-A142 PolarHBondContact N-O 2.88Å
143Y97Very high92Very high39 Ų3935.9 Ų35.915%0.15319%0.185CC..EExtended strand (participates in β ladder)trans-87.4129.2175.4-68.4-89.3000109.4L104 W105 K108 S109 Q110 V112 V117 A141L104-Y143 HydrophobicContact CB-CD1 3.92Å; L104-Y143 HydrophobicContact CB-CE1 3.93Å; L104-Y143 HydrophobicContact CD1-CE1 3.81Å; L104-Y143 HydrophobicContact CD1-CE2 4.48Å; L104-Y143 CarbonylContact O-C 3.55Å; L104-Y143 VanDerWaalsContact O-CA 3.31Å; L104-Y143 WeakPolarHBondContact O-CA 3.38Å; W105-Y143 WeakPolarHBondContact O-CD1 3.43Å; K108-Y143 CarbonylContact O-C 3.54Å; K108-Y143 VanDerWaalsContact O-O 3.09Å; S109-Y143 CarbonylContact C-O 3.46Å; S109-Y143 WeakPolarHBondContact CA-O 3.47Å; Q110-Y143 HydrophobicContact CG-CD2 4.2Å; Q110-Y143 HydrophobicContact CG-CG 4.36Å; Q110-Y143 PolarHBondContact N-O 3.39Å; Q110-Y143 PolarHBondContact O-N 3.39Å; V112-Y143 HydrophobicContact CB-CD2 4.34Å; V112-Y143 HydrophobicContact CB-CE2 4.02Å; V112-Y143 HydrophobicContact CG2-CD2 3.72Å; V112-Y143 HydrophobicContact CG2-CE2 3.75Å; V117-Y143 HydrophobicContact CG2-CE2 4.22Å; A141-Y143 HydrophobicContact CB-CD2 4.47Å; A141-Y143 HydrophobicContact CB-CE2 3.89Å
144C94.3Very high92.3Very high0 Ų034.2 Ų34.20%017%0.167CC..EExtended strand (participates in β ladder)trans-135.8142.8-179.2-53.80000112M84 Y86 P87 L104 G106 C146 L149M84-C144 HydrophobicContact SD-CB 4.08Å; Y86-C144 WeakPolarHBondContact CB-SG 3.24Å; P87-C144 WeakPolarHBondContact CD-SG 3.48Å; L104-C144 PolarHBondContact O-N 2.92Å; G106-C144 PolarHBondContact N-O 2.9Å; G106-C144 CarbonylContact O-C 3.52Å; C144-C146 PolarHBondContact O-N 2.9Å; C144-L149 HydrophobicContact CB-CD1 3.71Å
145P93.2Very high92.7Very high63 Ų6329.4 Ų29.441%0.40915%0.145SC..  trans-8255.8176.935.4-36000111.7G106G106-P145 WeakPolarHBondContact O-CA 3.37Å; G106-P145 WeakPolarHBondContact O-CB 3.23Å; G106-P145 VanDerWaalsContact O-N 3.15Å
146C89.1Confident92.9Very high7 Ų729.4 Ų29.45%0.04715%0.145CC..  trans-108.9124.7178.3-179.30000110.2L82 M84 C144 L148 L149L82-C146 HydrophobicContact CD2-CB 4.34Å; M84-C146 HydrophobicContact SD-CB 3.97Å; C144-C146 PolarHBondContact O-N 2.9Å; C146-L148 PolarHBondContact O-N 3.32Å; C146-L149 HydrophobicContact CB-CD1 3.94Å; C146-L149 HydrophobicContact CB-CG 4.14Å; C146-L149 WeakPolarHBondContact O-CB 3.29Å; C146-L149 PolarHBondContact O-N 2.88Å
147D85.6Confident92.9Very high74 Ų7429.7 Ų29.740%0.39615%0.147SC..G310 helixtrans-63.2-26.6-176.5-72.8-29.6000113.4L149 R150D147-L149 PolarHBondContact O-N 3.18Å; D147-R150 WeakPolarHBondContact O-CB 3.4Å; D147-R150 PolarHBondContact O-N 2.63Å; D147-R150 VanDerWaalsContact O-N 3.14Å; D147-R150 IonicContact OD1-CZ 3.57Å; D147-R150 IonicContact OD1-NE 3.52Å; D147-R150 PolarHBondContact OD1-NE 2.91Å; D147-R150 IonicContact OD1-NH2 3.01Å; D147-R150 PolarHBondContact OD1-NH2 2.76Å
148L86.6Confident92.7Very high29 Ų2926.9 Ų26.915%0.15213%0.133CC..G310 helixtrans-55.7-42.7172.6-172.467.9000111.1L82 C146 R150 N151 M152L82-L148 HydrophobicContact CD2-CD2 4.24Å; C146-L148 PolarHBondContact O-N 3.32Å; L148-R150 PolarHBondContact O-N 3.32Å; L148-N151 PolarHBondContact O-N 3.27Å; L148-M152 HydrophobicContact CD1-CE 3.4Å; L148-M152 VanDerWaalsContact CD1-CE 3.4Å; L148-M152 HydrophobicContact CD1-SD 4.07Å; L148-M152 HydrophobicContact CD2-CE 4.28Å; L148-M152 HydrophobicContact CD2-SD 3.88Å; L148-M152 HydrophobicContact CG-CE 3.73Å; L148-M152 HydrophobicContact CG-CG 4.17Å; L148-M152 HydrophobicContact CG-SD 3.7Å; L148-M152 PolarHBondContact O-N 3.5Å
149L90.6Very high92.3Very high3 Ų323.8 Ų23.82%0.01612%0.123CC..G310 helixtrans-71.2-12.7-177.2-62.7172.4000113.4L82 I103 W105 C144 C146 D147 N151 M152 I154L82-L149 HydrophobicContact CD2-CD1 4.06Å; L82-L149 HydrophobicContact CD2-CD2 3.83Å; L82-L149 HydrophobicContact CD2-CG 3.79Å; I103-L149 HydrophobicContact CG2-CD1 3.72Å; I103-L149 HydrophobicContact CG2-CD2 3.95Å; W105-L149 HydrophobicContact CB-CB 3.78Å; W105-L149 WeakPolarHBondContact CB-O 3.39Å; C144-L149 HydrophobicContact CB-CD1 3.71Å; C146-L149 HydrophobicContact CB-CD1 3.94Å; C146-L149 HydrophobicContact CB-CG 4.14Å; C146-L149 WeakPolarHBondContact O-CB 3.29Å; C146-L149 PolarHBondContact O-N 2.88Å; D147-L149 PolarHBondContact O-N 3.18Å; L149-N151 PolarHBondContact O-N 3.17Å; L149-M152 CarbonylContact C-O 3.59Å; L149-M152 VanDerWaalsContact CA-O 3.31Å; L149-M152 WeakPolarHBondContact CA-O 3.4Å; L149-I154 HydrophobicContact CD2-CD1 4.1Å; L149-I154 HydrophobicContact CD2-CG1 4.21Å
150R87.8Confident91.5Very high139 Ų13924.3 Ų24.353%0.52513%0.125SC..G310 helixtrans-65.7-27.5170-62.2-174.3-164.4-145.86.4111.3W105 D147 L148W105-R150 HydrophobicContact CB-CG 4.49Å; W105-R150 VanDerWaalsContact CD1-CG 3.4Å; W105-R150 HydrophobicContact CD2-CG 4.11Å; W105-R150 HydrophobicContact CG-CG 3.76Å; D147-R150 WeakPolarHBondContact O-CB 3.4Å; D147-R150 PolarHBondContact O-N 2.63Å; D147-R150 VanDerWaalsContact O-N 3.14Å; D147-R150 IonicContact OD1-CZ 3.57Å; D147-R150 IonicContact OD1-NE 3.52Å; D147-R150 PolarHBondContact OD1-NE 2.91Å; D147-R150 IonicContact OD1-NH2 3.01Å; D147-R150 PolarHBondContact OD1-NH2 2.76Å; L148-R150 PolarHBondContact O-N 3.32Å
151N87.1Confident90.3Very high91 Ų9126.1 Ų26.149%0.48713%0.133SC..SBendtrans-112.51-174.8-58.8-37.2000112.7P62 L148 L149 N289P62-N151 VanDerWaalsContact CD-O 3.27Å; P62-N151 WeakPolarHBondContact CD-O 3.32Å; P62-N151 WeakPolarHBondContact CG-O 3.45Å; L148-N151 PolarHBondContact O-N 3.27Å; L149-N151 PolarHBondContact O-N 3.17Å; N151-N289 PolarHBondContact O-OD1 2.91Å
152M92.8Very high88.5Confident1 Ų128.3 Ų28.31%0.00515%0.151CC..  trans-156.7155.5173.767.6-177.564.600112.4P62 L148 L149 I154 I285P62-M152 CarbonylContact O-C 3.54Å; P62-M152 WeakPolarHBondContact O-CA 3.27Å; L148-M152 HydrophobicContact CD1-CE 3.4Å; L148-M152 VanDerWaalsContact CD1-CE 3.4Å; L148-M152 HydrophobicContact CD1-SD 4.07Å; L148-M152 HydrophobicContact CD2-CE 4.28Å; L148-M152 HydrophobicContact CD2-SD 3.88Å; L148-M152 HydrophobicContact CG-CE 3.73Å; L148-M152 HydrophobicContact CG-CG 4.17Å; L148-M152 HydrophobicContact CG-SD 3.7Å; L148-M152 PolarHBondContact O-N 3.5Å; L149-M152 CarbonylContact C-O 3.59Å; L149-M152 VanDerWaalsContact CA-O 3.31Å; L149-M152 WeakPolarHBondContact CA-O 3.4Å; M152-I154 HydrophobicContact CG-CG1 4.29Å; M152-I154 HydrophobicContact SD-CD1 4.17Å; M152-I154 HydrophobicContact SD-CG1 4.17Å; M152-I285 HydrophobicContact CE-CG2 3.8Å; M152-I285 HydrophobicContact SD-CG2 4.49Å
153I96.3Very high86.4Confident5 Ų532.8 Ų32.83%0.02618%0.179CC..EExtended strand (participates in β ladder)trans-108.3133.3168.7-60176.2000107.3P61 P62 L63 L64 V102 L104 P124 Y125P61-I153 HydrophobicContact CB-CG1 4.31Å; P62-I153 PolarHBondContact O-N 2.95Å; L63-I153 CarbonylContact C-O 3.58Å; L63-I153 WeakPolarHBondContact CA-O 3.29Å; L63-I153 HydrophobicContact CD1-CG2 4.42Å; L63-I153 HydrophobicContact CG-CG2 4.5Å; L64-I153 PolarHBondContact N-O 2.89Å; V102-I153 HydrophobicContact CG1-CG2 3.92Å; L104-I153 HydrophobicContact CD2-CB 4.31Å; L104-I153 HydrophobicContact CD2-CD1 3.83Å; L104-I153 HydrophobicContact CD2-CG1 3.79Å; L104-I153 HydrophobicContact CD2-CG2 3.7Å; P124-I153 HydrophobicContact CG-CD1 3.98Å; Y125-I153 HydrophobicContact CE2-CD1 3.77Å; Y125-I153 HydrophobicContact CE2-CG2 4.23Å
154I97.4Very high84Confident0 Ų037.8 Ų37.80%021%0.208CC..EExtended strand (participates in β ladder)trans-110.3135.8177.2-59.8175.4000108.9L64 F66 I78 L82 I103 L149 M152L64-I154 HydrophobicContact CB-CG1 4.42Å; L64-I154 WeakPolarHBondContact O-CA 3.27Å; F66-I154 HydrophobicContact CD2-CG2 3.75Å; F66-I154 HydrophobicContact CE2-CG2 3.7Å; I78-I154 HydrophobicContact CD1-CG2 3.85Å; I78-I154 HydrophobicContact CG1-CG2 4.06Å; I78-I154 HydrophobicContact CG2-CG2 4.28Å; L82-I154 HydrophobicContact CD2-CD1 4.13Å; I103-I154 HydrophobicContact CB-CB 4.2Å; I103-I154 HydrophobicContact CD1-CB 4.29Å; I103-I154 HydrophobicContact CD1-CG2 4.1Å; I103-I154 PolarHBondContact N-O 3.5Å; I103-I154 PolarHBondContact O-N 3.46Å; L149-I154 HydrophobicContact CD2-CD1 4.1Å; L149-I154 HydrophobicContact CD2-CG1 4.21Å; M152-I154 HydrophobicContact CG-CG1 4.29Å; M152-I154 HydrophobicContact SD-CD1 4.17Å; M152-I154 HydrophobicContact SD-CG1 4.17Å
155V97.5Very high81.8Confident0 Ų046 Ų460%024%0.244CC..EExtended strand (participates in β ladder)trans-115.1114170.7178.70000109.1L63 L64 L65 F66 W101 V102 T157 W181L63-V155 HydrophobicContact CD1-CG2 3.74Å; L63-V155 HydrophobicContact CD2-CB 4.33Å; L63-V155 HydrophobicContact CD2-CG2 3.89Å; L63-V155 HydrophobicContact CG-CG2 3.98Å; L64-V155 PolarHBondContact O-N 3.33Å; L65-V155 HydrophobicContact CD1-CB 3.8Å; L65-V155 HydrophobicContact CD1-CG1 3.67Å; F66-V155 PolarHBondContact N-O 2.87Å; W101-V155 CarbonylContact O-C 3.59Å; W101-V155 VanDerWaalsContact O-CA 3.31Å; W101-V155 WeakPolarHBondContact O-CA 3.38Å; V102-V155 HydrophobicContact CG1-CG2 4.44Å; V102-V155 HydrophobicContact CG2-CG2 4.39Å; V155-T157 HydrophobicContact CG1-CG2 4.21Å; V155-W181 HydrophobicContact CG1-CD2 4.07Å; V155-W181 HydrophobicContact CG1-CE3 4.38Å; V155-W181 HydrophobicContact CG1-CG 4.42Å; V155-W181 HydrophobicContact CG1-CZ2 4.35Å; V155-W181 HydrophobicContact CG2-CD2 4.38Å; V155-W181 HydrophobicContact CG2-CE3 3.87Å; V155-W181 HydrophobicContact CG2-CH2 3.98Å; V155-W181 HydrophobicContact CG2-CZ2 4.49Å; V155-W181 HydrophobicContact CG2-CZ3 3.68Å
156D95.7Very high79.7Confident0 Ų047.7 Ų47.70%025%0.248CC..EExtended strand (participates in β ladder)trans-92.9122.3171.1-165.215.4000109.6T75 I78 Y86 D100 W101T75-D156 WeakPolarHBondContact CB-OD2 3.42Å; T75-D156 PolarHBondContact OG1-OD2 3.29Å; I78-D156 HydrophobicContact CD1-CB 3.42Å; I78-D156 VanDerWaalsContact CD1-CB 3.42Å; I78-D156 VanDerWaalsContact CD1-CG 3.43Å; Y86-D156 PolarHBondContact OH-OD2 3.31Å; D100-D156 CarbonylContact C-O 3.48Å; D100-D156 WeakPolarHBondContact CA-O 3.13Å; W101-D156 HydrophobicContact CB-CB 4.25Å; W101-D156 PolarHBondContact N-O 3.14Å; W101-D156 PolarHBondContact O-N 2.94Å
157T93.2Very high77.4Confident8 Ų855.4 Ų55.45%0.04929%0.288CS..PPolyproline II helixtrans-103.4148.5178660000111.1L65 F66 L67 K74 D100 V155L65-T157 HydrophobicContact CD1-CG2 3.7Å; F66-T157 WeakPolarHBondContact O-CB 3.46Å; F66-T157 WeakPolarHBondContact O-CG2 3.15Å; F66-T157 PolarHBondContact O-OG1 2.86Å; L67-T157 HydrophobicContact CD2-CG2 3.89Å; K74-T157 WeakPolarHBondContact CE-O 3.47Å; D100-T157 WeakPolarHBondContact OD1-CA 3.31Å; D100-T157 WeakPolarHBondContact OD1-CB 3.49Å; V155-T157 HydrophobicContact CG1-CG2 4.21Å
158P87.3Confident75.9Confident19 Ų1956.6 Ų56.612%0.12330%0.298CS..PPolyproline II helixtrans-52.2146.2170.6-29.737.7000112.5T97 D100 I160T97-P158 WeakPolarHBondContact O-CB 3.36Å; D100-P158 WeakPolarHBondContact OD1-CD 3.33Å; P158-I160 PolarHBondContact O-N 2.8Å
159G82.4Confident74.4Confident11 Ų1160 Ų6011%0.11332%0.32CS..PPolyproline II helixtrans-60.3132.4174.300000112.4M161G159-M161 PolarHBondContact O-N 3.28Å
160I78.7Confident73.1Confident11 Ų1164.8 Ų64.86%0.05634%0.338CS..BIsolated β-bridgetrans-69.4124.3172.8-56.1-168.4000108.5G68 P69 F70 P158 D202 M203 L206G68-I160 PolarHBondContact O-N 3.04Å; G68-I160 VanDerWaalsContact O-N 3.13Å; P69-I160 CarbonylContact C-O 3.55Å; P69-I160 WeakPolarHBondContact CA-O 3.41Å; F70-I160 PolarHBondContact N-O 2.89Å; P158-I160 PolarHBondContact O-N 2.8Å; I160-D202 HydrophobicContact CG2-CB 3.49Å; I160-D202 VanDerWaalsContact CG2-CB 3.49Å; I160-M203 HydrophobicContact CB-SD 3.98Å; I160-M203 HydrophobicContact CD1-SD 4.09Å; I160-M203 HydrophobicContact CG1-SD 4.44Å; I160-M203 HydrophobicContact CG2-SD 4.26Å; I160-L206 HydrophobicContact CD1-CB 3.53Å; I160-L206 HydrophobicContact CD1-CD1 3.64Å; I160-L206 HydrophobicContact CD1-CD2 3.36Å; I160-L206 HydrophobicContact CD1-CG 3.62Å
161M69.9Low72.5Confident48 Ų4866.6 Ų66.624%0.23635%0.346CS..  trans-123.7140.8178.2-67.1-177.56900107.9F70 P95 G159 T163F70-M161 HydrophobicContact CB-CG 3.32Å; F70-M161 HydrophobicContact CB-SD 4.06Å; F70-M161 HydrophobicContact CD1-CE 4.32Å; F70-M161 HydrophobicContact CD1-CG 4.46Å; F70-M161 HydrophobicContact CD1-SD 4.27Å; F70-M161 HydrophobicContact CD2-CG 4.45Å; F70-M161 HydrophobicContact CD2-SD 4.18Å; F70-M161 HydrophobicContact CG-CE 4.47Å; F70-M161 HydrophobicContact CG-CG 3.81Å; F70-M161 HydrophobicContact CG-SD 3.84Å; P95-M161 HydrophobicContact CB-SD 3.9Å; P95-M161 HydrophobicContact CG-CE 3.68Å; P95-M161 HydrophobicContact CG-SD 3.47Å; P95-M161 WeakPolarHBondContact CG-SD 3.5Å; G159-M161 PolarHBondContact O-N 3.28Å; M161-T163 PolarHBondContact O-N 2.82Å
162A59.1Low72.3Confident47 Ų4763.9 Ų63.939%0.38833%0.329SS..  trans-50.3127.4169.200000109.8D164 K165 D202A162-D164 PolarHBondContact O-N 3.24Å; A162-K165 PolarHBondContact O-N 2.91Å; A162-D202 WeakPolarHBondContact CA-OD1 3.17Å
163T52.8Low72Confident93 Ų9368.6 Ų68.657%0.57136%0.355SS*.G310 helixtrans-46-24.6-173.444.10000115.3M161 K165 D202M161-T163 PolarHBondContact O-N 2.82Å; T163-K165 PolarHBondContact O-N 3.16Å; T163-D202 PolarHBondContact N-OD2 2.96Å
164D45.4Very low71.5Confident144 Ų14470.3 Ų70.377%0.7736%0.361SS*.G310 helixtrans-83.2-4.7-168.7-61.4-10.4000115.2A162A162-D164 PolarHBondContact O-N 3.24Å
165K49.6Very low71Confident173 Ų17373.2 Ų73.275%0.75238%0.376SS*.G310 helixtrans-104.1-7.1-173.3-67.8-168.8178.8-176.40116A162 T163A162-K165 PolarHBondContact O-N 2.91Å; T163-K165 PolarHBondContact O-N 3.16Å
166M48.4Very low70.6Confident99 Ų9974.7 Ų74.749%0.48839%0.389SS..  trans-142.1107.7170.1-77.5-173.8163.500109P95 T168P95-M166 HydrophobicContact CB-CE 3.77Å; P95-M166 HydrophobicContact CB-SD 4.28Å; P95-M166 HydrophobicContact CG-CE 3.67Å; P95-M166 HydrophobicContact CG-SD 4.41Å; M166-T168 PolarHBondContact O-N 3.48Å
167N41.5Very low70.4Confident169 Ų16974.8 Ų74.890%0.90439%0.389SS*.  trans-62.729.3171.5-93.8-17.1000113.9V169N167-V169 PolarHBondContact O-N 3.48Å; N167-V169 VanDerWaalsContact O-N 3.13Å
168T52.7Low70.3Confident98 Ų9875.2 Ų75.260%0.60139%0.391SS*.  trans-81.193.9171.733.80000108.6M166 R170M166-T168 PolarHBondContact O-N 3.48Å; T168-R170 PolarHBondContact O-N 3.16Å
169V55.8Low70.6Confident101 Ų10179.2 Ų79.261%0.61241%0.407SS*.  trans-47.9108.1163.5178.90000107.4N167 Y171N167-V169 PolarHBondContact O-N 3.48Å; N167-V169 VanDerWaalsContact O-N 3.13Å; V169-Y171 HydrophobicContact CG1-CD1 4.24Å; V169-Y171 HydrophobicContact CG1-CE1 3.95Å; V169-Y171 PolarHBondContact O-N 3.18Å
170R64.6Low71.1Confident104 Ų10478.9 Ų78.939%0.39240%0.402SS..  trans-76.3117.1173.4-64.6-173.3-172.6-143.45.2106.8T168 Y172T168-R170 PolarHBondContact O-N 3.16Å; R170-Y172 HydrophobicContact CB-CE1 4.4Å; R170-Y172 PolarHBondContact NH1-OH 2.92Å; R170-Y172 PolarHBondContact O-N 3.18Å
171Y73.9Confident71.9Confident177 Ų17778.4 Ų78.469%0.69440%0.399SS*.SBendtrans-7915.8176.8-59.6-76000113.2V169V169-Y171 HydrophobicContact CG1-CD1 4.24Å; V169-Y171 HydrophobicContact CG1-CE1 3.95Å; V169-Y171 PolarHBondContact O-N 3.18Å
172Y83.5Confident73Confident33 Ų3376.1 Ų76.113%0.12939%0.388CS..SBendtrans-139.5153.617768.5-91.3000110.9Y135 K138 R170 R174 V177Y135-Y172 HydrophobicContact CD2-CD1 4.27Å; Y135-Y172 AromaticContact CD2-CD2 3.63Å; Y135-Y172 HydrophobicContact CD2-CD2 3.63Å; Y135-Y172 HydrophobicContact CD2-CE1 4.33Å; Y135-Y172 AromaticContact CD2-CE2 3.71Å; Y135-Y172 HydrophobicContact CD2-CE2 3.71Å; Y135-Y172 AromaticContact CD2-CG 3.95Å; Y135-Y172 HydrophobicContact CD2-CG 3.95Å; Y135-Y172 HydrophobicContact CE2-CD2 4.38Å; Y135-Y172 HydrophobicContact CE2-CE2 4.08Å; Y135-Y172 HydrophobicContact CG-CD2 4.39Å; Y135-Y172 HydrophobicContact CG-CG 4.47Å; K138-Y172 HydrophobicContact CB-CE1 4.03Å; K138-Y172 HydrophobicContact CG-CE1 4.01Å; R170-Y172 HydrophobicContact CB-CE1 4.4Å; R170-Y172 PolarHBondContact NH1-OH 2.92Å; R170-Y172 PolarHBondContact O-N 3.18Å; Y172-R174 HydrophobicContact CE2-CB 4.16Å; Y172-R174 PolarHBondContact O-N 2.96Å; Y172-R174 VanDerWaalsContact O-N 3.12Å; Y172-V177 HydrophobicContact CD2-CG2 4.04Å; Y172-V177 HydrophobicContact CE2-CG2 4.43Å
173D85.6Confident74.5Confident101 Ų10176.7 Ų76.754%0.5438%0.383SS..  trans-75.597.2175.9-175-16000110.3D175 A176 V177D173-D175 VanDerWaalsContact C-N 3.29Å; D173-D175 PolarHBondContact O-N 2.95Å; D173-D175 PolarHBondContact OD1-N 3.41Å; D173-D175 VanDerWaalsContact OD1-N 3.1Å; D173-A176 HydrophobicContact CB-CB 3.92Å; D173-A176 VanDerWaalsContact CG-CB 3.41Å; D173-A176 PolarHBondContact O-N 3.2Å; D173-A176 PolarHBondContact OD1-N 2.89Å; D173-A176 WeakPolarHBondContact OD2-CB 3.48Å; D173-V177 WeakPolarHBondContact O-CG2 3.28Å; D173-V177 PolarHBondContact O-N 3.25Å; D173-V177 VanDerWaalsContact O-N 3.16Å
174R85.9Confident76.3Confident40 Ų4072.8 Ų72.815%0.15136%0.358CS..Hα-helixtrans-58.2-41.1179.3-178.4-172.271-175.5-2.4112.1Y172 V177 I178 D202Y172-R174 HydrophobicContact CE2-CB 4.16Å; Y172-R174 PolarHBondContact O-N 2.96Å; Y172-R174 VanDerWaalsContact O-N 3.12Å; R174-V177 PolarHBondContact O-N 3.29Å; R174-I178 HydrophobicContact CG-CD1 3.79Å; R174-I178 HydrophobicContact CG-CG1 4.36Å; R174-I178 WeakPolarHBondContact O-CB 3.25Å; R174-I178 WeakPolarHBondContact O-CG1 3.47Å; R174-I178 PolarHBondContact O-N 3.43Å; R174-D202 IonicContact NH1-OD2 3.25Å; R174-D202 IonicContact NH2-OD2 2.8Å
175D87.7Confident78.7Confident61 Ų6166 Ų6633%0.32632%0.321SS..Hα-helixtrans-73.8-36.2-172.2-67.4-0.2000110.2D173 I178 K179 I209D173-D175 VanDerWaalsContact C-N 3.29Å; D173-D175 PolarHBondContact O-N 2.95Å; D173-D175 PolarHBondContact OD1-N 3.41Å; D173-D175 VanDerWaalsContact OD1-N 3.1Å; D175-I178 PolarHBondContact O-N 3.47Å; D175-K179 WeakPolarHBondContact O-CB 3.41Å; D175-K179 PolarHBondContact O-N 3.33Å; D175-I209 HydrophobicContact CB-CD1 3.74Å
176A88.1Confident80.8Confident32 Ų3257.8 Ų57.826%0.26429%0.286SS..Hα-helixtrans-64.5-38.6171.400000112.7F131 D173 Y180F131-A176 HydrophobicContact CE1-CB 3.91Å; D173-A176 HydrophobicContact CB-CB 3.92Å; D173-A176 VanDerWaalsContact CG-CB 3.41Å; D173-A176 PolarHBondContact O-N 3.2Å; D173-A176 PolarHBondContact OD1-N 2.89Å; D173-A176 WeakPolarHBondContact OD2-CB 3.48Å; A176-Y180 WeakPolarHBondContact O-CB 3.19Å; A176-Y180 PolarHBondContact O-N 3.23Å
177V91.8Very high83.1Confident2 Ų254.7 Ų54.71%0.01227%0.269CS..Hα-helixtrans-65.4-49.6174.5165.90000111.4F131 Y135 Y172 D173 R174 K179 Y180 W181F131-V177 HydrophobicContact CB-CG2 4.33Å; F131-V177 HydrophobicContact CD1-CG2 3.67Å; F131-V177 HydrophobicContact CD2-CG2 4Å; F131-V177 HydrophobicContact CE1-CG2 3.86Å; F131-V177 HydrophobicContact CE2-CG2 4.18Å; F131-V177 HydrophobicContact CG-CG2 3.74Å; F131-V177 HydrophobicContact CZ-CG2 4.1Å; Y135-V177 HydrophobicContact CD1-CG2 4.17Å; Y135-V177 HydrophobicContact CD2-CG1 4.3Å; Y135-V177 HydrophobicContact CD2-CG2 3.79Å; Y135-V177 HydrophobicContact CE1-CG1 4.06Å; Y135-V177 HydrophobicContact CE1-CG2 4.12Å; Y135-V177 HydrophobicContact CE2-CB 4.21Å; Y135-V177 HydrophobicContact CE2-CG1 3.45Å; Y135-V177 VanDerWaalsContact CE2-CG1 3.45Å; Y135-V177 HydrophobicContact CE2-CG2 3.79Å; Y135-V177 HydrophobicContact CG-CG2 3.99Å; Y135-V177 WeakPolarHBondContact OH-CG1 3.27Å; Y172-V177 HydrophobicContact CD2-CG2 4.04Å; Y172-V177 HydrophobicContact CE2-CG2 4.43Å; D173-V177 WeakPolarHBondContact O-CG2 3.28Å; D173-V177 PolarHBondContact O-N 3.25Å; D173-V177 VanDerWaalsContact O-N 3.16Å; R174-V177 PolarHBondContact O-N 3.29Å; V177-K179 VanDerWaalsContact C-N 3.28Å; V177-K179 PolarHBondContact O-N 3.08Å; V177-Y180 WeakPolarHBondContact O-CB 3.33Å; V177-Y180 PolarHBondContact O-N 3.18Å; V177-Y180 VanDerWaalsContact O-N 3.12Å; V177-W181 PolarHBondContact O-N 2.82Å
178I92.3Very high85.7Confident17 Ų1746.7 Ų46.79%0.08723%0.226CC..Hα-helixtrans-58.9-45.2178.4-74.1173.1000109.8R174 D175 Y180 W181 I182 L206 I209R174-I178 HydrophobicContact CG-CD1 3.79Å; R174-I178 HydrophobicContact CG-CG1 4.36Å; R174-I178 WeakPolarHBondContact O-CB 3.25Å; R174-I178 WeakPolarHBondContact O-CG1 3.47Å; R174-I178 PolarHBondContact O-N 3.43Å; D175-I178 PolarHBondContact O-N 3.47Å; I178-Y180 VanDerWaalsContact C-N 3.31Å; I178-Y180 PolarHBondContact O-N 3.36Å; I178-W181 PolarHBondContact O-N 2.83Å; I178-I182 HydrophobicContact CG2-CD1 3.53Å; I178-I182 HydrophobicContact CG2-CG1 4.32Å; I178-I182 WeakPolarHBondContact O-CB 3.32Å; I178-I182 VanDerWaalsContact O-CG1 3.24Å; I178-I182 WeakPolarHBondContact O-CG1 3.47Å; I178-I182 PolarHBondContact O-N 2.65Å; I178-L206 HydrophobicContact CD1-CD1 4.2Å; I178-L206 HydrophobicContact CG2-CD1 3.67Å; I178-I209 HydrophobicContact CG2-CG2 4.35Å
179K92.3Very high87.7Confident103 Ų10342 Ų4245%0.44820%0.197SC..Hα-helixtrans-58.5-42.4176.1-177.6176.5173.9-177.70112.1D175 V177 I182 E183 I209D175-K179 WeakPolarHBondContact O-CB 3.41Å; D175-K179 PolarHBondContact O-N 3.33Å; V177-K179 VanDerWaalsContact C-N 3.28Å; V177-K179 PolarHBondContact O-N 3.08Å; K179-I182 PolarHBondContact O-N 2.99Å; K179-E183 WeakPolarHBondContact CE-OE1 3.3Å; K179-E183 WeakPolarHBondContact O-CB 3.06Å; K179-E183 WeakPolarHBondContact O-CG 3.44Å; K179-E183 PolarHBondContact O-N 3.09Å; K179-I209 HydrophobicContact CB-CG2 3.98Å; K179-I209 HydrophobicContact CG-CG2 4.46Å
180Y92.6Very high89.5Confident3 Ų337.5 Ų37.51%0.01217%0.17CC..Hα-helixtrans-59.8-47.7175.6169.4-98.1000112.3E127 I128 F131 A176 V177 I178 I182 E183 K184E127-Y180 HydrophobicContact CB-CE2 4.2Å; E127-Y180 WeakPolarHBondContact OE2-CE2 3.37Å; I128-Y180 HydrophobicContact CD1-CE1 4.04Å; I128-Y180 HydrophobicContact CG1-CD1 4.22Å; I128-Y180 HydrophobicContact CG1-CE1 3.35Å; F131-Y180 AromaticContact CE2-CD1 3.98Å; F131-Y180 HydrophobicContact CE2-CD1 3.98Å; F131-Y180 HydrophobicContact CE2-CD2 4.36Å; F131-Y180 AromaticContact CE2-CG 3.79Å; F131-Y180 HydrophobicContact CE2-CG 3.79Å; F131-Y180 HydrophobicContact CZ-CG 4.06Å; A176-Y180 WeakPolarHBondContact O-CB 3.19Å; A176-Y180 PolarHBondContact O-N 3.23Å; V177-Y180 WeakPolarHBondContact O-CB 3.33Å; V177-Y180 PolarHBondContact O-N 3.18Å; V177-Y180 VanDerWaalsContact O-N 3.12Å; I178-Y180 VanDerWaalsContact C-N 3.31Å; I178-Y180 PolarHBondContact O-N 3.36Å; Y180-I182 VanDerWaalsContact C-N 3.32Å; Y180-I182 PolarHBondContact O-N 3.08Å; Y180-E183 PolarHBondContact O-N 3.01Å; Y180-K184 HydrophobicContact CD2-CG 4.37Å; Y180-K184 HydrophobicContact CE1-CG 4.21Å; Y180-K184 HydrophobicContact CE2-CD 4.43Å; Y180-K184 HydrophobicContact CE2-CG 3.96Å; Y180-K184 WeakPolarHBondContact O-CG 3.44Å; Y180-K184 PolarHBondContact O-N 3.29Å
181W95.2Very high90.9Very high1 Ų132.5 Ų32.50%0.00415%0.151CC..Hα-helixtrans-63.8-38177.7-74.7122.7000112.6L63 L65 V102 Y125 I128 Y135 V155 V177 I178 E183 K184 A185L63-W181 HydrophobicContact CD1-CE3 3.86Å; L63-W181 HydrophobicContact CD1-CZ3 3.64Å; L65-W181 HydrophobicContact CD1-CB 3.85Å; L65-W181 HydrophobicContact CD1-CG 4.36Å; L65-W181 HydrophobicContact CD2-CB 3.8Å; L65-W181 HydrophobicContact CG-CB 4.45Å; V102-W181 HydrophobicContact CG2-CH2 3.5Å; V102-W181 VanDerWaalsContact CG2-CH2 3.5Å; V102-W181 HydrophobicContact CG2-CZ2 3.73Å; Y125-W181 HydrophobicContact CD2-CH2 4.38Å; Y125-W181 HydrophobicContact CD2-CZ3 4.04Å; Y125-W181 HydrophobicContact CG-CZ3 4.11Å; I128-W181 HydrophobicContact CD1-CH2 3.28Å; I128-W181 HydrophobicContact CD1-CZ2 3.4Å; I128-W181 HydrophobicContact CD1-CZ3 4.18Å; I128-W181 HydrophobicContact CG1-CH2 4.38Å; I128-W181 HydrophobicContact CG1-CZ2 4.28Å; Y135-W181 PolarHBondContact OH-NE1 3.05Å; V155-W181 HydrophobicContact CG1-CD2 4.07Å; V155-W181 HydrophobicContact CG1-CE3 4.38Å; V155-W181 HydrophobicContact CG1-CG 4.42Å; V155-W181 HydrophobicContact CG1-CZ2 4.35Å; V155-W181 HydrophobicContact CG2-CD2 4.38Å; V155-W181 HydrophobicContact CG2-CE3 3.87Å; V155-W181 HydrophobicContact CG2-CH2 3.98Å; V155-W181 HydrophobicContact CG2-CZ2 4.49Å; V155-W181 HydrophobicContact CG2-CZ3 3.68Å; V177-W181 PolarHBondContact O-N 2.82Å; I178-W181 PolarHBondContact O-N 2.83Å; W181-E183 VanDerWaalsContact C-N 3.33Å; W181-E183 PolarHBondContact O-N 3.43Å; W181-K184 PolarHBondContact O-N 2.94Å; W181-A185 WeakPolarHBondContact O-CA 3.48Å; W181-A185 WeakPolarHBondContact O-CB 3.47Å; W181-A185 PolarHBondContact O-N 2.98Å
182I94.3Very high91.8Very high0 Ų024.3 Ų24.30%012%0.119CC..Hα-helixtrans-63.1-39.1175.2-73.7167.8000111.7L65 L67 I178 K179 Y180 I188 I209 V210 Y213 K216L65-I182 HydrophobicContact CD2-CG1 3.76Å; L67-I182 HydrophobicContact CD1-CD1 4.09Å; L67-I182 HydrophobicContact CD1-CG1 4.08Å; I178-I182 HydrophobicContact CG2-CD1 3.53Å; I178-I182 HydrophobicContact CG2-CG1 4.32Å; I178-I182 WeakPolarHBondContact O-CB 3.32Å; I178-I182 VanDerWaalsContact O-CG1 3.24Å; I178-I182 WeakPolarHBondContact O-CG1 3.47Å; I178-I182 PolarHBondContact O-N 2.65Å; K179-I182 PolarHBondContact O-N 2.99Å; Y180-I182 VanDerWaalsContact C-N 3.32Å; Y180-I182 PolarHBondContact O-N 3.08Å; I182-I188 HydrophobicContact CB-CD1 4.2Å; I182-I188 HydrophobicContact CG1-CD1 4.05Å; I182-I188 HydrophobicContact CG2-CD1 3.77Å; I182-I209 HydrophobicContact CD1-CG2 3.76Å; I182-V210 HydrophobicContact CD1-CB 4.45Å; I182-V210 HydrophobicContact CD1-CG2 3.47Å; I182-V210 VanDerWaalsContact CD1-CG2 3.47Å; I182-V210 HydrophobicContact CG1-CG2 4.37Å; I182-Y213 HydrophobicContact CG2-CD1 4.16Å; I182-Y213 HydrophobicContact CG2-CD2 3.14Å; I182-Y213 HydrophobicContact CG2-CE2 3.62Å; I182-Y213 HydrophobicContact CG2-CG 3.42Å; I182-Y213 VanDerWaalsContact CG2-CG 3.42Å; I182-K216 PolarHBondContact O-NZ 3.37Å
183E90.2Very high92.1Very high59 Ų5923 Ų2328%0.27611%0.114SC..Hα-helixtrans-65.2-46.8176.7-79169.7-177.100111K179 Y180 W181 Y213 K216K179-E183 WeakPolarHBondContact CE-OE1 3.3Å; K179-E183 WeakPolarHBondContact O-CB 3.06Å; K179-E183 WeakPolarHBondContact O-CG 3.44Å; K179-E183 PolarHBondContact O-N 3.09Å; Y180-E183 PolarHBondContact O-N 3.01Å; W181-E183 VanDerWaalsContact C-N 3.33Å; W181-E183 PolarHBondContact O-N 3.43Å; E183-Y213 HydrophobicContact CG-CE1 4.27Å; E183-Y213 WeakPolarHBondContact CG-OH 3.21Å; E183-Y213 PolarHBondContact OE1-OH 3.35Å; E183-Y213 VanDerWaalsContact OE1-OH 3.1Å; E183-K216 PolarHBondContact O-NZ 3.42Å
184K91.8Very high92.4Very high12 Ų1218.6 Ų18.65%0.0529%0.091CC..Hα-helixtrans-70.7-30.5177.4-62.9-60.3-173.9177.10113.4E57 Y125 E127 Y180 W181 D186 R295E57-K184 VanDerWaalsContact OE1-CD 3.23Å; E57-K184 WeakPolarHBondContact OE1-CD 3.44Å; E57-K184 IonicContact OE1-NZ 3.56Å; E57-K184 PolarHBondContact OE1-NZ 2.92Å; E57-K184 IonicContact OE2-NZ 2.85Å; E57-K184 PolarHBondContact OE2-NZ 3.1Å; Y125-K184 HydrophobicContact CD1-CB 4.26Å; Y125-K184 HydrophobicContact CD1-CD 4.26Å; Y125-K184 HydrophobicContact CD1-CG 4.09Å; Y125-K184 HydrophobicContact CE1-CB 3.97Å; Y125-K184 HydrophobicContact CE1-CD 4.33Å; Y125-K184 HydrophobicContact CE1-CG 4.23Å; E127-K184 IonicContact OE1-NZ 3.53Å; E127-K184 PolarHBondContact OE1-NZ 3.04Å; E127-K184 WeakPolarHBondContact OE2-CE 3.44Å; E127-K184 IonicContact OE2-NZ 2.75Å; E127-K184 PolarHBondContact OE2-NZ 3.17Å; E127-K184 VanDerWaalsContact OE2-NZ 3.14Å; Y180-K184 HydrophobicContact CD2-CG 4.37Å; Y180-K184 HydrophobicContact CE1-CG 4.21Å; Y180-K184 HydrophobicContact CE2-CD 4.43Å; Y180-K184 HydrophobicContact CE2-CG 3.96Å; Y180-K184 WeakPolarHBondContact O-CG 3.44Å; Y180-K184 PolarHBondContact O-N 3.29Å; W181-K184 PolarHBondContact O-N 2.94Å; K184-D186 PolarHBondContact O-N 3.26Å; K184-R295 PolarHBondContact O-NH2 3.16Å
185A94.7Very high92.3Very high0 Ų022.3 Ų22.30%011%0.108CC..  trans-13.5109.4155.700000118.5L63 L65 W181 I188 K216L63-A185 HydrophobicContact CB-CB 4.35Å; L63-A185 HydrophobicContact CD2-CB 3.33Å; L63-A185 HydrophobicContact CG-CB 4.41Å; L63-A185 WeakPolarHBondContact O-CB 3.46Å; L65-A185 HydrophobicContact CB-CB 3.73Å; W181-A185 WeakPolarHBondContact O-CA 3.48Å; W181-A185 WeakPolarHBondContact O-CB 3.47Å; W181-A185 PolarHBondContact O-N 2.98Å; A185-I188 HydrophobicContact CB-CG1 4.3Å; A185-K216 WeakPolarHBondContact O-CD 3.29Å; A185-K216 WeakPolarHBondContact O-CE 3.42Å; A185-K216 PolarHBondContact O-NZ 3.03Å
186D94.4Very high91.9Very high2 Ų224 Ų241%0.01111%0.113CC..SBendtrans-83.7-42.9158.7-72.9-82.8000111.2P62 L63 K184 M288 V292 R295P62-D186 WeakPolarHBondContact CA-OD2 3.38Å; P62-D186 HydrophobicContact CB-CB 3.83Å; L63-D186 PolarHBondContact N-OD2 3.01Å; L63-D186 WeakPolarHBondContact O-CB 3.33Å; L63-D186 PolarHBondContact O-N 3.33Å; K184-D186 PolarHBondContact O-N 3.26Å; D186-M288 HydrophobicContact CB-CG 4.43Å; D186-M288 HydrophobicContact CB-SD 3.98Å; D186-V292 WeakPolarHBondContact OD1-CG2 3.44Å; D186-R295 IonicContact OD1-CZ 3.88Å; D186-R295 VanDerWaalsContact OD1-CZ 3.3Å; D186-R295 IonicContact OD1-NE 3.95Å; D186-R295 PolarHBondContact OD1-NE 3.42Å; D186-R295 IonicContact OD1-NH2 3.59Å; D186-R295 PolarHBondContact OD1-NH2 3.22Å; D186-R295 VanDerWaalsContact OD1-NH2 3.1Å; D186-R295 IonicContact OD2-CZ 3.95Å; D186-R295 IonicContact OD2-NE 3.05Å; D186-R295 IonicContact OD2-NH2 2.73Å; D186-R295 PolarHBondContact OD2-NH2 3.2Å
187R95.1Very high91.3Very high34 Ų3423.9 Ų23.913%0.12811%0.108CC..EExtended strand (participates in β ladder)trans-140.3153.1167.7-66.5-68.8-173.6-87.9-4.4110.8L63 L64 L65 K216 L218 M288 D291L63-R187 PolarHBondContact O-N 3.11Å; L64-R187 HydrophobicContact CD1-CB 3.76Å; L65-R187 PolarHBondContact N-O 3.12Å; R187-K216 WeakPolarHBondContact CA-O 3.35Å; R187-K216 WeakPolarHBondContact CD-O 3.29Å; R187-L218 HydrophobicContact CB-CD1 4.05Å; R187-L218 HydrophobicContact CB-CG 4.43Å; R187-L218 HydrophobicContact CG-CD1 4.22Å; R187-M288 HydrophobicContact CB-CG 4.32Å; R187-M288 HydrophobicContact CB-SD 3.48Å; R187-M288 WeakPolarHBondContact CB-SD 3.21Å; R187-M288 HydrophobicContact CG-CG 3.47Å; R187-M288 VanDerWaalsContact CG-CG 3.47Å; R187-M288 HydrophobicContact CG-SD 3.31Å; R187-M288 WeakPolarHBondContact CG-SD 3.43Å; R187-D291 IonicContact CZ-OD2 2.69Å; R187-D291 IonicContact NH2-OD2 3.71Å; R187-D291 PolarHBondContact NH2-OD2 3.41Å
188I96.1Very high90.3Very high0 Ų031.2 Ų31.20%015%0.147CC..EExtended strand (participates in β ladder)trans-122.6108.5-177.9-54.9165.5000108L65 L67 I182 A185 V190 K216 C217 L218L65-I188 HydrophobicContact CD2-CG1 4.39Å; L65-I188 HydrophobicContact CD2-CG2 4.32Å; L65-I188 CarbonylContact O-C 3.45Å; L65-I188 WeakPolarHBondContact O-CA 3.49Å; L67-I188 HydrophobicContact CD1-CG2 3.57Å; L67-I188 HydrophobicContact CG-CG2 4.05Å; I182-I188 HydrophobicContact CB-CD1 4.2Å; I182-I188 HydrophobicContact CG1-CD1 4.05Å; I182-I188 HydrophobicContact CG2-CD1 3.77Å; A185-I188 HydrophobicContact CB-CG1 4.3Å; I188-V190 HydrophobicContact CG2-CG2 4.04Å; I188-V190 PolarHBondContact O-N 2.89Å; I188-K216 HydrophobicContact CD1-CB 3.95Å; I188-K216 HydrophobicContact CD1-CD 4.24Å; I188-K216 HydrophobicContact CG1-CB 4.13Å; I188-K216 PolarHBondContact N-O 3.33Å; I188-C217 CarbonylContact O-C 3.59Å; I188-C217 VanDerWaalsContact O-CA 3.31Å; I188-C217 WeakPolarHBondContact O-CA 3.35Å; I188-L218 PolarHBondContact O-N 3.2Å
189V96.2Very high89.3Confident0 Ų031.1 Ų31.10%015%0.146CC..EExtended strand (participates in β ladder)trans-84.1111.5174.9-173.10000108.7L64 L65 F66 L67 M77 V191 L218 V220L64-V189 HydrophobicContact CD1-CG2 3.54Å; L64-V189 HydrophobicContact CD2-CG2 4.27Å; L64-V189 HydrophobicContact CG-CG2 3.95Å; L65-V189 PolarHBondContact O-N 2.86Å; F66-V189 WeakPolarHBondContact CA-O 3.23Å; F66-V189 HydrophobicContact CD1-CB 3.91Å; F66-V189 HydrophobicContact CD1-CG1 4Å; F66-V189 HydrophobicContact CE1-CB 3.91Å; F66-V189 HydrophobicContact CE1-CG1 3.78Å; F66-V189 HydrophobicContact CE1-CG2 4.21Å; F66-V189 HydrophobicContact CE2-CG2 4.39Å; F66-V189 HydrophobicContact CG-CB 4.3Å; F66-V189 HydrophobicContact CZ-CB 4.28Å; F66-V189 HydrophobicContact CZ-CG1 4.45Å; F66-V189 HydrophobicContact CZ-CG2 4.1Å; L67-V189 PolarHBondContact N-O 3.47Å; M77-V189 HydrophobicContact CE-CG1 4.33Å; M77-V189 HydrophobicContact SD-CG1 4.46Å; V189-V191 HydrophobicContact CG1-CG2 3.77Å; V189-L218 WeakPolarHBondContact CA-O 3.22Å; V189-L218 HydrophobicContact CG2-CB 4.47Å; V189-L218 HydrophobicContact CG2-CD1 4.42Å; V189-V220 HydrophobicContact CG1-CB 4.41Å; V189-V220 HydrophobicContact CG1-CG2 3.65Å
190V93.9Very high88.4Confident6 Ų628.3 Ų28.34%0.03614%0.14CC..EExtended strand (participates in β ladder)trans-100.8106.5176.2-168.10000108.5L67 I188 F192 L218 I219 V220L67-V190 WeakPolarHBondContact O-CA 3.28Å; I188-V190 HydrophobicContact CG2-CG2 4.04Å; I188-V190 PolarHBondContact O-N 2.89Å; V190-F192 HydrophobicContact CB-CE2 4.16Å; V190-F192 HydrophobicContact CG1-CD2 4.23Å; V190-F192 HydrophobicContact CG1-CE2 3.42Å; V190-F192 VanDerWaalsContact CG1-CE2 3.42Å; V190-F192 HydrophobicContact CG1-CZ 3.8Å; V190-L218 PolarHBondContact N-O 3.13Å; V190-I219 HydrophobicContact CB-CD1 3.8Å; V190-I219 HydrophobicContact CG2-CD1 4.02Å; V190-V220 PolarHBondContact O-N 3.37Å
191V94Very high87.6Confident0 Ų035.3 Ų35.30%017%0.172CC..EExtended strand (participates in β ladder)trans-96.6119.1-172.8-172.30000110.5F66 L67 P69 S72 K74 M77 V189 N222F66-V191 HydrophobicContact CD1-CG2 4.01Å; F66-V191 HydrophobicContact CE1-CG2 4.45Å; L67-V191 PolarHBondContact O-N 3.09Å; P69-V191 WeakPolarHBondContact CD-O 3.25Å; S72-V191 WeakPolarHBondContact CB-O 3.24Å; S72-V191 WeakPolarHBondContact O-CG1 3.35Å; S72-V191 PolarHBondContact OG-O 3.31Å; K74-V191 HydrophobicContact CG-CB 4.01Å; K74-V191 HydrophobicContact CG-CG2 3.98Å; M77-V191 HydrophobicContact SD-CG2 4.11Å; V189-V191 HydrophobicContact CG1-CG2 3.77Å; V191-N222 HydrophobicContact CG1-CB 3.84Å
192F92.3Very high86.4Confident4 Ų435.7 Ų35.72%0.01818%0.175CC..EExtended strand (participates in β ladder)trans-106.9152.9172-66.5-88.8000110.9V190 M203 I219 V220 L221 N222 L239 L243V190-F192 HydrophobicContact CB-CE2 4.16Å; V190-F192 HydrophobicContact CG1-CD2 4.23Å; V190-F192 HydrophobicContact CG1-CE2 3.42Å; V190-F192 VanDerWaalsContact CG1-CE2 3.42Å; V190-F192 HydrophobicContact CG1-CZ 3.8Å; F192-M203 HydrophobicContact CE1-CE 3.79Å; F192-M203 HydrophobicContact CZ-CE 3.99Å; F192-I219 HydrophobicContact CD2-CG2 4.02Å; F192-I219 HydrophobicContact CE2-CG2 4.07Å; F192-V220 PolarHBondContact N-O 3.31Å; F192-L221 HydrophobicContact CB-CD1 4.28Å; F192-N222 WeakPolarHBondContact O-CB 3.45Å; F192-N222 PolarHBondContact O-N 2.98Å; F192-L239 HydrophobicContact CB-CD1 4.4Å; F192-L239 HydrophobicContact CB-CD2 4.2Å; F192-L239 HydrophobicContact CD1-CD1 3.74Å; F192-L239 HydrophobicContact CD2-CD1 3.96Å; F192-L239 HydrophobicContact CD2-CD2 4.04Å; F192-L239 HydrophobicContact CE1-CD1 3.91Å; F192-L239 HydrophobicContact CE2-CD1 4.11Å; F192-L239 HydrophobicContact CG-CD1 3.76Å; F192-L239 HydrophobicContact CG-CD2 4.15Å; F192-L239 HydrophobicContact CZ-CD1 4.1Å; F192-L243 HydrophobicContact CE2-CD1 4.4Å; F192-L243 HydrophobicContact CE2-CD2 4.29Å; F192-L243 HydrophobicContact CZ-CD2 3.84Å
193D90.1Very high85.8Confident5 Ų535.9 Ų35.93%0.02718%0.175CC..EExtended strand (participates in β ladder)trans-102.3134.2173.6-177.5-23.9000108.6F195 K196 K223D193-F195 PolarHBondContact O-N 3.4Å; D193-F195 WeakPolarHBondContact OD1-CD2 3.49Å; D193-F195 PolarHBondContact OD1-N 3.38Å; D193-K196 HydrophobicContact CB-CB 4.31Å; D193-K196 CarbonylContact O-C 3.56Å; D193-K196 PolarHBondContact O-N 2.96Å; D193-K223 WeakPolarHBondContact OD2-CD 3.33Å; D193-K223 WeakPolarHBondContact OD2-CE 3.36Å; D193-K223 IonicContact OD2-NZ 3.3Å; D193-K223 PolarHBondContact OD2-NZ 3.1Å
194V90.3Very high85.5Confident10 Ų1037.9 Ų37.96%0.06118%0.183CC..THydrogen-bonded Turntrans-54.3-24.6175.8-70.60000114.6L197 L221 N222 K223 A224 I227 L232V194-L197 WeakPolarHBondContact O-CG 3.37Å; V194-L221 HydrophobicContact CB-CD1 4.4Å; V194-L221 HydrophobicContact CG1-CD1 3.67Å; V194-L221 HydrophobicContact CG1-CD2 4.03Å; V194-L221 HydrophobicContact CG1-CG 3.63Å; V194-N222 WeakPolarHBondContact CG1-O 3.44Å; V194-N222 PolarHBondContact N-O 3.07Å; V194-K223 HydrophobicContact CG2-CB 4.12Å; V194-K223 WeakPolarHBondContact CG2-O 3.37Å; V194-A224 HydrophobicContact CG1-CB 4.32Å; V194-I227 HydrophobicContact CB-CD1 3.78Å; V194-I227 HydrophobicContact CB-CG1 4.47Å; V194-I227 HydrophobicContact CG1-CD1 3.8Å; V194-I227 HydrophobicContact CG1-CG1 4.46Å; V194-I227 HydrophobicContact CG2-CD1 4.2Å; V194-I227 HydrophobicContact CG2-CG1 4.38Å; V194-I227 HydrophobicContact CG2-CG2 4.2Å; V194-L232 HydrophobicContact CG1-CD1 4.09Å
195F84.7Confident85.1Confident117 Ų11741 Ų4151%0.51320%0.201SC..THydrogen-bonded Turntrans-88.8-11.9177.2-60.8-73.7000113.9D193 Q226 I227D193-F195 PolarHBondContact O-N 3.4Å; D193-F195 WeakPolarHBondContact OD1-CD2 3.49Å; D193-F195 PolarHBondContact OD1-N 3.38Å; F195-Q226 HydrophobicContact CE2-CB 3.59Å; F195-Q226 HydrophobicContact CE2-CG 4.23Å; F195-Q226 HydrophobicContact CZ-CB 3.57Å; F195-I227 HydrophobicContact CE1-CG2 3.66Å; F195-I227 HydrophobicContact CZ-CG2 3.64Å
196K78.6Confident84.7Confident97 Ų9741.2 Ų41.242%0.42220%0.202SC..BIsolated β-bridgetrans-130.469.9-177.1-62-176.9-175.3176.90110.3F70 D193F70-K196 PolarHBondContact O-NZ 3.3Å; D193-K196 HydrophobicContact CB-CB 4.31Å; D193-K196 CarbonylContact O-C 3.56Å; D193-K196 PolarHBondContact O-N 2.96Å
197L77.2Confident84.3Confident29 Ų2941.3 Ų41.315%0.15220%0.202CC..  trans-88.8-20.3-177.9-57.7172.7000113.2V194 I199 L221 A235 A238 L239V194-L197 WeakPolarHBondContact O-CG 3.37Å; L197-I199 PolarHBondContact O-N 3.31Å; L197-L221 HydrophobicContact CD2-CD1 3.68Å; L197-A235 VanDerWaalsContact CD1-CA 3.42Å; L197-A235 HydrophobicContact CD1-CB 3.51Å; L197-A235 HydrophobicContact CD2-CB 4.4Å; L197-A238 HydrophobicContact CD1-CB 4.26Å; L197-L239 HydrophobicContact CD2-CB 4.38Å
198D68.9Low84Confident156 Ų15644 Ų4483%0.83422%0.219SC*.SBendtrans-68.7122.2177.5-69.9-29.4000110S200D198-S200 PolarHBondContact O-N 2.9Å; D198-S200 VanDerWaalsContact O-N 3.1Å
199I72.5Confident83.7Confident16 Ų1645.6 Ų45.68%0.08223%0.228CC..  trans-75.8100.2175.8-60.5179.2000107.2L197 M203 K204 S242 L243L197-I199 PolarHBondContact O-N 3.31Å; I199-M203 HydrophobicContact CB-CB 4.46Å; I199-M203 HydrophobicContact CG2-CB 3.56Å; I199-K204 HydrophobicContact CG2-CB 4.43Å; I199-K204 HydrophobicContact CG2-CG 3.63Å; I199-S242 WeakPolarHBondContact CD1-OG 3.49Å; I199-S242 WeakPolarHBondContact CG1-OG 3.38Å; I199-L243 HydrophobicContact CD1-CD2 3.88Å
200S73.7Confident83.4Confident44 Ų4445.8 Ų45.831%0.30823%0.228SC..  trans-57.2162.717164.30000111.4D198 D202 M203 K204D198-S200 PolarHBondContact O-N 2.9Å; D198-S200 VanDerWaalsContact O-N 3.1Å; S200-D202 VanDerWaalsContact C-N 3.34Å; S200-D202 PolarHBondContact O-N 3.26Å; S200-M203 WeakPolarHBondContact O-CA 3.41Å; S200-M203 WeakPolarHBondContact O-CB 3.36Å; S200-M203 PolarHBondContact O-N 2.91Å; S200-M203 PolarHBondContact OG-N 3.34Å; S200-K204 PolarHBondContact O-N 2.81Å
201E74.3Confident83.1Confident149 Ų14945.9 Ų45.970%0.69623%0.229SC*.Hα-helixtrans-54.4-47.7178.5-65.8-168.7158.200112.3M203 K204 D205E201-M203 PolarHBondContact O-N 3.37Å; E201-M203 VanDerWaalsContact O-N 3.17Å; E201-K204 WeakPolarHBondContact O-CA 3.46Å; E201-K204 VanDerWaalsContact O-CB 3.26Å; E201-K204 WeakPolarHBondContact O-CB 3.24Å; E201-K204 PolarHBondContact O-N 3.14Å; E201-D205 PolarHBondContact O-N 2.83Å; E201-D205 VanDerWaalsContact O-N 3.08Å
202D71.1Confident82.7Confident10 Ų1050.1 Ų50.15%0.05326%0.257CS..Hα-helixtrans-58-31.7174.1-69.551.6000114.4I160 A162 T163 R174 S200 L206I160-D202 HydrophobicContact CG2-CB 3.49Å; I160-D202 VanDerWaalsContact CG2-CB 3.49Å; A162-D202 WeakPolarHBondContact CA-OD1 3.17Å; T163-D202 PolarHBondContact N-OD2 2.96Å; R174-D202 IonicContact NH1-OD2 3.25Å; R174-D202 IonicContact NH2-OD2 2.8Å; S200-D202 VanDerWaalsContact C-N 3.34Å; S200-D202 PolarHBondContact O-N 3.26Å; D202-L206 PolarHBondContact O-N 3.43Å; D202-L206 VanDerWaalsContact O-N 3.1Å
203M81.6Confident82.6Confident3 Ų352.1 Ų52.12%0.01527%0.265CS..Hα-helixtrans-75.6-29.3175.2-77.9-64.2-57.200111.1P69 I160 F192 I199 S200 E201 D205 L206 V207P69-M203 HydrophobicContact CB-CG 4.26Å; P69-M203 HydrophobicContact CB-SD 4.07Å; P69-M203 HydrophobicContact CG-SD 4.36Å; I160-M203 HydrophobicContact CB-SD 3.98Å; I160-M203 HydrophobicContact CD1-SD 4.09Å; I160-M203 HydrophobicContact CG1-SD 4.44Å; I160-M203 HydrophobicContact CG2-SD 4.26Å; F192-M203 HydrophobicContact CE1-CE 3.79Å; F192-M203 HydrophobicContact CZ-CE 3.99Å; I199-M203 HydrophobicContact CB-CB 4.46Å; I199-M203 HydrophobicContact CG2-CB 3.56Å; S200-M203 WeakPolarHBondContact O-CA 3.41Å; S200-M203 WeakPolarHBondContact O-CB 3.36Å; S200-M203 PolarHBondContact O-N 2.91Å; S200-M203 PolarHBondContact OG-N 3.34Å; E201-M203 PolarHBondContact O-N 3.37Å; E201-M203 VanDerWaalsContact O-N 3.17Å; M203-D205 VanDerWaalsContact C-N 3.33Å; M203-L206 HydrophobicContact CE-CD2 3.91Å; M203-L206 PolarHBondContact O-N 3.07Å; M203-L206 HydrophobicContact SD-CD2 4.04Å; M203-V207 WeakPolarHBondContact O-CB 3.46Å; M203-V207 WeakPolarHBondContact O-CG2 3.5Å; M203-V207 PolarHBondContact O-N 2.92Å
204K83.1Confident82.5Confident102 Ų10254.2 Ų54.244%0.44327%0.274SS..Hα-helixtrans-64.6-41.1171.2-62.6178-175.5166.70110.5I199 S200 E201 V207 N208I199-K204 HydrophobicContact CG2-CB 4.43Å; I199-K204 HydrophobicContact CG2-CG 3.63Å; S200-K204 PolarHBondContact O-N 2.81Å; E201-K204 WeakPolarHBondContact O-CA 3.46Å; E201-K204 VanDerWaalsContact O-CB 3.26Å; E201-K204 WeakPolarHBondContact O-CB 3.24Å; E201-K204 PolarHBondContact O-N 3.14Å; K204-V207 PolarHBondContact O-N 3.3Å; K204-N208 WeakPolarHBondContact O-CB 3.39Å; K204-N208 PolarHBondContact O-N 3.14Å; K204-N208 PolarHBondContact O-ND2 2.92Å; K204-N208 VanDerWaalsContact O-ND2 3.17Å
205D83.8Confident82.3Confident77 Ų7761.2 Ų61.241%0.41230%0.301SS..Hα-helixtrans-62.9-45.9175.9-66.8-24.2000111.4E201 M203 V207 N208 I209E201-D205 PolarHBondContact O-N 2.83Å; E201-D205 VanDerWaalsContact O-N 3.08Å; M203-D205 VanDerWaalsContact C-N 3.33Å; D205-V207 PolarHBondContact O-N 3.24Å; D205-N208 WeakPolarHBondContact O-CB 3.22Å; D205-N208 PolarHBondContact O-N 3.06Å; D205-I209 WeakPolarHBondContact O-CG1 3.27Å; D205-I209 PolarHBondContact O-N 2.85Å
206L87.3Confident82.6Confident4 Ų456 Ų562%0.02128%0.278CS..Hα-helixtrans-55.8-50.6171.9-177.969.4000111.4L67 I160 I178 D202 M203 N208 I209 V210L67-L206 HydrophobicContact CB-CD2 4.01Å; L67-L206 HydrophobicContact CD1-CD1 3.96Å; L67-L206 HydrophobicContact CD1-CD2 4.46Å; L67-L206 HydrophobicContact CD2-CD1 4.45Å; I160-L206 HydrophobicContact CD1-CB 3.53Å; I160-L206 HydrophobicContact CD1-CD1 3.64Å; I160-L206 HydrophobicContact CD1-CD2 3.36Å; I160-L206 HydrophobicContact CD1-CG 3.62Å; I178-L206 HydrophobicContact CD1-CD1 4.2Å; I178-L206 HydrophobicContact CG2-CD1 3.67Å; D202-L206 PolarHBondContact O-N 3.43Å; D202-L206 VanDerWaalsContact O-N 3.1Å; M203-L206 HydrophobicContact CE-CD2 3.91Å; M203-L206 PolarHBondContact O-N 3.07Å; M203-L206 HydrophobicContact SD-CD2 4.04Å; L206-N208 PolarHBondContact O-N 3.3Å; L206-I209 PolarHBondContact O-N 2.7Å; L206-I209 VanDerWaalsContact O-N 3.11Å; L206-V210 HydrophobicContact CD1-CG2 4.14Å; L206-V210 HydrophobicContact CG-CG2 4.13Å; L206-V210 WeakPolarHBondContact O-CB 3.44Å; L206-V210 VanDerWaalsContact O-CG2 3.27Å; L206-V210 WeakPolarHBondContact O-CG2 3.15Å; L206-V210 PolarHBondContact O-N 3.09Å
207V86.3Confident83.3Confident4 Ų451.7 Ų51.72%0.02426%0.26CS..Hα-helixtrans-62.9-35.1-178174.10000110.7M203 K204 D205 I209 V210 S211 L243 S246 F247M203-V207 WeakPolarHBondContact O-CB 3.46Å; M203-V207 WeakPolarHBondContact O-CG2 3.5Å; M203-V207 PolarHBondContact O-N 2.92Å; K204-V207 PolarHBondContact O-N 3.3Å; D205-V207 PolarHBondContact O-N 3.24Å; V207-I209 PolarHBondContact O-N 3.07Å; V207-V210 PolarHBondContact O-N 3.23Å; V207-S211 WeakPolarHBondContact O-CA 3.49Å; V207-S211 WeakPolarHBondContact O-CB 3.4Å; V207-S211 PolarHBondContact O-N 3.04Å; V207-L243 HydrophobicContact CG2-CD2 4.48Å; V207-S246 VanDerWaalsContact CG1-CB 3.41Å; V207-F247 HydrophobicContact CG1-CD2 4.01Å; V207-F247 HydrophobicContact CG1-CE2 3.91Å; V207-F247 HydrophobicContact CG1-CG 4.41Å; V207-F247 HydrophobicContact CG1-CZ 4.21Å
208N87.4Confident84.2Confident91 Ų9150.6 Ų50.649%0.48725%0.254SS..Hα-helixtrans-63.9-39.4174-73-31.8000112.5K204 D205 L206 P212K204-N208 WeakPolarHBondContact O-CB 3.39Å; K204-N208 PolarHBondContact O-N 3.14Å; K204-N208 PolarHBondContact O-ND2 2.92Å; K204-N208 VanDerWaalsContact O-ND2 3.17Å; D205-N208 WeakPolarHBondContact O-CB 3.22Å; D205-N208 PolarHBondContact O-N 3.06Å; L206-N208 PolarHBondContact O-N 3.3Å; N208-P212 WeakPolarHBondContact O-CD 3.32Å
209I89.4Confident85.4Confident34 Ų3443.1 Ų43.117%0.17421%0.214CC..Hα-helixtrans-69.6-38.2175.8-61.4165000110.8D175 I178 K179 I182 D205 L206 V207 P212D175-I209 HydrophobicContact CB-CD1 3.74Å; I178-I209 HydrophobicContact CG2-CG2 4.35Å; K179-I209 HydrophobicContact CB-CG2 3.98Å; K179-I209 HydrophobicContact CG-CG2 4.46Å; I182-I209 HydrophobicContact CD1-CG2 3.76Å; D205-I209 WeakPolarHBondContact O-CG1 3.27Å; D205-I209 PolarHBondContact O-N 2.85Å; L206-I209 PolarHBondContact O-N 2.7Å; L206-I209 VanDerWaalsContact O-N 3.11Å; V207-I209 PolarHBondContact O-N 3.07Å; I209-P212 WeakPolarHBondContact O-CD 3.36Å
210V90.3Very high86.4Confident3 Ų342.4 Ų42.42%0.01821%0.211CC..Hα-helixtrans-78.5-28-179173.90000112.5L67 I182 L206 V207 P212 Y213 E214 C217 F247L67-V210 HydrophobicContact CD1-CG2 3.77Å; I182-V210 HydrophobicContact CD1-CB 4.45Å; I182-V210 HydrophobicContact CD1-CG2 3.47Å; I182-V210 VanDerWaalsContact CD1-CG2 3.47Å; I182-V210 HydrophobicContact CG1-CG2 4.37Å; L206-V210 HydrophobicContact CD1-CG2 4.14Å; L206-V210 HydrophobicContact CG-CG2 4.13Å; L206-V210 WeakPolarHBondContact O-CB 3.44Å; L206-V210 VanDerWaalsContact O-CG2 3.27Å; L206-V210 WeakPolarHBondContact O-CG2 3.15Å; L206-V210 PolarHBondContact O-N 3.09Å; V207-V210 PolarHBondContact O-N 3.23Å; V210-P212 VanDerWaalsContact C-CD 3.44Å; V210-Y213 CarbonylContact O-C 3.54Å; V210-Y213 VanDerWaalsContact O-CA 3.31Å; V210-Y213 WeakPolarHBondContact O-CA 3.19Å; V210-Y213 WeakPolarHBondContact O-CB 3.42Å; V210-Y213 PolarHBondContact O-N 3.15Å; V210-E214 PolarHBondContact O-N 2.82Å; V210-C217 WeakPolarHBondContact CG1-SG 3.42Å; V210-F247 HydrophobicContact CG1-CE1 4.18Å; V210-F247 HydrophobicContact CG1-CZ 4.21Å
211S87.4Confident87.4Confident8 Ų840.3 Ų40.36%0.05620%0.196CC..G310 helixtrans-50.5-43.2-173.9179.60000114.2V207 Y213 E214V207-S211 WeakPolarHBondContact O-CA 3.49Å; V207-S211 WeakPolarHBondContact O-CB 3.4Å; V207-S211 PolarHBondContact O-N 3.04Å; S211-Y213 PolarHBondContact O-N 3.46Å; S211-Y213 VanDerWaalsContact O-N 3.12Å; S211-E214 WeakPolarHBondContact O-CB 3.2Å; S211-E214 PolarHBondContact O-N 2.9Å
212P86.3Confident88.4Confident89 Ų8933.3 Ų33.358%0.57816%0.163SC*.G310 helixtrans-63.8-16.7174.5-20.934000114.8N208 I209 V210N208-P212 WeakPolarHBondContact O-CD 3.32Å; I209-P212 WeakPolarHBondContact O-CD 3.36Å; V210-P212 VanDerWaalsContact C-CD 3.44Å
213Y89.6Confident89.4Confident47 Ų4734.2 Ų34.218%0.18417%0.167CC..G310 helixtrans-114.420.5-176-56.1-80.2000112.1I182 E183 V210 S211 Y215 K216I182-Y213 HydrophobicContact CG2-CD1 4.16Å; I182-Y213 HydrophobicContact CG2-CD2 3.14Å; I182-Y213 HydrophobicContact CG2-CE2 3.62Å; I182-Y213 HydrophobicContact CG2-CG 3.42Å; I182-Y213 VanDerWaalsContact CG2-CG 3.42Å; E183-Y213 HydrophobicContact CG-CE1 4.27Å; E183-Y213 WeakPolarHBondContact CG-OH 3.21Å; E183-Y213 PolarHBondContact OE1-OH 3.35Å; E183-Y213 VanDerWaalsContact OE1-OH 3.1Å; V210-Y213 CarbonylContact O-C 3.54Å; V210-Y213 VanDerWaalsContact O-CA 3.31Å; V210-Y213 WeakPolarHBondContact O-CA 3.19Å; V210-Y213 WeakPolarHBondContact O-CB 3.42Å; V210-Y213 PolarHBondContact O-N 3.15Å; S211-Y213 PolarHBondContact O-N 3.46Å; S211-Y213 VanDerWaalsContact O-N 3.12Å; Y213-Y215 PolarHBondContact O-N 3.46Å; Y213-Y215 VanDerWaalsContact O-N 3.09Å; Y213-K216 HydrophobicContact CD1-CD 4.4Å; Y213-K216 VanDerWaalsContact O-CB 3.32Å; Y213-K216 WeakPolarHBondContact O-CB 3.36Å; Y213-K216 PolarHBondContact O-N 3.06Å
214E88.3Confident90Very high48 Ų4834.1 Ų34.122%0.22417%0.166CC..G310 helixtrans-54.3-30.9-177.564.7-171.7-176.500114.1V210 S211 K216 C217 F247 C249V210-E214 PolarHBondContact O-N 2.82Å; S211-E214 WeakPolarHBondContact O-CB 3.2Å; S211-E214 PolarHBondContact O-N 2.9Å; E214-K216 PolarHBondContact O-N 2.91Å; E214-C217 VanDerWaalsContact O-CB 3.31Å; E214-C217 WeakPolarHBondContact O-CB 3.41Å; E214-C217 PolarHBondContact O-N 2.99Å; E214-F247 HydrophobicContact CB-CD1 3.62Å; E214-F247 HydrophobicContact CB-CE1 3.69Å; E214-C249 WeakPolarHBondContact OE1-CA 3.43Å; E214-C249 WeakPolarHBondContact OE1-CB 3.14Å; E214-C249 WeakPolarHBondContact OE2-CB 3.36Å; E214-C249 PolarHBondContact OE2-N 2.78Å; E214-C249 PolarHBondContact OE2-SG 3.13Å
215Y87Confident90.3Very high157 Ų15730.7 Ų30.762%0.61615%0.153SC*.G310 helixtrans-65.8-17.9175.769.4-89.3000113.6Y213Y213-Y215 PolarHBondContact O-N 3.46Å; Y213-Y215 VanDerWaalsContact O-N 3.09Å
216K91.5Very high90.6Very high7 Ų731.4 Ų31.43%0.0315%0.154CC..G310 helixtrans-87.6-13.6173.6-56.7-172.3179.6-173.60112.3I182 E183 A185 R187 I188 Y213 E214I182-K216 PolarHBondContact O-NZ 3.37Å; E183-K216 PolarHBondContact O-NZ 3.42Å; A185-K216 WeakPolarHBondContact O-CD 3.29Å; A185-K216 WeakPolarHBondContact O-CE 3.42Å; A185-K216 PolarHBondContact O-NZ 3.03Å; R187-K216 WeakPolarHBondContact CA-O 3.35Å; R187-K216 WeakPolarHBondContact CD-O 3.29Å; I188-K216 HydrophobicContact CD1-CB 3.95Å; I188-K216 HydrophobicContact CD1-CD 4.24Å; I188-K216 HydrophobicContact CG1-CB 4.13Å; I188-K216 PolarHBondContact N-O 3.33Å; Y213-K216 HydrophobicContact CD1-CD 4.4Å; Y213-K216 VanDerWaalsContact O-CB 3.32Å; Y213-K216 WeakPolarHBondContact O-CB 3.36Å; Y213-K216 PolarHBondContact O-N 3.06Å; E214-K216 PolarHBondContact O-N 2.91Å
217C93.5Very high90.7Very high8 Ų832.1 Ų32.15%0.05416%0.157CC..EExtended strand (participates in β ladder)trans-79.1135.7-168.7-66.30000113.1I188 V210 E214 I219 P253I188-C217 CarbonylContact O-C 3.59Å; I188-C217 VanDerWaalsContact O-CA 3.31Å; I188-C217 WeakPolarHBondContact O-CA 3.35Å; V210-C217 WeakPolarHBondContact CG1-SG 3.42Å; E214-C217 VanDerWaalsContact O-CB 3.31Å; E214-C217 WeakPolarHBondContact O-CB 3.41Å; E214-C217 PolarHBondContact O-N 2.99Å; C217-I219 HydrophobicContact CB-CD1 4.18Å; C217-P253 HydrophobicContact CB-CG 4.37Å
218L94.7Very high90.9Very high5 Ų534.5 Ų34.53%0.02617%0.174CC..EExtended strand (participates in β ladder)trans-115.9103.8167.7-58177.5000106.9R187 I188 V189 V190 L281 Q284 I285R187-L218 HydrophobicContact CB-CD1 4.05Å; R187-L218 HydrophobicContact CB-CG 4.43Å; R187-L218 HydrophobicContact CG-CD1 4.22Å; I188-L218 PolarHBondContact O-N 3.2Å; V189-L218 WeakPolarHBondContact CA-O 3.22Å; V189-L218 HydrophobicContact CG2-CB 4.47Å; V189-L218 HydrophobicContact CG2-CD1 4.42Å; V190-L218 PolarHBondContact N-O 3.13Å; L218-L281 HydrophobicContact CB-CD1 4.07Å; L218-L281 HydrophobicContact CD1-CD1 4.02Å; L218-Q284 HydrophobicContact CD1-CB 4.47Å; L218-Q284 HydrophobicContact CD2-CB 4.01Å; L218-I285 HydrophobicContact CD1-CG1 3.95Å
219I93.6Very high90.9Very high0 Ų033 Ų330%017%0.165CC..EExtended strand (participates in β ladder)trans-83.6125.1-177.6-53.9-57.7000108.8V190 F192 C217 L239 L243 P253 V255 H256V190-I219 HydrophobicContact CB-CD1 3.8Å; V190-I219 HydrophobicContact CG2-CD1 4.02Å; F192-I219 HydrophobicContact CD2-CG2 4.02Å; F192-I219 HydrophobicContact CE2-CG2 4.07Å; C217-I219 HydrophobicContact CB-CD1 4.18Å; I219-L239 HydrophobicContact CG2-CD2 4.09Å; I219-L243 HydrophobicContact CD1-CD1 4.38Å; I219-L243 HydrophobicContact CG1-CD1 4.28Å; I219-L243 HydrophobicContact CG2-CD1 3.88Å; I219-P253 HydrophobicContact CG1-CB 4.1Å; I219-V255 HydrophobicContact CB-CG2 4.37Å; I219-V255 HydrophobicContact CG2-CG1 4.27Å; I219-V255 HydrophobicContact CG2-CG2 4.05Å; I219-H256 PolarHBondContact O-CD2 3.45Å; I219-H256 PolarHBondContact O-N 2.86Å
220V95.1Very high90.9Very high0 Ų037 Ų370%019%0.186CC..EExtended strand (participates in β ladder)trans-119.8123.7-178.6178.90000109.7M77 V189 V190 F192 H256 F260 L281M77-V220 HydrophobicContact CE-CG1 4.36Å; M77-V220 HydrophobicContact CE-CG2 4.19Å; M77-V220 HydrophobicContact SD-CG1 4.19Å; V189-V220 HydrophobicContact CG1-CB 4.41Å; V189-V220 HydrophobicContact CG1-CG2 3.65Å; V190-V220 PolarHBondContact O-N 3.37Å; F192-V220 PolarHBondContact N-O 3.31Å; V220-H256 CarbonylContact C-O 3.58Å; V220-H256 WeakPolarHBondContact CA-O 3.41Å; V220-H256 HydrophobicContact CG2-CB 4.31Å; V220-F260 HydrophobicContact CG1-CD2 3.93Å; V220-F260 HydrophobicContact CG1-CE2 3.33Å; V220-F260 HydrophobicContact CG1-CZ 4.07Å; V220-L281 HydrophobicContact CG2-CD1 4.24Å; V220-L281 HydrophobicContact CG2-CD2 4.09Å
221L94.7Very high90.9Very high0 Ų041.6 Ų41.60%021%0.207CC..EExtended strand (participates in β ladder)trans-98.899.9169.9-176.559.9000108.8F192 V194 L197 L232 A235 Q236 L239 V255 H256 V257 G258F192-L221 HydrophobicContact CB-CD1 4.28Å; V194-L221 HydrophobicContact CB-CD1 4.4Å; V194-L221 HydrophobicContact CG1-CD1 3.67Å; V194-L221 HydrophobicContact CG1-CD2 4.03Å; V194-L221 HydrophobicContact CG1-CG 3.63Å; L197-L221 HydrophobicContact CD2-CD1 3.68Å; L221-L232 HydrophobicContact CD2-CD1 4.07Å; L221-A235 HydrophobicContact CD2-CB 4.32Å; L221-Q236 HydrophobicContact CD2-CB 4.43Å; L221-L239 HydrophobicContact CB-CD2 4.45Å; L221-L239 HydrophobicContact CD1-CD2 4.26Å; L221-V255 HydrophobicContact CB-CG1 3.87Å; L221-H256 PolarHBondContact N-O 3.09Å; L221-V257 HydrophobicContact CB-CG2 4.38Å; L221-V257 HydrophobicContact CD2-CG2 4.47Å; L221-G258 PolarHBondContact O-N 2.93Å; L221-G258 VanDerWaalsContact O-N 3.09Å
222N94.6Very high91.2Very high3 Ų341.4 Ų41.42%0.01621%0.205CC..EExtended strand (participates in β ladder)trans-91.3164.5-173.2-163.317.3000112.2S72 V191 F192 V194 A224 G258 F260S72-N222 PolarHBondContact O-ND2 2.83Å; V191-N222 HydrophobicContact CG1-CB 3.84Å; F192-N222 WeakPolarHBondContact O-CB 3.45Å; F192-N222 PolarHBondContact O-N 2.98Å; V194-N222 WeakPolarHBondContact CG1-O 3.44Å; V194-N222 PolarHBondContact N-O 3.07Å; N222-A224 PolarHBondContact O-N 3.41Å; N222-G258 CarbonylContact C-O 3.56Å; N222-G258 VanDerWaalsContact CA-O 3.27Å; N222-G258 WeakPolarHBondContact CA-O 3.44Å; N222-F260 PolarHBondContact OD1-N 2.78Å
223K92.8Very high91.3Very high29 Ų2941.9 Ų41.913%0.12620%0.199CC..  trans62.425.9-178.9-51.7-176.3-166.2169.60113.7S71 D193 V194 D225 Q226 G258 S259S71-K223 WeakPolarHBondContact O-CE 3.35Å; S71-K223 PolarHBondContact O-NZ 3.43Å; D193-K223 WeakPolarHBondContact OD2-CD 3.33Å; D193-K223 WeakPolarHBondContact OD2-CE 3.36Å; D193-K223 IonicContact OD2-NZ 3.3Å; D193-K223 PolarHBondContact OD2-NZ 3.1Å; V194-K223 HydrophobicContact CG2-CB 4.12Å; V194-K223 WeakPolarHBondContact CG2-O 3.37Å; K223-D225 PolarHBondContact O-N 2.76Å; K223-Q226 HydrophobicContact CB-CG 4.39Å; K223-Q226 WeakPolarHBondContact O-CB 2.98Å; K223-Q226 PolarHBondContact O-N 2.86Å; K223-Q226 VanDerWaalsContact O-N 3.15Å; K223-G258 PolarHBondContact N-O 3.14Å; K223-G258 VanDerWaalsContact N-O 3.12Å; K223-S259 VanDerWaalsContact C-OG 3.27Å; K223-S259 WeakPolarHBondContact CA-OG 3.46Å
224A92.6Very high91.4Very high0 Ų048 Ų480%022%0.222CC..G310 helixtrans-63.2-23.1-177.200000114.2V194 N222 Q226 I227 L232 V257 G258 S259 F274V194-A224 HydrophobicContact CG1-CB 4.32Å; N222-A224 PolarHBondContact O-N 3.41Å; A224-Q226 PolarHBondContact O-N 3.33Å; A224-I227 WeakPolarHBondContact O-CG1 3.18Å; A224-L232 HydrophobicContact CB-CD1 3.68Å; A224-L232 HydrophobicContact CB-CD2 4.21Å; A224-V257 HydrophobicContact CB-CG1 3.61Å; A224-G258 WeakPolarHBondContact CB-O 3.38Å; A224-G258 PolarHBondContact N-O 3.31Å; A224-S259 PolarHBondContact N-OG 3.46Å; A224-F274 HydrophobicContact CB-CE1 3.61Å; A224-F274 HydrophobicContact CB-CE2 4.32Å; A224-F274 HydrophobicContact CB-CZ 3.48Å; A224-F274 VanDerWaalsContact CB-CZ 3.48Å
225D90.8Very high91.6Very high31 Ų3146 Ų4617%0.16621%0.214CC..G310 helixtrans-69.3-11.5175.671.4-35.5000114.6K223 S259 W261 I265 F274K223-D225 PolarHBondContact O-N 2.76Å; D225-S259 WeakPolarHBondContact CB-OG 3.41Å; D225-S259 PolarHBondContact N-OG 3.1Å; D225-S259 VanDerWaalsContact OD1-CB 3.27Å; D225-S259 WeakPolarHBondContact OD1-CB 3.48Å; D225-S259 PolarHBondContact OD1-OG 2.94Å; D225-W261 VanDerWaalsContact OD1-CZ2 3.27Å; D225-W261 WeakPolarHBondContact OD1-CZ2 3.34Å; D225-W261 WeakPolarHBondContact OD2-CZ2 3.32Å; D225-W261 PolarHBondContact OD2-NE1 3.5Å; D225-I265 HydrophobicContact CB-CG1 4.31Å; D225-I265 HydrophobicContact CB-CG2 4.31Å; D225-F274 HydrophobicContact CB-CE2 3.9Å
226Q88.7Confident91.7Very high92 Ų9240.3 Ų40.343%0.4319%0.193SC..G310 helixtrans-87.9-5.8-179.9-58-171.430.700114F195 K223 A224 W261F195-Q226 HydrophobicContact CE2-CB 3.59Å; F195-Q226 HydrophobicContact CE2-CG 4.23Å; F195-Q226 HydrophobicContact CZ-CB 3.57Å; K223-Q226 HydrophobicContact CB-CG 4.39Å; K223-Q226 WeakPolarHBondContact O-CB 2.98Å; K223-Q226 PolarHBondContact O-N 2.86Å; K223-Q226 VanDerWaalsContact O-N 3.15Å; A224-Q226 PolarHBondContact O-N 3.33Å; Q226-W261 HydrophobicContact CG-CH2 4.23Å; Q226-W261 HydrophobicContact CG-CZ2 4.36Å
227I90.4Very high91.6Very high18 Ų1845.1 Ų45.19%0.09222%0.219CC..SBendtrans-125.9160.2-179.360.3171.2000111.2V194 F195 A224 Q231 L232 A235V194-I227 HydrophobicContact CB-CD1 3.78Å; V194-I227 HydrophobicContact CB-CG1 4.47Å; V194-I227 HydrophobicContact CG1-CD1 3.8Å; V194-I227 HydrophobicContact CG1-CG1 4.46Å; V194-I227 HydrophobicContact CG2-CD1 4.2Å; V194-I227 HydrophobicContact CG2-CG1 4.38Å; V194-I227 HydrophobicContact CG2-CG2 4.2Å; F195-I227 HydrophobicContact CE1-CG2 3.66Å; F195-I227 HydrophobicContact CZ-CG2 3.64Å; A224-I227 WeakPolarHBondContact O-CG1 3.18Å; I227-Q231 HydrophobicContact CB-CB 3.99Å; I227-Q231 HydrophobicContact CD1-CB 4.14Å; I227-Q231 HydrophobicContact CG1-CB 4.47Å; I227-L232 VanDerWaalsContact CD1-CA 3.47Å; I227-L232 HydrophobicContact CD1-CB 3.86Å; I227-L232 HydrophobicContact CD1-CD1 3.89Å; I227-L232 HydrophobicContact CG1-CB 4.17Å; I227-L232 HydrophobicContact CG1-CD1 4.39Å; I227-A235 HydrophobicContact CD1-CB 4.22Å
228S89.8Confident91.4Very high54 Ų5447 Ų4738%0.37824%0.235SC..  trans-71.1157.9174.564.70000111.8I230 Q231 L232S228-I230 PolarHBondContact O-N 3.29Å; S228-Q231 WeakPolarHBondContact O-CB 3.1Å; S228-Q231 PolarHBondContact O-N 3.23Å; S228-Q231 WeakPolarHBondContact OG-CG 3.21Å; S228-Q231 PolarHBondContact OG-N 3.22Å; S228-Q231 PolarHBondContact OG-OE1 2.99Å; S228-L232 PolarHBondContact O-N 2.88Å
229M87.8Confident91.1Very high59 Ų5946.7 Ų46.729%0.29123%0.233SC..Hα-helixtrans-53.1-38.8176.8-77.3-70.8-93.400113.7L232 H233 M270 M273M229-L232 WeakPolarHBondContact O-CB 3.43Å; M229-L232 PolarHBondContact O-N 3.1Å; M229-L232 HydrophobicContact SD-CD2 4.31Å; M229-H233 PolarHBondContact O-CD2 3.01Å; M229-H233 PolarHBondContact O-N 2.96Å; M229-M270 HydrophobicContact CG-CG 3.76Å; M229-M270 HydrophobicContact CG-SD 4.13Å; M229-M270 HydrophobicContact SD-CG 3.55Å; M229-M270 VanDerWaalsContact SD-CG 3.55Å; M229-M270 HydrophobicContact SD-SD 4.13Å; M229-M273 HydrophobicContact CE-CE 4.18Å; M229-M273 HydrophobicContact CE-SD 3.89Å; M229-M273 HydrophobicContact SD-CE 3.79Å; M229-M273 HydrophobicContact SD-SD 4.29Å
230I89.5Confident90.9Very high119 Ų11949 Ų4961%0.6125%0.248SC*.Hα-helixtrans-67.4-43178.1-65.3164.8000110.9S228 L232 R234S228-I230 PolarHBondContact O-N 3.29Å; I230-L232 VanDerWaalsContact C-N 3.26Å; I230-L232 PolarHBondContact O-N 2.68Å; I230-R234 WeakPolarHBondContact O-CG 3.48Å; I230-R234 PolarHBondContact O-N 3.22Å
231Q91.4Very high90.5Very high100 Ų10057.4 Ų57.447%0.46728%0.279SS..Hα-helixtrans-64.6-35.2175.3-72.9167.4-46.900111.2I227 S228 R234 A235I227-Q231 HydrophobicContact CB-CB 3.99Å; I227-Q231 HydrophobicContact CD1-CB 4.14Å; I227-Q231 HydrophobicContact CG1-CB 4.47Å; S228-Q231 WeakPolarHBondContact O-CB 3.1Å; S228-Q231 PolarHBondContact O-N 3.23Å; S228-Q231 WeakPolarHBondContact OG-CG 3.21Å; S228-Q231 PolarHBondContact OG-N 3.22Å; S228-Q231 PolarHBondContact OG-OE1 2.99Å; Q231-R234 PolarHBondContact O-N 3.41Å; Q231-A235 WeakPolarHBondContact O-CB 3.18Å; Q231-A235 PolarHBondContact O-N 2.86Å
232L92Very high90Very high3 Ų358.7 Ų58.72%0.01629%0.289CS..Hα-helixtrans-66.3-43.8179.2-17760.3000112.5V194 L221 A224 I227 S228 M229 I230 R234 A235 Q236 V257 M273 F274V194-L232 HydrophobicContact CG1-CD1 4.09Å; L221-L232 HydrophobicContact CD2-CD1 4.07Å; A224-L232 HydrophobicContact CB-CD1 3.68Å; A224-L232 HydrophobicContact CB-CD2 4.21Å; I227-L232 VanDerWaalsContact CD1-CA 3.47Å; I227-L232 HydrophobicContact CD1-CB 3.86Å; I227-L232 HydrophobicContact CD1-CD1 3.89Å; I227-L232 HydrophobicContact CG1-CB 4.17Å; I227-L232 HydrophobicContact CG1-CD1 4.39Å; S228-L232 PolarHBondContact O-N 2.88Å; M229-L232 WeakPolarHBondContact O-CB 3.43Å; M229-L232 PolarHBondContact O-N 3.1Å; M229-L232 HydrophobicContact SD-CD2 4.31Å; I230-L232 VanDerWaalsContact C-N 3.26Å; I230-L232 PolarHBondContact O-N 2.68Å; L232-R234 VanDerWaalsContact C-N 3.34Å; L232-R234 PolarHBondContact O-N 2.89Å; L232-A235 WeakPolarHBondContact O-CB 3.31Å; L232-A235 PolarHBondContact O-N 2.85Å; L232-Q236 WeakPolarHBondContact O-CB 3.48Å; L232-Q236 PolarHBondContact O-N 2.79Å; L232-V257 HydrophobicContact CD1-CG1 3.63Å; L232-V257 HydrophobicContact CD2-CG1 3.8Å; L232-V257 HydrophobicContact CG-CG1 4.05Å; L232-M273 HydrophobicContact CD2-CE 3.48Å; L232-M273 VanDerWaalsContact CD2-CE 3.48Å; L232-F274 HydrophobicContact CD2-CE1 3.88Å; L232-F274 HydrophobicContact CD2-CZ 4.23Å
233H90Very high89.5Confident99 Ų9958.6 Ų58.646%0.45829%0.288SS..Hα-helixtrans-59.1-45.7172.5-79.1-65.6000111.6M229 A235 Q236 D237M229-H233 PolarHBondContact O-CD2 3.01Å; M229-H233 PolarHBondContact O-N 2.96Å; H233-A235 VanDerWaalsContact C-N 3.3Å; H233-A235 PolarHBondContact O-N 3.37Å; H233-Q236 PolarHBondContact O-N 2.82Å; H233-D237 VanDerWaalsContact O-CG 3.29Å; H233-D237 PolarHBondContact O-N 3.12Å
234R91.5Very high89.1Confident177 Ų17759.2 Ų59.267%0.66830%0.302SS*.Hα-helixtrans-60.7-39.4175.2-69.1178.9179.6-178.90.1112.4I230 Q231 L232 D237 A238I230-R234 WeakPolarHBondContact O-CG 3.48Å; I230-R234 PolarHBondContact O-N 3.22Å; Q231-R234 PolarHBondContact O-N 3.41Å; L232-R234 VanDerWaalsContact C-N 3.34Å; L232-R234 PolarHBondContact O-N 2.89Å; R234-D237 PolarHBondContact O-N 3.1Å; R234-A238 VanDerWaalsContact O-CB 3.3Å; R234-A238 WeakPolarHBondContact O-CB 3.42Å; R234-A238 PolarHBondContact O-N 3.03Å
235A91Very high88.6Confident6 Ų668 Ų685%0.0534%0.335CS..Hα-helixtrans-65.3-43.4178.400000111.8L197 L221 I227 Q231 L232 H233 A238 L239L197-A235 VanDerWaalsContact CD1-CA 3.42Å; L197-A235 HydrophobicContact CD1-CB 3.51Å; L197-A235 HydrophobicContact CD2-CB 4.4Å; L221-A235 HydrophobicContact CD2-CB 4.32Å; I227-A235 HydrophobicContact CD1-CB 4.22Å; Q231-A235 WeakPolarHBondContact O-CB 3.18Å; Q231-A235 PolarHBondContact O-N 2.86Å; L232-A235 WeakPolarHBondContact O-CB 3.31Å; L232-A235 PolarHBondContact O-N 2.85Å; H233-A235 VanDerWaalsContact C-N 3.3Å; H233-A235 PolarHBondContact O-N 3.37Å; A235-A238 PolarHBondContact O-N 2.77Å; A235-L239 WeakPolarHBondContact O-CB 3.45Å; A235-L239 PolarHBondContact O-N 2.91Å
236Q90.5Very high88Confident37 Ų3767.7 Ų67.717%0.17334%0.336CS..Hα-helixtrans-62.3-44.9175.6-175.6176.95.500111.6L221 L232 H233 L239 T240L221-Q236 HydrophobicContact CD2-CB 4.43Å; L232-Q236 WeakPolarHBondContact O-CB 3.48Å; L232-Q236 PolarHBondContact O-N 2.79Å; H233-Q236 PolarHBondContact O-N 2.82Å; Q236-L239 PolarHBondContact O-N 3.48Å; Q236-T240 WeakPolarHBondContact O-CB 3.45Å; Q236-T240 PolarHBondContact O-N 3.14Å; Q236-T240 PolarHBondContact O-OG1 2.98Å
237D89Confident87.6Confident107 Ų10763.9 Ų63.957%0.57232%0.318SS*.Hα-helixtrans-63.6-45.2177.5-68.5-21.2000111.4H233 R234 L239 T240 W241H233-D237 VanDerWaalsContact O-CG 3.29Å; H233-D237 PolarHBondContact O-N 3.12Å; R234-D237 PolarHBondContact O-N 3.1Å; D237-L239 PolarHBondContact O-N 3.48Å; D237-T240 PolarHBondContact O-N 3.02Å; D237-W241 VanDerWaalsContact O-CB 3.3Å; D237-W241 WeakPolarHBondContact O-CB 3.21Å; D237-W241 PolarHBondContact O-N 3.16Å
238A88.9Confident86.8Confident47 Ų4771.8 Ų71.839%0.38835%0.352SS..Hα-helixtrans-61.4-44.3177.900000111.9L197 R234 A235 W241 S242L197-A238 HydrophobicContact CD1-CB 4.26Å; R234-A238 VanDerWaalsContact O-CB 3.3Å; R234-A238 WeakPolarHBondContact O-CB 3.42Å; R234-A238 PolarHBondContact O-N 3.03Å; A235-A238 PolarHBondContact O-N 2.77Å; A238-W241 PolarHBondContact O-N 3.1Å; A238-S242 WeakPolarHBondContact O-CB 3.35Å; A238-S242 PolarHBondContact O-N 3.38Å
239L89.4Confident86Confident0 Ų070.7 Ų70.70%034%0.343CS..Hα-helixtrans-62.8-47.6175.9-179.362.1000111.1F192 L197 I219 L221 A235 Q236 D237 W241 S242 L243 V255F192-L239 HydrophobicContact CB-CD1 4.4Å; F192-L239 HydrophobicContact CB-CD2 4.2Å; F192-L239 HydrophobicContact CD1-CD1 3.74Å; F192-L239 HydrophobicContact CD2-CD1 3.96Å; F192-L239 HydrophobicContact CD2-CD2 4.04Å; F192-L239 HydrophobicContact CE1-CD1 3.91Å; F192-L239 HydrophobicContact CE2-CD1 4.11Å; F192-L239 HydrophobicContact CG-CD1 3.76Å; F192-L239 HydrophobicContact CG-CD2 4.15Å; F192-L239 HydrophobicContact CZ-CD1 4.1Å; L197-L239 HydrophobicContact CD2-CB 4.38Å; I219-L239 HydrophobicContact CG2-CD2 4.09Å; L221-L239 HydrophobicContact CB-CD2 4.45Å; L221-L239 HydrophobicContact CD1-CD2 4.26Å; A235-L239 WeakPolarHBondContact O-CB 3.45Å; A235-L239 PolarHBondContact O-N 2.91Å; Q236-L239 PolarHBondContact O-N 3.48Å; D237-L239 PolarHBondContact O-N 3.48Å; L239-W241 VanDerWaalsContact C-N 3.3Å; L239-W241 PolarHBondContact O-N 2.76Å; L239-S242 PolarHBondContact O-N 3.03Å; L239-L243 HydrophobicContact CD1-CD1 3.95Å; L239-L243 HydrophobicContact CD1-CD2 4.48Å; L239-L243 HydrophobicContact CD1-CG 3.92Å; L239-L243 HydrophobicContact CD2-CD1 4.46Å; L239-L243 HydrophobicContact CG-CD1 3.87Å; L239-L243 HydrophobicContact CG-CG 4.23Å; L239-L243 WeakPolarHBondContact O-CB 3.36Å; L239-L243 WeakPolarHBondContact O-CG 3.47Å; L239-L243 PolarHBondContact O-N 3.09Å; L239-V255 HydrophobicContact CD2-CG1 4.09Å
240T87.9Confident85.3Confident49 Ų4979.1 Ų79.130%0.30137%0.372SS..Hα-helixtrans-59.8-43179.9-55.80000110.9Q236 D237 G244 L252Q236-T240 WeakPolarHBondContact O-CB 3.45Å; Q236-T240 PolarHBondContact O-N 3.14Å; Q236-T240 PolarHBondContact O-OG1 2.98Å; D237-T240 PolarHBondContact O-N 3.02Å; T240-G244 PolarHBondContact O-N 3.11Å; T240-L252 HydrophobicContact CG2-CD1 3.93Å
241W86.6Confident84.8Confident175 Ų17579.5 Ų79.566%0.66338%0.375SS*.Hα-helixtrans-63.4-43175.9-176.7-101.6000112.7D237 A238 L239 G244 R245D237-W241 VanDerWaalsContact O-CB 3.3Å; D237-W241 WeakPolarHBondContact O-CB 3.21Å; D237-W241 PolarHBondContact O-N 3.16Å; A238-W241 PolarHBondContact O-N 3.1Å; L239-W241 VanDerWaalsContact C-N 3.3Å; L239-W241 PolarHBondContact O-N 2.76Å; W241-G244 PolarHBondContact O-N 2.99Å; W241-R245 WeakPolarHBondContact O-CG 3.43Å; W241-R245 PolarHBondContact O-N 3.12Å
242S84.2Confident84.3Confident28 Ų2877.5 Ų77.520%0.19637%0.368CS..Hα-helixtrans-68.1-43.5179.8-160.90000112I199 A238 L239 R245 S246I199-S242 WeakPolarHBondContact CD1-OG 3.49Å; I199-S242 WeakPolarHBondContact CG1-OG 3.38Å; A238-S242 WeakPolarHBondContact O-CB 3.35Å; A238-S242 PolarHBondContact O-N 3.38Å; L239-S242 PolarHBondContact O-N 3.03Å; S242-R245 PolarHBondContact O-N 2.64Å; S242-S246 PolarHBondContact O-OG 3.32Å
243L85Confident83.8Confident1 Ų178.7 Ų78.71%0.00538%0.376CS..Hα-helixtrans-66.5-39.3175.7-70.5-179.2000111.4F192 I199 V207 I219 L239 R245 S246 F247 L252F192-L243 HydrophobicContact CE2-CD1 4.4Å; F192-L243 HydrophobicContact CE2-CD2 4.29Å; F192-L243 HydrophobicContact CZ-CD2 3.84Å; I199-L243 HydrophobicContact CD1-CD2 3.88Å; V207-L243 HydrophobicContact CG2-CD2 4.48Å; I219-L243 HydrophobicContact CD1-CD1 4.38Å; I219-L243 HydrophobicContact CG1-CD1 4.28Å; I219-L243 HydrophobicContact CG2-CD1 3.88Å; L239-L243 HydrophobicContact CD1-CD1 3.95Å; L239-L243 HydrophobicContact CD1-CD2 4.48Å; L239-L243 HydrophobicContact CD1-CG 3.92Å; L239-L243 HydrophobicContact CD2-CD1 4.46Å; L239-L243 HydrophobicContact CG-CD1 3.87Å; L239-L243 HydrophobicContact CG-CG 4.23Å; L239-L243 WeakPolarHBondContact O-CB 3.36Å; L239-L243 WeakPolarHBondContact O-CG 3.47Å; L239-L243 PolarHBondContact O-N 3.09Å; L243-R245 PolarHBondContact O-N 3.09Å; L243-S246 PolarHBondContact O-N 3.28Å; L243-F247 HydrophobicContact CB-CD2 3.97Å; L243-F247 HydrophobicContact CB-CE2 4.34Å; L243-F247 HydrophobicContact CD2-CD2 4.06Å; L243-F247 HydrophobicContact CD2-CE2 3.67Å; L243-F247 HydrophobicContact CG-CE2 4.39Å; L243-F247 PolarHBondContact O-N 3.12Å; L243-L252 HydrophobicContact CB-CD2 3.34Å; L243-L252 HydrophobicContact CD1-CD2 4.33Å; L243-L252 HydrophobicContact CG-CD2 4.49Å
244G83.7Confident83.7Confident41 Ų4178 Ų7842%0.42337%0.371SS..Hα-helixtrans-65.5-19.217900000115.1T240 W241T240-G244 PolarHBondContact O-N 3.11Å; W241-G244 PolarHBondContact O-N 2.99Å
245R81.7Confident83.8Confident184 Ų18470 Ų7069%0.69434%0.342SS*.Hα-helixtrans-81.3-20.9170.9-69.9174.5173.9-169.1-5.7113.2W241 S242 L243W241-R245 WeakPolarHBondContact O-CG 3.43Å; W241-R245 PolarHBondContact O-N 3.12Å; S242-R245 PolarHBondContact O-N 2.64Å; L243-R245 PolarHBondContact O-N 3.09Å
246S79.6Confident83.9Confident25 Ų2569.8 Ų69.818%0.17534%0.34CS..Hα-helixtrans-108.5-40-169.3-52.40000112.1V207 S242 L243V207-S246 VanDerWaalsContact CG1-CB 3.41Å; S242-S246 PolarHBondContact O-OG 3.32Å; L243-S246 PolarHBondContact O-N 3.28Å
247F80.1Confident84.1Confident12 Ų1268.1 Ų68.15%0.05333%0.332CS..  trans-74.5147.5169.8-78.7-80000110.8V207 V210 E214 L243 C249 L252V207-F247 HydrophobicContact CG1-CD2 4.01Å; V207-F247 HydrophobicContact CG1-CE2 3.91Å; V207-F247 HydrophobicContact CG1-CG 4.41Å; V207-F247 HydrophobicContact CG1-CZ 4.21Å; V210-F247 HydrophobicContact CG1-CE1 4.18Å; V210-F247 HydrophobicContact CG1-CZ 4.21Å; E214-F247 HydrophobicContact CB-CD1 3.62Å; E214-F247 HydrophobicContact CB-CE1 3.69Å; L243-F247 HydrophobicContact CB-CD2 3.97Å; L243-F247 HydrophobicContact CB-CE2 4.34Å; L243-F247 HydrophobicContact CD2-CD2 4.06Å; L243-F247 HydrophobicContact CD2-CE2 3.67Å; L243-F247 HydrophobicContact CG-CE2 4.39Å; L243-F247 PolarHBondContact O-N 3.12Å; F247-C249 VanDerWaalsContact CB-SG 3.56Å; F247-L252 HydrophobicContact CD2-CD2 4.26Å
248K73.9Confident84.2Confident185 Ų18563.1 Ų63.180%0.80431%0.306SS*.  trans-96.83179.5-65.8-179.5-178.3175.40112.6
249C73.2Confident84.3Confident30 Ų3061.4 Ų61.420%0.20329%0.291CS..  trans-64152.3174.939.70000112.8E214 F247 D251E214-C249 WeakPolarHBondContact OE1-CA 3.43Å; E214-C249 WeakPolarHBondContact OE1-CB 3.14Å; E214-C249 WeakPolarHBondContact OE2-CB 3.36Å; E214-C249 PolarHBondContact OE2-N 2.78Å; E214-C249 PolarHBondContact OE2-SG 3.13Å; F247-C249 VanDerWaalsContact CB-SG 3.56Å; C249-D251 WeakPolarHBondContact CB-O 3.42Å
250R72.9Confident84.3Confident236 Ų23661.8 Ų61.889%0.89129%0.293SS*.SBendtrans-69.6-42.1163.1-176.9-178.4178.4-179.6-1111.4
251D77.8Confident84.2Confident127 Ų12761.8 Ų61.868%0.67929%0.287SS*.SBendtrans-123.5119-176.5-59.1-53.8000109.4C249C249-D251 WeakPolarHBondContact CB-O 3.42Å
252L81.1Confident83.8Confident59 Ų5958.3 Ų58.331%0.30928%0.282SS..PPolyproline II helixtrans-66146.4178.3-86.2129.5000111.8T240 L243 F247T240-L252 HydrophobicContact CG2-CD1 3.93Å; L243-L252 HydrophobicContact CB-CD2 3.34Å; L243-L252 HydrophobicContact CD1-CD2 4.33Å; L243-L252 HydrophobicContact CG-CD2 4.49Å; F247-L252 HydrophobicContact CD2-CD2 4.26Å
253P81.9Confident83.8Confident28 Ų2862.8 Ų62.818%0.18230%0.3CS..PPolyproline II helixtrans-55.8144.4168.9-22.332.4000111.3C217 I219 V255C217-P253 HydrophobicContact CB-CG 4.37Å; I219-P253 HydrophobicContact CG1-CB 4.1Å; P253-V255 PolarHBondContact O-N 3.44Å
254F88.5Confident83.5Confident84 Ų8468 Ų6837%0.36833%0.333SS..PPolyproline II helixtrans-59.8131177.6-177.9-99.8000111.1H256 Y277 K280F254-H256 AromaticContact CD1-CE1 3.81Å; F254-H256 AromaticContact CD1-NE2 3.81Å; F254-H256 PolarHBondContact O-CD2 2.89Å; F254-Y277 AromaticContact CE1-CD1 3.53Å; F254-Y277 HydrophobicContact CE1-CD1 3.53Å; F254-Y277 AromaticContact CE1-CE1 3.44Å; F254-Y277 HydrophobicContact CE1-CE1 3.44Å; F254-Y277 VanDerWaalsContact CE1-CE1 3.44Å; F254-Y277 HydrophobicContact CE2-CE1 4.23Å; F254-Y277 AromaticContact CZ-CD1 3.76Å; F254-Y277 HydrophobicContact CZ-CD1 3.76Å; F254-Y277 AromaticContact CZ-CE1 3.21Å; F254-Y277 HydrophobicContact CZ-CE1 3.21Å; F254-K280 HydrophobicContact CD1-CD 4.06Å; F254-K280 HydrophobicContact CE1-CD 3.65Å; F254-K280 HydrophobicContact CZ-CD 4.14Å
255V92.7Very high83.5Confident9 Ų967.3 Ų67.36%0.05532%0.32CS..EExtended strand (participates in β ladder)trans-86.5117.3178.4-178.60000109.6I219 L221 L239 P253 V257 Y277I219-V255 HydrophobicContact CB-CG2 4.37Å; I219-V255 HydrophobicContact CG2-CG1 4.27Å; I219-V255 HydrophobicContact CG2-CG2 4.05Å; L221-V255 HydrophobicContact CB-CG1 3.87Å; L239-V255 HydrophobicContact CD2-CG1 4.09Å; P253-V255 PolarHBondContact O-N 3.44Å; V255-V257 HydrophobicContact CG1-CG2 4.35Å; V255-Y277 VanDerWaalsContact O-CE1 3.31Å; V255-Y277 WeakPolarHBondContact O-CE1 3.31Å
256H94Very high83.3Confident1 Ų168.2 Ų68.21%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-84.3126.6175.1-61.7-96000110.3I219 V220 L221 F254 Y277 L281 Q284I219-H256 PolarHBondContact O-CD2 3.45Å; I219-H256 PolarHBondContact O-N 2.86Å; V220-H256 CarbonylContact C-O 3.58Å; V220-H256 WeakPolarHBondContact CA-O 3.41Å; V220-H256 HydrophobicContact CG2-CB 4.31Å; L221-H256 PolarHBondContact N-O 3.09Å; F254-H256 AromaticContact CD1-CE1 3.81Å; F254-H256 AromaticContact CD1-NE2 3.81Å; F254-H256 PolarHBondContact O-CD2 2.89Å; H256-Y277 PolarHBondContact ND1-O 3.19Å; H256-L281 WeakPolarHBondContact ND1-CB 3.45Å; H256-Q284 PolarHBondContact CE1-OE1 3Å; H256-Q284 PolarHBondContact NE2-OE1 3.16Å
257V93.7Very high83.4Confident2 Ų270 Ų701%0.01234%0.337CS..EExtended strand (participates in β ladder)trans-113.5128.9-173.8-176.40000110.5L221 A224 L232 V255 F274 Y277L221-V257 HydrophobicContact CB-CG2 4.38Å; L221-V257 HydrophobicContact CD2-CG2 4.47Å; A224-V257 HydrophobicContact CB-CG1 3.61Å; L232-V257 HydrophobicContact CD1-CG1 3.63Å; L232-V257 HydrophobicContact CD2-CG1 3.8Å; L232-V257 HydrophobicContact CG-CG1 4.05Å; V255-V257 HydrophobicContact CG1-CG2 4.35Å; V257-F274 HydrophobicContact CG1-CD1 4.31Å; V257-F274 HydrophobicContact CG1-CE1 3.89Å; V257-Y277 HydrophobicContact CB-CD1 4.44Å; V257-Y277 HydrophobicContact CB-CD2 4.07Å; V257-Y277 HydrophobicContact CB-CE1 4.45Å; V257-Y277 HydrophobicContact CB-CE2 4.14Å; V257-Y277 HydrophobicContact CB-CG 4.24Å; V257-Y277 HydrophobicContact CG2-CE1 4.24Å; V257-Y277 HydrophobicContact CG2-CE2 4.46Å; V257-Y277 WeakPolarHBondContact O-CB 3.43Å
258G91.8Very high83.4Confident2 Ų274.4 Ų74.42%0.02136%0.361CS..  trans179-170.5176.900000114L221 N222 K223 A224L221-G258 PolarHBondContact O-N 2.93Å; L221-G258 VanDerWaalsContact O-N 3.09Å; N222-G258 CarbonylContact C-O 3.56Å; N222-G258 VanDerWaalsContact CA-O 3.27Å; N222-G258 WeakPolarHBondContact CA-O 3.44Å; K223-G258 PolarHBondContact N-O 3.14Å; K223-G258 VanDerWaalsContact N-O 3.12Å; A224-G258 WeakPolarHBondContact CB-O 3.38Å; A224-G258 PolarHBondContact N-O 3.31Å
259S91.2Very high83.7Confident12 Ų1268.4 Ų68.48%0.08435%0.346CS..  trans-132.4106.9171.5-63.90000108.6K223 A224 D225 W261K223-S259 VanDerWaalsContact C-OG 3.27Å; K223-S259 WeakPolarHBondContact CA-OG 3.46Å; A224-S259 PolarHBondContact N-OG 3.46Å; D225-S259 WeakPolarHBondContact CB-OG 3.41Å; D225-S259 PolarHBondContact N-OG 3.1Å; D225-S259 VanDerWaalsContact OD1-CB 3.27Å; D225-S259 WeakPolarHBondContact OD1-CB 3.48Å; D225-S259 PolarHBondContact OD1-OG 2.94Å; S259-W261 PolarHBondContact O-N 3.45Å
260F89.6Confident84.3Confident7 Ų767.6 Ų67.63%0.03134%0.339CS..  trans-94.372-170.4-59.3-89.2000110.2M77 Y80 V220 N222 E278 L281M77-F260 HydrophobicContact CB-CB 3.93Å; M77-F260 HydrophobicContact CE-CD1 3.97Å; M77-F260 HydrophobicContact CE-CD2 4.22Å; M77-F260 HydrophobicContact CE-CE1 4.08Å; M77-F260 HydrophobicContact CE-CE2 4.36Å; M77-F260 HydrophobicContact CE-CG 4.03Å; M77-F260 HydrophobicContact CE-CZ 4.28Å; M77-F260 HydrophobicContact CG-CB 3.67Å; M77-F260 HydrophobicContact CG-CD1 4.43Å; M77-F260 HydrophobicContact CG-CG 3.96Å; M77-F260 HydrophobicContact SD-CB 4.28Å; M77-F260 HydrophobicContact SD-CD2 4.02Å; M77-F260 HydrophobicContact SD-CG 4.02Å; Y80-F260 HydrophobicContact CD1-CB 3.96Å; Y80-F260 HydrophobicContact CD1-CD1 4.23Å; Y80-F260 HydrophobicContact CE1-CB 4.46Å; Y80-F260 HydrophobicContact CE1-CD1 4.12Å; Y80-F260 HydrophobicContact CG-CB 4.41Å; V220-F260 HydrophobicContact CG1-CD2 3.93Å; V220-F260 HydrophobicContact CG1-CE2 3.33Å; V220-F260 HydrophobicContact CG1-CZ 4.07Å; N222-F260 PolarHBondContact OD1-N 2.78Å; F260-E278 HydrophobicContact CE1-CB 4.36Å; F260-E278 HydrophobicContact CE1-CG 4.19Å; F260-L281 HydrophobicContact CE1-CD2 3.82Å; F260-L281 HydrophobicContact CZ-CD2 3.85Å
261W84.5Confident85Confident49 Ų4960.8 Ų60.819%0.18631%0.313CS..SBendtrans-154.4169.4-178.658.218.1000111.4T76 D225 Q226 S259 Q263T76-W261 HydrophobicContact CG2-CB 4Å; D225-W261 VanDerWaalsContact OD1-CZ2 3.27Å; D225-W261 WeakPolarHBondContact OD1-CZ2 3.34Å; D225-W261 WeakPolarHBondContact OD2-CZ2 3.32Å; D225-W261 PolarHBondContact OD2-NE1 3.5Å; Q226-W261 HydrophobicContact CG-CH2 4.23Å; Q226-W261 HydrophobicContact CG-CZ2 4.36Å; S259-W261 PolarHBondContact O-N 3.45Å; W261-Q263 HydrophobicContact CG-CB 4.36Å; W261-Q263 PolarHBondContact O-N 3.22Å
262D80.2Confident85.3Confident103 Ų10360.5 Ų60.555%0.55131%0.312SS*.SBendtrans-80.81.6-174.2-49.3-42.4000113.8
263Q82.3Confident85.7Confident121 Ų12159.7 Ų59.757%0.56531%0.307SS*.SBendtrans-79.3139.8-177.6-61.3-170.75.600111.8W261 I265W261-Q263 HydrophobicContact CG-CB 4.36Å; W261-Q263 PolarHBondContact O-N 3.22Å; Q263-I265 PolarHBondContact O-N 2.95Å
264P80.5Confident86.1Confident110 Ų11058.6 Ų58.671%0.71430%0.3SS*.PPolyproline II helixtrans-69.2123.8-179.827.8-33.9000111.3K266P264-K266 PolarHBondContact O-N 3.43Å
265I83.3Confident86.1Confident27 Ų2757.5 Ų57.514%0.13830%0.3CS..PPolyproline II helixtrans-64.9120.5171.2-61.4151.8000108.5D225 Q263 M270 R271 F274D225-I265 HydrophobicContact CB-CG1 4.31Å; D225-I265 HydrophobicContact CB-CG2 4.31Å; Q263-I265 PolarHBondContact O-N 2.95Å; I265-M270 HydrophobicContact CG2-CB 4.36Å; I265-R271 HydrophobicContact CB-CB 4.33Å; I265-R271 HydrophobicContact CB-CG 4.4Å; I265-R271 HydrophobicContact CD1-CB 4.46Å; I265-R271 HydrophobicContact CD1-CG 4.05Å; I265-R271 HydrophobicContact CG2-CB 4.04Å; I265-R271 PolarHBondContact O-NH2 3.34Å; I265-F274 HydrophobicContact CD1-CB 4.42Å; I265-F274 HydrophobicContact CD1-CD2 3.73Å; I265-F274 HydrophobicContact CG1-CD2 4.15Å; I265-F274 HydrophobicContact CG2-CD2 4.18Å; I265-F274 HydrophobicContact CG2-CE2 4.14Å
266K76.5Confident85.8Confident203 Ų20361 Ų6188%0.88332%0.324SS*.SBendtrans-71.7-40-174.5-65.5178.7-178174.20113.3P264P264-K266 PolarHBondContact O-N 3.43Å
267D81.8Confident85.7Confident64 Ų6462.9 Ų62.934%0.34233%0.332SS..  trans-86.3120-177.4-174.5-20.3000111.5A269 M270 R271D267-A269 VanDerWaalsContact C-N 3.33Å; D267-A269 PolarHBondContact O-N 3.4Å; D267-A269 WeakPolarHBondContact OD1-CB 3.37Å; D267-A269 PolarHBondContact OD1-N 3.12Å; D267-M270 HydrophobicContact CB-CB 4.02Å; D267-M270 HydrophobicContact CB-CE 3.38Å; D267-M270 HydrophobicContact CB-CG 3.95Å; D267-M270 PolarHBondContact O-N 2.82Å; D267-R271 WeakPolarHBondContact O-CB 3.31Å; D267-R271 PolarHBondContact O-N 3.03Å
268N80.3Confident85.6Confident104 Ų10464.9 Ų64.956%0.55634%0.341SS*.Hα-helixtrans-63.7-34.4179.5-71.3-30.2000113.3R271 N272N268-R271 PolarHBondContact OD1-NH1 3.14Å; N268-R271 PolarHBondContact OD1-NH2 3.32Å; N268-N272 PolarHBondContact O-N 2.93Å
269A81.3Confident85.4Confident59 Ų5967.5 Ų67.549%0.48836%0.362SS..Hα-helixtrans-69.5-46.1178.900000110.6D267 R271 N272 M273D267-A269 VanDerWaalsContact C-N 3.33Å; D267-A269 PolarHBondContact O-N 3.4Å; D267-A269 WeakPolarHBondContact OD1-CB 3.37Å; D267-A269 PolarHBondContact OD1-N 3.12Å; A269-R271 VanDerWaalsContact C-N 3.31Å; A269-R271 PolarHBondContact O-N 3Å; A269-N272 PolarHBondContact O-N 2.8Å; A269-M273 PolarHBondContact O-N 3.04Å
270M85.4Confident85.4Confident13 Ų1370.7 Ų70.76%0.06438%0.375CS..Hα-helixtrans-61.1-40.6174.3-66.7-158.2-78.300111.8M229 I265 D267 N272 M273 F274M229-M270 HydrophobicContact CG-CG 3.76Å; M229-M270 HydrophobicContact CG-SD 4.13Å; M229-M270 HydrophobicContact SD-CG 3.55Å; M229-M270 VanDerWaalsContact SD-CG 3.55Å; M229-M270 HydrophobicContact SD-SD 4.13Å; I265-M270 HydrophobicContact CG2-CB 4.36Å; D267-M270 HydrophobicContact CB-CB 4.02Å; D267-M270 HydrophobicContact CB-CE 3.38Å; D267-M270 HydrophobicContact CB-CG 3.95Å; D267-M270 PolarHBondContact O-N 2.82Å; M270-N272 PolarHBondContact O-N 3.26Å; M270-M273 WeakPolarHBondContact O-CB 3.15Å; M270-M273 PolarHBondContact O-N 3.24Å; M270-M273 VanDerWaalsContact O-N 3.14Å; M270-F274 HydrophobicContact CB-CD2 4.36Å; M270-F274 HydrophobicContact CB-CE1 4.47Å; M270-F274 HydrophobicContact CB-CE2 3.78Å; M270-F274 HydrophobicContact CB-CZ 3.84Å; M270-F274 HydrophobicContact CG-CZ 4.36Å; M270-F274 VanDerWaalsContact O-CG 3.23Å; M270-F274 WeakPolarHBondContact O-CG 3.11Å; M270-F274 PolarHBondContact O-N 3.39Å; M270-F274 HydrophobicContact SD-CZ 4.06Å
271R86.2Confident85.4Confident92 Ų9270.4 Ų70.435%0.34737%0.374SS..Hα-helixtrans-56.5-47.9179.1-168.3-174.3-58.8130.22.5112.4I265 D267 N268 A269 M273 F274 V275I265-R271 HydrophobicContact CB-CB 4.33Å; I265-R271 HydrophobicContact CB-CG 4.4Å; I265-R271 HydrophobicContact CD1-CB 4.46Å; I265-R271 HydrophobicContact CD1-CG 4.05Å; I265-R271 HydrophobicContact CG2-CB 4.04Å; I265-R271 PolarHBondContact O-NH2 3.34Å; D267-R271 WeakPolarHBondContact O-CB 3.31Å; D267-R271 PolarHBondContact O-N 3.03Å; N268-R271 PolarHBondContact OD1-NH1 3.14Å; N268-R271 PolarHBondContact OD1-NH2 3.32Å; A269-R271 VanDerWaalsContact C-N 3.31Å; A269-R271 PolarHBondContact O-N 3Å; R271-M273 VanDerWaalsContact C-N 3.28Å; R271-M273 PolarHBondContact O-N 3.01Å; R271-F274 PolarHBondContact O-N 2.83Å; R271-V275 WeakPolarHBondContact O-CB 3.42Å; R271-V275 VanDerWaalsContact O-CG2 3.24Å; R271-V275 WeakPolarHBondContact O-CG2 3.47Å; R271-V275 PolarHBondContact O-N 2.85Å
272N85.8Confident85.6Confident121 Ų12170 Ų7065%0.64738%0.375SS*.Hα-helixtrans-62.2-38.8179.5-72-28.7000111.9N268 A269 M270 S276N268-N272 PolarHBondContact O-N 2.93Å; A269-N272 PolarHBondContact O-N 2.8Å; M270-N272 PolarHBondContact O-N 3.26Å; N272-S276 PolarHBondContact O-N 3.39Å
273M88.4Confident86Confident43 Ų4368.4 Ų68.421%0.21236%0.364CS..Hα-helixtrans-65.3-50.1176.4-176-179.273.800111.4M229 L232 A269 M270 R271 V275 S276 Y277M229-M273 HydrophobicContact CE-CE 4.18Å; M229-M273 HydrophobicContact CE-SD 3.89Å; M229-M273 HydrophobicContact SD-CE 3.79Å; M229-M273 HydrophobicContact SD-SD 4.29Å; L232-M273 HydrophobicContact CD2-CE 3.48Å; L232-M273 VanDerWaalsContact CD2-CE 3.48Å; A269-M273 PolarHBondContact O-N 3.04Å; M270-M273 WeakPolarHBondContact O-CB 3.15Å; M270-M273 PolarHBondContact O-N 3.24Å; M270-M273 VanDerWaalsContact O-N 3.14Å; R271-M273 VanDerWaalsContact C-N 3.28Å; R271-M273 PolarHBondContact O-N 3.01Å; M273-V275 VanDerWaalsContact C-N 3.33Å; M273-V275 PolarHBondContact O-N 3.06Å; M273-S276 WeakPolarHBondContact O-CB 3.31Å; M273-S276 PolarHBondContact O-N 3.01Å; M273-Y277 HydrophobicContact CG-CD2 3.73Å; M273-Y277 HydrophobicContact CG-CE2 3.53Å; M273-Y277 VanDerWaalsContact O-CD2 3.31Å; M273-Y277 WeakPolarHBondContact O-CD2 3.46Å; M273-Y277 PolarHBondContact O-N 3.15Å; M273-Y277 HydrophobicContact SD-CE2 4.03Å
274F91Very high86.4Confident5 Ų565 Ų652%0.02235%0.348CS..Hα-helixtrans-60.6-42179.9-61.2-20.8000111.9A224 D225 L232 V257 I265 M270 R271 S276 Y277 E278A224-F274 HydrophobicContact CB-CE1 3.61Å; A224-F274 HydrophobicContact CB-CE2 4.32Å; A224-F274 HydrophobicContact CB-CZ 3.48Å; A224-F274 VanDerWaalsContact CB-CZ 3.48Å; D225-F274 HydrophobicContact CB-CE2 3.9Å; L232-F274 HydrophobicContact CD2-CE1 3.88Å; L232-F274 HydrophobicContact CD2-CZ 4.23Å; V257-F274 HydrophobicContact CG1-CD1 4.31Å; V257-F274 HydrophobicContact CG1-CE1 3.89Å; I265-F274 HydrophobicContact CD1-CB 4.42Å; I265-F274 HydrophobicContact CD1-CD2 3.73Å; I265-F274 HydrophobicContact CG1-CD2 4.15Å; I265-F274 HydrophobicContact CG2-CD2 4.18Å; I265-F274 HydrophobicContact CG2-CE2 4.14Å; M270-F274 HydrophobicContact CB-CD2 4.36Å; M270-F274 HydrophobicContact CB-CE1 4.47Å; M270-F274 HydrophobicContact CB-CE2 3.78Å; M270-F274 HydrophobicContact CB-CZ 3.84Å; M270-F274 HydrophobicContact CG-CZ 4.36Å; M270-F274 VanDerWaalsContact O-CG 3.23Å; M270-F274 WeakPolarHBondContact O-CG 3.11Å; M270-F274 PolarHBondContact O-N 3.39Å; M270-F274 HydrophobicContact SD-CZ 4.06Å; R271-F274 PolarHBondContact O-N 2.83Å; F274-S276 PolarHBondContact O-N 3.03Å; F274-Y277 PolarHBondContact O-N 3.31Å; F274-Y277 VanDerWaalsContact O-N 3.14Å; F274-E278 VanDerWaalsContact O-CB 3.27Å; F274-E278 WeakPolarHBondContact O-CB 3.42Å; F274-E278 PolarHBondContact O-N 3.01Å
275V87.3Confident86.8Confident61 Ų6159.9 Ų59.937%0.3732%0.315SS..Hα-helixtrans-58.2-38174.4169.60000111.6R271 M273 A279R271-V275 WeakPolarHBondContact O-CB 3.42Å; R271-V275 VanDerWaalsContact O-CG2 3.24Å; R271-V275 WeakPolarHBondContact O-CG2 3.47Å; R271-V275 PolarHBondContact O-N 2.85Å; M273-V275 VanDerWaalsContact C-N 3.33Å; M273-V275 PolarHBondContact O-N 3.06Å; V275-A279 WeakPolarHBondContact O-CB 3.27Å; V275-A279 PolarHBondContact O-N 2.97Å
276S88Confident86.9Confident82 Ų8259.4 Ų59.457%0.57331%0.312SS*.Hα-helixtrans-69.1-41176.6-169.80000112.5N272 M273 F274 K280N272-S276 PolarHBondContact O-N 3.39Å; M273-S276 WeakPolarHBondContact O-CB 3.31Å; M273-S276 PolarHBondContact O-N 3.01Å; F274-S276 PolarHBondContact O-N 3.03Å; S276-K280 PolarHBondContact O-N 3.17Å
277Y91.8Very high87.4Confident41 Ų4152.1 Ų52.116%0.16128%0.279CS..Hα-helixtrans-67.5-40.7176.9-84.9-76.4000112.4F254 V255 H256 V257 M273 F274 K280 L281F254-Y277 AromaticContact CE1-CD1 3.53Å; F254-Y277 HydrophobicContact CE1-CD1 3.53Å; F254-Y277 AromaticContact CE1-CE1 3.44Å; F254-Y277 HydrophobicContact CE1-CE1 3.44Å; F254-Y277 VanDerWaalsContact CE1-CE1 3.44Å; F254-Y277 HydrophobicContact CE2-CE1 4.23Å; F254-Y277 AromaticContact CZ-CD1 3.76Å; F254-Y277 HydrophobicContact CZ-CD1 3.76Å; F254-Y277 AromaticContact CZ-CE1 3.21Å; F254-Y277 HydrophobicContact CZ-CE1 3.21Å; V255-Y277 VanDerWaalsContact O-CE1 3.31Å; V255-Y277 WeakPolarHBondContact O-CE1 3.31Å; H256-Y277 PolarHBondContact ND1-O 3.19Å; V257-Y277 HydrophobicContact CB-CD1 4.44Å; V257-Y277 HydrophobicContact CB-CD2 4.07Å; V257-Y277 HydrophobicContact CB-CE1 4.45Å; V257-Y277 HydrophobicContact CB-CE2 4.14Å; V257-Y277 HydrophobicContact CB-CG 4.24Å; V257-Y277 HydrophobicContact CG2-CE1 4.24Å; V257-Y277 HydrophobicContact CG2-CE2 4.46Å; V257-Y277 WeakPolarHBondContact O-CB 3.43Å; M273-Y277 HydrophobicContact CG-CD2 3.73Å; M273-Y277 HydrophobicContact CG-CE2 3.53Å; M273-Y277 VanDerWaalsContact O-CD2 3.31Å; M273-Y277 WeakPolarHBondContact O-CD2 3.46Å; M273-Y277 PolarHBondContact O-N 3.15Å; M273-Y277 HydrophobicContact SD-CE2 4.03Å; F274-Y277 PolarHBondContact O-N 3.31Å; F274-Y277 VanDerWaalsContact O-N 3.14Å; Y277-K280 PolarHBondContact O-N 3.01Å; Y277-L281 PolarHBondContact O-N 2.74Å
278E89.7Confident87.7Confident44 Ų4449.1 Ų49.121%0.20626%0.263CS..Hα-helixtrans-62.8-46.7175.4-179.6179.5-170.800111Y80 F260 F274 K280 L281 L282Y80-E278 VanDerWaalsContact CE1-OE1 3.27Å; Y80-E278 WeakPolarHBondContact CE1-OE1 3.31Å; Y80-E278 PolarHBondContact OH-OE1 3.06Å; F260-E278 HydrophobicContact CE1-CB 4.36Å; F260-E278 HydrophobicContact CE1-CG 4.19Å; F274-E278 VanDerWaalsContact O-CB 3.27Å; F274-E278 WeakPolarHBondContact O-CB 3.42Å; F274-E278 PolarHBondContact O-N 3.01Å; E278-K280 VanDerWaalsContact C-N 3.28Å; E278-K280 PolarHBondContact O-N 3.22Å; E278-L281 WeakPolarHBondContact O-CB 3.44Å; E278-L281 PolarHBondContact O-N 3.31Å; E278-L281 VanDerWaalsContact O-N 3.13Å; E278-L282 HydrophobicContact CG-CD1 3.96Å; E278-L282 HydrophobicContact CG-CG 4.42Å; E278-L282 WeakPolarHBondContact O-CB 3.41Å; E278-L282 WeakPolarHBondContact O-CG 3.23Å; E278-L282 PolarHBondContact O-N 3.13Å
279A87.8Confident87.8Confident57 Ų5746.6 Ų46.647%0.47125%0.25SC..Hα-helixtrans-56.9-43.1176.300000111.9V275 E283V275-A279 WeakPolarHBondContact O-CB 3.27Å; V275-A279 PolarHBondContact O-N 2.97Å; A279-E283 WeakPolarHBondContact O-CB 3.4Å; A279-E283 PolarHBondContact O-N 3.41Å
280K90.9Very high87.8Confident78 Ų7846.2 Ų46.234%0.33924%0.241SC..Hα-helixtrans-67.7-38.6176.8-171.9178.4175.2-174.40112.6F254 S276 Y277 E278 E283 Q284F254-K280 HydrophobicContact CD1-CD 4.06Å; F254-K280 HydrophobicContact CE1-CD 3.65Å; F254-K280 HydrophobicContact CZ-CD 4.14Å; S276-K280 PolarHBondContact O-N 3.17Å; Y277-K280 PolarHBondContact O-N 3.01Å; E278-K280 VanDerWaalsContact C-N 3.28Å; E278-K280 PolarHBondContact O-N 3.22Å; K280-E283 WeakPolarHBondContact O-CB 3.24Å; K280-E283 PolarHBondContact O-N 3.16Å; K280-Q284 PolarHBondContact O-N 3.13Å
281L91.3Very high87.9Confident2 Ų247.3 Ų47.31%0.0125%0.247CC..Hα-helixtrans-62.5-49.6175.7179.164.3000110.7M77 L218 V220 H256 F260 Y277 E278 E283 Q284 I285M77-L281 HydrophobicContact CE-CD2 3.5Å; M77-L281 VanDerWaalsContact CE-CD2 3.5Å; L218-L281 HydrophobicContact CB-CD1 4.07Å; L218-L281 HydrophobicContact CD1-CD1 4.02Å; V220-L281 HydrophobicContact CG2-CD1 4.24Å; V220-L281 HydrophobicContact CG2-CD2 4.09Å; H256-L281 WeakPolarHBondContact ND1-CB 3.45Å; F260-L281 HydrophobicContact CE1-CD2 3.82Å; F260-L281 HydrophobicContact CZ-CD2 3.85Å; Y277-L281 PolarHBondContact O-N 2.74Å; E278-L281 WeakPolarHBondContact O-CB 3.44Å; E278-L281 PolarHBondContact O-N 3.31Å; E278-L281 VanDerWaalsContact O-N 3.13Å; L281-E283 VanDerWaalsContact C-N 3.27Å; L281-E283 PolarHBondContact O-N 3.37Å; L281-Q284 PolarHBondContact O-N 2.94Å; L281-Q284 VanDerWaalsContact O-N 3.16Å; L281-I285 HydrophobicContact CD1-CD1 4.3Å; L281-I285 HydrophobicContact CG-CD1 3.98Å; L281-I285 WeakPolarHBondContact O-CG1 3.35Å; L281-I285 PolarHBondContact O-N 3.5Å
282L88.1Confident87.9Confident40 Ų4043.1 Ų43.121%0.20923%0.232CC..Hα-helixtrans-61.2-37.6177.1-68.2171.6000111E278 Q284 I285 N286 P420E278-L282 HydrophobicContact CG-CD1 3.96Å; E278-L282 HydrophobicContact CG-CG 4.42Å; E278-L282 WeakPolarHBondContact O-CB 3.41Å; E278-L282 WeakPolarHBondContact O-CG 3.23Å; E278-L282 PolarHBondContact O-N 3.13Å; L282-Q284 VanDerWaalsContact C-N 3.33Å; L282-Q284 PolarHBondContact O-N 2.98Å; L282-I285 PolarHBondContact O-N 3.19Å; L282-N286 WeakPolarHBondContact O-CB 3.5Å; L282-N286 PolarHBondContact O-N 2.78Å; L282-N286 PolarHBondContact O-ND2 2.88Å; L282-P420 HydrophobicContact CD1-CG 4.1Å; L282-P420 HydrophobicContact CD2-CG 4.45Å
283E88.1Confident87.9Confident69 Ų6940 Ų4032%0.32221%0.214SC..Hα-helixtrans-55-47.8173-167.5-175.5176.600112.7A279 K280 L281 N286 R287 L417A279-E283 WeakPolarHBondContact O-CB 3.4Å; A279-E283 PolarHBondContact O-N 3.41Å; K280-E283 WeakPolarHBondContact O-CB 3.24Å; K280-E283 PolarHBondContact O-N 3.16Å; L281-E283 VanDerWaalsContact C-N 3.27Å; L281-E283 PolarHBondContact O-N 3.37Å; E283-N286 PolarHBondContact O-N 2.92Å; E283-R287 WeakPolarHBondContact O-CG 3.43Å; E283-R287 PolarHBondContact O-N 3.39Å; E283-R287 VanDerWaalsContact O-N 3.13Å; E283-R287 IonicContact OE1-CZ 2.89Å; E283-R287 IonicContact OE1-NE 3.69Å; E283-R287 IonicContact OE1-NH2 3.25Å; E283-R287 PolarHBondContact OE1-NH2 3.05Å; E283-L417 VanDerWaalsContact CA-CD1 3.48Å; E283-L417 HydrophobicContact CB-CD1 4.15Å; E283-L417 HydrophobicContact CG-CD1 4.25Å
284Q90.2Very high87.8Confident51 Ų5139.5 Ų39.524%0.23821%0.213CC..Hα-helixtrans-70.5-34.9179.7-68.4173.9-5500113.2L218 H256 K280 L281 L282L218-Q284 HydrophobicContact CD1-CB 4.47Å; L218-Q284 HydrophobicContact CD2-CB 4.01Å; H256-Q284 PolarHBondContact CE1-OE1 3Å; H256-Q284 PolarHBondContact NE2-OE1 3.16Å; K280-Q284 PolarHBondContact O-N 3.13Å; L281-Q284 PolarHBondContact O-N 2.94Å; L281-Q284 VanDerWaalsContact O-N 3.16Å; L282-Q284 VanDerWaalsContact C-N 3.33Å; L282-Q284 PolarHBondContact O-N 2.98Å
285I90.2Very high87.6Confident2 Ų241.2 Ų41.21%0.0122%0.219CC..Hα-helixtrans-63.4-45.6174.7-72.1172000110L64 M81 M152 L218 L281 L282 R287 M288L64-I285 HydrophobicContact CD1-CG1 4.42Å; L64-I285 HydrophobicContact CD2-CD1 4.19Å; L64-I285 HydrophobicContact CD2-CG1 4.4Å; L64-I285 HydrophobicContact CD2-CG2 4.34Å; M81-I285 HydrophobicContact CE-CD1 3.91Å; M152-I285 HydrophobicContact CE-CG2 3.8Å; M152-I285 HydrophobicContact SD-CG2 4.49Å; L218-I285 HydrophobicContact CD1-CG1 3.95Å; L281-I285 HydrophobicContact CD1-CD1 4.3Å; L281-I285 HydrophobicContact CG-CD1 3.98Å; L281-I285 WeakPolarHBondContact O-CG1 3.35Å; L281-I285 PolarHBondContact O-N 3.5Å; L282-I285 PolarHBondContact O-N 3.19Å; I285-R287 PolarHBondContact O-N 3.11Å; I285-M288 HydrophobicContact CB-CE 4.28Å; I285-M288 HydrophobicContact CG2-CE 3.73Å; I285-M288 WeakPolarHBondContact O-CB 3.4Å; I285-M288 WeakPolarHBondContact O-CE 3.34Å; I285-M288 WeakPolarHBondContact O-CG 3.31Å; I285-M288 PolarHBondContact O-N 2.72Å; I285-M288 VanDerWaalsContact O-N 3.14Å
286N85.4Confident87.6Confident16 Ų1638.7 Ų38.79%0.08620%0.203CC..Hα-helixtrans-73.7-27.7-175.9-74.6-68.3000113.6L282 E283 M288 N289 L417L282-N286 WeakPolarHBondContact O-CB 3.5Å; L282-N286 PolarHBondContact O-N 2.78Å; L282-N286 PolarHBondContact O-ND2 2.88Å; E283-N286 PolarHBondContact O-N 2.92Å; N286-M288 PolarHBondContact O-N 3.47Å; N286-M288 VanDerWaalsContact O-N 3.16Å; N286-N289 PolarHBondContact O-N 2.74Å; N286-L417 HydrophobicContact CB-CD1 3.83Å; N286-L417 HydrophobicContact CB-CD2 3.22Å; N286-L417 HydrophobicContact CB-CG 3.27Å; N286-L417 WeakPolarHBondContact ND2-CD2 3.46Å
287R86.4Confident87.6Confident51 Ų5135.3 Ų35.319%0.19218%0.178CC..THydrogen-bonded Turntrans-60.9-17.6169.7-75.5175.9-178.6179.1-1.5113.4E283 I285 N289 T290 D291 Y412E283-R287 WeakPolarHBondContact O-CG 3.43Å; E283-R287 PolarHBondContact O-N 3.39Å; E283-R287 VanDerWaalsContact O-N 3.13Å; E283-R287 IonicContact OE1-CZ 2.89Å; E283-R287 IonicContact OE1-NE 3.69Å; E283-R287 IonicContact OE1-NH2 3.25Å; E283-R287 PolarHBondContact OE1-NH2 3.05Å; I285-R287 PolarHBondContact O-N 3.11Å; R287-N289 PolarHBondContact O-N 2.99Å; R287-T290 PolarHBondContact O-N 3.39Å; R287-T290 PolarHBondContact O-OG1 3.01Å; R287-D291 WeakPolarHBondContact O-CB 3.3Å; R287-D291 PolarHBondContact O-N 3.47Å; R287-Y412 VanDerWaalsContact NH1-CE1 3.25Å
288M89.1Confident87.4Confident1 Ų137.2 Ų37.21%0.00519%0.191CC..Hα-helixtrans-58.7-32.2174.7-65.2-171.3-64.200112.7P62 L64 D186 R187 I285 N286 T290 D291 V292P62-M288 HydrophobicContact CB-CB 3.8Å; P62-M288 HydrophobicContact CG-CB 3.9Å; L64-M288 HydrophobicContact CB-CE 4.14Å; L64-M288 HydrophobicContact CD1-CE 3.91Å; L64-M288 HydrophobicContact CD1-SD 4.02Å; L64-M288 HydrophobicContact CG-CE 4.42Å; D186-M288 HydrophobicContact CB-CG 4.43Å; D186-M288 HydrophobicContact CB-SD 3.98Å; R187-M288 HydrophobicContact CB-CG 4.32Å; R187-M288 HydrophobicContact CB-SD 3.48Å; R187-M288 WeakPolarHBondContact CB-SD 3.21Å; R187-M288 HydrophobicContact CG-CG 3.47Å; R187-M288 VanDerWaalsContact CG-CG 3.47Å; R187-M288 HydrophobicContact CG-SD 3.31Å; R187-M288 WeakPolarHBondContact CG-SD 3.43Å; I285-M288 HydrophobicContact CB-CE 4.28Å; I285-M288 HydrophobicContact CG2-CE 3.73Å; I285-M288 WeakPolarHBondContact O-CB 3.4Å; I285-M288 WeakPolarHBondContact O-CE 3.34Å; I285-M288 WeakPolarHBondContact O-CG 3.31Å; I285-M288 PolarHBondContact O-N 2.72Å; I285-M288 VanDerWaalsContact O-N 3.14Å; N286-M288 PolarHBondContact O-N 3.47Å; N286-M288 VanDerWaalsContact O-N 3.16Å; M288-T290 PolarHBondContact O-N 3.23Å; M288-D291 PolarHBondContact O-N 3.1Å; M288-V292 VanDerWaalsContact O-CB 3.24Å; M288-V292 WeakPolarHBondContact O-CB 3.17Å; M288-V292 WeakPolarHBondContact O-CG1 3.39Å; M288-V292 PolarHBondContact O-N 3.3Å
289N82.4Confident87.3Confident51 Ų5137.1 Ų37.127%0.27319%0.19SC..Hα-helixtrans-65.3-28.6-177.7-65.1-16.3000112.6P62 N151 N286 R287 V292P62-N289 VanDerWaalsContact CG-OD1 3.22Å; P62-N289 WeakPolarHBondContact CG-OD1 3.31Å; N151-N289 PolarHBondContact O-OD1 2.91Å; N286-N289 PolarHBondContact O-N 2.74Å; R287-N289 PolarHBondContact O-N 2.99Å; N289-V292 WeakPolarHBondContact O-CG1 3.49Å
290T80.8Confident87.4Confident50 Ų5034.4 Ų34.431%0.30717%0.168SC..Hα-helixtrans-89.1-42.7174.351.80000111R287 M288 V292R287-T290 PolarHBondContact O-N 3.39Å; R287-T290 PolarHBondContact O-OG1 3.01Å; M288-T290 PolarHBondContact O-N 3.23Å; T290-V292 VanDerWaalsContact C-N 3.29Å; T290-V292 PolarHBondContact O-N 3.49Å
291D86.2Confident87.4Confident36 Ų3632 Ų3219%0.19316%0.158CC..Hα-helixtrans-67.4-28.3-175.7-69.1-4.2000112.7R187 R287 M288 H293 V294 R295R187-D291 IonicContact CZ-OD2 2.69Å; R187-D291 IonicContact NH2-OD2 3.71Å; R187-D291 PolarHBondContact NH2-OD2 3.41Å; R287-D291 WeakPolarHBondContact O-CB 3.3Å; R287-D291 PolarHBondContact O-N 3.47Å; M288-D291 PolarHBondContact O-N 3.1Å; D291-H293 VanDerWaalsContact C-N 3.3Å; D291-H293 PolarHBondContact O-N 3.34Å; D291-V294 PolarHBondContact O-N 2.89Å; D291-V294 VanDerWaalsContact O-N 3.14Å; D291-R295 WeakPolarHBondContact O-CB 3.48Å; D291-R295 PolarHBondContact O-N 2.89Å
292V88Confident87.3Confident4 Ų436.9 Ų36.92%0.02418%0.181CC..Hα-helixtrans-57.3-41.1-176.465.50000112.4P62 D186 M288 N289 T290 R295 R296P62-V292 HydrophobicContact CB-CB 4.13Å; P62-V292 HydrophobicContact CB-CG2 4.17Å; D186-V292 WeakPolarHBondContact OD1-CG2 3.44Å; M288-V292 VanDerWaalsContact O-CB 3.24Å; M288-V292 WeakPolarHBondContact O-CB 3.17Å; M288-V292 WeakPolarHBondContact O-CG1 3.39Å; M288-V292 PolarHBondContact O-N 3.3Å; N289-V292 WeakPolarHBondContact O-CG1 3.49Å; T290-V292 VanDerWaalsContact C-N 3.29Å; T290-V292 PolarHBondContact O-N 3.49Å; V292-R295 PolarHBondContact O-N 3.3Å; V292-R296 HydrophobicContact CG2-CG 4.46Å; V292-R296 VanDerWaalsContact CG2-NH2 3.34Å; V292-R296 WeakPolarHBondContact O-CB 3.12Å; V292-R296 WeakPolarHBondContact O-CG 3.43Å; V292-R296 PolarHBondContact O-N 2.9Å
293H85.2Confident87.5Confident57 Ų5736.4 Ų36.426%0.26418%0.177SC..Hα-helixtrans-67.1-41.4179.7-61.3-55.1000111.2I24 D291 F297I24-H293 HydrophobicContact CG2-CB 4.21Å; D291-H293 VanDerWaalsContact C-N 3.3Å; D291-H293 PolarHBondContact O-N 3.34Å; H293-F297 VanDerWaalsContact O-CB 3.23Å; H293-F297 WeakPolarHBondContact O-CB 3.21Å; H293-F297 PolarHBondContact O-N 2.91Å
294V85.8Confident87.7Confident32 Ų3233.1 Ų33.119%0.19416%0.161CC..Hα-helixtrans-66.2-43.1176-177.60000110.6D291 F297 N298 L403 L407D291-V294 PolarHBondContact O-N 2.89Å; D291-V294 VanDerWaalsContact O-N 3.14Å; V294-F297 PolarHBondContact O-N 3.02Å; V294-N298 WeakPolarHBondContact O-CB 3.27Å; V294-N298 VanDerWaalsContact O-CG 3.28Å; V294-N298 PolarHBondContact O-N 2.85Å; V294-N298 PolarHBondContact O-ND2 3.47Å; V294-L403 HydrophobicContact CG2-CD2 4.24Å; V294-L407 HydrophobicContact CG2-CD1 3.74Å
295R87.1Confident87.8Confident41 Ų4132.8 Ų32.816%0.15516%0.159CC..Hα-helixtrans-61-50.7178.4-175.2-173.169102.2-23.2111.1K184 D186 D291 V292 F297 N298 E299K184-R295 PolarHBondContact O-NH2 3.16Å; D186-R295 IonicContact OD1-CZ 3.88Å; D186-R295 VanDerWaalsContact OD1-CZ 3.3Å; D186-R295 IonicContact OD1-NE 3.95Å; D186-R295 PolarHBondContact OD1-NE 3.42Å; D186-R295 IonicContact OD1-NH2 3.59Å; D186-R295 PolarHBondContact OD1-NH2 3.22Å; D186-R295 VanDerWaalsContact OD1-NH2 3.1Å; D186-R295 IonicContact OD2-CZ 3.95Å; D186-R295 IonicContact OD2-NE 3.05Å; D186-R295 IonicContact OD2-NH2 2.73Å; D186-R295 PolarHBondContact OD2-NH2 3.2Å; D291-R295 WeakPolarHBondContact O-CB 3.48Å; D291-R295 PolarHBondContact O-N 2.89Å; V292-R295 PolarHBondContact O-N 3.3Å; R295-F297 VanDerWaalsContact C-N 3.32Å; R295-F297 PolarHBondContact O-N 2.86Å; R295-N298 CarbonylContact O-C 3.21Å; R295-N298 WeakPolarHBondContact O-CB 3.41Å; R295-N298 PolarHBondContact O-N 2.94Å; R295-E299 IonicContact NH1-OE2 2.83Å; R295-E299 PolarHBondContact NH1-OE2 3.14Å; R295-E299 PolarHBondContact O-N 3.3Å
296R88Confident87.8Confident7 Ų734.1 Ų34.13%0.02617%0.168CC..Hα-helixtrans-64.1-39179.2-71.2176.6-176158.15.7111.7E57 F58 S60 P61 V292 N298 E299 V300E57-R296 PolarHBondContact O-NE 2.77Å; E57-R296 PolarHBondContact O-NH1 2.87Å; E57-R296 VanDerWaalsContact O-NH1 3.09Å; E57-R296 PolarHBondContact O-NH2 2.82Å; F58-R296 PolarHBondContact O-NH1 2.92Å; S60-R296 PolarHBondContact O-NH1 2.57Å; S60-R296 PolarHBondContact O-NH2 2.92Å; S60-R296 PolarHBondContact OG-NH2 2.94Å; P61-R296 PolarHBondContact O-NH2 3.04Å; V292-R296 HydrophobicContact CG2-CG 4.46Å; V292-R296 VanDerWaalsContact CG2-NH2 3.34Å; V292-R296 WeakPolarHBondContact O-CB 3.12Å; V292-R296 WeakPolarHBondContact O-CG 3.43Å; V292-R296 PolarHBondContact O-N 2.9Å; R296-N298 PolarHBondContact O-N 3.21Å; R296-E299 WeakPolarHBondContact O-CB 3.14Å; R296-E299 PolarHBondContact O-N 3.18Å; R296-V300 WeakPolarHBondContact O-CG2 3.35Å; R296-V300 PolarHBondContact O-N 3.09Å
297F87Confident88.2Confident12 Ų1233.4 Ų33.45%0.05316%0.163CC..Hα-helixtrans-58.7-46.9171.9175.3-106.1000111.7I24 H293 V294 R295 E299 V300 I301 L396 L399 A400 L403I24-F297 HydrophobicContact CD1-CD2 4.49Å; H293-F297 VanDerWaalsContact O-CB 3.23Å; H293-F297 WeakPolarHBondContact O-CB 3.21Å; H293-F297 PolarHBondContact O-N 2.91Å; V294-F297 PolarHBondContact O-N 3.02Å; R295-F297 VanDerWaalsContact C-N 3.32Å; R295-F297 PolarHBondContact O-N 2.86Å; F297-E299 VanDerWaalsContact C-N 3.3Å; F297-E299 PolarHBondContact O-N 2.91Å; F297-V300 PolarHBondContact O-N 2.8Å; F297-I301 HydrophobicContact CD1-CD1 3.76Å; F297-I301 HydrophobicContact CE1-CD1 3.28Å; F297-I301 HydrophobicContact CE1-CG1 4.35Å; F297-I301 HydrophobicContact CE2-CD1 4.26Å; F297-I301 HydrophobicContact CG-CD1 4.46Å; F297-I301 HydrophobicContact CZ-CD1 3.58Å; F297-I301 HydrophobicContact CZ-CG1 4.3Å; F297-I301 WeakPolarHBondContact O-CG1 3.18Å; F297-I301 PolarHBondContact O-N 3.22Å; F297-L396 HydrophobicContact CE2-CD2 4.05Å; F297-L396 HydrophobicContact CZ-CD2 4.18Å; F297-L399 HydrophobicContact CD2-CB 4.39Å; F297-L399 HydrophobicContact CE2-CB 3.59Å; F297-L399 HydrophobicContact CE2-CD1 4.12Å; F297-L399 HydrophobicContact CZ-CB 4.33Å; F297-A400 HydrophobicContact CE1-CB 4.41Å; F297-A400 HydrophobicContact CZ-CB 4.1Å; F297-L403 HydrophobicContact CB-CD2 4.23Å; F297-L403 HydrophobicContact CD1-CD1 3.88Å; F297-L403 HydrophobicContact CD1-CD2 4.49Å; F297-L403 HydrophobicContact CE1-CD1 4.02Å; F297-L403 HydrophobicContact CG-CD1 4.45Å; F297-L403 HydrophobicContact CG-CD2 4.33Å
298N87.1Confident88.6Confident80 Ų8032 Ų3243%0.42816%0.159SC..Hα-helixtrans-62.8-36.1175-73.2-27.5000112.3V294 R295 R296 I301 Q302V294-N298 WeakPolarHBondContact O-CB 3.27Å; V294-N298 VanDerWaalsContact O-CG 3.28Å; V294-N298 PolarHBondContact O-N 2.85Å; V294-N298 PolarHBondContact O-ND2 3.47Å; R295-N298 CarbonylContact O-C 3.21Å; R295-N298 WeakPolarHBondContact O-CB 3.41Å; R295-N298 PolarHBondContact O-N 2.94Å; R296-N298 PolarHBondContact O-N 3.21Å; N298-I301 WeakPolarHBondContact O-CB 3.31Å; N298-I301 PolarHBondContact O-N 2.98Å; N298-Q302 WeakPolarHBondContact O-CG 3.37Å; N298-Q302 PolarHBondContact O-N 3.49Å
299E87.4Confident88.7Confident42 Ų4232 Ų3220%0.19616%0.16CC..Hα-helixtrans-62.2-47.6174.8-171.1172.2166.100111.2M53 R295 R296 F297 I301 Q302 R303M53-E299 HydrophobicContact CE-CG 4.36Å; M53-E299 HydrophobicContact SD-CB 4.47Å; M53-E299 HydrophobicContact SD-CG 3.97Å; R295-E299 IonicContact NH1-OE2 2.83Å; R295-E299 PolarHBondContact NH1-OE2 3.14Å; R295-E299 PolarHBondContact O-N 3.3Å; R296-E299 WeakPolarHBondContact O-CB 3.14Å; R296-E299 PolarHBondContact O-N 3.18Å; F297-E299 VanDerWaalsContact C-N 3.3Å; F297-E299 PolarHBondContact O-N 2.91Å; E299-I301 VanDerWaalsContact C-N 3.27Å; E299-I301 PolarHBondContact O-N 3.26Å; E299-Q302 PolarHBondContact O-N 3.19Å; E299-Q302 VanDerWaalsContact O-N 3.14Å; E299-R303 HydrophobicContact CG-CG 4.49Å; E299-R303 WeakPolarHBondContact O-CB 3.32Å; E299-R303 VanDerWaalsContact O-CG 3.29Å; E299-R303 WeakPolarHBondContact O-CG 3.35Å; E299-R303 PolarHBondContact O-N 2.95Å
300V90.7Very high89.2Confident0 Ų029.8 Ų29.80%015%0.148CC..Hα-helixtrans-57-41.7173.8174.60000111.3Y32 M53 F58 R296 F297 R303 A304 F391Y32-V300 HydrophobicContact CD2-CG1 4.32Å; Y32-V300 HydrophobicContact CD2-CG2 4.42Å; M53-V300 HydrophobicContact SD-CG2 4.08Å; F58-V300 HydrophobicContact CE1-CG2 3.66Å; F58-V300 HydrophobicContact CZ-CG2 4.24Å; R296-V300 WeakPolarHBondContact O-CG2 3.35Å; R296-V300 PolarHBondContact O-N 3.09Å; F297-V300 PolarHBondContact O-N 2.8Å; V300-R303 PolarHBondContact O-N 2.87Å; V300-A304 VanDerWaalsContact O-CB 3.29Å; V300-A304 WeakPolarHBondContact O-CB 3.48Å; V300-A304 PolarHBondContact O-N 2.8Å; V300-F391 HydrophobicContact CG1-CE1 4.1Å; V300-F391 HydrophobicContact CG1-CZ 3.74Å
301I90.4Very high89.7Confident27 Ų2727.6 Ų27.614%0.13813%0.134CC..Hα-helixtrans-61.2-49.4175.9-68.9169000111F297 N298 E299 R303 A304 K305 L396F297-I301 HydrophobicContact CD1-CD1 3.76Å; F297-I301 HydrophobicContact CE1-CD1 3.28Å; F297-I301 HydrophobicContact CE1-CG1 4.35Å; F297-I301 HydrophobicContact CE2-CD1 4.26Å; F297-I301 HydrophobicContact CG-CD1 4.46Å; F297-I301 HydrophobicContact CZ-CD1 3.58Å; F297-I301 HydrophobicContact CZ-CG1 4.3Å; F297-I301 WeakPolarHBondContact O-CG1 3.18Å; F297-I301 PolarHBondContact O-N 3.22Å; N298-I301 WeakPolarHBondContact O-CB 3.31Å; N298-I301 PolarHBondContact O-N 2.98Å; E299-I301 VanDerWaalsContact C-N 3.27Å; E299-I301 PolarHBondContact O-N 3.26Å; I301-R303 VanDerWaalsContact C-N 3.32Å; I301-R303 PolarHBondContact O-N 3.24Å; I301-A304 PolarHBondContact O-N 3.29Å; I301-K305 HydrophobicContact CG2-CD 4.06Å; I301-K305 HydrophobicContact CG2-CG 4.43Å; I301-K305 WeakPolarHBondContact O-CG 3.46Å; I301-K305 PolarHBondContact O-N 3.16Å; I301-L396 HydrophobicContact CD1-CD1 4.45Å; I301-L396 HydrophobicContact CD1-CD2 4.22Å; I301-L396 HydrophobicContact CG1-CD1 3.91Å; I301-L396 HydrophobicContact CG1-CD2 3.57Å; I301-L396 HydrophobicContact CG1-CG 4.4Å; I301-L396 HydrophobicContact CG2-CD1 4.42Å
302Q89Confident90Very high105 Ų10526.2 Ų26.249%0.49113%0.127SC..Hα-helixtrans-63.3-40.8-178.2-71.8-61.4-19.400111.6N298 E299 K305 T306N298-Q302 WeakPolarHBondContact O-CG 3.37Å; N298-Q302 PolarHBondContact O-N 3.49Å; E299-Q302 PolarHBondContact O-N 3.19Å; E299-Q302 VanDerWaalsContact O-N 3.14Å; Q302-K305 PolarHBondContact O-N 2.94Å; Q302-T306 VanDerWaalsContact O-CB 3.31Å; Q302-T306 WeakPolarHBondContact O-CB 3.27Å; Q302-T306 PolarHBondContact O-N 3.24Å; Q302-T306 PolarHBondContact O-OG1 3.41Å
303R92.3Very high90.1Very high30 Ų3026.1 Ų26.111%0.11313%0.126CC..Hα-helixtrans-62-47.2174-73.2-168.987.1118.49.9111.9Y32 V36 E40 P51 P52 E299 V300 I301 K305 T306 A307Y32-R303 HydrophobicContact CE2-CB 4.42Å; Y32-R303 PolarHBondContact OH-NE 2.83Å; V36-R303 HydrophobicContact CG1-CB 4.41Å; E40-R303 VanDerWaalsContact OE1-CB 3.29Å; E40-R303 WeakPolarHBondContact OE1-CB 3.42Å; E40-R303 IonicContact OE1-CZ 3.35Å; E40-R303 IonicContact OE1-NE 2.77Å; E40-R303 PolarHBondContact OE1-NE 3.25Å; E40-R303 IonicContact OE1-NH2 2.64Å; E40-R303 IonicContact OE2-CZ 3.69Å; E40-R303 IonicContact OE2-NE 3.72Å; E40-R303 PolarHBondContact OE2-NE 3.45Å; E40-R303 IonicContact OE2-NH2 3.21Å; E40-R303 PolarHBondContact OE2-NH2 2.9Å; P51-R303 PolarHBondContact O-NH1 2.88Å; P51-R303 PolarHBondContact O-NH2 3.39Å; P52-R303 VanDerWaalsContact CA-NH2 3.32Å; E299-R303 HydrophobicContact CG-CG 4.49Å; E299-R303 WeakPolarHBondContact O-CB 3.32Å; E299-R303 VanDerWaalsContact O-CG 3.29Å; E299-R303 WeakPolarHBondContact O-CG 3.35Å; E299-R303 PolarHBondContact O-N 2.95Å; V300-R303 PolarHBondContact O-N 2.87Å; I301-R303 VanDerWaalsContact C-N 3.32Å; I301-R303 PolarHBondContact O-N 3.24Å; R303-K305 PolarHBondContact O-N 3.21Å; R303-T306 PolarHBondContact O-N 2.92Å; R303-A307 VanDerWaalsContact O-CB 3.31Å; R303-A307 WeakPolarHBondContact O-CB 3.49Å; R303-A307 PolarHBondContact O-N 2.83Å
304A92.8Very high90.3Very high0 Ų023.7 Ų23.70%012%0.116CC..Hα-helixtrans-59.9-44.4176.300000112.9V36 V300 I301 A307 Q308 L388 F391 I392V36-A304 HydrophobicContact CG1-CB 4.21Å; V36-A304 HydrophobicContact CG2-CB 3.78Å; V300-A304 VanDerWaalsContact O-CB 3.29Å; V300-A304 WeakPolarHBondContact O-CB 3.48Å; V300-A304 PolarHBondContact O-N 2.8Å; I301-A304 PolarHBondContact O-N 3.29Å; A304-A307 PolarHBondContact O-N 3.34Å; A304-Q308 WeakPolarHBondContact O-CB 3.37Å; A304-Q308 PolarHBondContact O-N 3.21Å; A304-L388 HydrophobicContact CB-CD1 3.89Å; A304-F391 HydrophobicContact CB-CD1 3.91Å; A304-F391 HydrophobicContact CB-CE1 3.7Å; A304-I392 HydrophobicContact CB-CD1 4.35Å; A304-I392 HydrophobicContact CB-CG1 4.19Å
305K91.9Very high90.3Very high44 Ų4429.2 Ų29.219%0.19114%0.137CC..Hα-helixtrans-64-44.9175.8-74.9178.2163-150.80112.2I301 Q302 R303 Q308 A309 D357I301-K305 HydrophobicContact CG2-CD 4.06Å; I301-K305 HydrophobicContact CG2-CG 4.43Å; I301-K305 WeakPolarHBondContact O-CG 3.46Å; I301-K305 PolarHBondContact O-N 3.16Å; Q302-K305 PolarHBondContact O-N 2.94Å; R303-K305 PolarHBondContact O-N 3.21Å; K305-Q308 WeakPolarHBondContact O-CB 3.39Å; K305-Q308 PolarHBondContact O-N 3.27Å; K305-A309 WeakPolarHBondContact O-CB 3.49Å; K305-A309 PolarHBondContact O-N 3.41Å; K305-D357 VanDerWaalsContact NZ-CG 3.3Å; K305-D357 IonicContact NZ-OD1 3.91Å; K305-D357 PolarHBondContact NZ-OD1 2.87Å; K305-D357 IonicContact NZ-OD2 2.85Å; K305-D357 PolarHBondContact NZ-OD2 2.87Å
306T91.7Very high90.3Very high31 Ų3129.3 Ų29.319%0.1914%0.138CC..Hα-helixtrans-60.8-46.6176.8-60.80000110.6Y49 Q302 R303 Q308 A309 H310Y49-T306 HydrophobicContact CD1-CG2 4.32Å; Y49-T306 HydrophobicContact CD2-CG2 4.1Å; Y49-T306 HydrophobicContact CE1-CG2 3.94Å; Y49-T306 HydrophobicContact CE2-CG2 3.72Å; Y49-T306 HydrophobicContact CG-CG2 4.38Å; Q302-T306 VanDerWaalsContact O-CB 3.31Å; Q302-T306 WeakPolarHBondContact O-CB 3.27Å; Q302-T306 PolarHBondContact O-N 3.24Å; Q302-T306 PolarHBondContact O-OG1 3.41Å; R303-T306 PolarHBondContact O-N 2.92Å; T306-Q308 VanDerWaalsContact C-N 3.34Å; T306-Q308 PolarHBondContact O-N 3.17Å; T306-A309 PolarHBondContact O-N 3.15Å; T306-H310 PolarHBondContact O-CD2 2.8Å; T306-H310 VanDerWaalsContact O-CD2 3.3Å; T306-H310 PolarHBondContact O-N 2.92Å
307A93.4Very high90.1Very high0 Ų029 Ų290%014%0.137CC..Hα-helixtrans-60.8-41.9175.800000112.3V39 E40 L45 R303 A304 H310 A311 L388V39-A307 HydrophobicContact CB-CB 4.37Å; V39-A307 HydrophobicContact CG1-CB 3.99Å; E40-A307 HydrophobicContact CG-CB 4.15Å; L45-A307 HydrophobicContact CD1-CB 4.01Å; R303-A307 VanDerWaalsContact O-CB 3.31Å; R303-A307 WeakPolarHBondContact O-CB 3.49Å; R303-A307 PolarHBondContact O-N 2.83Å; A304-A307 PolarHBondContact O-N 3.34Å; A307-H310 PolarHBondContact O-N 3.08Å; A307-A311 VanDerWaalsContact O-CB 3.27Å; A307-A311 WeakPolarHBondContact O-CB 3.35Å; A307-A311 PolarHBondContact O-N 2.97Å; A307-L388 HydrophobicContact CB-CD2 4.12Å
308Q93.4Very high89.9Confident22 Ų2231 Ų3110%0.10315%0.15CC..Hα-helixtrans-62.4-47.2175.6-176.3-168.654.700111.2A304 K305 T306 A311 L312 L388 N389 I392A304-Q308 WeakPolarHBondContact O-CB 3.37Å; A304-Q308 PolarHBondContact O-N 3.21Å; K305-Q308 WeakPolarHBondContact O-CB 3.39Å; K305-Q308 PolarHBondContact O-N 3.27Å; T306-Q308 VanDerWaalsContact C-N 3.34Å; T306-Q308 PolarHBondContact O-N 3.17Å; Q308-A311 PolarHBondContact O-N 3.31Å; Q308-L312 HydrophobicContact CG-CD1 4.17Å; Q308-L312 WeakPolarHBondContact O-CB 3.28Å; Q308-L312 VanDerWaalsContact O-CG 3.26Å; Q308-L312 WeakPolarHBondContact O-CG 3.34Å; Q308-L312 PolarHBondContact O-N 3.39Å; Q308-L388 HydrophobicContact CB-CD2 3.85Å; Q308-L388 HydrophobicContact CB-CG 4.48Å; Q308-N389 PolarHBondContact NE2-OD1 2.91Å; Q308-I392 HydrophobicContact CB-CD1 3.97Å; Q308-I392 HydrophobicContact CG-CD1 4.28Å
309A92.7Very high89.3Confident2 Ų230.7 Ų30.72%0.01717%0.165CC..Hα-helixtrans-59.9-48.5179.200000111K305 T306 L312 I313 L358K305-A309 WeakPolarHBondContact O-CB 3.49Å; K305-A309 PolarHBondContact O-N 3.41Å; T306-A309 PolarHBondContact O-N 3.15Å; A309-L312 PolarHBondContact O-N 2.87Å; A309-I313 WeakPolarHBondContact O-CB 3.32Å; A309-I313 WeakPolarHBondContact O-CD1 3.39Å; A309-I313 WeakPolarHBondContact O-CG1 3.39Å; A309-I313 PolarHBondContact O-N 3.09Å; A309-L358 HydrophobicContact CB-CD2 4.31Å
310H92.4Very high89Confident4 Ų434.3 Ų34.32%0.01918%0.177CC..Hα-helixtrans-65.7-39.8177.7-82.3-77.5000113.3L43 L45 Y49 T306 A307 L312 I313 A314 H367L43-H310 HydrophobicContact CD1-CB 3.84Å; L45-H310 HydrophobicContact CD1-CB 4.49Å; L45-H310 HydrophobicContact CD2-CB 3.8Å; Y49-H310 AromaticContact CE2-CD2 3.8Å; Y49-H310 AromaticContact CE2-NE2 3.23Å; Y49-H310 WeakPolarHBondContact CE2-NE2 3.15Å; Y49-H310 AromaticContact CZ-NE2 3.41Å; Y49-H310 PolarHBondContact OH-NE2 3.42Å; T306-H310 PolarHBondContact O-CD2 2.8Å; T306-H310 VanDerWaalsContact O-CD2 3.3Å; T306-H310 PolarHBondContact O-N 2.92Å; A307-H310 PolarHBondContact O-N 3.08Å; H310-L312 VanDerWaalsContact C-N 3.3Å; H310-L312 PolarHBondContact O-N 2.83Å; H310-I313 PolarHBondContact O-N 3.39Å; H310-A314 VanDerWaalsContact O-CB 3.25Å; H310-A314 WeakPolarHBondContact O-CB 3.31Å; H310-A314 PolarHBondContact O-N 2.89Å; H310-H367 AromaticContact ND1-ND1 3.89Å
311A92.1Very high88.3Confident3 Ų335.3 Ų35.33%0.02518%0.182CC..Hα-helixtrans-59.6-43.1175.200000111.7V39 L43 A307 Q308 K315 V380 I385V39-A311 HydrophobicContact CG1-CB 4.17Å; L43-A311 HydrophobicContact CD1-CB 3.99Å; A307-A311 VanDerWaalsContact O-CB 3.27Å; A307-A311 WeakPolarHBondContact O-CB 3.35Å; A307-A311 PolarHBondContact O-N 2.97Å; Q308-A311 PolarHBondContact O-N 3.31Å; A311-K315 PolarHBondContact O-N 2.91Å; A311-K315 VanDerWaalsContact O-N 3.11Å; A311-V380 HydrophobicContact CB-CG2 4.32Å; A311-I385 HydrophobicContact CB-CD1 4.37Å; A311-I385 HydrophobicContact CB-CG1 4.26Å
312L91.1Very high87.4Confident7 Ų740.6 Ų40.64%0.03720%0.203CC..Hα-helixtrans-67.7-44.7177.1-69.1174.2000111.4Q308 A309 H310 K315 Y316 L347 H351 L353Q308-L312 HydrophobicContact CG-CD1 4.17Å; Q308-L312 WeakPolarHBondContact O-CB 3.28Å; Q308-L312 VanDerWaalsContact O-CG 3.26Å; Q308-L312 WeakPolarHBondContact O-CG 3.34Å; Q308-L312 PolarHBondContact O-N 3.39Å; A309-L312 PolarHBondContact O-N 2.87Å; H310-L312 VanDerWaalsContact C-N 3.3Å; H310-L312 PolarHBondContact O-N 2.83Å; L312-K315 WeakPolarHBondContact O-CB 3.48Å; L312-K315 PolarHBondContact O-N 3.34Å; L312-Y316 VanDerWaalsContact O-CD2 3.25Å; L312-Y316 WeakPolarHBondContact O-CD2 3.5Å; L312-Y316 PolarHBondContact O-N 3.14Å; L312-L347 HydrophobicContact CB-CD1 4.37Å; L312-L347 HydrophobicContact CB-CD2 3.84Å; L312-L347 HydrophobicContact CD1-CD2 4.44Å; L312-H351 HydrophobicContact CD1-CB 4.19Å; L312-L353 HydrophobicContact CD1-CD1 3.89Å
313I90.7Very high86.4Confident3 Ų339.8 Ų39.82%0.01521%0.208CC..Hα-helixtrans-60-50.7176.8-70.1163.1000110.2A309 H310 K315 Y316 L317 L339 Y344 L347 P359 V364A309-I313 WeakPolarHBondContact O-CB 3.32Å; A309-I313 WeakPolarHBondContact O-CD1 3.39Å; A309-I313 WeakPolarHBondContact O-CG1 3.39Å; A309-I313 PolarHBondContact O-N 3.09Å; H310-I313 PolarHBondContact O-N 3.39Å; I313-K315 VanDerWaalsContact C-N 3.29Å; I313-K315 PolarHBondContact O-N 3.43Å; I313-Y316 WeakPolarHBondContact O-CA 3.46Å; I313-Y316 WeakPolarHBondContact O-CB 3.49Å; I313-Y316 PolarHBondContact O-N 2.87Å; I313-L317 HydrophobicContact CG2-CD1 3.47Å; I313-L317 VanDerWaalsContact CG2-CD1 3.47Å; I313-L317 HydrophobicContact CG2-CG 4.02Å; I313-L317 WeakPolarHBondContact O-CG 3.41Å; I313-L317 PolarHBondContact O-N 3.08Å; I313-L317 VanDerWaalsContact O-N 3.1Å; I313-L339 HydrophobicContact CG2-CD2 4.04Å; I313-Y344 HydrophobicContact CD1-CE1 3.78Å; I313-Y344 HydrophobicContact CG1-CE1 4.14Å; I313-L347 HydrophobicContact CG1-CD1 3.75Å; I313-P359 HydrophobicContact CD1-CG 3.64Å; I313-V364 HydrophobicContact CD1-CG2 4.09Å; I313-V364 HydrophobicContact CG2-CG1 3.98Å
314A88.6Confident85.4Confident5 Ų545.4 Ų45.44%0.04124%0.235CC..Hα-helixtrans-52.5-47.6177.700000110.7L43 H310 Y316 L317 V318L43-A314 HydrophobicContact CD2-CB 3.97Å; H310-A314 VanDerWaalsContact O-CB 3.25Å; H310-A314 WeakPolarHBondContact O-CB 3.31Å; H310-A314 PolarHBondContact O-N 2.89Å; A314-Y316 PolarHBondContact O-N 3.45Å; A314-Y316 VanDerWaalsContact O-N 3.08Å; A314-L317 PolarHBondContact O-N 3.31Å; A314-V318 WeakPolarHBondContact O-CG2 3.4Å; A314-V318 PolarHBondContact O-N 2.95Å
315K87.5Confident84.5Confident149 Ų14949.7 Ų49.765%0.64826%0.255SS*.Hα-helixtrans-55.4-30.4175.6-175.8174.6-178.4169.50114.3A311 L312 I313A311-K315 PolarHBondContact O-N 2.91Å; A311-K315 VanDerWaalsContact O-N 3.11Å; L312-K315 WeakPolarHBondContact O-CB 3.48Å; L312-K315 PolarHBondContact O-N 3.34Å; I313-K315 VanDerWaalsContact C-N 3.29Å; I313-K315 PolarHBondContact O-N 3.43Å
316Y86Confident83.6Confident42 Ų4249.1 Ų49.117%0.16526%0.255CS..Hα-helixtrans-86.7-16.7176.3-82.1-79.7000114.3L312 I313 A314 R320 I343 L347L312-Y316 VanDerWaalsContact O-CD2 3.25Å; L312-Y316 WeakPolarHBondContact O-CD2 3.5Å; L312-Y316 PolarHBondContact O-N 3.14Å; I313-Y316 WeakPolarHBondContact O-CA 3.46Å; I313-Y316 WeakPolarHBondContact O-CB 3.49Å; I313-Y316 PolarHBondContact O-N 2.87Å; A314-Y316 PolarHBondContact O-N 3.45Å; A314-Y316 VanDerWaalsContact O-N 3.08Å; Y316-R320 WeakPolarHBondContact O-CD 2.92Å; Y316-R320 VanDerWaalsContact O-CZ 3.25Å; Y316-R320 PolarHBondContact O-NE 3.1Å; Y316-R320 PolarHBondContact O-NH1 2.88Å; Y316-I343 HydrophobicContact CD2-CG2 4.42Å; Y316-I343 HydrophobicContact CG-CG2 4.33Å; Y316-L347 HydrophobicContact CD2-CD2 3.76Å; Y316-L347 HydrophobicContact CE2-CD2 3.39Å; Y316-L347 HydrophobicContact CE2-CG 4.4Å
317L85.1Confident82.7Confident1 Ų151.8 Ų51.81%0.00528%0.281CS..Hα-helixtrans-103.2-31.3-177.1-60.4178.9000112.9I313 A314 G319 R320 F321 L335 I343 V364 V368 I375I313-L317 HydrophobicContact CG2-CD1 3.47Å; I313-L317 VanDerWaalsContact CG2-CD1 3.47Å; I313-L317 HydrophobicContact CG2-CG 4.02Å; I313-L317 WeakPolarHBondContact O-CG 3.41Å; I313-L317 PolarHBondContact O-N 3.08Å; I313-L317 VanDerWaalsContact O-N 3.1Å; A314-L317 PolarHBondContact O-N 3.31Å; L317-G319 PolarHBondContact O-N 3.44Å; L317-R320 VanDerWaalsContact O-CB 3.32Å; L317-R320 WeakPolarHBondContact O-CB 3.33Å; L317-R320 PolarHBondContact O-N 2.95Å; L317-F321 HydrophobicContact CD2-CD2 4.45Å; L317-F321 HydrophobicContact CD2-CE2 3.66Å; L317-L335 HydrophobicContact CD1-CD1 4.36Å; L317-L335 HydrophobicContact CD2-CD1 3.94Å; L317-I343 HydrophobicContact CD2-CD1 3.58Å; L317-V364 HydrophobicContact CD1-CG1 4.3Å; L317-V368 HydrophobicContact CD1-CG2 4.15Å; L317-I375 HydrophobicContact CB-CD1 3.36Å; L317-I375 HydrophobicContact CB-CG1 4.27Å; L317-I375 HydrophobicContact CD1-CD1 3.61Å; L317-I375 HydrophobicContact CG-CD1 4.14Å
318V81.8Confident81.9Confident55 Ų5557.4 Ų57.433%0.33331%0.307SS..THydrogen-bonded Turntrans-51128.6177.5171.10000109.8A314 R320 I375 T378A314-V318 WeakPolarHBondContact O-CG2 3.4Å; A314-V318 PolarHBondContact O-N 2.95Å; V318-R320 PolarHBondContact O-N 2.58Å; V318-I375 HydrophobicContact CG2-CG1 4.48Å; V318-I375 VanDerWaalsContact CG2-O 3.27Å; V318-I375 WeakPolarHBondContact CG2-O 3.48Å; V318-T378 VanDerWaalsContact CG2-O 3.32Å; V318-T378 WeakPolarHBondContact CG2-O 3.38Å
319G75Confident81.2Confident72 Ų7268 Ų6874%0.74235%0.346SS*.THydrogen-bonded Turntrans723.6-179.200000115.7L317L317-G319 PolarHBondContact O-N 3.44Å
320R81Confident80.8Confident119 Ų11971.2 Ų71.245%0.44937%0.368SS..SBendtrans-101.6-11-178.7-61.3-151.1177.3150.7-11.2115.3Y316 L317 V318Y316-R320 WeakPolarHBondContact O-CD 2.92Å; Y316-R320 VanDerWaalsContact O-CZ 3.25Å; Y316-R320 PolarHBondContact O-NE 3.1Å; Y316-R320 PolarHBondContact O-NH1 2.88Å; L317-R320 VanDerWaalsContact O-CB 3.32Å; L317-R320 WeakPolarHBondContact O-CB 3.33Å; L317-R320 PolarHBondContact O-N 2.95Å; V318-R320 PolarHBondContact O-N 2.58Å
321F75.2Confident80.5Confident21 Ų2171.3 Ų71.39%0.09237%0.369CS..SBendtrans-131.7137.8178.1-62.7-77.1000108.7L317 F331 L335L317-F321 HydrophobicContact CD2-CD2 4.45Å; L317-F321 HydrophobicContact CD2-CE2 3.66Å; F321-F331 AromaticContact CD1-CE2 3.55Å; F321-F331 HydrophobicContact CD1-CE2 3.55Å; F321-F331 HydrophobicContact CD1-CZ 4.3Å; F321-F331 AromaticContact CE1-CE2 3.64Å; F321-F331 HydrophobicContact CE1-CE2 3.64Å; F321-F331 HydrophobicContact CE1-CZ 4.45Å; F321-F331 HydrophobicContact CG-CE2 4.01Å; F321-F331 HydrophobicContact CG-CZ 4.34Å; F321-F331 HydrophobicContact CZ-CE2 4.22Å; F321-L335 HydrophobicContact CE2-CD1 4.16Å; F321-L335 HydrophobicContact CZ-CD1 4.12Å
322K70.9Confident80.1Confident137 Ų13774.2 Ų74.260%0.59638%0.381SS*.  trans-85.3149.5168.7-65.5-174.5178.2-175.20109.1E324 Q325K322-E324 PolarHBondContact O-N 2.86Å; K322-Q325 HydrophobicContact CB-CG 4.38Å; K322-Q325 WeakPolarHBondContact O-CB 3.47Å; K322-Q325 PolarHBondContact O-N 3.41Å
323P68.7Low80Confident89 Ų8983.2 Ų83.258%0.57842%0.415SS*.Hα-helixtrans-52.4-37.4176.4-27.134.7000113.3Q325 T326P323-Q325 PolarHBondContact O-N 2.86Å; P323-T326 PolarHBondContact O-N 3.32Å; P323-T326 VanDerWaalsContact O-N 3.16Å; P323-T326 PolarHBondContact O-OG1 2.76Å
324E72.4Confident79.8Confident147 Ų14786.6 Ų86.669%0.68744%0.436SS*.Hα-helixtrans-58.3-31.7176.3-64.4160.8-166.600113.2K322K322-E324 PolarHBondContact O-N 2.86Å
325Q73Confident79.8Confident91 Ų9186.3 Ų86.343%0.42543%0.434SS..Hα-helixtrans-75.1-26.5-178-66.2179.9-34.300112.7K322 P323 A327 F331K322-Q325 HydrophobicContact CB-CG 4.38Å; K322-Q325 WeakPolarHBondContact O-CB 3.47Å; K322-Q325 PolarHBondContact O-N 3.41Å; P323-Q325 PolarHBondContact O-N 2.86Å; Q325-A327 VanDerWaalsContact C-N 3.29Å; Q325-A327 PolarHBondContact O-N 3.1Å; Q325-F331 WeakPolarHBondContact O-CB 3.43Å; Q325-F331 WeakPolarHBondContact O-CD2 3.48Å
326T73.6Confident79.8Confident31 Ų3180 Ų8019%0.1941%0.409CS..Hα-helixtrans-74.3-23.8-176.265.20000112.3P323 H328 F331P323-T326 PolarHBondContact O-N 3.32Å; P323-T326 VanDerWaalsContact O-N 3.16Å; P323-T326 PolarHBondContact O-OG1 2.76Å; T326-H328 VanDerWaalsContact C-N 3.35Å; T326-F331 HydrophobicContact CG2-CD1 4.4Å; T326-F331 HydrophobicContact CG2-CE1 3.85Å; T326-F331 HydrophobicContact CG2-CE2 4.3Å; T326-F331 HydrophobicContact CG2-CZ 3.81Å
327A71.5Confident80Confident88 Ų8881.9 Ų81.973%0.72742%0.422SS*.THydrogen-bonded Turntrans-74.5-18.9178.700000114.1Q325Q325-A327 VanDerWaalsContact C-N 3.29Å; Q325-A327 PolarHBondContact O-N 3.1Å
328H78.1Confident80.2Confident118 Ų11885.1 Ų85.155%0.54643%0.434SS..SBendtrans-71135.6-179.9-75.8-74.7000111.7T326 S330 F331T326-H328 VanDerWaalsContact C-N 3.35Å; H328-S330 PolarHBondContact O-N 2.87Å; H328-S330 VanDerWaalsContact O-N 3.09Å; H328-F331 WeakPolarHBondContact O-CB 3.34Å; H328-F331 PolarHBondContact O-N 2.91Å
329R77.3Confident80.6Confident244 Ų24482.5 Ų82.592%0.92142%0.418SS*.THydrogen-bonded Turntrans-56.6-28.3175.5-70.3-175.7-179.91780.2113.6F331R329-F331 VanDerWaalsContact C-N 3.26Å; R329-F331 PolarHBondContact O-N 2.88Å
330S84.7Confident81.4Confident70 Ų7082.9 Ų82.949%0.4940%0.403SS..THydrogen-bonded Turntrans-76.1-11.3176.358.30000113.6H328 H332 R333 T334H328-S330 PolarHBondContact O-N 2.87Å; H328-S330 VanDerWaalsContact O-N 3.09Å; S330-H332 VanDerWaalsContact C-N 3.34Å; S330-H332 PolarHBondContact O-N 2.88Å; S330-R333 PolarHBondContact O-N 3.49Å; S330-T334 PolarHBondContact O-N 2.61Å; S330-T334 PolarHBondContact O-OG1 2.69Å
331F85.9Confident81.8Confident6 Ų683.3 Ų83.33%0.02641%0.408CS..Hα-helixtrans-60.7-42.4-178.9-176.6-116.7000111.5F321 Q325 T326 H328 R329 R333 T334 L335 Y365 V368 T369F321-F331 AromaticContact CD1-CE2 3.55Å; F321-F331 HydrophobicContact CD1-CE2 3.55Å; F321-F331 HydrophobicContact CD1-CZ 4.3Å; F321-F331 AromaticContact CE1-CE2 3.64Å; F321-F331 HydrophobicContact CE1-CE2 3.64Å; F321-F331 HydrophobicContact CE1-CZ 4.45Å; F321-F331 HydrophobicContact CG-CE2 4.01Å; F321-F331 HydrophobicContact CG-CZ 4.34Å; F321-F331 HydrophobicContact CZ-CE2 4.22Å; Q325-F331 WeakPolarHBondContact O-CB 3.43Å; Q325-F331 WeakPolarHBondContact O-CD2 3.48Å; T326-F331 HydrophobicContact CG2-CD1 4.4Å; T326-F331 HydrophobicContact CG2-CE1 3.85Å; T326-F331 HydrophobicContact CG2-CE2 4.3Å; T326-F331 HydrophobicContact CG2-CZ 3.81Å; H328-F331 WeakPolarHBondContact O-CB 3.34Å; H328-F331 PolarHBondContact O-N 2.91Å; R329-F331 VanDerWaalsContact C-N 3.26Å; R329-F331 PolarHBondContact O-N 2.88Å; F331-R333 VanDerWaalsContact C-N 3.33Å; F331-R333 PolarHBondContact O-N 3.17Å; F331-T334 PolarHBondContact O-N 3.12Å; F331-T334 VanDerWaalsContact O-N 3.17Å; F331-L335 HydrophobicContact CE1-CB 4.43Å; F331-L335 HydrophobicContact CE1-CD2 3.98Å; F331-L335 HydrophobicContact CE2-CB 4.44Å; F331-L335 HydrophobicContact CZ-CB 4.26Å; F331-L335 HydrophobicContact CZ-CD1 4.34Å; F331-L335 HydrophobicContact CZ-CD2 4.15Å; F331-L335 HydrophobicContact CZ-CG 4.48Å; F331-L335 VanDerWaalsContact O-CB 3.26Å; F331-L335 WeakPolarHBondContact O-CB 3.48Å; F331-L335 PolarHBondContact O-N 2.56Å; F331-Y365 AromaticContact CD1-CD2 3.9Å; F331-Y365 HydrophobicContact CD1-CD2 3.9Å; F331-Y365 AromaticContact CD1-CE2 3.75Å; F331-Y365 HydrophobicContact CD1-CE2 3.75Å; F331-Y365 HydrophobicContact CE1-CD2 4.26Å; F331-Y365 HydrophobicContact CE1-CE2 4.49Å; F331-V368 HydrophobicContact CE1-CG1 4.28Å; F331-V368 HydrophobicContact CZ-CG1 4.33Å; F331-T369 HydrophobicContact CD1-CG2 3.85Å; F331-T369 HydrophobicContact CE1-CG2 3.9Å
332H84.7Confident82.5Confident63 Ų6390.3 Ų90.329%0.29243%0.434SS..Hα-helixtrans-53.6-49.4176.6176.6-120.2000111.8S330 A336 Y362 Y365S330-H332 VanDerWaalsContact C-N 3.34Å; S330-H332 PolarHBondContact O-N 2.88Å; H332-A336 WeakPolarHBondContact O-CB 3.49Å; H332-A336 PolarHBondContact O-N 3.06Å; H332-Y362 AromaticContact NE2-CD2 3.87Å; H332-Y365 HydrophobicContact CB-CD1 4.3Å; H332-Y365 HydrophobicContact CB-CD2 3.78Å; H332-Y365 HydrophobicContact CB-CE1 4.14Å; H332-Y365 HydrophobicContact CB-CE2 3.58Å; H332-Y365 HydrophobicContact CB-CG 4.14Å; H332-Y365 AromaticContact CD2-CD1 3.53Å; H332-Y365 AromaticContact CD2-CD2 3.93Å; H332-Y365 AromaticContact CD2-CG 3.42Å; H332-Y365 VanDerWaalsContact CD2-CG 3.42Å
333R87.9Confident83.4Confident196 Ų19684 Ų8474%0.7441%0.407SS*.Hα-helixtrans-65-44.7178.5-67.6-176.6-177.7169.30.8111.5S330 F331 A336 D337S330-R333 PolarHBondContact O-N 3.49Å; F331-R333 VanDerWaalsContact C-N 3.33Å; F331-R333 PolarHBondContact O-N 3.17Å; R333-A336 PolarHBondContact O-N 3.1Å; R333-D337 WeakPolarHBondContact O-CB 3.33Å; R333-D337 PolarHBondContact O-N 2.88Å
334T87.1Confident84.6Confident74 Ų7480.4 Ų80.445%0.45438%0.382SS..Hα-helixtrans-63.2-44.1-179.5-54.80000111.9S330 F331 R338S330-T334 PolarHBondContact O-N 2.61Å; S330-T334 PolarHBondContact O-OG1 2.69Å; F331-T334 PolarHBondContact O-N 3.12Å; F331-T334 VanDerWaalsContact O-N 3.17Å; T334-R338 WeakPolarHBondContact O-CB 3.48Å; T334-R338 PolarHBondContact O-N 3.43Å
335L88.3Confident85.5Confident0 Ų079 Ų790%037%0.373CS..Hα-helixtrans-66.2-48176.7-177.766000110.3L317 F321 F331 D337 R338 L339 Y365L317-L335 HydrophobicContact CD1-CD1 4.36Å; L317-L335 HydrophobicContact CD2-CD1 3.94Å; F321-L335 HydrophobicContact CE2-CD1 4.16Å; F321-L335 HydrophobicContact CZ-CD1 4.12Å; F331-L335 HydrophobicContact CE1-CB 4.43Å; F331-L335 HydrophobicContact CE1-CD2 3.98Å; F331-L335 HydrophobicContact CE2-CB 4.44Å; F331-L335 HydrophobicContact CZ-CB 4.26Å; F331-L335 HydrophobicContact CZ-CD1 4.34Å; F331-L335 HydrophobicContact CZ-CD2 4.15Å; F331-L335 HydrophobicContact CZ-CG 4.48Å; F331-L335 VanDerWaalsContact O-CB 3.26Å; F331-L335 WeakPolarHBondContact O-CB 3.48Å; F331-L335 PolarHBondContact O-N 2.56Å; L335-D337 VanDerWaalsContact C-N 3.35Å; L335-D337 PolarHBondContact O-N 3.33Å; L335-R338 PolarHBondContact O-N 2.96Å; L335-R338 VanDerWaalsContact O-N 3.14Å; L335-L339 HydrophobicContact CD1-CD1 4.2Å; L335-L339 HydrophobicContact CD1-CG 4.19Å; L335-L339 HydrophobicContact CD2-CD1 4.36Å; L335-L339 HydrophobicContact CG-CD1 3.8Å; L335-L339 HydrophobicContact CG-CG 4.22Å; L335-L339 WeakPolarHBondContact O-CB 3.38Å; L335-L339 VanDerWaalsContact O-CG 3.28Å; L335-L339 WeakPolarHBondContact O-CG 3.37Å; L335-L339 PolarHBondContact O-N 3.45Å; L335-Y365 HydrophobicContact CD2-CD2 4.28Å
336A87.7Confident86.3Confident16 Ų1680.7 Ų80.713%0.13238%0.38CS..Hα-helixtrans-58.7-44.9178.200000112.2H332 R333 R338 L339 N340 A361H332-A336 WeakPolarHBondContact O-CB 3.49Å; H332-A336 PolarHBondContact O-N 3.06Å; R333-A336 PolarHBondContact O-N 3.1Å; A336-R338 PolarHBondContact O-N 2.96Å; A336-L339 PolarHBondContact O-N 3.35Å; A336-N340 WeakPolarHBondContact O-CB 3.43Å; A336-N340 PolarHBondContact O-N 3.2Å; A336-N340 PolarHBondContact O-ND2 3.37Å; A336-A361 HydrophobicContact CB-CB 3.8Å
337D89.9Confident87.1Confident81 Ų8179.2 Ų79.243%0.43337%0.37SS..Hα-helixtrans-60.4-45174.6-91.9-26.1000111.7R333 L335 K341R333-D337 WeakPolarHBondContact O-CB 3.33Å; R333-D337 PolarHBondContact O-N 2.88Å; L335-D337 VanDerWaalsContact C-N 3.35Å; L335-D337 PolarHBondContact O-N 3.33Å; D337-K341 HydrophobicContact CB-CD 4.41Å; D337-K341 VanDerWaalsContact CG-NZ 3.34Å; D337-K341 WeakPolarHBondContact O-CB 3.3Å; D337-K341 WeakPolarHBondContact O-CG 3.35Å; D337-K341 PolarHBondContact O-N 2.88Å; D337-K341 WeakPolarHBondContact OD1-CE 3.18Å; D337-K341 IonicContact OD1-NZ 2.88Å; D337-K341 PolarHBondContact OD1-NZ 3.35Å; D337-K341 IonicContact OD2-NZ 2.98Å
338R89.2Confident88Confident69 Ų6977.6 Ų77.626%0.2635%0.349SS..Hα-helixtrans-65.5-41.5179.1-165.7179.5-166.616210.8111.8T334 L335 A336 R342 I343T334-R338 WeakPolarHBondContact O-CB 3.48Å; T334-R338 PolarHBondContact O-N 3.43Å; L335-R338 PolarHBondContact O-N 2.96Å; L335-R338 VanDerWaalsContact O-N 3.14Å; A336-R338 PolarHBondContact O-N 2.96Å; R338-R342 WeakPolarHBondContact O-CB 3.31Å; R338-R342 PolarHBondContact O-N 3.41Å; R338-I343 HydrophobicContact CG-CD1 4.1Å; R338-I343 PolarHBondContact O-N 2.87Å
339L91Very high88.6Confident0 Ų082 Ų820%036%0.361CS..Iπ-helixtrans-62.8-61.2177.4-72.4171.4000110.2I313 L335 A336 I343 Y344 A361 V364I313-L339 HydrophobicContact CG2-CD2 4.04Å; L335-L339 HydrophobicContact CD1-CD1 4.2Å; L335-L339 HydrophobicContact CD1-CG 4.19Å; L335-L339 HydrophobicContact CD2-CD1 4.36Å; L335-L339 HydrophobicContact CG-CD1 3.8Å; L335-L339 HydrophobicContact CG-CG 4.22Å; L335-L339 WeakPolarHBondContact O-CB 3.38Å; L335-L339 VanDerWaalsContact O-CG 3.28Å; L335-L339 WeakPolarHBondContact O-CG 3.37Å; L335-L339 PolarHBondContact O-N 3.45Å; A336-L339 PolarHBondContact O-N 3.35Å; L339-I343 HydrophobicContact CD2-CB 4.33Å; L339-I343 HydrophobicContact CD2-CD1 3.93Å; L339-I343 HydrophobicContact CD2-CG2 4.41Å; L339-I343 PolarHBondContact O-N 2.89Å; L339-I343 VanDerWaalsContact O-N 3.07Å; L339-Y344 HydrophobicContact CB-CD1 4.42Å; L339-Y344 HydrophobicContact CB-CE1 4.08Å; L339-Y344 HydrophobicContact CB-CE2 4.32Å; L339-Y344 HydrophobicContact CD2-CD1 4.45Å; L339-Y344 HydrophobicContact CD2-CE1 3.81Å; L339-Y344 HydrophobicContact CG-CE1 4.41Å; L339-Y344 WeakPolarHBondContact O-CB 3.44Å; L339-Y344 PolarHBondContact O-N 2.91Å; L339-A361 HydrophobicContact CD1-CB 4.14Å; L339-V364 HydrophobicContact CD1-CB 3.79Å; L339-V364 HydrophobicContact CD1-CG1 3.73Å; L339-V364 HydrophobicContact CD1-CG2 4.28Å; L339-V364 HydrophobicContact CD2-CG1 4.36Å
340N90.9Very high89.2Confident80 Ų8077 Ų7743%0.42835%0.346SS..Iπ-helixtrans-68.3-42-172.4-66.4-22.8000112.9A336 Y344A336-N340 WeakPolarHBondContact O-CB 3.43Å; A336-N340 PolarHBondContact O-N 3.2Å; A336-N340 PolarHBondContact O-ND2 3.37Å; N340-Y344 WeakPolarHBondContact OD1-CD2 3.28Å; N340-Y344 WeakPolarHBondContact OD1-CE2 3.32Å
341K89.3Confident89.2Confident128 Ų12876.9 Ų76.956%0.55734%0.337SS*.Iπ-helixtrans-81.7-29.8-175.7-63.9170.5172154.80113D337D337-K341 HydrophobicContact CB-CD 4.41Å; D337-K341 VanDerWaalsContact CG-NZ 3.34Å; D337-K341 WeakPolarHBondContact O-CB 3.3Å; D337-K341 WeakPolarHBondContact O-CG 3.35Å; D337-K341 PolarHBondContact O-N 2.88Å; D337-K341 WeakPolarHBondContact OD1-CE 3.18Å; D337-K341 IonicContact OD1-NZ 2.88Å; D337-K341 PolarHBondContact OD1-NZ 3.35Å; D337-K341 IonicContact OD2-NZ 2.98Å
342R89.9Confident89.2Confident169 Ų16985.8 Ų85.864%0.63838%0.376SS*.Iπ-helixtrans-123.4-54.6-171.3-61.4-177.5178.6176.70.3114R338 K346R338-R342 WeakPolarHBondContact O-CB 3.31Å; R338-R342 PolarHBondContact O-N 3.41Å; R342-K346 WeakPolarHBondContact O-CB 3.2Å; R342-K346 VanDerWaalsContact O-CG 3.24Å; R342-K346 WeakPolarHBondContact O-CG 3.5Å; R342-K346 PolarHBondContact O-N 3.18Å
343I90.1Very high89.1Confident4 Ų483.5 Ų83.52%0.02137%0.366CS..Iπ-helixtrans-73-52.8-169.1-62.1170.7000110.5Y316 L317 R338 L339 K345 K346 L347Y316-I343 HydrophobicContact CD2-CG2 4.42Å; Y316-I343 HydrophobicContact CG-CG2 4.33Å; L317-I343 HydrophobicContact CD2-CD1 3.58Å; R338-I343 HydrophobicContact CG-CD1 4.1Å; R338-I343 PolarHBondContact O-N 2.87Å; L339-I343 HydrophobicContact CD2-CB 4.33Å; L339-I343 HydrophobicContact CD2-CD1 3.93Å; L339-I343 HydrophobicContact CD2-CG2 4.41Å; L339-I343 PolarHBondContact O-N 2.89Å; L339-I343 VanDerWaalsContact O-N 3.07Å; I343-K345 PolarHBondContact O-N 2.9Å; I343-K346 CarbonylContact O-C 3.27Å; I343-K346 WeakPolarHBondContact O-CA 3.32Å; I343-K346 WeakPolarHBondContact O-CB 3.3Å; I343-K346 PolarHBondContact O-N 3.37Å; I343-L347 HydrophobicContact CG2-CD1 3.8Å; I343-L347 HydrophobicContact CG2-CG 4.04Å; I343-L347 WeakPolarHBondContact O-CG 3.47Å; I343-L347 PolarHBondContact O-N 3.12Å
344Y93.2Very high89Confident13 Ų1379 Ų795%0.05136%0.356CS..Hα-helixtrans-59.9-47-177.7-69.8-3.9000112I313 L339 N340 K346 L347 I348 L358 P359 V364I313-Y344 HydrophobicContact CD1-CE1 3.78Å; I313-Y344 HydrophobicContact CG1-CE1 4.14Å; L339-Y344 HydrophobicContact CB-CD1 4.42Å; L339-Y344 HydrophobicContact CB-CE1 4.08Å; L339-Y344 HydrophobicContact CB-CE2 4.32Å; L339-Y344 HydrophobicContact CD2-CD1 4.45Å; L339-Y344 HydrophobicContact CD2-CE1 3.81Å; L339-Y344 HydrophobicContact CG-CE1 4.41Å; L339-Y344 WeakPolarHBondContact O-CB 3.44Å; L339-Y344 PolarHBondContact O-N 2.91Å; N340-Y344 WeakPolarHBondContact OD1-CD2 3.28Å; N340-Y344 WeakPolarHBondContact OD1-CE2 3.32Å; Y344-K346 VanDerWaalsContact C-N 3.26Å; Y344-K346 PolarHBondContact O-N 3.38Å; Y344-L347 HydrophobicContact CD1-CD1 4.45Å; Y344-L347 PolarHBondContact O-N 3.28Å; Y344-L347 VanDerWaalsContact O-N 3.07Å; Y344-I348 VanDerWaalsContact O-CG1 3.3Å; Y344-I348 WeakPolarHBondContact O-CG1 3.33Å; Y344-I348 PolarHBondContact O-N 3.07Å; Y344-L358 HydrophobicContact CD1-CD1 4.13Å; Y344-L358 HydrophobicContact CD1-CD2 4.48Å; Y344-L358 HydrophobicContact CD2-CD1 4.2Å; Y344-L358 HydrophobicContact CG-CD1 3.82Å; Y344-P359 PolarHBondContact OH-O 3.46Å; Y344-V364 WeakPolarHBondContact OH-CG2 3.39Å
345K91.8Very high89Confident118 Ų11881 Ų8151%0.51336%0.364SS..Hα-helixtrans-56.7-38174.2-63.7-171.4-176.8-177.40113I343 R349I343-K345 PolarHBondContact O-N 2.9Å; K345-R349 VanDerWaalsContact O-CG 3.28Å; K345-R349 WeakPolarHBondContact O-CG 3.07Å; K345-R349 PolarHBondContact O-N 3.5Å
346K91.1Very high88.7Confident127 Ų12786.1 Ų86.155%0.55240%0.398SS*.Hα-helixtrans-71.7-41175.7-76.6179.7-179.1-170.50111.9R342 I343 Y344 K350R342-K346 WeakPolarHBondContact O-CB 3.2Å; R342-K346 VanDerWaalsContact O-CG 3.24Å; R342-K346 WeakPolarHBondContact O-CG 3.5Å; R342-K346 PolarHBondContact O-N 3.18Å; I343-K346 CarbonylContact O-C 3.27Å; I343-K346 WeakPolarHBondContact O-CA 3.32Å; I343-K346 WeakPolarHBondContact O-CB 3.3Å; I343-K346 PolarHBondContact O-N 3.37Å; Y344-K346 VanDerWaalsContact C-N 3.26Å; Y344-K346 PolarHBondContact O-N 3.38Å; K346-K350 WeakPolarHBondContact O-CB 3.21Å; K346-K350 PolarHBondContact O-N 3.39Å
347L90.3Very high88.6Confident0 Ų086.6 Ų86.60%040%0.399CS..Hα-helixtrans-64.2-48.6178.8-70.5-178.1000111.6L312 I313 Y316 I343 Y344 R349 K350 H351 L353 L358L312-L347 HydrophobicContact CB-CD1 4.37Å; L312-L347 HydrophobicContact CB-CD2 3.84Å; L312-L347 HydrophobicContact CD1-CD2 4.44Å; I313-L347 HydrophobicContact CG1-CD1 3.75Å; Y316-L347 HydrophobicContact CD2-CD2 3.76Å; Y316-L347 HydrophobicContact CE2-CD2 3.39Å; Y316-L347 HydrophobicContact CE2-CG 4.4Å; I343-L347 HydrophobicContact CG2-CD1 3.8Å; I343-L347 HydrophobicContact CG2-CG 4.04Å; I343-L347 WeakPolarHBondContact O-CG 3.47Å; I343-L347 PolarHBondContact O-N 3.12Å; Y344-L347 HydrophobicContact CD1-CD1 4.45Å; Y344-L347 PolarHBondContact O-N 3.28Å; Y344-L347 VanDerWaalsContact O-N 3.07Å; L347-R349 VanDerWaalsContact C-N 3.34Å; L347-R349 PolarHBondContact O-N 2.92Å; L347-K350 PolarHBondContact O-N 3.22Å; L347-H351 WeakPolarHBondContact O-CB 3.35Å; L347-H351 PolarHBondContact O-N 2.73Å; L347-L353 HydrophobicContact CB-CD1 4.24Å; L347-L358 HydrophobicContact CD1-CD2 4.36Å
348I90.5Very high88.6Confident54 Ų5483.6 Ų83.628%0.27738%0.383SS..Hα-helixtrans-54.8-50.8176.5-68.2166.4000110.2Y344 K352 D355 L358Y344-I348 VanDerWaalsContact O-CG1 3.3Å; Y344-I348 WeakPolarHBondContact O-CG1 3.33Å; Y344-I348 PolarHBondContact O-N 3.07Å; I348-K352 WeakPolarHBondContact O-CA 3.33Å; I348-K352 PolarHBondContact O-N 3.39Å; I348-D355 HydrophobicContact CD1-CB 4.45Å; I348-L358 HydrophobicContact CD1-CD1 3.93Å; I348-L358 HydrophobicContact CG1-CD1 3.85Å
349R90.3Very high88.7Confident209 Ų20981 Ų8179%0.78937%0.374SS*.Hα-helixtrans-66.1-44.6-179.3-71176.7-177.5173.7-0.3113.1K345 L347K345-R349 VanDerWaalsContact O-CG 3.28Å; K345-R349 WeakPolarHBondContact O-CG 3.07Å; K345-R349 PolarHBondContact O-N 3.5Å; L347-R349 VanDerWaalsContact C-N 3.34Å; L347-R349 PolarHBondContact O-N 2.92Å
350K89.6Confident88.6Confident139 Ų13983.8 Ų83.860%0.60439%0.394SS*.Hα-helixtrans-79.2-38.2-172.6-175.3176178.2177.80113K346 L347K346-K350 WeakPolarHBondContact O-CB 3.21Å; K346-K350 PolarHBondContact O-N 3.39Å; L347-K350 PolarHBondContact O-N 3.22Å
351H85.5Confident88.6Confident68 Ų6880.5 Ų80.532%0.31538%0.378SS..Hα-helixtrans-107.80.3-173.1-66.5-80.2000113.3L312 L347 L353L312-H351 HydrophobicContact CD1-CB 4.19Å; L347-H351 WeakPolarHBondContact O-CB 3.35Å; L347-H351 PolarHBondContact O-N 2.73Å; H351-L353 HydrophobicContact CB-CD1 4.24Å; H351-L353 HydrophobicContact CB-CD2 4.31Å; H351-L353 HydrophobicContact CB-CG 3.86Å; H351-L353 PolarHBondContact O-N 3.49Å
352K84.7Confident88.6Confident193 Ų19381 Ų8184%0.83938%0.378SS*.  trans54.439.1-177.3-56.1-174.1-179.6-175.90112.5I348I348-K352 WeakPolarHBondContact O-CA 3.33Å; I348-K352 PolarHBondContact O-N 3.39Å
353L83.5Confident88.4Confident16 Ų1675.6 Ų75.68%0.08436%0.361CS..  trans-78.1150.2176.6-58.7177.6000110.4L312 L347 H351 L358L312-L353 HydrophobicContact CD1-CD1 3.89Å; L347-L353 HydrophobicContact CB-CD1 4.24Å; H351-L353 HydrophobicContact CB-CD1 4.24Å; H351-L353 HydrophobicContact CB-CD2 4.31Å; H351-L353 HydrophobicContact CB-CG 3.86Å; H351-L353 PolarHBondContact O-N 3.49Å; L353-L358 HydrophobicContact CD1-CD2 4.07Å
354L85.6Confident88.4Confident101 Ų10175.4 Ų75.453%0.52936%0.36SS..  trans-80.4149.8167.7-60.4173.6000109.8C356 D357L354-C356 VanDerWaalsContact C-N 3.26Å; L354-C356 PolarHBondContact O-N 2.71Å; L354-D357 HydrophobicContact CB-CB 4.44Å; L354-D357 PolarHBondContact O-N 3.45Å
355D85.9Confident88.2Confident117 Ų11777.4 Ų77.463%0.62637%0.368SS*.G310 helixtrans-64.1-35.6177.6-163.541.2000111.5I348 D357 L358I348-D355 HydrophobicContact CD1-CB 4.45Å; D355-D357 PolarHBondContact O-N 3.39Å; D355-L358 PolarHBondContact O-N 2.93Å; D355-L358 VanDerWaalsContact O-N 3.15Å
356C83.8Confident88Confident106 Ų10676.8 Ų76.872%0.71637%0.365SS*.G310 helixtrans-66.8-19.7176.4630000114.2L354 L358L354-C356 VanDerWaalsContact C-N 3.26Å; L354-C356 PolarHBondContact O-N 2.71Å; C356-L358 VanDerWaalsContact C-N 3.29Å
357D83.8Confident87.8Confident26 Ų2670.8 Ų70.814%0.13934%0.339CS..G310 helixtrans-84.7-7178.1-65.9-24.5000111.5K305 L354 D355K305-D357 VanDerWaalsContact NZ-CG 3.3Å; K305-D357 IonicContact NZ-OD1 3.91Å; K305-D357 PolarHBondContact NZ-OD1 2.87Å; K305-D357 IonicContact NZ-OD2 2.85Å; K305-D357 PolarHBondContact NZ-OD2 2.87Å; L354-D357 HydrophobicContact CB-CB 4.44Å; L354-D357 PolarHBondContact O-N 3.45Å; D355-D357 PolarHBondContact O-N 3.39Å
358L89.9Confident87.6Confident19 Ų1971.2 Ų71.210%0.09934%0.342CS..SBendtrans-90.2136.3179-66.8173000111.4A309 Y344 L347 I348 L353 D355 C356A309-L358 HydrophobicContact CB-CD2 4.31Å; Y344-L358 HydrophobicContact CD1-CD1 4.13Å; Y344-L358 HydrophobicContact CD1-CD2 4.48Å; Y344-L358 HydrophobicContact CD2-CD1 4.2Å; Y344-L358 HydrophobicContact CG-CD1 3.82Å; L347-L358 HydrophobicContact CD1-CD2 4.36Å; I348-L358 HydrophobicContact CD1-CD1 3.93Å; I348-L358 HydrophobicContact CG1-CD1 3.85Å; L353-L358 HydrophobicContact CD1-CD2 4.07Å; D355-L358 PolarHBondContact O-N 2.93Å; D355-L358 VanDerWaalsContact O-N 3.15Å; C356-L358 VanDerWaalsContact C-N 3.29Å
359P91.2Very high87.3Confident13 Ų1370.9 Ų70.98%0.08434%0.342CS..PPolyproline II helixtrans-66.5151.8175.829.3-36.2000111.2Y49 I313 Y344 L363 V364Y49-P359 WeakPolarHBondContact OH-CB 3.31Å; I313-P359 HydrophobicContact CD1-CG 3.64Å; Y344-P359 PolarHBondContact OH-O 3.46Å; P359-L363 HydrophobicContact CB-CB 4.48Å; P359-V364 HydrophobicContact CB-CG2 4.01Å; P359-V364 HydrophobicContact CG-CG2 3.53Å
360S90.4Very high87Confident59 Ų5962.1 Ų62.141%0.41331%0.313SS..PPolyproline II helixtrans-61.6148.1172.7770000110.5Y362 L363 V364S360-Y362 PolarHBondContact O-N 3.19Å; S360-Y362 VanDerWaalsContact O-N 3.11Å; S360-L363 PolarHBondContact O-N 2.82Å; S360-L363 WeakPolarHBondContact OG-CG 3.19Å; S360-L363 PolarHBondContact OG-N 3.37Å; S360-V364 PolarHBondContact O-N 3.32Å; S360-V364 VanDerWaalsContact O-N 3.12Å
361A90.7Very high86.6Confident12 Ų1264.2 Ų64.210%0.09933%0.325CS..Hα-helixtrans-56.6-30.4177.300000112.4A336 L339 Y365A336-A361 HydrophobicContact CB-CB 3.8Å; L339-A361 HydrophobicContact CD1-CB 4.14Å; A361-Y365 VanDerWaalsContact O-CB 3.32Å; A361-Y365 WeakPolarHBondContact O-CB 3.43Å; A361-Y365 PolarHBondContact O-N 2.84Å
362Y88.2Confident86.3Confident138 Ų13869.7 Ų69.754%0.54134%0.344SS..Hα-helixtrans-66.2-43.7175177.4-102.7000112.5H332 S360 Y365 K366H332-Y362 AromaticContact NE2-CD2 3.87Å; S360-Y362 PolarHBondContact O-N 3.19Å; S360-Y362 VanDerWaalsContact O-N 3.11Å; Y362-Y365 WeakPolarHBondContact O-CB 3.45Å; Y362-Y365 PolarHBondContact O-N 3.48Å; Y362-K366 WeakPolarHBondContact O-CB 3.26Å; Y362-K366 PolarHBondContact O-N 2.96Å
363L87.2Confident86.1Confident55 Ų5561.1 Ų61.129%0.28831%0.307SS..Hα-helixtrans-65.2-41.8177-71175.4000111.6I48 Y49 P359 S360 K366 H367I48-L363 HydrophobicContact CG2-CB 4.46Å; I48-L363 HydrophobicContact CG2-CD2 3.89Å; Y49-L363 HydrophobicContact CE1-CD1 4.27Å; P359-L363 HydrophobicContact CB-CB 4.48Å; S360-L363 PolarHBondContact O-N 2.82Å; S360-L363 WeakPolarHBondContact OG-CG 3.19Å; S360-L363 PolarHBondContact OG-N 3.37Å; L363-K366 PolarHBondContact O-N 3.39Å; L363-H367 WeakPolarHBondContact O-CB 3.5Å; L363-H367 PolarHBondContact O-N 3.14Å
364V89.6Confident85.8Confident1 Ų163 Ų631%0.00632%0.317CS..Hα-helixtrans-63.2-44.2174.4-179.40000110.5I313 L317 L339 Y344 P359 S360 K366 H367 V368I313-V364 HydrophobicContact CD1-CG2 4.09Å; I313-V364 HydrophobicContact CG2-CG1 3.98Å; L317-V364 HydrophobicContact CD1-CG1 4.3Å; L339-V364 HydrophobicContact CD1-CB 3.79Å; L339-V364 HydrophobicContact CD1-CG1 3.73Å; L339-V364 HydrophobicContact CD1-CG2 4.28Å; L339-V364 HydrophobicContact CD2-CG1 4.36Å; Y344-V364 WeakPolarHBondContact OH-CG2 3.39Å; P359-V364 HydrophobicContact CB-CG2 4.01Å; P359-V364 HydrophobicContact CG-CG2 3.53Å; S360-V364 PolarHBondContact O-N 3.32Å; S360-V364 VanDerWaalsContact O-N 3.12Å; V364-K366 PolarHBondContact O-N 3.24Å; V364-H367 WeakPolarHBondContact O-CB 3.24Å; V364-H367 PolarHBondContact O-N 3.03Å; V364-V368 HydrophobicContact CG1-CG2 4.07Å; V364-V368 WeakPolarHBondContact O-CB 3.39Å; V364-V368 VanDerWaalsContact O-CG2 3.24Å; V364-V368 WeakPolarHBondContact O-CG2 3.18Å; V364-V368 PolarHBondContact O-N 2.95Å
365Y88.7Confident85.4Confident55 Ų5558.8 Ų58.822%0.21629%0.294CS..Hα-helixtrans-56-52.3174.9168-104000111.6F331 H332 L335 A361 Y362 H367 V368 T369F331-Y365 AromaticContact CD1-CD2 3.9Å; F331-Y365 HydrophobicContact CD1-CD2 3.9Å; F331-Y365 AromaticContact CD1-CE2 3.75Å; F331-Y365 HydrophobicContact CD1-CE2 3.75Å; F331-Y365 HydrophobicContact CE1-CD2 4.26Å; F331-Y365 HydrophobicContact CE1-CE2 4.49Å; H332-Y365 HydrophobicContact CB-CD1 4.3Å; H332-Y365 HydrophobicContact CB-CD2 3.78Å; H332-Y365 HydrophobicContact CB-CE1 4.14Å; H332-Y365 HydrophobicContact CB-CE2 3.58Å; H332-Y365 HydrophobicContact CB-CG 4.14Å; H332-Y365 AromaticContact CD2-CD1 3.53Å; H332-Y365 AromaticContact CD2-CD2 3.93Å; H332-Y365 AromaticContact CD2-CG 3.42Å; H332-Y365 VanDerWaalsContact CD2-CG 3.42Å; L335-Y365 HydrophobicContact CD2-CD2 4.28Å; A361-Y365 VanDerWaalsContact O-CB 3.32Å; A361-Y365 WeakPolarHBondContact O-CB 3.43Å; A361-Y365 PolarHBondContact O-N 2.84Å; Y362-Y365 WeakPolarHBondContact O-CB 3.45Å; Y362-Y365 PolarHBondContact O-N 3.48Å; Y365-H367 PolarHBondContact O-N 2.98Å; Y365-V368 PolarHBondContact O-N 3.44Å; Y365-V368 VanDerWaalsContact O-N 3.16Å; Y365-T369 HydrophobicContact CD2-CG2 3.72Å; Y365-T369 HydrophobicContact CE2-CG2 3.41Å; Y365-T369 VanDerWaalsContact CE2-CG2 3.41Å; Y365-T369 HydrophobicContact CG-CG2 4.45Å; Y365-T369 WeakPolarHBondContact O-CG2 3.38Å; Y365-T369 PolarHBondContact O-N 3.04Å; Y365-T369 PolarHBondContact O-OG1 3.4Å
366K86.7Confident84.8Confident104 Ų10456 Ų5645%0.45228%0.284SS..Hα-helixtrans-57.9-37.7179.3-169.4-175173.2-176.20111.9I48 Y362 L363 V364 S370I48-K366 HydrophobicContact CD1-CB 3.85Å; I48-K366 HydrophobicContact CD1-CD 3.72Å; I48-K366 HydrophobicContact CD1-CG 3.53Å; Y362-K366 WeakPolarHBondContact O-CB 3.26Å; Y362-K366 PolarHBondContact O-N 2.96Å; L363-K366 PolarHBondContact O-N 3.39Å; V364-K366 PolarHBondContact O-N 3.24Å; K366-S370 PolarHBondContact O-N 2.94Å
367H87.2Confident84.3Confident2 Ų258.6 Ų58.61%0.00928%0.283CS..Hα-helixtrans-64.3-53.3175.2-168.7-133.6000111.7L43 S44 I48 H310 L363 V364 Y365 T369 S370 Y373L43-H367 PolarHBondContact O-CE1 3.34Å; L43-H367 PolarHBondContact O-NE2 2.91Å; S44-H367 PolarHBondContact O-NE2 3.45Å; I48-H367 HydrophobicContact CD1-CB 4.26Å; I48-H367 HydrophobicContact CG1-CB 3.72Å; H310-H367 AromaticContact ND1-ND1 3.89Å; L363-H367 WeakPolarHBondContact O-CB 3.5Å; L363-H367 PolarHBondContact O-N 3.14Å; V364-H367 WeakPolarHBondContact O-CB 3.24Å; V364-H367 PolarHBondContact O-N 3.03Å; Y365-H367 PolarHBondContact O-N 2.98Å; H367-T369 VanDerWaalsContact C-N 3.3Å; H367-T369 PolarHBondContact O-N 2.88Å; H367-S370 WeakPolarHBondContact O-CB 3.49Å; H367-S370 PolarHBondContact O-N 2.95Å; H367-Y373 AromaticContact CE1-CD2 3.76Å; H367-Y373 AromaticContact CE1-CE1 3.71Å; H367-Y373 AromaticContact CE1-CE2 3.38Å; H367-Y373 WeakPolarHBondContact CE1-CE2 3.44Å; H367-Y373 AromaticContact CE1-CZ 3.34Å; H367-Y373 AromaticContact ND1-CE1 3.79Å; H367-Y373 AromaticContact ND1-CZ 3.83Å; H367-Y373 AromaticContact NE2-CD2 3.59Å; H367-Y373 AromaticContact NE2-CE2 3.68Å; H367-Y373 AromaticContact NE2-CG 3.86Å; H367-Y373 WeakPolarHBondContact O-CB 3.36Å; H367-Y373 VanDerWaalsContact O-CD1 3.31Å; H367-Y373 WeakPolarHBondContact O-CD1 3.46Å
368V85.7Confident83.8Confident9 Ų958.1 Ų58.16%0.05528%0.281CS..Hα-helixtrans-68.8-27-174.7176.50000113.1L317 F331 V364 Y365 Y373 I375L317-V368 HydrophobicContact CD1-CG2 4.15Å; F331-V368 HydrophobicContact CE1-CG1 4.28Å; F331-V368 HydrophobicContact CZ-CG1 4.33Å; V364-V368 HydrophobicContact CG1-CG2 4.07Å; V364-V368 WeakPolarHBondContact O-CB 3.39Å; V364-V368 VanDerWaalsContact O-CG2 3.24Å; V364-V368 WeakPolarHBondContact O-CG2 3.18Å; V364-V368 PolarHBondContact O-N 2.95Å; Y365-V368 PolarHBondContact O-N 3.44Å; Y365-V368 VanDerWaalsContact O-N 3.16Å; V368-Y373 HydrophobicContact CG2-CE1 4.37Å; V368-I375 HydrophobicContact CB-CD1 4.35Å; V368-I375 HydrophobicContact CG1-CB 4.34Å; V368-I375 HydrophobicContact CG1-CD1 3.79Å; V368-I375 HydrophobicContact CG1-CG2 4.14Å; V368-I375 HydrophobicContact CG2-CD1 3.62Å
369T85.2Confident82.8Confident47 Ų4762.5 Ų62.529%0.28831%0.312SS..THydrogen-bonded Turntrans-94.63.1176.662.10000113.7F331 Y365 H367F331-T369 HydrophobicContact CD1-CG2 3.85Å; F331-T369 HydrophobicContact CE1-CG2 3.9Å; Y365-T369 HydrophobicContact CD2-CG2 3.72Å; Y365-T369 HydrophobicContact CE2-CG2 3.41Å; Y365-T369 VanDerWaalsContact CE2-CG2 3.41Å; Y365-T369 HydrophobicContact CG-CG2 4.45Å; Y365-T369 WeakPolarHBondContact O-CG2 3.38Å; Y365-T369 PolarHBondContact O-N 3.04Å; Y365-T369 PolarHBondContact O-OG1 3.4Å; H367-T369 VanDerWaalsContact C-N 3.3Å; H367-T369 PolarHBondContact O-N 2.88Å
370S83.8Confident82.4Confident24 Ų2462.8 Ų62.817%0.16831%0.314CS..  trans-68.4136176.8-1770000110.4I47 K366 H367 Y372 Y373I47-S370 VanDerWaalsContact CG2-OG 3.24Å; I47-S370 WeakPolarHBondContact CG2-OG 3.39Å; K366-S370 PolarHBondContact O-N 2.94Å; H367-S370 WeakPolarHBondContact O-CB 3.49Å; H367-S370 PolarHBondContact O-N 2.95Å; S370-Y372 PolarHBondContact O-N 3.29Å; S370-Y372 VanDerWaalsContact O-N 3.14Å; S370-Y372 PolarHBondContact OG-N 3.36Å; S370-Y373 PolarHBondContact O-N 2.98Å
371E80.5Confident82.2Confident184 Ų18462.2 Ų62.286%0.8631%0.31SS*.THydrogen-bonded Turntrans-59.8-24.4177-62.9-177.8175.800112.8
372Y79.6Confident82.1Confident183 Ų18368.9 Ų68.972%0.71834%0.337SS*.THydrogen-bonded Turntrans-92.12.3-179.2-53.5-72.4000113.4S370S370-Y372 PolarHBondContact O-N 3.29Å; S370-Y372 VanDerWaalsContact O-N 3.14Å; S370-Y372 PolarHBondContact OG-N 3.36Å
373Y80.1Confident82.2Confident13 Ų1369.2 Ų69.25%0.05134%0.343CS..  trans-127.7113.8-178.3-176.9-103.8000111.9L43 H367 V368 S370 I375 T378L43-Y373 WeakPolarHBondContact O-CD2 3.2Å; L43-Y373 WeakPolarHBondContact O-CE2 3.41Å; H367-Y373 AromaticContact CE1-CD2 3.76Å; H367-Y373 AromaticContact CE1-CE1 3.71Å; H367-Y373 AromaticContact CE1-CE2 3.38Å; H367-Y373 WeakPolarHBondContact CE1-CE2 3.44Å; H367-Y373 AromaticContact CE1-CZ 3.34Å; H367-Y373 AromaticContact ND1-CE1 3.79Å; H367-Y373 AromaticContact ND1-CZ 3.83Å; H367-Y373 AromaticContact NE2-CD2 3.59Å; H367-Y373 AromaticContact NE2-CE2 3.68Å; H367-Y373 AromaticContact NE2-CG 3.86Å; H367-Y373 WeakPolarHBondContact O-CB 3.36Å; H367-Y373 VanDerWaalsContact O-CD1 3.31Å; H367-Y373 WeakPolarHBondContact O-CD1 3.46Å; V368-Y373 HydrophobicContact CG2-CE1 4.37Å; S370-Y373 PolarHBondContact O-N 2.98Å; Y373-I375 HydrophobicContact CD1-CB 4.41Å; Y373-I375 HydrophobicContact CE1-CB 3.79Å; Y373-I375 HydrophobicContact CE1-CD1 4.4Å; Y373-I375 HydrophobicContact CE1-CG1 4.08Å; Y373-T378 HydrophobicContact CE2-CG2 3.8Å; Y373-T378 WeakPolarHBondContact CE2-OG1 3.4Å
374D78.9Confident82.5Confident56 Ų5669 Ų6930%0.29934%0.342SS..  trans-104.992.5177.6-172.6-12.5000110.9S376 K377 T378D374-S376 PolarHBondContact O-N 3.09Å; D374-S376 VanDerWaalsContact OD1-CB 3.31Å; D374-S376 WeakPolarHBondContact OD1-CB 3.13Å; D374-S376 PolarHBondContact OD1-N 2.76Å; D374-S376 PolarHBondContact OD1-OG 2.78Å; D374-K377 HydrophobicContact CB-CB 4.28Å; D374-K377 HydrophobicContact CB-CD 4.38Å; D374-K377 HydrophobicContact CB-CG 4.44Å; D374-K377 PolarHBondContact O-N 2.85Å; D374-K377 WeakPolarHBondContact OD2-CD 3.25Å; D374-K377 WeakPolarHBondContact OD2-CE 3.27Å; D374-K377 WeakPolarHBondContact OD2-CG 3.18Å; D374-K377 IonicContact OD2-NZ 2.61Å; D374-K377 PolarHBondContact OD2-NZ 3.16Å; D374-T378 PolarHBondContact O-N 2.87Å; D374-T378 PolarHBondContact O-OG1 3.17Å
375I76.1Confident82.5Confident11 Ų1170 Ų706%0.05635%0.347CS..THydrogen-bonded Turntrans-57.6-21179-160.7165.5000114L317 V318 V368 Y373 K377L317-I375 HydrophobicContact CB-CD1 3.36Å; L317-I375 HydrophobicContact CB-CG1 4.27Å; L317-I375 HydrophobicContact CD1-CD1 3.61Å; L317-I375 HydrophobicContact CG-CD1 4.14Å; V318-I375 HydrophobicContact CG2-CG1 4.48Å; V318-I375 VanDerWaalsContact CG2-O 3.27Å; V318-I375 WeakPolarHBondContact CG2-O 3.48Å; V368-I375 HydrophobicContact CB-CD1 4.35Å; V368-I375 HydrophobicContact CG1-CB 4.34Å; V368-I375 HydrophobicContact CG1-CD1 3.79Å; V368-I375 HydrophobicContact CG1-CG2 4.14Å; V368-I375 HydrophobicContact CG2-CD1 3.62Å; Y373-I375 HydrophobicContact CD1-CB 4.41Å; Y373-I375 HydrophobicContact CE1-CB 3.79Å; Y373-I375 HydrophobicContact CE1-CD1 4.4Å; Y373-I375 HydrophobicContact CE1-CG1 4.08Å; I375-K377 VanDerWaalsContact C-N 3.33Å
376S72.6Confident82.7Confident58 Ų5872.2 Ų72.241%0.40636%0.359SS..THydrogen-bonded Turntrans-75.5-26.7177.476.90000112.1D374D374-S376 PolarHBondContact O-N 3.09Å; D374-S376 VanDerWaalsContact OD1-CB 3.31Å; D374-S376 WeakPolarHBondContact OD1-CB 3.13Å; D374-S376 PolarHBondContact OD1-N 2.76Å; D374-S376 PolarHBondContact OD1-OG 2.78Å
377K73.7Confident83Confident162 Ų16269.8 Ų69.870%0.70435%0.353SS*.THydrogen-bonded Turntrans-99.9-20.9179.7-65.1-179.4-171.3132.20113D374 I375 C379D374-K377 HydrophobicContact CB-CB 4.28Å; D374-K377 HydrophobicContact CB-CD 4.38Å; D374-K377 HydrophobicContact CB-CG 4.44Å; D374-K377 PolarHBondContact O-N 2.85Å; D374-K377 WeakPolarHBondContact OD2-CD 3.25Å; D374-K377 WeakPolarHBondContact OD2-CE 3.27Å; D374-K377 WeakPolarHBondContact OD2-CG 3.18Å; D374-K377 IonicContact OD2-NZ 2.61Å; D374-K377 PolarHBondContact OD2-NZ 3.16Å; I375-K377 VanDerWaalsContact C-N 3.33Å; K377-C379 PolarHBondContact O-N 3.49Å
378T73.5Confident83.3Confident16 Ų1669.7 Ų69.710%0.09835%0.353CS..  trans-66.3107.5-179.5-52.90000111.5A42 L43 V318 Y373 D374A42-T378 WeakPolarHBondContact O-CG2 3.35Å; L43-T378 HydrophobicContact CD2-CG2 3.76Å; V318-T378 VanDerWaalsContact CG2-O 3.32Å; V318-T378 WeakPolarHBondContact CG2-O 3.38Å; Y373-T378 HydrophobicContact CE2-CG2 3.8Å; Y373-T378 WeakPolarHBondContact CE2-OG1 3.4Å; D374-T378 PolarHBondContact O-N 2.87Å; D374-T378 PolarHBondContact O-OG1 3.17Å
379C70.1Confident83.5Confident111 Ų11171 Ų7175%0.7536%0.359SS*.  trans-125.5104.8174.5-167.80000110K377 S381K377-C379 PolarHBondContact O-N 3.49Å; C379-S381 PolarHBondContact O-N 2.91Å
380V81.3Confident83.8Confident18 Ų1872 Ų7211%0.10936%0.363CS..  trans-77.9121168-172.30000107.8V39 A42 L43 A311 L384 I385V39-V380 HydrophobicContact CG1-CG1 4.2Å; V39-V380 HydrophobicContact CG2-CG1 4.36Å; A42-V380 HydrophobicContact CB-CG2 4.29Å; L43-V380 HydrophobicContact CD1-CG2 4.22Å; L43-V380 HydrophobicContact CD2-CG2 3.46Å; L43-V380 VanDerWaalsContact CD2-CG2 3.46Å; L43-V380 HydrophobicContact CG-CG2 3.62Å; A311-V380 HydrophobicContact CB-CG2 4.32Å; V380-L384 HydrophobicContact CG1-CB 3.91Å; V380-L384 HydrophobicContact CG1-CD1 4.34Å; V380-I385 HydrophobicContact CB-CD1 4.27Å; V380-I385 HydrophobicContact CB-CG1 4.25Å; V380-I385 HydrophobicContact CG1-CD1 4.23Å; V380-I385 HydrophobicContact CG1-CG1 3.66Å
381S87.2Confident84.2Confident47 Ų4770.8 Ų70.833%0.32936%0.355SS..  trans-61.1148.8-178.583.50000111C379 Q383 L384 I385C379-S381 PolarHBondContact O-N 2.91Å; S381-Q383 PolarHBondContact O-N 3.12Å; S381-L384 PolarHBondContact O-N 2.9Å; S381-L384 VanDerWaalsContact O-N 3.13Å; S381-L384 WeakPolarHBondContact OG-CG 3.25Å; S381-L384 PolarHBondContact OG-N 3.06Å; S381-L384 VanDerWaalsContact OG-N 3.17Å; S381-I385 PolarHBondContact O-N 3.13Å
382K87.8Confident84.6Confident153 Ų15363.7 Ų63.767%0.66532%0.322SS*.Hα-helixtrans-56.4-37176.9-176.6178.8167.5-172.70111.5I385 E386K382-I385 PolarHBondContact O-N 3.37Å; K382-E386 WeakPolarHBondContact CE-OE1 3.23Å; K382-E386 IonicContact NZ-OE1 3.1Å; K382-E386 WeakPolarHBondContact O-CG 3.41Å; K382-E386 PolarHBondContact O-N 3.47Å
383Q91.4Very high85Confident145 Ų14561.8 Ų61.868%0.67832%0.318SS*.Hα-helixtrans-61.8-46.1177.1-69.5174.9-16.400111.8S381 I385 E386 T387S381-Q383 PolarHBondContact O-N 3.12Å; Q383-I385 VanDerWaalsContact C-N 3.34Å; Q383-I385 PolarHBondContact O-N 2.8Å; Q383-E386 PolarHBondContact O-N 3.31Å; Q383-T387 PolarHBondContact O-N 2.92Å; Q383-T387 PolarHBondContact O-OG1 2.68Å; Q383-T387 VanDerWaalsContact O-OG1 3.06Å
384L92.1Very high85.3Confident50 Ų5065.3 Ų65.326%0.26234%0.338SS..Hα-helixtrans-62.3-41.9178.5-72.9178.3000112.1P38 V39 V380 S381 E386 T387 L388P38-L384 HydrophobicContact CB-CD2 3.78Å; V39-L384 HydrophobicContact CG2-CB 4.01Å; V380-L384 HydrophobicContact CG1-CB 3.91Å; V380-L384 HydrophobicContact CG1-CD1 4.34Å; S381-L384 PolarHBondContact O-N 2.9Å; S381-L384 VanDerWaalsContact O-N 3.13Å; S381-L384 WeakPolarHBondContact OG-CG 3.25Å; S381-L384 PolarHBondContact OG-N 3.06Å; S381-L384 VanDerWaalsContact OG-N 3.17Å; L384-E386 VanDerWaalsContact C-N 3.33Å; L384-E386 PolarHBondContact O-N 3.43Å; L384-T387 PolarHBondContact O-N 3.04Å; L384-L388 WeakPolarHBondContact O-CB 3.21Å; L384-L388 PolarHBondContact O-N 3.08Å
385I90Very high85.7Confident22 Ų2263.2 Ų63.211%0.11333%0.326CS..Hα-helixtrans-64.1-39.5175.9-63.4175.4000110.9A311 V380 S381 K382 Q383 N389A311-I385 HydrophobicContact CB-CD1 4.37Å; A311-I385 HydrophobicContact CB-CG1 4.26Å; V380-I385 HydrophobicContact CB-CD1 4.27Å; V380-I385 HydrophobicContact CB-CG1 4.25Å; V380-I385 HydrophobicContact CG1-CD1 4.23Å; V380-I385 HydrophobicContact CG1-CG1 3.66Å; S381-I385 PolarHBondContact O-N 3.13Å; K382-I385 PolarHBondContact O-N 3.37Å; Q383-I385 VanDerWaalsContact C-N 3.34Å; Q383-I385 PolarHBondContact O-N 2.8Å; I385-N389 WeakPolarHBondContact CG2-ND2 3.39Å; I385-N389 VanDerWaalsContact O-CB 3.3Å; I385-N389 WeakPolarHBondContact O-CB 3.45Å; I385-N389 PolarHBondContact O-N 2.93Å; I385-N389 PolarHBondContact O-ND2 3.39Å
386E92.2Very high86.2Confident101 Ų10163.6 Ų63.647%0.47233%0.328SS..Hα-helixtrans-65.8-43.5176.5-76.5171.3178.500112K382 Q383 L384 L388 N389 N390K382-E386 WeakPolarHBondContact CE-OE1 3.23Å; K382-E386 IonicContact NZ-OE1 3.1Å; K382-E386 WeakPolarHBondContact O-CG 3.41Å; K382-E386 PolarHBondContact O-N 3.47Å; Q383-E386 PolarHBondContact O-N 3.31Å; L384-E386 VanDerWaalsContact C-N 3.33Å; L384-E386 PolarHBondContact O-N 3.43Å; E386-L388 PolarHBondContact O-N 3.06Å; E386-N389 PolarHBondContact O-N 3.32Å; E386-N390 WeakPolarHBondContact O-CB 3.42Å; E386-N390 PolarHBondContact O-N 3.42Å
387T93.5Very high86.8Confident53 Ų5365.9 Ų65.933%0.32534%0.336SS..Hα-helixtrans-59.4-46.7174.8-59.20000111.5K35 Q383 L384 N390 F391K35-T387 HydrophobicContact CB-CG2 3.87Å; K35-T387 HydrophobicContact CD-CG2 3.95Å; K35-T387 HydrophobicContact CG-CG2 3.68Å; Q383-T387 PolarHBondContact O-N 2.92Å; Q383-T387 PolarHBondContact O-OG1 2.68Å; Q383-T387 VanDerWaalsContact O-OG1 3.06Å; L384-T387 PolarHBondContact O-N 3.04Å; T387-N390 PolarHBondContact O-N 3.07Å; T387-F391 PolarHBondContact O-N 3.34Å
388L93.1Very high87.2Confident1 Ų162 Ų621%0.00532%0.32CS..Hα-helixtrans-64.4-41.2176.9-179.862.5000112.2V36 V39 A304 A307 Q308 L384 E386 N390 F391 I392V36-L388 HydrophobicContact CG2-CD1 4.08Å; V39-L388 HydrophobicContact CB-CD2 4.26Å; V39-L388 HydrophobicContact CG1-CD2 4.03Å; V39-L388 HydrophobicContact CG2-CB 4.29Å; V39-L388 HydrophobicContact CG2-CD2 4.1Å; A304-L388 HydrophobicContact CB-CD1 3.89Å; A307-L388 HydrophobicContact CB-CD2 4.12Å; Q308-L388 HydrophobicContact CB-CD2 3.85Å; Q308-L388 HydrophobicContact CB-CG 4.48Å; L384-L388 WeakPolarHBondContact O-CB 3.21Å; L384-L388 PolarHBondContact O-N 3.08Å; E386-L388 PolarHBondContact O-N 3.06Å; L388-N390 VanDerWaalsContact C-N 3.33Å; L388-N390 PolarHBondContact O-N 2.84Å; L388-F391 HydrophobicContact CD1-CD1 4.44Å; L388-F391 WeakPolarHBondContact O-CB 3.07Å; L388-F391 PolarHBondContact O-N 3.37Å; L388-I392 HydrophobicContact CD1-CD1 4.29Å; L388-I392 HydrophobicContact CG-CD1 4.18Å; L388-I392 WeakPolarHBondContact O-CG1 3.31Å; L388-I392 PolarHBondContact O-N 3.34Å
389N91.5Very high87.6Confident36 Ų3661.3 Ų61.319%0.19332%0.316CS..Hα-helixtrans-65.6-36.9176.5-73.4-30.7000112.2Q308 I385 E386 F391 K393Q308-N389 PolarHBondContact NE2-OD1 2.91Å; I385-N389 WeakPolarHBondContact CG2-ND2 3.39Å; I385-N389 VanDerWaalsContact O-CB 3.3Å; I385-N389 WeakPolarHBondContact O-CB 3.45Å; I385-N389 PolarHBondContact O-N 2.93Å; I385-N389 PolarHBondContact O-ND2 3.39Å; E386-N389 PolarHBondContact O-N 3.32Å; N389-F391 VanDerWaalsContact C-N 3.35Å; N389-K393 WeakPolarHBondContact O-CB 2.98Å; N389-K393 WeakPolarHBondContact O-CG 3.37Å; N389-K393 PolarHBondContact O-N 2.9Å; N389-K393 VanDerWaalsContact O-N 3.12Å
390N91.8Very high88.3Confident67 Ų6758 Ų5836%0.35830%0.297SS..Hα-helixtrans-65.4-41.9174.9-173.142000110.8E386 T387 L388 I392 K393 N394 D395E386-N390 WeakPolarHBondContact O-CB 3.42Å; E386-N390 PolarHBondContact O-N 3.42Å; T387-N390 PolarHBondContact O-N 3.07Å; L388-N390 VanDerWaalsContact C-N 3.33Å; L388-N390 PolarHBondContact O-N 2.84Å; N390-I392 PolarHBondContact O-N 3.3Å; N390-K393 PolarHBondContact O-N 3.34Å; N390-N394 WeakPolarHBondContact O-CB 3.44Å; N390-N394 PolarHBondContact O-N 3.22Å; N390-N394 PolarHBondContact OD1-ND2 3.29Å; N390-D395 PolarHBondContact O-N 3.24Å
391F91.7Very high88.4Confident0 Ų065.3 Ų65.30%033%0.327CS..Iπ-helixtrans-54.5-54.3173.3175.7-110.3000112.3Y31 K35 V36 V300 A304 T387 L388 N389 K393 D395 L396 L399Y31-F391 AromaticContact CD1-CD2 3.79Å; Y31-F391 HydrophobicContact CD1-CD2 3.79Å; Y31-F391 AromaticContact CD1-CE2 4Å; Y31-F391 HydrophobicContact CD1-CE2 4Å; Y31-F391 HydrophobicContact CG-CD2 4.18Å; Y31-F391 AromaticContact CG-CE2 3.91Å; Y31-F391 HydrophobicContact CG-CE2 3.91Å; K35-F391 HydrophobicContact CB-CB 3.97Å; K35-F391 HydrophobicContact CB-CD2 4.46Å; K35-F391 HydrophobicContact CB-CG 4.21Å; K35-F391 HydrophobicContact CD-CB 3.88Å; K35-F391 HydrophobicContact CD-CD2 4.23Å; K35-F391 HydrophobicContact CD-CG 4.42Å; V36-F391 HydrophobicContact CG2-CD1 3.82Å; V36-F391 HydrophobicContact CG2-CE1 3.7Å; V36-F391 HydrophobicContact CG2-CZ 4.4Å; V300-F391 HydrophobicContact CG1-CE1 4.1Å; V300-F391 HydrophobicContact CG1-CZ 3.74Å; A304-F391 HydrophobicContact CB-CD1 3.91Å; A304-F391 HydrophobicContact CB-CE1 3.7Å; T387-F391 PolarHBondContact O-N 3.34Å; L388-F391 HydrophobicContact CD1-CD1 4.44Å; L388-F391 WeakPolarHBondContact O-CB 3.07Å; L388-F391 PolarHBondContact O-N 3.37Å; N389-F391 VanDerWaalsContact C-N 3.35Å; F391-K393 VanDerWaalsContact C-N 3.31Å; F391-K393 PolarHBondContact O-N 3.05Å; F391-D395 WeakPolarHBondContact CA-OD2 3.12Å; F391-D395 HydrophobicContact CD2-CB 3.72Å; F391-D395 HydrophobicContact CE2-CB 4.33Å; F391-D395 PolarHBondContact O-N 2.8Å; F391-L396 HydrophobicContact CE1-CD2 3.72Å; F391-L396 HydrophobicContact CE1-CG 4.21Å; F391-L396 HydrophobicContact CE2-CD2 3.91Å; F391-L396 HydrophobicContact CE2-CG 4.48Å; F391-L396 HydrophobicContact CZ-CD2 3.36Å; F391-L396 HydrophobicContact CZ-CG 4.17Å; F391-L396 WeakPolarHBondContact O-CG 3.43Å; F391-L396 PolarHBondContact O-N 2.94Å; F391-L399 HydrophobicContact CE2-CD1 3.75Å; F391-L399 HydrophobicContact CZ-CD1 4.26Å
392I88.3Confident88.2Confident34 Ų3465.2 Ų65.217%0.17432%0.322CS..Iπ-helixtrans-63.2-36-177.5-66.1168.3000112.2A304 Q308 L388 N390 L396A304-I392 HydrophobicContact CB-CD1 4.35Å; A304-I392 HydrophobicContact CB-CG1 4.19Å; Q308-I392 HydrophobicContact CB-CD1 3.97Å; Q308-I392 HydrophobicContact CG-CD1 4.28Å; L388-I392 HydrophobicContact CD1-CD1 4.29Å; L388-I392 HydrophobicContact CG-CD1 4.18Å; L388-I392 WeakPolarHBondContact O-CG1 3.31Å; L388-I392 PolarHBondContact O-N 3.34Å; N390-I392 PolarHBondContact O-N 3.3Å; I392-L396 HydrophobicContact CB-CD1 4.48Å; I392-L396 HydrophobicContact CG2-CD1 4.45Å
393K87.6Confident87.8Confident144 Ų14459.5 Ų59.563%0.62630%0.299SS*.Iπ-helixtrans-85.5-41.7-174.7-72179179.6-178.60114N389 N390 F391 N397N389-K393 WeakPolarHBondContact O-CB 2.98Å; N389-K393 WeakPolarHBondContact O-CG 3.37Å; N389-K393 PolarHBondContact O-N 2.9Å; N389-K393 VanDerWaalsContact O-N 3.12Å; N390-K393 PolarHBondContact O-N 3.34Å; F391-K393 VanDerWaalsContact C-N 3.31Å; F391-K393 PolarHBondContact O-N 3.05Å; K393-N397 PolarHBondContact O-ND2 3.36Å; K393-N397 VanDerWaalsContact O-ND2 3.13Å
394N87.1Confident86.8Confident87 Ų8755 Ų5547%0.46528%0.283SS..Iπ-helixtrans-114-52.2-166.2-64-32.3000111.5N390 L396 N397N390-N394 WeakPolarHBondContact O-CB 3.44Å; N390-N394 PolarHBondContact O-N 3.22Å; N390-N394 PolarHBondContact OD1-ND2 3.29Å; N394-L396 PolarHBondContact O-N 3.43Å; N394-N397 PolarHBondContact O-N 3.22Å
395D87.5Confident85.2Confident11 Ų1157.6 Ų57.66%0.05931%0.311CS..Iπ-helixtrans-70.9-35.8-171.2-56.3-35.3000112.5Y31 K35 N390 F391 N397 Q398 L399Y31-D395 HydrophobicContact CD1-CB 4.05Å; Y31-D395 HydrophobicContact CE1-CB 3.48Å; Y31-D395 VanDerWaalsContact CE1-CB 3.48Å; Y31-D395 WeakPolarHBondContact CE1-OD2 3.44Å; K35-D395 WeakPolarHBondContact CD-OD2 3.37Å; K35-D395 WeakPolarHBondContact CE-OD2 3.48Å; K35-D395 IonicContact NZ-OD1 3.76Å; K35-D395 IonicContact NZ-OD2 2.68Å; K35-D395 PolarHBondContact NZ-OD2 3.45Å; N390-D395 PolarHBondContact O-N 3.24Å; F391-D395 WeakPolarHBondContact CA-OD2 3.12Å; F391-D395 HydrophobicContact CD2-CB 3.72Å; F391-D395 HydrophobicContact CE2-CB 4.33Å; F391-D395 PolarHBondContact O-N 2.8Å; D395-N397 PolarHBondContact O-N 2.63Å; D395-Q398 WeakPolarHBondContact O-CA 3.27Å; D395-Q398 WeakPolarHBondContact O-CB 3.45Å; D395-Q398 PolarHBondContact O-N 3.43Å; D395-L399 PolarHBondContact O-N 3.13Å
396L86.4Confident83.5Confident19 Ų1963 Ų6310%0.09934%0.336CS..Hα-helixtrans-56.7-38.6176.2-75.7-175.1000112.5F297 I301 F391 I392 N394 Q398 L399 A400F297-L396 HydrophobicContact CE2-CD2 4.05Å; F297-L396 HydrophobicContact CZ-CD2 4.18Å; I301-L396 HydrophobicContact CD1-CD1 4.45Å; I301-L396 HydrophobicContact CD1-CD2 4.22Å; I301-L396 HydrophobicContact CG1-CD1 3.91Å; I301-L396 HydrophobicContact CG1-CD2 3.57Å; I301-L396 HydrophobicContact CG1-CG 4.4Å; I301-L396 HydrophobicContact CG2-CD1 4.42Å; F391-L396 HydrophobicContact CE1-CD2 3.72Å; F391-L396 HydrophobicContact CE1-CG 4.21Å; F391-L396 HydrophobicContact CE2-CD2 3.91Å; F391-L396 HydrophobicContact CE2-CG 4.48Å; F391-L396 HydrophobicContact CZ-CD2 3.36Å; F391-L396 HydrophobicContact CZ-CG 4.17Å; F391-L396 WeakPolarHBondContact O-CG 3.43Å; F391-L396 PolarHBondContact O-N 2.94Å; I392-L396 HydrophobicContact CB-CD1 4.48Å; I392-L396 HydrophobicContact CG2-CD1 4.45Å; N394-L396 PolarHBondContact O-N 3.43Å; L396-Q398 VanDerWaalsContact C-N 3.29Å; L396-Q398 PolarHBondContact O-N 2.91Å; L396-L399 PolarHBondContact O-N 2.86Å; L396-A400 VanDerWaalsContact O-CB 3.28Å; L396-A400 WeakPolarHBondContact O-CB 3.41Å; L396-A400 PolarHBondContact O-N 2.95Å
397N84.1Confident81.2Confident107 Ų10761.8 Ų61.857%0.57233%0.332SS*.Hα-helixtrans-69.2-28.8177.5-70.3-39.2000112.3K393 N394 D395 K401K393-N397 PolarHBondContact O-ND2 3.36Å; K393-N397 VanDerWaalsContact O-ND2 3.13Å; N394-N397 PolarHBondContact O-N 3.22Å; D395-N397 PolarHBondContact O-N 2.63Å; N397-K401 WeakPolarHBondContact O-CG 3.35Å
398Q82.7Confident78.4Confident79 Ų7963.3 Ų63.337%0.36934%0.343SS..Hα-helixtrans-76.5-45.3174.7-62-177.22.400110.7D395 L396 A400 K401D395-Q398 WeakPolarHBondContact O-CA 3.27Å; D395-Q398 WeakPolarHBondContact O-CB 3.45Å; D395-Q398 PolarHBondContact O-N 3.43Å; L396-Q398 VanDerWaalsContact C-N 3.29Å; L396-Q398 PolarHBondContact O-N 2.91Å; Q398-A400 VanDerWaalsContact C-N 3.33Å; Q398-A400 PolarHBondContact O-N 3.06Å; Q398-K401 WeakPolarHBondContact O-CB 3.42Å; Q398-K401 PolarHBondContact O-N 2.82Å; Q398-K401 VanDerWaalsContact O-N 3.17Å
399L82Confident75.7Confident2 Ų273.3 Ų73.31%0.0139%0.386CS..Hα-helixtrans-60.1-41.5175.9-80.4178.8000112.7A27 Y31 F297 F391 D395 L396 K401 L402A27-L399 HydrophobicContact CB-CD2 3.42Å; A27-L399 VanDerWaalsContact CB-CD2 3.42Å; Y31-L399 HydrophobicContact CD2-CD1 3.56Å; Y31-L399 HydrophobicContact CD2-CD2 3.58Å; Y31-L399 HydrophobicContact CD2-CG 3.7Å; Y31-L399 HydrophobicContact CE2-CD1 4.05Å; Y31-L399 HydrophobicContact CE2-CD2 3.62Å; Y31-L399 HydrophobicContact CE2-CG 3.7Å; Y31-L399 HydrophobicContact CG-CD1 3.98Å; F297-L399 HydrophobicContact CD2-CB 4.39Å; F297-L399 HydrophobicContact CE2-CB 3.59Å; F297-L399 HydrophobicContact CE2-CD1 4.12Å; F297-L399 HydrophobicContact CZ-CB 4.33Å; F391-L399 HydrophobicContact CE2-CD1 3.75Å; F391-L399 HydrophobicContact CZ-CD1 4.26Å; D395-L399 PolarHBondContact O-N 3.13Å; L396-L399 PolarHBondContact O-N 2.86Å; L399-K401 PolarHBondContact O-N 2.68Å; L399-K401 VanDerWaalsContact O-N 3.13Å; L399-L402 HydrophobicContact CD2-CD1 4.18Å; L399-L402 WeakPolarHBondContact O-CB 3.3Å; L399-L402 PolarHBondContact O-N 2.83Å
400A84.3Confident72.8Confident42 Ų4279.5 Ų79.535%0.34741%0.414SS..G310 helixtrans-59.7-25.8178.800000112.8F297 L396 Q398 L402 L403F297-A400 HydrophobicContact CE1-CB 4.41Å; F297-A400 HydrophobicContact CZ-CB 4.1Å; L396-A400 VanDerWaalsContact O-CB 3.28Å; L396-A400 WeakPolarHBondContact O-CB 3.41Å; L396-A400 PolarHBondContact O-N 2.95Å; Q398-A400 VanDerWaalsContact C-N 3.33Å; Q398-A400 PolarHBondContact O-N 3.06Å; A400-L402 VanDerWaalsContact C-N 3.28Å; A400-L402 PolarHBondContact O-N 3.15Å; A400-L403 WeakPolarHBondContact O-CB 3.33Å; A400-L403 PolarHBondContact O-N 3.09Å
401K84.3Confident69.9Low172 Ų17283.8 Ų83.875%0.74844%0.437SS*.G310 helixtrans-73.5-19175.7-64.1172.6-176.7-177.80113.4N397 Q398 L399 L403N397-K401 WeakPolarHBondContact O-CG 3.35Å; Q398-K401 WeakPolarHBondContact O-CB 3.42Å; Q398-K401 PolarHBondContact O-N 2.82Å; Q398-K401 VanDerWaalsContact O-N 3.17Å; L399-K401 PolarHBondContact O-N 2.68Å; L399-K401 VanDerWaalsContact O-N 3.13Å; K401-L403 VanDerWaalsContact C-N 3.32Å
402L82.7Confident66.8Low44 Ų4492.2 Ų92.223%0.2347%0.47CS..G310 helixtrans-85.5-7.6176.8-58.2175.4000112.4P19 I24 A27 L399 A400P19-L402 WeakPolarHBondContact O-CD1 2.92Å; I24-L402 HydrophobicContact CB-CB 4.25Å; I24-L402 HydrophobicContact CD1-CB 4.01Å; A27-L402 HydrophobicContact CB-CD1 3.85Å; L399-L402 HydrophobicContact CD2-CD1 4.18Å; L399-L402 WeakPolarHBondContact O-CB 3.3Å; L399-L402 PolarHBondContact O-N 2.83Å; A400-L402 VanDerWaalsContact C-N 3.28Å; A400-L402 PolarHBondContact O-N 3.15Å
403L79.1Confident63.9Low34 Ų3493 Ų9318%0.17849%0.487CS..SBendtrans-66142.4174.9-68170.4000109.8I24 V294 F297 A400 K401 A405I24-L403 HydrophobicContact CD1-CD2 3.97Å; I24-L403 HydrophobicContact CD1-CG 4.32Å; I24-L403 HydrophobicContact CG1-CD2 3.95Å; V294-L403 HydrophobicContact CG2-CD2 4.24Å; F297-L403 HydrophobicContact CB-CD2 4.23Å; F297-L403 HydrophobicContact CD1-CD1 3.88Å; F297-L403 HydrophobicContact CD1-CD2 4.49Å; F297-L403 HydrophobicContact CE1-CD1 4.02Å; F297-L403 HydrophobicContact CG-CD1 4.45Å; F297-L403 HydrophobicContact CG-CD2 4.33Å; A400-L403 WeakPolarHBondContact O-CB 3.33Å; A400-L403 PolarHBondContact O-N 3.09Å; K401-L403 VanDerWaalsContact C-N 3.32Å; L403-A405 PolarHBondContact O-N 2.98Å
404P70.5Confident61Low51 Ų5189.8 Ų89.833%0.33149%0.487SS..  trans-51.1130.6178-25.933.4000112.1E406P404-E406 PolarHBondContact O-N 3.34Å
405A59.9Low58Low103 Ų10394.7 Ų94.785%0.85151%0.507SS*.SBendtrans-70.7-16.2-177.600000113.6L403 L407L403-A405 PolarHBondContact O-N 2.98Å; A405-L407 PolarHBondContact O-N 3.01Å
406E52.3Low55.1Low135 Ų13599.3 Ų99.363%0.63153%0.53SS*.  trans-73.531.2-178.1-65.6178.7171.300113.8P404 P408P404-E406 PolarHBondContact O-N 3.34Å; E406-P408 WeakPolarHBondContact O-CD 3.41Å
407L44.9Very low52.4Low77 Ų77101.4 Ų101.440%0.40354%0.541SS..  trans-103.5102.9172-71.6164.1000108.6V294 A405 K409V294-L407 HydrophobicContact CG2-CD1 3.74Å; A405-L407 PolarHBondContact O-N 3.01Å; L407-K409 PolarHBondContact O-N 3.14Å
408P35.8Very low49.9Very low85 Ų85104.3 Ų104.355%0.55255%0.551SS**  trans-62120.2170.9-15.629.3000108.5E406 E410E406-P408 WeakPolarHBondContact O-CD 3.41Å; P408-E410 PolarHBondContact O-N 2.8Å
409K34.9Very low47.3Very low210 Ų210106.2 Ų106.291%0.91356%0.56SS**SBendtrans-68.91.9-177-69.8-178.4176.9176.10113.9L407L407-K409 PolarHBondContact O-N 3.14Å
410E32.1Very low44.6Very low167 Ų167108.6 Ų108.678%0.7858%0.575SS**SBendtrans-149.5117.4178.7-62-179.8175.300107.7P408P408-E410 PolarHBondContact O-N 2.8Å
411N29.1Very low41.8Very low156 Ų156111.5 Ų111.583%0.83458%0.581SS**SBendtrans43.2105.2166.9-67.1-29.5000118.6G413N411-G413 PolarHBondContact O-N 3.08Å
412Y28.3Very low39Very low177 Ų177108.9 Ų108.969%0.69457%0.572SS**  trans1.7112.3154.6-66.6-65.7000117.1R287R287-Y412 VanDerWaalsContact NH1-CE1 3.25Å
413G27.1Very low36.3Very low51 Ų51113.6 Ų113.653%0.52659%0.593SS.*  trans-164.9112.7173.600000111.6N411N411-G413 PolarHBondContact O-N 3.08Å
414A25.1Very low33.8Very low77 Ų77120 Ų12064%0.63662%0.622SS**SBendtrans42.9131.2153.500000120.6
415E25.4Very low31.8Very low189 Ų189124.4 Ų124.488%0.88364%0.641SS**  trans97.488166.1-56.3175.7-168.400114.1
416M25.7Very low30.2Very low109 Ų109125 Ų12554%0.53762%0.624SS.*  trans167.881.4141.4-90.2-65.5-65.700107.9
417L29.2Very low29.2Very low63 Ų63126 Ų12633%0.3363%0.627SS.*  trans-14288.2171.5-141.7-174.2000106.5E283 N286 Q419E283-L417 VanDerWaalsContact CA-CD1 3.48Å; E283-L417 HydrophobicContact CB-CD1 4.15Å; E283-L417 HydrophobicContact CG-CD1 4.25Å; N286-L417 HydrophobicContact CB-CD1 3.83Å; N286-L417 HydrophobicContact CB-CD2 3.22Å; N286-L417 HydrophobicContact CB-CG 3.27Å; N286-L417 WeakPolarHBondContact ND2-CD2 3.46Å; L417-Q419 PolarHBondContact O-N 3.03Å; L417-Q419 VanDerWaalsContact O-N 3.09Å
418H32.4Very low28.7Very low168 Ų168127 Ų12778%0.77863%0.629SS**  trans-61.4113.9157.7-82.360.5000106.1
419Q27.6Very low29.2Very low119 Ų119123.8 Ų123.856%0.55661%0.609SS**  trans-47.3144.8-169.9-64.9169.3-17.800111.7L417 Q421L417-Q419 PolarHBondContact O-N 3.03Å; L417-Q419 VanDerWaalsContact O-N 3.09Å; Q419-Q421 PolarHBondContact O-N 3.19Å
420P25.7Very low30.5Very low51 Ų51117.2 Ų117.233%0.33158%0.583SS.*SBendtrans-56136.315228.5-29.3000105.7L282 Q422L282-P420 HydrophobicContact CD1-CG 4.1Å; L282-P420 HydrophobicContact CD2-CG 4.45Å; P420-Q422 PolarHBondContact O-N 3.48Å
421Q26Very low32.7Very low104 Ų104109.6 Ų109.649%0.48655%0.548SS..  trans-23104.7-179.9-71.3172.2-27.800112.6Q419 E423Q419-Q421 PolarHBondContact O-N 3.19Å; Q421-E423 PolarHBondContact O-N 3.06Å
422Q25.1Very low35Very low116 Ų116107.1 Ų107.154%0.54253%0.534SS..  trans-69.670.2147.1-81.4-169.42.400107.1P420 Q424P420-Q422 PolarHBondContact O-N 3.48Å; Q422-Q424 PolarHBondContact O-N 2.89Å
423E26.7Very low37.5Very low144 Ų144100.4 Ų100.467%0.67351%0.512SS*.SBendtrans-85.585.2144.7-75.6-160.7152.700107.3Q421Q421-E423 PolarHBondContact O-N 3.06Å
424Q25.8Very low40.2Very low168 Ų16898 Ų9879%0.78549%0.487SS*.SBendtrans6848.4155.3-53.8-167.99.300120Q422Q422-Q424 PolarHBondContact O-N 2.89Å
425I28.4Very low43Very low144 Ų144100 Ų10074%0.73848%0.481SS*.SBendtrans-12791.3152.5-52.8-179.1000109.1
426K27.3Very low45.8Very low115 Ų11595.6 Ų95.650%0.546%0.46SS..  trans93.464.4-169.3-58.7177.8-178.8170.20115.9Q428K426-Q428 HydrophobicContact CB-CB 4.21Å; K426-Q428 HydrophobicContact CB-CG 4.34Å; K426-Q428 HydrophobicContact CD-CG 4.2Å; K426-Q428 HydrophobicContact CG-CG 4.14Å; K426-Q428 PolarHBondContact O-N 3.19Å
427K30.2Very low48.6Very low156 Ų15691.1 Ų91.168%0.67844%0.441SS*.  -62.678.7112.5-88.2-179.5179.1173.70104.4S429 V433K427-S429 PolarHBondContact O-N 3.47Å; K427-S429 PolarHBondContact O-OG 2.95Å; K427-S429 VanDerWaalsContact O-OG 3.08Å; K427-V433 HydrophobicContact CD-CG1 4.12Å; K427-V433 HydrophobicContact CD-CG2 4.25Å; K427-V433 HydrophobicContact CG-CG2 4.44Å
428Q34.6Very low51.4Low97 Ų9788.3 Ų88.345%0.45343%0.427SS..  trans-58.1102.5153.4-117.9169.8-6.600100.4K426 N430 L519K426-Q428 HydrophobicContact CB-CB 4.21Å; K426-Q428 HydrophobicContact CB-CG 4.34Å; K426-Q428 HydrophobicContact CD-CG 4.2Å; K426-Q428 HydrophobicContact CG-CG 4.14Å; K426-Q428 PolarHBondContact O-N 3.19Å; Q428-N430 PolarHBondContact O-N 3.28Å; Q428-L519 HydrophobicContact CB-CB 4.38Å; Q428-L519 HydrophobicContact CB-CD1 3.66Å; Q428-L519 HydrophobicContact CG-CD1 3.4Å
429S46Very low53.9Low18 Ų1887.8 Ų87.813%0.12642%0.422CS..  trans-65.690.6-159.3-42.10000105.3K427 W501 L519 L520K427-S429 PolarHBondContact O-N 3.47Å; K427-S429 PolarHBondContact O-OG 2.95Å; K427-S429 VanDerWaalsContact O-OG 3.08Å; S429-W501 VanDerWaalsContact CB-CH2 3.45Å; S429-W501 WeakPolarHBondContact OG-CH2 3.42Å; S429-W501 WeakPolarHBondContact OG-CZ2 3.33Å; S429-L519 CarbonylContact O-C 3.37Å; S429-L520 VanDerWaalsContact CB-CG 3.42Å; S429-L520 WeakPolarHBondContact O-CA 3.41Å; S429-L520 VanDerWaalsContact O-CD2 3.25Å; S429-L520 WeakPolarHBondContact O-CD2 3.45Å; S429-L520 WeakPolarHBondContact O-CG 3.47Å; S429-L520 PolarHBondContact O-N 2.79Å; S429-L520 VanDerWaalsContact O-N 3.12Å
430N61.9Low56.6Low72 Ų7287.7 Ų87.739%0.38542%0.422SS..  trans-67.7141.5-179.8-172.3-17.5000103.6Q428 N432 V433 L519Q428-N430 PolarHBondContact O-N 3.28Å; N430-N432 PolarHBondContact O-N 3.45Å; N430-V433 WeakPolarHBondContact O-CB 3.43Å; N430-V433 PolarHBondContact O-N 2.84Å; N430-L519 CarbonylContact C-O 3.07Å; N430-L519 VanDerWaalsContact CA-O 3.28Å; N430-L519 WeakPolarHBondContact CA-O 3.3Å
431W78.2Confident59.5Low8 Ų887.9 Ų87.93%0.0342%0.42CS..Hα-helixtrans-42.9-32173.7-179.3-108000113.5V433 V434 K435 Y494 Y497 L498 L519 P522 P523W431-V433 VanDerWaalsContact C-N 3.3Å; W431-V433 PolarHBondContact O-N 2.94Å; W431-V434 HydrophobicContact CE3-CB 4.03Å; W431-V434 HydrophobicContact CE3-CG1 4.18Å; W431-V434 HydrophobicContact CE3-CG2 4.27Å; W431-V434 HydrophobicContact CH2-CG1 3.93Å; W431-V434 HydrophobicContact CZ3-CB 4.03Å; W431-V434 HydrophobicContact CZ3-CG1 3.66Å; W431-V434 HydrophobicContact CZ3-CG2 4.41Å; W431-V434 WeakPolarHBondContact O-CB 3.47Å; W431-V434 PolarHBondContact O-N 3.32Å; W431-V434 VanDerWaalsContact O-N 3.1Å; W431-K435 PolarHBondContact O-N 3.44Å; W431-Y494 HydrophobicContact CH2-CD1 4.31Å; W431-Y494 HydrophobicContact CH2-CG 4.41Å; W431-Y494 VanDerWaalsContact CH2-O 3.23Å; W431-Y494 WeakPolarHBondContact CH2-O 3.47Å; W431-Y494 AromaticContact CZ2-CD1 3.51Å; W431-Y494 HydrophobicContact CZ2-CD1 3.51Å; W431-Y494 HydrophobicContact CZ2-CE1 4.49Å; W431-Y494 AromaticContact CZ2-CG 3.88Å; W431-Y494 HydrophobicContact CZ2-CG 3.88Å; W431-Y497 HydrophobicContact CZ2-CD2 4.39Å; W431-L498 HydrophobicContact CZ3-CB 4.24Å; W431-L519 PolarHBondContact N-O 2.96Å; W431-P522 HydrophobicContact CD2-CB 4.18Å; W431-P522 HydrophobicContact CE3-CB 4.1Å; W431-P522 HydrophobicContact CE3-CG 3.93Å; W431-P522 HydrophobicContact CH2-CB 4.06Å; W431-P522 HydrophobicContact CH2-CG 3.8Å; W431-P522 HydrophobicContact CZ2-CB 4.08Å; W431-P522 HydrophobicContact CZ2-CG 4.33Å; W431-P522 HydrophobicContact CZ3-CB 4.05Å; W431-P522 HydrophobicContact CZ3-CG 3.55Å; W431-P523 VanDerWaalsContact CG-CD 3.43Å; W431-P523 HydrophobicContact CG-CG 4.24Å
432N79.1Confident62.5Low103 Ų10388.4 Ų88.455%0.55142%0.422SS*.Hα-helixtrans-56.8-36.3173.4-69.7-17.8000114.3N430 K435 Q436N430-N432 PolarHBondContact O-N 3.45Å; N432-K435 PolarHBondContact O-N 3.41Å; N432-Q436 WeakPolarHBondContact O-CB 3.48Å; N432-Q436 PolarHBondContact O-N 3.37Å
433V81.2Confident65.5Low37 Ų3783.1 Ų83.122%0.22440%0.397CS..Hα-helixtrans-67-42174.8-178.30000110.6K427 N430 W431 K435 Q436 A437K427-V433 HydrophobicContact CD-CG1 4.12Å; K427-V433 HydrophobicContact CD-CG2 4.25Å; K427-V433 HydrophobicContact CG-CG2 4.44Å; N430-V433 WeakPolarHBondContact O-CB 3.43Å; N430-V433 PolarHBondContact O-N 2.84Å; W431-V433 VanDerWaalsContact C-N 3.3Å; W431-V433 PolarHBondContact O-N 2.94Å; V433-K435 VanDerWaalsContact C-N 3.34Å; V433-Q436 PolarHBondContact O-N 3.44Å; V433-A437 WeakPolarHBondContact O-CB 3.17Å; V433-A437 PolarHBondContact O-N 2.82Å
434V83.2Confident68.5Low0 Ų080.2 Ų80.20%038%0.384CS..Hα-helixtrans-62.5-44.5175.6-179.10000109.8W431 A437 A438 W443 L498 W501 L520W431-V434 HydrophobicContact CE3-CB 4.03Å; W431-V434 HydrophobicContact CE3-CG1 4.18Å; W431-V434 HydrophobicContact CE3-CG2 4.27Å; W431-V434 HydrophobicContact CH2-CG1 3.93Å; W431-V434 HydrophobicContact CZ3-CB 4.03Å; W431-V434 HydrophobicContact CZ3-CG1 3.66Å; W431-V434 HydrophobicContact CZ3-CG2 4.41Å; W431-V434 WeakPolarHBondContact O-CB 3.47Å; W431-V434 PolarHBondContact O-N 3.32Å; W431-V434 VanDerWaalsContact O-N 3.1Å; V434-A437 PolarHBondContact O-N 3.33Å; V434-A438 WeakPolarHBondContact O-CB 3.27Å; V434-A438 PolarHBondContact O-N 3.37Å; V434-W443 HydrophobicContact CG1-CZ3 4.33Å; V434-L498 HydrophobicContact CG2-CD1 4.48Å; V434-W501 HydrophobicContact CB-CG 4.4Å; V434-W501 HydrophobicContact CG1-CB 4.02Å; V434-W501 HydrophobicContact CG1-CG 4.37Å; V434-W501 HydrophobicContact CG2-CB 4.22Å; V434-W501 HydrophobicContact CG2-CD2 3.93Å; V434-W501 HydrophobicContact CG2-CE3 4.49Å; V434-W501 HydrophobicContact CG2-CG 3.75Å; V434-L520 HydrophobicContact CG2-CD2 3.63Å
435K84Confident71.4Confident118 Ų11878.3 Ų78.351%0.51338%0.375SS..Hα-helixtrans-65.1-40.4178.6-166.5178-178.3-179.70112.7W431 N432 V433 A438 K439W431-K435 PolarHBondContact O-N 3.44Å; N432-K435 PolarHBondContact O-N 3.41Å; V433-K435 VanDerWaalsContact C-N 3.34Å; K435-A438 WeakPolarHBondContact O-CB 3.33Å; K435-A438 PolarHBondContact O-N 2.96Å; K435-K439 PolarHBondContact O-N 3.04Å
436Q83.3Confident74.2Confident97 Ų9775.8 Ų75.845%0.45336%0.358SS..Hα-helixtrans-66.6-46.5176.4-176.162.916.800111N432 V433 A438 K439 E440N432-Q436 WeakPolarHBondContact O-CB 3.48Å; N432-Q436 PolarHBondContact O-N 3.37Å; V433-Q436 PolarHBondContact O-N 3.44Å; Q436-A438 VanDerWaalsContact C-N 3.26Å; Q436-A438 PolarHBondContact O-N 3.18Å; Q436-K439 WeakPolarHBondContact O-CB 3.46Å; Q436-K439 PolarHBondContact O-N 3.38Å; Q436-K439 VanDerWaalsContact O-N 3.1Å; Q436-E440 WeakPolarHBondContact CG-OE1 3.49Å; Q436-E440 PolarHBondContact NE2-OE1 3.1Å; Q436-E440 WeakPolarHBondContact O-CG 3.23Å; Q436-E440 PolarHBondContact O-N 3.31Å
437A85.6Confident77.2Confident16 Ų1670.6 Ų70.613%0.13234%0.336CS..Hα-helixtrans-60.4-36.8174.400000112V433 V434 K439 E440 N441 W443V433-A437 WeakPolarHBondContact O-CB 3.17Å; V433-A437 PolarHBondContact O-N 2.82Å; V434-A437 PolarHBondContact O-N 3.33Å; A437-K439 VanDerWaalsContact C-N 3.35Å; A437-E440 PolarHBondContact O-N 3.19Å; A437-N441 WeakPolarHBondContact O-CB 3.49Å; A437-N441 PolarHBondContact O-N 2.79Å; A437-N441 PolarHBondContact O-ND2 3.37Å; A437-W443 HydrophobicContact CB-CH2 3.76Å; A437-W443 HydrophobicContact CB-CZ2 4.33Å; A437-W443 HydrophobicContact CB-CZ3 4.21Å
438A87.5Confident79.9Confident3 Ų367.5 Ų67.53%0.02533%0.326CS..Hα-helixtrans-62.3-40.2174.700000112.7V434 K435 Q436 H442 W443 Y497V434-A438 WeakPolarHBondContact O-CB 3.27Å; V434-A438 PolarHBondContact O-N 3.37Å; K435-A438 WeakPolarHBondContact O-CB 3.33Å; K435-A438 PolarHBondContact O-N 2.96Å; Q436-A438 VanDerWaalsContact C-N 3.26Å; Q436-A438 PolarHBondContact O-N 3.18Å; A438-H442 PolarHBondContact O-N 3.06Å; A438-H442 VanDerWaalsContact O-N 3.12Å; A438-W443 HydrophobicContact CB-CB 4.08Å; A438-W443 HydrophobicContact CB-CD2 4.03Å; A438-W443 HydrophobicContact CB-CE3 3.39Å; A438-W443 HydrophobicContact CB-CG 4.35Å; A438-W443 HydrophobicContact CB-CZ3 4.04Å; A438-W443 PolarHBondContact O-N 3.12Å; A438-Y497 HydrophobicContact CB-CD1 3.86Å; A438-Y497 HydrophobicContact CB-CD2 3.6Å; A438-Y497 HydrophobicContact CB-CE1 4.01Å; A438-Y497 HydrophobicContact CB-CE2 3.75Å; A438-Y497 HydrophobicContact CB-CG 3.66Å
439K84.1Confident82.4Confident157 Ų15766.9 Ų66.968%0.68333%0.332SS*.Hα-helixtrans-67.7-48.9176.6-170.6-179.1179.2-175.10111.5K435 Q436 A437 N441 H442K435-K439 PolarHBondContact O-N 3.04Å; Q436-K439 WeakPolarHBondContact O-CB 3.46Å; Q436-K439 PolarHBondContact O-N 3.38Å; Q436-K439 VanDerWaalsContact O-N 3.1Å; A437-K439 VanDerWaalsContact C-N 3.35Å; K439-N441 PolarHBondContact O-N 2.92Å; K439-H442 PolarHBondContact O-N 3.41Å
440E85Confident84.4Confident117 Ų11767.8 Ų67.855%0.54734%0.336SS..Hα-helixtrans-63.3-27.6-179.2-73.5168.4-171.100113.2Q436 A437Q436-E440 WeakPolarHBondContact CG-OE1 3.49Å; Q436-E440 PolarHBondContact NE2-OE1 3.1Å; Q436-E440 WeakPolarHBondContact O-CG 3.23Å; Q436-E440 PolarHBondContact O-N 3.31Å; A437-E440 PolarHBondContact O-N 3.19Å
441N87.2Confident85.5Confident56 Ų5672.4 Ų72.430%0.29935%0.353SS..THydrogen-bonded Turntrans-114.116.3-175.1-62.1-91.7000112.9A437 K439 W443 R504A437-N441 WeakPolarHBondContact O-CB 3.49Å; A437-N441 PolarHBondContact O-N 2.79Å; A437-N441 PolarHBondContact O-ND2 3.37Å; K439-N441 PolarHBondContact O-N 2.92Å; N441-W443 VanDerWaalsContact O-CD1 3.32Å; N441-W443 PolarHBondContact O-N 3.01Å; N441-W443 VanDerWaalsContact O-N 3.09Å; N441-R504 VanDerWaalsContact CG-CZ 3.45Å; N441-R504 PolarHBondContact ND2-NH1 3.32Å; N441-R504 VanDerWaalsContact OD1-CZ 3.24Å; N441-R504 PolarHBondContact OD1-NH1 2.92Å; N441-R504 PolarHBondContact OD1-NH2 3.5Å
442H87.4Confident85.8Confident114 Ų11473.5 Ų73.553%0.52836%0.36SS..THydrogen-bonded Turntrans50.338.1175.2-52-64.4000113.4A438 K439 H444 Q445 K446A438-H442 PolarHBondContact O-N 3.06Å; A438-H442 VanDerWaalsContact O-N 3.12Å; K439-H442 PolarHBondContact O-N 3.41Å; H442-H444 PolarHBondContact O-N 3.21Å; H442-Q445 HydrophobicContact CB-CB 4.49Å; H442-Q445 PolarHBondContact O-N 3.25Å; H442-K446 PolarHBondContact O-N 3.32Å; H442-K446 VanDerWaalsContact O-N 3.15Å
443W89.9Confident85.9Confident5 Ų575.9 Ų75.92%0.01937%0.366CS..Hα-helixtrans-63.6-27.6-177.7-68.4-9.7000112.6V434 A437 A438 N441 K446 F447 F496 Y497 N500 W501V434-W443 HydrophobicContact CG1-CZ3 4.33Å; A437-W443 HydrophobicContact CB-CH2 3.76Å; A437-W443 HydrophobicContact CB-CZ2 4.33Å; A437-W443 HydrophobicContact CB-CZ3 4.21Å; A438-W443 HydrophobicContact CB-CB 4.08Å; A438-W443 HydrophobicContact CB-CD2 4.03Å; A438-W443 HydrophobicContact CB-CE3 3.39Å; A438-W443 HydrophobicContact CB-CG 4.35Å; A438-W443 HydrophobicContact CB-CZ3 4.04Å; A438-W443 PolarHBondContact O-N 3.12Å; N441-W443 VanDerWaalsContact O-CD1 3.32Å; N441-W443 PolarHBondContact O-N 3.01Å; N441-W443 VanDerWaalsContact O-N 3.09Å; W443-K446 PolarHBondContact O-N 2.82Å; W443-F447 WeakPolarHBondContact O-CB 3.5Å; W443-F447 PolarHBondContact O-N 3.23Å; W443-F496 HydrophobicContact CB-CE1 4.28Å; W443-F496 WeakPolarHBondContact O-CE1 3.34Å; W443-Y497 HydrophobicContact CB-CD1 3.67Å; W443-Y497 HydrophobicContact CB-CE1 3.63Å; W443-Y497 AromaticContact CE3-CD1 3.95Å; W443-Y497 HydrophobicContact CE3-CD1 3.95Å; W443-Y497 HydrophobicContact CE3-CG 4.07Å; W443-Y497 WeakPolarHBondContact CZ3-O 3.31Å; W443-N500 HydrophobicContact CD2-CB 3.73Å; W443-N500 HydrophobicContact CE3-CB 3.95Å; W443-N500 HydrophobicContact CG-CB 4.42Å; W443-N500 HydrophobicContact CH2-CB 3.98Å; W443-N500 HydrophobicContact CZ2-CB 3.73Å; W443-N500 HydrophobicContact CZ3-CB 4.08Å; W443-W501 HydrophobicContact CH2-CB 3.81Å; W443-W501 HydrophobicContact CZ3-CB 4.01Å
444H88.2Confident85.9Confident83 Ų8384 Ų8438%0.38440%0.398SS..Hα-helixtrans-55.8-50.2170.8-177.565.6000111.7H442 K446 F447 L448 E493 Y497H442-H444 PolarHBondContact O-N 3.21Å; H444-K446 VanDerWaalsContact C-N 3.31Å; H444-K446 PolarHBondContact O-N 3.19Å; H444-F447 WeakPolarHBondContact O-CB 3.4Å; H444-F447 PolarHBondContact O-N 2.52Å; H444-L448 WeakPolarHBondContact NE2-CD1 3.27Å; H444-L448 WeakPolarHBondContact O-CG 3.43Å; H444-L448 PolarHBondContact O-N 3.25Å; H444-E493 IonicContact CE1-OE1 2.99Å; H444-E493 IonicContact CG-OE1 2.82Å; H444-E493 IonicContact ND1-OE1 3.43Å; H444-E493 PolarHBondContact ND1-OE1 3.01Å; H444-E493 IonicContact ND1-OE2 2.65Å; H444-Y497 WeakPolarHBondContact CA-OH 3.33Å; H444-Y497 WeakPolarHBondContact CB-OH 3.27Å
445Q87.5Confident85.8Confident128 Ų12885.8 Ų85.860%0.59842%0.417SS*.Hα-helixtrans-65.2-38.4179-65.8175.4-11.100111.2H442 F447 L448 S449H442-Q445 HydrophobicContact CB-CB 4.49Å; H442-Q445 PolarHBondContact O-N 3.25Å; Q445-F447 VanDerWaalsContact C-N 3.34Å; Q445-L448 PolarHBondContact O-N 3.08Å; Q445-S449 PolarHBondContact O-N 3.38Å
446K88Confident85.9Confident91 Ų9182.3 Ų82.340%0.39640%0.404SS..Hα-helixtrans-66-35175.6-157.9179.2-167.1-168.70112.6H442 W443 H444 S449 L450 L465 F496H442-K446 PolarHBondContact O-N 3.32Å; H442-K446 VanDerWaalsContact O-N 3.15Å; W443-K446 PolarHBondContact O-N 2.82Å; H444-K446 VanDerWaalsContact C-N 3.31Å; H444-K446 PolarHBondContact O-N 3.19Å; K446-S449 PolarHBondContact O-OG 3.34Å; K446-L450 WeakPolarHBondContact O-CG 3.34Å; K446-L465 HydrophobicContact CD-CD1 3.84Å; K446-L465 HydrophobicContact CG-CD1 4.1Å; K446-F496 HydrophobicContact CB-CE1 4.35Å; K446-F496 HydrophobicContact CB-CZ 4.34Å; K446-F496 HydrophobicContact CD-CZ 4.4Å; K446-F496 HydrophobicContact CG-CZ 4.26Å
447F89.2Confident86Confident6 Ų677.7 Ų77.73%0.02638%0.382CS..Hα-helixtrans-65.8-45.9174.3178.7-101.4000110.8W443 H444 Q445 S449 L450 P452 G455 L457 E493 F496W443-F447 WeakPolarHBondContact O-CB 3.5Å; W443-F447 PolarHBondContact O-N 3.23Å; H444-F447 WeakPolarHBondContact O-CB 3.4Å; H444-F447 PolarHBondContact O-N 2.52Å; Q445-F447 VanDerWaalsContact C-N 3.34Å; F447-S449 PolarHBondContact O-N 2.79Å; F447-L450 PolarHBondContact O-N 2.91Å; F447-P452 HydrophobicContact CD1-CG 4.11Å; F447-P452 HydrophobicContact CE1-CB 3.9Å; F447-P452 HydrophobicContact CE1-CG 3.65Å; F447-P452 HydrophobicContact CE2-CB 4.44Å; F447-P452 HydrophobicContact CZ-CB 3.76Å; F447-P452 HydrophobicContact CZ-CG 4.06Å; F447-P452 WeakPolarHBondContact O-CD 3.46Å; F447-G455 WeakPolarHBondContact CZ-O 3.41Å; F447-L457 HydrophobicContact CD2-CD1 3.38Å; F447-L457 HydrophobicContact CD2-CG 4.08Å; F447-L457 HydrophobicContact CE2-CD1 3.45Å; F447-L457 VanDerWaalsContact CE2-CD1 3.45Å; F447-L457 HydrophobicContact CE2-CG 3.65Å; F447-L457 HydrophobicContact CG-CD1 4.4Å; F447-L457 HydrophobicContact CZ-CG 4.34Å; F447-E493 HydrophobicContact CD1-CB 4.02Å; F447-E493 HydrophobicContact CD1-CG 3.87Å; F447-E493 HydrophobicContact CD2-CB 4.5Å; F447-E493 HydrophobicContact CE1-CB 3.79Å; F447-E493 HydrophobicContact CE1-CG 4.16Å; F447-E493 HydrophobicContact CE2-CB 4.29Å; F447-E493 HydrophobicContact CG-CB 4.37Å; F447-E493 HydrophobicContact CG-CG 4.1Å; F447-E493 HydrophobicContact CZ-CB 3.93Å; F447-F496 HydrophobicContact CB-CD1 3.78Å; F447-F496 HydrophobicContact CB-CE1 3.87Å; F447-F496 HydrophobicContact CB-CG 4.38Å; F447-F496 HydrophobicContact CD2-CB 3.63Å; F447-F496 AromaticContact CD2-CD1 3.87Å; F447-F496 HydrophobicContact CD2-CD1 3.87Å; F447-F496 HydrophobicContact CD2-CD2 4.1Å; F447-F496 AromaticContact CD2-CG 3.61Å; F447-F496 HydrophobicContact CD2-CG 3.61Å; F447-F496 HydrophobicContact CE2-CB 4.04Å; F447-F496 HydrophobicContact CE2-CG 4.43Å; F447-F496 HydrophobicContact CG-CD1 4.28Å; F447-F496 HydrophobicContact CG-CG 4.46Å
448L87.2Confident86.1Confident92 Ų9279.1 Ų79.148%0.48239%0.392SS..Hα-helixtrans-65.5-37.3178.4-66.8178.1000112.9H444 Q445 L450 K451H444-L448 WeakPolarHBondContact NE2-CD1 3.27Å; H444-L448 WeakPolarHBondContact O-CG 3.43Å; H444-L448 PolarHBondContact O-N 3.25Å; Q445-L448 PolarHBondContact O-N 3.08Å; L448-L450 PolarHBondContact O-N 3.26Å; L448-K451 PolarHBondContact O-N 2.88Å
449S87.7Confident86Confident83 Ų8382.3 Ų82.358%0.5840%0.403SS*.Hα-helixtrans-65.4-23.4-179.771.90000113.6Q445 K446 F447 K451Q445-S449 PolarHBondContact O-N 3.38Å; K446-S449 PolarHBondContact O-OG 3.34Å; F447-S449 PolarHBondContact O-N 2.79Å; S449-K451 PolarHBondContact O-N 3.37Å
450L87Confident86.1Confident38 Ų3877.3 Ų77.320%0.19940%0.396CS..THydrogen-bonded Turntrans-78.32.6174.4-63.2172000113.7K446 F447 L448 L457 Q461 M462 L465 F496K446-L450 WeakPolarHBondContact O-CG 3.34Å; F447-L450 PolarHBondContact O-N 2.91Å; L448-L450 PolarHBondContact O-N 3.26Å; L450-L457 HydrophobicContact CB-CD1 4.13Å; L450-L457 HydrophobicContact CB-CD2 3.59Å; L450-L457 HydrophobicContact CD1-CD1 3.74Å; L450-Q461 PolarHBondContact O-NE2 3.43Å; L450-M462 HydrophobicContact CD1-CG 4.29Å; L450-L465 HydrophobicContact CD1-CD1 3.85Å; L450-F496 HydrophobicContact CD1-CE2 3.67Å; L450-F496 HydrophobicContact CD1-CZ 4.06Å
451K84.5Confident86.1Confident169 Ų16974.1 Ų74.174%0.73538%0.381SS*.  trans54.564177.3-59.5-177.9179.9179.70112.5L448 S449 K453 Q461L448-K451 PolarHBondContact O-N 2.88Å; S449-K451 PolarHBondContact O-N 3.37Å; K451-K453 PolarHBondContact O-N 3.37Å; K451-Q461 PolarHBondContact O-NE2 3.22Å
452P85.6Confident86.1Confident30 Ų3071.4 Ų71.420%0.19537%0.367CS..  trans-61.3129.5-178.925.8-33.6000111.3F447 K454 L456 L457F447-P452 HydrophobicContact CD1-CG 4.11Å; F447-P452 HydrophobicContact CE1-CB 3.9Å; F447-P452 HydrophobicContact CE1-CG 3.65Å; F447-P452 HydrophobicContact CE2-CB 4.44Å; F447-P452 HydrophobicContact CZ-CB 3.76Å; F447-P452 HydrophobicContact CZ-CG 4.06Å; F447-P452 WeakPolarHBondContact O-CD 3.46Å; P452-K454 PolarHBondContact O-N 3.43Å; P452-L456 CarbonylContact C-O 3.52Å; P452-L456 WeakPolarHBondContact CA-O 3.45Å; P452-L457 HydrophobicContact CB-CD2 3.84Å; P452-L457 HydrophobicContact CB-CG 4.07Å
453K81.1Confident85.8Confident154 Ų15470.9 Ų70.967%0.6736%0.363SS*.BIsolated β-bridgetrans-86.2114.1177.5-70.5-176.4179.5-1800108.7K451 G455 L456K451-K453 PolarHBondContact O-N 3.37Å; K453-G455 VanDerWaalsContact C-N 3.28Å; K453-G455 PolarHBondContact O-N 2.93Å; K453-L456 PolarHBondContact N-O 3.27Å; K453-L456 PolarHBondContact O-N 3.37Å
454K80.4Confident85.3Confident206 Ų20677.3 Ų77.390%0.89640%0.397SS*.THydrogen-bonded Turntrans58.535.5-174.3-56-177.3176.9-177.30113.4P452 L456P452-K454 PolarHBondContact O-N 3.43Å; K454-L456 VanDerWaalsContact C-N 3.26Å; K454-L456 PolarHBondContact O-N 3.48Å
455G80.9Confident85.1Confident39 Ų3974 Ų7440%0.40238%0.382SS..THydrogen-bonded Turntrans7414.7-179.300000114.5F447 K453F447-G455 WeakPolarHBondContact CZ-O 3.41Å; K453-G455 VanDerWaalsContact C-N 3.28Å; K453-G455 PolarHBondContact O-N 2.93Å
456L85.7Confident85Confident44 Ų4468.1 Ų68.123%0.2336%0.355CS..BIsolated β-bridgetrans-124.5140.4178.5-64.4171000110.3P452 K453 K454 R490 V491 N492P452-L456 CarbonylContact C-O 3.52Å; P452-L456 WeakPolarHBondContact CA-O 3.45Å; K453-L456 PolarHBondContact N-O 3.27Å; K453-L456 PolarHBondContact O-N 3.37Å; K454-L456 VanDerWaalsContact C-N 3.26Å; K454-L456 PolarHBondContact O-N 3.48Å; L456-R490 HydrophobicContact CB-CB 4.14Å; L456-R490 HydrophobicContact CD1-CB 4.47Å; L456-V491 WeakPolarHBondContact CA-O 3.47Å; L456-N492 HydrophobicContact CD2-CB 3.85Å
457L87.3Confident84.7Confident0 Ų068.1 Ų68.10%036%0.359CS..EExtended strand (participates in β ladder)trans-105138.8171.6-68.1172.3000110.3F447 L450 P452 Q461 M462 R490 V491 F496F447-L457 HydrophobicContact CD2-CD1 3.38Å; F447-L457 HydrophobicContact CD2-CG 4.08Å; F447-L457 HydrophobicContact CE2-CD1 3.45Å; F447-L457 VanDerWaalsContact CE2-CD1 3.45Å; F447-L457 HydrophobicContact CE2-CG 3.65Å; F447-L457 HydrophobicContact CG-CD1 4.4Å; F447-L457 HydrophobicContact CZ-CG 4.34Å; L450-L457 HydrophobicContact CB-CD1 4.13Å; L450-L457 HydrophobicContact CB-CD2 3.59Å; L450-L457 HydrophobicContact CD1-CD1 3.74Å; P452-L457 HydrophobicContact CB-CD2 3.84Å; P452-L457 HydrophobicContact CB-CG 4.07Å; L457-Q461 HydrophobicContact CD2-CB 4.07Å; L457-M462 HydrophobicContact CB-CG 4.24Å; L457-M462 HydrophobicContact CB-SD 4.24Å; L457-M462 HydrophobicContact CD1-CG 4.09Å; L457-M462 HydrophobicContact CD1-SD 4.12Å; L457-R490 CarbonylContact O-C 3.55Å; L457-R490 VanDerWaalsContact O-CA 3.24Å; L457-R490 WeakPolarHBondContact O-CA 3.28Å; L457-V491 HydrophobicContact CB-CG2 4.02Å; L457-V491 PolarHBondContact N-O 2.91Å; L457-V491 PolarHBondContact O-N 3.02Å; L457-F496 HydrophobicContact CD1-CD2 3.79Å; L457-F496 HydrophobicContact CD1-CE2 4.11Å; L457-F496 HydrophobicContact CD1-CG 4.46Å
458S87.5Confident84.3Confident47 Ų4776 Ų7633%0.32940%0.398SS..EExtended strand (participates in β ladder)trans-89160.5168.471.10000111.6G460 Q461 M462S458-G460 PolarHBondContact O-N 2.87Å; S458-G460 VanDerWaalsContact O-N 3.16Å; S458-Q461 WeakPolarHBondContact O-CB 3.37Å; S458-Q461 PolarHBondContact O-N 2.88Å; S458-M462 PolarHBondContact O-N 3.34Å
459W85.7Confident84.1Confident69 Ų6972.7 Ų72.726%0.26138%0.382SS..Hα-helixtrans-49.3-41.7172.6178.5-89.1000112.3Q461 M462 K463 L466 L476 W480W459-Q461 VanDerWaalsContact C-N 3.31Å; W459-Q461 PolarHBondContact O-N 2.87Å; W459-M462 CarbonylContact O-C 3.56Å; W459-M462 PolarHBondContact O-N 3.47Å; W459-M462 VanDerWaalsContact O-N 3.11Å; W459-K463 PolarHBondContact O-N 2.77Å; W459-L466 HydrophobicContact CE3-CD1 4.29Å; W459-L466 HydrophobicContact CH2-CD1 4.03Å; W459-L466 HydrophobicContact CZ2-CD1 4.33Å; W459-L466 HydrophobicContact CZ3-CD1 4.02Å; W459-L476 HydrophobicContact CH2-CB 4.03Å; W459-W480 HydrophobicContact CB-CH2 4.15Å; W459-W480 HydrophobicContact CB-CZ2 4.32Å; W459-W480 HydrophobicContact CB-CZ3 4.42Å; W459-W480 HydrophobicContact CD2-CE3 4.39Å; W459-W480 HydrophobicContact CE3-CB 4.11Å; W459-W480 AromaticContact CE3-CD2 3.46Å; W459-W480 HydrophobicContact CE3-CD2 3.46Å; W459-W480 VanDerWaalsContact CE3-CD2 3.46Å; W459-W480 AromaticContact CE3-CE3 3.32Å; W459-W480 HydrophobicContact CE3-CE3 3.32Å; W459-W480 AromaticContact CE3-CG 3.8Å; W459-W480 HydrophobicContact CE3-CG 3.8Å; W459-W480 AromaticContact CE3-CZ3 3.89Å; W459-W480 HydrophobicContact CE3-CZ3 3.89Å; W459-W480 HydrophobicContact CZ3-CB 3.61Å; W459-W480 AromaticContact CZ3-CD2 3.88Å; W459-W480 HydrophobicContact CZ3-CD2 3.88Å; W459-W480 AromaticContact CZ3-CE3 3.73Å; W459-W480 HydrophobicContact CZ3-CE3 3.73Å; W459-W480 AromaticContact CZ3-CG 3.84Å; W459-W480 HydrophobicContact CZ3-CG 3.84Å
460G85.3Confident83.9Confident53 Ų5372.1 Ų72.155%0.54639%0.389SS..Hα-helixtrans-60.3-36.1178.500000113.8S458 M462S458-G460 PolarHBondContact O-N 2.87Å; S458-G460 VanDerWaalsContact O-N 3.16Å; G460-M462 VanDerWaalsContact C-N 3.34Å
461Q85.6Confident83.8Confident49 Ų4972 Ų7223%0.22939%0.388CS..Hα-helixtrans-71.2-31.8176.5-65.4179.3-85.200111.9L450 K451 L457 S458 W459L450-Q461 PolarHBondContact O-NE2 3.43Å; K451-Q461 PolarHBondContact O-NE2 3.22Å; L457-Q461 HydrophobicContact CD2-CB 4.07Å; S458-Q461 WeakPolarHBondContact O-CB 3.37Å; S458-Q461 PolarHBondContact O-N 2.88Å; W459-Q461 VanDerWaalsContact C-N 3.31Å; W459-Q461 PolarHBondContact O-N 2.87Å
462M85.9Confident83.9Confident0 Ų066.8 Ų66.80%037%0.373CS..Hα-helixtrans-88-17.3179.2-70.1-174.159.200113.6L450 L457 S458 W459 G460 L464 L465 L466 W480 V491 F496 I499L450-M462 HydrophobicContact CD1-CG 4.29Å; L457-M462 HydrophobicContact CB-CG 4.24Å; L457-M462 HydrophobicContact CB-SD 4.24Å; L457-M462 HydrophobicContact CD1-CG 4.09Å; L457-M462 HydrophobicContact CD1-SD 4.12Å; S458-M462 PolarHBondContact O-N 3.34Å; W459-M462 CarbonylContact O-C 3.56Å; W459-M462 PolarHBondContact O-N 3.47Å; W459-M462 VanDerWaalsContact O-N 3.11Å; G460-M462 VanDerWaalsContact C-N 3.34Å; M462-L464 VanDerWaalsContact C-N 3.28Å; M462-L464 PolarHBondContact O-N 2.87Å; M462-L464 VanDerWaalsContact O-N 3.15Å; M462-L465 WeakPolarHBondContact O-CA 3.34Å; M462-L465 WeakPolarHBondContact O-CB 3.46Å; M462-L465 PolarHBondContact O-N 3.3Å; M462-L466 HydrophobicContact CB-CD1 4.02Å; M462-L466 HydrophobicContact CB-CG 4.16Å; M462-L466 HydrophobicContact CE-CD2 4.18Å; M462-L466 WeakPolarHBondContact O-CG 3.47Å; M462-L466 PolarHBondContact O-N 3.24Å; M462-W480 HydrophobicContact CB-CZ3 4.17Å; M462-W480 HydrophobicContact CE-CZ3 4.2Å; M462-W480 HydrophobicContact CG-CZ3 4.3Å; M462-W480 HydrophobicContact SD-CH2 4.04Å; M462-W480 HydrophobicContact SD-CZ3 3.52Å; M462-W480 VanDerWaalsContact SD-CZ3 3.52Å; M462-V491 HydrophobicContact SD-CG2 3.48Å; M462-V491 WeakPolarHBondContact SD-CG2 3.35Å; M462-F496 HydrophobicContact CE-CD2 3.54Å; M462-F496 HydrophobicContact CE-CE2 3.74Å; M462-F496 HydrophobicContact SD-CD2 3.73Å; M462-F496 HydrophobicContact SD-CE2 4.17Å; M462-I499 HydrophobicContact CE-CB 4.37Å; M462-I499 HydrophobicContact CE-CD1 3.96Å; M462-I499 HydrophobicContact CE-CG2 3.78Å; M462-I499 HydrophobicContact SD-CD1 4.43Å
463K81.9Confident83.9Confident102 Ų10269.9 Ų69.944%0.44339%0.387SS..Hα-helixtrans-51.7-43-172.6-167.8175-178.2-1800113.5W459 L466 N467W459-K463 PolarHBondContact O-N 2.77Å; K463-L466 PolarHBondContact O-N 3.39Å; K463-N467 WeakPolarHBondContact O-CB 3.41Å; K463-N467 PolarHBondContact O-N 3.31Å; K463-N467 PolarHBondContact O-OD1 3.03Å
464L79.6Confident84.3Confident140 Ų14068.7 Ų68.773%0.73339%0.388SS*.Hα-helixtrans-63.4-45.8176.5-73.7168.1000112.1M462 N467 M468M462-L464 VanDerWaalsContact C-N 3.28Å; M462-L464 PolarHBondContact O-N 2.87Å; M462-L464 VanDerWaalsContact O-N 3.15Å; L464-N467 PolarHBondContact O-N 3.38Å; L464-M468 WeakPolarHBondContact O-CG 3.2Å; L464-M468 PolarHBondContact O-N 3.5Å
465L83.9Confident84.6Confident15 Ų1560.7 Ų60.78%0.07936%0.357CS..Hα-helixtrans-64.6-41.7178.6-176.4162.7000111.5K446 L450 M462 M468 F496K446-L465 HydrophobicContact CD-CD1 3.84Å; K446-L465 HydrophobicContact CG-CD1 4.1Å; L450-L465 HydrophobicContact CD1-CD1 3.85Å; M462-L465 WeakPolarHBondContact O-CA 3.34Å; M462-L465 WeakPolarHBondContact O-CB 3.46Å; M462-L465 PolarHBondContact O-N 3.3Å; L465-M468 PolarHBondContact O-N 2.83Å; L465-F496 HydrophobicContact CD1-CE2 4.13Å; L465-F496 HydrophobicContact CD1-CZ 4.05Å
466L85.2Confident85Confident3 Ų359.1 Ų59.12%0.01634%0.339CS..Hα-helixtrans-67.9-41.2179.3-63.2176.4000111.3W459 M462 K463 M468 T469 L476 I499 I503W459-L466 HydrophobicContact CE3-CD1 4.29Å; W459-L466 HydrophobicContact CH2-CD1 4.03Å; W459-L466 HydrophobicContact CZ2-CD1 4.33Å; W459-L466 HydrophobicContact CZ3-CD1 4.02Å; M462-L466 HydrophobicContact CB-CD1 4.02Å; M462-L466 HydrophobicContact CB-CG 4.16Å; M462-L466 HydrophobicContact CE-CD2 4.18Å; M462-L466 WeakPolarHBondContact O-CG 3.47Å; M462-L466 PolarHBondContact O-N 3.24Å; K463-L466 PolarHBondContact O-N 3.39Å; L466-M468 VanDerWaalsContact C-N 3.25Å; L466-M468 PolarHBondContact O-N 3.21Å; L466-T469 WeakPolarHBondContact O-CB 3.44Å; L466-T469 WeakPolarHBondContact O-CG2 3.49Å; L466-T469 PolarHBondContact O-N 3.13Å; L466-T469 VanDerWaalsContact O-N 3.07Å; L466-T469 PolarHBondContact O-OG1 3.04Å; L466-L476 HydrophobicContact CB-CD1 4.02Å; L466-L476 HydrophobicContact CB-CD2 4.14Å; L466-L476 HydrophobicContact CD2-CD2 4.12Å; L466-I499 HydrophobicContact CD2-CG2 4.11Å; L466-I503 HydrophobicContact CD2-CD1 3.48Å; L466-I503 VanDerWaalsContact CD2-CD1 3.48Å
467N81.9Confident85.1Confident92 Ų9260.5 Ų60.549%0.49235%0.349SS..Hα-helixtrans-61.8-33.1176.7-77-1.3000112.6K463 L464 T469 G470K463-N467 WeakPolarHBondContact O-CB 3.41Å; K463-N467 PolarHBondContact O-N 3.31Å; K463-N467 PolarHBondContact O-OD1 3.03Å; L464-N467 PolarHBondContact O-N 3.38Å; N467-T469 PolarHBondContact O-N 3.37Å; N467-G470 PolarHBondContact O-N 2.91Å
468M81.6Confident85.2Confident171 Ų17163.7 Ų63.784%0.84236%0.364SS*.THydrogen-bonded Turntrans-68.1-11176.6-69.9175.5122.800113.9L464 L465 L466 G470L464-M468 WeakPolarHBondContact O-CG 3.2Å; L464-M468 PolarHBondContact O-N 3.5Å; L465-M468 PolarHBondContact O-N 2.83Å; L466-M468 VanDerWaalsContact C-N 3.25Å; L466-M468 PolarHBondContact O-N 3.21Å; M468-G470 VanDerWaalsContact C-N 3.34Å
469T82.8Confident85.3Confident22 Ų2261.5 Ų61.514%0.13535%0.349CS..THydrogen-bonded Turntrans-78.3-16.8-179.767.60000113.7L466 N467 L471 I503 M507L466-T469 WeakPolarHBondContact O-CB 3.44Å; L466-T469 WeakPolarHBondContact O-CG2 3.49Å; L466-T469 PolarHBondContact O-N 3.13Å; L466-T469 VanDerWaalsContact O-N 3.07Å; L466-T469 PolarHBondContact O-OG1 3.04Å; N467-T469 PolarHBondContact O-N 3.37Å; T469-L471 PolarHBondContact O-N 3.29Å; T469-L471 PolarHBondContact OG1-N 3.5Å; T469-I503 HydrophobicContact CG2-CD1 4.25Å; T469-I503 HydrophobicContact CG2-CG2 3.62Å; T469-M507 WeakPolarHBondContact O-CE 3.22Å
470G81.9Confident85.5Confident71 Ų7159.2 Ų59.273%0.73234%0.34SS*.  trans73.42.4-174.400000114.9N467 M468N467-G470 PolarHBondContact O-N 2.91Å; M468-G470 VanDerWaalsContact C-N 3.34Å
471L84.8Confident85.7Confident36 Ų3660.2 Ų60.219%0.18834%0.339CS..  trans-78150.4177.3-61178.9000111.6T469 T475 L476 I479 I503 V506 M507T469-L471 PolarHBondContact O-N 3.29Å; T469-L471 PolarHBondContact OG1-N 3.5Å; L471-T475 HydrophobicContact CD1-CG2 4.44Å; L471-L476 HydrophobicContact CB-CD1 4.48Å; L471-L476 HydrophobicContact CB-CD2 3.98Å; L471-L476 HydrophobicContact CB-CG 3.99Å; L471-L476 HydrophobicContact CD1-CD2 4.14Å; L471-I479 HydrophobicContact CD1-CD1 4.13Å; L471-I503 HydrophobicContact CD1-CB 4.42Å; L471-I503 HydrophobicContact CD1-CG1 4.35Å; L471-I503 HydrophobicContact CD1-CG2 4.02Å; L471-V506 HydrophobicContact CD1-CB 4.37Å; L471-V506 HydrophobicContact CD1-CG1 4.22Å; L471-V506 HydrophobicContact CD2-CG1 3.76Å; L471-M507 HydrophobicContact CD2-CG 4.32Å
472S87.2Confident85.8Confident60 Ų6058.5 Ų58.542%0.4233%0.331SS..  trans-63.1150177.1850000111.8N474 T475 L476S472-N474 PolarHBondContact O-N 2.89Å; S472-T475 WeakPolarHBondContact O-CB 3.4Å; S472-T475 PolarHBondContact O-N 2.91Å; S472-T475 VanDerWaalsContact O-N 3.1Å; S472-T475 PolarHBondContact OG-N 2.8Å; S472-T475 VanDerWaalsContact OG-N 3.14Å; S472-T475 PolarHBondContact OG-OG1 3.17Å; S472-L476 WeakPolarHBondContact O-CG 3.26Å; S472-L476 PolarHBondContact O-N 3.03Å
473I86.6Confident85.9Confident95 Ų9558.6 Ų58.649%0.48733%0.332SS..Hα-helixtrans-56.8-34176.9-165.5106.5000111.9L476 T477I473-L476 PolarHBondContact O-N 3.48Å; I473-T477 WeakPolarHBondContact O-CB 3.49Å; I473-T477 PolarHBondContact O-N 2.65Å; I473-T477 PolarHBondContact O-OG1 2.76Å
474N88Confident86.1Confident128 Ų12854.2 Ų54.268%0.68431%0.313SS*.Hα-helixtrans-66.4-45.8177.8-66.8-12.7000111.1S472 L476 T477 H478S472-N474 PolarHBondContact O-N 2.89Å; N474-L476 PolarHBondContact O-N 3.36Å; N474-T477 PolarHBondContact O-N 3.2Å; N474-H478 PolarHBondContact O-N 3.26Å
475T87Confident85.9Confident39 Ų3952.9 Ų52.924%0.23930%0.298CS..Hα-helixtrans-61.2-43.9175.9-50.60000111.3L471 S472 T477 H478 I479 V506 L512L471-T475 HydrophobicContact CD1-CG2 4.44Å; S472-T475 WeakPolarHBondContact O-CB 3.4Å; S472-T475 PolarHBondContact O-N 2.91Å; S472-T475 VanDerWaalsContact O-N 3.1Å; S472-T475 PolarHBondContact OG-N 2.8Å; S472-T475 VanDerWaalsContact OG-N 3.14Å; S472-T475 PolarHBondContact OG-OG1 3.17Å; T475-T477 VanDerWaalsContact C-N 3.35Å; T475-T477 PolarHBondContact O-N 2.84Å; T475-H478 PolarHBondContact O-N 2.99Å; T475-I479 HydrophobicContact CG2-CD1 4.18Å; T475-I479 VanDerWaalsContact O-CG1 3.31Å; T475-I479 WeakPolarHBondContact O-CG1 3.27Å; T475-I479 PolarHBondContact O-N 3.41Å; T475-V506 HydrophobicContact CG2-CG1 4.12Å; T475-L512 HydrophobicContact CG2-CD1 3.63Å
476L89.5Confident85.7Confident5 Ų556.7 Ų56.73%0.02632%0.319CS..Hα-helixtrans-65.9-37.8178.8-67.5169.9000112.3W459 L466 L471 S472 I473 N474 I479 W480 I503W459-L476 HydrophobicContact CH2-CB 4.03Å; L466-L476 HydrophobicContact CB-CD1 4.02Å; L466-L476 HydrophobicContact CB-CD2 4.14Å; L466-L476 HydrophobicContact CD2-CD2 4.12Å; L471-L476 HydrophobicContact CB-CD1 4.48Å; L471-L476 HydrophobicContact CB-CD2 3.98Å; L471-L476 HydrophobicContact CB-CG 3.99Å; L471-L476 HydrophobicContact CD1-CD2 4.14Å; S472-L476 WeakPolarHBondContact O-CG 3.26Å; S472-L476 PolarHBondContact O-N 3.03Å; I473-L476 PolarHBondContact O-N 3.48Å; N474-L476 PolarHBondContact O-N 3.36Å; L476-I479 PolarHBondContact O-N 3.21Å; L476-W480 PolarHBondContact O-N 3.31Å; L476-I503 HydrophobicContact CD2-CD1 4.49Å; L476-I503 HydrophobicContact CD2-CG1 4.44Å
477T89.1Confident85.4Confident73 Ų7365.4 Ų65.445%0.44836%0.357SS..Hα-helixtrans-67.3-39.1176.3-53.70000111I473 N474 T475 W480 S481I473-T477 WeakPolarHBondContact O-CB 3.49Å; I473-T477 PolarHBondContact O-N 2.65Å; I473-T477 PolarHBondContact O-OG1 2.76Å; N474-T477 PolarHBondContact O-N 3.2Å; T475-T477 VanDerWaalsContact C-N 3.35Å; T475-T477 PolarHBondContact O-N 2.84Å; T477-W480 PolarHBondContact O-N 3.46Å; T477-S481 PolarHBondContact O-N 2.87Å
478H88.7Confident85.5Confident67 Ų6764.5 Ų64.531%0.3135%0.352SS..Hα-helixtrans-65.9-40.8173.9-165.991.2000112.3N474 T475 W480 S481 L482 P513N474-H478 PolarHBondContact O-N 3.26Å; T475-H478 PolarHBondContact O-N 2.99Å; H478-W480 VanDerWaalsContact C-N 3.3Å; H478-W480 PolarHBondContact O-N 3.05Å; H478-S481 PolarHBondContact O-N 3.45Å; H478-S481 PolarHBondContact O-OG 3.04Å; H478-L482 VanDerWaalsContact O-CG 3.32Å; H478-L482 WeakPolarHBondContact O-CG 3.43Å; H478-L482 PolarHBondContact O-N 3.22Å; H478-L482 VanDerWaalsContact O-N 3.11Å; H478-P513 PolarHBondContact NE2-O 2.84Å
479I89.9Confident85.6Confident2 Ų258.2 Ų58.21%0.0133%0.331CS..Hα-helixtrans-61-41.8174.4-71.9166.8000111.1L471 T475 L476 L482 A483 I499 L502 I503 V506 L512L471-I479 HydrophobicContact CD1-CD1 4.13Å; T475-I479 HydrophobicContact CG2-CD1 4.18Å; T475-I479 VanDerWaalsContact O-CG1 3.31Å; T475-I479 WeakPolarHBondContact O-CG1 3.27Å; T475-I479 PolarHBondContact O-N 3.41Å; L476-I479 PolarHBondContact O-N 3.21Å; I479-L482 PolarHBondContact O-N 3.18Å; I479-A483 PolarHBondContact O-N 3.33Å; I479-I499 HydrophobicContact CG2-CB 4.35Å; I479-I499 HydrophobicContact CG2-CG1 4.3Å; I479-I499 HydrophobicContact CG2-CG2 4.05Å; I479-L502 HydrophobicContact CG1-CB 4.23Å; I479-L502 HydrophobicContact CG2-CB 3.79Å; I479-L502 HydrophobicContact CG2-CD1 4.07Å; I479-I503 HydrophobicContact CD1-CG1 3.85Å; I479-I503 HydrophobicContact CG2-CG1 4.32Å; I479-V506 HydrophobicContact CD1-CG2 4.28Å; I479-L512 HydrophobicContact CD1-CD1 4.28Å; I479-L512 HydrophobicContact CD1-CD2 4.34Å; I479-L512 HydrophobicContact CG1-CD1 3.81Å; I479-L512 HydrophobicContact CG1-CD2 3.58Å; I479-L512 HydrophobicContact CG1-CG 4.34Å
480W90.3Very high85.8Confident20 Ų2063.1 Ų63.18%0.07635%0.347CS..Hα-helixtrans-65.9-44.5178.3-174.3-73.5000112.2W459 M462 L476 T477 H478 L482 A483 D484 V491 I499W459-W480 HydrophobicContact CB-CH2 4.15Å; W459-W480 HydrophobicContact CB-CZ2 4.32Å; W459-W480 HydrophobicContact CB-CZ3 4.42Å; W459-W480 HydrophobicContact CD2-CE3 4.39Å; W459-W480 HydrophobicContact CE3-CB 4.11Å; W459-W480 AromaticContact CE3-CD2 3.46Å; W459-W480 HydrophobicContact CE3-CD2 3.46Å; W459-W480 VanDerWaalsContact CE3-CD2 3.46Å; W459-W480 AromaticContact CE3-CE3 3.32Å; W459-W480 HydrophobicContact CE3-CE3 3.32Å; W459-W480 AromaticContact CE3-CG 3.8Å; W459-W480 HydrophobicContact CE3-CG 3.8Å; W459-W480 AromaticContact CE3-CZ3 3.89Å; W459-W480 HydrophobicContact CE3-CZ3 3.89Å; W459-W480 HydrophobicContact CZ3-CB 3.61Å; W459-W480 AromaticContact CZ3-CD2 3.88Å; W459-W480 HydrophobicContact CZ3-CD2 3.88Å; W459-W480 AromaticContact CZ3-CE3 3.73Å; W459-W480 HydrophobicContact CZ3-CE3 3.73Å; W459-W480 AromaticContact CZ3-CG 3.84Å; W459-W480 HydrophobicContact CZ3-CG 3.84Å; M462-W480 HydrophobicContact CB-CZ3 4.17Å; M462-W480 HydrophobicContact CE-CZ3 4.2Å; M462-W480 HydrophobicContact CG-CZ3 4.3Å; M462-W480 HydrophobicContact SD-CH2 4.04Å; M462-W480 HydrophobicContact SD-CZ3 3.52Å; M462-W480 VanDerWaalsContact SD-CZ3 3.52Å; L476-W480 PolarHBondContact O-N 3.31Å; T477-W480 PolarHBondContact O-N 3.46Å; H478-W480 VanDerWaalsContact C-N 3.3Å; H478-W480 PolarHBondContact O-N 3.05Å; W480-L482 PolarHBondContact O-N 3.3Å; W480-A483 PolarHBondContact O-N 2.81Å; W480-D484 PolarHBondContact NE1-OD2 3.25Å; W480-D484 WeakPolarHBondContact O-CB 3.24Å; W480-D484 PolarHBondContact O-N 3.43Å; W480-V491 HydrophobicContact CD2-CG1 4.48Å; W480-V491 HydrophobicContact CH2-CB 4.42Å; W480-V491 HydrophobicContact CH2-CG1 4.07Å; W480-V491 HydrophobicContact CH2-CG2 3.58Å; W480-V491 HydrophobicContact CZ2-CG1 3.84Å; W480-V491 HydrophobicContact CZ2-CG2 4.15Å; W480-V491 HydrophobicContact CZ3-CG1 4.48Å; W480-V491 HydrophobicContact CZ3-CG2 4.01Å; W480-I499 HydrophobicContact CD2-CD1 4.24Å; W480-I499 HydrophobicContact CE3-CD1 3.71Å; W480-I499 HydrophobicContact CZ3-CD1 4.09Å
481S88.2Confident86.1Confident75 Ų7559.7 Ų59.752%0.52431%0.312SS..Hα-helixtrans-64.3-28178.467.10000113T477 H478T477-S481 PolarHBondContact O-N 2.87Å; H478-S481 PolarHBondContact O-N 3.45Å; H478-S481 PolarHBondContact O-OG 3.04Å
482L87.9Confident86.2Confident13 Ų1359.9 Ų59.97%0.06831%0.313CS..Hα-helixtrans-71.5-30.4172.3-72173.1000113.2H478 I479 W480 L502 L512 P513 L516H478-L482 VanDerWaalsContact O-CG 3.32Å; H478-L482 WeakPolarHBondContact O-CG 3.43Å; H478-L482 PolarHBondContact O-N 3.22Å; H478-L482 VanDerWaalsContact O-N 3.11Å; I479-L482 PolarHBondContact O-N 3.18Å; W480-L482 PolarHBondContact O-N 3.3Å; L482-L502 HydrophobicContact CB-CD1 4.03Å; L482-L502 HydrophobicContact CD1-CD1 4.27Å; L482-L512 HydrophobicContact CD1-CD2 3.99Å; L482-P513 HydrophobicContact CD1-CG 4.38Å; L482-L516 HydrophobicContact CB-CD1 4.4Å; L482-L516 HydrophobicContact CD2-CB 4.4Å
483A87.9Confident86.3Confident1 Ų159.1 Ų59.11%0.00830%0.303CS..Hα-helixtrans-90.1-43.3-177.500000113.4I479 W480 R485 L498 I499I479-A483 PolarHBondContact O-N 3.33Å; W480-A483 PolarHBondContact O-N 2.81Å; A483-R485 VanDerWaalsContact C-N 3.27Å; A483-R485 PolarHBondContact O-N 2.85Å; A483-L498 HydrophobicContact CB-CB 4.46Å; A483-L498 HydrophobicContact CB-CD2 4.06Å; A483-L498 HydrophobicContact CB-CG 4.34Å; A483-I499 HydrophobicContact CB-CD1 4.04Å; A483-I499 HydrophobicContact CB-CG1 3.47Å; A483-I499 VanDerWaalsContact CB-CG1 3.47Å
484D86.9Confident86.3Confident11 Ų1157.3 Ų57.36%0.05929%0.29CS..  trans-75.173.7179.3-177.1-2.8000110.6W480 N486 K487 D488 G489 V491W480-D484 PolarHBondContact NE1-OD2 3.25Å; W480-D484 WeakPolarHBondContact O-CB 3.24Å; W480-D484 PolarHBondContact O-N 3.43Å; D484-N486 VanDerWaalsContact C-N 3.33Å; D484-N486 PolarHBondContact O-N 3.19Å; D484-N486 PolarHBondContact OD1-OD1 3.47Å; D484-K487 PolarHBondContact O-N 2.9Å; D484-K487 WeakPolarHBondContact OD1-CA 3.39Å; D484-K487 PolarHBondContact OD1-N 2.69Å; D484-D488 PolarHBondContact OD1-N 3.32Å; D484-G489 VanDerWaalsContact OD2-CA 3.22Å; D484-G489 WeakPolarHBondContact OD2-CA 3.45Å; D484-G489 PolarHBondContact OD2-N 2.98Å; D484-V491 HydrophobicContact CB-CG1 4.49Å
485R73.9Confident86.4Confident112 Ų11252 Ų5242%0.42326%0.261SS..THydrogen-bonded Turntrans-70-30.1-174.1-73.8-177.669.9-159.7-2.4112.8A483 K487 R521A483-R485 VanDerWaalsContact C-N 3.27Å; A483-R485 PolarHBondContact O-N 2.85Å; R485-K487 VanDerWaalsContact C-N 3.27Å; R485-R521 VanDerWaalsContact CZ-CD 3.49Å; R485-R521 VanDerWaalsContact NH1-CD 3.34Å
486N79.6Confident86.6Confident94 Ų9450.1 Ų50.150%0.50325%0.25SC..THydrogen-bonded Turntrans-83.9-5176.162.5-15.9000112.4D484 D488D484-N486 VanDerWaalsContact C-N 3.33Å; D484-N486 PolarHBondContact O-N 3.19Å; D484-N486 PolarHBondContact OD1-OD1 3.47Å; N486-D488 PolarHBondContact ND2-OD2 2.91Å; N486-D488 PolarHBondContact O-N 3.3Å
487K80Confident86.7Confident187 Ų18750.7 Ų50.781%0.81325%0.252SS*.  trans53.835.5179-59.5-176177.6-177.30112.1D484 R485 G489D484-K487 PolarHBondContact O-N 2.9Å; D484-K487 WeakPolarHBondContact OD1-CA 3.39Å; D484-K487 PolarHBondContact OD1-N 2.69Å; R485-K487 VanDerWaalsContact C-N 3.27Å; K487-G489 VanDerWaalsContact C-N 3.31Å
488D84Confident86.7Confident72 Ų7247.3 Ų47.339%0.38523%0.231SC..SBendtrans-87.9-2.7-178.478.24.1000112.9D484 N486 R490D484-D488 PolarHBondContact OD1-N 3.32Å; N486-D488 PolarHBondContact ND2-OD2 2.91Å; N486-D488 PolarHBondContact O-N 3.3Å; D488-R490 PolarHBondContact O-N 3.15Å; D488-R490 VanDerWaalsContact OD1-CA 3.32Å; D488-R490 WeakPolarHBondContact OD1-CA 3.46Å; D488-R490 WeakPolarHBondContact OD1-CB 3.46Å; D488-R490 PolarHBondContact OD1-N 3.21Å
489G83.7Confident86.8Confident39 Ų3944.1 Ų44.140%0.40222%0.216SC..SBendtrans75.211.2-179.700000113.3D484 K487D484-G489 VanDerWaalsContact OD2-CA 3.22Å; D484-G489 WeakPolarHBondContact OD2-CA 3.45Å; D484-G489 PolarHBondContact OD2-N 2.98Å; K487-G489 VanDerWaalsContact C-N 3.31Å
490R87.1Confident86.9Confident125 Ų12544.5 Ų44.547%0.47222%0.218SC..EExtended strand (participates in β ladder)trans-131.4160.3179.9-53.2-176.2-176.5-1600.8109L456 L457 D488L456-R490 HydrophobicContact CB-CB 4.14Å; L456-R490 HydrophobicContact CD1-CB 4.47Å; L457-R490 CarbonylContact O-C 3.55Å; L457-R490 VanDerWaalsContact O-CA 3.24Å; L457-R490 WeakPolarHBondContact O-CA 3.28Å; D488-R490 PolarHBondContact O-N 3.15Å; D488-R490 VanDerWaalsContact OD1-CA 3.32Å; D488-R490 WeakPolarHBondContact OD1-CA 3.46Å; D488-R490 WeakPolarHBondContact OD1-CB 3.46Å; D488-R490 PolarHBondContact OD1-N 3.21Å
491V87.5Confident86.8Confident0 Ų045.1 Ų45.10%022%0.22CC..EExtended strand (participates in β ladder)trans-129.7131.2177.4-72.10000111.3L456 L457 M462 W480 D484 E495 I499L456-V491 WeakPolarHBondContact CA-O 3.47Å; L457-V491 HydrophobicContact CB-CG2 4.02Å; L457-V491 PolarHBondContact N-O 2.91Å; L457-V491 PolarHBondContact O-N 3.02Å; M462-V491 HydrophobicContact SD-CG2 3.48Å; M462-V491 WeakPolarHBondContact SD-CG2 3.35Å; W480-V491 HydrophobicContact CD2-CG1 4.48Å; W480-V491 HydrophobicContact CH2-CB 4.42Å; W480-V491 HydrophobicContact CH2-CG1 4.07Å; W480-V491 HydrophobicContact CH2-CG2 3.58Å; W480-V491 HydrophobicContact CZ2-CG1 3.84Å; W480-V491 HydrophobicContact CZ2-CG2 4.15Å; W480-V491 HydrophobicContact CZ3-CG1 4.48Å; W480-V491 HydrophobicContact CZ3-CG2 4.01Å; D484-V491 HydrophobicContact CB-CG1 4.49Å; V491-E495 VanDerWaalsContact CA-OE2 3.31Å; V491-E495 WeakPolarHBondContact CA-OE2 3.32Å; V491-E495 HydrophobicContact CB-CB 3.72Å; V491-E495 HydrophobicContact CG1-CB 3.8Å; V491-I499 HydrophobicContact CB-CD1 4.36Å; V491-I499 HydrophobicContact CG1-CD1 3.75Å; V491-I499 HydrophobicContact CG2-CD1 4.2Å
492N87.9Confident86.9Confident39 Ų3941.7 Ų41.721%0.20920%0.196CC..  trans-76.6178.1169.968.751.8000111L456 Y494 E495 F496L456-N492 HydrophobicContact CD2-CB 3.85Å; N492-Y494 VanDerWaalsContact C-N 3.28Å; N492-Y494 PolarHBondContact O-N 3.23Å; N492-Y494 WeakPolarHBondContact OD1-CA 3.4Å; N492-Y494 WeakPolarHBondContact OD1-CB 3.42Å; N492-Y494 PolarHBondContact OD1-N 2.9Å; N492-E495 PolarHBondContact N-OE2 3.11Å; N492-E495 PolarHBondContact ND2-OE2 3.41Å; N492-E495 PolarHBondContact O-N 3.3Å; N492-E495 PolarHBondContact OD1-N 2.78Å; N492-F496 WeakPolarHBondContact O-CB 3.34Å; N492-F496 PolarHBondContact O-N 3.26Å
493E88.5Confident86.9Confident45 Ų4541.3 Ų41.321%0.2119%0.194CC..Hα-helixtrans-58.5-38.4-178.1-172.4-177.3166.200113.3H444 F447 F496 Y497H444-E493 IonicContact CE1-OE1 2.99Å; H444-E493 IonicContact CG-OE1 2.82Å; H444-E493 IonicContact ND1-OE1 3.43Å; H444-E493 PolarHBondContact ND1-OE1 3.01Å; H444-E493 IonicContact ND1-OE2 2.65Å; F447-E493 HydrophobicContact CD1-CB 4.02Å; F447-E493 HydrophobicContact CD1-CG 3.87Å; F447-E493 HydrophobicContact CD2-CB 4.5Å; F447-E493 HydrophobicContact CE1-CB 3.79Å; F447-E493 HydrophobicContact CE1-CG 4.16Å; F447-E493 HydrophobicContact CE2-CB 4.29Å; F447-E493 HydrophobicContact CG-CB 4.37Å; F447-E493 HydrophobicContact CG-CG 4.1Å; F447-E493 HydrophobicContact CZ-CB 3.93Å; E493-F496 WeakPolarHBondContact O-CB 3.47Å; E493-F496 PolarHBondContact O-N 3.44Å; E493-Y497 HydrophobicContact CG-CE1 3.93Å; E493-Y497 HydrophobicContact CG-CE2 4.37Å; E493-Y497 VanDerWaalsContact O-CD1 3.25Å; E493-Y497 WeakPolarHBondContact O-CD1 3.12Å; E493-Y497 PolarHBondContact O-N 2.92Å; E493-Y497 PolarHBondContact OE1-OH 3.3Å
494Y87.3Confident86.8Confident57 Ų5745.1 Ų45.122%0.22421%0.208CC..Hα-helixtrans-75.6-41.1-179.5-58.6-60.1000111.3W431 N492 F496 Y497 L498 H526W431-Y494 HydrophobicContact CH2-CD1 4.31Å; W431-Y494 HydrophobicContact CH2-CG 4.41Å; W431-Y494 VanDerWaalsContact CH2-O 3.23Å; W431-Y494 WeakPolarHBondContact CH2-O 3.47Å; W431-Y494 AromaticContact CZ2-CD1 3.51Å; W431-Y494 HydrophobicContact CZ2-CD1 3.51Å; W431-Y494 HydrophobicContact CZ2-CE1 4.49Å; W431-Y494 AromaticContact CZ2-CG 3.88Å; W431-Y494 HydrophobicContact CZ2-CG 3.88Å; N492-Y494 VanDerWaalsContact C-N 3.28Å; N492-Y494 PolarHBondContact O-N 3.23Å; N492-Y494 WeakPolarHBondContact OD1-CA 3.4Å; N492-Y494 WeakPolarHBondContact OD1-CB 3.42Å; N492-Y494 PolarHBondContact OD1-N 2.9Å; Y494-F496 PolarHBondContact O-N 2.87Å; Y494-Y497 HydrophobicContact CD1-CD2 4.13Å; Y494-Y497 HydrophobicContact CD1-CE2 4.19Å; Y494-Y497 HydrophobicContact CE1-CE2 4.49Å; Y494-Y497 WeakPolarHBondContact O-CB 3.32Å; Y494-Y497 PolarHBondContact O-N 3.04Å; Y494-L498 PolarHBondContact O-N 3.27Å; Y494-H526 HydrophobicContact CD2-CB 3.52Å; Y494-H526 AromaticContact CD2-CD2 3.67Å; Y494-H526 AromaticContact CD2-CG 3.45Å; Y494-H526 VanDerWaalsContact CD2-CG 3.45Å; Y494-H526 AromaticContact CE1-NE2 3.88Å; Y494-H526 HydrophobicContact CE2-CB 3.56Å; Y494-H526 AromaticContact CE2-CD2 3.35Å; Y494-H526 WeakPolarHBondContact CE2-CD2 3.34Å; Y494-H526 AromaticContact CE2-CE1 3.49Å; Y494-H526 VanDerWaalsContact CE2-CE1 3.49Å; Y494-H526 WeakPolarHBondContact CE2-CE1 3.37Å; Y494-H526 AromaticContact CE2-CG 3.04Å; Y494-H526 AromaticContact CE2-ND1 3.15Å; Y494-H526 WeakPolarHBondContact CE2-ND1 3.41Å; Y494-H526 AromaticContact CE2-NE2 3.63Å; Y494-H526 AromaticContact CZ-CD2 3.5Å; Y494-H526 AromaticContact CZ-CE1 3.3Å; Y494-H526 AromaticContact CZ-CG 3.63Å; Y494-H526 AromaticContact CZ-ND1 3.51Å; Y494-H526 AromaticContact CZ-NE2 3.3Å; Y494-H526 VanDerWaalsContact CZ-NE2 3.3Å; Y494-H526 PolarHBondContact OH-CE1 3.31Å; Y494-H526 PolarHBondContact OH-ND1 3.07Å; Y494-H526 PolarHBondContact OH-NE2 3.48Å
495E90Very high86.6Confident16 Ų1645.2 Ų45.28%0.07521%0.21CC..Hα-helixtrans-61.2-36171.8-68.7164.916100111.1V491 N492 Y497 L498 I499V491-E495 VanDerWaalsContact CA-OE2 3.31Å; V491-E495 WeakPolarHBondContact CA-OE2 3.32Å; V491-E495 HydrophobicContact CB-CB 3.72Å; V491-E495 HydrophobicContact CG1-CB 3.8Å; N492-E495 PolarHBondContact N-OE2 3.11Å; N492-E495 PolarHBondContact ND2-OE2 3.41Å; N492-E495 PolarHBondContact O-N 3.3Å; N492-E495 PolarHBondContact OD1-N 2.78Å; E495-Y497 PolarHBondContact O-N 2.69Å; E495-L498 WeakPolarHBondContact O-CB 3.42Å; E495-L498 PolarHBondContact O-N 2.7Å; E495-I499 WeakPolarHBondContact O-CG1 3.21Å; E495-I499 PolarHBondContact O-N 2.86Å
496F91Very high87.1Confident0 Ų041.4 Ų41.40%020%0.199CC..Hα-helixtrans-62.1-39.6171.2179.3-97.4000112.7W443 K446 F447 L450 L457 M462 L465 N492 E493 Y494 L498 I499 N500W443-F496 HydrophobicContact CB-CE1 4.28Å; W443-F496 WeakPolarHBondContact O-CE1 3.34Å; K446-F496 HydrophobicContact CB-CE1 4.35Å; K446-F496 HydrophobicContact CB-CZ 4.34Å; K446-F496 HydrophobicContact CD-CZ 4.4Å; K446-F496 HydrophobicContact CG-CZ 4.26Å; F447-F496 HydrophobicContact CB-CD1 3.78Å; F447-F496 HydrophobicContact CB-CE1 3.87Å; F447-F496 HydrophobicContact CB-CG 4.38Å; F447-F496 HydrophobicContact CD2-CB 3.63Å; F447-F496 AromaticContact CD2-CD1 3.87Å; F447-F496 HydrophobicContact CD2-CD1 3.87Å; F447-F496 HydrophobicContact CD2-CD2 4.1Å; F447-F496 AromaticContact CD2-CG 3.61Å; F447-F496 HydrophobicContact CD2-CG 3.61Å; F447-F496 HydrophobicContact CE2-CB 4.04Å; F447-F496 HydrophobicContact CE2-CG 4.43Å; F447-F496 HydrophobicContact CG-CD1 4.28Å; F447-F496 HydrophobicContact CG-CG 4.46Å; L450-F496 HydrophobicContact CD1-CE2 3.67Å; L450-F496 HydrophobicContact CD1-CZ 4.06Å; L457-F496 HydrophobicContact CD1-CD2 3.79Å; L457-F496 HydrophobicContact CD1-CE2 4.11Å; L457-F496 HydrophobicContact CD1-CG 4.46Å; M462-F496 HydrophobicContact CE-CD2 3.54Å; M462-F496 HydrophobicContact CE-CE2 3.74Å; M462-F496 HydrophobicContact SD-CD2 3.73Å; M462-F496 HydrophobicContact SD-CE2 4.17Å; L465-F496 HydrophobicContact CD1-CE2 4.13Å; L465-F496 HydrophobicContact CD1-CZ 4.05Å; N492-F496 WeakPolarHBondContact O-CB 3.34Å; N492-F496 PolarHBondContact O-N 3.26Å; E493-F496 WeakPolarHBondContact O-CB 3.47Å; E493-F496 PolarHBondContact O-N 3.44Å; Y494-F496 PolarHBondContact O-N 2.87Å; F496-L498 VanDerWaalsContact C-N 3.34Å; F496-I499 PolarHBondContact O-N 3.06Å; F496-N500 WeakPolarHBondContact CD1-ND2 3.32Å; F496-N500 WeakPolarHBondContact CE1-ND2 3.24Å; F496-N500 WeakPolarHBondContact CE2-ND2 3.22Å; F496-N500 WeakPolarHBondContact CZ-ND2 3.4Å; F496-N500 PolarHBondContact O-N 3.29Å; F496-N500 PolarHBondContact O-ND2 3.45Å
497Y91.1Very high87.1Confident17 Ų1742.5 Ų42.57%0.06720%0.203CC..Hα-helixtrans-64.2-41.6173.5-61.9-12.6000111.6W431 A438 W443 H444 E493 Y494 E495 N500 W501W431-Y497 HydrophobicContact CZ2-CD2 4.39Å; A438-Y497 HydrophobicContact CB-CD1 3.86Å; A438-Y497 HydrophobicContact CB-CD2 3.6Å; A438-Y497 HydrophobicContact CB-CE1 4.01Å; A438-Y497 HydrophobicContact CB-CE2 3.75Å; A438-Y497 HydrophobicContact CB-CG 3.66Å; W443-Y497 HydrophobicContact CB-CD1 3.67Å; W443-Y497 HydrophobicContact CB-CE1 3.63Å; W443-Y497 AromaticContact CE3-CD1 3.95Å; W443-Y497 HydrophobicContact CE3-CD1 3.95Å; W443-Y497 HydrophobicContact CE3-CG 4.07Å; W443-Y497 WeakPolarHBondContact CZ3-O 3.31Å; H444-Y497 WeakPolarHBondContact CA-OH 3.33Å; H444-Y497 WeakPolarHBondContact CB-OH 3.27Å; E493-Y497 HydrophobicContact CG-CE1 3.93Å; E493-Y497 HydrophobicContact CG-CE2 4.37Å; E493-Y497 VanDerWaalsContact O-CD1 3.25Å; E493-Y497 WeakPolarHBondContact O-CD1 3.12Å; E493-Y497 PolarHBondContact O-N 2.92Å; E493-Y497 PolarHBondContact OE1-OH 3.3Å; Y494-Y497 HydrophobicContact CD1-CD2 4.13Å; Y494-Y497 HydrophobicContact CD1-CE2 4.19Å; Y494-Y497 HydrophobicContact CE1-CE2 4.49Å; Y494-Y497 WeakPolarHBondContact O-CB 3.32Å; Y494-Y497 PolarHBondContact O-N 3.04Å; E495-Y497 PolarHBondContact O-N 2.69Å; Y497-N500 PolarHBondContact O-N 2.96Å; Y497-W501 VanDerWaalsContact O-CB 3.27Å; Y497-W501 WeakPolarHBondContact O-CB 3.25Å; Y497-W501 PolarHBondContact O-N 3.28Å
498L89.8Confident86.9Confident1 Ų143.2 Ų43.21%0.00520%0.2CC..Hα-helixtrans-62.4-43.8176.9-173.760000111.5W431 V434 A483 Y494 E495 F496 W501 L502 L516 L520W431-L498 HydrophobicContact CZ3-CB 4.24Å; V434-L498 HydrophobicContact CG2-CD1 4.48Å; A483-L498 HydrophobicContact CB-CB 4.46Å; A483-L498 HydrophobicContact CB-CD2 4.06Å; A483-L498 HydrophobicContact CB-CG 4.34Å; Y494-L498 PolarHBondContact O-N 3.27Å; E495-L498 WeakPolarHBondContact O-CB 3.42Å; E495-L498 PolarHBondContact O-N 2.7Å; F496-L498 VanDerWaalsContact C-N 3.34Å; L498-W501 HydrophobicContact CD1-CE3 4.46Å; L498-W501 PolarHBondContact O-N 3.35Å; L498-L502 HydrophobicContact CD1-CD1 4.45Å; L498-L502 HydrophobicContact CD1-CG 4.42Å; L498-L502 HydrophobicContact CG-CD1 4.13Å; L498-L502 WeakPolarHBondContact O-CB 3.38Å; L498-L502 WeakPolarHBondContact O-CG 3.38Å; L498-L502 PolarHBondContact O-N 3.03Å; L498-L516 HydrophobicContact CD1-CD1 4.15Å; L498-L516 HydrophobicContact CD2-CD1 4.04Å; L498-L516 HydrophobicContact CD2-CD2 3.52Å; L498-L516 HydrophobicContact CD2-CG 4.44Å; L498-L516 HydrophobicContact CG-CD1 4.45Å; L498-L520 HydrophobicContact CD1-CB 4.37Å; L498-L520 HydrophobicContact CD1-CD2 4.03Å
499I91.1Very high86.5Confident1 Ų143 Ų431%0.00522%0.215CC..Hα-helixtrans-58.9-51175.5-72.6172.2000111M462 L466 I479 W480 A483 V491 E495 F496 W501 L502 I503M462-I499 HydrophobicContact CE-CB 4.37Å; M462-I499 HydrophobicContact CE-CD1 3.96Å; M462-I499 HydrophobicContact CE-CG2 3.78Å; M462-I499 HydrophobicContact SD-CD1 4.43Å; L466-I499 HydrophobicContact CD2-CG2 4.11Å; I479-I499 HydrophobicContact CG2-CB 4.35Å; I479-I499 HydrophobicContact CG2-CG1 4.3Å; I479-I499 HydrophobicContact CG2-CG2 4.05Å; W480-I499 HydrophobicContact CD2-CD1 4.24Å; W480-I499 HydrophobicContact CE3-CD1 3.71Å; W480-I499 HydrophobicContact CZ3-CD1 4.09Å; A483-I499 HydrophobicContact CB-CD1 4.04Å; A483-I499 HydrophobicContact CB-CG1 3.47Å; A483-I499 VanDerWaalsContact CB-CG1 3.47Å; V491-I499 HydrophobicContact CB-CD1 4.36Å; V491-I499 HydrophobicContact CG1-CD1 3.75Å; V491-I499 HydrophobicContact CG2-CD1 4.2Å; E495-I499 WeakPolarHBondContact O-CG1 3.21Å; E495-I499 PolarHBondContact O-N 2.86Å; F496-I499 PolarHBondContact O-N 3.06Å; I499-W501 VanDerWaalsContact C-N 3.27Å; I499-W501 PolarHBondContact O-N 3.41Å; I499-L502 PolarHBondContact O-N 3.44Å; I499-I503 HydrophobicContact CG2-CD1 3.6Å; I499-I503 HydrophobicContact CG2-CG1 4.35Å; I499-I503 WeakPolarHBondContact O-CB 3.43Å; I499-I503 VanDerWaalsContact O-CG1 3.26Å; I499-I503 WeakPolarHBondContact O-CG1 3.48Å; I499-I503 PolarHBondContact O-N 2.91Å
500N90.6Very high86.1Confident10 Ų1046.1 Ų46.15%0.05322%0.219CC..Hα-helixtrans-64.5-34.3-179.7-78.2-89.9000112W443 F496 Y497 R504W443-N500 HydrophobicContact CD2-CB 3.73Å; W443-N500 HydrophobicContact CE3-CB 3.95Å; W443-N500 HydrophobicContact CG-CB 4.42Å; W443-N500 HydrophobicContact CH2-CB 3.98Å; W443-N500 HydrophobicContact CZ2-CB 3.73Å; W443-N500 HydrophobicContact CZ3-CB 4.08Å; F496-N500 WeakPolarHBondContact CD1-ND2 3.32Å; F496-N500 WeakPolarHBondContact CE1-ND2 3.24Å; F496-N500 WeakPolarHBondContact CE2-ND2 3.22Å; F496-N500 WeakPolarHBondContact CZ-ND2 3.4Å; F496-N500 PolarHBondContact O-N 3.29Å; F496-N500 PolarHBondContact O-ND2 3.45Å; Y497-N500 PolarHBondContact O-N 2.96Å; N500-R504 WeakPolarHBondContact O-CG 3.31Å; N500-R504 PolarHBondContact O-N 2.91Å; N500-R504 VanDerWaalsContact O-N 3.13Å
501W89Confident85.7Confident32 Ų3249.1 Ų49.112%0.12124%0.239CC..Hα-helixtrans-65.9-48174.9-175.387.9000111.6S429 V434 W443 Y497 L498 I499 I503 R504 S505 L520S429-W501 VanDerWaalsContact CB-CH2 3.45Å; S429-W501 WeakPolarHBondContact OG-CH2 3.42Å; S429-W501 WeakPolarHBondContact OG-CZ2 3.33Å; V434-W501 HydrophobicContact CB-CG 4.4Å; V434-W501 HydrophobicContact CG1-CB 4.02Å; V434-W501 HydrophobicContact CG1-CG 4.37Å; V434-W501 HydrophobicContact CG2-CB 4.22Å; V434-W501 HydrophobicContact CG2-CD2 3.93Å; V434-W501 HydrophobicContact CG2-CE3 4.49Å; V434-W501 HydrophobicContact CG2-CG 3.75Å; W443-W501 HydrophobicContact CH2-CB 3.81Å; W443-W501 HydrophobicContact CZ3-CB 4.01Å; Y497-W501 VanDerWaalsContact O-CB 3.27Å; Y497-W501 WeakPolarHBondContact O-CB 3.25Å; Y497-W501 PolarHBondContact O-N 3.28Å; L498-W501 HydrophobicContact CD1-CE3 4.46Å; L498-W501 PolarHBondContact O-N 3.35Å; I499-W501 VanDerWaalsContact C-N 3.27Å; I499-W501 PolarHBondContact O-N 3.41Å; W501-I503 PolarHBondContact O-N 3.18Å; W501-R504 PolarHBondContact O-N 3.42Å; W501-S505 PolarHBondContact O-N 2.95Å; W501-S505 PolarHBondContact O-OG 3.27Å; W501-L520 HydrophobicContact CD2-CD2 4.18Å; W501-L520 HydrophobicContact CE3-CD1 4.33Å; W501-L520 HydrophobicContact CE3-CD2 3.73Å; W501-L520 HydrophobicContact CH2-CD1 3.83Å; W501-L520 HydrophobicContact CH2-CD2 3.88Å; W501-L520 HydrophobicContact CH2-CG 4.43Å; W501-L520 HydrophobicContact CZ2-CD2 4.24Å; W501-L520 HydrophobicContact CZ3-CD1 3.47Å; W501-L520 VanDerWaalsContact CZ3-CD1 3.47Å; W501-L520 HydrophobicContact CZ3-CD2 3.57Å; W501-L520 HydrophobicContact CZ3-CG 4.18Å
502L90Very high85.4Confident3 Ų351 Ų512%0.01625%0.248CC..Hα-helixtrans-62-43.6177.1-73.1171.3000112I479 L482 L498 I499 R504 S505 V506 L512 L516I479-L502 HydrophobicContact CG1-CB 4.23Å; I479-L502 HydrophobicContact CG2-CB 3.79Å; I479-L502 HydrophobicContact CG2-CD1 4.07Å; L482-L502 HydrophobicContact CB-CD1 4.03Å; L482-L502 HydrophobicContact CD1-CD1 4.27Å; L498-L502 HydrophobicContact CD1-CD1 4.45Å; L498-L502 HydrophobicContact CD1-CG 4.42Å; L498-L502 HydrophobicContact CG-CD1 4.13Å; L498-L502 WeakPolarHBondContact O-CB 3.38Å; L498-L502 WeakPolarHBondContact O-CG 3.38Å; L498-L502 PolarHBondContact O-N 3.03Å; I499-L502 PolarHBondContact O-N 3.44Å; L502-R504 VanDerWaalsContact C-N 3.29Å; L502-R504 PolarHBondContact O-N 3.27Å; L502-S505 WeakPolarHBondContact O-CB 3.36Å; L502-S505 PolarHBondContact O-N 3.41Å; L502-V506 WeakPolarHBondContact O-CG2 3.3Å; L502-V506 PolarHBondContact O-N 2.82Å; L502-L512 HydrophobicContact CB-CD2 4.44Å; L502-L512 HydrophobicContact CD2-CD2 4.19Å; L502-L516 HydrophobicContact CD1-CD1 4.32Å
503I88.8Confident84.9Confident6 Ų651.2 Ų51.23%0.03125%0.252CS..Hα-helixtrans-55.2-47.6174.5-72.4165.4000110.3L466 T469 L471 L476 I479 I499 W501 V506 M507L466-I503 HydrophobicContact CD2-CD1 3.48Å; L466-I503 VanDerWaalsContact CD2-CD1 3.48Å; T469-I503 HydrophobicContact CG2-CD1 4.25Å; T469-I503 HydrophobicContact CG2-CG2 3.62Å; L471-I503 HydrophobicContact CD1-CB 4.42Å; L471-I503 HydrophobicContact CD1-CG1 4.35Å; L471-I503 HydrophobicContact CD1-CG2 4.02Å; L476-I503 HydrophobicContact CD2-CD1 4.49Å; L476-I503 HydrophobicContact CD2-CG1 4.44Å; I479-I503 HydrophobicContact CD1-CG1 3.85Å; I479-I503 HydrophobicContact CG2-CG1 4.32Å; I499-I503 HydrophobicContact CG2-CD1 3.6Å; I499-I503 HydrophobicContact CG2-CG1 4.35Å; I499-I503 WeakPolarHBondContact O-CB 3.43Å; I499-I503 VanDerWaalsContact O-CG1 3.26Å; I499-I503 WeakPolarHBondContact O-CG1 3.48Å; I499-I503 PolarHBondContact O-N 2.91Å; W501-I503 PolarHBondContact O-N 3.18Å; I503-V506 PolarHBondContact O-N 3Å; I503-M507 HydrophobicContact CG2-CG 4.46Å; I503-M507 HydrophobicContact CG2-SD 4Å; I503-M507 VanDerWaalsContact O-CG 3.3Å; I503-M507 WeakPolarHBondContact O-CG 3.38Å; I503-M507 PolarHBondContact O-N 3.38Å
504R86Confident84.3Confident81 Ų8156 Ų5631%0.30628%0.279SS..Hα-helixtrans-68.2-36179.5-78.2177.9164.5-161-11.5113.6N441 N500 W501 L502 V506 M507 R508N441-R504 VanDerWaalsContact CG-CZ 3.45Å; N441-R504 PolarHBondContact ND2-NH1 3.32Å; N441-R504 VanDerWaalsContact OD1-CZ 3.24Å; N441-R504 PolarHBondContact OD1-NH1 2.92Å; N441-R504 PolarHBondContact OD1-NH2 3.5Å; N500-R504 WeakPolarHBondContact O-CG 3.31Å; N500-R504 PolarHBondContact O-N 2.91Å; N500-R504 VanDerWaalsContact O-N 3.13Å; W501-R504 PolarHBondContact O-N 3.42Å; L502-R504 VanDerWaalsContact C-N 3.29Å; L502-R504 PolarHBondContact O-N 3.27Å; R504-V506 VanDerWaalsContact C-N 3.32Å; R504-M507 PolarHBondContact O-N 2.97Å; R504-R508 VanDerWaalsContact O-CG 3.28Å; R504-R508 WeakPolarHBondContact O-CG 3.49Å; R504-R508 PolarHBondContact O-N 3.16Å
505S82.7Confident83.9Confident13 Ų1360.8 Ų60.89%0.09130%0.303CS..Hα-helixtrans-58.9-46.1172.1-82.70000110.9W501 L502 R508 Q510W501-S505 PolarHBondContact O-N 2.95Å; W501-S505 PolarHBondContact O-OG 3.27Å; L502-S505 WeakPolarHBondContact O-CB 3.36Å; L502-S505 PolarHBondContact O-N 3.41Å; S505-R508 PolarHBondContact O-N 2.93Å; S505-R508 VanDerWaalsContact O-N 3.17Å; S505-Q510 VanDerWaalsContact O-CB 3.27Å; S505-Q510 WeakPolarHBondContact O-CB 3.35Å; S505-Q510 PolarHBondContact O-N 3.33Å; S505-Q510 PolarHBondContact OG-OE1 2.98Å
506V83.7Confident83.3Confident31 Ų3160.6 Ų60.619%0.18830%0.303CS..Hα-helixtrans-64.6-43.6176.6177.10000112L471 T475 I479 L502 I503 R504 R508 G509 L512L471-V506 HydrophobicContact CD1-CB 4.37Å; L471-V506 HydrophobicContact CD1-CG1 4.22Å; L471-V506 HydrophobicContact CD2-CG1 3.76Å; T475-V506 HydrophobicContact CG2-CG1 4.12Å; I479-V506 HydrophobicContact CD1-CG2 4.28Å; L502-V506 WeakPolarHBondContact O-CG2 3.3Å; L502-V506 PolarHBondContact O-N 2.82Å; I503-V506 PolarHBondContact O-N 3Å; R504-V506 VanDerWaalsContact C-N 3.32Å; V506-R508 PolarHBondContact O-N 3.34Å; V506-G509 PolarHBondContact O-N 3.11Å; V506-L512 HydrophobicContact CG2-CD1 3.82Å; V506-L512 HydrophobicContact CG2-CD2 3.71Å; V506-L512 HydrophobicContact CG2-CG 3.47Å; V506-L512 VanDerWaalsContact CG2-CG 3.47Å
507M78.3Confident82.5Confident118 Ų11863 Ų6358%0.58132%0.318SS*.Hα-helixtrans-64.4-19176.4-67.8-177.888.200113.3T469 L471 I503 R504 G509T469-M507 WeakPolarHBondContact O-CE 3.22Å; L471-M507 HydrophobicContact CD2-CG 4.32Å; I503-M507 HydrophobicContact CG2-CG 4.46Å; I503-M507 HydrophobicContact CG2-SD 4Å; I503-M507 VanDerWaalsContact O-CG 3.3Å; I503-M507 WeakPolarHBondContact O-CG 3.38Å; I503-M507 PolarHBondContact O-N 3.38Å; R504-M507 PolarHBondContact O-N 2.97Å; M507-G509 VanDerWaalsContact C-N 3.32Å
508R77Confident81.6Confident202 Ų20270.2 Ų70.276%0.76235%0.35SS*.THydrogen-bonded Turntrans-89.57.3172.6-71.2174-177.4-172.2-0.9113.4R504 S505 V506R504-R508 VanDerWaalsContact O-CG 3.28Å; R504-R508 WeakPolarHBondContact O-CG 3.49Å; R504-R508 PolarHBondContact O-N 3.16Å; S505-R508 PolarHBondContact O-N 2.93Å; S505-R508 VanDerWaalsContact O-N 3.17Å; V506-R508 PolarHBondContact O-N 3.34Å
509G75.5Confident80.6Confident68 Ų6873.5 Ų73.570%0.70137%0.367SS*.THydrogen-bonded Turntrans84.98.718000000114.8V506 M507V506-G509 PolarHBondContact O-N 3.11Å; M507-G509 VanDerWaalsContact C-N 3.32Å
510Q75.8Confident79.7Confident103 Ų10373.6 Ų73.648%0.48137%0.368SS..PPolyproline II helixtrans-77.5136.5174.4-58.2-172.9-43.900110.7S505S505-Q510 VanDerWaalsContact O-CB 3.27Å; S505-Q510 WeakPolarHBondContact O-CB 3.35Å; S505-Q510 PolarHBondContact O-N 3.33Å; S505-Q510 PolarHBondContact OG-OE1 2.98Å
511Q78.4Confident78.8Confident189 Ų18976.8 Ų76.888%0.88338%0.379SS*.PPolyproline II helixtrans-73.4143172.7-66.1-171.8-3.900110.9
512L80Confident77.9Confident40 Ų4076.2 Ų76.221%0.20938%0.379CS..PPolyproline II helixtrans-69.9136.4175.4-78.3158.1000110.1T475 I479 L482 L502 V506T475-L512 HydrophobicContact CG2-CD1 3.63Å; I479-L512 HydrophobicContact CD1-CD1 4.28Å; I479-L512 HydrophobicContact CD1-CD2 4.34Å; I479-L512 HydrophobicContact CG1-CD1 3.81Å; I479-L512 HydrophobicContact CG1-CD2 3.58Å; I479-L512 HydrophobicContact CG1-CG 4.34Å; L482-L512 HydrophobicContact CD1-CD2 3.99Å; L502-L512 HydrophobicContact CB-CD2 4.44Å; L502-L512 HydrophobicContact CD2-CD2 4.19Å; V506-L512 HydrophobicContact CG2-CD1 3.82Å; V506-L512 HydrophobicContact CG2-CD2 3.71Å; V506-L512 HydrophobicContact CG2-CG 3.47Å; V506-L512 VanDerWaalsContact CG2-CG 3.47Å
513P77.9Confident76.6Confident42 Ų4278.7 Ų78.727%0.27340%0.396SS..PPolyproline II helixtrans-72.1149.2171.631.4-33.8000110.7H478 L482 E515H478-P513 PolarHBondContact NE2-O 2.84Å; L482-P513 HydrophobicContact CD1-CG 4.38Å; P513-E515 VanDerWaalsContact C-N 3.31Å; P513-E515 WeakPolarHBondContact CB-O 3.43Å
514D77.3Confident75Confident146 Ų14686.6 Ų86.678%0.78143%0.433SS*.SBendtrans-67.8-34.2173.8-64.7-38.7000111.8
515E77Confident73.2Confident158 Ų15890.5 Ų90.574%0.73846%0.459SS*.SBendtrans-129.8139.5174.5-67.8-170172.500110.9P513 P517P513-E515 VanDerWaalsContact C-N 3.31Å; P513-E515 WeakPolarHBondContact CB-O 3.43Å; E515-P517 WeakPolarHBondContact O-CD 3.47Å; E515-P517 VanDerWaalsContact O-N 3.16Å
516L78.1Confident71.6Confident12 Ų1293.5 Ų93.56%0.06347%0.471CS..  trans-64116.6179.6-164.680.3000110.9L482 L498 L502 K518 L520 R521L482-L516 HydrophobicContact CB-CD1 4.4Å; L482-L516 HydrophobicContact CD2-CB 4.4Å; L498-L516 HydrophobicContact CD1-CD1 4.15Å; L498-L516 HydrophobicContact CD2-CD1 4.04Å; L498-L516 HydrophobicContact CD2-CD2 3.52Å; L498-L516 HydrophobicContact CD2-CG 4.44Å; L498-L516 HydrophobicContact CG-CD1 4.45Å; L502-L516 HydrophobicContact CD1-CD1 4.32Å; L516-K518 PolarHBondContact O-N 2.93Å; L516-L520 HydrophobicContact CD1-CB 4.02Å; L516-L520 HydrophobicContact CD1-CD1 4.16Å; L516-L520 HydrophobicContact CD2-CB 4.18Å; L516-L520 HydrophobicContact CG-CB 3.88Å; L516-R521 HydrophobicContact CD2-CG 3.91Å; L516-R521 PolarHBondContact O-NH2 3.48Å
517P74.8Confident69.3Low51 Ų5194.5 Ų94.533%0.33149%0.488SS..  trans-50.6138.3176.4-26.833.3000111.3E515 L519 L520E515-P517 WeakPolarHBondContact O-CD 3.47Å; E515-P517 VanDerWaalsContact O-N 3.16Å; P517-L519 PolarHBondContact O-N 2.99Å; P517-L520 HydrophobicContact CG-CD1 4.09Å; P517-L520 WeakPolarHBondContact O-CB 3.37Å; P517-L520 PolarHBondContact O-N 2.87Å
518K71.7Confident67.2Low168 Ų16898.7 Ų98.773%0.7350%0.502SS*.G310 helixtrans-51.7-30.8-177-73.9-176.8-179.5178.10113.5L516 R521L516-K518 PolarHBondContact O-N 2.93Å; K518-R521 WeakPolarHBondContact O-CB 3.35Å; K518-R521 PolarHBondContact O-N 3.15Å
519L68.9Low65Low69 Ų6994.6 Ų94.636%0.36150%0.5SS..G310 helixtrans-77.3-21.7-176.9-69.4143.7000113.7Q428 S429 N430 W431 P517 R521Q428-L519 HydrophobicContact CB-CB 4.38Å; Q428-L519 HydrophobicContact CB-CD1 3.66Å; Q428-L519 HydrophobicContact CG-CD1 3.4Å; S429-L519 CarbonylContact O-C 3.37Å; N430-L519 CarbonylContact C-O 3.07Å; N430-L519 VanDerWaalsContact CA-O 3.28Å; N430-L519 WeakPolarHBondContact CA-O 3.3Å; W431-L519 PolarHBondContact N-O 2.96Å; P517-L519 PolarHBondContact O-N 2.99Å; L519-R521 VanDerWaalsContact C-N 3.26Å
520L73Confident62.6Low4 Ų497 Ų972%0.02151%0.505CS..G310 helixtrans-79.5-10174.6-90.4168.2000114S429 V434 L498 W501 L516 P517S429-L520 VanDerWaalsContact CB-CG 3.42Å; S429-L520 WeakPolarHBondContact O-CA 3.41Å; S429-L520 VanDerWaalsContact O-CD2 3.25Å; S429-L520 WeakPolarHBondContact O-CD2 3.45Å; S429-L520 WeakPolarHBondContact O-CG 3.47Å; S429-L520 PolarHBondContact O-N 2.79Å; S429-L520 VanDerWaalsContact O-N 3.12Å; V434-L520 HydrophobicContact CG2-CD2 3.63Å; L498-L520 HydrophobicContact CD1-CB 4.37Å; L498-L520 HydrophobicContact CD1-CD2 4.03Å; W501-L520 HydrophobicContact CD2-CD2 4.18Å; W501-L520 HydrophobicContact CE3-CD1 4.33Å; W501-L520 HydrophobicContact CE3-CD2 3.73Å; W501-L520 HydrophobicContact CH2-CD1 3.83Å; W501-L520 HydrophobicContact CH2-CD2 3.88Å; W501-L520 HydrophobicContact CH2-CG 4.43Å; W501-L520 HydrophobicContact CZ2-CD2 4.24Å; W501-L520 HydrophobicContact CZ3-CD1 3.47Å; W501-L520 VanDerWaalsContact CZ3-CD1 3.47Å; W501-L520 HydrophobicContact CZ3-CD2 3.57Å; W501-L520 HydrophobicContact CZ3-CG 4.18Å; L516-L520 HydrophobicContact CD1-CB 4.02Å; L516-L520 HydrophobicContact CD1-CD1 4.16Å; L516-L520 HydrophobicContact CD2-CB 4.18Å; L516-L520 HydrophobicContact CG-CB 3.88Å; P517-L520 HydrophobicContact CG-CD1 4.09Å; P517-L520 WeakPolarHBondContact O-CB 3.37Å; P517-L520 PolarHBondContact O-N 2.87Å
521R71.3Confident60.3Low76 Ų7697.5 Ų97.529%0.28752%0.517SS..SBendtrans-71.4133.3-174.5-67.6170.1-175-168.74109.1R485 L516 K518 L519R485-R521 VanDerWaalsContact CZ-CD 3.49Å; R485-R521 VanDerWaalsContact NH1-CD 3.34Å; L516-R521 HydrophobicContact CD2-CG 3.91Å; L516-R521 PolarHBondContact O-NH2 3.48Å; K518-R521 WeakPolarHBondContact O-CB 3.35Å; K518-R521 PolarHBondContact O-N 3.15Å; L519-R521 VanDerWaalsContact C-N 3.26Å
522P69.4Low58Low20 Ų2094.3 Ų94.313%0.1351%0.511CS..PPolyproline II helixtrans-52.3140.5165.8-18.325.8000110.4W431 E524W431-P522 HydrophobicContact CD2-CB 4.18Å; W431-P522 HydrophobicContact CE3-CB 4.1Å; W431-P522 HydrophobicContact CE3-CG 3.93Å; W431-P522 HydrophobicContact CH2-CB 4.06Å; W431-P522 HydrophobicContact CH2-CG 3.8Å; W431-P522 HydrophobicContact CZ2-CB 4.08Å; W431-P522 HydrophobicContact CZ2-CG 4.33Å; W431-P522 HydrophobicContact CZ3-CB 4.05Å; W431-P522 HydrophobicContact CZ3-CG 3.55Å; P522-E524 PolarHBondContact O-N 3.25Å
523P62.9Low55.5Low56 Ų56102 Ų10236%0.36454%0.542SS..PPolyproline II helixtrans-52.5135.1174.7-2530.1000110.5W431 L525 H526W431-P523 VanDerWaalsContact CG-CD 3.43Å; W431-P523 HydrophobicContact CG-CG 4.24Å; P523-L525 PolarHBondContact O-N 3.42Å; P523-H526 PolarHBondContact O-N 2.94Å; P523-H526 VanDerWaalsContact O-N 3.09Å
524E56.3Low53.3Low172 Ų172109.6 Ų109.680%0.80457%0.571SS**G310 helixtrans-59.9-14.1-174.5-63.5-173.5164.100113.5P522 H526 G527P522-E524 PolarHBondContact O-N 3.25Å; E524-H526 PolarHBondContact O-N 3.21Å; E524-H526 VanDerWaalsContact O-N 3.15Å; E524-G527 PolarHBondContact O-N 3.45Å; E524-G527 VanDerWaalsContact O-N 3.08Å
525L46.9Very low50.9Low163 Ų163106.1 Ų106.185%0.85357%0.57SS**G310 helixtrans-66.5-7.4174-72.6160000114.7P523P523-L525 PolarHBondContact O-N 3.42Å
526H50.4Low48.9Very low75 Ų75106.2 Ų106.235%0.34757%0.574SS.*G310 helixtrans-97.51.4172.3-64.3-51.8000114.2Y494 P523 E524 K528Y494-H526 HydrophobicContact CD2-CB 3.52Å; Y494-H526 AromaticContact CD2-CD2 3.67Å; Y494-H526 AromaticContact CD2-CG 3.45Å; Y494-H526 VanDerWaalsContact CD2-CG 3.45Å; Y494-H526 AromaticContact CE1-NE2 3.88Å; Y494-H526 HydrophobicContact CE2-CB 3.56Å; Y494-H526 AromaticContact CE2-CD2 3.35Å; Y494-H526 WeakPolarHBondContact CE2-CD2 3.34Å; Y494-H526 AromaticContact CE2-CE1 3.49Å; Y494-H526 VanDerWaalsContact CE2-CE1 3.49Å; Y494-H526 WeakPolarHBondContact CE2-CE1 3.37Å; Y494-H526 AromaticContact CE2-CG 3.04Å; Y494-H526 AromaticContact CE2-ND1 3.15Å; Y494-H526 WeakPolarHBondContact CE2-ND1 3.41Å; Y494-H526 AromaticContact CE2-NE2 3.63Å; Y494-H526 AromaticContact CZ-CD2 3.5Å; Y494-H526 AromaticContact CZ-CE1 3.3Å; Y494-H526 AromaticContact CZ-CG 3.63Å; Y494-H526 AromaticContact CZ-ND1 3.51Å; Y494-H526 AromaticContact CZ-NE2 3.3Å; Y494-H526 VanDerWaalsContact CZ-NE2 3.3Å; Y494-H526 PolarHBondContact OH-CE1 3.31Å; Y494-H526 PolarHBondContact OH-ND1 3.07Å; Y494-H526 PolarHBondContact OH-NE2 3.48Å; P523-H526 PolarHBondContact O-N 2.94Å; P523-H526 VanDerWaalsContact O-N 3.09Å; E524-H526 PolarHBondContact O-N 3.21Å; E524-H526 VanDerWaalsContact O-N 3.15Å; H526-K528 PolarHBondContact O-N 2.64Å
527G34.3Very low46.7Very low52 Ų52115 Ų11554%0.53661%0.611SS.*  trans-71.477.5163.100000110.8E524 T529E524-G527 PolarHBondContact O-N 3.45Å; E524-G527 VanDerWaalsContact O-N 3.08Å; G527-T529 PolarHBondContact O-N 3.36Å
528K34.3Very low44.5Very low206 Ų206121.5 Ų121.590%0.89664%0.637SS**  trans-6788.5153.4-85.2-171.9180178.50106.9H526 C530H526-K528 PolarHBondContact O-N 2.64Å; K528-C530 PolarHBondContact O-N 3.32Å
529T30.1Very low42.7Very low116 Ų116123.6 Ų123.671%0.71265%0.646SS**  trans-39.8123.9160.844.40000109.1G527G527-T529 PolarHBondContact O-N 3.36Å
530C26.3Very low41Very low119 Ų119130.2 Ų130.280%0.80467%0.672SS**PPolyproline II helixtrans-53124.5148.1-88.60000105.9K528 T532K528-C530 PolarHBondContact O-N 3.32Å; C530-T532 PolarHBondContact O-N 2.69Å
531P27.3Very low39.1Very low113 Ų113140.6 Ų140.673%0.73471%0.713SS**PPolyproline II helixtrans-59.9118.5-175.121.9-30.2000108.2K533P531-K533 PolarHBondContact O-N 3.14Å; P531-K533 VanDerWaalsContact O-N 3.08Å
532T28.9Very low37.6Very low122 Ų122145.7 Ų145.775%0.74874%0.737SS**PPolyproline II helixtrans-54.6118.215732.40000106C530 K534C530-T532 PolarHBondContact O-N 2.69Å; T532-K534 PolarHBondContact O-N 3.1Å
533K29.2Very low36.2Very low202 Ų202150.2 Ų150.288%0.87877%0.767SS**  trans-57.389.5173.3-74.2179.9175.2177.90108.6P531P531-K533 PolarHBondContact O-N 3.14Å; P531-K533 VanDerWaalsContact O-N 3.08Å
534K30.5Very low35.2Very low201 Ų201159.4 Ų159.487%0.87479%0.794SS**  trans-87.4118.9155.1-79.9-172.3176-179.50106.9T532T532-K534 PolarHBondContact O-N 3.1Å
535G28.2Very low34.8Very low73 Ų73160.1 Ų160.175%0.75379%0.794SS**  trans100.971.8165.500000115.5
536I33.4Very low34.5Very low160 Ų160158.1 Ų158.182%0.82179%0.791SS**  trans-121128.3138.6-62.6-179.2000107.8
537K32.5Very low34.4Very low197 Ų197164.6 Ų164.686%0.85782%0.818SS**  trans-62140.2-171.5-64.5168.5174177.30112.1
538Q27.6Very low35.1Very low188 Ų188167.7 Ų167.788%0.87983%0.827SS**  trans19.6115.4147.1-62.1177.8200118.1
539K35.1Very low35.5Very low211 Ų211165.1 Ų165.192%0.91782%0.823SS**  trans-137.1122.4131.9-85.2-170.5178.31750109.3Y541K539-Y541 PolarHBondContact O-N 3.48Å
540K32.4Very low36.3Very low209 Ų209173.1 Ų173.191%0.90985%0.848SS**  trans-50.4120.2175.2-74.4173.2171.9174.20110.4
541Y32.9Very low36.8Very low221 Ų221175.9 Ų175.987%0.86785%0.85SS**  trans-93.2112.5162.1-147.9-97.6000107.9K539K539-Y541 PolarHBondContact O-N 3.48Å
542K39.9Very low37.3Very low183 Ų183179.2 Ų179.280%0.79686%0.856SS**  trans-74.6135.9171.8-80.9-179.6174.5179.10108.6R544K542-R544 PolarHBondContact O-N 3.44Å
543P40.5Very low37.7Very low116 Ų116182.3 Ų182.375%0.75386%0.862SS**  trans-70128.8173.528.1-30.3000109.6K545P543-K545 PolarHBondContact O-N 3.18Å
544R41.6Very low38.2Very low248 Ų248181.2 Ų181.294%0.93686%0.861SS**  trans-72.5110.5165.3-82.6-176.2173.1-177.5-2.3107.6K542K542-R544 PolarHBondContact O-N 3.44Å
545K47.7Very low38.7Very low187 Ų187179.9 Ų179.981%0.81386%0.86SS**  trans-62143.5166.9-72.1-176.8174.6-175.50109.7P543P543-K545 PolarHBondContact O-N 3.18Å
546P41.7Very low39.4Very low121 Ų121187.1 Ų187.179%0.78687%0.867SS**  trans-71.1134166.531-29.9000108.6
547K48.5Very low39.9Very low211 Ų211189 Ų18992%0.91787%0.871SS**  trans-97.8111.7164.9-86.6-171.5174.1-175.30108
548V47.5Very low40.4Very low117 Ų117188.4 Ų188.471%0.70987%0.872SS**  trans-95.5154.2161.5171.90000107.2
549N43.8Very low41.5Very low153 Ų153188.4 Ų188.482%0.81887%0.871SS**  trans92.792.8174.2-58.3-25.5000116.4
550K46.3Very low42.1Very low284 Ų284186.4 Ų186.4100%1.23587%0.867SS**  -146074.5-100.3-176.8176.7-1780109.6

Retrieved 550 of 550 residues in 301.4 ms (Link to these results)

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