A0A3Q0KKQ9_SCHMA Loading...

DNA polymerase II subunit 2

AlphaFold DB (A0A5K4EKF4), UniProt , Accession A0A3Q0KKQ9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 622 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
1M52.2Low76.6Confident226 Ų22679.5 Ų79.5100%1.11341%0.406SS*.  01160-76.7-175.3-169.100108.9R39M1-R39 PolarHBondContact O-NH1 3.42Å
2E65.6Low77.4Confident189 Ų18972.9 Ų72.988%0.88337%0.373SS*.PPolyproline II helixtrans-63.9137.4167.2-69.8-175.8156.800109.2
3V70.2Confident78.2Confident21 Ų2177.1 Ų77.113%0.12739%0.387CS..PPolyproline II helixtrans-78.2122.4175.1-179.20000107.1D7 I8 L28 V31V3-D7 HydrophobicContact CG1-CB 4.33Å; V3-I8 HydrophobicContact CG1-CD1 4.1Å; V3-I8 HydrophobicContact CG1-CG1 3.98Å; V3-L28 HydrophobicContact CB-CD1 3.86Å; V3-L28 HydrophobicContact CG1-CD1 3.83Å; V3-L28 WeakPolarHBondContact O-CD1 3.14Å; V3-V31 HydrophobicContact CG2-CG1 4.5Å
4S80.3Confident78.8Confident46 Ų4682.2 Ų82.232%0.32242%0.415SS..PPolyproline II helixtrans-80.5154.9175.578.60000110.6S6 D7S4-S6 PolarHBondContact O-N 3.34Å; S4-S6 PolarHBondContact OG-N 2.64Å; S4-S6 PolarHBondContact OG-OG 3.05Å; S4-D7 WeakPolarHBondContact CB-OD2 3.45Å; S4-D7 PolarHBondContact N-OD2 3.06Å; S4-D7 PolarHBondContact O-N 2.79Å; S4-D7 PolarHBondContact OG-N 3.43Å; S4-D7 PolarHBondContact OG-OD2 3.2Å
5K77.7Confident79Confident94 Ų9482.3 Ų82.341%0.40942%0.417SS..Hα-helixtrans-54.5-35.7171.6-170.2179.6177.3178.60111.9D7 I8 D9 S24K5-D7 VanDerWaalsContact C-N 3.25Å; K5-D7 PolarHBondContact O-N 3.3Å; K5-I8 PolarHBondContact O-N 2.97Å; K5-D9 PolarHBondContact O-N 3.36Å; K5-D9 VanDerWaalsContact O-N 3.09Å; K5-S24 WeakPolarHBondContact CE-OG 3.34Å; K5-S24 WeakPolarHBondContact CG-OG 3.15Å
6S78.9Confident79.4Confident60 Ų6079.4 Ų79.442%0.4241%0.413SS..Hα-helixtrans-63.6-30.2179.381.60000113.1S4 I8 K10S4-S6 PolarHBondContact O-N 3.34Å; S4-S6 PolarHBondContact OG-N 2.64Å; S4-S6 PolarHBondContact OG-OG 3.05Å; S6-I8 VanDerWaalsContact C-N 3.31Å; S6-I8 PolarHBondContact O-N 3.36Å; S6-K10 WeakPolarHBondContact O-CB 3.45Å; S6-K10 WeakPolarHBondContact O-CD 3.41Å; S6-K10 WeakPolarHBondContact O-CG 3.39Å; S6-K10 PolarHBondContact O-N 3.45Å
7D81.8Confident79.8Confident67 Ų6775.2 Ų75.236%0.35839%0.392SS..Hα-helixtrans-76.5-22.2-179-59.7-43.3000112.6V3 S4 K5 K10 P11V3-D7 HydrophobicContact CG1-CB 4.33Å; S4-D7 WeakPolarHBondContact CB-OD2 3.45Å; S4-D7 PolarHBondContact N-OD2 3.06Å; S4-D7 PolarHBondContact O-N 2.79Å; S4-D7 PolarHBondContact OG-N 3.43Å; S4-D7 PolarHBondContact OG-OD2 3.2Å; K5-D7 VanDerWaalsContact C-N 3.25Å; K5-D7 PolarHBondContact O-N 3.3Å; D7-K10 IonicContact OD1-NZ 3.06Å; D7-K10 PolarHBondContact OD1-NZ 3.49Å; D7-P11 WeakPolarHBondContact O-CD 3.34Å
8I82.4Confident80.2Confident0 Ų077.7 Ų77.70%040%0.399CS..Hα-helixtrans-85.6-41.5174.6-65176.1000110.8V3 K5 S6 K10 P11 F12 L19 I27 L28 L43V3-I8 HydrophobicContact CG1-CD1 4.1Å; V3-I8 HydrophobicContact CG1-CG1 3.98Å; K5-I8 PolarHBondContact O-N 2.97Å; S6-I8 VanDerWaalsContact C-N 3.31Å; S6-I8 PolarHBondContact O-N 3.36Å; I8-K10 VanDerWaalsContact C-N 3.32Å; I8-K10 PolarHBondContact O-N 2.89Å; I8-P11 WeakPolarHBondContact O-CD 3.28Å; I8-F12 VanDerWaalsContact O-CD2 3.32Å; I8-F12 WeakPolarHBondContact O-CD2 3.17Å; I8-L19 HydrophobicContact CG2-CD1 4.01Å; I8-I27 HydrophobicContact CD1-CG2 4.38Å; I8-I27 HydrophobicContact CG2-CB 4.09Å; I8-I27 HydrophobicContact CG2-CG2 3.69Å; I8-L28 HydrophobicContact CD1-CB 3.43Å; I8-L28 VanDerWaalsContact CD1-CB 3.43Å; I8-L28 HydrophobicContact CD1-CD1 3.34Å; I8-L28 HydrophobicContact CD1-CG 3.96Å; I8-L28 HydrophobicContact CG1-CD1 4.47Å; I8-L43 HydrophobicContact CG2-CD2 4.21Å
9D83.6Confident80.5Confident29 Ų2974.9 Ų74.916%0.15539%0.385CS..Hα-helixtrans-69.8-30.2-178.1-67.9-11.4000112.1K5 F12 K13 S24K5-D9 PolarHBondContact O-N 3.36Å; K5-D9 VanDerWaalsContact O-N 3.09Å; D9-F12 PolarHBondContact O-N 3.32Å; D9-K13 WeakPolarHBondContact O-CB 3.48Å; D9-K13 WeakPolarHBondContact O-CG 3.36Å; D9-K13 PolarHBondContact O-N 3.04Å; D9-S24 WeakPolarHBondContact OD1-CB 3.37Å; D9-S24 PolarHBondContact OD1-OG 3.38Å
10K86.2Confident80.8Confident112 Ų11271.6 Ų71.649%0.48737%0.369SS..Hα-helixtrans-54.8-55.1-179.7-84.5167-164.8163.80113.6S6 D7 I8 F12 K13 L14S6-K10 WeakPolarHBondContact O-CB 3.45Å; S6-K10 WeakPolarHBondContact O-CD 3.41Å; S6-K10 WeakPolarHBondContact O-CG 3.39Å; S6-K10 PolarHBondContact O-N 3.45Å; D7-K10 IonicContact OD1-NZ 3.06Å; D7-K10 PolarHBondContact OD1-NZ 3.49Å; I8-K10 VanDerWaalsContact C-N 3.32Å; I8-K10 PolarHBondContact O-N 2.89Å; K10-F12 VanDerWaalsContact C-N 3.27Å; K10-F12 PolarHBondContact O-N 3.34Å; K10-K13 PolarHBondContact O-N 3.33Å; K10-L14 WeakPolarHBondContact O-CG 3.44Å; K10-L14 PolarHBondContact O-N 3.09Å
11P84.1Confident81Confident30 Ų3071.8 Ų71.820%0.19538%0.375CS..Hα-helixtrans-55.1-37.9177-26.429000114.7D7 I8 N15 L43 V47D7-P11 WeakPolarHBondContact O-CD 3.34Å; I8-P11 WeakPolarHBondContact O-CD 3.28Å; P11-N15 PolarHBondContact O-ND2 3.11Å; P11-L43 HydrophobicContact CG-CB 4.46Å; P11-L43 HydrophobicContact CG-CD1 4.41Å; P11-V47 HydrophobicContact CB-CG2 4.34Å
12F86.3Confident82.7Confident1 Ų164.5 Ų64.50%0.00434%0.341CS..Hα-helixtrans-72.8-45.6179.7-75.4-99.3000111I8 D9 K10 L14 N15 G16 L17 L19 I27 L43 L46 V47 I50I8-F12 VanDerWaalsContact O-CD2 3.32Å; I8-F12 WeakPolarHBondContact O-CD2 3.17Å; D9-F12 PolarHBondContact O-N 3.32Å; K10-F12 VanDerWaalsContact C-N 3.27Å; K10-F12 PolarHBondContact O-N 3.34Å; F12-L14 VanDerWaalsContact C-N 3.29Å; F12-L14 PolarHBondContact O-N 2.91Å; F12-N15 CarbonylContact O-C 3.24Å; F12-N15 WeakPolarHBondContact O-CA 3.45Å; F12-N15 PolarHBondContact O-N 3.17Å; F12-G16 PolarHBondContact O-N 3.11Å; F12-L17 CarbonylContact C-O 3.22Å; F12-L17 VanDerWaalsContact C-O 3.22Å; F12-L17 HydrophobicContact CB-CB 4.15Å; F12-L17 HydrophobicContact CD1-CB 4.18Å; F12-L17 HydrophobicContact CD1-CD1 4.11Å; F12-L17 WeakPolarHBondContact O-CB 3.42Å; F12-L17 PolarHBondContact O-N 3.49Å; F12-L19 HydrophobicContact CB-CD1 4.08Å; F12-L19 HydrophobicContact CB-CG 4.16Å; F12-L19 HydrophobicContact CD1-CD1 4.02Å; F12-L19 HydrophobicContact CD1-CD2 3.94Å; F12-L19 HydrophobicContact CD1-CG 3.8Å; F12-L19 HydrophobicContact CD2-CD1 3.46Å; F12-L19 VanDerWaalsContact CD2-CD1 3.46Å; F12-L19 HydrophobicContact CD2-CG 4.18Å; F12-L19 HydrophobicContact CE1-CD1 4.32Å; F12-L19 HydrophobicContact CE1-CD2 3.86Å; F12-L19 HydrophobicContact CE1-CG 4.2Å; F12-L19 HydrophobicContact CE2-CD1 3.81Å; F12-L19 HydrophobicContact CG-CD1 3.57Å; F12-L19 HydrophobicContact CG-CD2 4.35Å; F12-L19 HydrophobicContact CG-CG 3.77Å; F12-L19 HydrophobicContact CZ-CD1 4.22Å; F12-L19 HydrophobicContact CZ-CD2 4.22Å; F12-I27 HydrophobicContact CE1-CD1 4.37Å; F12-I27 HydrophobicContact CE2-CD1 3.94Å; F12-I27 HydrophobicContact CZ-CD1 3.57Å; F12-L43 HydrophobicContact CE2-CD2 4.27Å; F12-L46 HydrophobicContact CZ-CD2 4.07Å; F12-V47 HydrophobicContact CD1-CG2 4.14Å; F12-V47 HydrophobicContact CD2-CG2 3.94Å; F12-V47 HydrophobicContact CE1-CG2 3.98Å; F12-V47 HydrophobicContact CE2-CG2 3.78Å; F12-V47 HydrophobicContact CG-CG2 4.13Å; F12-V47 HydrophobicContact CZ-CG2 3.8Å; F12-I50 HydrophobicContact CE1-CD1 3.73Å; F12-I50 HydrophobicContact CZ-CD1 4.23Å
13K86.6Confident83.7Confident127 Ų12755.5 Ų55.555%0.55230%0.299SS*.Hα-helixtrans-60.1-38176.2-74.3178.3179.1-179.40112.5D9 K10 N15 G16 L17D9-K13 WeakPolarHBondContact O-CB 3.48Å; D9-K13 WeakPolarHBondContact O-CG 3.36Å; D9-K13 PolarHBondContact O-N 3.04Å; K10-K13 PolarHBondContact O-N 3.33Å; K13-N15 PolarHBondContact O-N 2.72Å; K13-G16 PolarHBondContact O-N 3.48Å; K13-L17 PolarHBondContact N-O 3.44Å
14L86.6Confident84.5Confident149 Ų14954.6 Ų54.678%0.7829%0.293SS*.Hα-helixtrans-60.8-26.8174.8-80.7162.1000113.1K10 F12K10-L14 WeakPolarHBondContact O-CG 3.44Å; K10-L14 PolarHBondContact O-N 3.09Å; F12-L14 VanDerWaalsContact C-N 3.29Å; F12-L14 PolarHBondContact O-N 2.91Å
15N82.7Confident84.9Confident84 Ų8458.7 Ų58.745%0.44931%0.307SS..THydrogen-bonded Turntrans-99.715.8176.2-70.2-86.5000112.6P11 F12 K13 L17 V47 L51P11-N15 PolarHBondContact O-ND2 3.11Å; F12-N15 CarbonylContact O-C 3.24Å; F12-N15 WeakPolarHBondContact O-CA 3.45Å; F12-N15 PolarHBondContact O-N 3.17Å; K13-N15 PolarHBondContact O-N 2.72Å; N15-L17 VanDerWaalsContact C-N 3.29Å; N15-L17 PolarHBondContact O-N 3.18Å; N15-V47 HydrophobicContact CB-CG1 3.96Å; N15-L51 HydrophobicContact CB-CD1 4.41Å
16G84.6Confident85.4Confident35 Ų3556.5 Ų56.536%0.36130%0.297SS..THydrogen-bonded Turntrans74.213.2179.200000115.1F12 K13F12-G16 PolarHBondContact O-N 3.11Å; K13-G16 PolarHBondContact O-N 3.48Å
17L86.1Confident85.7Confident8 Ų853.7 Ų53.74%0.04228%0.277CS..  trans-101.2140-177.3-57.2177.5000111.8F12 K13 N15 V47 I50 L51 I55 I60F12-L17 CarbonylContact C-O 3.22Å; F12-L17 VanDerWaalsContact C-O 3.22Å; F12-L17 HydrophobicContact CB-CB 4.15Å; F12-L17 HydrophobicContact CD1-CB 4.18Å; F12-L17 HydrophobicContact CD1-CD1 4.11Å; F12-L17 WeakPolarHBondContact O-CB 3.42Å; F12-L17 PolarHBondContact O-N 3.49Å; K13-L17 PolarHBondContact N-O 3.44Å; N15-L17 VanDerWaalsContact C-N 3.29Å; N15-L17 PolarHBondContact O-N 3.18Å; L17-V47 HydrophobicContact CD1-CG1 4.31Å; L17-I50 HydrophobicContact CD1-CG2 4.22Å; L17-L51 HydrophobicContact CD1-CD2 4.08Å; L17-L51 HydrophobicContact CD1-CG 4.37Å; L17-L51 HydrophobicContact CD2-CD2 4.4Å; L17-I55 HydrophobicContact CD2-CD1 4.43Å; L17-I60 HydrophobicContact CB-CG1 4.13Å; L17-I60 HydrophobicContact CD1-CG1 4.39Å; L17-I60 HydrophobicContact CD2-CD1 4.13Å; L17-I60 HydrophobicContact CD2-CG1 4.39Å
18F87.4Confident85.9Confident121 Ų12152.1 Ų52.153%0.53127%0.268SS..EExtended strand (participates in β ladder)trans-113.4109.6176.9-63.8-82.5000110.3N58 R59 I60F18-N58 HydrophobicContact CD2-CB 4.36Å; F18-N58 PolarHBondContact N-O 3.09Å; F18-R59 CarbonylContact O-C 3.58Å; F18-R59 WeakPolarHBondContact O-CA 3.21Å; F18-I60 PolarHBondContact O-N 3.5Å
19L85.2Confident86.1Confident25 Ų2554.3 Ų54.313%0.13128%0.283CS..EExtended strand (participates in β ladder)trans-70.9129.9174.1-76.3165.8000110.7I8 F12 A23 I27 I60I8-L19 HydrophobicContact CG2-CD1 4.01Å; F12-L19 HydrophobicContact CB-CD1 4.08Å; F12-L19 HydrophobicContact CB-CG 4.16Å; F12-L19 HydrophobicContact CD1-CD1 4.02Å; F12-L19 HydrophobicContact CD1-CD2 3.94Å; F12-L19 HydrophobicContact CD1-CG 3.8Å; F12-L19 HydrophobicContact CD2-CD1 3.46Å; F12-L19 VanDerWaalsContact CD2-CD1 3.46Å; F12-L19 HydrophobicContact CD2-CG 4.18Å; F12-L19 HydrophobicContact CE1-CD1 4.32Å; F12-L19 HydrophobicContact CE1-CD2 3.86Å; F12-L19 HydrophobicContact CE1-CG 4.2Å; F12-L19 HydrophobicContact CE2-CD1 3.81Å; F12-L19 HydrophobicContact CG-CD1 3.57Å; F12-L19 HydrophobicContact CG-CD2 4.35Å; F12-L19 HydrophobicContact CG-CG 3.77Å; F12-L19 HydrophobicContact CZ-CD1 4.22Å; F12-L19 HydrophobicContact CZ-CD2 4.22Å; L19-A23 HydrophobicContact CD2-CB 3.94Å; L19-I27 HydrophobicContact CD1-CD1 4.14Å; L19-I27 HydrophobicContact CD2-CD1 3.74Å; L19-I60 HydrophobicContact CD2-CB 4.12Å; L19-I60 HydrophobicContact CD2-CG2 4.05Å
20A88Confident86.1Confident8 Ų853.9 Ų53.97%0.06628%0.281CS..  trans-63.1151.316600000110.4D22 A23 S24 I60A20-D22 VanDerWaalsContact C-N 3.26Å; A20-D22 WeakPolarHBondContact CB-OD1 3.4Å; A20-D22 PolarHBondContact O-N 3.23Å; A20-A23 HydrophobicContact CB-CB 4.3Å; A20-A23 WeakPolarHBondContact O-CB 3.35Å; A20-A23 PolarHBondContact O-N 3.31Å; A20-S24 PolarHBondContact O-N 2.98Å; A20-I60 WeakPolarHBondContact CB-O 3.49Å; A20-I60 PolarHBondContact N-O 3.27Å
21P85.4Confident86Confident75 Ų7548.6 Ų48.649%0.48726%0.258SS..Hα-helixtrans-57.1-37.1-174.6-26.134.5000114.3Q25P21-Q25 WeakPolarHBondContact O-CG 3.46Å; P21-Q25 PolarHBondContact O-N 3.38Å; P21-Q25 VanDerWaalsContact O-N 3.11Å
22D87.7Confident85.9Confident74 Ų7451.9 Ų51.940%0.39627%0.271SS..Hα-helixtrans-68.8-39.9175.361-31.3000112.5A20 Q25 Y26 K62A20-D22 VanDerWaalsContact C-N 3.26Å; A20-D22 WeakPolarHBondContact CB-OD1 3.4Å; A20-D22 PolarHBondContact O-N 3.23Å; D22-Q25 PolarHBondContact O-N 3.36Å; D22-Y26 WeakPolarHBondContact O-CB 3.45Å; D22-Y26 PolarHBondContact O-N 3.5Å; D22-K62 WeakPolarHBondContact OD2-CB 3.28Å
23A86.3Confident85.7Confident0 Ų061.5 Ų61.50%031%0.307CS..Hα-helixtrans-64.7-44.6174.600000111.8L19 A20 Q25 Y26 I27 K62L19-A23 HydrophobicContact CD2-CB 3.94Å; A20-A23 HydrophobicContact CB-CB 4.3Å; A20-A23 WeakPolarHBondContact O-CB 3.35Å; A20-A23 PolarHBondContact O-N 3.31Å; A23-Q25 PolarHBondContact O-N 3.36Å; A23-Y26 WeakPolarHBondContact O-CB 3.41Å; A23-Y26 PolarHBondContact O-N 2.66Å; A23-I27 WeakPolarHBondContact O-CG1 3.03Å; A23-I27 PolarHBondContact O-N 2.88Å; A23-K62 HydrophobicContact CB-CB 4.36Å
24S87.5Confident85.4Confident1 Ų157.1 Ų57.11%0.00729%0.291CS..Hα-helixtrans-61.5-43.3176.7-175.20000111.4K5 D9 A20 I27 L28K5-S24 WeakPolarHBondContact CE-OG 3.34Å; K5-S24 WeakPolarHBondContact CG-OG 3.15Å; D9-S24 WeakPolarHBondContact OD1-CB 3.37Å; D9-S24 PolarHBondContact OD1-OG 3.38Å; A20-S24 PolarHBondContact O-N 2.98Å; S24-I27 PolarHBondContact O-N 3.19Å; S24-L28 WeakPolarHBondContact O-CB 3.49Å; S24-L28 PolarHBondContact O-N 3.06Å
25Q87.8Confident85.1Confident133 Ų13354.6 Ų54.662%0.62128%0.278SS*.Hα-helixtrans-63.6-39.9173.5-77.2-178.6-11.600112.8P21 D22 A23 L28 S29P21-Q25 WeakPolarHBondContact O-CG 3.46Å; P21-Q25 PolarHBondContact O-N 3.38Å; P21-Q25 VanDerWaalsContact O-N 3.11Å; D22-Q25 PolarHBondContact O-N 3.36Å; A23-Q25 PolarHBondContact O-N 3.36Å; Q25-L28 WeakPolarHBondContact O-CB 3.44Å; Q25-L28 PolarHBondContact O-N 3.22Å; Q25-S29 PolarHBondContact O-N 3.38Å
26Y87.7Confident84.7Confident48 Ų4855.1 Ų55.119%0.18829%0.286CS..Hα-helixtrans-62.9-49177.2176.1-106000111.9D22 A23 L28 S29 I30 K62 C65 E66 V69D22-Y26 WeakPolarHBondContact O-CB 3.45Å; D22-Y26 PolarHBondContact O-N 3.5Å; A23-Y26 WeakPolarHBondContact O-CB 3.41Å; A23-Y26 PolarHBondContact O-N 2.66Å; Y26-L28 VanDerWaalsContact C-N 3.28Å; Y26-L28 PolarHBondContact O-N 3.08Å; Y26-S29 PolarHBondContact O-N 3.33Å; Y26-S29 PolarHBondContact O-OG 3.22Å; Y26-I30 HydrophobicContact CD1-CD1 4.02Å; Y26-I30 HydrophobicContact CE1-CD1 3.44Å; Y26-I30 VanDerWaalsContact CE1-CD1 3.44Å; Y26-I30 HydrophobicContact CE2-CD1 4.13Å; Y26-I30 PolarHBondContact O-N 3.36Å; Y26-K62 HydrophobicContact CG-CG 4.34Å; Y26-C65 HydrophobicContact CD1-CB 4.06Å; Y26-C65 HydrophobicContact CE1-CB 4.4Å; Y26-E66 HydrophobicContact CD1-CG 4.28Å; Y26-E66 HydrophobicContact CE1-CB 4.41Å; Y26-E66 HydrophobicContact CE1-CG 3.68Å; Y26-E66 HydrophobicContact CE2-CG 4.01Å; Y26-V69 HydrophobicContact CE1-CB 4.49Å; Y26-V69 HydrophobicContact CE1-CG2 4.11Å
27I85.8Confident84.4Confident0 Ų057.2 Ų57.20%031%0.307CS..Hα-helixtrans-61.5-39.8176.8-65.2174.4000110.5I8 F12 L19 A23 S24 S29 I30 V31 L43 L46 C65I8-I27 HydrophobicContact CD1-CG2 4.38Å; I8-I27 HydrophobicContact CG2-CB 4.09Å; I8-I27 HydrophobicContact CG2-CG2 3.69Å; F12-I27 HydrophobicContact CE1-CD1 4.37Å; F12-I27 HydrophobicContact CE2-CD1 3.94Å; F12-I27 HydrophobicContact CZ-CD1 3.57Å; L19-I27 HydrophobicContact CD1-CD1 4.14Å; L19-I27 HydrophobicContact CD2-CD1 3.74Å; A23-I27 WeakPolarHBondContact O-CG1 3.03Å; A23-I27 PolarHBondContact O-N 2.88Å; S24-I27 PolarHBondContact O-N 3.19Å; I27-S29 VanDerWaalsContact C-N 3.31Å; I27-S29 PolarHBondContact O-N 2.98Å; I27-I30 PolarHBondContact O-N 3.37Å; I27-I30 VanDerWaalsContact O-N 3.08Å; I27-V31 HydrophobicContact CG2-CG2 3.78Å; I27-V31 WeakPolarHBondContact O-CG2 3.32Å; I27-V31 PolarHBondContact O-N 3.31Å; I27-L43 HydrophobicContact CG2-CD2 3.8Å; I27-L46 HydrophobicContact CD1-CD2 4.22Å; I27-C65 HydrophobicContact CD1-CB 4.36Å; I27-C65 HydrophobicContact CG1-CB 4.28Å
28L86.5Confident84.1Confident34 Ų3462.5 Ų62.518%0.17833%0.33CS..Hα-helixtrans-56.2-45.6175.8-17664.9000112V3 I8 S24 Q25 Y26 I30 V31 Q32V3-L28 HydrophobicContact CB-CD1 3.86Å; V3-L28 HydrophobicContact CG1-CD1 3.83Å; V3-L28 WeakPolarHBondContact O-CD1 3.14Å; I8-L28 HydrophobicContact CD1-CB 3.43Å; I8-L28 VanDerWaalsContact CD1-CB 3.43Å; I8-L28 HydrophobicContact CD1-CD1 3.34Å; I8-L28 HydrophobicContact CD1-CG 3.96Å; I8-L28 HydrophobicContact CG1-CD1 4.47Å; S24-L28 WeakPolarHBondContact O-CB 3.49Å; S24-L28 PolarHBondContact O-N 3.06Å; Q25-L28 WeakPolarHBondContact O-CB 3.44Å; Q25-L28 PolarHBondContact O-N 3.22Å; Y26-L28 VanDerWaalsContact C-N 3.28Å; Y26-L28 PolarHBondContact O-N 3.08Å; L28-I30 PolarHBondContact O-N 3.43Å; L28-V31 PolarHBondContact O-N 3.44Å; L28-Q32 HydrophobicContact CD1-CG 4.13Å; L28-Q32 HydrophobicContact CG-CG 4.39Å; L28-Q32 WeakPolarHBondContact O-CB 3.34Å; L28-Q32 VanDerWaalsContact O-CG 3.28Å; L28-Q32 WeakPolarHBondContact O-CG 3.45Å; L28-Q32 PolarHBondContact O-N 2.82Å
29S85.5Confident83.9Confident46 Ų4658.9 Ų58.932%0.32231%0.313SS..Hα-helixtrans-61.7-27.4178.879.70000113.6Q25 Y26 I27 R33Q25-S29 PolarHBondContact O-N 3.38Å; Y26-S29 PolarHBondContact O-N 3.33Å; Y26-S29 PolarHBondContact O-OG 3.22Å; I27-S29 VanDerWaalsContact C-N 3.31Å; I27-S29 PolarHBondContact O-N 2.98Å; S29-R33 WeakPolarHBondContact O-CG 3.45Å; S29-R33 PolarHBondContact O-NE 3.22Å
30I83.9Confident83.7Confident20 Ų2064 Ų6410%0.10334%0.336CS..Hα-helixtrans-84-49.7177.8-65.5165.5000110.3Y26 I27 L28 Q32 R33 V69Y26-I30 HydrophobicContact CD1-CD1 4.02Å; Y26-I30 HydrophobicContact CE1-CD1 3.44Å; Y26-I30 VanDerWaalsContact CE1-CD1 3.44Å; Y26-I30 HydrophobicContact CE2-CD1 4.13Å; Y26-I30 PolarHBondContact O-N 3.36Å; I27-I30 PolarHBondContact O-N 3.37Å; I27-I30 VanDerWaalsContact O-N 3.08Å; L28-I30 PolarHBondContact O-N 3.43Å; I30-Q32 VanDerWaalsContact C-N 3.27Å; I30-Q32 PolarHBondContact O-N 3.41Å; I30-R33 WeakPolarHBondContact O-CB 3.43Å; I30-R33 PolarHBondContact O-N 2.93Å; I30-V69 HydrophobicContact CD1-CB 4.31Å; I30-V69 HydrophobicContact CD1-CG1 3.82Å; I30-V69 HydrophobicContact CD1-CG2 3.68Å
31V84Confident83.4Confident1 Ų171.6 Ų71.61%0.00637%0.368CS..Hα-helixtrans-66-31.5-175.5175.40000111.5V3 I27 L28 R33 V34 R39 L43V3-V31 HydrophobicContact CG2-CG1 4.5Å; I27-V31 HydrophobicContact CG2-CG2 3.78Å; I27-V31 WeakPolarHBondContact O-CG2 3.32Å; I27-V31 PolarHBondContact O-N 3.31Å; L28-V31 PolarHBondContact O-N 3.44Å; V31-R33 PolarHBondContact O-N 3.06Å; V31-V34 PolarHBondContact O-N 2.96Å; V31-V34 VanDerWaalsContact O-N 3.11Å; V31-R39 HydrophobicContact CG1-CB 3.84Å; V31-R39 HydrophobicContact CG1-CG 3.74Å; V31-R39 PolarHBondContact O-NE 3.22Å; V31-L43 HydrophobicContact CG1-CD1 4.46Å; V31-L43 HydrophobicContact CG2-CD2 3.99Å; V31-L43 HydrophobicContact CG2-CG 4.1Å
32Q83.3Confident83.3Confident99 Ų9970.5 Ų70.546%0.46336%0.36SS..THydrogen-bonded Turntrans-60.7-31173-79.6177.5-11.900112.8L28 I30 V34 R39L28-Q32 HydrophobicContact CD1-CG 4.13Å; L28-Q32 HydrophobicContact CG-CG 4.39Å; L28-Q32 WeakPolarHBondContact O-CB 3.34Å; L28-Q32 VanDerWaalsContact O-CG 3.28Å; L28-Q32 WeakPolarHBondContact O-CG 3.45Å; L28-Q32 PolarHBondContact O-N 2.82Å; I30-Q32 VanDerWaalsContact C-N 3.27Å; I30-Q32 PolarHBondContact O-N 3.41Å; Q32-V34 VanDerWaalsContact C-N 3.29Å; Q32-V34 PolarHBondContact O-N 2.96Å; Q32-R39 PolarHBondContact O-NH2 3.06Å
33R81.8Confident83.2Confident204 Ų20467.4 Ų67.477%0.7734%0.343SS*.THydrogen-bonded Turntrans-79-10.2177.3-59.1176.6-171.8-169.5-0.4113.5S29 I30 V31S29-R33 WeakPolarHBondContact O-CG 3.45Å; S29-R33 PolarHBondContact O-NE 3.22Å; I30-R33 WeakPolarHBondContact O-CB 3.43Å; I30-R33 PolarHBondContact O-N 2.93Å; V31-R33 PolarHBondContact O-N 3.06Å
34V79.4Confident83Confident35 Ų3574.9 Ų74.921%0.21237%0.371CS..SBendtrans-94.4142.7-178.51800000110.3V31 Q32 K38 R39 V42V31-V34 PolarHBondContact O-N 2.96Å; V31-V34 VanDerWaalsContact O-N 3.11Å; Q32-V34 VanDerWaalsContact C-N 3.29Å; Q32-V34 PolarHBondContact O-N 2.96Å; V34-K38 HydrophobicContact CG1-CB 3.85Å; V34-R39 HydrophobicContact CB-CG 4.33Å; V34-R39 HydrophobicContact CG1-CG 4.42Å; V34-R39 PolarHBondContact O-NE 3.06Å; V34-R39 PolarHBondContact O-NH2 3.44Å; V34-V42 HydrophobicContact CG1-CG2 4.06Å
35D79.9Confident82.8Confident95 Ų9577.7 Ų77.751%0.50838%0.384SS..  trans-48.3134.4173.4-65.3-37.7000111.8G37 K38 R39D35-G37 VanDerWaalsContact C-N 3.27Å; D35-G37 PolarHBondContact O-N 3.29Å; D35-G37 VanDerWaalsContact O-N 3.09Å; D35-K38 HydrophobicContact CB-CD 4.39Å; D35-K38 PolarHBondContact O-N 3.35Å; D35-K38 IonicContact OD2-NZ 3.6Å; D35-K38 PolarHBondContact OD2-NZ 3.29Å; D35-R39 WeakPolarHBondContact O-CG 3.37Å; D35-R39 PolarHBondContact O-N 3.3Å
36P75.4Confident82.6Confident96 Ų9671.6 Ų71.662%0.62336%0.355SS*.G310 helixtrans-49.5-42.5-176.1-26.732.3000114.5K38 R39P36-K38 VanDerWaalsContact C-N 3.28Å; P36-K38 PolarHBondContact O-N 2.93Å; P36-R39 PolarHBondContact O-N 2.96Å
37G78.5Confident82.5Confident78 Ų7869.5 Ų69.580%0.80435%0.347SS*.G310 helixtrans-68.8-20.2-179.300000114.9D35D35-G37 VanDerWaalsContact C-N 3.27Å; D35-G37 PolarHBondContact O-N 3.29Å; D35-G37 VanDerWaalsContact O-N 3.09Å
38K80Confident82.4Confident119 Ų11974.8 Ų74.852%0.51737%0.372SS..G310 helixtrans-99-13.4-179.4-66.3174.7-172.41550113.2V34 D35 P36 Q40 K41 V42V34-K38 HydrophobicContact CG1-CB 3.85Å; D35-K38 HydrophobicContact CB-CD 4.39Å; D35-K38 PolarHBondContact O-N 3.35Å; D35-K38 IonicContact OD2-NZ 3.6Å; D35-K38 PolarHBondContact OD2-NZ 3.29Å; P36-K38 VanDerWaalsContact C-N 3.28Å; P36-K38 PolarHBondContact O-N 2.93Å; K38-Q40 PolarHBondContact O-N 2.94Å; K38-K41 WeakPolarHBondContact O-CB 3.5Å; K38-K41 PolarHBondContact O-N 3Å; K38-V42 PolarHBondContact O-N 2.76Å
39R82.2Confident82.1Confident46 Ų4673.4 Ų73.417%0.17437%0.365CS..Hα-helixtrans-54.8-47.6-174.6-68.7178.5-177.3168.7-3.3113.4M1 V31 Q32 V34 D35 P36 K41 V42 L43M1-R39 PolarHBondContact O-NH1 3.42Å; V31-R39 HydrophobicContact CG1-CB 3.84Å; V31-R39 HydrophobicContact CG1-CG 3.74Å; V31-R39 PolarHBondContact O-NE 3.22Å; Q32-R39 PolarHBondContact O-NH2 3.06Å; V34-R39 HydrophobicContact CB-CG 4.33Å; V34-R39 HydrophobicContact CG1-CG 4.42Å; V34-R39 PolarHBondContact O-NE 3.06Å; V34-R39 PolarHBondContact O-NH2 3.44Å; D35-R39 WeakPolarHBondContact O-CG 3.37Å; D35-R39 PolarHBondContact O-N 3.3Å; P36-R39 PolarHBondContact O-N 2.96Å; R39-K41 VanDerWaalsContact C-N 3.33Å; R39-K41 PolarHBondContact O-N 2.88Å; R39-V42 PolarHBondContact O-N 2.99Å; R39-L43 PolarHBondContact O-N 3.44Å
40Q81.4Confident82Confident133 Ų13371.2 Ų71.262%0.62135%0.349SS*.Hα-helixtrans-63.7-37.7178.2-76.5-169.6-0.800112.5K38 L43 R44K38-Q40 PolarHBondContact O-N 2.94Å; Q40-L43 PolarHBondContact O-N 3.35Å; Q40-R44 WeakPolarHBondContact O-CG 3.39Å; Q40-R44 PolarHBondContact O-N 3.3Å
41K82.2Confident81.9Confident166 Ų16674.2 Ų74.272%0.72237%0.365SS*.Hα-helixtrans-67.6-41.3179.1-168.6175.8-177.7176.40111.3K38 R39 K45K38-K41 WeakPolarHBondContact O-CB 3.5Å; K38-K41 PolarHBondContact O-N 3Å; R39-K41 VanDerWaalsContact C-N 3.33Å; R39-K41 PolarHBondContact O-N 2.88Å; K41-K45 WeakPolarHBondContact O-CB 3.45Å; K41-K45 PolarHBondContact O-N 3.49Å
42V82.9Confident81.6Confident52 Ų5281.6 Ų81.632%0.31540%0.397SS..Hα-helixtrans-63.1-45.8174.5174.10000110.8V34 K38 R39 K45 L46V34-V42 HydrophobicContact CG1-CG2 4.06Å; K38-V42 PolarHBondContact O-N 2.76Å; R39-V42 PolarHBondContact O-N 2.99Å; V42-K45 PolarHBondContact O-N 2.86Å; V42-L46 WeakPolarHBondContact O-CB 3.5Å; V42-L46 PolarHBondContact O-N 2.82Å
43L84.4Confident81Confident10 Ų1078.9 Ų78.95%0.05239%0.385CS..Hα-helixtrans-60.2-47.9177.5-79.3165.4000112.2I8 P11 F12 I27 V31 R39 Q40 K45 L46 V47I8-L43 HydrophobicContact CG2-CD2 4.21Å; P11-L43 HydrophobicContact CG-CB 4.46Å; P11-L43 HydrophobicContact CG-CD1 4.41Å; F12-L43 HydrophobicContact CE2-CD2 4.27Å; I27-L43 HydrophobicContact CG2-CD2 3.8Å; V31-L43 HydrophobicContact CG1-CD1 4.46Å; V31-L43 HydrophobicContact CG2-CD2 3.99Å; V31-L43 HydrophobicContact CG2-CG 4.1Å; R39-L43 PolarHBondContact O-N 3.44Å; Q40-L43 PolarHBondContact O-N 3.35Å; L43-K45 VanDerWaalsContact C-N 3.35Å; L43-K45 PolarHBondContact O-N 3.34Å; L43-L46 PolarHBondContact O-N 3Å; L43-V47 WeakPolarHBondContact O-CG2 3.5Å; L43-V47 PolarHBondContact O-N 3.27Å
44R83.8Confident80.3Confident156 Ų15679 Ų7959%0.58939%0.391SS*.Hα-helixtrans-58.4-46177.1-71.4-178-146.5-171.35.5111.8Q40 L46 V47 E48Q40-R44 WeakPolarHBondContact O-CG 3.39Å; Q40-R44 PolarHBondContact O-N 3.3Å; R44-L46 VanDerWaalsContact C-N 3.31Å; R44-L46 PolarHBondContact O-N 3.26Å; R44-V47 PolarHBondContact O-N 2.99Å; R44-E48 WeakPolarHBondContact O-CG 3.37Å; R44-E48 PolarHBondContact O-N 3.2Å
45K82.3Confident79.9Confident61 Ų6179.5 Ų79.527%0.26539%0.392SS..Hα-helixtrans-61.1-41177.8-169.2173.4-179.5-1730111.9K41 V42 L43 V47 E48 T49 E75 H76K41-K45 WeakPolarHBondContact O-CB 3.45Å; K41-K45 PolarHBondContact O-N 3.49Å; V42-K45 PolarHBondContact O-N 2.86Å; L43-K45 VanDerWaalsContact C-N 3.35Å; L43-K45 PolarHBondContact O-N 3.34Å; K45-V47 VanDerWaalsContact C-N 3.34Å; K45-V47 PolarHBondContact O-N 2.85Å; K45-E48 PolarHBondContact O-N 3.46Å; K45-T49 PolarHBondContact O-N 3.25Å; K45-T49 PolarHBondContact O-OG1 2.91Å; K45-T49 VanDerWaalsContact O-OG1 3.04Å; K45-E75 WeakPolarHBondContact CE-OE2 3.34Å; K45-E75 IonicContact NZ-OE2 3.66Å; K45-E75 PolarHBondContact NZ-OE2 3.39Å; K45-H76 PolarHBondContact NZ-NE2 3.04Å
46L84.3Confident79.4Confident4 Ų482.3 Ų82.32%0.02141%0.407CS..Hα-helixtrans-64.5-39.1178.1-148.5156.1000111.5F12 I27 V42 L43 R44 I50 A68 V69F12-L46 HydrophobicContact CZ-CD2 4.07Å; I27-L46 HydrophobicContact CD1-CD2 4.22Å; V42-L46 WeakPolarHBondContact O-CB 3.5Å; V42-L46 PolarHBondContact O-N 2.82Å; L43-L46 PolarHBondContact O-N 3Å; R44-L46 VanDerWaalsContact C-N 3.31Å; R44-L46 PolarHBondContact O-N 3.26Å; L46-I50 HydrophobicContact CD2-CD1 3.49Å; L46-I50 VanDerWaalsContact CD2-CD1 3.49Å; L46-I50 HydrophobicContact CD2-CG1 4.27Å; L46-I50 WeakPolarHBondContact O-CB 3.47Å; L46-I50 VanDerWaalsContact O-CG1 3.31Å; L46-I50 WeakPolarHBondContact O-CG1 3.49Å; L46-I50 PolarHBondContact O-N 3.31Å; L46-A68 HydrophobicContact CD2-CB 4.33Å; L46-V69 HydrophobicContact CD1-CG2 3.66Å; L46-V69 HydrophobicContact CG-CG2 4.35Å
47V85.2Confident79.4Confident4 Ų483.2 Ų83.22%0.02441%0.407CS..Hα-helixtrans-63.9-46.3172.6178.90000111.4P11 F12 N15 L17 L43 R44 K45 T49 I50 L51P11-V47 HydrophobicContact CB-CG2 4.34Å; F12-V47 HydrophobicContact CD1-CG2 4.14Å; F12-V47 HydrophobicContact CD2-CG2 3.94Å; F12-V47 HydrophobicContact CE1-CG2 3.98Å; F12-V47 HydrophobicContact CE2-CG2 3.78Å; F12-V47 HydrophobicContact CG-CG2 4.13Å; F12-V47 HydrophobicContact CZ-CG2 3.8Å; N15-V47 HydrophobicContact CB-CG1 3.96Å; L17-V47 HydrophobicContact CD1-CG1 4.31Å; L43-V47 WeakPolarHBondContact O-CG2 3.5Å; L43-V47 PolarHBondContact O-N 3.27Å; R44-V47 PolarHBondContact O-N 2.99Å; K45-V47 VanDerWaalsContact C-N 3.34Å; K45-V47 PolarHBondContact O-N 2.85Å; V47-T49 PolarHBondContact O-N 3.5Å; V47-I50 PolarHBondContact O-N 3.35Å; V47-L51 HydrophobicContact CG1-CD1 3.93Å; V47-L51 HydrophobicContact CG1-CG 4.34Å; V47-L51 WeakPolarHBondContact O-CG 3.39Å; V47-L51 PolarHBondContact O-N 2.86Å
48E83.5Confident79.5Confident112 Ų11284.6 Ų84.652%0.52340%0.395SS..Hα-helixtrans-60.3-43177.3-72.9171.2-164.200112.3R44 K45 L51 K52R44-E48 WeakPolarHBondContact O-CG 3.37Å; R44-E48 PolarHBondContact O-N 3.2Å; K45-E48 PolarHBondContact O-N 3.46Å; E48-L51 PolarHBondContact O-N 3.43Å; E48-K52 WeakPolarHBondContact O-CG 3.44Å; E48-K52 PolarHBondContact O-N 3.45Å
49T81.2Confident79.7Confident4 Ų487.3 Ų87.33%0.02540%0.402CS..Hα-helixtrans-63-43.1176.4-59.30000111.4K45 V47 K52 Q53 A68 E71 C72K45-T49 PolarHBondContact O-N 3.25Å; K45-T49 PolarHBondContact O-OG1 2.91Å; K45-T49 VanDerWaalsContact O-OG1 3.04Å; V47-T49 PolarHBondContact O-N 3.5Å; T49-K52 PolarHBondContact O-N 3.22Å; T49-Q53 WeakPolarHBondContact O-CG 3.37Å; T49-Q53 PolarHBondContact O-N 3.01Å; T49-A68 HydrophobicContact CG2-CB 4.04Å; T49-E71 HydrophobicContact CG2-CB 4.16Å; T49-E71 HydrophobicContact CG2-CG 4.11Å; T49-E71 VanDerWaalsContact CG2-OE2 3.29Å; T49-E71 WeakPolarHBondContact CG2-OE2 3.31Å; T49-C72 PolarHBondContact OG1-SG 3.34Å; T49-C72 VanDerWaalsContact OG1-SG 3.38Å
50I82.5Confident79.7Confident0 Ų085.1 Ų85.10%039%0.394CS..Hα-helixtrans-62.8-44.9176.4-74.1170.9000110.7F12 L17 L46 V47 K52 Q53 I55 I60 A68F12-I50 HydrophobicContact CE1-CD1 3.73Å; F12-I50 HydrophobicContact CZ-CD1 4.23Å; L17-I50 HydrophobicContact CD1-CG2 4.22Å; L46-I50 HydrophobicContact CD2-CD1 3.49Å; L46-I50 VanDerWaalsContact CD2-CD1 3.49Å; L46-I50 HydrophobicContact CD2-CG1 4.27Å; L46-I50 WeakPolarHBondContact O-CB 3.47Å; L46-I50 VanDerWaalsContact O-CG1 3.31Å; L46-I50 WeakPolarHBondContact O-CG1 3.49Å; L46-I50 PolarHBondContact O-N 3.31Å; V47-I50 PolarHBondContact O-N 3.35Å; I50-K52 VanDerWaalsContact C-N 3.27Å; I50-K52 PolarHBondContact O-N 3.48Å; I50-Q53 WeakPolarHBondContact O-CB 3.48Å; I50-Q53 PolarHBondContact O-N 3.04Å; I50-Q53 VanDerWaalsContact O-N 3.09Å; I50-I55 HydrophobicContact CG2-CD1 3.36Å; I50-I55 HydrophobicContact CG2-CG1 4.36Å; I50-I55 VanDerWaalsContact O-CD1 3.24Å; I50-I55 WeakPolarHBondContact O-CD1 3.28Å; I50-I55 WeakPolarHBondContact O-CG1 3.17Å; I50-I60 HydrophobicContact CD1-CG2 4.26Å; I50-I60 HydrophobicContact CG2-CD1 3.83Å; I50-I60 HydrophobicContact CG2-CG1 4.45Å; I50-A68 HydrophobicContact CD1-CB 4.13Å; I50-A68 HydrophobicContact CG1-CB 3.47Å; I50-A68 VanDerWaalsContact CG1-CB 3.47Å
51L81.8Confident80Confident84 Ų8481.3 Ų81.344%0.4438%0.382SS..Hα-helixtrans-65.4-27.2178.1-71.9172.7000113.6N15 L17 V47 E48 Q53N15-L51 HydrophobicContact CB-CD1 4.41Å; L17-L51 HydrophobicContact CD1-CD2 4.08Å; L17-L51 HydrophobicContact CD1-CG 4.37Å; L17-L51 HydrophobicContact CD2-CD2 4.4Å; V47-L51 HydrophobicContact CG1-CD1 3.93Å; V47-L51 HydrophobicContact CG1-CG 4.34Å; V47-L51 WeakPolarHBondContact O-CG 3.39Å; V47-L51 PolarHBondContact O-N 2.86Å; E48-L51 PolarHBondContact O-N 3.43Å; L51-Q53 VanDerWaalsContact C-N 3.34Å
52K76.8Confident80.2Confident156 Ų15677.2 Ų77.268%0.67836%0.364SS*.Hα-helixtrans-72.3-28.3172.8-77176.6-178179.90112.7E48 T49 I50E48-K52 WeakPolarHBondContact O-CG 3.44Å; E48-K52 PolarHBondContact O-N 3.45Å; T49-K52 PolarHBondContact O-N 3.22Å; I50-K52 VanDerWaalsContact C-N 3.27Å; I50-K52 PolarHBondContact O-N 3.48Å
53Q71Confident80.2Confident41 Ų4177.8 Ų77.819%0.19237%0.374CS..SBendtrans-69.7142.9172.1-63.9171.1-1.900108.3T49 I50 L51 I55 E71T49-Q53 WeakPolarHBondContact O-CG 3.37Å; T49-Q53 PolarHBondContact O-N 3.01Å; I50-Q53 WeakPolarHBondContact O-CB 3.48Å; I50-Q53 PolarHBondContact O-N 3.04Å; I50-Q53 VanDerWaalsContact O-N 3.09Å; L51-Q53 VanDerWaalsContact C-N 3.34Å; Q53-I55 VanDerWaalsContact O-CG1 3.32Å; Q53-I55 WeakPolarHBondContact O-CG1 3.33Å; Q53-I55 PolarHBondContact O-N 3.2Å; Q53-E71 PolarHBondContact NE2-OE2 2.88Å
54K67.3Low80.2Confident206 Ų20679.5 Ų79.590%0.89638%0.383SS*.  trans-68.898.8174-72.5-177.9178.61780108.4
55I71.5Confident80.2Confident46 Ų4672 Ų7224%0.23636%0.355CS..  trans-97.2125.2177.4-32.6173.8000108.9L17 I50 Q53 N57 I60 L64L17-I55 HydrophobicContact CD2-CD1 4.43Å; I50-I55 HydrophobicContact CG2-CD1 3.36Å; I50-I55 HydrophobicContact CG2-CG1 4.36Å; I50-I55 VanDerWaalsContact O-CD1 3.24Å; I50-I55 WeakPolarHBondContact O-CD1 3.28Å; I50-I55 WeakPolarHBondContact O-CG1 3.17Å; Q53-I55 VanDerWaalsContact O-CG1 3.32Å; Q53-I55 WeakPolarHBondContact O-CG1 3.33Å; Q53-I55 PolarHBondContact O-N 3.2Å; I55-N57 WeakPolarHBondContact CG2-O 3.33Å; I55-I60 HydrophobicContact CD1-CD1 3.92Å; I55-I60 HydrophobicContact CG2-CD1 3.99Å; I55-L64 HydrophobicContact CG2-CD1 4.46Å
56D68.9Low80.3Confident154 Ų15472.2 Ų72.282%0.82436%0.357SS*.SBendtrans-82.2-23.3178-56.4-35.6000112.6
57N76.7Confident80.1Confident116 Ų11674.1 Ų74.162%0.6237%0.373SS*.SBendtrans-135144.8-171.7-74.7-37.4000112.6I55 R59I55-N57 WeakPolarHBondContact CG2-O 3.33Å; N57-R59 PolarHBondContact O-N 2.96Å; N57-R59 VanDerWaalsContact O-N 3.07Å
58N80.7Confident79.9Confident106 Ų10673.9 Ų73.957%0.56737%0.372SS*.SBendtrans-68.5-8.7177.1-61.44.5000113.4F18F18-N58 HydrophobicContact CD2-CB 4.36Å; F18-N58 PolarHBondContact N-O 3.09Å
59R83.5Confident79.9Confident177 Ų17768.9 Ų68.967%0.66835%0.349SS*.EExtended strand (participates in β ladder)trans-94.6112.3-179.8-171175.2170.9163.9-3.7110.4F18 N57F18-R59 CarbonylContact O-C 3.58Å; F18-R59 WeakPolarHBondContact O-CA 3.21Å; N57-R59 PolarHBondContact O-N 2.96Å; N57-R59 VanDerWaalsContact O-N 3.07Å
60I83Confident79.6Confident0 Ų075.8 Ų75.80%038%0.378CS..EExtended strand (participates in β ladder)trans-90.7119.5-175.3-55-55.4000110.2L17 F18 L19 A20 I50 I55 L64 C65L17-I60 HydrophobicContact CB-CG1 4.13Å; L17-I60 HydrophobicContact CD1-CG1 4.39Å; L17-I60 HydrophobicContact CD2-CD1 4.13Å; L17-I60 HydrophobicContact CD2-CG1 4.39Å; F18-I60 PolarHBondContact O-N 3.5Å; L19-I60 HydrophobicContact CD2-CB 4.12Å; L19-I60 HydrophobicContact CD2-CG2 4.05Å; A20-I60 WeakPolarHBondContact CB-O 3.49Å; A20-I60 PolarHBondContact N-O 3.27Å; I50-I60 HydrophobicContact CD1-CG2 4.26Å; I50-I60 HydrophobicContact CG2-CD1 3.83Å; I50-I60 HydrophobicContact CG2-CG1 4.45Å; I55-I60 HydrophobicContact CD1-CD1 3.92Å; I55-I60 HydrophobicContact CG2-CD1 3.99Å; I60-L64 HydrophobicContact CG2-CB 4.14Å; I60-C65 WeakPolarHBondContact CG2-SG 3.39Å
61S87.2Confident79.1Confident52 Ų5279.3 Ų79.336%0.36440%0.395SS..  trans-84161.4176.369.80000111.8A63 L64 C65S61-A63 PolarHBondContact O-N 3.19Å; S61-L64 PolarHBondContact O-N 3.41Å; S61-C65 PolarHBondContact O-N 3.04Å
62K85.3Confident78.6Confident81 Ų8176.2 Ų76.235%0.35238%0.38SS..Hα-helixtrans-57.6-37175.3-178.2-177.4177.2-157.60112.6D22 A23 Y26 L64 C65 E66D22-K62 WeakPolarHBondContact OD2-CB 3.28Å; A23-K62 HydrophobicContact CB-CB 4.36Å; Y26-K62 HydrophobicContact CG-CG 4.34Å; K62-L64 PolarHBondContact O-N 2.89Å; K62-C65 WeakPolarHBondContact O-CB 3.47Å; K62-C65 PolarHBondContact O-N 3.43Å; K62-E66 WeakPolarHBondContact CE-OE1 3.06Å; K62-E66 HydrophobicContact CG-CG 4.42Å; K62-E66 IonicContact NZ-OE1 3.17Å; K62-E66 WeakPolarHBondContact O-CG 3.29Å; K62-E66 PolarHBondContact O-N 3.37Å
63A83.2Confident78.2Confident63 Ų6375.5 Ų75.552%0.52137%0.373SS..Hα-helixtrans-62.1-41179.300000112.8S61 E66 A67S61-A63 PolarHBondContact O-N 3.19Å; A63-E66 PolarHBondContact O-N 3.34Å; A63-A67 WeakPolarHBondContact O-CB 3.28Å; A63-A67 PolarHBondContact O-N 3.38Å
64L83.9Confident77.5Confident46 Ų4676.3 Ų76.324%0.24139%0.387CS..Hα-helixtrans-63.4-43.2173.6-96.8150.2000111.4I55 I60 S61 K62 E66 A67 A68I55-L64 HydrophobicContact CG2-CD1 4.46Å; I60-L64 HydrophobicContact CG2-CB 4.14Å; S61-L64 PolarHBondContact O-N 3.41Å; K62-L64 PolarHBondContact O-N 2.89Å; L64-E66 PolarHBondContact O-N 3.49Å; L64-A67 PolarHBondContact O-N 2.87Å; L64-A68 WeakPolarHBondContact O-CB 3.46Å; L64-A68 PolarHBondContact O-N 3.42Å
65C85.3Confident76.8Confident0 Ų070.4 Ų70.40%036%0.362CS..Hα-helixtrans-63.9-40.4175.1-63.60000112.4Y26 I27 I60 S61 K62 A67 A68 V69Y26-C65 HydrophobicContact CD1-CB 4.06Å; Y26-C65 HydrophobicContact CE1-CB 4.4Å; I27-C65 HydrophobicContact CD1-CB 4.36Å; I27-C65 HydrophobicContact CG1-CB 4.28Å; I60-C65 WeakPolarHBondContact CG2-SG 3.39Å; S61-C65 PolarHBondContact O-N 3.04Å; K62-C65 WeakPolarHBondContact O-CB 3.47Å; K62-C65 PolarHBondContact O-N 3.43Å; C65-A67 VanDerWaalsContact C-N 3.35Å; C65-A68 PolarHBondContact O-N 2.82Å; C65-V69 WeakPolarHBondContact O-CB 3.13Å; C65-V69 WeakPolarHBondContact O-CG2 3.24Å; C65-V69 PolarHBondContact O-N 3.11Å
66E84.5Confident75.7Confident64 Ų6474.7 Ų74.730%0.29938%0.381SS..Hα-helixtrans-62.3-42174.8-76.2178.2178.600111.5Y26 K62 A63 L64 K70Y26-E66 HydrophobicContact CD1-CG 4.28Å; Y26-E66 HydrophobicContact CE1-CB 4.41Å; Y26-E66 HydrophobicContact CE1-CG 3.68Å; Y26-E66 HydrophobicContact CE2-CG 4.01Å; K62-E66 WeakPolarHBondContact CE-OE1 3.06Å; K62-E66 HydrophobicContact CG-CG 4.42Å; K62-E66 IonicContact NZ-OE1 3.17Å; K62-E66 WeakPolarHBondContact O-CG 3.29Å; K62-E66 PolarHBondContact O-N 3.37Å; A63-E66 PolarHBondContact O-N 3.34Å; L64-E66 PolarHBondContact O-N 3.49Å; E66-K70 WeakPolarHBondContact O-CB 3.42Å; E66-K70 VanDerWaalsContact O-CG 3.28Å; E66-K70 WeakPolarHBondContact O-CG 3.49Å; E66-K70 PolarHBondContact O-N 3.03Å
67A79.4Confident74.7Confident44 Ų4469.7 Ų69.736%0.36436%0.358SS..Hα-helixtrans-63.3-48.9175.200000111.7A63 L64 C65 V69 K70 E71A63-A67 WeakPolarHBondContact O-CB 3.28Å; A63-A67 PolarHBondContact O-N 3.38Å; L64-A67 PolarHBondContact O-N 2.87Å; C65-A67 VanDerWaalsContact C-N 3.35Å; A67-V69 PolarHBondContact O-N 3.31Å; A67-K70 WeakPolarHBondContact O-CB 3.34Å; A67-K70 PolarHBondContact O-N 3.16Å; A67-E71 WeakPolarHBondContact O-CB 3.23Å; A67-E71 PolarHBondContact O-N 2.69Å
68A81.7Confident73.3Confident0 Ų068.8 Ų68.80%036%0.357CS..Hα-helixtrans-63.9-37.317800000112.9L46 T49 I50 L64 C65 E71 C72L46-A68 HydrophobicContact CD2-CB 4.33Å; T49-A68 HydrophobicContact CG2-CB 4.04Å; I50-A68 HydrophobicContact CD1-CB 4.13Å; I50-A68 HydrophobicContact CG1-CB 3.47Å; I50-A68 VanDerWaalsContact CG1-CB 3.47Å; L64-A68 WeakPolarHBondContact O-CB 3.46Å; L64-A68 PolarHBondContact O-N 3.42Å; C65-A68 PolarHBondContact O-N 2.82Å; A68-E71 PolarHBondContact O-N 3.5Å; A68-C72 WeakPolarHBondContact O-CB 3.37Å; A68-C72 PolarHBondContact O-N 3.06Å; A68-C72 PolarHBondContact O-SG 2.8Å
69V81.9Confident72Confident6 Ų669.9 Ų69.94%0.03636%0.363CS..Hα-helixtrans-67.9-42.2173.6169.10000110.8Y26 I30 L46 C65 A67 E71 C72 R73Y26-V69 HydrophobicContact CE1-CB 4.49Å; Y26-V69 HydrophobicContact CE1-CG2 4.11Å; I30-V69 HydrophobicContact CD1-CB 4.31Å; I30-V69 HydrophobicContact CD1-CG1 3.82Å; I30-V69 HydrophobicContact CD1-CG2 3.68Å; L46-V69 HydrophobicContact CD1-CG2 3.66Å; L46-V69 HydrophobicContact CG-CG2 4.35Å; C65-V69 WeakPolarHBondContact O-CB 3.13Å; C65-V69 WeakPolarHBondContact O-CG2 3.24Å; C65-V69 PolarHBondContact O-N 3.11Å; A67-V69 PolarHBondContact O-N 3.31Å; V69-E71 VanDerWaalsContact C-N 3.3Å; V69-E71 PolarHBondContact O-N 2.71Å; V69-C72 PolarHBondContact O-N 3.42Å; V69-R73 HydrophobicContact CG1-CG 4.34Å; V69-R73 VanDerWaalsContact O-CB 3.29Å; V69-R73 WeakPolarHBondContact O-CB 3.37Å; V69-R73 VanDerWaalsContact O-CG 3.28Å; V69-R73 WeakPolarHBondContact O-CG 3.45Å; V69-R73 PolarHBondContact O-N 3.25Å
70K75.5Confident71.4Confident150 Ų15063.9 Ų63.965%0.65234%0.344SS*.Hα-helixtrans-60.1-42.1174-81.2177.4-179.9178.60111E66 A67 R73 A74E66-K70 WeakPolarHBondContact O-CB 3.42Å; E66-K70 VanDerWaalsContact O-CG 3.28Å; E66-K70 WeakPolarHBondContact O-CG 3.49Å; E66-K70 PolarHBondContact O-N 3.03Å; A67-K70 WeakPolarHBondContact O-CB 3.34Å; A67-K70 PolarHBondContact O-N 3.16Å; K70-R73 CarbonylContact O-C 3.6Å; K70-R73 PolarHBondContact O-N 3.25Å; K70-A74 WeakPolarHBondContact O-CB 3.43Å; K70-A74 PolarHBondContact O-N 3.36Å
71E73.1Confident71.4Confident74 Ų7468.6 Ų68.635%0.34637%0.368SS..Hα-helixtrans-65.3-47.8176.4-170.7179.9166.700111.7T49 Q53 A67 A68 V69 R73 A74 E75T49-E71 HydrophobicContact CG2-CB 4.16Å; T49-E71 HydrophobicContact CG2-CG 4.11Å; T49-E71 VanDerWaalsContact CG2-OE2 3.29Å; T49-E71 WeakPolarHBondContact CG2-OE2 3.31Å; Q53-E71 PolarHBondContact NE2-OE2 2.88Å; A67-E71 WeakPolarHBondContact O-CB 3.23Å; A67-E71 PolarHBondContact O-N 2.69Å; A68-E71 PolarHBondContact O-N 3.5Å; V69-E71 VanDerWaalsContact C-N 3.3Å; V69-E71 PolarHBondContact O-N 2.71Å; E71-R73 VanDerWaalsContact C-N 3.28Å; E71-R73 PolarHBondContact O-N 2.65Å; E71-A74 CarbonylContact O-C 3.26Å; E71-A74 PolarHBondContact O-N 3.2Å; E71-A74 VanDerWaalsContact O-N 3.1Å; E71-E75 PolarHBondContact O-N 3.01Å
72C70.9Confident71.4Confident19 Ų1967.2 Ų67.213%0.12836%0.358CS..Hα-helixtrans-59.9-39174.5-71.90000112.1T49 A68 V69 H76T49-C72 PolarHBondContact OG1-SG 3.34Å; T49-C72 VanDerWaalsContact OG1-SG 3.38Å; A68-C72 WeakPolarHBondContact O-CB 3.37Å; A68-C72 PolarHBondContact O-N 3.06Å; A68-C72 PolarHBondContact O-SG 2.8Å; V69-C72 PolarHBondContact O-N 3.42Å; C72-H76 PolarHBondContact O-CD2 2.94Å; C72-H76 PolarHBondContact O-N 2.91Å
73R67.3Low71.8Confident141 Ų14163.5 Ų63.553%0.53234%0.342SS..Hα-helixtrans-70.7-37174.6-76.9-178.7-179.2-176.22.6111.7V69 K70 E71 H76 S77V69-R73 HydrophobicContact CG1-CG 4.34Å; V69-R73 VanDerWaalsContact O-CB 3.29Å; V69-R73 WeakPolarHBondContact O-CB 3.37Å; V69-R73 VanDerWaalsContact O-CG 3.28Å; V69-R73 WeakPolarHBondContact O-CG 3.45Å; V69-R73 PolarHBondContact O-N 3.25Å; K70-R73 CarbonylContact O-C 3.6Å; K70-R73 PolarHBondContact O-N 3.25Å; E71-R73 VanDerWaalsContact C-N 3.28Å; E71-R73 PolarHBondContact O-N 2.65Å; R73-H76 CarbonylContact O-C 3.47Å; R73-H76 VanDerWaalsContact O-C 3.26Å; R73-H76 WeakPolarHBondContact O-CA 3.44Å; R73-H76 PolarHBondContact O-N 3.07Å; R73-H76 VanDerWaalsContact O-N 3.16Å; R73-S77 PolarHBondContact O-N 2.92Å
74A57Low72.3Confident58 Ų5863.3 Ų63.348%0.47933%0.328SS..Hα-helixtrans-67.3-37.3176.600000111.3K70 E71 H76 S77K70-A74 WeakPolarHBondContact O-CB 3.43Å; K70-A74 PolarHBondContact O-N 3.36Å; E71-A74 CarbonylContact O-C 3.26Å; E71-A74 PolarHBondContact O-N 3.2Å; E71-A74 VanDerWaalsContact O-N 3.1Å; A74-H76 PolarHBondContact O-N 2.89Å; A74-S77 VanDerWaalsContact O-CB 3.28Å; A74-S77 WeakPolarHBondContact O-CB 3.46Å; A74-S77 PolarHBondContact O-N 3.36Å
75E52.9Low72.9Confident81 Ų8162.6 Ų62.638%0.37933%0.325SS..Hα-helixtrans-59.6-37.1170.3-75.8-171.5168.800112.1K45 E71K45-E75 WeakPolarHBondContact CE-OE2 3.34Å; K45-E75 IonicContact NZ-OE2 3.66Å; K45-E75 PolarHBondContact NZ-OE2 3.39Å; E71-E75 PolarHBondContact O-N 3.01Å
76H48.4Very low73.4Confident136 Ų13662.7 Ų62.763%0.6333%0.326SS*.THydrogen-bonded Turntrans-86.5-6.5174-71.3-56.2000113.9K45 C72 R73 A74 T78K45-H76 PolarHBondContact NZ-NE2 3.04Å; C72-H76 PolarHBondContact O-CD2 2.94Å; C72-H76 PolarHBondContact O-N 2.91Å; R73-H76 CarbonylContact O-C 3.47Å; R73-H76 VanDerWaalsContact O-C 3.26Å; R73-H76 WeakPolarHBondContact O-CA 3.44Å; R73-H76 PolarHBondContact O-N 3.07Å; R73-H76 VanDerWaalsContact O-N 3.16Å; A74-H76 PolarHBondContact O-N 2.89Å; H76-T78 PolarHBondContact O-N 3.31Å
77S46.3Very low73.8Confident50 Ų5062.7 Ų62.735%0.3533%0.328SS..  trans-68.5120.2177.9-1700000106.7R73 A74 D79R73-S77 PolarHBondContact O-N 2.92Å; A74-S77 VanDerWaalsContact O-CB 3.28Å; A74-S77 WeakPolarHBondContact O-CB 3.46Å; A74-S77 PolarHBondContact O-N 3.36Å; S77-D79 PolarHBondContact O-N 3.46Å
78T48Very low74.6Confident96 Ų9660.7 Ų60.759%0.58931%0.311SS*.SBendtrans-67.4-12.5-177.6400000112.6H76 N80H76-T78 PolarHBondContact O-N 3.31Å; T78-N80 PolarHBondContact O-N 3.09Å
79D54.6Low75Confident130 Ų13063.5 Ų63.570%0.69532%0.324SS*.  trans-82.451.3-177.8-56.6-13000110.9S77 I81S77-D79 PolarHBondContact O-N 3.46Å; D79-I81 PolarHBondContact O-N 3.27Å; D79-I81 VanDerWaalsContact O-N 3.07Å
80N68.9Low75.5Confident51 Ų5166.5 Ų66.527%0.27335%0.345SS..  trans-67.7108.7170.3-69.8-55000107.8T78 V82 K274 M275T78-N80 PolarHBondContact O-N 3.09Å; N80-V82 WeakPolarHBondContact O-CG1 3.35Å; N80-V82 PolarHBondContact O-N 3.34Å; N80-K274 VanDerWaalsContact OD1-CE 3.23Å; N80-K274 WeakPolarHBondContact OD1-CE 3.24Å; N80-K274 PolarHBondContact OD1-NZ 2.79Å; N80-M275 HydrophobicContact CB-CE 4.04Å
81I83Confident76.3Confident99 Ų9960.1 Ų60.151%0.50832%0.319SS..  trans-64.6102.9173.8-58.5173.9000107.6D79 L83 Y84D79-I81 PolarHBondContact O-N 3.27Å; D79-I81 VanDerWaalsContact O-N 3.07Å; I81-L83 WeakPolarHBondContact CG2-O 3.29Å; I81-Y84 HydrophobicContact CB-CE1 4.41Å; I81-Y84 HydrophobicContact CG2-CD1 4.32Å; I81-Y84 HydrophobicContact CG2-CE1 4.01Å; I81-Y84 HydrophobicContact CG2-CE2 4.26Å; I81-Y84 VanDerWaalsContact O-CE2 3.22Å; I81-Y84 WeakPolarHBondContact O-CE2 3.43Å; I81-Y84 PolarHBondContact O-OH 3.27Å
82V89.1Confident77.1Confident23 Ų2358.5 Ų58.514%0.13932%0.315CS..  trans-83.3-23179.8-61.50000112.4N80 L278 V320 L430 Y431N80-V82 WeakPolarHBondContact O-CG1 3.35Å; N80-V82 PolarHBondContact O-N 3.34Å; V82-L278 HydrophobicContact CG1-CD2 3.86Å; V82-V320 HydrophobicContact CG2-CG1 4.37Å; V82-L430 HydrophobicContact CG2-CD1 4.48Å; V82-L430 CarbonylContact O-C 3.22Å; V82-L430 WeakPolarHBondContact O-CA 3.2Å; V82-Y431 HydrophobicContact CB-CD1 4.09Å; V82-Y431 HydrophobicContact CB-CE1 3.78Å; V82-Y431 HydrophobicContact CB-CE2 4.24Å; V82-Y431 HydrophobicContact CB-CG 4.44Å; V82-Y431 HydrophobicContact CG1-CD1 3.92Å; V82-Y431 HydrophobicContact CG1-CE1 3.35Å; V82-Y431 PolarHBondContact O-N 3.22Å
83L93.4Very high78Confident3 Ų358.6 Ų58.62%0.01631%0.312CS..EExtended strand (participates in β ladder)trans-123.7115.8-175.9175.362.5000111.3I81 V320 A321 K376 I378 L428 R429 L430I81-L83 WeakPolarHBondContact CG2-O 3.29Å; L83-V320 HydrophobicContact CB-CG1 4.1Å; L83-V320 HydrophobicContact CD2-CG1 3.98Å; L83-A321 HydrophobicContact CD2-CB 3.76Å; L83-K376 HydrophobicContact CD2-CB 4.36Å; L83-K376 HydrophobicContact CD2-CD 3.82Å; L83-K376 HydrophobicContact CD2-CG 4.22Å; L83-K376 PolarHBondContact O-NZ 3.27Å; L83-I378 HydrophobicContact CD2-CD1 4.35Å; L83-L428 HydrophobicContact CD1-CB 4.36Å; L83-R429 CarbonylContact C-O 3.48Å; L83-R429 WeakPolarHBondContact CA-O 3.45Å; L83-L430 HydrophobicContact CB-CD1 4.29Å; L83-L430 HydrophobicContact CD1-CB 4.34Å
84Y93.7Very high79.1Confident58 Ų5852.1 Ų52.123%0.22729%0.288CS..EExtended strand (participates in β ladder)trans-104.5131.7170.2-56.6-96.5000109.7I81 G260 L428 R429I81-Y84 HydrophobicContact CB-CE1 4.41Å; I81-Y84 HydrophobicContact CG2-CD1 4.32Å; I81-Y84 HydrophobicContact CG2-CE1 4.01Å; I81-Y84 HydrophobicContact CG2-CE2 4.26Å; I81-Y84 VanDerWaalsContact O-CE2 3.22Å; I81-Y84 WeakPolarHBondContact O-CE2 3.43Å; I81-Y84 PolarHBondContact O-OH 3.27Å; Y84-G260 WeakPolarHBondContact CD1-O 3.48Å; Y84-L428 VanDerWaalsContact O-CA 3.3Å; Y84-L428 WeakPolarHBondContact O-CA 3.23Å; Y84-R429 HydrophobicContact CD2-CB 4.19Å; Y84-R429 HydrophobicContact CD2-CG 4.15Å; Y84-R429 PolarHBondContact N-O 3.49Å; Y84-R429 PolarHBondContact O-N 2.99Å
85V95.7Very high80.8Confident31 Ų3155.3 Ų55.319%0.18829%0.287CS..EExtended strand (participates in β ladder)trans-108.5121.4171.2-174.90000107I378 H420 A422 L428V85-I378 HydrophobicContact CG2-CD1 3.84Å; V85-I378 HydrophobicContact CG2-CG1 4.31Å; V85-H420 HydrophobicContact CG1-CB 4.24Å; V85-H420 HydrophobicContact CG2-CB 4.24Å; V85-A422 HydrophobicContact CG1-CB 3.96Å; V85-L428 HydrophobicContact CB-CD2 4.07Å; V85-L428 HydrophobicContact CG1-CD2 3.82Å; V85-L428 HydrophobicContact CG2-CD2 3.87Å
86I95.4Very high82.8Confident2 Ų252.8 Ų52.81%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-117.5114.4-170.2-46.4170.1000107.7S90 V91 F258 G260 R427I86-S90 VanDerWaalsContact CG2-OG 3.3Å; I86-S90 WeakPolarHBondContact CG2-OG 3.48Å; I86-V91 HydrophobicContact CG2-CG2 4.44Å; I86-F258 HydrophobicContact CD1-CD1 3.83Å; I86-F258 HydrophobicContact CD1-CE1 3.87Å; I86-G260 VanDerWaalsContact CD1-CA 3.5Å; I86-R427 WeakPolarHBondContact CA-O 3.17Å; I86-R427 HydrophobicContact CB-CB 4.05Å; I86-R427 WeakPolarHBondContact CB-O 3.37Å; I86-R427 HydrophobicContact CD1-CB 4.15Å; I86-R427 PolarHBondContact N-O 3.02Å; I86-R427 PolarHBondContact O-N 3.07Å
87D94.4Very high85Confident64 Ų6447.5 Ų47.534%0.34225%0.254SS..EExtended strand (participates in β ladder)trans-69.5145.2174.1-78.6-60.1000110.8F89 S90 V91 S423D87-F89 PolarHBondContact O-N 2.85Å; D87-F89 VanDerWaalsContact O-N 3.09Å; D87-S90 PolarHBondContact N-OG 3.23Å; D87-S90 WeakPolarHBondContact O-CA 3.47Å; D87-S90 PolarHBondContact O-N 2.73Å; D87-S90 PolarHBondContact O-OG 2.85Å; D87-V91 PolarHBondContact O-N 3.07Å; D87-S423 WeakPolarHBondContact CA-OG 3.47Å; D87-S423 WeakPolarHBondContact OD1-CB 3.36Å; D87-S423 PolarHBondContact OD1-N 2.81Å; D87-S423 PolarHBondContact OD1-OG 2.83Å
88A94.5Very high87.1Confident2 Ų252.7 Ų52.72%0.01727%0.27CS..G310 helixtrans-50.3-36.1176.100000112.7S90 V91 P395 S423 P425 A546A88-S90 PolarHBondContact O-N 2.66Å; A88-V91 WeakPolarHBondContact O-CB 3.36Å; A88-V91 PolarHBondContact O-N 2.9Å; A88-P395 HydrophobicContact CB-CB 3.42Å; A88-P395 VanDerWaalsContact CB-CB 3.42Å; A88-P395 HydrophobicContact CB-CG 3.75Å; A88-S423 WeakPolarHBondContact CB-OG 3.42Å; A88-S423 PolarHBondContact N-OG 3.1Å; A88-P425 WeakPolarHBondContact CB-O 3.18Å; A88-A546 HydrophobicContact CB-CB 3.73Å; A88-A546 VanDerWaalsContact O-CB 3.26Å; A88-A546 WeakPolarHBondContact O-CB 3.45Å
89F91.8Very high89.3Confident59 Ų5953.8 Ų53.826%0.25928%0.279SS..G310 helixtrans-76.9-10.7-179.3-53-80.8000113.8D87 P395 P397 Y543D87-F89 PolarHBondContact O-N 2.85Å; D87-F89 VanDerWaalsContact O-N 3.09Å; F89-P395 HydrophobicContact CE1-CB 4.33Å; F89-P395 HydrophobicContact CE2-CB 4.4Å; F89-P395 HydrophobicContact CZ-CB 3.98Å; F89-P397 HydrophobicContact CE2-CB 4.21Å; F89-Y543 HydrophobicContact CB-CE1 4.04Å; F89-Y543 AromaticContact CD1-CD1 3.78Å; F89-Y543 HydrophobicContact CD1-CD1 3.78Å; F89-Y543 HydrophobicContact CD1-CD2 4.24Å; F89-Y543 AromaticContact CD1-CE1 3.6Å; F89-Y543 HydrophobicContact CD1-CE1 3.6Å; F89-Y543 HydrophobicContact CD1-CE2 4.07Å; F89-Y543 HydrophobicContact CD1-CG 4.11Å; F89-Y543 AromaticContact CD1-CZ 3.75Å; F89-Y543 HydrophobicContact CE1-CD2 4.36Å; F89-Y543 HydrophobicContact CE1-CE2 4.42Å; F89-Y543 HydrophobicContact CE1-CG 4.4Å; F89-Y543 HydrophobicContact CG-CE1 4.3Å
90S90.7Very high91.1Very high69 Ų6953 Ų5348%0.48327%0.274SS..G310 helixtrans-102.4-0.6174.469.20000112.8I86 D87 A88 P92I86-S90 VanDerWaalsContact CG2-OG 3.3Å; I86-S90 WeakPolarHBondContact CG2-OG 3.48Å; D87-S90 PolarHBondContact N-OG 3.23Å; D87-S90 WeakPolarHBondContact O-CA 3.47Å; D87-S90 PolarHBondContact O-N 2.73Å; D87-S90 PolarHBondContact O-OG 2.85Å; A88-S90 PolarHBondContact O-N 2.66Å; S90-P92 WeakPolarHBondContact O-CD 3.34Å
91V92.3Very high92.3Very high17 Ų1758.4 Ų58.410%0.10330%0.295CS..SBendtrans-65.3126.6177.8171.10000109.5I86 D87 A88 Y93 R427 Q545 A546I86-V91 HydrophobicContact CG2-CG2 4.44Å; D87-V91 PolarHBondContact O-N 3.07Å; A88-V91 WeakPolarHBondContact O-CB 3.36Å; A88-V91 PolarHBondContact O-N 2.9Å; V91-Y93 PolarHBondContact O-N 3.08Å; V91-R427 VanDerWaalsContact CG1-CZ 3.47Å; V91-R427 HydrophobicContact CG2-CG 4.38Å; V91-Q545 HydrophobicContact CG1-CG 4.33Å; V91-A546 HydrophobicContact CB-CB 4.33Å; V91-A546 HydrophobicContact CG2-CB 4.37Å
92P90.2Very high92.8Very high40 Ų4058 Ų5826%0.2629%0.29SS..PPolyproline II helixtrans-61.5137.2178.1-24.534.5000112.5S90 F94 Q545S90-P92 WeakPolarHBondContact O-CD 3.34Å; P92-F94 HydrophobicContact CB-CE1 4.48Å; P92-F94 HydrophobicContact CB-CE2 3.62Å; P92-F94 HydrophobicContact CB-CZ 3.51Å; P92-F94 WeakPolarHBondContact O-CE2 3.14Å; P92-Q545 WeakPolarHBondContact O-CG 3.39Å
93Y89.4Confident93.1Very high21 Ų2157 Ų578%0.08228%0.284CS..PPolyproline II helixtrans-101.2134.5176.5-159.5172.3000110.9V91 P105 F106 P108 F127 Y542 Q545V91-Y93 PolarHBondContact O-N 3.08Å; Y93-P105 CarbonylContact O-C 3.49Å; Y93-P105 WeakPolarHBondContact O-CA 3.23Å; Y93-F106 WeakPolarHBondContact CB-O 3.3Å; Y93-F106 AromaticContact CD1-CD1 3.88Å; Y93-F106 HydrophobicContact CD1-CD1 3.88Å; Y93-F106 HydrophobicContact CD1-CE1 4.43Å; Y93-F106 HydrophobicContact CD2-CD1 4.27Å; Y93-F106 AromaticContact CE1-CD1 3.99Å; Y93-F106 HydrophobicContact CE1-CD1 3.99Å; Y93-F106 HydrophobicContact CE1-CE1 4.2Å; Y93-F106 HydrophobicContact CE2-CD1 4.34Å; Y93-F106 HydrophobicContact CG-CD1 4.05Å; Y93-F106 PolarHBondContact O-N 3.47Å; Y93-P108 HydrophobicContact CD1-CG 4.22Å; Y93-F127 HydrophobicContact CE2-CE1 4.09Å; Y93-F127 AromaticContact CZ-CE1 3.76Å; Y93-F127 VanDerWaalsContact OH-CE1 3.25Å; Y93-F127 WeakPolarHBondContact OH-CE1 3.27Å; Y93-Y542 VanDerWaalsContact CE1-O 3.28Å; Y93-Y542 WeakPolarHBondContact CE1-O 3.43Å; Y93-Q545 HydrophobicContact CD1-CB 4.47Å; Y93-Q545 HydrophobicContact CD2-CB 3.6Å; Y93-Q545 HydrophobicContact CD2-CG 3.76Å; Y93-Q545 HydrophobicContact CE2-CB 3.82Å; Y93-Q545 HydrophobicContact CE2-CG 4.36Å; Y93-Q545 HydrophobicContact CG-CB 3.97Å; Y93-Q545 HydrophobicContact CG-CG 4.18Å
94F92Very high93.1Very high4 Ų458 Ų582%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-124.2156.1179.1-56.4-77.6000111P92 F103 V104 P105 H131 F252 V254 P257P92-F94 HydrophobicContact CB-CE1 4.48Å; P92-F94 HydrophobicContact CB-CE2 3.62Å; P92-F94 HydrophobicContact CB-CZ 3.51Å; P92-F94 WeakPolarHBondContact O-CE2 3.14Å; F94-F103 HydrophobicContact CB-CB 4.11Å; F94-F103 HydrophobicContact CB-CD1 4.41Å; F94-V104 CarbonylContact C-O 3.56Å; F94-V104 WeakPolarHBondContact CA-O 3.26Å; F94-P105 HydrophobicContact CD1-CG 4.44Å; F94-P105 HydrophobicContact CE1-CG 4.16Å; F94-H131 PolarHBondContact O-NE2 3.31Å; F94-F252 HydrophobicContact CB-CE1 4.2Å; F94-F252 HydrophobicContact CD1-CD1 4.08Å; F94-F252 HydrophobicContact CD1-CE1 4.34Å; F94-F252 HydrophobicContact CD2-CD1 4.11Å; F94-F252 AromaticContact CD2-CE1 3.63Å; F94-F252 HydrophobicContact CD2-CE1 3.63Å; F94-F252 HydrophobicContact CE1-CD1 4.33Å; F94-F252 HydrophobicContact CE2-CD1 4.32Å; F94-F252 HydrophobicContact CE2-CE1 4.1Å; F94-F252 AromaticContact CG-CD1 3.98Å; F94-F252 HydrophobicContact CG-CD1 3.98Å; F94-F252 AromaticContact CG-CE1 3.77Å; F94-F252 HydrophobicContact CG-CE1 3.77Å; F94-F252 HydrophobicContact CZ-CD1 4.45Å; F94-V254 HydrophobicContact CD1-CG2 4.36Å; F94-V254 HydrophobicContact CE1-CB 4.28Å; F94-V254 HydrophobicContact CE1-CG1 3.98Å; F94-V254 HydrophobicContact CE1-CG2 3.3Å; F94-V254 HydrophobicContact CZ-CG2 3.5Å; F94-V254 VanDerWaalsContact CZ-CG2 3.5Å; F94-P257 HydrophobicContact CE2-CB 3.92Å; F94-P257 HydrophobicContact CZ-CB 4.05Å
95R92.4Very high93Very high125 Ų12558.7 Ų58.747%0.47230%0.301SS..EExtended strand (participates in β ladder)trans-131.5149.8164.867.3179.6178.3170.72.7109.1F103 V104 F106 F127R95-F103 CarbonylContact O-C 3.52Å; R95-F103 WeakPolarHBondContact O-CA 3.44Å; R95-V104 HydrophobicContact CG-CG2 3.81Å; R95-V104 PolarHBondContact N-O 2.91Å; R95-V104 WeakPolarHBondContact O-CG2 3.47Å; R95-V104 PolarHBondContact O-N 3.43Å; R95-F106 HydrophobicContact CB-CB 4.11Å; R95-F106 HydrophobicContact CB-CG 4.37Å; R95-F106 HydrophobicContact CG-CB 4.03Å; R95-F106 HydrophobicContact CG-CD2 4.3Å; R95-F106 HydrophobicContact CG-CG 4.39Å; R95-F127 HydrophobicContact CB-CZ 4.29Å
96F93.7Very high92.5Very high29 Ų2959.3 Ų59.313%0.12730%0.301CS..EExtended strand (participates in β ladder)trans-76.2128.4174.1-167.3-103.8000111K98 K101 F103 E134 Q138F96-K98 HydrophobicContact CD1-CG 4.41Å; F96-K101 VanDerWaalsContact CE2-C 3.49Å; F96-K101 VanDerWaalsContact CZ-C 3.47Å; F96-K101 HydrophobicContact CZ-CB 4.37Å; F96-F103 HydrophobicContact CB-CD1 4.03Å; F96-F103 HydrophobicContact CB-CE1 3.77Å; F96-F103 HydrophobicContact CB-CZ 4.3Å; F96-F103 HydrophobicContact CD2-CD1 4.18Å; F96-F103 HydrophobicContact CD2-CD2 4.02Å; F96-F103 HydrophobicContact CD2-CE1 4.02Å; F96-F103 AromaticContact CD2-CE2 3.85Å; F96-F103 HydrophobicContact CD2-CE2 3.85Å; F96-F103 HydrophobicContact CD2-CG 4.15Å; F96-F103 AromaticContact CD2-CZ 3.83Å; F96-F103 HydrophobicContact CD2-CZ 3.83Å; F96-F103 HydrophobicContact CE2-CE2 4.4Å; F96-F103 HydrophobicContact CG-CE1 4.36Å; F96-F103 HydrophobicContact CG-CZ 4.45Å; F96-E134 HydrophobicContact CB-CG 3.58Å; F96-E134 HydrophobicContact CD1-CG 4.29Å; F96-E134 WeakPolarHBondContact CD1-OE1 3.43Å; F96-E134 HydrophobicContact CG-CG 4.15Å; F96-Q138 HydrophobicContact CD1-CG 4.11Å; F96-Q138 HydrophobicContact CD2-CG 3.84Å; F96-Q138 VanDerWaalsContact CE1-CD 3.41Å; F96-Q138 HydrophobicContact CE1-CG 4.04Å; F96-Q138 HydrophobicContact CE2-CG 3.76Å; F96-Q138 HydrophobicContact CG-CG 4Å; F96-Q138 HydrophobicContact CZ-CG 3.85Å; F96-Q138 VanDerWaalsContact CZ-OE1 3.23Å
97S94.9Very high91.5Very high24 Ų2465.2 Ų65.217%0.16834%0.337CS..EExtended strand (participates in β ladder)trans-98.7108.7173175.60000109.2P99 L100 K101 K102S97-P99 WeakPolarHBondContact OG-CD 3.48Å; S97-L100 PolarHBondContact O-N 3.3Å; S97-L100 PolarHBondContact OG-N 3.47Å; S97-K101 WeakPolarHBondContact O-CA 3.25Å; S97-K101 PolarHBondContact O-N 3.34Å; S97-K102 WeakPolarHBondContact CB-O 3.33Å; S97-K102 PolarHBondContact N-O 3.14Å; S97-K102 PolarHBondContact O-N 3.49Å
98K91Very high90.2Very high159 Ų15963.1 Ų63.169%0.69133%0.327SS*.THydrogen-bonded Turntrans-56-43.9176.8-62.1-177.5179.8-178.60112.8F96 L100 K101F96-K98 HydrophobicContact CD1-CG 4.41Å; K98-L100 PolarHBondContact O-N 2.62Å; K98-K101 PolarHBondContact O-N 3.35Å
99P93.4Very high88.6Confident120 Ų12067.8 Ų67.878%0.77937%0.365SS*.THydrogen-bonded Turntrans-62.3-41.8177.3-24.434.9000113.5S97 K101S97-P99 WeakPolarHBondContact OG-CD 3.48Å; P99-K101 VanDerWaalsContact C-N 3.33Å
100L93.4Very high87Confident112 Ų11268.9 Ų68.959%0.58637%0.374SS*.THydrogen-bonded Turntrans-85.1-10.2-178.2-62.5174.7000113S97 K98 K102 V104S97-L100 PolarHBondContact O-N 3.3Å; S97-L100 PolarHBondContact OG-N 3.47Å; K98-L100 PolarHBondContact O-N 2.62Å; L100-K102 HydrophobicContact CB-CB 4.46Å; L100-K102 WeakPolarHBondContact O-CG 3.44Å; L100-K102 PolarHBondContact O-N 2.9Å; L100-V104 HydrophobicContact CD1-CG1 3.79Å
101K93.2Very high85.6Confident166 Ų16670.3 Ų70.372%0.72238%0.384SS*.THydrogen-bonded Turntrans4836.9-170.5-60-176.6178.1-179.10112.7F96 S97 K98 P99F96-K101 VanDerWaalsContact CE2-C 3.49Å; F96-K101 VanDerWaalsContact CZ-C 3.47Å; F96-K101 HydrophobicContact CZ-CB 4.37Å; S97-K101 WeakPolarHBondContact O-CA 3.25Å; S97-K101 PolarHBondContact O-N 3.34Å; K98-K101 PolarHBondContact O-N 3.35Å; P99-K101 VanDerWaalsContact C-N 3.33Å
102K94.7Very high84Confident91 Ų9173.8 Ų73.840%0.39641%0.409SS..EExtended strand (participates in β ladder)trans-143.5151.9-176.1-73.4-173.4179.3-171.50112.2S97 L100 V104 A251S97-K102 WeakPolarHBondContact CB-O 3.33Å; S97-K102 PolarHBondContact N-O 3.14Å; S97-K102 PolarHBondContact O-N 3.49Å; L100-K102 HydrophobicContact CB-CB 4.46Å; L100-K102 WeakPolarHBondContact O-CG 3.44Å; L100-K102 PolarHBondContact O-N 2.9Å; K102-V104 PolarHBondContact O-N 3.46Å; K102-A251 CarbonylContact C-O 3.56Å; K102-A251 WeakPolarHBondContact CA-O 3.23Å; K102-A251 WeakPolarHBondContact CB-O 3.32Å
103F94.9Very high82.4Confident2 Ų274.6 Ų74.61%0.00941%0.409CS..EExtended strand (participates in β ladder)trans-70.4120.8165.2-69-79.9000109.9F94 R95 F96 V135 Q138 A251 F252 S253F94-F103 HydrophobicContact CB-CB 4.11Å; F94-F103 HydrophobicContact CB-CD1 4.41Å; R95-F103 CarbonylContact O-C 3.52Å; R95-F103 WeakPolarHBondContact O-CA 3.44Å; F96-F103 HydrophobicContact CB-CD1 4.03Å; F96-F103 HydrophobicContact CB-CE1 3.77Å; F96-F103 HydrophobicContact CB-CZ 4.3Å; F96-F103 HydrophobicContact CD2-CD1 4.18Å; F96-F103 HydrophobicContact CD2-CD2 4.02Å; F96-F103 HydrophobicContact CD2-CE1 4.02Å; F96-F103 AromaticContact CD2-CE2 3.85Å; F96-F103 HydrophobicContact CD2-CE2 3.85Å; F96-F103 HydrophobicContact CD2-CG 4.15Å; F96-F103 AromaticContact CD2-CZ 3.83Å; F96-F103 HydrophobicContact CD2-CZ 3.83Å; F96-F103 HydrophobicContact CE2-CE2 4.4Å; F96-F103 HydrophobicContact CG-CE1 4.36Å; F96-F103 HydrophobicContact CG-CZ 4.45Å; F103-V135 HydrophobicContact CE1-CG2 3.87Å; F103-V135 HydrophobicContact CZ-CG2 4.1Å; F103-Q138 HydrophobicContact CZ-CB 4.38Å; F103-Q138 HydrophobicContact CZ-CG 4.46Å; F103-A251 HydrophobicContact CD2-CB 4.12Å; F103-A251 HydrophobicContact CE2-CB 4.32Å; F103-A251 PolarHBondContact N-O 3.23Å; F103-F252 HydrophobicContact CB-CD1 3.48Å; F103-F252 VanDerWaalsContact CB-CD1 3.48Å; F103-F252 HydrophobicContact CB-CE1 3.65Å; F103-F252 HydrophobicContact CB-CG 3.99Å; F103-F252 HydrophobicContact CB-CZ 4.28Å; F103-F252 HydrophobicContact CD2-CD2 4.31Å; F103-F252 HydrophobicContact CD2-CE1 4.31Å; F103-F252 HydrophobicContact CD2-CE2 4.07Å; F103-F252 HydrophobicContact CD2-CZ 4.08Å; F103-F252 HydrophobicContact CG-CD1 4.22Å; F103-F252 AromaticContact CG-CE1 3.96Å; F103-F252 HydrophobicContact CG-CE1 3.96Å; F103-F252 HydrophobicContact CG-CZ 4.13Å; F103-S253 WeakPolarHBondContact O-CB 3.38Å; F103-S253 PolarHBondContact O-N 2.58Å; F103-S253 PolarHBondContact O-OG 3.4Å
104V93.9Very high81.2Confident22 Ų2274.4 Ų74.413%0.13341%0.41CS..EExtended strand (participates in β ladder)trans-111.8146.7178.1-63.80000110.4F94 R95 L100 K102 F106 S253F94-V104 CarbonylContact C-O 3.56Å; F94-V104 WeakPolarHBondContact CA-O 3.26Å; R95-V104 HydrophobicContact CG-CG2 3.81Å; R95-V104 PolarHBondContact N-O 2.91Å; R95-V104 WeakPolarHBondContact O-CG2 3.47Å; R95-V104 PolarHBondContact O-N 3.43Å; L100-V104 HydrophobicContact CD1-CG1 3.79Å; K102-V104 PolarHBondContact O-N 3.46Å; V104-F106 PolarHBondContact O-N 3.37Å; V104-S253 WeakPolarHBondContact CA-OG 3.4Å
105P90.7Very high79.7Confident73 Ų7382 Ų8247%0.47444%0.438SS..EExtended strand (participates in β ladder)trans-50.6136.3173.6-27.735.8000111.1Y93 F94 V254Y93-P105 CarbonylContact O-C 3.49Å; Y93-P105 WeakPolarHBondContact O-CA 3.23Å; F94-P105 HydrophobicContact CD1-CG 4.44Å; F94-P105 HydrophobicContact CE1-CG 4.16Å; P105-V254 HydrophobicContact CG-CG1 3.46Å; P105-V254 VanDerWaalsContact CG-CG1 3.46Å
106F85.8Confident78.4Confident45 Ų4579.7 Ų79.720%0.19744%0.435CS..  trans-122.5117.2176.6179.5-117.6000107.8Y93 R95 V104 P108 F127Y93-F106 WeakPolarHBondContact CB-O 3.3Å; Y93-F106 AromaticContact CD1-CD1 3.88Å; Y93-F106 HydrophobicContact CD1-CD1 3.88Å; Y93-F106 HydrophobicContact CD1-CE1 4.43Å; Y93-F106 HydrophobicContact CD2-CD1 4.27Å; Y93-F106 AromaticContact CE1-CD1 3.99Å; Y93-F106 HydrophobicContact CE1-CD1 3.99Å; Y93-F106 HydrophobicContact CE1-CE1 4.2Å; Y93-F106 HydrophobicContact CE2-CD1 4.34Å; Y93-F106 HydrophobicContact CG-CD1 4.05Å; Y93-F106 PolarHBondContact O-N 3.47Å; R95-F106 HydrophobicContact CB-CB 4.11Å; R95-F106 HydrophobicContact CB-CG 4.37Å; R95-F106 HydrophobicContact CG-CB 4.03Å; R95-F106 HydrophobicContact CG-CD2 4.3Å; R95-F106 HydrophobicContact CG-CG 4.39Å; V104-F106 PolarHBondContact O-N 3.37Å; F106-P108 HydrophobicContact CE1-CG 4.26Å; F106-F127 HydrophobicContact CD1-CE1 4.44Å; F106-F127 HydrophobicContact CD1-CZ 4.23Å; F106-F127 HydrophobicContact CE1-CE1 4.16Å; F106-F127 HydrophobicContact CE1-CZ 4.07Å; F106-F127 HydrophobicContact CZ-CZ 4.46Å
107V74.3Confident76.8Confident125 Ų12582.4 Ų82.476%0.75845%0.45SS*.  trans-106.5115.9173.6-175.90000106.3
108P66.3Low75.4Confident21 Ų2189.5 Ų89.514%0.13648%0.478CS..  trans-58.2142.5172.2-22.633.3000110.3Y93 F106 D110 N114 Y542Y93-P108 HydrophobicContact CD1-CG 4.22Å; F106-P108 HydrophobicContact CE1-CG 4.26Å; P108-D110 VanDerWaalsContact C-N 3.27Å; P108-D110 PolarHBondContact O-N 2.94Å; P108-N114 VanDerWaalsContact CB-OD1 3.29Å; P108-N114 WeakPolarHBondContact CB-OD1 3.28Å; P108-Y542 HydrophobicContact CB-CD1 3.94Å; P108-Y542 HydrophobicContact CB-CE1 4.26Å; P108-Y542 HydrophobicContact CG-CD1 4.07Å
109A61.4Low74.1Confident99 Ų9984 Ų8482%0.81846%0.458SS*.SBendtrans-57.3-37.4-171.600000113.3
110D59.2Low72.9Confident83 Ų8382.2 Ų82.244%0.44445%0.445SS..  trans-133.7123.2-176-76.5-45.4000114P108 S112 E113 N114P108-D110 VanDerWaalsContact C-N 3.27Å; P108-D110 PolarHBondContact O-N 2.94Å; D110-S112 VanDerWaalsContact C-N 3.33Å; D110-S112 PolarHBondContact O-N 3Å; D110-E113 HydrophobicContact CB-CB 4.38Å; D110-E113 HydrophobicContact CB-CG 3.87Å; D110-E113 PolarHBondContact O-N 2.96Å; D110-N114 PolarHBondContact O-OD1 3.45Å
111S59.7Low72Confident98 Ų9878.6 Ų78.669%0.68543%0.429SS*.THydrogen-bonded Turntrans-66.8-31.1-179.258.90000114.2E113 N114S111-E113 VanDerWaalsContact C-N 3.3Å; S111-N114 WeakPolarHBondContact O-CB 3.38Å; S111-N114 PolarHBondContact O-N 3.09Å
112S58.5Low71.2Confident91 Ų9175.8 Ų75.864%0.63643%0.428SS*.THydrogen-bonded Turntrans-67.9-31.9179.931.80000111.9D110 N114D110-S112 VanDerWaalsContact C-N 3.33Å; D110-S112 PolarHBondContact O-N 3Å; S112-N114 VanDerWaalsContact C-N 3.33Å
113E58.6Low70.7Confident57 Ų5776.8 Ų76.827%0.26644%0.437SS..G310 helixtrans-77.1-23.1179.2-58.4-167159.500112.5D110 S111 R115 L116 V120D110-E113 HydrophobicContact CB-CB 4.38Å; D110-E113 HydrophobicContact CB-CG 3.87Å; D110-E113 PolarHBondContact O-N 2.96Å; S111-E113 VanDerWaalsContact C-N 3.3Å; E113-R115 PolarHBondContact O-N 2.8Å; E113-R115 VanDerWaalsContact O-N 3.09Å; E113-L116 HydrophobicContact CB-CD1 4.22Å; E113-L116 HydrophobicContact CG-CD1 4.47Å; E113-L116 WeakPolarHBondContact O-CB 3.45Å; E113-L116 WeakPolarHBondContact O-CG 3.13Å; E113-L116 PolarHBondContact O-N 3.28Å; E113-L116 VanDerWaalsContact O-N 3.11Å; E113-V120 HydrophobicContact CB-CG2 4.15Å; E113-V120 HydrophobicContact CG-CG2 4.1Å
114N62.5Low70.1Confident17 Ų1777.2 Ų77.29%0.09144%0.441CS..G310 helixtrans-62.3-25.3-172.2-69.7-16.6000114.1P108 D110 S111 S112 Y542 Y543P108-N114 VanDerWaalsContact CB-OD1 3.29Å; P108-N114 WeakPolarHBondContact CB-OD1 3.28Å; D110-N114 PolarHBondContact O-OD1 3.45Å; S111-N114 WeakPolarHBondContact O-CB 3.38Å; S111-N114 PolarHBondContact O-N 3.09Å; S112-N114 VanDerWaalsContact C-N 3.33Å; N114-Y542 VanDerWaalsContact CA-CD2 3.49Å; N114-Y542 HydrophobicContact CB-CD2 4.35Å; N114-Y542 HydrophobicContact CB-CG 4.31Å; N114-Y542 VanDerWaalsContact OD1-CG 3.28Å; N114-Y543 HydrophobicContact CB-CE2 3.69Å; N114-Y543 WeakPolarHBondContact O-CD2 3.41Å; N114-Y543 WeakPolarHBondContact O-CE2 3.22Å
115R61.4Low69.7Low164 Ų16481.5 Ų81.562%0.61946%0.458SS*.G310 helixtrans-100.96.7-177.4-61.9-177.1-174.4-178.63.5113.5E113 Y540 Y543E113-R115 PolarHBondContact O-N 2.8Å; E113-R115 VanDerWaalsContact O-N 3.09Å; R115-Y540 WeakPolarHBondContact O-CE1 3.3Å; R115-Y543 HydrophobicContact CG-CE2 3.82Å
116L65.2Low69.6Low76 Ų7680.9 Ų80.940%0.39846%0.459SS..  trans-73.7135.3178.9-61.7175.5000110.5E113 F118 V120E113-L116 HydrophobicContact CB-CD1 4.22Å; E113-L116 HydrophobicContact CG-CD1 4.47Å; E113-L116 WeakPolarHBondContact O-CB 3.45Å; E113-L116 WeakPolarHBondContact O-CG 3.13Å; E113-L116 PolarHBondContact O-N 3.28Å; E113-L116 VanDerWaalsContact O-N 3.11Å; L116-F118 WeakPolarHBondContact CB-O 3.4Å; L116-V120 HydrophobicContact CD1-CG2 3.51Å
117I59.7Low69.7Low86 Ų8682 Ų8244%0.44146%0.464SS..SBendtrans-71.2-44.4176.2-60.9173.2000109.4P390 I393 Y540 W541I117-P390 HydrophobicContact CD1-CG 4.22Å; I117-I393 HydrophobicContact CD1-CD1 3.99Å; I117-I393 HydrophobicContact CG1-CD1 3.98Å; I117-I393 HydrophobicContact CG2-CD1 4.04Å; I117-Y540 HydrophobicContact CG1-CE1 4.12Å; I117-W541 PolarHBondContact O-NE1 3.05Å
118F65.5Low70.5Confident172 Ų17276.1 Ų76.175%0.75443%0.429SS*.SBendtrans-86.2127.5173.1-62.1-69.2000108.7L116L116-F118 WeakPolarHBondContact CB-O 3.4Å
119P64Low71.7Confident43 Ų4376.9 Ų76.928%0.27943%0.429SS..  trans-67.6139.8176.932.6-34000108.8S121 A124 W541P119-S121 WeakPolarHBondContact CB-O 3.28Å; P119-S121 PolarHBondContact O-N 3.13Å; P119-A124 HydrophobicContact CB-CB 3.77Å; P119-W541 HydrophobicContact CB-CD2 4.47Å; P119-W541 HydrophobicContact CB-CG 4.24Å; P119-W541 HydrophobicContact CG-CZ2 4.37Å
120V67.5Low73.3Confident84 Ų8474 Ų7451%0.50941%0.406SS..SBendtrans-65.2-29.1176-174.30000110.8E113 L116E113-V120 HydrophobicContact CB-CG2 4.15Å; E113-V120 HydrophobicContact CG-CG2 4.1Å; L116-V120 HydrophobicContact CD1-CG2 3.51Å
121S75.4Confident74.9Confident35 Ų3570.7 Ų70.725%0.24539%0.387CS..SBendtrans-133.8145.1175.2171.10000110.9P119 D123 A124P119-S121 WeakPolarHBondContact CB-O 3.28Å; P119-S121 PolarHBondContact O-N 3.13Å; S121-D123 PolarHBondContact O-N 3.33Å; S121-D123 WeakPolarHBondContact OG-CB 3.47Å; S121-D123 PolarHBondContact OG-N 3.19Å; S121-D123 PolarHBondContact OG-OD2 3.4Å; S121-A124 PolarHBondContact O-N 2.96Å; S121-A124 VanDerWaalsContact O-N 3.16Å
122P76.4Confident76.7Confident107 Ų10767.2 Ų67.270%0.69536%0.359SS*.THydrogen-bonded Turntrans-53.5-21.8167.725-36000113.6A124 K125 A126P122-A124 PolarHBondContact O-N 3.42Å; P122-K125 PolarHBondContact O-N 2.89Å; P122-A126 PolarHBondContact O-N 3.15Å
123D83.1Confident78.5Confident112 Ų11263.5 Ų63.560%0.59933%0.331SS*.Hα-helixtrans-58.4-30.1178.1-60.9-38.9000112.9S121 K125 A126 F127S121-D123 PolarHBondContact O-N 3.33Å; S121-D123 WeakPolarHBondContact OG-CB 3.47Å; S121-D123 PolarHBondContact OG-N 3.19Å; S121-D123 PolarHBondContact OG-OD2 3.4Å; D123-K125 PolarHBondContact O-N 3.36Å; D123-A126 PolarHBondContact O-N 2.83Å; D123-F127 WeakPolarHBondContact O-CB 3.25Å; D123-F127 PolarHBondContact O-N 3.32Å
124A82.1Confident80.3Confident11 Ų1162.2 Ų62.29%0.09133%0.325CS..Hα-helixtrans-65.1-40.2-179.500000111.9P119 S121 P122 L128 W541P119-A124 HydrophobicContact CB-CB 3.77Å; S121-A124 PolarHBondContact O-N 2.96Å; S121-A124 VanDerWaalsContact O-N 3.16Å; P122-A124 PolarHBondContact O-N 3.42Å; A124-L128 WeakPolarHBondContact O-CB 3.47Å; A124-L128 PolarHBondContact O-N 3.42Å; A124-L128 VanDerWaalsContact O-N 3.08Å; A124-W541 HydrophobicContact CB-CB 4.01Å; A124-W541 HydrophobicContact CB-CG 4.29Å
125K85.9Confident81.9Confident113 Ų11361.7 Ų61.749%0.49132%0.323SS..Hα-helixtrans-67.4-46.2174.8179.3-173.2173.7-168.10110.6P122 D123 F127 L128 Y129 W541P122-K125 PolarHBondContact O-N 2.89Å; D123-K125 PolarHBondContact O-N 3.36Å; K125-F127 VanDerWaalsContact C-N 3.33Å; K125-F127 PolarHBondContact O-N 3.29Å; K125-L128 PolarHBondContact O-N 3.05Å; K125-Y129 HydrophobicContact CD-CE2 4.45Å; K125-Y129 HydrophobicContact CG-CD2 4.08Å; K125-Y129 HydrophobicContact CG-CE2 3.77Å; K125-Y129 VanDerWaalsContact O-CD2 3.29Å; K125-Y129 WeakPolarHBondContact O-CD2 3.47Å; K125-Y129 PolarHBondContact O-N 3.27Å; K125-W541 HydrophobicContact CB-CE3 4.16Å; K125-W541 HydrophobicContact CB-CH2 4.14Å; K125-W541 HydrophobicContact CB-CZ3 3.73Å; K125-W541 HydrophobicContact CG-CH2 4.13Å; K125-W541 HydrophobicContact CG-CZ3 3.78Å
126A88.3Confident83.6Confident59 Ų5954 Ų5449%0.48829%0.294SS..Hα-helixtrans-60.4-45.8179.300000111P122 D123 L128 Y129 A130P122-A126 PolarHBondContact O-N 3.15Å; D123-A126 PolarHBondContact O-N 2.83Å; A126-L128 PolarHBondContact O-N 3.05Å; A126-Y129 PolarHBondContact O-N 3.22Å; A126-A130 WeakPolarHBondContact O-CB 3.12Å; A126-A130 PolarHBondContact O-N 3.3Å
127F89Confident85Confident69 Ų6952.9 Ų52.930%0.30329%0.285SS..Hα-helixtrans-59.4-44.9177.1-176.4-92.3000111.9Y93 R95 F106 D123 K125 Y129 A130 H131Y93-F127 HydrophobicContact CE2-CE1 4.09Å; Y93-F127 AromaticContact CZ-CE1 3.76Å; Y93-F127 VanDerWaalsContact OH-CE1 3.25Å; Y93-F127 WeakPolarHBondContact OH-CE1 3.27Å; R95-F127 HydrophobicContact CB-CZ 4.29Å; F106-F127 HydrophobicContact CD1-CE1 4.44Å; F106-F127 HydrophobicContact CD1-CZ 4.23Å; F106-F127 HydrophobicContact CE1-CE1 4.16Å; F106-F127 HydrophobicContact CE1-CZ 4.07Å; F106-F127 HydrophobicContact CZ-CZ 4.46Å; D123-F127 WeakPolarHBondContact O-CB 3.25Å; D123-F127 PolarHBondContact O-N 3.32Å; K125-F127 VanDerWaalsContact C-N 3.33Å; K125-F127 PolarHBondContact O-N 3.29Å; F127-Y129 PolarHBondContact O-N 3.45Å; F127-A130 PolarHBondContact O-N 2.91Å; F127-H131 HydrophobicContact CD1-CB 4.4Å; F127-H131 HydrophobicContact CE1-CB 4.14Å; F127-H131 HydrophobicContact CZ-CB 4.46Å; F127-H131 WeakPolarHBondContact O-CA 3.24Å; F127-H131 WeakPolarHBondContact O-CB 3.34Å; F127-H131 PolarHBondContact O-N 2.88Å
128L90.4Very high86.7Confident2 Ų249.9 Ų49.91%0.0127%0.269CS..Hα-helixtrans-55.2-54.1-180-176.1159.4000111.8A124 K125 A126 H131 R132 V539 W541 D544A124-L128 WeakPolarHBondContact O-CB 3.47Å; A124-L128 PolarHBondContact O-N 3.42Å; A124-L128 VanDerWaalsContact O-N 3.08Å; K125-L128 PolarHBondContact O-N 3.05Å; A126-L128 PolarHBondContact O-N 3.05Å; L128-H131 PolarHBondContact O-N 2.94Å; L128-R132 HydrophobicContact CD2-CG 4.49Å; L128-R132 WeakPolarHBondContact O-CG 3.25Å; L128-R132 PolarHBondContact O-N 3.16Å; L128-V539 HydrophobicContact CD1-CG2 3.76Å; L128-W541 HydrophobicContact CD1-CE3 3.82Å; L128-W541 HydrophobicContact CD1-CZ3 4.29Å; L128-D544 HydrophobicContact CD1-CB 3.69Å; L128-D544 HydrophobicContact CG-CB 3.89Å
129Y92.8Very high88Confident36 Ų3642 Ų4214%0.14123%0.234CC..Hα-helixtrans-72.5-39.1-178.2-65.3-66.8000112.6K125 A126 F127 H131 R132 Y133 L183 L533 G534K125-Y129 HydrophobicContact CD-CE2 4.45Å; K125-Y129 HydrophobicContact CG-CD2 4.08Å; K125-Y129 HydrophobicContact CG-CE2 3.77Å; K125-Y129 VanDerWaalsContact O-CD2 3.29Å; K125-Y129 WeakPolarHBondContact O-CD2 3.47Å; K125-Y129 PolarHBondContact O-N 3.27Å; A126-Y129 PolarHBondContact O-N 3.22Å; F127-Y129 PolarHBondContact O-N 3.45Å; Y129-H131 PolarHBondContact O-N 2.99Å; Y129-R132 PolarHBondContact O-N 3.19Å; Y129-Y133 WeakPolarHBondContact O-CB 3.46Å; Y129-Y133 PolarHBondContact O-N 2.92Å; Y129-L183 HydrophobicContact CD1-CD1 3.66Å; Y129-L183 HydrophobicContact CE1-CD1 4.37Å; Y129-L183 HydrophobicContact CG-CD1 4.29Å; Y129-L533 HydrophobicContact CD1-CD2 4.48Å; Y129-L533 HydrophobicContact CE1-CD2 3.65Å; Y129-L533 WeakPolarHBondContact OH-CA 3.18Å; Y129-G534 PolarHBondContact OH-N 3.46Å
130A94Very high89.4Confident40 Ų4039.9 Ų39.933%0.33122%0.221SC..Hα-helixtrans-60.8-37.2174.100000111.2A126 F127 Y133 E134A126-A130 WeakPolarHBondContact O-CB 3.12Å; A126-A130 PolarHBondContact O-N 3.3Å; F127-A130 PolarHBondContact O-N 2.91Å; A130-Y133 WeakPolarHBondContact O-CB 3.48Å; A130-Y133 PolarHBondContact O-N 3.41Å; A130-E134 VanDerWaalsContact O-CB 3.28Å; A130-E134 WeakPolarHBondContact O-CB 3.21Å; A130-E134 PolarHBondContact O-N 3.48Å
131H94Very high90.6Very high13 Ų1338.9 Ų38.96%0.0621%0.212CC..Hα-helixtrans-69.8-45.4177.2-177.3-105000112F94 F127 L128 Y129 Y133 E134 V135 Q545F94-H131 PolarHBondContact O-NE2 3.31Å; F127-H131 HydrophobicContact CD1-CB 4.4Å; F127-H131 HydrophobicContact CE1-CB 4.14Å; F127-H131 HydrophobicContact CZ-CB 4.46Å; F127-H131 WeakPolarHBondContact O-CA 3.24Å; F127-H131 WeakPolarHBondContact O-CB 3.34Å; F127-H131 PolarHBondContact O-N 2.88Å; L128-H131 PolarHBondContact O-N 2.94Å; Y129-H131 PolarHBondContact O-N 2.99Å; H131-Y133 VanDerWaalsContact C-N 3.29Å; H131-Y133 PolarHBondContact O-N 2.81Å; H131-E134 PolarHBondContact O-N 2.97Å; H131-V135 WeakPolarHBondContact O-CG2 3.31Å; H131-V135 PolarHBondContact O-N 3.28Å; H131-Q545 PolarHBondContact CE1-OE1 3.41Å; H131-Q545 VanDerWaalsContact CE1-OE1 3.27Å
132R95.7Very high91.2Very high24 Ų2440.9 Ų40.99%0.09121%0.214CC..Hα-helixtrans-57.6-43.4172.9-72.1-176.2-179.7-175.24.1111.4L128 Y129 I136 I220 H528 L530 L532 D544L128-R132 HydrophobicContact CD2-CG 4.49Å; L128-R132 WeakPolarHBondContact O-CG 3.25Å; L128-R132 PolarHBondContact O-N 3.16Å; Y129-R132 PolarHBondContact O-N 3.19Å; R132-I136 PolarHBondContact O-N 2.99Å; R132-I220 HydrophobicContact CB-CD1 4.04Å; R132-H528 VanDerWaalsContact CZ-CE1 3.47Å; R132-H528 PolarHBondContact NH2-CE1 3.48Å; R132-L530 PolarHBondContact NH1-O 2.98Å; R132-L532 PolarHBondContact NH1-O 3.1Å; R132-D544 IonicContact CZ-OD1 3.57Å; R132-D544 IonicContact CZ-OD2 3.45Å; R132-D544 IonicContact NE-OD1 3.74Å; R132-D544 PolarHBondContact NE-OD1 3.23Å; R132-D544 IonicContact NE-OD2 3.47Å; R132-D544 PolarHBondContact NE-OD2 3.45Å; R132-D544 IonicContact NH2-OD1 3.91Å; R132-D544 PolarHBondContact NH2-OD1 3.17Å; R132-D544 IonicContact NH2-OD2 2.65Å
133Y97.2Very high91.8Very high13 Ų1338.3 Ų38.35%0.05119%0.193CC..Hα-helixtrans-58.5-52.5173.3-178.5-84.7000111.7Y129 A130 H131 V135 I136 Y137 L181 D196 P197 I220Y129-Y133 WeakPolarHBondContact O-CB 3.46Å; Y129-Y133 PolarHBondContact O-N 2.92Å; A130-Y133 WeakPolarHBondContact O-CB 3.48Å; A130-Y133 PolarHBondContact O-N 3.41Å; H131-Y133 VanDerWaalsContact C-N 3.29Å; H131-Y133 PolarHBondContact O-N 2.81Å; Y133-V135 VanDerWaalsContact C-N 3.3Å; Y133-V135 PolarHBondContact O-N 3.39Å; Y133-I136 PolarHBondContact O-N 3.15Å; Y133-I136 VanDerWaalsContact O-N 3.14Å; Y133-Y137 AromaticContact CE1-CD2 3.98Å; Y133-Y137 HydrophobicContact CE1-CD2 3.98Å; Y133-Y137 AromaticContact CE1-CG 3.94Å; Y133-Y137 HydrophobicContact CE1-CG 3.94Å; Y133-Y137 VanDerWaalsContact O-CB 3.31Å; Y133-Y137 WeakPolarHBondContact O-CB 3.45Å; Y133-Y137 PolarHBondContact O-N 3.19Å; Y133-L181 HydrophobicContact CE1-CD2 4.48Å; Y133-L181 HydrophobicContact CE2-CB 4.28Å; Y133-L181 HydrophobicContact CE2-CD2 3.96Å; Y133-L181 HydrophobicContact CE2-CG 3.93Å; Y133-L181 VanDerWaalsContact CE2-O 3.24Å; Y133-L181 WeakPolarHBondContact CE2-O 3.34Å; Y133-L181 PolarHBondContact OH-O 2.96Å; Y133-L181 VanDerWaalsContact OH-O 3.05Å; Y133-D196 HydrophobicContact CD2-CB 4.32Å; Y133-D196 HydrophobicContact CE1-CB 4.44Å; Y133-D196 HydrophobicContact CE2-CB 3.56Å; Y133-P197 HydrophobicContact CD1-CG 3.8Å; Y133-P197 HydrophobicContact CE1-CG 4.18Å; Y133-P197 HydrophobicContact CG-CG 4.31Å; Y133-I220 HydrophobicContact CD2-CG2 4.46Å
134E96Very high91.9Very high30 Ų3040.6 Ų40.614%0.1420%0.2CC..Hα-helixtrans-59.5-40-177-171.367.6-147.800111.6F96 A130 H131 I136 Y137 Q138F96-E134 HydrophobicContact CB-CG 3.58Å; F96-E134 HydrophobicContact CD1-CG 4.29Å; F96-E134 WeakPolarHBondContact CD1-OE1 3.43Å; F96-E134 HydrophobicContact CG-CG 4.15Å; A130-E134 VanDerWaalsContact O-CB 3.28Å; A130-E134 WeakPolarHBondContact O-CB 3.21Å; A130-E134 PolarHBondContact O-N 3.48Å; H131-E134 PolarHBondContact O-N 2.97Å; E134-I136 VanDerWaalsContact C-N 3.34Å; E134-I136 PolarHBondContact O-N 3.24Å; E134-Y137 PolarHBondContact O-N 2.78Å; E134-Q138 HydrophobicContact CG-CG 4.37Å; E134-Q138 WeakPolarHBondContact O-CB 3.44Å; E134-Q138 WeakPolarHBondContact O-CG 3.47Å; E134-Q138 PolarHBondContact O-N 3Å; E134-Q138 PolarHBondContact OE1-NE2 2.93Å
135V96Very high92Very high7 Ų743.7 Ų43.74%0.04221%0.214CC..Hα-helixtrans-56.1-49.1175.6167.40000111.6F103 H131 Y133 R139 A527 N550F103-V135 HydrophobicContact CE1-CG2 3.87Å; F103-V135 HydrophobicContact CZ-CG2 4.1Å; H131-V135 WeakPolarHBondContact O-CG2 3.31Å; H131-V135 PolarHBondContact O-N 3.28Å; Y133-V135 VanDerWaalsContact C-N 3.3Å; Y133-V135 PolarHBondContact O-N 3.39Å; V135-R139 WeakPolarHBondContact O-CG 3.43Å; V135-R139 PolarHBondContact O-N 2.96Å; V135-A527 HydrophobicContact CG1-CB 4.13Å; V135-N550 HydrophobicContact CG1-CB 3.84Å; V135-N550 WeakPolarHBondContact CG1-ND2 3.01Å
136I96.8Very high91.9Very high3 Ų339.4 Ų39.42%0.01520%0.196CC..Hα-helixtrans-73.5-43-178.2-65.6-179.8000110.9R132 Y133 E134 Q138 R139 I140 L181 I220 P240R132-I136 PolarHBondContact O-N 2.99Å; Y133-I136 PolarHBondContact O-N 3.15Å; Y133-I136 VanDerWaalsContact O-N 3.14Å; E134-I136 VanDerWaalsContact C-N 3.34Å; E134-I136 PolarHBondContact O-N 3.24Å; I136-Q138 VanDerWaalsContact C-N 3.27Å; I136-Q138 PolarHBondContact O-N 3.2Å; I136-R139 WeakPolarHBondContact O-CA 3.32Å; I136-R139 WeakPolarHBondContact O-CB 3.26Å; I136-R139 PolarHBondContact O-N 3Å; I136-I140 HydrophobicContact CG2-CG1 4.41Å; I136-I140 WeakPolarHBondContact O-CG1 3.43Å; I136-I140 PolarHBondContact O-N 2.92Å; I136-L181 HydrophobicContact CG2-CD1 4.16Å; I136-L181 HydrophobicContact CG2-CD2 4.19Å; I136-I220 HydrophobicContact CB-CG2 4.3Å; I136-I220 HydrophobicContact CD1-CB 3.78Å; I136-I220 HydrophobicContact CD1-CD1 3.64Å; I136-I220 HydrophobicContact CD1-CG1 4.32Å; I136-I220 HydrophobicContact CD1-CG2 4.06Å; I136-I220 HydrophobicContact CG1-CD1 4.45Å; I136-I220 HydrophobicContact CG2-CG2 3.94Å; I136-P240 HydrophobicContact CD1-CG 4.49Å; I136-P240 HydrophobicContact CG2-CB 3.8Å; I136-P240 HydrophobicContact CG2-CG 3.53Å
137Y96.1Very high91.2Very high51 Ų5137.9 Ų37.920%0.218%0.182CC..Hα-helixtrans-54.2-45.9176.9-179.7-106000111.6Y133 E134 R139 I140 L141 L162 L181Y133-Y137 AromaticContact CE1-CD2 3.98Å; Y133-Y137 HydrophobicContact CE1-CD2 3.98Å; Y133-Y137 AromaticContact CE1-CG 3.94Å; Y133-Y137 HydrophobicContact CE1-CG 3.94Å; Y133-Y137 VanDerWaalsContact O-CB 3.31Å; Y133-Y137 WeakPolarHBondContact O-CB 3.45Å; Y133-Y137 PolarHBondContact O-N 3.19Å; E134-Y137 PolarHBondContact O-N 2.78Å; Y137-R139 VanDerWaalsContact C-N 3.32Å; Y137-R139 PolarHBondContact O-N 2.81Å; Y137-I140 PolarHBondContact O-N 2.73Å; Y137-L141 HydrophobicContact CD1-CD1 3.98Å; Y137-L141 HydrophobicContact CD1-CG 4.37Å; Y137-L141 HydrophobicContact CE1-CD1 3.39Å; Y137-L141 HydrophobicContact CE1-CD2 4.5Å; Y137-L141 HydrophobicContact CE1-CG 3.99Å; Y137-L141 HydrophobicContact CE2-CD2 4.44Å; Y137-L141 HydrophobicContact CE2-CG 4.48Å; Y137-L141 WeakPolarHBondContact O-CG 3.26Å; Y137-L141 PolarHBondContact O-N 2.81Å; Y137-L162 HydrophobicContact CD2-CD2 3.84Å; Y137-L162 HydrophobicContact CE2-CD2 3.53Å; Y137-L181 HydrophobicContact CD2-CD2 3.95Å; Y137-L181 HydrophobicContact CG-CD2 4.4Å
138Q94.8Very high89.9Confident23 Ų2343.1 Ų43.111%0.10721%0.207CC..Hα-helixtrans-65.2-33.4177.4-67.8-57.7-31.700112.7F96 F103 E134 I136 R142F96-Q138 HydrophobicContact CD1-CG 4.11Å; F96-Q138 HydrophobicContact CD2-CG 3.84Å; F96-Q138 VanDerWaalsContact CE1-CD 3.41Å; F96-Q138 HydrophobicContact CE1-CG 4.04Å; F96-Q138 HydrophobicContact CE2-CG 3.76Å; F96-Q138 HydrophobicContact CG-CG 4Å; F96-Q138 HydrophobicContact CZ-CG 3.85Å; F96-Q138 VanDerWaalsContact CZ-OE1 3.23Å; F103-Q138 HydrophobicContact CZ-CB 4.38Å; F103-Q138 HydrophobicContact CZ-CG 4.46Å; E134-Q138 HydrophobicContact CG-CG 4.37Å; E134-Q138 WeakPolarHBondContact O-CB 3.44Å; E134-Q138 WeakPolarHBondContact O-CG 3.47Å; E134-Q138 PolarHBondContact O-N 3Å; E134-Q138 PolarHBondContact OE1-NE2 2.93Å; I136-Q138 VanDerWaalsContact C-N 3.27Å; I136-Q138 PolarHBondContact O-N 3.2Å; Q138-R142 PolarHBondContact O-N 3.27Å; Q138-R142 PolarHBondContact O-NH1 2.86Å; Q138-R142 PolarHBondContact O-NH2 2.87Å
139R93.6Very high88.1Confident6 Ų647.7 Ų47.72%0.02324%0.235CC..Hα-helixtrans-64.7-44.4172.1-69.4175172-163.7-3111.2V135 I136 Y137 L141 R142 H143 E243 A524 L549 N550V135-R139 WeakPolarHBondContact O-CG 3.43Å; V135-R139 PolarHBondContact O-N 2.96Å; I136-R139 WeakPolarHBondContact O-CA 3.32Å; I136-R139 WeakPolarHBondContact O-CB 3.26Å; I136-R139 PolarHBondContact O-N 3Å; Y137-R139 VanDerWaalsContact C-N 3.32Å; Y137-R139 PolarHBondContact O-N 2.81Å; R139-L141 PolarHBondContact O-N 3.4Å; R139-R142 PolarHBondContact O-N 3.11Å; R139-H143 PolarHBondContact O-N 2.92Å; R139-E243 HydrophobicContact CB-CB 4.23Å; R139-E243 HydrophobicContact CG-CB 3.99Å; R139-A524 PolarHBondContact NH1-O 3.34Å; R139-L549 PolarHBondContact NH2-O 3.27Å; R139-N550 PolarHBondContact NE-OD1 3.35Å; R139-N550 PolarHBondContact NH2-OD1 2.8Å
140I92.9Very high86Confident0 Ų047.1 Ų47.10%024%0.238CC..Hα-helixtrans-61.2-45.7178.1-64.6-54.1000111.3I136 Y137 R142 H143 F146 L162 L181 L222 P240 P241I136-I140 HydrophobicContact CG2-CG1 4.41Å; I136-I140 WeakPolarHBondContact O-CG1 3.43Å; I136-I140 PolarHBondContact O-N 2.92Å; Y137-I140 PolarHBondContact O-N 2.73Å; I140-R142 PolarHBondContact O-N 2.93Å; I140-R142 VanDerWaalsContact O-N 3.11Å; I140-H143 VanDerWaalsContact O-CB 3.3Å; I140-H143 WeakPolarHBondContact O-CB 3.14Å; I140-H143 PolarHBondContact O-N 3.23Å; I140-F146 HydrophobicContact CG2-CB 4.02Å; I140-F146 HydrophobicContact CG2-CD1 4.05Å; I140-F146 HydrophobicContact CG2-CD2 3.6Å; I140-F146 HydrophobicContact CG2-CE1 4.42Å; I140-F146 HydrophobicContact CG2-CE2 4.02Å; I140-F146 HydrophobicContact CG2-CG 3.62Å; I140-F146 HydrophobicContact CG2-CZ 4.42Å; I140-F146 WeakPolarHBondContact O-CB 3.22Å; I140-L162 HydrophobicContact CG2-CD2 3.92Å; I140-L181 HydrophobicContact CG1-CD1 4.4Å; I140-L181 HydrophobicContact CG1-CD2 4.48Å; I140-L222 HydrophobicContact CD1-CD1 4.25Å; I140-P240 HydrophobicContact CD1-CB 3.61Å; I140-P240 HydrophobicContact CG1-CB 4.22Å; I140-P241 HydrophobicContact CD1-CG 3.75Å
141L91.3Very high83.8Confident63 Ų6348.7 Ų48.733%0.3325%0.251SS..Hα-helixtrans-60.2-23.7178.7-71.3-175000114.2Y137 R139Y137-L141 HydrophobicContact CD1-CD1 3.98Å; Y137-L141 HydrophobicContact CD1-CG 4.37Å; Y137-L141 HydrophobicContact CE1-CD1 3.39Å; Y137-L141 HydrophobicContact CE1-CD2 4.5Å; Y137-L141 HydrophobicContact CE1-CG 3.99Å; Y137-L141 HydrophobicContact CE2-CD2 4.44Å; Y137-L141 HydrophobicContact CE2-CG 4.48Å; Y137-L141 WeakPolarHBondContact O-CG 3.26Å; Y137-L141 PolarHBondContact O-N 2.81Å; R139-L141 PolarHBondContact O-N 3.4Å
142R90.1Very high81.8Confident76 Ų7655.2 Ų55.229%0.28729%0.285SS..Hα-helixtrans-91.6-12176.1-69.1-173.9-64.3-85.6-0.6113.3Q138 R139 I140 E243Q138-R142 PolarHBondContact O-N 3.27Å; Q138-R142 PolarHBondContact O-NH1 2.86Å; Q138-R142 PolarHBondContact O-NH2 2.87Å; R139-R142 PolarHBondContact O-N 3.11Å; I140-R142 PolarHBondContact O-N 2.93Å; I140-R142 VanDerWaalsContact O-N 3.11Å; R142-E243 IonicContact CZ-OE1 3.34Å; R142-E243 IonicContact CZ-OE2 3.52Å; R142-E243 IonicContact NE-OE1 2.74Å; R142-E243 IonicContact NE-OE2 3.71Å; R142-E243 PolarHBondContact NE-OE2 3.24Å; R142-E243 IonicContact NH2-OE1 2.58Å; R142-E243 PolarHBondContact NH2-OE1 3.31Å; R142-E243 IonicContact NH2-OE2 2.9Å; R142-E243 PolarHBondContact NH2-OE2 2.95Å
143H88.6Confident79.6Confident54 Ų5460 Ų6025%0.2531%0.313CS..SBendtrans-73.6142.1179.1-168.8-88.3000110.8R139 I140 L145 F146 S147R139-H143 PolarHBondContact O-N 2.92Å; I140-H143 VanDerWaalsContact O-CB 3.3Å; I140-H143 WeakPolarHBondContact O-CB 3.14Å; I140-H143 PolarHBondContact O-N 3.23Å; H143-L145 VanDerWaalsContact C-N 3.3Å; H143-L145 PolarHBondContact ND1-N 3.42Å; H143-L145 PolarHBondContact O-N 2.79Å; H143-F146 HydrophobicContact CB-CD2 4.32Å; H143-F146 PolarHBondContact O-N 2.88Å; H143-S147 WeakPolarHBondContact O-CB 3.49Å; H143-S147 PolarHBondContact O-N 3.07Å
144Q85.3Confident77.4Confident160 Ų16063 Ų6375%0.74835%0.347SS*.G310 helixtrans-56.5-41.8-172.7-67.4175.56.400112.8F146 S147 N159Q144-F146 PolarHBondContact O-N 3.41Å; Q144-F146 VanDerWaalsContact O-N 3.12Å; Q144-S147 PolarHBondContact O-N 2.93Å; Q144-N159 PolarHBondContact O-OD1 3.12Å
145L83.9Confident75.3Confident75 Ų7565.8 Ų65.839%0.39337%0.371SS..G310 helixtrans-63.1-15.5179.5-62.9176.1000115.5H143 Y160H143-L145 VanDerWaalsContact C-N 3.3Å; H143-L145 PolarHBondContact ND1-N 3.42Å; H143-L145 PolarHBondContact O-N 2.79Å; L145-Y160 HydrophobicContact CB-CD2 4.44Å; L145-Y160 PolarHBondContact O-N 2.73Å
146F83.7Confident73Confident24 Ų2474.4 Ų74.411%0.10541%0.41CS..G310 helixtrans-126.6-5.3-176-59.3-85.3000112.8I140 H143 Q144 Y160 L162 V179 L222I140-F146 HydrophobicContact CG2-CB 4.02Å; I140-F146 HydrophobicContact CG2-CD1 4.05Å; I140-F146 HydrophobicContact CG2-CD2 3.6Å; I140-F146 HydrophobicContact CG2-CE1 4.42Å; I140-F146 HydrophobicContact CG2-CE2 4.02Å; I140-F146 HydrophobicContact CG2-CG 3.62Å; I140-F146 HydrophobicContact CG2-CZ 4.42Å; I140-F146 WeakPolarHBondContact O-CB 3.22Å; H143-F146 HydrophobicContact CB-CD2 4.32Å; H143-F146 PolarHBondContact O-N 2.88Å; Q144-F146 PolarHBondContact O-N 3.41Å; Q144-F146 VanDerWaalsContact O-N 3.12Å; F146-Y160 VanDerWaalsContact CD1-O 3.3Å; F146-Y160 WeakPolarHBondContact CD1-O 3.48Å; F146-Y160 HydrophobicContact CE1-CG 4.49Å; F146-L162 HydrophobicContact CD1-CB 4.19Å; F146-V179 HydrophobicContact CE1-CG1 4.23Å; F146-L222 HydrophobicContact CE1-CD2 4.46Å; F146-L222 HydrophobicContact CE2-CD1 4.14Å; F146-L222 HydrophobicContact CZ-CD1 3.84Å; F146-L222 HydrophobicContact CZ-CD2 4.13Å
147S73.7Confident70.9Confident27 Ų2776.7 Ų76.719%0.18943%0.426CS..  trans-78.1122.8179.8178.50000109.5H143 Q144 T149 A150H143-S147 WeakPolarHBondContact O-CB 3.49Å; H143-S147 PolarHBondContact O-N 3.07Å; Q144-S147 PolarHBondContact O-N 2.93Å; S147-T149 PolarHBondContact O-N 2.84Å; S147-T149 PolarHBondContact OG-OG1 2.87Å; S147-T149 VanDerWaalsContact OG-OG1 3.1Å; S147-A150 WeakPolarHBondContact O-CB 3.25Å; S147-A150 PolarHBondContact O-N 2.83Å; S147-A150 VanDerWaalsContact O-N 3.07Å
148Q60.8Low69Low179 Ų17978.7 Ų78.784%0.83644%0.444SS*.G310 helixtrans-58.2-22177.7-65.4-179.223.500113A150 A151Q148-A150 PolarHBondContact O-N 3.46Å; Q148-A151 WeakPolarHBondContact O-CB 3.45Å; Q148-A151 PolarHBondContact O-N 3.18Å
149T53Low67.6Low97 Ų9780.1 Ų80.160%0.59545%0.452SS*.G310 helixtrans-63.7-30.5178.9-30.80000112.1S147 A151 L152S147-T149 PolarHBondContact O-N 2.84Å; S147-T149 PolarHBondContact OG-OG1 2.87Å; S147-T149 VanDerWaalsContact OG-OG1 3.1Å; T149-A151 PolarHBondContact O-N 3.16Å; T149-A151 VanDerWaalsContact O-N 3.16Å; T149-L152 PolarHBondContact O-N 3.36Å
150A47.8Very low67Low24 Ų2484.3 Ų84.320%0.19847%0.469CS..G310 helixtrans-67.4-12.3178.800000113.2S147 Q148 L152 S157 N159S147-A150 WeakPolarHBondContact O-CB 3.25Å; S147-A150 PolarHBondContact O-N 2.83Å; S147-A150 VanDerWaalsContact O-N 3.07Å; Q148-A150 PolarHBondContact O-N 3.46Å; A150-L152 VanDerWaalsContact C-N 3.3Å; A150-S157 PolarHBondContact O-OG 3.09Å; A150-N159 VanDerWaalsContact C-ND2 3.32Å; A150-N159 WeakPolarHBondContact CB-OD1 3.27Å
151A49.3Very low66.6Low74 Ų7492.6 Ų92.661%0.61250%0.5SS*.G310 helixtrans-76.9-14.1175.800000113.6Q148 T149 N159Q148-A151 WeakPolarHBondContact O-CB 3.45Å; Q148-A151 PolarHBondContact O-N 3.18Å; T149-A151 PolarHBondContact O-N 3.16Å; T149-A151 VanDerWaalsContact O-N 3.16Å; A151-N159 PolarHBondContact N-ND2 3.26Å
152L52Low66.6Low149 Ų14991.1 Ų91.178%0.7849%0.492SS*.THydrogen-bonded Turntrans-81.9-34179.2-70.8169.4000112.5T149 A150 G154T149-L152 PolarHBondContact O-N 3.36Å; A150-L152 VanDerWaalsContact C-N 3.3Å; L152-G154 PolarHBondContact O-N 2.7Å; L152-G154 VanDerWaalsContact O-N 3.15Å
153D49.6Very low66.8Low124 Ų12490.5 Ų90.566%0.66349%0.49SS*.SBendtrans-8097.8173.4-66.9-20.9000106.8S155D153-S155 PolarHBondContact O-N 3.33Å
154G51.1Low67.1Low76 Ų7692.9 Ų92.978%0.78450%0.501SS*.  trans-56.316.8-175.100000117.5L152L152-G154 PolarHBondContact O-N 2.7Å; L152-G154 VanDerWaalsContact O-N 3.15Å
155S50.4Low67.7Low90 Ų9085.2 Ų85.263%0.62947%0.465SS*.SBendtrans-56135.1155.5-173.90000109.2D153 S157D153-S155 PolarHBondContact O-N 3.33Å; S155-S157 PolarHBondContact O-N 3.17Å
156H48.2Very low68.3Low188 Ų18887 Ų8787%0.8747%0.472SS*.  trans-63.235.6172.2-67.1-73.8000113.4T158H156-T158 PolarHBondContact O-N 2.78Å
157S53.9Low68.8Low50 Ų5090.9 Ų90.935%0.3549%0.486SS..  trans-56.3117172.8690000108A150 S155 N159A150-S157 PolarHBondContact O-OG 3.09Å; S155-S157 PolarHBondContact O-N 3.17Å; S157-N159 PolarHBondContact O-N 3.4Å; S157-N159 PolarHBondContact OG-ND2 3.32Å
158T55.5Low69.9Low93 Ų9389.6 Ų89.657%0.57148%0.477SS*.  trans-66.879.6176.343.60000108.3H156 Y160H156-T158 PolarHBondContact O-N 2.78Å; T158-Y160 VanDerWaalsContact O-CD2 3.27Å; T158-Y160 WeakPolarHBondContact O-CD2 3.34Å; T158-Y160 PolarHBondContact O-N 3.14Å
159N64.6Low71.6Confident54 Ų5484.5 Ų84.529%0.28946%0.456SS..  trans-69.5105.3174.3-81.4-40.3000108.2Q144 A150 A151 S157 R161Q144-N159 PolarHBondContact O-OD1 3.12Å; A150-N159 VanDerWaalsContact C-ND2 3.32Å; A150-N159 WeakPolarHBondContact CB-OD1 3.27Å; A151-N159 PolarHBondContact N-ND2 3.26Å; S157-N159 PolarHBondContact O-N 3.4Å; S157-N159 PolarHBondContact OG-ND2 3.32Å; N159-R161 PolarHBondContact O-N 3.38Å
160Y80.6Confident73.5Confident94 Ų9483.9 Ų83.937%0.36946%0.46SS..  trans-70.2123.8173.5-68.6-85.9000108.2L145 F146 T158 L162 V179L145-Y160 HydrophobicContact CB-CD2 4.44Å; L145-Y160 PolarHBondContact O-N 2.73Å; F146-Y160 VanDerWaalsContact CD1-O 3.3Å; F146-Y160 WeakPolarHBondContact CD1-O 3.48Å; F146-Y160 HydrophobicContact CE1-CG 4.49Å; T158-Y160 VanDerWaalsContact O-CD2 3.27Å; T158-Y160 WeakPolarHBondContact O-CD2 3.34Å; T158-Y160 PolarHBondContact O-N 3.14Å; Y160-L162 PolarHBondContact O-N 3.26Å; Y160-V179 HydrophobicContact CD1-CG2 3.83Å
161R85.5Confident75.6Confident174 Ų17484.1 Ų84.166%0.65746%0.461SS*.  trans-87.4104.1176.4-173.4168.8178.3167.71.4109.8N159 R163N159-R161 PolarHBondContact O-N 3.38Å; R161-R163 PolarHBondContact O-N 2.86Å
162L91.7Very high77.4Confident32 Ų3285.1 Ų85.117%0.16848%0.478CS..EExtended strand (participates in β ladder)trans-64.3127.8173.9-167.466.4000110.7Y137 I140 F146 Y160 V179 L181 L222Y137-L162 HydrophobicContact CD2-CD2 3.84Å; Y137-L162 HydrophobicContact CE2-CD2 3.53Å; I140-L162 HydrophobicContact CG2-CD2 3.92Å; F146-L162 HydrophobicContact CD1-CB 4.19Å; Y160-L162 PolarHBondContact O-N 3.26Å; L162-V179 HydrophobicContact CD1-CG1 4.21Å; L162-L181 HydrophobicContact CD1-CB 3.97Å; L162-L181 HydrophobicContact CD2-CB 4.28Å; L162-L222 HydrophobicContact CD1-CD2 4.05Å
163R93.4Very high79.3Confident63 Ų6382 Ų8224%0.23847%0.469CS..EExtended strand (participates in β ladder)trans-110.5146.8177-60-64-174.9156.34.2110.5R161 Y167 T178 V179 V180R161-R163 PolarHBondContact O-N 2.86Å; R163-Y167 HydrophobicContact CB-CD1 4.25Å; R163-Y167 HydrophobicContact CG-CD1 4.15Å; R163-Y167 HydrophobicContact CG-CE1 4.43Å; R163-T178 WeakPolarHBondContact CG-OG1 3.36Å; R163-V179 PolarHBondContact N-O 3.43Å; R163-V180 HydrophobicContact CB-CG1 4.34Å
164Q95.9Very high81.5Confident103 Ų10382.2 Ų82.248%0.48146%0.46SS..  trans-76.9152.2167-71.2-178.6-45.700109.8E166 Y167Q164-E166 VanDerWaalsContact C-N 3.28Å; Q164-E166 PolarHBondContact O-N 3.04Å; Q164-Y167 WeakPolarHBondContact O-CB 3.49Å; Q164-Y167 PolarHBondContact O-N 2.99Å
165I97.3Very high83.6Confident0 Ų079.8 Ų79.80%043%0.429CS..Hα-helixtrans-63.5-36.9-179.7-66.9175.1000111.2Y167 L168 L169 A194 D196 S198 V201I165-Y167 PolarHBondContact O-N 3.43Å; I165-L168 WeakPolarHBondContact O-CB 3.46Å; I165-L168 PolarHBondContact O-N 2.87Å; I165-L169 HydrophobicContact CG2-CD1 4.03Å; I165-L169 HydrophobicContact CG2-CG 4.21Å; I165-L169 PolarHBondContact O-N 2.84Å; I165-L169 VanDerWaalsContact O-N 3.13Å; I165-A194 HydrophobicContact CD1-CB 4.16Å; I165-A194 WeakPolarHBondContact CD1-O 3.19Å; I165-D196 HydrophobicContact CD1-CB 3.8Å; I165-D196 HydrophobicContact CG1-CB 4.25Å; I165-D196 WeakPolarHBondContact CG1-OD2 3.3Å; I165-D196 PolarHBondContact N-OD2 2.97Å; I165-S198 PolarHBondContact N-OG 2.92Å; I165-V201 HydrophobicContact CD1-CG1 4.23Å; I165-V201 HydrophobicContact CG1-CG1 4.28Å; I165-V201 HydrophobicContact CG2-CB 3.81Å; I165-V201 HydrophobicContact CG2-CG1 3.89Å
166E96.5Very high85.7Confident112 Ų11281 Ų8152%0.52343%0.429SS..Hα-helixtrans-55.2-34.8175.8-179.6175-166.800112.9Q164 L168 L169 A170 S198Q164-E166 VanDerWaalsContact C-N 3.28Å; Q164-E166 PolarHBondContact O-N 3.04Å; E166-L168 VanDerWaalsContact C-N 3.31Å; E166-L168 PolarHBondContact O-N 2.81Å; E166-L169 PolarHBondContact O-N 3.49Å; E166-A170 VanDerWaalsContact O-CB 3.28Å; E166-A170 WeakPolarHBondContact O-CB 3.35Å; E166-A170 PolarHBondContact O-N 3.2Å; E166-S198 WeakPolarHBondContact CB-OG 3.33Å; E166-S198 PolarHBondContact N-OG 2.77Å
167Y95.1Very high87.9Confident105 Ų10576.2 Ų76.241%0.41242%0.416SS..Hα-helixtrans-62.7-38176.4173.3-95000112.3R163 Q164 I165 S171 I175R163-Y167 HydrophobicContact CB-CD1 4.25Å; R163-Y167 HydrophobicContact CG-CD1 4.15Å; R163-Y167 HydrophobicContact CG-CE1 4.43Å; Q164-Y167 WeakPolarHBondContact O-CB 3.49Å; Q164-Y167 PolarHBondContact O-N 2.99Å; I165-Y167 PolarHBondContact O-N 3.43Å; Y167-S171 PolarHBondContact O-N 3.23Å; Y167-I175 HydrophobicContact CD1-CD1 4.27Å; Y167-I175 HydrophobicContact CE1-CD1 3.84Å
168L96.2Very high89.8Confident0 Ų074.1 Ų74.10%040%0.401CS..Hα-helixtrans-67.4-47.4175.3-54.6-176.5000110.1I165 E166 A170 S171 I175 T178 V180 Y227 L232I165-L168 WeakPolarHBondContact O-CB 3.46Å; I165-L168 PolarHBondContact O-N 2.87Å; E166-L168 VanDerWaalsContact C-N 3.31Å; E166-L168 PolarHBondContact O-N 2.81Å; L168-A170 VanDerWaalsContact C-N 3.28Å; L168-A170 PolarHBondContact O-N 3.04Å; L168-S171 WeakPolarHBondContact O-CB 3.45Å; L168-S171 PolarHBondContact O-N 2.85Å; L168-I175 HydrophobicContact CD2-CD1 3.48Å; L168-I175 VanDerWaalsContact CD2-CD1 3.48Å; L168-T178 HydrophobicContact CD1-CG2 4.3Å; L168-T178 HydrophobicContact CD2-CG2 3.86Å; L168-V180 HydrophobicContact CD1-CG1 3.76Å; L168-V180 HydrophobicContact CG-CG1 4.41Å; L168-Y227 HydrophobicContact CB-CD1 4.16Å; L168-Y227 HydrophobicContact CB-CD2 3.83Å; L168-Y227 HydrophobicContact CB-CE1 4.22Å; L168-Y227 HydrophobicContact CB-CE2 3.87Å; L168-Y227 HydrophobicContact CB-CG 3.95Å; L168-Y227 HydrophobicContact CD1-CD2 4.16Å; L168-Y227 HydrophobicContact CD1-CG 4.42Å; L168-Y227 HydrophobicContact CD2-CG 4.36Å; L168-Y227 HydrophobicContact CG-CD2 4.5Å; L168-Y227 HydrophobicContact CG-CG 4.48Å; L168-Y227 WeakPolarHBondContact O-CE1 3.43Å; L168-Y227 PolarHBondContact O-OH 2.83Å; L168-Y227 VanDerWaalsContact O-OH 3.09Å; L168-L232 HydrophobicContact CD1-CD1 4.37Å; L168-L232 HydrophobicContact CD1-CD2 4.48Å
169L95.3Very high91.7Very high73 Ų7370.3 Ų70.338%0.38238%0.377SS..Hα-helixtrans-64.8-31.6-178-62.4178.8000113.1I165 E166 S171I165-L169 HydrophobicContact CG2-CD1 4.03Å; I165-L169 HydrophobicContact CG2-CG 4.21Å; I165-L169 PolarHBondContact O-N 2.84Å; I165-L169 VanDerWaalsContact O-N 3.13Å; E166-L169 PolarHBondContact O-N 3.49Å; L169-S171 VanDerWaalsContact C-N 3.33Å
170A94.3Very high93.3Very high84 Ų8467.7 Ų67.769%0.69436%0.364SS*.Hα-helixtrans-78.4-16.3175.300000113.3E166 L168 G172E166-A170 VanDerWaalsContact O-CB 3.28Å; E166-A170 WeakPolarHBondContact O-CB 3.35Å; E166-A170 PolarHBondContact O-N 3.2Å; L168-A170 VanDerWaalsContact C-N 3.28Å; L168-A170 PolarHBondContact O-N 3.04Å; A170-G172 PolarHBondContact O-N 3.2Å
171S91.5Very high94.1Very high29 Ų2963.2 Ų63.220%0.20335%0.346CS..  trans-74.8119.3177.4-170.40000110.8Y167 L168 L169 S173Y167-S171 PolarHBondContact O-N 3.23Å; L168-S171 WeakPolarHBondContact O-CB 3.45Å; L168-S171 PolarHBondContact O-N 2.85Å; L169-S171 VanDerWaalsContact C-N 3.33Å; S171-S173 VanDerWaalsContact C-N 3.28Å; S171-S173 PolarHBondContact OG-N 2.83Å; S171-S173 PolarHBondContact OG-O 3.15Å
172G87.2Confident94.7Very high95 Ų9555 Ų5598%0.97932%0.315SS*.SBendtrans-79.7-9.2171.800000114A170A170-G172 PolarHBondContact O-N 3.2Å
173S92.5Very high94.9Very high83 Ų8353.9 Ų53.958%0.5831%0.309SS*.SBendtrans-119159.2179.261.60000111.7S171S171-S173 VanDerWaalsContact C-N 3.28Å; S171-S173 PolarHBondContact OG-N 2.83Å; S171-S173 PolarHBondContact OG-O 3.15Å
174R94.8Very high95.1Very high129 Ų12951 Ų5149%0.48730%0.298SS..  trans-55.1141.3171176175.5163.81484.1111.6D176 Y227 D228R174-D176 IonicContact CZ-OD1 3.72Å; R174-D176 IonicContact NE-OD1 2.91Å; R174-D176 PolarHBondContact NE-OD1 3.16Å; R174-D176 IonicContact NH2-OD1 3.72Å; R174-Y227 WeakPolarHBondContact CA-O 3.27Å; R174-D228 HydrophobicContact CG-CB 4.29Å
175I95.5Very high94.9Very high24 Ų2446.2 Ų46.212%0.12328%0.277CS..EExtended strand (participates in β ladder)trans-116.5117173.2-59.6166.7000107.7Y167 L168 F226 Y227Y167-I175 HydrophobicContact CD1-CD1 4.27Å; Y167-I175 HydrophobicContact CE1-CD1 3.84Å; L168-I175 HydrophobicContact CD2-CD1 3.48Å; L168-I175 VanDerWaalsContact CD2-CD1 3.48Å; I175-F226 CarbonylContact O-C 3.55Å; I175-F226 VanDerWaalsContact O-CA 3.31Å; I175-F226 WeakPolarHBondContact O-CA 3.47Å; I175-F226 WeakPolarHBondContact O-CB 3.45Å; I175-Y227 HydrophobicContact CD1-CD1 4.09Å; I175-Y227 HydrophobicContact CG1-CD1 4.45Å; I175-Y227 PolarHBondContact N-O 3.34Å; I175-Y227 PolarHBondContact O-N 3.16Å
176D93.7Very high94.7Very high117 Ų11749.9 Ų49.963%0.62629%0.294SS*.EExtended strand (participates in β ladder)trans-76.2-24.6-170.5-65.5-44.1000115R174 F226R174-D176 IonicContact CZ-OD1 3.72Å; R174-D176 IonicContact NE-OD1 2.91Å; R174-D176 PolarHBondContact NE-OD1 3.16Å; R174-D176 IonicContact NH2-OD1 3.72Å; D176-F226 WeakPolarHBondContact O-CB 3.41Å
177S94.2Very high94.3Very high86 Ų8648.8 Ų48.860%0.60129%0.291SS*.EExtended strand (participates in β ladder)trans-152.6129.5175.41780000110.5G225S177-G225 CarbonylContact C-O 3.48Å; S177-G225 WeakPolarHBondContact CA-O 3.45Å
178T94.8Very high93.9Very high7 Ų751.7 Ų51.74%0.04330%0.301CS..EExtended strand (participates in β ladder)trans-149.4150176.3-173.40000110.8R163 L168 E224 G225 L232R163-T178 WeakPolarHBondContact CG-OG1 3.36Å; L168-T178 HydrophobicContact CD1-CG2 4.3Å; L168-T178 HydrophobicContact CD2-CG2 3.86Å; T178-E224 WeakPolarHBondContact O-CA 3.47Å; T178-G225 WeakPolarHBondContact CG2-O 3.45Å; T178-G225 PolarHBondContact N-O 3.39Å; T178-G225 PolarHBondContact O-N 3.49Å; T178-L232 HydrophobicContact CG2-CD1 3.75Å
179V96Very high93.4Very high12 Ų1260.9 Ų60.97%0.07334%0.344CS..EExtended strand (participates in β ladder)trans-118.7125.7168.1-178.40000108F146 Y160 L162 R163 L222 I223 E224F146-V179 HydrophobicContact CE1-CG1 4.23Å; Y160-V179 HydrophobicContact CD1-CG2 3.83Å; L162-V179 HydrophobicContact CD1-CG1 4.21Å; R163-V179 PolarHBondContact N-O 3.43Å; V179-L222 HydrophobicContact CG1-CD2 4.14Å; V179-I223 WeakPolarHBondContact CA-O 3.4Å; V179-E224 HydrophobicContact CG2-CB 4.31Å; V179-E224 HydrophobicContact CG2-CG 4.15Å
180V97.1Very high93Very high0 Ų060.2 Ų60.20%036%0.355CS..EExtended strand (participates in β ladder)trans-120.5148.1175.3-59.30000110.3R163 L168 I223 L232R163-V180 HydrophobicContact CB-CG1 4.34Å; L168-V180 HydrophobicContact CD1-CG1 3.76Å; L168-V180 HydrophobicContact CG-CG1 4.41Å; V180-I223 HydrophobicContact CG2-CB 3.86Å; V180-I223 HydrophobicContact CG2-CD1 4.49Å; V180-I223 HydrophobicContact CG2-CG2 4.46Å; V180-I223 PolarHBondContact N-O 2.86Å; V180-I223 PolarHBondContact O-N 2.8Å; V180-L232 HydrophobicContact CG2-CD2 3.68Å
181L97.8Very high93Very high0 Ų060.5 Ų60.50%034%0.34CS..EExtended strand (participates in β ladder)trans-101.1125.5167.1-176.176.3000106.5Y133 I136 Y137 I140 L162 I220 A221 L222 P240Y133-L181 HydrophobicContact CE1-CD2 4.48Å; Y133-L181 HydrophobicContact CE2-CB 4.28Å; Y133-L181 HydrophobicContact CE2-CD2 3.96Å; Y133-L181 HydrophobicContact CE2-CG 3.93Å; Y133-L181 VanDerWaalsContact CE2-O 3.24Å; Y133-L181 WeakPolarHBondContact CE2-O 3.34Å; Y133-L181 PolarHBondContact OH-O 2.96Å; Y133-L181 VanDerWaalsContact OH-O 3.05Å; I136-L181 HydrophobicContact CG2-CD1 4.16Å; I136-L181 HydrophobicContact CG2-CD2 4.19Å; Y137-L181 HydrophobicContact CD2-CD2 3.95Å; Y137-L181 HydrophobicContact CG-CD2 4.4Å; I140-L181 HydrophobicContact CG1-CD1 4.4Å; I140-L181 HydrophobicContact CG1-CD2 4.48Å; L162-L181 HydrophobicContact CD1-CB 3.97Å; L162-L181 HydrophobicContact CD2-CB 4.28Å; L181-I220 HydrophobicContact CD1-CG2 3.65Å; L181-I220 HydrophobicContact CD2-CG2 4.22Å; L181-I220 HydrophobicContact CG-CG2 3.78Å; L181-A221 WeakPolarHBondContact CA-O 3.44Å; L181-L222 HydrophobicContact CB-CD2 4.34Å; L181-L222 HydrophobicContact CD1-CD2 3.86Å; L181-L222 HydrophobicContact CD1-CG 4.15Å; L181-P240 HydrophobicContact CD1-CB 4.49Å
182G97.6Very high93.2Very high0 Ų061.8 Ų61.80%034%0.341CS..EExtended strand (participates in β ladder)trans-151.2148.1-17900000112.7E195 I220 A221G182-E195 CarbonylContact C-O 3.59Å; G182-E195 WeakPolarHBondContact CA-O 3.48Å; G182-I220 CarbonylContact O-C 3.45Å; G182-I220 WeakPolarHBondContact O-CA 3.31Å; G182-A221 PolarHBondContact N-O 3.5Å; G182-A221 PolarHBondContact O-N 3.05Å
183L97.2Very high93.7Very high10 Ų1058.3 Ų58.35%0.05230%0.299CS..EExtended strand (participates in β ladder)trans-73.8127165.8-179.8149.3000108.7Y129 A194 E195 S219 I220 L533Y129-L183 HydrophobicContact CD1-CD1 3.66Å; Y129-L183 HydrophobicContact CE1-CD1 4.37Å; Y129-L183 HydrophobicContact CG-CD1 4.29Å; L183-A194 CarbonylContact O-C 3.53Å; L183-A194 WeakPolarHBondContact O-CA 3.35Å; L183-E195 HydrophobicContact CB-CB 4.46Å; L183-E195 PolarHBondContact N-O 2.9Å; L183-E195 PolarHBondContact O-N 3.23Å; L183-S219 CarbonylContact C-O 3.6Å; L183-S219 WeakPolarHBondContact CA-O 3.49Å; L183-I220 HydrophobicContact CB-CG1 4.03Å; L183-I220 HydrophobicContact CD1-CG1 4.47Å; L183-L533 HydrophobicContact CD2-CD2 4.21Å
184I96Very high94Very high1 Ų154.4 Ų54.41%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-90.1126.8-179.1-47.7165.9000109.9W192 Y193 L203 G218 S219 A221 I223 I237 I451I184-W192 HydrophobicContact CG2-CE3 3.68Å; I184-W192 HydrophobicContact CG2-CZ3 4.17Å; I184-Y193 WeakPolarHBondContact CA-O 3.33Å; I184-L203 HydrophobicContact CG2-CD1 4.44Å; I184-G218 WeakPolarHBondContact O-CA 3.5Å; I184-G218 PolarHBondContact O-N 2.87Å; I184-S219 PolarHBondContact N-O 2.95Å; I184-A221 HydrophobicContact CD1-CB 3.59Å; I184-A221 HydrophobicContact CG1-CB 4.1Å; I184-I223 HydrophobicContact CG1-CD1 4.46Å; I184-I237 HydrophobicContact CD1-CD1 3.54Å; I184-I237 HydrophobicContact CD1-CG1 4.39Å; I184-I237 HydrophobicContact CG1-CD1 4.48Å; I184-I451 HydrophobicContact CB-CD1 3.67Å; I184-I451 HydrophobicContact CD1-CD1 3.41Å; I184-I451 VanDerWaalsContact CD1-CD1 3.41Å; I184-I451 HydrophobicContact CG1-CD1 4.17Å; I184-I451 HydrophobicContact CG2-CD1 3.34Å; I184-I451 HydrophobicContact CG2-CG1 4.26Å
185S93.4Very high94Very high4 Ų450.8 Ų50.83%0.02826%0.26CS..EExtended strand (participates in β ladder)trans-143.3160-17969.30000111.9Y193 E195S185-Y193 PolarHBondContact N-O 3.35Å; S185-Y193 PolarHBondContact O-N 3.3Å; S185-E195 WeakPolarHBondContact CB-OE1 3.48Å; S185-E195 PolarHBondContact OG-OE1 3.16Å
186Q91.9Very high94.1Very high76 Ų7650.5 Ų50.536%0.35526%0.258SS..EExtended strand (participates in β ladder)trans-106.985.8171.6-171.6172.545.800110.6R188 G190 W192 E217Q186-R188 VanDerWaalsContact C-N 3.34Å; Q186-R188 WeakPolarHBondContact CG-O 3.43Å; Q186-G190 VanDerWaalsContact NE2-CA 3.33Å; Q186-W192 HydrophobicContact CB-CE3 4.21Å; Q186-W192 HydrophobicContact CB-CH2 4.42Å; Q186-W192 HydrophobicContact CB-CZ3 4.03Å; Q186-E217 PolarHBondContact N-OE1 3.48Å
187L87.6Confident94.1Very high89 Ų8949 Ų4947%0.46626%0.255SS..EExtended strand (participates in β ladder)trans-71.4-27.6179.5-63.1179.3000113.8Y193 E195 I200L187-Y193 HydrophobicContact CB-CD2 3.74Å; L187-Y193 HydrophobicContact CB-CE2 3.94Å; L187-Y193 HydrophobicContact CB-CG 4.38Å; L187-Y193 HydrophobicContact CD1-CD1 4.35Å; L187-Y193 HydrophobicContact CD1-CD2 4.16Å; L187-Y193 HydrophobicContact CD1-CG 3.95Å; L187-Y193 HydrophobicContact CG-CD2 4.02Å; L187-Y193 HydrophobicContact CG-CG 4.23Å; L187-E195 WeakPolarHBondContact CD2-OE1 3.25Å; L187-I200 HydrophobicContact CD1-CD1 4Å; L187-I200 HydrophobicContact CD1-CG2 3.64Å
188R88.2Confident94.2Very high166 Ų16646.4 Ų46.463%0.62624%0.237SC*.EExtended strand (participates in β ladder)trans-130.6145174.9-61.5-174.7-176.3-170.44108.4Q186 G190 K191 Y193Q186-R188 VanDerWaalsContact C-N 3.34Å; Q186-R188 WeakPolarHBondContact CG-O 3.43Å; R188-G190 PolarHBondContact O-N 3.28Å; R188-K191 HydrophobicContact CB-CB 4.31Å; R188-K191 PolarHBondContact O-N 3.12Å; R188-Y193 HydrophobicContact CB-CE2 4.44Å
189E85.8Confident94.2Very high194 Ų19446.8 Ų46.891%0.90724%0.243SC*.THydrogen-bonded Turntrans-53.1128.1179.4-168.9175.1-172.900111.1K191E189-K191 VanDerWaalsContact C-N 3.25Å; E189-K191 PolarHBondContact O-N 2.73Å
190G86.1Confident94.3Very high59 Ų5950 Ų5061%0.60826%0.259SS*.THydrogen-bonded Turntrans75.1-2.9-178.600000116.2Q186 R188Q186-G190 VanDerWaalsContact NE2-CA 3.33Å; R188-G190 PolarHBondContact O-N 3.28Å
191K94.1Very high94.3Very high89 Ų8950.1 Ų50.139%0.38726%0.259SS..EExtended strand (participates in β ladder)trans-117.7123.6-177-64.6-172.6176.4-168.40112.5R188 E189 Y193R188-K191 HydrophobicContact CB-CB 4.31Å; R188-K191 PolarHBondContact O-N 3.12Å; E189-K191 VanDerWaalsContact C-N 3.25Å; E189-K191 PolarHBondContact O-N 2.73Å; K191-Y193 HydrophobicContact CB-CE2 3.67Å; K191-Y193 WeakPolarHBondContact O-CD2 3.48Å; K191-Y193 WeakPolarHBondContact O-CE2 3.25Å
192W96Very high94.3Very high56 Ų5652.5 Ų52.521%0.21227%0.27CS..EExtended strand (participates in β ladder)trans-89.1142.6177.2-68.3104.8000111.5I184 Q186 L203 L205 E217 I451I184-W192 HydrophobicContact CG2-CE3 3.68Å; I184-W192 HydrophobicContact CG2-CZ3 4.17Å; Q186-W192 HydrophobicContact CB-CE3 4.21Å; Q186-W192 HydrophobicContact CB-CH2 4.42Å; Q186-W192 HydrophobicContact CB-CZ3 4.03Å; W192-L203 HydrophobicContact CB-CB 4.22Å; W192-L203 HydrophobicContact CB-CD1 4.5Å; W192-L203 PolarHBondContact O-N 2.89Å; W192-L205 HydrophobicContact CB-CD1 3.98Å; W192-L205 HydrophobicContact CG-CD1 3.74Å; W192-E217 HydrophobicContact CH2-CB 4.41Å; W192-E217 HydrophobicContact CZ3-CB 4.31Å; W192-E217 HydrophobicContact CZ3-CG 4.08Å; W192-I451 HydrophobicContact CD2-CG1 4.47Å; W192-I451 HydrophobicContact CD2-CG2 4.4Å; W192-I451 HydrophobicContact CE3-CG1 4.12Å; W192-I451 HydrophobicContact CH2-CB 4.42Å; W192-I451 HydrophobicContact CH2-CG1 3.52Å; W192-I451 HydrophobicContact CZ2-CB 4.34Å; W192-I451 HydrophobicContact CZ2-CG1 3.89Å; W192-I451 HydrophobicContact CZ2-CG2 4.2Å; W192-I451 HydrophobicContact CZ3-CD1 4.25Å; W192-I451 HydrophobicContact CZ3-CG1 3.64Å
193Y97.6Very high94.3Very high23 Ų2353 Ų539%0.0927%0.273CS..EExtended strand (participates in β ladder)trans-131150.2177.8-66.1-93.5000110I184 S185 L187 R188 K191 I200 V201 Q202I184-Y193 WeakPolarHBondContact CA-O 3.33Å; S185-Y193 PolarHBondContact N-O 3.35Å; S185-Y193 PolarHBondContact O-N 3.3Å; L187-Y193 HydrophobicContact CB-CD2 3.74Å; L187-Y193 HydrophobicContact CB-CE2 3.94Å; L187-Y193 HydrophobicContact CB-CG 4.38Å; L187-Y193 HydrophobicContact CD1-CD1 4.35Å; L187-Y193 HydrophobicContact CD1-CD2 4.16Å; L187-Y193 HydrophobicContact CD1-CG 3.95Å; L187-Y193 HydrophobicContact CG-CD2 4.02Å; L187-Y193 HydrophobicContact CG-CG 4.23Å; R188-Y193 HydrophobicContact CB-CE2 4.44Å; K191-Y193 HydrophobicContact CB-CE2 3.67Å; K191-Y193 WeakPolarHBondContact O-CD2 3.48Å; K191-Y193 WeakPolarHBondContact O-CE2 3.25Å; Y193-I200 HydrophobicContact CD1-CG2 3.75Å; Y193-I200 HydrophobicContact CG-CG2 4.16Å; Y193-V201 CarbonylContact C-O 3.6Å; Y193-V201 VanDerWaalsContact CA-O 3.27Å; Y193-V201 WeakPolarHBondContact CA-O 3.35Å; Y193-Q202 HydrophobicContact CD1-CB 3.96Å; Y193-Q202 HydrophobicContact CD1-CG 4.35Å; Y193-Q202 HydrophobicContact CE1-CB 3.6Å; Y193-Q202 HydrophobicContact CE1-CG 3.84Å; Y193-Q202 PolarHBondContact OH-OE1 3.04Å
194A97.8Very high94.3Very high0 Ų054.1 Ų54.10%028%0.279CS..EExtended strand (participates in β ladder)trans-103.6134.3162.300000108.7I165 L183 I200 V201 L203 I223I165-A194 HydrophobicContact CD1-CB 4.16Å; I165-A194 WeakPolarHBondContact CD1-O 3.19Å; L183-A194 CarbonylContact O-C 3.53Å; L183-A194 WeakPolarHBondContact O-CA 3.35Å; A194-I200 WeakPolarHBondContact O-CA 3.31Å; A194-V201 HydrophobicContact CB-CG1 4.03Å; A194-V201 PolarHBondContact N-O 2.85Å; A194-V201 PolarHBondContact O-N 2.84Å; A194-L203 HydrophobicContact CB-CD1 4.16Å; A194-L203 HydrophobicContact CB-CD2 3.89Å; A194-L203 HydrophobicContact CB-CG 4.26Å; A194-I223 HydrophobicContact CB-CD1 3.56Å
195E96.3Very high94.3Very high53 Ų5355.7 Ų55.725%0.24829%0.287CS..EExtended strand (participates in β ladder)trans-120.5134.5179.2-59.7-174.9-138.300110.6G182 L183 S185 L187 I200G182-E195 CarbonylContact C-O 3.59Å; G182-E195 WeakPolarHBondContact CA-O 3.48Å; L183-E195 HydrophobicContact CB-CB 4.46Å; L183-E195 PolarHBondContact N-O 2.9Å; L183-E195 PolarHBondContact O-N 3.23Å; S185-E195 WeakPolarHBondContact CB-OE1 3.48Å; S185-E195 PolarHBondContact OG-OE1 3.16Å; L187-E195 WeakPolarHBondContact CD2-OE1 3.25Å; E195-I200 HydrophobicContact CG-CD1 4.33Å; E195-I200 HydrophobicContact CG-CG1 4.01Å; E195-I200 HydrophobicContact CG-CG2 4.07Å
196D96.3Very high94.3Very high18 Ų1863.7 Ų63.710%0.09632%0.324CS..EExtended strand (participates in β ladder)trans-133.5174.4166.379.22.7000108.8Y133 I165 S198 G199Y133-D196 HydrophobicContact CD2-CB 4.32Å; Y133-D196 HydrophobicContact CE1-CB 4.44Å; Y133-D196 HydrophobicContact CE2-CB 3.56Å; I165-D196 HydrophobicContact CD1-CB 3.8Å; I165-D196 HydrophobicContact CG1-CB 4.25Å; I165-D196 WeakPolarHBondContact CG1-OD2 3.3Å; I165-D196 PolarHBondContact N-OD2 2.97Å; D196-S198 PolarHBondContact O-N 2.86Å; D196-S198 VanDerWaalsContact OD1-CA 3.26Å; D196-S198 WeakPolarHBondContact OD1-CA 3.42Å; D196-S198 VanDerWaalsContact OD1-CB 3.27Å; D196-S198 WeakPolarHBondContact OD1-CB 3.08Å; D196-S198 PolarHBondContact OD1-N 2.82Å; D196-S198 PolarHBondContact OD1-OG 2.89Å; D196-S198 PolarHBondContact OD2-OG 3.4Å; D196-S198 VanDerWaalsContact OD2-OG 3.07Å; D196-G199 PolarHBondContact N-O 2.81Å; D196-G199 PolarHBondContact O-N 3.25Å; D196-G199 PolarHBondContact OD1-N 3.33Å
197P94.8Very high94.4Very high86 Ų8667.1 Ų67.156%0.55834%0.34SS*.THydrogen-bonded Turntrans-62.2-11.8178.2-25.936.2000115.4Y133Y133-P197 HydrophobicContact CD1-CG 3.8Å; Y133-P197 HydrophobicContact CE1-CG 4.18Å; Y133-P197 HydrophobicContact CG-CG 4.31Å
198S95.4Very high94.7Very high31 Ų3163.7 Ų63.722%0.21733%0.325CS..THydrogen-bonded Turntrans-96-28.5-17979.10000112.9I165 E166 D196I165-S198 PolarHBondContact N-OG 2.92Å; E166-S198 WeakPolarHBondContact CB-OG 3.33Å; E166-S198 PolarHBondContact N-OG 2.77Å; D196-S198 PolarHBondContact O-N 2.86Å; D196-S198 VanDerWaalsContact OD1-CA 3.26Å; D196-S198 WeakPolarHBondContact OD1-CA 3.42Å; D196-S198 VanDerWaalsContact OD1-CB 3.27Å; D196-S198 WeakPolarHBondContact OD1-CB 3.08Å; D196-S198 PolarHBondContact OD1-N 2.82Å; D196-S198 PolarHBondContact OD1-OG 2.89Å; D196-S198 PolarHBondContact OD2-OG 3.4Å; D196-S198 VanDerWaalsContact OD2-OG 3.07Å
199G95.5Very high95Very high16 Ų1659.5 Ų59.517%0.16532%0.317CS..EExtended strand (participates in β ladder)trans175.6-171-178.900000115.3D196D196-G199 PolarHBondContact N-O 2.81Å; D196-G199 PolarHBondContact O-N 3.25Å; D196-G199 PolarHBondContact OD1-N 3.33Å
200I97.2Very high95.4Very high80 Ų8051.6 Ų51.641%0.4128%0.28SS..EExtended strand (participates in β ladder)trans-133.3129-175.1-52.7-179.6000108.5L187 Y193 A194 E195L187-I200 HydrophobicContact CD1-CD1 4Å; L187-I200 HydrophobicContact CD1-CG2 3.64Å; Y193-I200 HydrophobicContact CD1-CG2 3.75Å; Y193-I200 HydrophobicContact CG-CG2 4.16Å; A194-I200 WeakPolarHBondContact O-CA 3.31Å; E195-I200 HydrophobicContact CG-CD1 4.33Å; E195-I200 HydrophobicContact CG-CG1 4.01Å; E195-I200 HydrophobicContact CG-CG2 4.07Å
201V97.5Very high95.6Very high2 Ų252.6 Ų52.61%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-126.7138.7177.764.60000111.1I165 Y193 A194 L203 Y227 L232I165-V201 HydrophobicContact CD1-CG1 4.23Å; I165-V201 HydrophobicContact CG1-CG1 4.28Å; I165-V201 HydrophobicContact CG2-CB 3.81Å; I165-V201 HydrophobicContact CG2-CG1 3.89Å; Y193-V201 CarbonylContact C-O 3.6Å; Y193-V201 VanDerWaalsContact CA-O 3.27Å; Y193-V201 WeakPolarHBondContact CA-O 3.35Å; A194-V201 HydrophobicContact CB-CG1 4.03Å; A194-V201 PolarHBondContact N-O 2.85Å; A194-V201 PolarHBondContact O-N 2.84Å; V201-L203 HydrophobicContact CG1-CD2 4.43Å; V201-Y227 HydrophobicContact CG2-CD2 4.14Å; V201-Y227 HydrophobicContact CG2-CE2 3.89Å; V201-L232 HydrophobicContact CG1-CB 4.45Å; V201-L232 HydrophobicContact CG1-CD2 4.44Å; V201-L232 HydrophobicContact CG2-CB 3.99Å
202Q97.8Very high95.3Very high50 Ų5050.2 Ų50.223%0.23426%0.259CS..EExtended strand (participates in β ladder)trans-74.5137.1176.6-167.5-176.3-60.300110Y193 L232Y193-Q202 HydrophobicContact CD1-CB 3.96Å; Y193-Q202 HydrophobicContact CD1-CG 4.35Å; Y193-Q202 HydrophobicContact CE1-CB 3.6Å; Y193-Q202 HydrophobicContact CE1-CG 3.84Å; Y193-Q202 PolarHBondContact OH-OE1 3.04Å; Q202-L232 PolarHBondContact O-N 3.01Å
203L97.9Very high95Very high9 Ų947.8 Ų47.85%0.04725%0.251CS..EExtended strand (participates in β ladder)trans-100.3135.8177.9-54.9-178.6000110.8I184 W192 A194 V201 L205 I223 L232 V234I184-L203 HydrophobicContact CG2-CD1 4.44Å; W192-L203 HydrophobicContact CB-CB 4.22Å; W192-L203 HydrophobicContact CB-CD1 4.5Å; W192-L203 PolarHBondContact O-N 2.89Å; A194-L203 HydrophobicContact CB-CD1 4.16Å; A194-L203 HydrophobicContact CB-CD2 3.89Å; A194-L203 HydrophobicContact CB-CG 4.26Å; V201-L203 HydrophobicContact CG1-CD2 4.43Å; L203-L205 HydrophobicContact CB-CD2 4.05Å; L203-L205 HydrophobicContact CB-CG 4.29Å; L203-L205 HydrophobicContact CD1-CD2 4.32Å; L203-I223 HydrophobicContact CD1-CD1 3.93Å; L203-I223 HydrophobicContact CD2-CD1 4.28Å; L203-I223 HydrophobicContact CD2-CG2 4.35Å; L203-L232 WeakPolarHBondContact CA-O 3.38Å; L203-L232 HydrophobicContact CD2-CB 4Å; L203-L232 HydrophobicContact CD2-CD2 3.82Å; L203-L232 HydrophobicContact CD2-CG 4.23Å; L203-V234 HydrophobicContact CB-CG2 4.17Å; L203-V234 HydrophobicContact CD2-CG2 4.03Å
204N97Very high94.7Very high34 Ų3446.9 Ų46.918%0.18225%0.248CC..EExtended strand (participates in β ladder)trans-102.9112.3160.4-177.2-13.1000108.7Q206 I231 L232 Y233 V234N204-Q206 VanDerWaalsContact OD1-CB 3.3Å; N204-Q206 WeakPolarHBondContact OD1-CB 3.18Å; N204-Q206 WeakPolarHBondContact OD1-CG 3.42Å; N204-Q206 PolarHBondContact OD1-N 2.89Å; N204-I231 HydrophobicContact CB-CG2 3.84Å; N204-L232 PolarHBondContact N-O 2.86Å; N204-Y233 HydrophobicContact CB-CD1 3.89Å; N204-Y233 HydrophobicContact CB-CE1 4.29Å; N204-Y233 HydrophobicContact CB-CG 4.36Å; N204-Y233 WeakPolarHBondContact ND2-CD1 3.42Å; N204-Y233 VanDerWaalsContact ND2-CE1 3.33Å; N204-Y233 WeakPolarHBondContact ND2-CE1 3.49Å; N204-V234 WeakPolarHBondContact O-CB 3.38Å; N204-V234 PolarHBondContact O-N 2.91Å
205L95.7Very high94.6Very high34 Ų3447 Ų4718%0.17825%0.249CC..  trans-98.96.6-176.1-57.5178.8000113.6W192 L203 Q207 A208 F210 V234 I451W192-L205 HydrophobicContact CB-CD1 3.98Å; W192-L205 HydrophobicContact CG-CD1 3.74Å; L203-L205 HydrophobicContact CB-CD2 4.05Å; L203-L205 HydrophobicContact CB-CG 4.29Å; L203-L205 HydrophobicContact CD1-CD2 4.32Å; L205-Q207 PolarHBondContact O-N 2.95Å; L205-A208 HydrophobicContact CB-CB 4.21Å; L205-A208 HydrophobicContact CD2-CB 4.17Å; L205-A208 WeakPolarHBondContact O-CB 3.31Å; L205-A208 PolarHBondContact O-N 2.81Å; L205-A208 VanDerWaalsContact O-N 3.16Å; L205-F210 HydrophobicContact CD1-CZ 4.39Å; L205-V234 HydrophobicContact CD2-CB 3.9Å; L205-V234 HydrophobicContact CD2-CG1 4.17Å; L205-V234 HydrophobicContact CD2-CG2 3.71Å; L205-I451 HydrophobicContact CD1-CG2 3.82Å
206Q93.3Very high94.5Very high172 Ų17244.5 Ų44.580%0.80424%0.237SC*.THydrogen-bonded Turntrans-59.9-33.2-173.5-71.6171.8900113.4N204N204-Q206 VanDerWaalsContact OD1-CB 3.3Å; N204-Q206 WeakPolarHBondContact OD1-CB 3.18Å; N204-Q206 WeakPolarHBondContact OD1-CG 3.42Å; N204-Q206 PolarHBondContact OD1-N 2.89Å
207Q93.8Very high94.4Very high149 Ų14944.5 Ų44.570%0.69624%0.236SC*.THydrogen-bonded Turntrans-111.412.6-180-64.6-179-17.900112.5L205 V209 V234L205-Q207 PolarHBondContact O-N 2.95Å; Q207-V209 PolarHBondContact O-N 3.01Å; Q207-V234 CarbonylContact C-O 3.56Å
208A95.3Very high94.3Very high17 Ų1740.5 Ų40.514%0.1421%0.211CC..PPolyproline II helixtrans-73.8127.6-174.200000111.5L205 F210 V234 I237L205-A208 HydrophobicContact CB-CB 4.21Å; L205-A208 HydrophobicContact CD2-CB 4.17Å; L205-A208 WeakPolarHBondContact O-CB 3.31Å; L205-A208 PolarHBondContact O-N 2.81Å; L205-A208 VanDerWaalsContact O-N 3.16Å; A208-F210 HydrophobicContact CB-CE2 3.98Å; A208-F210 HydrophobicContact CB-CZ 4.46Å; A208-V234 VanDerWaalsContact CA-O 3.3Å; A208-V234 WeakPolarHBondContact CA-O 3.3Å; A208-V234 HydrophobicContact CB-CB 3.96Å; A208-V234 HydrophobicContact CB-CG1 3.66Å; A208-V234 PolarHBondContact N-O 2.91Å; A208-I237 HydrophobicContact CB-CG2 4.49Å
209V94.6Very high94.3Very high77 Ų7739 Ų3947%0.46720%0.201SC..EExtended strand (participates in β ladder)trans-87.8120.3167.7-1800000109Q207 T235 G236 I237 Y462Q207-V209 PolarHBondContact O-N 3.01Å; V209-T235 PolarHBondContact N-O 3.29Å; V209-G236 WeakPolarHBondContact O-CA 3.31Å; V209-I237 PolarHBondContact O-N 2.89Å; V209-Y462 WeakPolarHBondContact CG1-OH 3.44Å
210F93.2Very high94.4Very high28 Ų2838.4 Ų38.412%0.12319%0.194CC..EExtended strand (participates in β ladder)trans-89.9119.5176.7-69.9-98.7000110.3L205 A208 L215 I237 I451 H452 Y462L205-F210 HydrophobicContact CD1-CZ 4.39Å; A208-F210 HydrophobicContact CB-CE2 3.98Å; A208-F210 HydrophobicContact CB-CZ 4.46Å; F210-L215 HydrophobicContact CD1-CD1 4.16Å; F210-I237 HydrophobicContact CB-CG2 4.29Å; F210-I237 HydrophobicContact CD1-CG2 3.22Å; F210-I237 HydrophobicContact CD2-CG2 4.13Å; F210-I237 HydrophobicContact CE1-CD1 4.43Å; F210-I237 HydrophobicContact CE1-CG2 3.38Å; F210-I237 HydrophobicContact CE2-CG2 4.25Å; F210-I237 HydrophobicContact CG-CG2 3.63Å; F210-I237 HydrophobicContact CZ-CG2 3.91Å; F210-I451 HydrophobicContact CE1-CB 4.49Å; F210-I451 HydrophobicContact CE1-CG2 3.93Å; F210-I451 HydrophobicContact CZ-CG2 4.06Å; F210-H452 HydrophobicContact CB-CB 4.37Å; F210-H452 HydrophobicContact CD1-CB 3.36Å; F210-H452 AromaticContact CD1-CG 3.86Å; F210-H452 HydrophobicContact CD2-CB 3.84Å; F210-H452 AromaticContact CD2-CD2 3.54Å; F210-H452 AromaticContact CD2-CG 3.62Å; F210-H452 HydrophobicContact CE1-CB 3.43Å; F210-H452 VanDerWaalsContact CE1-CB 3.43Å; F210-H452 HydrophobicContact CE2-CB 3.9Å; F210-H452 AromaticContact CE2-CD2 3.92Å; F210-H452 HydrophobicContact CG-CB 3.58Å; F210-H452 AromaticContact CG-CD2 3.92Å; F210-H452 AromaticContact CG-CG 3.51Å; F210-H452 AromaticContact CG-ND1 3.91Å; F210-H452 HydrophobicContact CZ-CB 3.71Å; F210-Y462 PolarHBondContact O-OH 3.08Å
211H90.8Very high94.4Very high80 Ų8034.6 Ų34.637%0.3717%0.174SC..PPolyproline II helixtrans-75.2161.2172.4-63.9-68.6000111.6G213 I237H211-G213 PolarHBondContact O-N 3.5Å; H211-I237 PolarHBondContact CD2-O 3.43Å; H211-I237 PolarHBondContact N-O 3.44Å
212E86.8Confident94.4Very high40 Ų4035.7 Ų35.719%0.18718%0.18CC..SBendtrans-53.8133-178.4-178.2-159.1-167.900112.3Y514 Q517 R521E212-Y514 HydrophobicContact CG-CE2 4.27Å; E212-Q517 WeakPolarHBondContact OE1-CG 3.18Å; E212-R521 WeakPolarHBondContact O-CD 3.18Å; E212-R521 PolarHBondContact O-NE 2.95Å; E212-R521 VanDerWaalsContact O-NE 3.12Å; E212-R521 IonicContact OE2-CZ 2.63Å; E212-R521 IonicContact OE2-NH1 3.39Å; E212-R521 PolarHBondContact OE2-NH1 3.46Å
213G89.6Confident94.4Very high5 Ų533.3 Ų33.35%0.05217%0.169CC..SBendtrans138.2158.5178.800000112.7H211 P454H211-G213 PolarHBondContact O-N 3.5Å; G213-P454 VanDerWaalsContact O-CG 3.3Å; G213-P454 WeakPolarHBondContact O-CG 3.49Å
214L93Very high94.3Very high4 Ų436.1 Ų36.12%0.02118%0.181CC..  trans-86.2127.6169.9-161.672.7000109.5P216 L446 V447 C450 P454 C518 L519 C522L214-P216 VanDerWaalsContact C-CD 3.41Å; L214-P216 VanDerWaalsContact O-CD 3.31Å; L214-P216 WeakPolarHBondContact O-CD 3.32Å; L214-L446 HydrophobicContact CD2-CB 3.59Å; L214-V447 HydrophobicContact CD1-CG2 4.06Å; L214-V447 HydrophobicContact CD2-CG2 4.25Å; L214-C450 HydrophobicContact CD1-CB 4.02Å; L214-C450 WeakPolarHBondContact CD1-SG 3.4Å; L214-P454 HydrophobicContact CD1-CG 4.3Å; L214-C518 HydrophobicContact CB-CB 4.41Å; L214-C518 PolarHBondContact N-O 3.33Å; L214-L519 HydrophobicContact CD2-CD1 4.38Å; L214-C522 HydrophobicContact CB-CB 3.93Å; L214-C522 WeakPolarHBondContact O-CB 3.46Å; L214-C522 PolarHBondContact O-SG 3.37Å
215L94.2Very high94.3Very high3 Ų334.7 Ų34.72%0.01617%0.174CC..  trans-119.875179.3-75.2167.7000110.2F210 A221 I237 L239 C450 I451F210-L215 HydrophobicContact CD1-CD1 4.16Å; L215-A221 HydrophobicContact CD2-CB 4.04Å; L215-I237 HydrophobicContact CD1-CG1 4.3Å; L215-L239 HydrophobicContact CD2-CD2 3.45Å; L215-L239 VanDerWaalsContact CD2-CD2 3.45Å; L215-L239 HydrophobicContact CD2-CG 3.79Å; L215-L239 HydrophobicContact CG-CD2 4.3Å; L215-L239 HydrophobicContact CG-CG 4.26Å; L215-C450 VanDerWaalsContact C-SG 3.56Å; L215-C450 PolarHBondContact N-SG 3.33Å; L215-C450 WeakPolarHBondContact O-CA 3.37Å; L215-C450 PolarHBondContact O-SG 3.22Å; L215-I451 HydrophobicContact CB-CD1 4.45Å; L215-I451 WeakPolarHBondContact O-CD1 3.32Å; L215-I451 PolarHBondContact O-N 3.14Å
216P94.5Very high94.4Very high0 Ų035.1 Ų35.10%018%0.175CC..BIsolated β-bridgetrans-66.2153.7171.327.1-32.6000112.6L214 G218 S219 L446 H449 P531 L532L214-P216 VanDerWaalsContact C-CD 3.41Å; L214-P216 VanDerWaalsContact O-CD 3.31Å; L214-P216 WeakPolarHBondContact O-CD 3.32Å; P216-G218 PolarHBondContact O-N 3.24Å; P216-S219 WeakPolarHBondContact CD-OG 3.5Å; P216-S219 VanDerWaalsContact CG-OG 3.24Å; P216-S219 WeakPolarHBondContact CG-OG 3.26Å; P216-S219 WeakPolarHBondContact O-CB 3.34Å; P216-S219 PolarHBondContact O-N 2.85Å; P216-S219 PolarHBondContact O-OG 2.83Å; P216-L446 HydrophobicContact CB-CD2 4.17Å; P216-L446 HydrophobicContact CG-CD2 3.8Å; P216-H449 CarbonylContact C-O 3.59Å; P216-H449 WeakPolarHBondContact CA-O 3.39Å; P216-P531 HydrophobicContact CG-CG 4.35Å; P216-P531 WeakPolarHBondContact CG-O 3.3Å; P216-L532 HydrophobicContact CB-CD2 3.76Å
217E93.7Very high94.6Very high17 Ų1727.2 Ų27.28%0.07914%0.138CC..THydrogen-bonded Turntrans-53.8128.3169.5-173.8-176.5-173.400110.9Q186 W192 H449 L533 I536Q186-E217 PolarHBondContact N-OE1 3.48Å; W192-E217 HydrophobicContact CH2-CB 4.41Å; W192-E217 HydrophobicContact CZ3-CB 4.31Å; W192-E217 HydrophobicContact CZ3-CG 4.08Å; E217-H449 HydrophobicContact CB-CB 4.39Å; E217-H449 PolarHBondContact N-O 2.95Å; E217-H449 IonicContact OE2-ND1 3.95Å; E217-L533 HydrophobicContact CG-CD1 3.7Å; E217-L533 HydrophobicContact CG-CG 4.33Å; E217-L533 WeakPolarHBondContact OE1-CD1 3.16Å; E217-I536 HydrophobicContact CB-CD1 4.34Å
218G93.3Very high94.7Very high3 Ų322.3 Ų22.33%0.03112%0.116CC..THydrogen-bonded Turntrans95.4-2.4-171.300000114.4I184 P216I184-G218 WeakPolarHBondContact O-CA 3.5Å; I184-G218 PolarHBondContact O-N 2.87Å; P216-G218 PolarHBondContact O-N 3.24Å
219S95.8Very high94.6Very high0 Ų029.1 Ų29.10%015%0.145CC..  trans-73.7145.3171.9-61.10000111.7L183 I184 P216L183-S219 CarbonylContact C-O 3.6Å; L183-S219 WeakPolarHBondContact CA-O 3.49Å; I184-S219 PolarHBondContact N-O 2.95Å; P216-S219 WeakPolarHBondContact CD-OG 3.5Å; P216-S219 VanDerWaalsContact CG-OG 3.24Å; P216-S219 WeakPolarHBondContact CG-OG 3.26Å; P216-S219 WeakPolarHBondContact O-CB 3.34Å; P216-S219 PolarHBondContact O-N 2.85Å; P216-S219 PolarHBondContact O-OG 2.83Å
220I97.8Very high94.5Very high3 Ų332.8 Ų32.82%0.01516%0.155CC..EExtended strand (participates in β ladder)trans-91.2123.8171.3-65.3151.8000108.4R132 Y133 I136 L181 G182 L183 P240 Q526R132-I220 HydrophobicContact CB-CD1 4.04Å; Y133-I220 HydrophobicContact CD2-CG2 4.46Å; I136-I220 HydrophobicContact CB-CG2 4.3Å; I136-I220 HydrophobicContact CD1-CB 3.78Å; I136-I220 HydrophobicContact CD1-CD1 3.64Å; I136-I220 HydrophobicContact CD1-CG1 4.32Å; I136-I220 HydrophobicContact CD1-CG2 4.06Å; I136-I220 HydrophobicContact CG1-CD1 4.45Å; I136-I220 HydrophobicContact CG2-CG2 3.94Å; L181-I220 HydrophobicContact CD1-CG2 3.65Å; L181-I220 HydrophobicContact CD2-CG2 4.22Å; L181-I220 HydrophobicContact CG-CG2 3.78Å; G182-I220 CarbonylContact O-C 3.45Å; G182-I220 WeakPolarHBondContact O-CA 3.31Å; L183-I220 HydrophobicContact CB-CG1 4.03Å; L183-I220 HydrophobicContact CD1-CG1 4.47Å; I220-P240 WeakPolarHBondContact O-CD 3.41Å; I220-Q526 PolarHBondContact O-NE2 2.8Å
221A97.2Very high94.7Very high0 Ų033.4 Ų33.40%016%0.159CC..EExtended strand (participates in β ladder)trans-128.3154-175.500000111.9L181 G182 I184 L215 I223 I237 G238L181-A221 WeakPolarHBondContact CA-O 3.44Å; G182-A221 PolarHBondContact N-O 3.5Å; G182-A221 PolarHBondContact O-N 3.05Å; I184-A221 HydrophobicContact CD1-CB 3.59Å; I184-A221 HydrophobicContact CG1-CB 4.1Å; L215-A221 HydrophobicContact CD2-CB 4.04Å; A221-I223 HydrophobicContact CB-CG1 4.37Å; A221-I237 HydrophobicContact CB-CG1 4.12Å; A221-G238 WeakPolarHBondContact CA-O 3.4Å
222L97.1Very high95.1Very high25 Ų2529.6 Ų29.613%0.13114%0.141CC..EExtended strand (participates in β ladder)trans-82.3127.9161.8-72170.1000108.1I140 F146 L162 V179 L181 I237 G238 P240I140-L222 HydrophobicContact CD1-CD1 4.25Å; F146-L222 HydrophobicContact CE1-CD2 4.46Å; F146-L222 HydrophobicContact CE2-CD1 4.14Å; F146-L222 HydrophobicContact CZ-CD1 3.84Å; F146-L222 HydrophobicContact CZ-CD2 4.13Å; L162-L222 HydrophobicContact CD1-CD2 4.05Å; V179-L222 HydrophobicContact CG1-CD2 4.14Å; L181-L222 HydrophobicContact CB-CD2 4.34Å; L181-L222 HydrophobicContact CD1-CD2 3.86Å; L181-L222 HydrophobicContact CD1-CG 4.15Å; L222-I237 WeakPolarHBondContact O-CA 3.47Å; L222-G238 PolarHBondContact N-O 3.4Å; L222-G238 PolarHBondContact O-N 2.71Å; L222-P240 HydrophobicContact CG-CB 4.48Å
223I97.8Very high95.6Very high0 Ų030.7 Ų30.70%014%0.144CC..EExtended strand (participates in β ladder)trans-124.6115.4-176.4-55.4167.2000107.1V179 V180 I184 A194 L203 A221 L232 V234 I237V179-I223 WeakPolarHBondContact CA-O 3.4Å; V180-I223 HydrophobicContact CG2-CB 3.86Å; V180-I223 HydrophobicContact CG2-CD1 4.49Å; V180-I223 HydrophobicContact CG2-CG2 4.46Å; V180-I223 PolarHBondContact N-O 2.86Å; V180-I223 PolarHBondContact O-N 2.8Å; I184-I223 HydrophobicContact CG1-CD1 4.46Å; A194-I223 HydrophobicContact CB-CD1 3.56Å; L203-I223 HydrophobicContact CD1-CD1 3.93Å; L203-I223 HydrophobicContact CD2-CD1 4.28Å; L203-I223 HydrophobicContact CD2-CG2 4.35Å; A221-I223 HydrophobicContact CB-CG1 4.37Å; I223-L232 HydrophobicContact CG2-CD2 3.74Å; I223-V234 HydrophobicContact CG2-CB 4.3Å; I223-V234 HydrophobicContact CG2-CG1 3.86Å; I223-V234 HydrophobicContact CG2-CG2 3.55Å; I223-I237 HydrophobicContact CG1-CD1 4.09Å; I223-I237 HydrophobicContact CG1-CG1 4.1Å
224E96.3Very high96Very high68 Ų6830.6 Ų30.632%0.31814%0.143SC..EExtended strand (participates in β ladder)trans-100.2140173.8-174.1179.7-178.300109.5T178 V179 V234 T235 G236T178-E224 WeakPolarHBondContact O-CA 3.47Å; V179-E224 HydrophobicContact CG2-CB 4.31Å; V179-E224 HydrophobicContact CG2-CG 4.15Å; E224-V234 WeakPolarHBondContact O-CA 3.45Å; E224-T235 PolarHBondContact O-N 2.89Å; E224-T235 PolarHBondContact O-OG1 2.82Å; E224-G236 PolarHBondContact N-O 2.94Å; E224-G236 PolarHBondContact O-N 2.76Å
225G96.9Very high96.2Very high3 Ų333.2 Ų33.23%0.03116%0.159CC..EExtended strand (participates in β ladder)trans175.7-171.2177.700000113.8S177 T178 Y233S177-G225 CarbonylContact C-O 3.48Å; S177-G225 WeakPolarHBondContact CA-O 3.45Å; T178-G225 WeakPolarHBondContact CG2-O 3.45Å; T178-G225 PolarHBondContact N-O 3.39Å; T178-G225 PolarHBondContact O-N 3.49Å; G225-Y233 CarbonylContact C-O 3.58Å; G225-Y233 WeakPolarHBondContact CA-O 3.41Å
226F96.6Very high96.3Very high43 Ų4333.4 Ų33.419%0.18916%0.161CC..EExtended strand (participates in β ladder)trans-112.8145.3170.267.5-90.4000109.8I175 D176 Y233I175-F226 CarbonylContact O-C 3.55Å; I175-F226 VanDerWaalsContact O-CA 3.31Å; I175-F226 WeakPolarHBondContact O-CA 3.47Å; I175-F226 WeakPolarHBondContact O-CB 3.45Å; D176-F226 WeakPolarHBondContact O-CB 3.41Å; F226-Y233 AromaticContact CD2-CD2 3.91Å; F226-Y233 HydrophobicContact CD2-CD2 3.91Å; F226-Y233 HydrophobicContact CD2-CG 4.14Å; F226-Y233 VanDerWaalsContact CE1-CB 3.41Å; F226-Y233 HydrophobicContact CE1-CG 4.13Å; F226-Y233 HydrophobicContact CE2-CD1 4.15Å; F226-Y233 AromaticContact CE2-CD2 3.4Å; F226-Y233 HydrophobicContact CE2-CD2 3.4Å; F226-Y233 HydrophobicContact CE2-CE2 4.12Å; F226-Y233 AromaticContact CE2-CG 3.43Å; F226-Y233 HydrophobicContact CE2-CG 3.43Å; F226-Y233 VanDerWaalsContact CE2-CG 3.43Å; F226-Y233 AromaticContact CZ-CD1 3.87Å; F226-Y233 HydrophobicContact CZ-CD1 3.87Å; F226-Y233 AromaticContact CZ-CD2 3.94Å; F226-Y233 HydrophobicContact CZ-CD2 3.94Å; F226-Y233 AromaticContact CZ-CG 3.42Å; F226-Y233 HydrophobicContact CZ-CG 3.42Å; F226-Y233 VanDerWaalsContact CZ-CG 3.42Å; F226-Y233 PolarHBondContact N-O 3.13Å; F226-Y233 PolarHBondContact O-N 2.95Å
227Y97.6Very high96.4Very high6 Ų633.4 Ų33.42%0.02416%0.161CC..EExtended strand (participates in β ladder)trans-110.8126.7-177.3171.6-94000110.1L168 R174 I175 V201 K230L168-Y227 HydrophobicContact CB-CD1 4.16Å; L168-Y227 HydrophobicContact CB-CD2 3.83Å; L168-Y227 HydrophobicContact CB-CE1 4.22Å; L168-Y227 HydrophobicContact CB-CE2 3.87Å; L168-Y227 HydrophobicContact CB-CG 3.95Å; L168-Y227 HydrophobicContact CD1-CD2 4.16Å; L168-Y227 HydrophobicContact CD1-CG 4.42Å; L168-Y227 HydrophobicContact CD2-CG 4.36Å; L168-Y227 HydrophobicContact CG-CD2 4.5Å; L168-Y227 HydrophobicContact CG-CG 4.48Å; L168-Y227 WeakPolarHBondContact O-CE1 3.43Å; L168-Y227 PolarHBondContact O-OH 2.83Å; L168-Y227 VanDerWaalsContact O-OH 3.09Å; R174-Y227 WeakPolarHBondContact CA-O 3.27Å; I175-Y227 HydrophobicContact CD1-CD1 4.09Å; I175-Y227 HydrophobicContact CG1-CD1 4.45Å; I175-Y227 PolarHBondContact N-O 3.34Å; I175-Y227 PolarHBondContact O-N 3.16Å; V201-Y227 HydrophobicContact CG2-CD2 4.14Å; V201-Y227 HydrophobicContact CG2-CE2 3.89Å; Y227-K230 WeakPolarHBondContact OH-CA 3.45Å
228D96.6Very high96.4Very high46 Ų4632.9 Ų32.925%0.24616%0.161CC..EExtended strand (participates in β ladder)trans-147.7140.2178-160.111.8000109.9R174 K230 I231 Y233R174-D228 HydrophobicContact CG-CB 4.29Å; D228-K230 VanDerWaalsContact C-N 3.31Å; D228-K230 PolarHBondContact O-N 2.78Å; D228-K230 VanDerWaalsContact O-N 3.11Å; D228-I231 PolarHBondContact N-O 2.9Å; D228-I231 PolarHBondContact O-N 3.4Å; D228-Y233 HydrophobicContact CB-CD2 4.46Å; D228-Y233 HydrophobicContact CB-CE2 4.06Å
229E92.9Very high96.5Very high160 Ų16033.1 Ų33.175%0.74816%0.161SC*.THydrogen-bonded Turntrans45.744.4176.9-57-168.7158.400116I231E229-I231 PolarHBondContact O-N 2.95Å
230K93.6Very high96.5Very high155 Ų15533.3 Ų33.367%0.67416%0.162SC*.THydrogen-bonded Turntrans68.411.2-178.8-52178.5178.7177.60115.5Y227 D228Y227-K230 WeakPolarHBondContact OH-CA 3.45Å; D228-K230 VanDerWaalsContact C-N 3.31Å; D228-K230 PolarHBondContact O-N 2.78Å; D228-K230 VanDerWaalsContact O-N 3.11Å
231I97.2Very high96.1Very high41 Ų4134.3 Ų34.321%0.2117%0.169CC..EExtended strand (participates in β ladder)trans-117.2131.3175.8-59176.9000108.7N204 D228 E229 Y233N204-I231 HydrophobicContact CB-CG2 3.84Å; D228-I231 PolarHBondContact N-O 2.9Å; D228-I231 PolarHBondContact O-N 3.4Å; E229-I231 PolarHBondContact O-N 2.95Å; I231-Y233 HydrophobicContact CB-CD2 4.47Å; I231-Y233 HydrophobicContact CB-CE2 3.94Å; I231-Y233 HydrophobicContact CG2-CD2 4.19Å; I231-Y233 HydrophobicContact CG2-CE2 3.92Å
232L98.1Very high95.9Very high0 Ų034.7 Ų34.70%017%0.171CC..EExtended strand (participates in β ladder)trans-91.6111.3169.6-179.862.7000108.5L168 T178 V180 V201 Q202 L203 N204 I223 V234L168-L232 HydrophobicContact CD1-CD1 4.37Å; L168-L232 HydrophobicContact CD1-CD2 4.48Å; T178-L232 HydrophobicContact CG2-CD1 3.75Å; V180-L232 HydrophobicContact CG2-CD2 3.68Å; V201-L232 HydrophobicContact CG1-CB 4.45Å; V201-L232 HydrophobicContact CG1-CD2 4.44Å; V201-L232 HydrophobicContact CG2-CB 3.99Å; Q202-L232 PolarHBondContact O-N 3.01Å; L203-L232 WeakPolarHBondContact CA-O 3.38Å; L203-L232 HydrophobicContact CD2-CB 4Å; L203-L232 HydrophobicContact CD2-CD2 3.82Å; L203-L232 HydrophobicContact CD2-CG 4.23Å; N204-L232 PolarHBondContact N-O 2.86Å; I223-L232 HydrophobicContact CG2-CD2 3.74Å; L232-V234 HydrophobicContact CG-CG2 4.45Å; L232-V234 PolarHBondContact O-N 2.95Å
233Y98.2Very high95.6Very high63 Ų6334 Ų3425%0.24717%0.167CC..EExtended strand (participates in β ladder)trans-83.7107.1175.4-66-99.5000108.7N204 G225 F226 D228 I231N204-Y233 HydrophobicContact CB-CD1 3.89Å; N204-Y233 HydrophobicContact CB-CE1 4.29Å; N204-Y233 HydrophobicContact CB-CG 4.36Å; N204-Y233 WeakPolarHBondContact ND2-CD1 3.42Å; N204-Y233 VanDerWaalsContact ND2-CE1 3.33Å; N204-Y233 WeakPolarHBondContact ND2-CE1 3.49Å; G225-Y233 CarbonylContact C-O 3.58Å; G225-Y233 WeakPolarHBondContact CA-O 3.41Å; F226-Y233 AromaticContact CD2-CD2 3.91Å; F226-Y233 HydrophobicContact CD2-CD2 3.91Å; F226-Y233 HydrophobicContact CD2-CG 4.14Å; F226-Y233 VanDerWaalsContact CE1-CB 3.41Å; F226-Y233 HydrophobicContact CE1-CG 4.13Å; F226-Y233 HydrophobicContact CE2-CD1 4.15Å; F226-Y233 AromaticContact CE2-CD2 3.4Å; F226-Y233 HydrophobicContact CE2-CD2 3.4Å; F226-Y233 HydrophobicContact CE2-CE2 4.12Å; F226-Y233 AromaticContact CE2-CG 3.43Å; F226-Y233 HydrophobicContact CE2-CG 3.43Å; F226-Y233 VanDerWaalsContact CE2-CG 3.43Å; F226-Y233 AromaticContact CZ-CD1 3.87Å; F226-Y233 HydrophobicContact CZ-CD1 3.87Å; F226-Y233 AromaticContact CZ-CD2 3.94Å; F226-Y233 HydrophobicContact CZ-CD2 3.94Å; F226-Y233 AromaticContact CZ-CG 3.42Å; F226-Y233 HydrophobicContact CZ-CG 3.42Å; F226-Y233 VanDerWaalsContact CZ-CG 3.42Å; F226-Y233 PolarHBondContact N-O 3.13Å; F226-Y233 PolarHBondContact O-N 2.95Å; D228-Y233 HydrophobicContact CB-CD2 4.46Å; D228-Y233 HydrophobicContact CB-CE2 4.06Å; I231-Y233 HydrophobicContact CB-CD2 4.47Å; I231-Y233 HydrophobicContact CB-CE2 3.94Å; I231-Y233 HydrophobicContact CG2-CD2 4.19Å; I231-Y233 HydrophobicContact CG2-CE2 3.92Å
234V98.2Very high95.3Very high3 Ų335 Ų352%0.01817%0.174CC..EExtended strand (participates in β ladder)trans-81.9123.8-170.1-179.10000109.7L203 N204 L205 Q207 A208 I223 E224 L232 G236 I237L203-V234 HydrophobicContact CB-CG2 4.17Å; L203-V234 HydrophobicContact CD2-CG2 4.03Å; N204-V234 WeakPolarHBondContact O-CB 3.38Å; N204-V234 PolarHBondContact O-N 2.91Å; L205-V234 HydrophobicContact CD2-CB 3.9Å; L205-V234 HydrophobicContact CD2-CG1 4.17Å; L205-V234 HydrophobicContact CD2-CG2 3.71Å; Q207-V234 CarbonylContact C-O 3.56Å; A208-V234 VanDerWaalsContact CA-O 3.3Å; A208-V234 WeakPolarHBondContact CA-O 3.3Å; A208-V234 HydrophobicContact CB-CB 3.96Å; A208-V234 HydrophobicContact CB-CG1 3.66Å; A208-V234 PolarHBondContact N-O 2.91Å; I223-V234 HydrophobicContact CG2-CB 4.3Å; I223-V234 HydrophobicContact CG2-CG1 3.86Å; I223-V234 HydrophobicContact CG2-CG2 3.55Å; E224-V234 WeakPolarHBondContact O-CA 3.45Å; L232-V234 HydrophobicContact CG-CG2 4.45Å; L232-V234 PolarHBondContact O-N 2.95Å; V234-G236 WeakPolarHBondContact CG1-O 3.43Å; V234-I237 HydrophobicContact CG1-CB 4.09Å
235T97.1Very high95.1Very high59 Ų5932.4 Ų32.436%0.36216%0.163SC..EExtended strand (participates in β ladder)trans-96.2-36.3172.353.70000110.9V209 E224V209-T235 PolarHBondContact N-O 3.29Å; E224-T235 PolarHBondContact O-N 2.89Å; E224-T235 PolarHBondContact O-OG1 2.82Å
236G96.1Very high94.8Very high6 Ų637.4 Ų37.46%0.06219%0.186CC..EExtended strand (participates in β ladder)trans-142.5139.9-179.600000112V209 E224 V234V209-G236 WeakPolarHBondContact O-CA 3.31Å; E224-G236 PolarHBondContact N-O 2.94Å; E224-G236 PolarHBondContact O-N 2.76Å; V234-G236 WeakPolarHBondContact CG1-O 3.43Å
237I96.3Very high94.6Very high1 Ų138.7 Ų38.71%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-139.6131.3176-170.7167.6000110.8I184 A208 V209 F210 H211 L215 A221 L222 I223 V234I184-I237 HydrophobicContact CD1-CD1 3.54Å; I184-I237 HydrophobicContact CD1-CG1 4.39Å; I184-I237 HydrophobicContact CG1-CD1 4.48Å; A208-I237 HydrophobicContact CB-CG2 4.49Å; V209-I237 PolarHBondContact O-N 2.89Å; F210-I237 HydrophobicContact CB-CG2 4.29Å; F210-I237 HydrophobicContact CD1-CG2 3.22Å; F210-I237 HydrophobicContact CD2-CG2 4.13Å; F210-I237 HydrophobicContact CE1-CD1 4.43Å; F210-I237 HydrophobicContact CE1-CG2 3.38Å; F210-I237 HydrophobicContact CE2-CG2 4.25Å; F210-I237 HydrophobicContact CG-CG2 3.63Å; F210-I237 HydrophobicContact CZ-CG2 3.91Å; H211-I237 PolarHBondContact CD2-O 3.43Å; H211-I237 PolarHBondContact N-O 3.44Å; L215-I237 HydrophobicContact CD1-CG1 4.3Å; A221-I237 HydrophobicContact CB-CG1 4.12Å; L222-I237 WeakPolarHBondContact O-CA 3.47Å; I223-I237 HydrophobicContact CG1-CD1 4.09Å; I223-I237 HydrophobicContact CG1-CG1 4.1Å; V234-I237 HydrophobicContact CG1-CB 4.09Å
238G94.3Very high94.3Very high6 Ų638.4 Ų38.46%0.06219%0.193CC..EExtended strand (participates in β ladder)trans-153.5155.9-173.400000113.8A221 L222A221-G238 WeakPolarHBondContact CA-O 3.4Å; L222-G238 PolarHBondContact N-O 3.4Å; L222-G238 PolarHBondContact O-N 2.71Å
239L95.4Very high94.1Very high8 Ų837.9 Ų37.94%0.04219%0.187CC..PPolyproline II helixtrans-63.8137.2169.6-77.3175000110.4L215 R521 C522 S525 Q526L215-L239 HydrophobicContact CD2-CD2 3.45Å; L215-L239 VanDerWaalsContact CD2-CD2 3.45Å; L215-L239 HydrophobicContact CD2-CG 3.79Å; L215-L239 HydrophobicContact CG-CD2 4.3Å; L215-L239 HydrophobicContact CG-CG 4.26Å; L239-R521 HydrophobicContact CD1-CB 4.42Å; L239-R521 HydrophobicContact CD1-CG 3.9Å; L239-C522 HydrophobicContact CD1-CB 4.22Å; L239-S525 WeakPolarHBondContact CB-OG 3.3Å; L239-Q526 HydrophobicContact CD2-CG 4.35Å; L239-Q526 VanDerWaalsContact CD2-NE2 3.3Å
240P94.1Very high94.1Very high3 Ų339.3 Ų39.32%0.01919%0.186CC..PPolyproline II helixtrans-59142.8175.321.3-29.8000111I136 I140 L181 I220 L222 S525I136-P240 HydrophobicContact CD1-CG 4.49Å; I136-P240 HydrophobicContact CG2-CB 3.8Å; I136-P240 HydrophobicContact CG2-CG 3.53Å; I140-P240 HydrophobicContact CD1-CB 3.61Å; I140-P240 HydrophobicContact CG1-CB 4.22Å; L181-P240 HydrophobicContact CD1-CB 4.49Å; I220-P240 WeakPolarHBondContact O-CD 3.41Å; L222-P240 HydrophobicContact CG-CB 4.48Å; P240-S525 WeakPolarHBondContact CD-OG 3.38Å; P240-S525 VanDerWaalsContact CG-OG 3.25Å; P240-S525 WeakPolarHBondContact CG-OG 3.17Å; P240-S525 WeakPolarHBondContact O-CB 3.28Å; P240-S525 PolarHBondContact O-OG 3.17Å
241P91.3Very high94Very high24 Ų2432.2 Ų32.216%0.15616%0.156CC..PPolyproline II helixtrans-56.9144.5176.322.4-35000112I140I140-P241 HydrophobicContact CD1-CG 3.75Å
242C92.1Very high93.8Very high8 Ų830.8 Ų30.85%0.05415%0.148CC..PPolyproline II helixtrans-73.4151.2174.8-67.40000111.2A524 S525 V575 T576C242-A524 VanDerWaalsContact SG-C 3.54Å; C242-A524 VanDerWaalsContact SG-CB 3.58Å; C242-S525 PolarHBondContact SG-N 2.88Å; C242-S525 VanDerWaalsContact SG-N 3.38Å; C242-V575 WeakPolarHBondContact CB-O 3.44Å; C242-V575 PolarHBondContact N-O 3.12Å; C242-T576 PolarHBondContact SG-O 3.36Å
243E90.6Very high93.3Very high10 Ų1033.5 Ų33.55%0.04717%0.168CC..  trans-111.2129.8173.1-17717864.600108.9R139 R142 I247 S248R139-E243 HydrophobicContact CB-CB 4.23Å; R139-E243 HydrophobicContact CG-CB 3.99Å; R142-E243 IonicContact CZ-OE1 3.34Å; R142-E243 IonicContact CZ-OE2 3.52Å; R142-E243 IonicContact NE-OE1 2.74Å; R142-E243 IonicContact NE-OE2 3.71Å; R142-E243 PolarHBondContact NE-OE2 3.24Å; R142-E243 IonicContact NH2-OE1 2.58Å; R142-E243 PolarHBondContact NH2-OE1 3.31Å; R142-E243 IonicContact NH2-OE2 2.9Å; R142-E243 PolarHBondContact NH2-OE2 2.95Å; E243-I247 HydrophobicContact CG-CB 3.9Å; E243-I247 HydrophobicContact CG-CG2 3.97Å; E243-I247 VanDerWaalsContact OE2-CG2 3.23Å; E243-I247 WeakPolarHBondContact OE2-CG2 3.48Å; E243-S248 WeakPolarHBondContact CG-OG 3.47Å; E243-S248 VanDerWaalsContact OE1-CA 3.24Å; E243-S248 WeakPolarHBondContact OE1-CA 3.45Å; E243-S248 WeakPolarHBondContact OE1-CB 3.3Å; E243-S248 PolarHBondContact OE1-OG 3.35Å
244P91.4Very high92.8Very high21 Ų2132.6 Ų32.614%0.13617%0.169CC..  trans-66146.8176.728-35.2000111.1E246 I247 S248 L574P244-E246 PolarHBondContact O-N 3.12Å; P244-E246 VanDerWaalsContact O-N 3.15Å; P244-I247 HydrophobicContact CG-CB 4.36Å; P244-I247 HydrophobicContact CG-CD1 3.6Å; P244-I247 HydrophobicContact CG-CG1 3.89Å; P244-I247 PolarHBondContact O-N 3.35Å; P244-S248 PolarHBondContact O-N 2.83Å; P244-L574 HydrophobicContact CB-CD1 3.94Å; P244-L574 HydrophobicContact CG-CD1 4.11Å
245P92.4Very high92.1Very high14 Ų1434.6 Ų34.69%0.09119%0.19CC..Hα-helixtrans-62.7-26.9-171.223.9-32.8000113.9I247 S248 R249 P551 L552P245-I247 VanDerWaalsContact C-N 3.27Å; P245-I247 PolarHBondContact O-N 2.98Å; P245-S248 PolarHBondContact O-N 3.47Å; P245-R249 WeakPolarHBondContact O-CB 3.33Å; P245-R249 WeakPolarHBondContact O-CG 3.41Å; P245-R249 PolarHBondContact O-N 2.95Å; P245-P551 HydrophobicContact CB-CB 4.03Å; P245-L552 WeakPolarHBondContact CB-O 3.41Å
246E90.1Very high91.7Very high109 Ų10932.7 Ų32.751%0.50918%0.177SC..Hα-helixtrans-63-34.2176.6-62.568.6-145.900112.1P244 R250P244-E246 PolarHBondContact O-N 3.12Å; P244-E246 VanDerWaalsContact O-N 3.15Å; E246-R250 WeakPolarHBondContact O-CG 3.14Å
247I91.6Very high91.5Very high70 Ų7032.5 Ų32.536%0.35918%0.175SC..Hα-helixtrans-80.2-48.5176.7-59.1179.3000109.2E243 P244 P245 R249 R250E243-I247 HydrophobicContact CG-CB 3.9Å; E243-I247 HydrophobicContact CG-CG2 3.97Å; E243-I247 VanDerWaalsContact OE2-CG2 3.23Å; E243-I247 WeakPolarHBondContact OE2-CG2 3.48Å; P244-I247 HydrophobicContact CG-CB 4.36Å; P244-I247 HydrophobicContact CG-CD1 3.6Å; P244-I247 HydrophobicContact CG-CG1 3.89Å; P244-I247 PolarHBondContact O-N 3.35Å; P245-I247 VanDerWaalsContact C-N 3.27Å; P245-I247 PolarHBondContact O-N 2.98Å; I247-R249 VanDerWaalsContact C-N 3.27Å; I247-R249 PolarHBondContact O-N 3.19Å; I247-R250 WeakPolarHBondContact O-CB 3.4Å; I247-R250 PolarHBondContact O-N 3.19Å
248S92.9Very high91.4Very high0 Ų032.7 Ų32.70%018%0.176CC..Hα-helixtrans-56.1-40.9-179.7-59.60000112.3E243 P244 P245 R250 A251 F252E243-S248 WeakPolarHBondContact CG-OG 3.47Å; E243-S248 VanDerWaalsContact OE1-CA 3.24Å; E243-S248 WeakPolarHBondContact OE1-CA 3.45Å; E243-S248 WeakPolarHBondContact OE1-CB 3.3Å; E243-S248 PolarHBondContact OE1-OG 3.35Å; P244-S248 PolarHBondContact O-N 2.83Å; P245-S248 PolarHBondContact O-N 3.47Å; S248-R250 VanDerWaalsContact C-N 3.26Å; S248-R250 PolarHBondContact O-N 2.84Å; S248-A251 WeakPolarHBondContact O-CB 3.5Å; S248-A251 PolarHBondContact O-N 3.48Å; S248-F252 VanDerWaalsContact O-CD2 3.26Å; S248-F252 WeakPolarHBondContact O-CD2 3.22Å
249R92.3Very high91.2Very high34 Ų3432.6 Ų32.613%0.12818%0.175CC..Hα-helixtrans-60.1-31.5179-76.4174.8-154.9-86.6-7113.5P245 I247 A251 F252 P257 E434 P551P245-R249 WeakPolarHBondContact O-CB 3.33Å; P245-R249 WeakPolarHBondContact O-CG 3.41Å; P245-R249 PolarHBondContact O-N 2.95Å; I247-R249 VanDerWaalsContact C-N 3.27Å; I247-R249 PolarHBondContact O-N 3.19Å; R249-A251 PolarHBondContact O-N 3.41Å; R249-F252 PolarHBondContact O-N 2.92Å; R249-P257 HydrophobicContact CG-CG 4.43Å; R249-E434 IonicContact CZ-OE1 2.73Å; R249-E434 IonicContact CZ-OE2 2.95Å; R249-E434 IonicContact NH1-OE1 3.51Å; R249-E434 PolarHBondContact NH1-OE1 3.35Å; R249-E434 IonicContact NH1-OE2 3.3Å; R249-E434 PolarHBondContact NH1-OE2 2.96Å; R249-E434 VanDerWaalsContact NH2-CD 3.28Å; R249-E434 IonicContact NH2-OE1 3.57Å; R249-E434 PolarHBondContact NH2-OE1 2.83Å; R249-E434 IonicContact NH2-OE2 3.28Å; R249-E434 PolarHBondContact NH2-OE2 3.03Å; R249-P551 HydrophobicContact CG-CB 4.14Å; R249-P551 HydrophobicContact CG-CG 3.6Å
250R91.7Very high90.4Very high190 Ų19033.5 Ų33.572%0.71719%0.186SC*.Hα-helixtrans-65.9-22.9177.4-61.7173.9-172.2-178.6-0.2112.4E246 I247 S248 F252E246-R250 WeakPolarHBondContact O-CG 3.14Å; I247-R250 WeakPolarHBondContact O-CB 3.4Å; I247-R250 PolarHBondContact O-N 3.19Å; S248-R250 VanDerWaalsContact C-N 3.26Å; S248-R250 PolarHBondContact O-N 2.84Å; R250-F252 VanDerWaalsContact C-N 3.29Å
251A92Very high89.2Confident7 Ų735.6 Ų35.66%0.05820%0.2CC..THydrogen-bonded Turntrans-80.4-6.8175.600000113K102 F103 S248 R249K102-A251 CarbonylContact C-O 3.56Å; K102-A251 WeakPolarHBondContact CA-O 3.23Å; K102-A251 WeakPolarHBondContact CB-O 3.32Å; F103-A251 HydrophobicContact CD2-CB 4.12Å; F103-A251 HydrophobicContact CE2-CB 4.32Å; F103-A251 PolarHBondContact N-O 3.23Å; S248-A251 WeakPolarHBondContact O-CB 3.5Å; S248-A251 PolarHBondContact O-N 3.48Å; R249-A251 PolarHBondContact O-N 3.41Å
252F92.7Very high87.6Confident10 Ų1042.9 Ų42.94%0.04424%0.238CC..BIsolated β-bridgetrans-92.9144.3175.1-71.7-99.5000111.2F94 F103 S248 R249 R250 V254 P257 N550 P551F94-F252 HydrophobicContact CB-CE1 4.2Å; F94-F252 HydrophobicContact CD1-CD1 4.08Å; F94-F252 HydrophobicContact CD1-CE1 4.34Å; F94-F252 HydrophobicContact CD2-CD1 4.11Å; F94-F252 AromaticContact CD2-CE1 3.63Å; F94-F252 HydrophobicContact CD2-CE1 3.63Å; F94-F252 HydrophobicContact CE1-CD1 4.33Å; F94-F252 HydrophobicContact CE2-CD1 4.32Å; F94-F252 HydrophobicContact CE2-CE1 4.1Å; F94-F252 AromaticContact CG-CD1 3.98Å; F94-F252 HydrophobicContact CG-CD1 3.98Å; F94-F252 AromaticContact CG-CE1 3.77Å; F94-F252 HydrophobicContact CG-CE1 3.77Å; F94-F252 HydrophobicContact CZ-CD1 4.45Å; F103-F252 HydrophobicContact CB-CD1 3.48Å; F103-F252 VanDerWaalsContact CB-CD1 3.48Å; F103-F252 HydrophobicContact CB-CE1 3.65Å; F103-F252 HydrophobicContact CB-CG 3.99Å; F103-F252 HydrophobicContact CB-CZ 4.28Å; F103-F252 HydrophobicContact CD2-CD2 4.31Å; F103-F252 HydrophobicContact CD2-CE1 4.31Å; F103-F252 HydrophobicContact CD2-CE2 4.07Å; F103-F252 HydrophobicContact CD2-CZ 4.08Å; F103-F252 HydrophobicContact CG-CD1 4.22Å; F103-F252 AromaticContact CG-CE1 3.96Å; F103-F252 HydrophobicContact CG-CE1 3.96Å; F103-F252 HydrophobicContact CG-CZ 4.13Å; S248-F252 VanDerWaalsContact O-CD2 3.26Å; S248-F252 WeakPolarHBondContact O-CD2 3.22Å; R249-F252 PolarHBondContact O-N 2.92Å; R250-F252 VanDerWaalsContact C-N 3.29Å; F252-V254 HydrophobicContact CB-CG2 4.43Å; F252-P257 HydrophobicContact CB-CB 4.49Å; F252-P257 HydrophobicContact CD1-CB 3.57Å; F252-P257 HydrophobicContact CD1-CG 4.36Å; F252-P257 HydrophobicContact CD2-CB 4.37Å; F252-P257 HydrophobicContact CD2-CG 4.35Å; F252-P257 HydrophobicContact CE1-CB 3.79Å; F252-P257 HydrophobicContact CG-CB 3.89Å; F252-P257 HydrophobicContact CG-CG 4.17Å; F252-P257 HydrophobicContact CZ-CB 4.28Å; F252-N550 WeakPolarHBondContact CZ-ND2 3.14Å; F252-P551 HydrophobicContact CD2-CG 4.24Å; F252-P551 HydrophobicContact CE2-CG 3.78Å; F252-P551 HydrophobicContact CZ-CG 4.4Å
253S88.4Confident86Confident58 Ų5847 Ų4741%0.40626%0.263SS..SBendtrans-81.2-18.8172.358.20000113.1F103 V104F103-S253 WeakPolarHBondContact O-CB 3.38Å; F103-S253 PolarHBondContact O-N 2.58Å; F103-S253 PolarHBondContact O-OG 3.4Å; V104-S253 WeakPolarHBondContact CA-OG 3.4Å
254V86.7Confident84.3Confident44 Ų4452.5 Ų52.527%0.26730%0.303SS..SBendtrans-97.5150.8178.9-61.40000112F94 P105 F252 P257F94-V254 HydrophobicContact CD1-CG2 4.36Å; F94-V254 HydrophobicContact CE1-CB 4.28Å; F94-V254 HydrophobicContact CE1-CG1 3.98Å; F94-V254 HydrophobicContact CE1-CG2 3.3Å; F94-V254 HydrophobicContact CZ-CG2 3.5Å; F94-V254 VanDerWaalsContact CZ-CG2 3.5Å; P105-V254 HydrophobicContact CG-CG1 3.46Å; P105-V254 VanDerWaalsContact CG-CG1 3.46Å; F252-V254 HydrophobicContact CB-CG2 4.43Å; V254-P257 HydrophobicContact CG2-CB 4.23Å
255G83.8Confident82.8Confident45 Ų4558.6 Ų58.646%0.46433%0.334SS..SBendtrans-68.9-34.917800000114A268G255-A268 WeakPolarHBondContact O-CB 3.38Å; G255-A268 PolarHBondContact O-N 3.41Å
256N90.3Very high81.8Confident18 Ų1858.8 Ų58.810%0.09634%0.336CS..  trans-126.988.1-178.5-179.412.5000111.8F258 G259 S266N256-F258 VanDerWaalsContact C-N 3.25Å; N256-F258 PolarHBondContact O-N 3.29Å; N256-F258 WeakPolarHBondContact OD1-CB 3.34Å; N256-F258 PolarHBondContact OD1-N 3.38Å; N256-F258 VanDerWaalsContact OD1-N 3.15Å; N256-G259 PolarHBondContact ND2-O 3.17Å; N256-G259 PolarHBondContact OD1-N 2.9Å; N256-S266 VanDerWaalsContact CB-O 3.31Å; N256-S266 WeakPolarHBondContact CB-O 3.43Å; N256-S266 PolarHBondContact ND2-OG 3.44Å
257P91.7Very high81.3Confident3 Ų357.8 Ų57.82%0.01933%0.333CS..SBendtrans-74.5-13.7175.630.5-35.3000113.7F94 R249 F252 V254 P551F94-P257 HydrophobicContact CE2-CB 3.92Å; F94-P257 HydrophobicContact CZ-CB 4.05Å; R249-P257 HydrophobicContact CG-CG 4.43Å; F252-P257 HydrophobicContact CB-CB 4.49Å; F252-P257 HydrophobicContact CD1-CB 3.57Å; F252-P257 HydrophobicContact CD1-CG 4.36Å; F252-P257 HydrophobicContact CD2-CB 4.37Å; F252-P257 HydrophobicContact CD2-CG 4.35Å; F252-P257 HydrophobicContact CE1-CB 3.79Å; F252-P257 HydrophobicContact CG-CB 3.89Å; F252-P257 HydrophobicContact CG-CG 4.17Å; F252-P257 HydrophobicContact CZ-CB 4.28Å; V254-P257 HydrophobicContact CG2-CB 4.23Å; P257-P551 HydrophobicContact CG-CG 3.85Å
258F93.6Very high81.1Confident5 Ų554.4 Ų54.42%0.02232%0.316CS..SBendtrans-75.8-32.1-178.2-168.6-105.7000112.4I86 N256 R427 L428 R429 E434 V436 P553I86-F258 HydrophobicContact CD1-CD1 3.83Å; I86-F258 HydrophobicContact CD1-CE1 3.87Å; N256-F258 VanDerWaalsContact C-N 3.25Å; N256-F258 PolarHBondContact O-N 3.29Å; N256-F258 WeakPolarHBondContact OD1-CB 3.34Å; N256-F258 PolarHBondContact OD1-N 3.38Å; N256-F258 VanDerWaalsContact OD1-N 3.15Å; F258-R427 HydrophobicContact CE1-CB 3.79Å; F258-R427 HydrophobicContact CE2-CB 4.33Å; F258-R427 HydrophobicContact CE2-CG 4.4Å; F258-R427 HydrophobicContact CZ-CB 3.6Å; F258-R427 HydrophobicContact CZ-CG 4.13Å; F258-R427 PolarHBondContact O-NH1 3.3Å; F258-L428 WeakPolarHBondContact CE1-O 3.5Å; F258-R429 HydrophobicContact CE1-CB 4.44Å; F258-E434 VanDerWaalsContact CB-CD 3.48Å; F258-E434 HydrophobicContact CB-CG 4.34Å; F258-E434 WeakPolarHBondContact CB-OE1 3.44Å; F258-E434 HydrophobicContact CD1-CB 4.19Å; F258-E434 HydrophobicContact CD1-CG 3.65Å; F258-E434 HydrophobicContact CD2-CB 3.97Å; F258-E434 HydrophobicContact CD2-CG 3.95Å; F258-E434 WeakPolarHBondContact CD2-OE2 3.47Å; F258-E434 HydrophobicContact CE1-CB 3.86Å; F258-E434 HydrophobicContact CE1-CG 3.78Å; F258-E434 HydrophobicContact CE2-CB 3.65Å; F258-E434 HydrophobicContact CE2-CG 4.1Å; F258-E434 HydrophobicContact CG-CB 4.22Å; F258-E434 HydrophobicContact CG-CG 3.72Å; F258-E434 WeakPolarHBondContact CG-OE2 3.3Å; F258-E434 HydrophobicContact CZ-CB 3.56Å; F258-E434 HydrophobicContact CZ-CG 3.99Å; F258-V436 HydrophobicContact CE2-CG2 3.97Å; F258-V436 HydrophobicContact CZ-CG2 4.27Å; F258-P553 HydrophobicContact CE2-CB 4.24Å
259G89.4Confident80.8Confident4 Ų454.4 Ų54.44%0.04132%0.316CS..  trans97.5-167.6-179.100000113.5N256N256-G259 PolarHBondContact ND2-O 3.17Å; N256-G259 PolarHBondContact OD1-N 2.9Å
260G79.3Confident80.5Confident27 Ų2755.9 Ų55.928%0.27833%0.332SS..  trans96.96.5173.100000117Y84 I86Y84-G260 WeakPolarHBondContact CD1-O 3.48Å; I86-G260 VanDerWaalsContact CD1-CA 3.5Å
261C69.5Low80.3Confident46 Ų4651.8 Ų51.831%0.31132%0.323SS..  trans-138.8141.9170-80.40000109.8S266C261-S266 VanDerWaalsContact CB-CB 3.41Å; C261-S266 WeakPolarHBondContact CB-OG 3.35Å; C261-S266 PolarHBondContact SG-OG 3.03Å; C261-S266 VanDerWaalsContact SG-OG 3.4Å
262D57.1Low80.2Confident177 Ų17752.9 Ų52.995%0.94733%0.328SS*.SBendtrans-79.7-22.7176.1-60-33.8000112.3
263T58Low80Confident95 Ų9557 Ų5758%0.58336%0.355SS*.SBendtrans-80130-178.858.20000110.9D265 S266T263-D265 PolarHBondContact O-N 2.74Å; T263-D265 VanDerWaalsContact O-N 3.08Å; T263-S266 PolarHBondContact O-N 2.84Å; T263-S266 VanDerWaalsContact O-N 3.14Å
264S56.3Low80Confident126 Ų12658.3 Ų58.388%0.88135%0.353SS*.THydrogen-bonded Turntrans-60-21.9179.265.80000113.5S266S264-S266 VanDerWaalsContact C-N 3.3Å; S264-S266 PolarHBondContact O-N 2.81Å
265D58.3Low80.2Confident149 Ų14956.6 Ų56.680%0.79734%0.342SS*.THydrogen-bonded Turntrans-87.27.6-178.1-115.34000113.8T263 L267T263-D265 PolarHBondContact O-N 2.74Å; T263-D265 VanDerWaalsContact O-N 3.08Å; D265-L267 PolarHBondContact O-N 2.91Å
266S71.7Confident80.5Confident17 Ų1758.8 Ų58.812%0.11934%0.34CS..PPolyproline II helixtrans-65.6124.8176.5-178.70000111.4N256 C261 T263 S264N256-S266 VanDerWaalsContact CB-O 3.31Å; N256-S266 WeakPolarHBondContact CB-O 3.43Å; N256-S266 PolarHBondContact ND2-OG 3.44Å; C261-S266 VanDerWaalsContact CB-CB 3.41Å; C261-S266 WeakPolarHBondContact CB-OG 3.35Å; C261-S266 PolarHBondContact SG-OG 3.03Å; C261-S266 VanDerWaalsContact SG-OG 3.4Å; T263-S266 PolarHBondContact O-N 2.84Å; T263-S266 VanDerWaalsContact O-N 3.14Å; S264-S266 VanDerWaalsContact C-N 3.3Å; S264-S266 PolarHBondContact O-N 2.81Å
267L80.6Confident80.5Confident88 Ų8864.5 Ų64.546%0.46136%0.364SS..PPolyproline II helixtrans-69.7146.6169.7-62.8172000110.7D265 R429D265-L267 PolarHBondContact O-N 2.91Å; L267-R429 PolarHBondContact O-NH1 3.25Å
268A85.9Confident80.4Confident0 Ų066.3 Ų66.30%037%0.373CS..PPolyproline II helixtrans-55.9151163.100000110.4G255 S270 L271 D272G255-A268 WeakPolarHBondContact O-CB 3.38Å; G255-A268 PolarHBondContact O-N 3.41Å; A268-S270 PolarHBondContact O-N 2.97Å; A268-S270 VanDerWaalsContact O-N 3.16Å; A268-L271 HydrophobicContact CB-CD1 4.48Å; A268-L271 HydrophobicContact CB-CG 4.46Å; A268-L271 PolarHBondContact O-N 3.23Å; A268-D272 PolarHBondContact O-N 3.15Å
269A88.2Confident80.3Confident0 Ų066.1 Ų66.10%037%0.372CS..G310 helixtrans-54.5-38.5-179.100000112.5L271 D272 R429 T432 E434A269-L271 VanDerWaalsContact C-N 3.32Å; A269-L271 PolarHBondContact O-N 3.11Å; A269-D272 PolarHBondContact O-N 3.43Å; A269-R429 HydrophobicContact CB-CG 4.08Å; A269-T432 WeakPolarHBondContact O-CA 3.15Å; A269-T432 VanDerWaalsContact O-CB 3.27Å; A269-T432 WeakPolarHBondContact O-CB 3.24Å; A269-T432 VanDerWaalsContact O-CG2 3.25Å; A269-T432 WeakPolarHBondContact O-CG2 3.21Å; A269-E434 HydrophobicContact CB-CG 3.68Å
270S86.2Confident80.4Confident65 Ų6569 Ų6946%0.45539%0.389SS..G310 helixtrans-71.2-21.3178.957.30000114.7A268A268-S270 PolarHBondContact O-N 2.97Å; A268-S270 VanDerWaalsContact O-N 3.16Å
271L87.6Confident80.8Confident104 Ų10473.1 Ų73.155%0.54541%0.409SS..G310 helixtrans-99.4-5.6-179.4-61.5178.5000112.7A268 A269 T273A268-L271 HydrophobicContact CB-CD1 4.48Å; A268-L271 HydrophobicContact CB-CG 4.46Å; A268-L271 PolarHBondContact O-N 3.23Å; A269-L271 VanDerWaalsContact C-N 3.32Å; A269-L271 PolarHBondContact O-N 3.11Å; L271-T273 PolarHBondContact O-N 3.38Å
272D89.1Confident81.7Confident29 Ų2973.2 Ų73.216%0.15541%0.409CS..  trans-77.987.7179-167.7-29.9000111.2A268 A269 K274 M275 H276 R429A268-D272 PolarHBondContact O-N 3.15Å; A269-D272 PolarHBondContact O-N 3.43Å; D272-K274 PolarHBondContact O-N 2.68Å; D272-K274 WeakPolarHBondContact OD1-CB 3.32Å; D272-K274 PolarHBondContact OD1-N 3.32Å; D272-K274 VanDerWaalsContact OD1-N 3.15Å; D272-M275 HydrophobicContact CB-CB 4.13Å; D272-M275 HydrophobicContact CB-CG 4.34Å; D272-M275 VanDerWaalsContact CG-CG 3.47Å; D272-M275 PolarHBondContact O-N 3.09Å; D272-M275 PolarHBondContact OD1-N 3.33Å; D272-M275 VanDerWaalsContact OD2-CG 3.26Å; D272-M275 WeakPolarHBondContact OD2-CG 3.37Å; D272-H276 WeakPolarHBondContact O-CB 3.06Å; D272-H276 PolarHBondContact O-N 2.78Å; D272-R429 IonicContact OD2-NH2 3.3Å; D272-R429 PolarHBondContact OD2-NH2 2.9Å
273T88.2Confident83Confident98 Ų9871.1 Ų71.160%0.60139%0.393SS*.Hα-helixtrans-62.1-26.1-179.662.20000113.4L271 K277L271-T273 PolarHBondContact O-N 3.38Å; T273-K277 WeakPolarHBondContact O-CB 3.42Å; T273-K277 VanDerWaalsContact O-CG 3.26Å; T273-K277 WeakPolarHBondContact O-CG 3.31Å; T273-K277 PolarHBondContact O-N 3.31Å; T273-K277 VanDerWaalsContact O-N 3.1Å
274K87.7Confident84.3Confident84 Ų8469.7 Ų69.737%0.36539%0.391SS..Hα-helixtrans-70.3-50.4177-174.3-172.5-173.9178.80109.6N80 D272 H276 K277 L278N80-K274 VanDerWaalsContact OD1-CE 3.23Å; N80-K274 WeakPolarHBondContact OD1-CE 3.24Å; N80-K274 PolarHBondContact OD1-NZ 2.79Å; D272-K274 PolarHBondContact O-N 2.68Å; D272-K274 WeakPolarHBondContact OD1-CB 3.32Å; D272-K274 PolarHBondContact OD1-N 3.32Å; D272-K274 VanDerWaalsContact OD1-N 3.15Å; K274-H276 VanDerWaalsContact C-N 3.31Å; K274-H276 PolarHBondContact O-N 3.13Å; K274-K277 PolarHBondContact O-N 2.86Å; K274-L278 WeakPolarHBondContact O-CB 3.36Å; K274-L278 PolarHBondContact O-N 3.38Å
275M90.8Very high85.8Confident8 Ų863.7 Ų63.74%0.03935%0.349CS..Hα-helixtrans-65.8-35.4177.7-68.9-57.9106.800112N80 D272 L278 L279 Y431 T432N80-M275 HydrophobicContact CB-CE 4.04Å; D272-M275 HydrophobicContact CB-CB 4.13Å; D272-M275 HydrophobicContact CB-CG 4.34Å; D272-M275 VanDerWaalsContact CG-CG 3.47Å; D272-M275 PolarHBondContact O-N 3.09Å; D272-M275 PolarHBondContact OD1-N 3.33Å; D272-M275 VanDerWaalsContact OD2-CG 3.26Å; D272-M275 WeakPolarHBondContact OD2-CG 3.37Å; M275-L278 HydrophobicContact CE-CD2 4.11Å; M275-L278 PolarHBondContact O-N 2.65Å; M275-L278 HydrophobicContact SD-CD2 4.24Å; M275-L279 WeakPolarHBondContact O-CB 3.49Å; M275-L279 PolarHBondContact O-N 3.33Å; M275-Y431 HydrophobicContact SD-CD1 4.25Å; M275-T432 HydrophobicContact CB-CG2 3.84Å
276H91.3Very high87.2Confident92 Ų9257.7 Ų57.743%0.42632%0.319SS..Hα-helixtrans-60.3-52.2174.5-174.167.2000111.3D272 K274 L278 L279 T280 T432D272-H276 WeakPolarHBondContact O-CB 3.06Å; D272-H276 PolarHBondContact O-N 2.78Å; K274-H276 VanDerWaalsContact C-N 3.31Å; K274-H276 PolarHBondContact O-N 3.13Å; H276-L278 VanDerWaalsContact C-N 3.28Å; H276-L278 PolarHBondContact O-N 2.89Å; H276-L279 PolarHBondContact O-N 3.15Å; H276-T280 WeakPolarHBondContact O-CG2 3.2Å; H276-T280 PolarHBondContact O-N 2.67Å; H276-T280 PolarHBondContact O-OG1 2.9Å; H276-T432 HydrophobicContact CB-CG2 3.88Å; H276-T432 VanDerWaalsContact N-CG2 3.33Å
277K90.1Very high88.1Confident137 Ų13760.8 Ų60.860%0.59633%0.334SS*.Hα-helixtrans-58.7-40.4176.8-73.7173.5-177.21790112T273 K274 T280 T281T273-K277 WeakPolarHBondContact O-CB 3.42Å; T273-K277 VanDerWaalsContact O-CG 3.26Å; T273-K277 WeakPolarHBondContact O-CG 3.31Å; T273-K277 PolarHBondContact O-N 3.31Å; T273-K277 VanDerWaalsContact O-N 3.1Å; K274-K277 PolarHBondContact O-N 2.86Å; K277-T280 PolarHBondContact O-N 3.45Å; K277-T281 WeakPolarHBondContact O-CB 3.45Å; K277-T281 PolarHBondContact O-N 2.94Å; K277-T281 PolarHBondContact O-OG1 2.97Å
278L88.8Confident88.8Confident41 Ų4156.8 Ų56.822%0.21531%0.314CS..Hα-helixtrans-62.2-47.8177.8-171.961.6000110.9V82 K274 M275 H276 T280 T282 Y431V82-L278 HydrophobicContact CG1-CD2 3.86Å; K274-L278 WeakPolarHBondContact O-CB 3.36Å; K274-L278 PolarHBondContact O-N 3.38Å; M275-L278 HydrophobicContact CE-CD2 4.11Å; M275-L278 PolarHBondContact O-N 2.65Å; M275-L278 HydrophobicContact SD-CD2 4.24Å; H276-L278 VanDerWaalsContact C-N 3.28Å; H276-L278 PolarHBondContact O-N 2.89Å; L278-T280 PolarHBondContact O-N 2.91Å; L278-T282 HydrophobicContact CD1-CG2 3.63Å; L278-T282 WeakPolarHBondContact O-CB 3.29Å; L278-T282 PolarHBondContact O-N 2.9Å; L278-T282 PolarHBondContact O-OG1 2.98Å; L278-Y431 HydrophobicContact CB-CD1 4.34Å; L278-Y431 HydrophobicContact CB-CE1 4.26Å; L278-Y431 HydrophobicContact CD2-CD1 4.08Å; L278-Y431 HydrophobicContact CD2-CE1 3.58Å; L278-Y431 HydrophobicContact CG-CD1 4.22Å; L278-Y431 HydrophobicContact CG-CE1 3.66Å
279L92Very high89.3Confident1 Ų157.3 Ų57.31%0.00532%0.316CS..Hα-helixtrans-64-38.8179.3-177.861.7000113.1M275 H276 G285 Y431 P611 R612M275-L279 WeakPolarHBondContact O-CB 3.49Å; M275-L279 PolarHBondContact O-N 3.33Å; H276-L279 PolarHBondContact O-N 3.15Å; L279-G285 CarbonylContact O-C 3.56Å; L279-Y431 HydrophobicContact CB-CD1 4.17Å; L279-Y431 HydrophobicContact CB-CG 4.04Å; L279-Y431 HydrophobicContact CD1-CD2 3.71Å; L279-Y431 HydrophobicContact CD1-CE2 4.11Å; L279-Y431 HydrophobicContact CD1-CG 4.03Å; L279-Y431 HydrophobicContact CG-CG 4.46Å; L279-P611 HydrophobicContact CD1-CB 3.99Å; L279-P611 HydrophobicContact CD1-CG 4.02Å; L279-R612 HydrophobicContact CD1-CB 3.95Å; L279-R612 HydrophobicContact CG-CB 4.26Å; L279-R612 WeakPolarHBondContact O-CD 3.28Å
280T91Very high89.8Confident65 Ų6557.3 Ų57.340%0.39932%0.316SS..Hα-helixtrans-90.2-32.3-173.257.40000114.2H276 K277 L278H276-T280 WeakPolarHBondContact O-CG2 3.2Å; H276-T280 PolarHBondContact O-N 2.67Å; H276-T280 PolarHBondContact O-OG1 2.9Å; K277-T280 PolarHBondContact O-N 3.45Å; L278-T280 PolarHBondContact O-N 2.91Å
281T88.8Confident90.3Very high113 Ų11354.2 Ų54.269%0.69330%0.295SS*.Hα-helixtrans-106.5-19.8-167.5-53.40000113.1K277K277-T281 WeakPolarHBondContact O-CB 3.45Å; K277-T281 PolarHBondContact O-N 2.94Å; K277-T281 PolarHBondContact O-OG1 2.97Å
282T87.2Confident90.9Very high49 Ų4949.3 Ų49.330%0.30127%0.269SS..SBendtrans-100.8150.3-177.873.10000112.7L278 A284 G285 S286L278-T282 HydrophobicContact CD1-CG2 3.63Å; L278-T282 WeakPolarHBondContact O-CB 3.29Å; L278-T282 PolarHBondContact O-N 2.9Å; L278-T282 PolarHBondContact O-OG1 2.98Å; T282-A284 VanDerWaalsContact C-N 3.3Å; T282-A284 PolarHBondContact O-N 3.46Å; T282-G285 WeakPolarHBondContact O-CA 3.44Å; T282-G285 PolarHBondContact O-N 3.2Å; T282-G285 VanDerWaalsContact O-N 3.09Å; T282-G285 PolarHBondContact OG1-N 2.78Å; T282-G285 VanDerWaalsContact OG1-N 3.14Å; T282-S286 PolarHBondContact O-N 2.98Å
283Q85.4Confident91.3Very high132 Ų13247.9 Ų47.962%0.61726%0.261SS*.Hα-helixtrans-60.4-39.9174.1-170.464.730.200111.6G285 S286 D287Q283-G285 PolarHBondContact O-N 3.4Å; Q283-S286 WeakPolarHBondContact CA-OG 3.29Å; Q283-S286 PolarHBondContact NE2-OG 2.8Å; Q283-S286 PolarHBondContact O-N 3.41Å; Q283-S286 PolarHBondContact O-OG 2.88Å; Q283-D287 WeakPolarHBondContact CG-OD2 3.35Å; Q283-D287 PolarHBondContact NE2-OD1 3.35Å; Q283-D287 PolarHBondContact NE2-OD2 2.82Å; Q283-D287 WeakPolarHBondContact O-CB 3.47Å; Q283-D287 VanDerWaalsContact O-CG 3.3Å; Q283-D287 PolarHBondContact O-N 3.2Å
284A85.2Confident91.7Very high65 Ų6543.2 Ų43.254%0.53723%0.233SC..Hα-helixtrans-60.3-34.9174.600000112.3T282 A288T282-A284 VanDerWaalsContact C-N 3.3Å; T282-A284 PolarHBondContact O-N 3.46Å; A284-A288 WeakPolarHBondContact O-CB 3.38Å; A284-A288 PolarHBondContact O-N 2.99Å; A284-A288 VanDerWaalsContact O-N 3.13Å
285G87.3Confident92.2Very high0 Ų039.5 Ų39.50%022%0.216CC..Hα-helixtrans-71.3-34.8171.700000113.2L279 T282 Q283L279-G285 CarbonylContact O-C 3.56Å; T282-G285 WeakPolarHBondContact O-CA 3.44Å; T282-G285 PolarHBondContact O-N 3.2Å; T282-G285 VanDerWaalsContact O-N 3.09Å; T282-G285 PolarHBondContact OG1-N 2.78Å; T282-G285 VanDerWaalsContact OG1-N 3.14Å; Q283-G285 PolarHBondContact O-N 3.4Å
286S88.4Confident92.5Very high23 Ų2339.1 Ų39.116%0.16122%0.215CC..Hα-helixtrans-71-33.6178.967.50000114.1T282 Q283 R612T282-S286 PolarHBondContact O-N 2.98Å; Q283-S286 WeakPolarHBondContact CA-OG 3.29Å; Q283-S286 PolarHBondContact NE2-OG 2.8Å; Q283-S286 PolarHBondContact O-N 3.41Å; Q283-S286 PolarHBondContact O-OG 2.88Å; S286-R612 VanDerWaalsContact CA-NE 3.33Å
287D90.6Very high92.8Very high82 Ų8235 Ų3544%0.43920%0.196SC..Hα-helixtrans-97.9-5.6-175.1-57.2-7.8000111.6Q283 M289Q283-D287 WeakPolarHBondContact CG-OD2 3.35Å; Q283-D287 PolarHBondContact NE2-OD1 3.35Å; Q283-D287 PolarHBondContact NE2-OD2 2.82Å; Q283-D287 WeakPolarHBondContact O-CB 3.47Å; Q283-D287 VanDerWaalsContact O-CG 3.3Å; Q283-D287 PolarHBondContact O-N 3.2Å; D287-M289 PolarHBondContact O-N 3.12Å
288A94.4Very high93.2Very high5 Ų528.6 Ų28.64%0.04117%0.168CC..  trans-58.3131174.600000110.4A284 V320 Y431 P611A284-A288 WeakPolarHBondContact O-CB 3.38Å; A284-A288 PolarHBondContact O-N 2.99Å; A284-A288 VanDerWaalsContact O-N 3.13Å; A288-V320 HydrophobicContact CB-CG2 3.91Å; A288-Y431 HydrophobicContact CB-CE2 3.7Å; A288-P611 HydrophobicContact CB-CG 3.81Å; A288-P611 VanDerWaalsContact O-CD 3.27Å; A288-P611 WeakPolarHBondContact O-CD 3.4Å
289M96.4Very high93.5Very high11 Ų1128.9 Ų28.95%0.05417%0.17CC..  trans-148.6158175.455.7173.4161.200111.4D287 Y314 C317 P319 V320 V608 Y609 Y610D287-M289 PolarHBondContact O-N 3.12Å; M289-Y314 HydrophobicContact CE-CD1 3.89Å; M289-Y314 HydrophobicContact CE-CE1 3.77Å; M289-Y314 HydrophobicContact SD-CE1 3.89Å; M289-C317 HydrophobicContact CE-CB 4.48Å; M289-C317 WeakPolarHBondContact CE-O 3.41Å; M289-P319 HydrophobicContact CE-CB 4.33Å; M289-P319 HydrophobicContact CG-CB 3.79Å; M289-P319 WeakPolarHBondContact O-CB 3.49Å; M289-P319 HydrophobicContact SD-CB 4.43Å; M289-V320 PolarHBondContact O-N 3.25Å; M289-V608 HydrophobicContact CB-CG1 3.88Å; M289-V608 HydrophobicContact CG-CG1 4.45Å; M289-V608 HydrophobicContact SD-CG1 3.98Å; M289-Y609 CarbonylContact C-O 3.52Å; M289-Y609 VanDerWaalsContact CA-O 3.25Å; M289-Y609 WeakPolarHBondContact CA-O 3.37Å; M289-Y610 HydrophobicContact CB-CD1 3.85Å; M289-Y610 HydrophobicContact CB-CE1 3.9Å; M289-Y610 HydrophobicContact SD-CE1 4.34Å
290L98.3Very high93.6Very high0 Ų032.8 Ų32.80%019%0.185CC..EExtended strand (participates in β ladder)trans-116.6130.8169.2-66.1178.1000109.4I292 V320 A321 I323 L430 I435 V608 Y609L290-I292 HydrophobicContact CB-CG1 4.39Å; L290-V320 HydrophobicContact CD2-CB 4.25Å; L290-A321 HydrophobicContact CD2-CB 3.81Å; L290-I323 HydrophobicContact CD1-CD1 4.28Å; L290-L430 HydrophobicContact CD1-CD2 3.69Å; L290-L430 HydrophobicContact CD2-CD2 3.86Å; L290-L430 HydrophobicContact CG-CD2 3.53Å; L290-I435 HydrophobicContact CD1-CD1 3.54Å; L290-V608 CarbonylContact O-C 3.55Å; L290-V608 WeakPolarHBondContact O-CA 3.33Å; L290-Y609 HydrophobicContact CD1-CD1 4.1Å; L290-Y609 PolarHBondContact N-O 3.34Å; L290-Y609 PolarHBondContact O-N 3.39Å
291V98.6Very high93.4Very high0 Ų033.9 Ų33.90%019%0.193CC..EExtended strand (participates in β ladder)trans-97.2116.3173.3-179.30000108.1L293 L310 Y314 P319 A321 F322 I323 F606V291-L293 HydrophobicContact CG1-CD1 3.79Å; V291-L310 HydrophobicContact CG1-CD2 4.49Å; V291-Y314 HydrophobicContact CG1-CE2 4.37Å; V291-Y314 HydrophobicContact CG2-CD2 4.43Å; V291-Y314 HydrophobicContact CG2-CE1 4.05Å; V291-Y314 HydrophobicContact CG2-CE2 3.94Å; V291-P319 HydrophobicContact CB-CG 4.48Å; V291-P319 HydrophobicContact CG2-CB 3.81Å; V291-P319 HydrophobicContact CG2-CG 3.79Å; V291-A321 PolarHBondContact N-O 2.9Å; V291-F322 HydrophobicContact CB-CD1 3.57Å; V291-F322 HydrophobicContact CB-CE1 3.78Å; V291-F322 HydrophobicContact CB-CG 4.41Å; V291-F322 HydrophobicContact CG1-CD1 3.67Å; V291-F322 HydrophobicContact CG1-CE1 3.8Å; V291-F322 HydrophobicContact CG2-CD1 4.21Å; V291-F322 HydrophobicContact CG2-CE1 3.92Å; V291-F322 WeakPolarHBondContact O-CA 3.38Å; V291-I323 PolarHBondContact O-N 3.26Å; V291-F606 HydrophobicContact CG1-CD2 3.7Å; V291-F606 HydrophobicContact CG1-CE2 4.01Å; V291-F606 HydrophobicContact CG1-CG 4.49Å
292I98.7Very high93.5Very high0 Ų032.4 Ų32.40%018%0.18CC..EExtended strand (participates in β ladder)trans-112109.7-170.2-57155.2000108.9L290 I323 I557 I583 P585 K607L290-I292 HydrophobicContact CB-CG1 4.39Å; I292-I323 HydrophobicContact CG1-CD1 3.99Å; I292-I557 HydrophobicContact CD1-CD1 3.6Å; I292-I557 HydrophobicContact CG1-CD1 4Å; I292-I557 HydrophobicContact CG2-CD1 4.08Å; I292-I557 HydrophobicContact CG2-CG2 3.88Å; I292-I583 HydrophobicContact CD1-CD1 4.17Å; I292-P585 HydrophobicContact CG2-CB 4.16Å; I292-P585 HydrophobicContact CG2-CG 3.97Å; I292-K607 HydrophobicContact CB-CB 4.44Å; I292-K607 WeakPolarHBondContact CB-O 3.31Å; I292-K607 PolarHBondContact N-O 3.24Å; I292-K607 PolarHBondContact O-N 2.94Å
293L98.4Very high93.9Very high0 Ų030.1 Ų30.10%017%0.167CC..EExtended strand (participates in β ladder)trans-98.4135.2172.3-68.976.9000108.5V291 L307 L310 I323 L324 F588 F606V291-L293 HydrophobicContact CG1-CD1 3.79Å; L293-L307 HydrophobicContact CD2-CD2 3.48Å; L293-L307 VanDerWaalsContact CD2-CD2 3.48Å; L293-L310 HydrophobicContact CD1-CD2 3.95Å; L293-L310 HydrophobicContact CD2-CD2 3.89Å; L293-L310 HydrophobicContact CG-CD2 4.37Å; L293-I323 WeakPolarHBondContact CB-O 3.23Å; L293-I323 PolarHBondContact N-O 3.05Å; L293-L324 HydrophobicContact CB-CG 4.25Å; L293-L324 HydrophobicContact CD1-CD1 4.01Å; L293-L324 HydrophobicContact CD2-CD1 4.32Å; L293-L324 HydrophobicContact CD2-CG 4.09Å; L293-F588 HydrophobicContact CD2-CD1 4.1Å; L293-F588 HydrophobicContact CD2-CD2 3.74Å; L293-F588 HydrophobicContact CD2-CE1 4.21Å; L293-F588 HydrophobicContact CD2-CE2 3.88Å; L293-F588 HydrophobicContact CD2-CG 3.86Å; L293-F588 HydrophobicContact CD2-CZ 4.11Å; L293-F588 HydrophobicContact CG-CD2 4.11Å; L293-F588 HydrophobicContact CG-CE2 4.46Å; L293-F588 HydrophobicContact CG-CG 4.47Å; L293-F606 HydrophobicContact CG-CB 4.17Å
294G96.4Very high94.5Very high0 Ų025 Ų250%014%0.144CC..EExtended strand (participates in β ladder)trans-73.3-142.4173.600000112.3T296 S325 G586G294-T296 PolarHBondContact O-N 2.81Å; G294-T296 PolarHBondContact O-OG1 2.88Å; G294-S325 PolarHBondContact O-N 3.24Å; G294-S325 PolarHBondContact O-OG 3.18Å; G294-G586 CarbonylContact C-O 3.55Å; G294-G586 VanDerWaalsContact CA-O 3.24Å; G294-G586 WeakPolarHBondContact CA-O 3.24Å
295E97.5Very high95Very high5 Ų526.8 Ų26.82%0.02314%0.144CC..EExtended strand (participates in β ladder)trans-61122.7175.6175.8161.983.900110.3S325 N327 R439 P561 G586 R587 F588E295-S325 WeakPolarHBondContact CA-O 3.43Å; E295-N327 PolarHBondContact OE2-N 3.4Å; E295-N327 PolarHBondContact OE2-ND2 2.82Å; E295-R439 IonicContact OE2-CZ 2.83Å; E295-R439 IonicContact OE2-NE 2.71Å; E295-R439 IonicContact OE2-NH2 3.81Å; E295-R439 PolarHBondContact OE2-NH2 3.1Å; E295-P561 HydrophobicContact CB-CB 3.84Å; E295-P561 HydrophobicContact CB-CG 4.45Å; E295-P561 HydrophobicContact CG-CB 4.32Å; E295-P561 WeakPolarHBondContact OE1-CB 3.45Å; E295-P561 WeakPolarHBondContact OE1-CG 3.45Å; E295-G586 PolarHBondContact N-O 3.33Å; E295-R587 IonicContact OE1-CZ 3.72Å; E295-R587 VanDerWaalsContact OE1-CZ 3.3Å; E295-R587 IonicContact OE1-NE 3.67Å; E295-R587 IonicContact OE1-NH2 2.92Å; E295-R587 PolarHBondContact OE1-NH2 2.81Å; E295-F588 PolarHBondContact O-N 2.88Å
296T98Very high95.5Very high0 Ų029 Ų290%015%0.154CC..  trans-122.193.2-174.3-540000110.5G294 L298 T303 L307 L324 S325 N327 F328 F588G294-T296 PolarHBondContact O-N 2.81Å; G294-T296 PolarHBondContact O-OG1 2.88Å; T296-L298 HydrophobicContact CG2-CD2 4.02Å; T296-L298 PolarHBondContact O-N 2.77Å; T296-T303 HydrophobicContact CG2-CG2 4.07Å; T296-L307 HydrophobicContact CG2-CD1 4.1Å; T296-L324 HydrophobicContact CG2-CD2 4.24Å; T296-S325 PolarHBondContact N-O 2.95Å; T296-N327 CarbonylContact C-O 3.59Å; T296-F328 WeakPolarHBondContact O-CA 3.4Å; T296-F588 HydrophobicContact CG2-CD1 4.21Å
297N97.3Very high96Very high5 Ų527.9 Ų27.93%0.02715%0.146CC..  trans-81.3106.4176.4-59.1139.4000111D299 R300 T303 N327 F328 L329 R587N297-D299 VanDerWaalsContact C-N 3.29Å; N297-D299 PolarHBondContact O-N 2.72Å; N297-R300 HydrophobicContact CB-CB 4.48Å; N297-R300 HydrophobicContact CB-CG 3.62Å; N297-R300 PolarHBondContact O-N 2.99Å; N297-T303 VanDerWaalsContact O-CB 3.31Å; N297-T303 WeakPolarHBondContact O-CB 3.13Å; N297-T303 VanDerWaalsContact O-CG2 3.3Å; N297-T303 WeakPolarHBondContact O-CG2 3.43Å; N297-T303 PolarHBondContact O-OG1 3.16Å; N297-N327 PolarHBondContact ND2-O 3.26Å; N297-F328 CarbonylContact C-O 3.6Å; N297-L329 PolarHBondContact ND2-O 2.85Å; N297-R587 PolarHBondContact OD1-NH1 2.88Å
298L97.9Very high96.3Very high3 Ų326.3 Ų26.32%0.01614%0.14CC..THydrogen-bonded Turntrans-73.9-17.8-176.4-58.7176.5000113.7T296 T303 L304 L307 F328 L348 L349 L352T296-L298 HydrophobicContact CG2-CD2 4.02Å; T296-L298 PolarHBondContact O-N 2.77Å; L298-T303 HydrophobicContact CD2-CG2 4.4Å; L298-L304 HydrophobicContact CD2-CD2 4.14Å; L298-L307 HydrophobicContact CD2-CD1 3.64Å; L298-F328 HydrophobicContact CD1-CB 4.25Å; L298-F328 HydrophobicContact CD1-CD1 3.92Å; L298-F328 HydrophobicContact CD1-CG 4.41Å; L298-F328 HydrophobicContact CG-CB 4.43Å; L298-F328 HydrophobicContact CG-CD1 4.07Å; L298-F328 PolarHBondContact N-O 2.79Å; L298-L348 HydrophobicContact CB-CB 3.95Å; L298-L348 HydrophobicContact CB-CD1 4.11Å; L298-L348 HydrophobicContact CB-CG 4.47Å; L298-L348 HydrophobicContact CD1-CB 4.22Å; L298-L349 HydrophobicContact CD1-CD2 3.82Å; L298-L349 HydrophobicContact CD1-CG 4.37Å; L298-L352 HydrophobicContact CD1-CD2 4.2Å; L298-L352 HydrophobicContact CD2-CD2 4.31Å
299D95.4Very high96.4Very high48 Ų4829.4 Ų29.426%0.25716%0.158SC..THydrogen-bonded Turntrans-89.3-10.518065.6-28.8000113.7N297 L329 S330 L348N297-D299 VanDerWaalsContact C-N 3.29Å; N297-D299 PolarHBondContact O-N 2.72Å; D299-L329 HydrophobicContact CB-CD2 4.24Å; D299-S330 VanDerWaalsContact CG-N 3.26Å; D299-S330 WeakPolarHBondContact OD1-CB 3.49Å; D299-S330 PolarHBondContact OD1-N 3.22Å; D299-S330 PolarHBondContact OD2-N 2.96Å; D299-S330 PolarHBondContact OD2-OG 3.05Å; D299-L348 HydrophobicContact CB-CD1 3.66Å
300R93.7Very high96.5Very high83 Ų8329 Ų2931%0.31316%0.156SC..SBendtrans-66.7146.5170.1-68.1-75.690.5170.62.5109.4N297 T303 S330 D332N297-R300 HydrophobicContact CB-CB 4.48Å; N297-R300 HydrophobicContact CB-CG 3.62Å; N297-R300 PolarHBondContact O-N 2.99Å; R300-T303 WeakPolarHBondContact CB-OG1 3.44Å; R300-S330 PolarHBondContact NH2-OG 2.61Å; R300-D332 IonicContact CZ-OD2 2.85Å; R300-D332 IonicContact NH2-OD1 3.25Å; R300-D332 PolarHBondContact NH2-OD1 3.35Å; R300-D332 IonicContact NH2-OD2 2.72Å; R300-D332 PolarHBondContact NH2-OD2 3.36Å
301P86.9Confident96.5Very high87 Ų8729 Ų2957%0.56516%0.156SC*.THydrogen-bonded Turntrans-58.1147.7171.627.1-34.2000110.1T303 K602P301-T303 PolarHBondContact O-N 2.8Å; P301-K602 PolarHBondContact O-NZ 2.89Å
302D91.1Very high96.3Very high82 Ų8231.9 Ų31.944%0.43918%0.176SC..THydrogen-bonded Turntrans65-12.4179.4-23.8-54.9000116.6L304 D305 Q306D302-L304 VanDerWaalsContact C-N 3.31Å; D302-L304 PolarHBondContact O-N 3.49Å; D302-D305 PolarHBondContact O-N 3.22Å; D302-Q306 HydrophobicContact CB-CG 4.31Å; D302-Q306 WeakPolarHBondContact O-CB 3.47Å; D302-Q306 WeakPolarHBondContact O-CG 3.46Å; D302-Q306 PolarHBondContact O-N 3.1Å
303T95.7Very high96.1Very high2 Ų234.6 Ų34.61%0.01220%0.204CC..Hα-helixtrans-56.7-44.2-176.4-59.10000112.4T296 N297 L298 R300 P301 Q306 L307 F588T296-T303 HydrophobicContact CG2-CG2 4.07Å; N297-T303 VanDerWaalsContact O-CB 3.31Å; N297-T303 WeakPolarHBondContact O-CB 3.13Å; N297-T303 VanDerWaalsContact O-CG2 3.3Å; N297-T303 WeakPolarHBondContact O-CG2 3.43Å; N297-T303 PolarHBondContact O-OG1 3.16Å; L298-T303 HydrophobicContact CD2-CG2 4.4Å; R300-T303 WeakPolarHBondContact CB-OG1 3.44Å; P301-T303 PolarHBondContact O-N 2.8Å; T303-Q306 PolarHBondContact O-N 3.1Å; T303-L307 HydrophobicContact CG2-CD1 4.03Å; T303-L307 HydrophobicContact CG2-CG 4.46Å; T303-L307 WeakPolarHBondContact O-CB 3.46Å; T303-L307 VanDerWaalsContact O-CG 3.25Å; T303-L307 WeakPolarHBondContact O-CG 3.24Å; T303-L307 PolarHBondContact O-N 2.87Å; T303-F588 HydrophobicContact CG2-CD1 4.31Å; T303-F588 HydrophobicContact CG2-CE1 4.45Å
304L97.5Very high95.9Very high25 Ų2536.3 Ų36.313%0.13121%0.211CC..Hα-helixtrans-68.3-36.2178.1-72.3173.2000112.3L298 D302 Q306 L307 T308 L348 Q351 L352 I355L298-L304 HydrophobicContact CD2-CD2 4.14Å; D302-L304 VanDerWaalsContact C-N 3.31Å; D302-L304 PolarHBondContact O-N 3.49Å; L304-Q306 VanDerWaalsContact C-N 3.33Å; L304-L307 HydrophobicContact CD2-CD1 4.49Å; L304-L307 PolarHBondContact O-N 2.87Å; L304-T308 PolarHBondContact O-N 2.9Å; L304-T308 PolarHBondContact O-OG1 3.22Å; L304-L348 HydrophobicContact CD1-CD2 4.1Å; L304-Q351 HydrophobicContact CD1-CB 4.01Å; L304-L352 HydrophobicContact CD2-CB 4.19Å; L304-I355 HydrophobicContact CB-CD1 3.99Å; L304-I355 HydrophobicContact CD2-CD1 4.03Å
305D96.6Very high95.7Very high101 Ų10139.1 Ų39.154%0.5423%0.231SC..Hα-helixtrans-66.8-39.5176.1-58.4-39.8000110.4D302 T308 T309D302-D305 PolarHBondContact O-N 3.22Å; D305-T308 CarbonylContact O-C 3.58Å; D305-T308 WeakPolarHBondContact O-CA 3.44Å; D305-T308 WeakPolarHBondContact O-CB 3.29Å; D305-T308 PolarHBondContact O-N 2.9Å; D305-T308 VanDerWaalsContact O-N 3.12Å; D305-T309 PolarHBondContact O-N 2.83Å; D305-T309 PolarHBondContact O-OG1 2.86Å
306Q97.5Very high95.2Very high46 Ų4645 Ų4522%0.21527%0.268CS..Hα-helixtrans-70.9-35.3177-65.2-68.6-18.700112.2D302 T303 L304 T308 T309 L310 F588 Y604 L621D302-Q306 HydrophobicContact CB-CG 4.31Å; D302-Q306 WeakPolarHBondContact O-CB 3.47Å; D302-Q306 WeakPolarHBondContact O-CG 3.46Å; D302-Q306 PolarHBondContact O-N 3.1Å; T303-Q306 PolarHBondContact O-N 3.1Å; L304-Q306 VanDerWaalsContact C-N 3.33Å; Q306-T308 VanDerWaalsContact C-N 3.29Å; Q306-T309 PolarHBondContact O-N 2.97Å; Q306-L310 WeakPolarHBondContact O-CB 3.24Å; Q306-L310 PolarHBondContact O-N 2.87Å; Q306-F588 HydrophobicContact CB-CE1 4.25Å; Q306-F588 HydrophobicContact CB-CZ 4.29Å; Q306-Y604 HydrophobicContact CB-CD1 3.89Å; Q306-Y604 HydrophobicContact CB-CD2 4.41Å; Q306-Y604 HydrophobicContact CB-CE1 3.95Å; Q306-Y604 HydrophobicContact CB-CE2 4.47Å; Q306-Y604 HydrophobicContact CB-CG 4.12Å; Q306-Y604 HydrophobicContact CG-CD1 4.02Å; Q306-Y604 HydrophobicContact CG-CD2 3.81Å; Q306-Y604 HydrophobicContact CG-CE1 3.78Å; Q306-Y604 HydrophobicContact CG-CE2 3.56Å; Q306-Y604 HydrophobicContact CG-CG 4.02Å; Q306-L621 HydrophobicContact CB-CD1 3.9Å; Q306-L621 VanDerWaalsContact O-CD1 3.26Å; Q306-L621 WeakPolarHBondContact O-CD1 3.38Å; Q306-L621 VanDerWaalsContact OE1-CD1 3.27Å
307L98.2Very high94.7Very high0 Ų048.3 Ų48.30%029%0.289CS..Hα-helixtrans-64.9-35.4168.4-71.2170000111.4L293 T296 L298 T303 L304 L310 F311 L324 L352 F588L293-L307 HydrophobicContact CD2-CD2 3.48Å; L293-L307 VanDerWaalsContact CD2-CD2 3.48Å; T296-L307 HydrophobicContact CG2-CD1 4.1Å; L298-L307 HydrophobicContact CD2-CD1 3.64Å; T303-L307 HydrophobicContact CG2-CD1 4.03Å; T303-L307 HydrophobicContact CG2-CG 4.46Å; T303-L307 WeakPolarHBondContact O-CB 3.46Å; T303-L307 VanDerWaalsContact O-CG 3.25Å; T303-L307 WeakPolarHBondContact O-CG 3.24Å; T303-L307 PolarHBondContact O-N 2.87Å; L304-L307 HydrophobicContact CD2-CD1 4.49Å; L304-L307 PolarHBondContact O-N 2.87Å; L307-L310 HydrophobicContact CD2-CD2 4.28Å; L307-L310 PolarHBondContact O-N 3.25Å; L307-F311 HydrophobicContact CB-CE2 4.29Å; L307-F311 HydrophobicContact CD2-CZ 4.36Å; L307-F311 WeakPolarHBondContact O-CB 3.46Å; L307-F311 VanDerWaalsContact O-CD2 3.25Å; L307-F311 WeakPolarHBondContact O-CD2 3.42Å; L307-F311 WeakPolarHBondContact O-CG 3.4Å; L307-F311 PolarHBondContact O-N 3.2Å; L307-L324 HydrophobicContact CD1-CD2 4.28Å; L307-L324 HydrophobicContact CD2-CD2 4.12Å; L307-L352 HydrophobicContact CB-CD1 4.5Å; L307-L352 HydrophobicContact CD1-CD1 3.75Å; L307-F588 HydrophobicContact CD2-CD1 4.48Å; L307-F588 HydrophobicContact CD2-CE1 3.87Å; L307-F588 HydrophobicContact CD2-CZ 4.22Å; L307-F588 HydrophobicContact CG-CE1 4.02Å
308T97.6Very high94.5Very high50 Ų5050.2 Ų50.231%0.30731%0.306SS..Hα-helixtrans-62.5-48.1172.7-53.70000110.7L304 D305 Q306 L310 F311 S312 I355L304-T308 PolarHBondContact O-N 2.9Å; L304-T308 PolarHBondContact O-OG1 3.22Å; D305-T308 CarbonylContact O-C 3.58Å; D305-T308 WeakPolarHBondContact O-CA 3.44Å; D305-T308 WeakPolarHBondContact O-CB 3.29Å; D305-T308 PolarHBondContact O-N 2.9Å; D305-T308 VanDerWaalsContact O-N 3.12Å; Q306-T308 VanDerWaalsContact C-N 3.29Å; T308-L310 VanDerWaalsContact C-N 3.35Å; T308-L310 PolarHBondContact O-N 2.76Å; T308-F311 PolarHBondContact O-N 3.2Å; T308-S312 VanDerWaalsContact O-CB 3.25Å; T308-S312 WeakPolarHBondContact O-CB 3.48Å; T308-S312 PolarHBondContact O-N 2.78Å; T308-I355 HydrophobicContact CG2-CG2 4.03Å; T308-I355 WeakPolarHBondContact OG1-CG2 3.28Å
309T97Very high94.4Very high69 Ų6950.2 Ų50.242%0.42331%0.306SS..Hα-helixtrans-59.3-45175.2-58.30000111.5D305 Q306 S312 G313D305-T309 PolarHBondContact O-N 2.83Å; D305-T309 PolarHBondContact O-OG1 2.86Å; Q306-T309 PolarHBondContact O-N 2.97Å; T309-S312 PolarHBondContact O-N 3.27Å; T309-G313 PolarHBondContact O-N 3.39Å
310L97.7Very high94.4Very high2 Ų249.4 Ų49.41%0.0130%0.303CS..Hα-helixtrans-58.8-53.6177.2-178.771.4000111.3V291 L293 Q306 L307 T308 S312 G313 Y314 F322 F606 L621V291-L310 HydrophobicContact CG1-CD2 4.49Å; L293-L310 HydrophobicContact CD1-CD2 3.95Å; L293-L310 HydrophobicContact CD2-CD2 3.89Å; L293-L310 HydrophobicContact CG-CD2 4.37Å; Q306-L310 WeakPolarHBondContact O-CB 3.24Å; Q306-L310 PolarHBondContact O-N 2.87Å; L307-L310 HydrophobicContact CD2-CD2 4.28Å; L307-L310 PolarHBondContact O-N 3.25Å; T308-L310 VanDerWaalsContact C-N 3.35Å; T308-L310 PolarHBondContact O-N 2.76Å; L310-S312 VanDerWaalsContact C-N 3.34Å; L310-S312 PolarHBondContact O-N 3.41Å; L310-G313 PolarHBondContact O-N 2.99Å; L310-Y314 HydrophobicContact CD1-CD2 3.99Å; L310-Y314 HydrophobicContact CD1-CE2 3.7Å; L310-Y314 HydrophobicContact CG-CD2 4.31Å; L310-Y314 HydrophobicContact CG-CE2 4.46Å; L310-Y314 WeakPolarHBondContact O-CD2 3.48Å; L310-Y314 PolarHBondContact O-N 2.91Å; L310-Y314 VanDerWaalsContact O-N 3.16Å; L310-F322 HydrophobicContact CD2-CD1 4.42Å; L310-F322 HydrophobicContact CD2-CE1 4.3Å; L310-F322 HydrophobicContact CG-CE1 4.32Å; L310-F606 HydrophobicContact CD1-CD1 4.04Å; L310-F606 HydrophobicContact CD1-CE1 3.53Å; L310-F606 HydrophobicContact CD1-CE2 4.04Å; L310-F606 HydrophobicContact CD1-CZ 3.52Å; L310-L621 HydrophobicContact CB-CD1 4.28Å; L310-L621 HydrophobicContact CB-CD2 4.04Å; L310-L621 HydrophobicContact CD1-CD2 3.77Å
311F97.8Very high94.6Very high0 Ų045.4 Ų45.40%029%0.288CS..Hα-helixtrans-64.5-39.3-178.5-62.6-25.2000112.1L307 T308 Y314 S315 F322 L352 I355 F356 N359 F360L307-F311 HydrophobicContact CB-CE2 4.29Å; L307-F311 HydrophobicContact CD2-CZ 4.36Å; L307-F311 WeakPolarHBondContact O-CB 3.46Å; L307-F311 VanDerWaalsContact O-CD2 3.25Å; L307-F311 WeakPolarHBondContact O-CD2 3.42Å; L307-F311 WeakPolarHBondContact O-CG 3.4Å; L307-F311 PolarHBondContact O-N 3.2Å; T308-F311 PolarHBondContact O-N 3.2Å; F311-Y314 CarbonylContact O-C 3.55Å; F311-Y314 PolarHBondContact O-N 3.39Å; F311-S315 PolarHBondContact O-N 2.89Å; F311-F322 HydrophobicContact CD1-CD1 4.07Å; F311-F322 HydrophobicContact CD1-CD2 4.4Å; F311-F322 AromaticContact CD1-CE1 3.8Å; F311-F322 HydrophobicContact CD1-CE1 3.8Å; F311-F322 HydrophobicContact CD1-CE2 4.12Å; F311-F322 HydrophobicContact CD1-CG 4.36Å; F311-F322 AromaticContact CD1-CZ 3.82Å; F311-F322 HydrophobicContact CD1-CZ 3.82Å; F311-F322 HydrophobicContact CE1-CB 4.45Å; F311-F322 AromaticContact CE1-CD1 3.76Å; F311-F322 HydrophobicContact CE1-CD1 3.76Å; F311-F322 HydrophobicContact CE1-CD2 4.24Å; F311-F322 AromaticContact CE1-CE1 3.99Å; F311-F322 HydrophobicContact CE1-CE1 3.99Å; F311-F322 HydrophobicContact CE1-CE2 4.42Å; F311-F322 AromaticContact CE1-CG 3.89Å; F311-F322 HydrophobicContact CE1-CG 3.89Å; F311-F322 HydrophobicContact CE1-CZ 4.31Å; F311-L352 HydrophobicContact CE2-CD1 3.85Å; F311-L352 HydrophobicContact CZ-CD1 4.1Å; F311-I355 HydrophobicContact CD2-CG2 3.94Å; F311-I355 HydrophobicContact CE2-CG2 4.42Å; F311-F356 HydrophobicContact CD1-CD2 4.47Å; F311-F356 HydrophobicContact CD2-CB 4.39Å; F311-F356 HydrophobicContact CD2-CD2 4.17Å; F311-F356 HydrophobicContact CE1-CD2 4.22Å; F311-F356 HydrophobicContact CE2-CB 4.13Å; F311-F356 AromaticContact CE2-CD2 3.91Å; F311-F356 HydrophobicContact CE2-CD2 3.91Å; F311-F356 HydrophobicContact CG-CD2 4.47Å; F311-F356 AromaticContact CZ-CD2 3.95Å; F311-F356 HydrophobicContact CZ-CD2 3.95Å; F311-N359 HydrophobicContact CB-CB 3.89Å; F311-F360 HydrophobicContact CB-CE2 3.78Å; F311-F360 HydrophobicContact CB-CZ 4.42Å; F311-F360 HydrophobicContact CD1-CE2 4.25Å; F311-F360 HydrophobicContact CG-CE2 4.12Å; F311-F360 WeakPolarHBondContact O-CZ 3.18Å
312S95.5Very high95.2Very high61 Ų6141.3 Ų41.343%0.42726%0.261SS..Hα-helixtrans-61.7-42.5174-179.80000111.7T308 T309 L310 Y314 S315 N359T308-S312 VanDerWaalsContact O-CB 3.25Å; T308-S312 WeakPolarHBondContact O-CB 3.48Å; T308-S312 PolarHBondContact O-N 2.78Å; T309-S312 PolarHBondContact O-N 3.27Å; L310-S312 VanDerWaalsContact C-N 3.34Å; L310-S312 PolarHBondContact O-N 3.41Å; S312-Y314 PolarHBondContact O-N 3.46Å; S312-S315 VanDerWaalsContact O-CB 3.23Å; S312-S315 WeakPolarHBondContact O-CB 3.26Å; S312-S315 PolarHBondContact O-N 2.74Å; S312-S315 PolarHBondContact O-OG 2.88Å; S312-N359 VanDerWaalsContact CA-OD1 3.23Å; S312-N359 WeakPolarHBondContact CA-OD1 3.41Å; S312-N359 WeakPolarHBondContact CB-OD1 3.26Å; S312-N359 PolarHBondContact N-OD1 2.63Å
313G94.5Very high95.6Very high57 Ų5737.4 Ų37.459%0.58824%0.24SC*.Hα-helixtrans-61-30.9176.100000113.7T309 L310T309-G313 PolarHBondContact O-N 3.39Å; L310-G313 PolarHBondContact O-N 2.99Å
314Y95Very high95.7Very high37 Ų3737.3 Ų37.315%0.14524%0.239CC..THydrogen-bonded Turntrans-94.63.5176-78.3-73.8000114.1M289 V291 L310 F311 S312 T316 C317 A318 F322 F606 V608M289-Y314 HydrophobicContact CE-CD1 3.89Å; M289-Y314 HydrophobicContact CE-CE1 3.77Å; M289-Y314 HydrophobicContact SD-CE1 3.89Å; V291-Y314 HydrophobicContact CG1-CE2 4.37Å; V291-Y314 HydrophobicContact CG2-CD2 4.43Å; V291-Y314 HydrophobicContact CG2-CE1 4.05Å; V291-Y314 HydrophobicContact CG2-CE2 3.94Å; L310-Y314 HydrophobicContact CD1-CD2 3.99Å; L310-Y314 HydrophobicContact CD1-CE2 3.7Å; L310-Y314 HydrophobicContact CG-CD2 4.31Å; L310-Y314 HydrophobicContact CG-CE2 4.46Å; L310-Y314 WeakPolarHBondContact O-CD2 3.48Å; L310-Y314 PolarHBondContact O-N 2.91Å; L310-Y314 VanDerWaalsContact O-N 3.16Å; F311-Y314 CarbonylContact O-C 3.55Å; F311-Y314 PolarHBondContact O-N 3.39Å; S312-Y314 PolarHBondContact O-N 3.46Å; Y314-T316 PolarHBondContact O-N 2.77Å; Y314-C317 WeakPolarHBondContact CD1-O 3.24Å; Y314-C317 CarbonylContact O-C 3.55Å; Y314-C317 VanDerWaalsContact O-C 3.22Å; Y314-C317 PolarHBondContact O-N 3.49Å; Y314-A318 WeakPolarHBondContact O-CA 3.35Å; Y314-A318 PolarHBondContact O-N 3.05Å; Y314-F322 AromaticContact CD2-CE1 3.94Å; Y314-F322 HydrophobicContact CD2-CE1 3.94Å; Y314-F322 HydrophobicContact CD2-CZ 4.06Å; Y314-F322 HydrophobicContact CG-CE1 4.36Å; Y314-F322 HydrophobicContact CG-CZ 4.05Å; Y314-F606 HydrophobicContact CE2-CE2 4.09Å; Y314-F606 HydrophobicContact CE2-CZ 4.17Å; Y314-F606 WeakPolarHBondContact OH-CE2 3.38Å; Y314-V608 WeakPolarHBondContact OH-CG2 3.4Å
315S90.3Very high95.7Very high59 Ų5936.1 Ų36.141%0.41323%0.233SC..SBendtrans-61.3-31-178.262.80000113.3F311 S312F311-S315 PolarHBondContact O-N 2.89Å; S312-S315 VanDerWaalsContact O-CB 3.23Å; S312-S315 WeakPolarHBondContact O-CB 3.26Å; S312-S315 PolarHBondContact O-N 2.74Å; S312-S315 PolarHBondContact O-OG 2.88Å
316T87.4Confident95.7Very high129 Ų12931.3 Ų31.379%0.79121%0.208SC*.SBendtrans-89.1-21.2179.857.20000113.8Y314Y314-T316 PolarHBondContact O-N 2.77Å
317C88.9Confident95.6Very high68 Ų6829.8 Ų29.846%0.45920%0.201SC..SBendtrans-13971.4-178.4-171.20000108.9M289 Y314M289-C317 HydrophobicContact CE-CB 4.48Å; M289-C317 WeakPolarHBondContact CE-O 3.41Å; Y314-C317 WeakPolarHBondContact CD1-O 3.24Å; Y314-C317 CarbonylContact O-C 3.55Å; Y314-C317 VanDerWaalsContact O-C 3.22Å; Y314-C317 PolarHBondContact O-N 3.49Å
318A92.4Very high95.5Very high45 Ų4529.8 Ų29.837%0.37220%0.201SC..  trans-66.7132.7-172.300000111.6Y314 F360 P375Y314-A318 WeakPolarHBondContact O-CA 3.35Å; Y314-A318 PolarHBondContact O-N 3.05Å; A318-F360 HydrophobicContact CB-CD1 4.34Å; A318-F360 HydrophobicContact CB-CE1 3.91Å; A318-P375 HydrophobicContact CB-CG 4.24Å
319P95.8Very high95.5Very high4 Ų427.6 Ų27.63%0.02619%0.187CC..  trans-70.4170.4173.732.5-37.5000111.1M289 V291 A321 F322 P375M289-P319 HydrophobicContact CE-CB 4.33Å; M289-P319 HydrophobicContact CG-CB 3.79Å; M289-P319 WeakPolarHBondContact O-CB 3.49Å; M289-P319 HydrophobicContact SD-CB 4.43Å; V291-P319 HydrophobicContact CB-CG 4.48Å; V291-P319 HydrophobicContact CG2-CB 3.81Å; V291-P319 HydrophobicContact CG2-CG 3.79Å; P319-A321 VanDerWaalsContact C-N 3.31Å; P319-F322 HydrophobicContact CG-CD1 4.42Å; P319-F322 HydrophobicContact CG-CD2 3.83Å; P319-F322 HydrophobicContact CG-CE1 3.98Å; P319-F322 HydrophobicContact CG-CE2 3.35Å; P319-F322 HydrophobicContact CG-CG 4.35Å; P319-F322 HydrophobicContact CG-CZ 3.43Å; P319-F322 VanDerWaalsContact CG-CZ 3.43Å; P319-P375 HydrophobicContact CG-CB 4.34Å; P319-P375 VanDerWaalsContact O-CB 3.3Å; P319-P375 WeakPolarHBondContact O-CB 3.21Å
320V95.8Very high95.3Very high30 Ų3024.6 Ų24.618%0.18217%0.169CC..SBendtrans-65.8-40.2172.5-178.10000110.5V82 L83 A288 M289 L290 K376 L430V82-V320 HydrophobicContact CG2-CG1 4.37Å; L83-V320 HydrophobicContact CB-CG1 4.1Å; L83-V320 HydrophobicContact CD2-CG1 3.98Å; A288-V320 HydrophobicContact CB-CG2 3.91Å; M289-V320 PolarHBondContact O-N 3.25Å; L290-V320 HydrophobicContact CD2-CB 4.25Å; V320-K376 PolarHBondContact O-N 3.03Å; V320-L430 HydrophobicContact CB-CD1 4.43Å; V320-L430 HydrophobicContact CG1-CD1 3.87Å; V320-L430 HydrophobicContact CG2-CD1 4.37Å
321A98.1Very high94.9Very high0 Ų027.6 Ų27.60%020%0.195CC..EExtended strand (participates in β ladder)trans-156.3152.4174.400000113.2L83 L290 V291 P319 K376 I378L83-A321 HydrophobicContact CD2-CB 3.76Å; L290-A321 HydrophobicContact CD2-CB 3.81Å; V291-A321 PolarHBondContact N-O 2.9Å; P319-A321 VanDerWaalsContact C-N 3.31Å; A321-K376 CarbonylContact C-O 3.31Å; A321-K376 WeakPolarHBondContact CA-O 3.28Å; A321-K376 HydrophobicContact CB-CB 3.9Å; A321-K376 WeakPolarHBondContact CB-O 3.21Å; A321-I378 HydrophobicContact CB-CD1 4.03Å; A321-I378 HydrophobicContact CB-CG1 4.38Å
322F98.7Very high94.4Very high0 Ų032.7 Ų32.70%022%0.222CC..EExtended strand (participates in β ladder)trans-97.2129.5161.9-67-88.9000109.5V291 L310 F311 Y314 P319 L324 F356 F360 P375 K376 L377 I378V291-F322 HydrophobicContact CB-CD1 3.57Å; V291-F322 HydrophobicContact CB-CE1 3.78Å; V291-F322 HydrophobicContact CB-CG 4.41Å; V291-F322 HydrophobicContact CG1-CD1 3.67Å; V291-F322 HydrophobicContact CG1-CE1 3.8Å; V291-F322 HydrophobicContact CG2-CD1 4.21Å; V291-F322 HydrophobicContact CG2-CE1 3.92Å; V291-F322 WeakPolarHBondContact O-CA 3.38Å; L310-F322 HydrophobicContact CD2-CD1 4.42Å; L310-F322 HydrophobicContact CD2-CE1 4.3Å; L310-F322 HydrophobicContact CG-CE1 4.32Å; F311-F322 HydrophobicContact CD1-CD1 4.07Å; F311-F322 HydrophobicContact CD1-CD2 4.4Å; F311-F322 AromaticContact CD1-CE1 3.8Å; F311-F322 HydrophobicContact CD1-CE1 3.8Å; F311-F322 HydrophobicContact CD1-CE2 4.12Å; F311-F322 HydrophobicContact CD1-CG 4.36Å; F311-F322 AromaticContact CD1-CZ 3.82Å; F311-F322 HydrophobicContact CD1-CZ 3.82Å; F311-F322 HydrophobicContact CE1-CB 4.45Å; F311-F322 AromaticContact CE1-CD1 3.76Å; F311-F322 HydrophobicContact CE1-CD1 3.76Å; F311-F322 HydrophobicContact CE1-CD2 4.24Å; F311-F322 AromaticContact CE1-CE1 3.99Å; F311-F322 HydrophobicContact CE1-CE1 3.99Å; F311-F322 HydrophobicContact CE1-CE2 4.42Å; F311-F322 AromaticContact CE1-CG 3.89Å; F311-F322 HydrophobicContact CE1-CG 3.89Å; F311-F322 HydrophobicContact CE1-CZ 4.31Å; Y314-F322 AromaticContact CD2-CE1 3.94Å; Y314-F322 HydrophobicContact CD2-CE1 3.94Å; Y314-F322 HydrophobicContact CD2-CZ 4.06Å; Y314-F322 HydrophobicContact CG-CE1 4.36Å; Y314-F322 HydrophobicContact CG-CZ 4.05Å; P319-F322 HydrophobicContact CG-CD1 4.42Å; P319-F322 HydrophobicContact CG-CD2 3.83Å; P319-F322 HydrophobicContact CG-CE1 3.98Å; P319-F322 HydrophobicContact CG-CE2 3.35Å; P319-F322 HydrophobicContact CG-CG 4.35Å; P319-F322 HydrophobicContact CG-CZ 3.43Å; P319-F322 VanDerWaalsContact CG-CZ 3.43Å; F322-L324 HydrophobicContact CB-CD1 3.96Å; F322-F356 AromaticContact CD2-CE2 3.81Å; F322-F356 HydrophobicContact CD2-CE2 3.81Å; F322-F356 HydrophobicContact CE2-CE2 4.27Å; F322-F360 AromaticContact CE2-CE2 3.68Å; F322-F360 HydrophobicContact CE2-CE2 3.68Å; F322-F360 AromaticContact CE2-CZ 3.82Å; F322-F360 HydrophobicContact CE2-CZ 3.82Å; F322-F360 HydrophobicContact CZ-CE2 4.15Å; F322-F360 HydrophobicContact CZ-CZ 4.06Å; F322-P375 HydrophobicContact CD2-CB 3.96Å; F322-P375 HydrophobicContact CD2-CG 4.32Å; F322-P375 HydrophobicContact CE2-CB 3.9Å; F322-P375 HydrophobicContact CE2-CG 3.94Å; F322-K376 PolarHBondContact N-O 2.78Å; F322-L377 HydrophobicContact CB-CD1 4Å; F322-I378 PolarHBondContact O-N 3.24Å
323I98.8Very high94Very high0 Ų029.9 Ų29.90%020%0.202CC..EExtended strand (participates in β ladder)trans-108.8118.4174.8-64.1155.3000107.6L290 V291 I292 L293 I378 I380 L428 I437L290-I323 HydrophobicContact CD1-CD1 4.28Å; V291-I323 PolarHBondContact O-N 3.26Å; I292-I323 HydrophobicContact CG1-CD1 3.99Å; L293-I323 WeakPolarHBondContact CB-O 3.23Å; L293-I323 PolarHBondContact N-O 3.05Å; I323-I378 HydrophobicContact CG1-CB 4.24Å; I323-I378 HydrophobicContact CG1-CD1 4.1Å; I323-I380 HydrophobicContact CG2-CD1 3.85Å; I323-L428 HydrophobicContact CD1-CD1 3.73Å; I323-L428 HydrophobicContact CG1-CD1 4.33Å; I323-I437 HydrophobicContact CD1-CD1 3.73Å; I323-I437 HydrophobicContact CG1-CD1 4.26Å; I323-I437 HydrophobicContact CG2-CD1 3.96Å
324L98.7Very high93.3Very high0 Ų031.9 Ų31.90%020%0.198CC..EExtended strand (participates in β ladder)trans-117.6130.9173.5-77.767.8000108.7L293 T296 L307 F322 F328 L352 L377 I378 L379 I380L293-L324 HydrophobicContact CB-CG 4.25Å; L293-L324 HydrophobicContact CD1-CD1 4.01Å; L293-L324 HydrophobicContact CD2-CD1 4.32Å; L293-L324 HydrophobicContact CD2-CG 4.09Å; T296-L324 HydrophobicContact CG2-CD2 4.24Å; L307-L324 HydrophobicContact CD1-CD2 4.28Å; L307-L324 HydrophobicContact CD2-CD2 4.12Å; F322-L324 HydrophobicContact CB-CD1 3.96Å; L324-F328 HydrophobicContact CB-CE1 4.14Å; L324-L352 HydrophobicContact CD2-CD1 4.32Å; L324-L352 HydrophobicContact CD2-CD2 3.99Å; L324-L377 HydrophobicContact CD1-CD1 3.79Å; L324-I378 PolarHBondContact N-O 3.18Å; L324-L379 HydrophobicContact CB-CD2 3.87Å; L324-L379 HydrophobicContact CD2-CD2 4.44Å; L324-L379 WeakPolarHBondContact O-CA 3.38Å; L324-I380 PolarHBondContact O-N 2.97Å
325S98.2Very high92.8Very high0 Ų034.1 Ų34.10%023%0.232CC..EExtended strand (participates in β ladder)trans-116.3147177.378.30000112.1G294 E295 T296 I380 I559G294-S325 PolarHBondContact O-N 3.24Å; G294-S325 PolarHBondContact O-OG 3.18Å; E295-S325 WeakPolarHBondContact CA-O 3.43Å; T296-S325 PolarHBondContact N-O 2.95Å; S325-I380 CarbonylContact C-O 3.5Å; S325-I380 VanDerWaalsContact CA-O 3.31Å; S325-I380 WeakPolarHBondContact CA-O 3.32Å; S325-I559 VanDerWaalsContact CB-CD1 3.46Å; S325-I559 VanDerWaalsContact OG-CD1 3.24Å; S325-I559 WeakPolarHBondContact OG-CD1 3.4Å; S325-I559 WeakPolarHBondContact OG-CG2 3.28Å
326G95.1Very high92.8Very high0 Ų035.4 Ų35.40%023%0.231CC..SBendtrans-72179.4174.900000113.4I380 D385 R439G326-I380 PolarHBondContact N-O 3.48Å; G326-D385 WeakPolarHBondContact CA-OD2 3.14Å; G326-R439 WeakPolarHBondContact O-CD 3.49Å; G326-R439 WeakPolarHBondContact O-CG 3.46Å; G326-R439 PolarHBondContact O-NE 3.43Å
327N95.7Very high93Very high15 Ų1532.8 Ų32.88%0.0821%0.214CC..  cis-68.7132.77.2-59.4-46.3000111.7E295 T296 N297 L329 G382 P383 E384 D385E295-N327 PolarHBondContact OE2-N 3.4Å; E295-N327 PolarHBondContact OE2-ND2 2.82Å; T296-N327 CarbonylContact C-O 3.59Å; N297-N327 PolarHBondContact ND2-O 3.26Å; N327-L329 VanDerWaalsContact C-N 3.31Å; N327-L329 WeakPolarHBondContact CB-O 3.35Å; N327-G382 VanDerWaalsContact OD1-CA 3.28Å; N327-G382 WeakPolarHBondContact OD1-CA 3.35Å; N327-P383 VanDerWaalsContact OD1-CD 3.27Å; N327-P383 WeakPolarHBondContact OD1-CD 3.28Å; N327-E384 WeakPolarHBondContact OD1-CA 3.4Å; N327-E384 WeakPolarHBondContact OD1-CB 3.47Å; N327-E384 PolarHBondContact OD1-N 2.84Å; N327-D385 WeakPolarHBondContact CA-OD2 3.43Å
328F97.7Very high93Very high0 Ų033.5 Ų33.50%022%0.219CC..  trans-80.2-18.2179.8-68.9-70.3000112.8T296 N297 L298 L324 L345 L379 I380 D385 L399T296-F328 WeakPolarHBondContact O-CA 3.4Å; N297-F328 CarbonylContact C-O 3.6Å; L298-F328 HydrophobicContact CD1-CB 4.25Å; L298-F328 HydrophobicContact CD1-CD1 3.92Å; L298-F328 HydrophobicContact CD1-CG 4.41Å; L298-F328 HydrophobicContact CG-CB 4.43Å; L298-F328 HydrophobicContact CG-CD1 4.07Å; L298-F328 PolarHBondContact N-O 2.79Å; L324-F328 HydrophobicContact CB-CE1 4.14Å; F328-L345 HydrophobicContact CB-CD1 3.45Å; F328-L345 VanDerWaalsContact CB-CD1 3.45Å; F328-L345 HydrophobicContact CG-CD1 4.31Å; F328-L379 HydrophobicContact CE1-CD2 4.43Å; F328-L379 HydrophobicContact CZ-CB 4.14Å; F328-L379 HydrophobicContact CZ-CD2 4.26Å; F328-I380 WeakPolarHBondContact CE2-O 3.45Å; F328-D385 VanDerWaalsContact CD2-OD2 3.29Å; F328-D385 WeakPolarHBondContact CD2-OD2 3.41Å; F328-D385 PolarHBondContact N-OD1 3.31Å; F328-D385 PolarHBondContact N-OD2 3.4Å; F328-L399 HydrophobicContact CD2-CD1 4.05Å; F328-L399 HydrophobicContact CD2-CD2 4.46Å; F328-L399 HydrophobicContact CE2-CD1 3.7Å; F328-L399 HydrophobicContact CE2-CG 4.46Å; F328-L399 HydrophobicContact CZ-CD1 4.46Å
329L96.5Very high92.9Very high3 Ų336.5 Ų36.52%0.01623%0.233CC..SBendtrans-109.8143.9169.9-58178.6000110.2N297 D299 N327 S333 R341 I344 L345 L348N297-L329 PolarHBondContact ND2-O 2.85Å; D299-L329 HydrophobicContact CB-CD2 4.24Å; N327-L329 VanDerWaalsContact C-N 3.31Å; N327-L329 WeakPolarHBondContact CB-O 3.35Å; L329-S333 WeakPolarHBondContact CB-OG 3.2Å; L329-R341 HydrophobicContact CD1-CB 3.89Å; L329-R341 HydrophobicContact CD1-CG 4.42Å; L329-R341 WeakPolarHBondContact CD1-O 3.43Å; L329-I344 HydrophobicContact CD2-CG2 3.83Å; L329-L345 HydrophobicContact CD1-CB 4.18Å; L329-L345 HydrophobicContact CD2-CB 4.31Å; L329-L345 HydrophobicContact CD2-CD1 4.36Å; L329-L345 HydrophobicContact CG-CB 4.32Å; L329-L345 HydrophobicContact CG-CD1 4.35Å; L329-L348 HydrophobicContact CD2-CD1 3.75Å
330S93.6Very high92.8Very high6 Ų640.9 Ų40.94%0.04225%0.253CS..  trans-74.4174.7176.388.20000112.3D299 R300 D332 S333D299-S330 VanDerWaalsContact CG-N 3.26Å; D299-S330 WeakPolarHBondContact OD1-CB 3.49Å; D299-S330 PolarHBondContact OD1-N 3.22Å; D299-S330 PolarHBondContact OD2-N 2.96Å; D299-S330 PolarHBondContact OD2-OG 3.05Å; R300-S330 PolarHBondContact NH2-OG 2.61Å; S330-D332 PolarHBondContact O-N 3.5Å; S330-D332 PolarHBondContact OG-N 3.13Å; S330-S333 WeakPolarHBondContact O-CB 3.48Å; S330-S333 PolarHBondContact O-N 3.05Å; S330-S333 VanDerWaalsContact O-N 3.11Å; S330-S333 PolarHBondContact O-OG 3.39Å
331A88.6Confident92.7Very high66 Ų6640 Ų4055%0.54525%0.247SC..G310 helixtrans-58.8-24175.900000113.7S333 I334A331-S333 PolarHBondContact O-N 3.44Å; A331-S333 VanDerWaalsContact O-N 3.1Å; A331-I334 HydrophobicContact CB-CD1 3.8Å; A331-I334 VanDerWaalsContact O-CB 3.24Å; A331-I334 WeakPolarHBondContact O-CB 3.33Å; A331-I334 WeakPolarHBondContact O-CD1 3.47Å; A331-I334 WeakPolarHBondContact O-CG1 3.48Å; A331-I334 PolarHBondContact O-N 3.07Å
332D87.6Confident92.5Very high106 Ų10641.5 Ų41.557%0.56725%0.252SS*.G310 helixtrans-67.2-13.4178.2-58.412.9000112.3R300 S330 K336R300-D332 IonicContact CZ-OD2 2.85Å; R300-D332 IonicContact NH2-OD1 3.25Å; R300-D332 PolarHBondContact NH2-OD1 3.35Å; R300-D332 IonicContact NH2-OD2 2.72Å; R300-D332 PolarHBondContact NH2-OD2 3.36Å; S330-D332 PolarHBondContact O-N 3.5Å; S330-D332 PolarHBondContact OG-N 3.13Å; D332-K336 PolarHBondContact O-NZ 3.4Å; D332-K336 VanDerWaalsContact O-NZ 3.1Å
333S86Confident92.3Very high2 Ų247.5 Ų47.51%0.01428%0.284CS..G310 helixtrans-84.1-12.1172.576.50000113.7L329 S330 A331 G335 K336 R341L329-S333 WeakPolarHBondContact CB-OG 3.2Å; S330-S333 WeakPolarHBondContact O-CB 3.48Å; S330-S333 PolarHBondContact O-N 3.05Å; S330-S333 VanDerWaalsContact O-N 3.11Å; S330-S333 PolarHBondContact O-OG 3.39Å; A331-S333 PolarHBondContact O-N 3.44Å; A331-S333 VanDerWaalsContact O-N 3.1Å; S333-G335 VanDerWaalsContact C-N 3.31Å; S333-G335 PolarHBondContact O-N 2.97Å; S333-K336 WeakPolarHBondContact O-CB 3.21Å; S333-K336 PolarHBondContact O-N 2.76Å; S333-R341 WeakPolarHBondContact O-CD 3.44Å; S333-R341 WeakPolarHBondContact O-CG 3.27Å; S333-R341 PolarHBondContact O-NE 2.95Å; S333-R341 PolarHBondContact OG-NE 2.81Å; S333-R341 VanDerWaalsContact OG-NE 3.15Å; S333-R341 PolarHBondContact OG-NH2 2.91Å
334I80.6Confident92.1Very high99 Ų9949.5 Ų49.551%0.50829%0.294SS..THydrogen-bonded Turntrans-63.1-35.1-171.1-67.7168.6000112.2A331 K336A331-I334 HydrophobicContact CB-CD1 3.8Å; A331-I334 VanDerWaalsContact O-CB 3.24Å; A331-I334 WeakPolarHBondContact O-CB 3.33Å; A331-I334 WeakPolarHBondContact O-CD1 3.47Å; A331-I334 WeakPolarHBondContact O-CG1 3.48Å; A331-I334 PolarHBondContact O-N 3.07Å; I334-K336 PolarHBondContact O-N 2.94Å
335G85Confident92Very high84 Ų8449.5 Ų49.587%0.86629%0.294SS*.THydrogen-bonded Turntrans-73.1-5.3177.200000115S333S333-G335 VanDerWaalsContact C-N 3.31Å; S333-G335 PolarHBondContact O-N 2.97Å
336K90.2Very high91.9Very high87 Ų8753.1 Ų53.138%0.37831%0.308SS..SBendtrans-91.5151.3-178.8-60.4-176.2178.576.60111.1D332 S333 I334 E340 R341 I344D332-K336 PolarHBondContact O-NZ 3.4Å; D332-K336 VanDerWaalsContact O-NZ 3.1Å; S333-K336 WeakPolarHBondContact O-CB 3.21Å; S333-K336 PolarHBondContact O-N 2.76Å; I334-K336 PolarHBondContact O-N 2.94Å; K336-E340 WeakPolarHBondContact CA-OE2 3.4Å; K336-E340 HydrophobicContact CB-CB 4.09Å; K336-E340 WeakPolarHBondContact CB-OE2 3.4Å; K336-R341 HydrophobicContact CB-CG 3.76Å; K336-I344 HydrophobicContact CD-CD1 3.49Å; K336-I344 VanDerWaalsContact CD-CD1 3.49Å
337T90.6Very high91.9Very high73 Ų7359.3 Ų59.345%0.44833%0.331SS..  trans-64.6157.6175.7630000111.3T339 E340 R341T337-T339 PolarHBondContact O-N 2.8Å; T337-T339 PolarHBondContact OG1-OG1 3.18Å; T337-T339 VanDerWaalsContact OG1-OG1 3.05Å; T337-E340 PolarHBondContact N-OE2 3.05Å; T337-E340 PolarHBondContact O-N 2.96Å; T337-E340 WeakPolarHBondContact OG1-CG 3.42Å; T337-E340 PolarHBondContact OG1-N 3.24Å; T337-E340 PolarHBondContact OG1-OE2 2.92Å; T337-R341 WeakPolarHBondContact O-CG 3.28Å; T337-R341 PolarHBondContact O-N 3.31Å
338C89.2Confident92Very high83 Ų8358.9 Ų58.956%0.56133%0.329SS*.Hα-helixtrans-55.5-39.6179.4-173.90000112.1R341 R342C338-R341 PolarHBondContact O-N 3.37Å; C338-R342 WeakPolarHBondContact O-CB 3.48Å; C338-R342 PolarHBondContact O-N 2.9Å
339T90.7Very high91.9Very high108 Ų10858.9 Ų58.966%0.66333%0.329SS*.Hα-helixtrans-64.7-45.9178.345.40000112.3T337 R342 L343T337-T339 PolarHBondContact O-N 2.8Å; T337-T339 PolarHBondContact OG1-OG1 3.18Å; T337-T339 VanDerWaalsContact OG1-OG1 3.05Å; T339-R342 PolarHBondContact O-N 3Å; T339-L343 PolarHBondContact O-N 2.83Å
340E93.8Very high91.9Very high96 Ų9661.9 Ų61.945%0.44934%0.34SS..Hα-helixtrans-62.4-45.9176.2-72.9165.1163.400111.7K336 T337 R342 L343 I344K336-E340 WeakPolarHBondContact CA-OE2 3.4Å; K336-E340 HydrophobicContact CB-CB 4.09Å; K336-E340 WeakPolarHBondContact CB-OE2 3.4Å; T337-E340 PolarHBondContact N-OE2 3.05Å; T337-E340 PolarHBondContact O-N 2.96Å; T337-E340 WeakPolarHBondContact OG1-CG 3.42Å; T337-E340 PolarHBondContact OG1-N 3.24Å; T337-E340 PolarHBondContact OG1-OE2 2.92Å; E340-R342 VanDerWaalsContact C-N 3.29Å; E340-R342 PolarHBondContact O-N 2.74Å; E340-L343 WeakPolarHBondContact O-CB 3.35Å; E340-L343 PolarHBondContact O-N 3.32Å; E340-I344 WeakPolarHBondContact O-CG1 3.24Å; E340-I344 PolarHBondContact O-N 3.15Å
341R94.2Very high92Very high11 Ų1165.3 Ų65.34%0.04236%0.355CS..Hα-helixtrans-59.6-43.3176.9-66-179.577.3-144.3-4.2110.8L329 S333 K336 T337 C338 L343 I344 L345 E384 P386L329-R341 HydrophobicContact CD1-CB 3.89Å; L329-R341 HydrophobicContact CD1-CG 4.42Å; L329-R341 WeakPolarHBondContact CD1-O 3.43Å; S333-R341 WeakPolarHBondContact O-CD 3.44Å; S333-R341 WeakPolarHBondContact O-CG 3.27Å; S333-R341 PolarHBondContact O-NE 2.95Å; S333-R341 PolarHBondContact OG-NE 2.81Å; S333-R341 VanDerWaalsContact OG-NE 3.15Å; S333-R341 PolarHBondContact OG-NH2 2.91Å; K336-R341 HydrophobicContact CB-CG 3.76Å; T337-R341 WeakPolarHBondContact O-CG 3.28Å; T337-R341 PolarHBondContact O-N 3.31Å; C338-R341 PolarHBondContact O-N 3.37Å; R341-L343 VanDerWaalsContact C-N 3.34Å; R341-L343 PolarHBondContact O-N 3.3Å; R341-I344 PolarHBondContact O-N 3.32Å; R341-L345 VanDerWaalsContact O-CB 3.29Å; R341-L345 WeakPolarHBondContact O-CB 3.41Å; R341-L345 PolarHBondContact O-N 2.74Å; R341-E384 VanDerWaalsContact CZ-O 3.25Å; R341-E384 PolarHBondContact NH1-O 2.96Å; R341-E384 PolarHBondContact NH2-O 2.73Å; R341-P386 HydrophobicContact CB-CG 4.35Å
342R93.5Very high92.5Very high33 Ų3362.1 Ų62.113%0.12533%0.329CS..Hα-helixtrans-63.7-38.3177.9-156-178.8-179.897.81.8112.2C338 T339 E340 R346 P386 Y388 D402 L403C338-R342 WeakPolarHBondContact O-CB 3.48Å; C338-R342 PolarHBondContact O-N 2.9Å; T339-R342 PolarHBondContact O-N 3Å; E340-R342 VanDerWaalsContact C-N 3.29Å; E340-R342 PolarHBondContact O-N 2.74Å; R342-R346 VanDerWaalsContact O-CB 3.31Å; R342-R346 WeakPolarHBondContact O-CB 3.47Å; R342-R346 PolarHBondContact O-N 2.82Å; R342-P386 HydrophobicContact CB-CG 4.43Å; R342-P386 PolarHBondContact NH1-O 2.93Å; R342-Y388 VanDerWaalsContact CZ-CZ 3.48Å; R342-Y388 PolarHBondContact NH2-OH 3.34Å; R342-Y388 VanDerWaalsContact NH2-OH 3.13Å; R342-D402 IonicContact CZ-OD1 2.84Å; R342-D402 IonicContact CZ-OD2 3.49Å; R342-D402 VanDerWaalsContact CZ-OD2 3.25Å; R342-D402 IonicContact NE-OD2 3.64Å; R342-D402 PolarHBondContact NE-OD2 2.72Å; R342-D402 IonicContact NH2-OD1 3.4Å; R342-D402 PolarHBondContact NH2-OD1 3.13Å; R342-D402 IonicContact NH2-OD2 3.69Å; R342-D402 PolarHBondContact NH2-OD2 3.37Å; R342-L403 HydrophobicContact CG-CD2 3.5Å; R342-L403 VanDerWaalsContact CG-CD2 3.5Å; R342-L403 WeakPolarHBondContact O-CD2 3.39Å
343L93.7Very high92.8Very high125 Ų12557.8 Ų57.865%0.65431%0.306SS*.Hα-helixtrans-65.2-45.9175.4-177.267.1000112.2T339 E340 R341 R346 R347T339-L343 PolarHBondContact O-N 2.83Å; E340-L343 WeakPolarHBondContact O-CB 3.35Å; E340-L343 PolarHBondContact O-N 3.32Å; R341-L343 VanDerWaalsContact C-N 3.34Å; R341-L343 PolarHBondContact O-N 3.3Å; L343-R346 PolarHBondContact O-N 3.3Å; L343-R347 PolarHBondContact O-N 3.36Å; L343-R347 VanDerWaalsContact O-N 3.12Å
344I95.2Very high93.3Very high42 Ų4261.4 Ų61.422%0.21533%0.328CS..Hα-helixtrans-62.1-48176.8-64.9164.8000109.9L329 K336 E340 R341 R346 R347 L348L329-I344 HydrophobicContact CD2-CG2 3.83Å; K336-I344 HydrophobicContact CD-CD1 3.49Å; K336-I344 VanDerWaalsContact CD-CD1 3.49Å; E340-I344 WeakPolarHBondContact O-CG1 3.24Å; E340-I344 PolarHBondContact O-N 3.15Å; R341-I344 PolarHBondContact O-N 3.32Å; I344-R346 PolarHBondContact O-N 3.04Å; I344-R347 WeakPolarHBondContact O-CB 3.42Å; I344-R347 PolarHBondContact O-N 3.04Å; I344-L348 HydrophobicContact CG2-CD1 3.8Å; I344-L348 HydrophobicContact CG2-CG 4.44Å; I344-L348 WeakPolarHBondContact O-CG 3.42Å; I344-L348 PolarHBondContact O-N 2.92Å
345L96.1Very high94Very high0 Ų058 Ų580%031%0.31CS..Hα-helixtrans-60.6-43.6179.5-178.158.3000111.8F328 L329 R341 R347 L348 L349 P386 L399 L403F328-L345 HydrophobicContact CB-CD1 3.45Å; F328-L345 VanDerWaalsContact CB-CD1 3.45Å; F328-L345 HydrophobicContact CG-CD1 4.31Å; L329-L345 HydrophobicContact CD1-CB 4.18Å; L329-L345 HydrophobicContact CD2-CB 4.31Å; L329-L345 HydrophobicContact CD2-CD1 4.36Å; L329-L345 HydrophobicContact CG-CB 4.32Å; L329-L345 HydrophobicContact CG-CD1 4.35Å; R341-L345 VanDerWaalsContact O-CB 3.29Å; R341-L345 WeakPolarHBondContact O-CB 3.41Å; R341-L345 PolarHBondContact O-N 2.74Å; L345-R347 VanDerWaalsContact C-N 3.32Å; L345-R347 PolarHBondContact O-N 2.95Å; L345-L348 PolarHBondContact O-N 2.91Å; L345-L349 HydrophobicContact CD1-CD1 3.84Å; L345-L349 HydrophobicContact CD1-CD2 4.42Å; L345-L349 HydrophobicContact CD1-CG 3.81Å; L345-L349 HydrophobicContact CD2-CD1 4.35Å; L345-L349 HydrophobicContact CG-CD1 3.72Å; L345-L349 HydrophobicContact CG-CG 4.16Å; L345-L349 WeakPolarHBondContact O-CB 3.43Å; L345-L349 WeakPolarHBondContact O-CG 3.35Å; L345-L349 PolarHBondContact O-N 3.39Å; L345-P386 HydrophobicContact CD2-CG 3.86Å; L345-L399 HydrophobicContact CD2-CD2 4.19Å; L345-L403 HydrophobicContact CD2-CD1 3.98Å; L345-L403 HydrophobicContact CG-CD1 4.43Å
346R95.5Very high94.5Very high77 Ų7754 Ų5429%0.29127%0.269SS..Hα-helixtrans-55.3-46.7174.1174170178.4150.5-6.4111.6R342 L343 I344 L348 R350 D402 L403 S405R342-R346 VanDerWaalsContact O-CB 3.31Å; R342-R346 WeakPolarHBondContact O-CB 3.47Å; R342-R346 PolarHBondContact O-N 2.82Å; L343-R346 PolarHBondContact O-N 3.3Å; I344-R346 PolarHBondContact O-N 3.04Å; R346-L348 PolarHBondContact O-N 3.27Å; R346-R350 WeakPolarHBondContact O-CB 3.15Å; R346-R350 WeakPolarHBondContact O-CD 3.3Å; R346-R350 WeakPolarHBondContact O-CG 3.44Å; R346-R350 PolarHBondContact O-N 3.43Å; R346-R350 VanDerWaalsContact O-N 3.16Å; R346-D402 PolarHBondContact NH1-O 3.3Å; R346-L403 HydrophobicContact CB-CD2 3.94Å; R346-L403 WeakPolarHBondContact CG-O 3.35Å; R346-S405 PolarHBondContact NH2-O 3.13Å
347R96Very high94.7Very high130 Ų13054.4 Ų54.449%0.49127%0.271SS..Hα-helixtrans-60.3-46.3177.9-177.3178.661.778-2.7111.7L343 I344 L345 R350 Q351L343-R347 PolarHBondContact O-N 3.36Å; L343-R347 VanDerWaalsContact O-N 3.12Å; I344-R347 WeakPolarHBondContact O-CB 3.42Å; I344-R347 PolarHBondContact O-N 3.04Å; L345-R347 VanDerWaalsContact C-N 3.32Å; L345-R347 PolarHBondContact O-N 2.95Å; R347-R350 PolarHBondContact O-N 2.82Å; R347-Q351 WeakPolarHBondContact O-CG 3.28Å; R347-Q351 PolarHBondContact O-N 3.06Å; R347-Q351 VanDerWaalsContact O-N 3.15Å
348L97.4Very high94.9Very high6 Ų656.8 Ų56.83%0.03128%0.281CS..Hα-helixtrans-71.2-41.5-176.4-66.4170.1000112.8L298 D299 L304 L329 I344 L345 R346 R350 Q351 L352L298-L348 HydrophobicContact CB-CB 3.95Å; L298-L348 HydrophobicContact CB-CD1 4.11Å; L298-L348 HydrophobicContact CB-CG 4.47Å; L298-L348 HydrophobicContact CD1-CB 4.22Å; D299-L348 HydrophobicContact CB-CD1 3.66Å; L304-L348 HydrophobicContact CD1-CD2 4.1Å; L329-L348 HydrophobicContact CD2-CD1 3.75Å; I344-L348 HydrophobicContact CG2-CD1 3.8Å; I344-L348 HydrophobicContact CG2-CG 4.44Å; I344-L348 WeakPolarHBondContact O-CG 3.42Å; I344-L348 PolarHBondContact O-N 2.92Å; L345-L348 PolarHBondContact O-N 2.91Å; R346-L348 PolarHBondContact O-N 3.27Å; L348-R350 VanDerWaalsContact C-N 3.27Å; L348-R350 PolarHBondContact O-N 3.4Å; L348-Q351 WeakPolarHBondContact O-CB 3.33Å; L348-Q351 PolarHBondContact O-N 2.66Å; L348-L352 PolarHBondContact O-N 2.66Å
349L97Very high95.1Very high0 Ų054.5 Ų54.50%026%0.263CS..Hα-helixtrans-63.1-35.5175.7-73.9173.5000112L298 L345 L352 I353 L379 L399 L403L298-L349 HydrophobicContact CD1-CD2 3.82Å; L298-L349 HydrophobicContact CD1-CG 4.37Å; L345-L349 HydrophobicContact CD1-CD1 3.84Å; L345-L349 HydrophobicContact CD1-CD2 4.42Å; L345-L349 HydrophobicContact CD1-CG 3.81Å; L345-L349 HydrophobicContact CD2-CD1 4.35Å; L345-L349 HydrophobicContact CG-CD1 3.72Å; L345-L349 HydrophobicContact CG-CG 4.16Å; L345-L349 WeakPolarHBondContact O-CB 3.43Å; L345-L349 WeakPolarHBondContact O-CG 3.35Å; L345-L349 PolarHBondContact O-N 3.39Å; L349-L352 HydrophobicContact CD2-CD2 4.31Å; L349-L352 WeakPolarHBondContact O-CB 3.26Å; L349-L352 PolarHBondContact O-N 3.41Å; L349-I353 WeakPolarHBondContact O-CB 3.3Å; L349-I353 VanDerWaalsContact O-CG1 3.28Å; L349-I353 WeakPolarHBondContact O-CG1 3.39Å; L349-I353 PolarHBondContact O-N 3.11Å; L349-L379 HydrophobicContact CD2-CD1 3.9Å; L349-L399 HydrophobicContact CD1-CD1 3.91Å; L349-L399 HydrophobicContact CD2-CD1 4.34Å; L349-L403 HydrophobicContact CD1-CB 3.96Å; L349-L403 HydrophobicContact CD1-CD1 4.12Å
350R94.8Very high95.2Very high65 Ų6549.9 Ų49.925%0.24523%0.234CC..Hα-helixtrans-66.5-42.4173.7-73.3168.5169-141.8-13.1112.2R346 R347 L348 L352 I353 T354 S405 D406R346-R350 WeakPolarHBondContact O-CB 3.15Å; R346-R350 WeakPolarHBondContact O-CD 3.3Å; R346-R350 WeakPolarHBondContact O-CG 3.44Å; R346-R350 PolarHBondContact O-N 3.43Å; R346-R350 VanDerWaalsContact O-N 3.16Å; R347-R350 PolarHBondContact O-N 2.82Å; L348-R350 VanDerWaalsContact C-N 3.27Å; L348-R350 PolarHBondContact O-N 3.4Å; R350-L352 VanDerWaalsContact C-N 3.34Å; R350-I353 PolarHBondContact O-N 3.19Å; R350-T354 PolarHBondContact O-N 3.11Å; R350-T354 PolarHBondContact O-OG1 2.89Å; R350-T354 VanDerWaalsContact O-OG1 3.11Å; R350-S405 PolarHBondContact NH2-O 3.38Å; R350-D406 IonicContact CZ-OD1 3.83Å; R350-D406 IonicContact NH1-OD1 2.66Å; R350-D406 PolarHBondContact NH1-OD1 3.32Å; R350-D406 VanDerWaalsContact NH2-CA 3.33Å; R350-D406 IonicContact NH2-OD1 2.66Å; R350-D406 PolarHBondContact NH2-OD1 3.36Å
351Q96.9Very high94.8Very high78 Ų7849.4 Ų49.436%0.36424%0.239SC..Hα-helixtrans-59.9-46.3173.6-71.9176.7-11.300110.8L304 R347 L348 I353 T354 I355L304-Q351 HydrophobicContact CD1-CB 4.01Å; R347-Q351 WeakPolarHBondContact O-CG 3.28Å; R347-Q351 PolarHBondContact O-N 3.06Å; R347-Q351 VanDerWaalsContact O-N 3.15Å; L348-Q351 WeakPolarHBondContact O-CB 3.33Å; L348-Q351 PolarHBondContact O-N 2.66Å; Q351-I353 VanDerWaalsContact C-N 3.34Å; Q351-I353 PolarHBondContact O-N 3.1Å; Q351-T354 PolarHBondContact O-N 3.3Å; Q351-I355 WeakPolarHBondContact O-CD1 3.49Å; Q351-I355 VanDerWaalsContact O-CG1 3.24Å; Q351-I355 WeakPolarHBondContact O-CG1 3.49Å; Q351-I355 PolarHBondContact O-N 2.92Å
352L97.7Very high93.7Very high0 Ų052.5 Ų52.50%026%0.256CS..Hα-helixtrans-55.1-47.117417563.4000112.3L298 L304 L307 F311 L324 L348 L349 R350 I355 F356 L379L298-L352 HydrophobicContact CD1-CD2 4.2Å; L298-L352 HydrophobicContact CD2-CD2 4.31Å; L304-L352 HydrophobicContact CD2-CB 4.19Å; L307-L352 HydrophobicContact CB-CD1 4.5Å; L307-L352 HydrophobicContact CD1-CD1 3.75Å; F311-L352 HydrophobicContact CE2-CD1 3.85Å; F311-L352 HydrophobicContact CZ-CD1 4.1Å; L324-L352 HydrophobicContact CD2-CD1 4.32Å; L324-L352 HydrophobicContact CD2-CD2 3.99Å; L348-L352 PolarHBondContact O-N 2.66Å; L349-L352 HydrophobicContact CD2-CD2 4.31Å; L349-L352 WeakPolarHBondContact O-CB 3.26Å; L349-L352 PolarHBondContact O-N 3.41Å; R350-L352 VanDerWaalsContact C-N 3.34Å; L352-I355 PolarHBondContact O-N 2.89Å; L352-F356 WeakPolarHBondContact O-CB 3.29Å; L352-F356 PolarHBondContact O-N 2.88Å; L352-L379 HydrophobicContact CD2-CD2 4.27Å
353I95.2Very high92.1Very high15 Ų1555.4 Ų55.48%0.07728%0.281CS..Hα-helixtrans-64.3-41.3179.5-74.7169.6000111.6L349 R350 Q351 F356 K357 I404 W418 L419L349-I353 WeakPolarHBondContact O-CB 3.3Å; L349-I353 VanDerWaalsContact O-CG1 3.28Å; L349-I353 WeakPolarHBondContact O-CG1 3.39Å; L349-I353 PolarHBondContact O-N 3.11Å; R350-I353 PolarHBondContact O-N 3.19Å; Q351-I353 VanDerWaalsContact C-N 3.34Å; Q351-I353 PolarHBondContact O-N 3.1Å; I353-F356 PolarHBondContact O-N 2.72Å; I353-K357 HydrophobicContact CG2-CD 4.17Å; I353-K357 HydrophobicContact CG2-CG 4.42Å; I353-K357 WeakPolarHBondContact O-CB 3.48Å; I353-K357 WeakPolarHBondContact O-CG 3.47Å; I353-K357 PolarHBondContact O-N 3.31Å; I353-I404 HydrophobicContact CD1-CB 4.12Å; I353-I404 HydrophobicContact CD1-CD1 4.35Å; I353-I404 HydrophobicContact CD1-CG1 3.72Å; I353-I404 HydrophobicContact CD1-CG2 3.41Å; I353-I404 VanDerWaalsContact CD1-CG2 3.41Å; I353-W418 HydrophobicContact CG1-CH2 4.29Å; I353-W418 HydrophobicContact CG2-CH2 3.88Å; I353-W418 HydrophobicContact CG2-CZ2 4.43Å; I353-L419 HydrophobicContact CD1-CD2 3.87Å
354T95.2Very high90.1Very high78 Ų7858.4 Ų58.448%0.47929%0.292SS..Hα-helixtrans-61.3-46.6175-60.70000110.9R350 Q351 F356 K357 N358R350-T354 PolarHBondContact O-N 3.11Å; R350-T354 PolarHBondContact O-OG1 2.89Å; R350-T354 VanDerWaalsContact O-OG1 3.11Å; Q351-T354 PolarHBondContact O-N 3.3Å; T354-F356 VanDerWaalsContact C-N 3.31Å; T354-F356 PolarHBondContact O-N 3.01Å; T354-K357 PolarHBondContact O-N 2.98Å; T354-N358 WeakPolarHBondContact O-CB 3.43Å; T354-N358 PolarHBondContact O-N 3.36Å; T354-N358 PolarHBondContact O-ND2 3.1Å; T354-N358 PolarHBondContact O-OD1 3.25Å
355I96.8Very high87.6Confident26 Ų2661.6 Ų61.613%0.13332%0.319CS..Hα-helixtrans-59.3-44.9176.9-65.6162.4000110.4L304 T308 F311 Q351 L352 N358 N359L304-I355 HydrophobicContact CB-CD1 3.99Å; L304-I355 HydrophobicContact CD2-CD1 4.03Å; T308-I355 HydrophobicContact CG2-CG2 4.03Å; T308-I355 WeakPolarHBondContact OG1-CG2 3.28Å; F311-I355 HydrophobicContact CD2-CG2 3.94Å; F311-I355 HydrophobicContact CE2-CG2 4.42Å; Q351-I355 WeakPolarHBondContact O-CD1 3.49Å; Q351-I355 VanDerWaalsContact O-CG1 3.24Å; Q351-I355 WeakPolarHBondContact O-CG1 3.49Å; Q351-I355 PolarHBondContact O-N 2.92Å; L352-I355 PolarHBondContact O-N 2.89Å; I355-N358 PolarHBondContact O-N 3.36Å; I355-N359 PolarHBondContact O-N 3.38Å; I355-N359 PolarHBondContact O-ND2 3.17Å
356F95.8Very high84.9Confident2 Ų267.8 Ų67.81%0.00935%0.347CS..Hα-helixtrans-60.5-50.9178.5-174.2-95000111.9F311 F322 L352 I353 T354 N358 N359 F360 P375 L377 W418F311-F356 HydrophobicContact CD1-CD2 4.47Å; F311-F356 HydrophobicContact CD2-CB 4.39Å; F311-F356 HydrophobicContact CD2-CD2 4.17Å; F311-F356 HydrophobicContact CE1-CD2 4.22Å; F311-F356 HydrophobicContact CE2-CB 4.13Å; F311-F356 AromaticContact CE2-CD2 3.91Å; F311-F356 HydrophobicContact CE2-CD2 3.91Å; F311-F356 HydrophobicContact CG-CD2 4.47Å; F311-F356 AromaticContact CZ-CD2 3.95Å; F311-F356 HydrophobicContact CZ-CD2 3.95Å; F322-F356 AromaticContact CD2-CE2 3.81Å; F322-F356 HydrophobicContact CD2-CE2 3.81Å; F322-F356 HydrophobicContact CE2-CE2 4.27Å; L352-F356 WeakPolarHBondContact O-CB 3.29Å; L352-F356 PolarHBondContact O-N 2.88Å; I353-F356 PolarHBondContact O-N 2.72Å; T354-F356 VanDerWaalsContact C-N 3.31Å; T354-F356 PolarHBondContact O-N 3.01Å; F356-N358 VanDerWaalsContact C-N 3.3Å; F356-N358 PolarHBondContact O-N 2.77Å; F356-N359 PolarHBondContact O-N 3.06Å; F356-N359 VanDerWaalsContact O-N 3.15Å; F356-F360 AromaticContact CD2-CD2 3.97Å; F356-F360 HydrophobicContact CD2-CD2 3.97Å; F356-F360 HydrophobicContact CD2-CE2 4.37Å; F356-F360 HydrophobicContact CE1-CB 4.44Å; F356-F360 HydrophobicContact CE1-CD2 4.43Å; F356-F360 AromaticContact CE2-CD2 3.73Å; F356-F360 HydrophobicContact CE2-CD2 3.73Å; F356-F360 HydrophobicContact CE2-CE2 4.1Å; F356-F360 HydrophobicContact CG-CD2 4.43Å; F356-F360 AromaticContact CZ-CD2 3.99Å; F356-F360 HydrophobicContact CZ-CD2 3.99Å; F356-F360 PolarHBondContact O-N 3.39Å; F356-P375 HydrophobicContact CE2-CG 4.24Å; F356-P375 HydrophobicContact CZ-CB 4.29Å; F356-P375 HydrophobicContact CZ-CG 3.83Å; F356-P375 VanDerWaalsContact CZ-O 3.28Å; F356-P375 WeakPolarHBondContact CZ-O 3.45Å; F356-L377 HydrophobicContact CB-CD2 4.47Å; F356-L377 HydrophobicContact CD2-CB 4.45Å; F356-L377 HydrophobicContact CD2-CD1 4.4Å; F356-L377 HydrophobicContact CD2-CD2 4.23Å; F356-L377 HydrophobicContact CE1-CB 4.3Å; F356-L377 HydrophobicContact CE2-CB 4.09Å; F356-L377 HydrophobicContact CE2-CD1 4.38Å; F356-L377 HydrophobicContact CG-CD2 4.18Å; F356-L377 HydrophobicContact CZ-CB 3.99Å; F356-W418 AromaticContact CD1-CE3 3.86Å; F356-W418 HydrophobicContact CD1-CE3 3.86Å; F356-W418 HydrophobicContact CD1-CH2 4.32Å; F356-W418 AromaticContact CD1-CZ3 3.66Å; F356-W418 HydrophobicContact CD1-CZ3 3.66Å; F356-W418 HydrophobicContact CE1-CD2 4.23Å; F356-W418 AromaticContact CE1-CE3 3.55Å; F356-W418 HydrophobicContact CE1-CE3 3.55Å; F356-W418 AromaticContact CE1-CZ3 3.86Å; F356-W418 HydrophobicContact CE1-CZ3 3.86Å; F356-W418 HydrophobicContact CZ-CE3 4.47Å
357K93.4Very high82.1Confident94 Ų9474.2 Ų74.241%0.40938%0.38SS..Hα-helixtrans-61.9-35.3178.8-75-176.2174.5-1660113.4I353 T354 N359 F360 P361 W418I353-K357 HydrophobicContact CG2-CD 4.17Å; I353-K357 HydrophobicContact CG2-CG 4.42Å; I353-K357 WeakPolarHBondContact O-CB 3.48Å; I353-K357 WeakPolarHBondContact O-CG 3.47Å; I353-K357 PolarHBondContact O-N 3.31Å; T354-K357 PolarHBondContact O-N 2.98Å; K357-N359 VanDerWaalsContact C-N 3.26Å; K357-N359 PolarHBondContact O-N 3.23Å; K357-F360 CarbonylContact O-C 3.43Å; K357-F360 VanDerWaalsContact O-C 3.31Å; K357-F360 PolarHBondContact O-N 3.2Å; K357-P361 WeakPolarHBondContact O-CA 3.37Å; K357-W418 HydrophobicContact CD-CZ2 4.43Å; K357-W418 HydrophobicContact CG-CZ2 4.21Å
358N94.2Very high79.1Confident123 Ų12372.3 Ų72.366%0.65838%0.383SS*.Hα-helixtrans-65.5-32.3177.9-70.9-9000112.1T354 I355 F356T354-N358 WeakPolarHBondContact O-CB 3.43Å; T354-N358 PolarHBondContact O-N 3.36Å; T354-N358 PolarHBondContact O-ND2 3.1Å; T354-N358 PolarHBondContact O-OD1 3.25Å; I355-N358 PolarHBondContact O-N 3.36Å; F356-N358 VanDerWaalsContact C-N 3.3Å; F356-N358 PolarHBondContact O-N 2.77Å
359N93.8Very high76.3Confident35 Ų3577 Ų7719%0.18742%0.417CS..Hα-helixtrans-88.2-29.5177.9-72.3-81.7000112.5F311 S312 I355 F356 K357F311-N359 HydrophobicContact CB-CB 3.89Å; S312-N359 VanDerWaalsContact CA-OD1 3.23Å; S312-N359 WeakPolarHBondContact CA-OD1 3.41Å; S312-N359 WeakPolarHBondContact CB-OD1 3.26Å; S312-N359 PolarHBondContact N-OD1 2.63Å; I355-N359 PolarHBondContact O-N 3.38Å; I355-N359 PolarHBondContact O-ND2 3.17Å; F356-N359 PolarHBondContact O-N 3.06Å; F356-N359 VanDerWaalsContact O-N 3.15Å; K357-N359 VanDerWaalsContact C-N 3.26Å; K357-N359 PolarHBondContact O-N 3.23Å
360F93.1Very high73.6Confident12 Ų1285.9 Ų85.95%0.05346%0.458CS..SBendtrans-130.576.8-178.3-54.3-69.6000110.8F311 A318 F322 F356 K357 P375F311-F360 HydrophobicContact CB-CE2 3.78Å; F311-F360 HydrophobicContact CB-CZ 4.42Å; F311-F360 HydrophobicContact CD1-CE2 4.25Å; F311-F360 HydrophobicContact CG-CE2 4.12Å; F311-F360 WeakPolarHBondContact O-CZ 3.18Å; A318-F360 HydrophobicContact CB-CD1 4.34Å; A318-F360 HydrophobicContact CB-CE1 3.91Å; F322-F360 AromaticContact CE2-CE2 3.68Å; F322-F360 HydrophobicContact CE2-CE2 3.68Å; F322-F360 AromaticContact CE2-CZ 3.82Å; F322-F360 HydrophobicContact CE2-CZ 3.82Å; F322-F360 HydrophobicContact CZ-CE2 4.15Å; F322-F360 HydrophobicContact CZ-CZ 4.06Å; F356-F360 AromaticContact CD2-CD2 3.97Å; F356-F360 HydrophobicContact CD2-CD2 3.97Å; F356-F360 HydrophobicContact CD2-CE2 4.37Å; F356-F360 HydrophobicContact CE1-CB 4.44Å; F356-F360 HydrophobicContact CE1-CD2 4.43Å; F356-F360 AromaticContact CE2-CD2 3.73Å; F356-F360 HydrophobicContact CE2-CD2 3.73Å; F356-F360 HydrophobicContact CE2-CE2 4.1Å; F356-F360 HydrophobicContact CG-CD2 4.43Å; F356-F360 AromaticContact CZ-CD2 3.99Å; F356-F360 HydrophobicContact CZ-CD2 3.99Å; F356-F360 PolarHBondContact O-N 3.39Å; K357-F360 CarbonylContact O-C 3.43Å; K357-F360 VanDerWaalsContact O-C 3.31Å; K357-F360 PolarHBondContact O-N 3.2Å; F360-P375 HydrophobicContact CB-CG 4.07Å; F360-P375 HydrophobicContact CD1-CG 3.52Å; F360-P375 HydrophobicContact CD2-CG 3.61Å; F360-P375 HydrophobicContact CE1-CG 3.76Å; F360-P375 HydrophobicContact CE2-CG 3.85Å; F360-P375 HydrophobicContact CG-CG 3.44Å; F360-P375 VanDerWaalsContact CG-CG 3.44Å; F360-P375 HydrophobicContact CZ-CG 3.93Å
361P85.6Confident71.4Confident86 Ų8687.5 Ų87.556%0.55848%0.48SS*.  trans-67.7138.318026-33.4000111.9K357 S363K357-P361 WeakPolarHBondContact O-CA 3.37Å; P361-S363 PolarHBondContact O-N 3.45Å
362D70.8Confident69.3Low76 Ų7690.4 Ų90.441%0.40650%0.498SS..  trans-63.9106.9176.8-73.9-36.7000109.9E364 W418D362-E364 PolarHBondContact O-N 2.83Å; D362-W418 PolarHBondContact OD1-NE1 2.58Å; D362-W418 PolarHBondContact OD2-NE1 2.99Å; D362-W418 VanDerWaalsContact OD2-NE1 3.08Å
363S59.6Low67.9Low93 Ų9397.5 Ų97.565%0.6553%0.531SS*.  trans-81.659.9177.8-63.90000111P361 S365P361-S363 PolarHBondContact O-N 3.45Å; S363-S365 VanDerWaalsContact C-N 3.25Å; S363-S365 PolarHBondContact O-N 2.84Å
364E51.3Low67.5Low188 Ų18898.4 Ų98.488%0.87954%0.538SS*.  trans-74.2-16.3173.2-78.3-161.5163.200112.8D362D362-E364 PolarHBondContact O-N 2.83Å
365S43.5Very low67.5Low110 Ų11094.8 Ų94.877%0.76952%0.516SS*.SBendtrans-104.10.5-166.760.40000116.4S363S363-S365 VanDerWaalsContact C-N 3.25Å; S363-S365 PolarHBondContact O-N 2.84Å
366Q39.8Very low67.5Low130 Ų13095 Ų9561%0.60752%0.516SS*.  trans-122118-179.6-58.6-16615.900112T368Q366-T368 HydrophobicContact CB-CG2 4.14Å; Q366-T368 WeakPolarHBondContact CB-OG1 3.49Å; Q366-T368 PolarHBondContact O-N 3.38Å; Q366-T368 PolarHBondContact OE1-OG1 2.88Å
367H35.4Very low67.6Low211 Ų21194.9 Ų94.998%0.97752%0.516SS*.  trans-64.329.8165.8-107.2-70.6000112.7
368T33.7Very low67.8Low90 Ų9090.4 Ų90.455%0.55250%0.496SS*.  trans-99.9109.9-174.949.30000110.2Q366Q366-T368 HydrophobicContact CB-CG2 4.14Å; Q366-T368 WeakPolarHBondContact CB-OG1 3.49Å; Q366-T368 PolarHBondContact O-N 3.38Å; Q366-T368 PolarHBondContact OE1-OG1 2.88Å
369S39.6Very low68Low106 Ų10684.6 Ų84.674%0.74147%0.465SS*.  trans52.475141.3-46.80000118.4S371S369-S371 VanDerWaalsContact C-N 3.33Å; S369-S371 PolarHBondContact O-N 3.04Å
370Q40.2Very low68.3Low186 Ų18682.9 Ų82.987%0.86946%0.456SS*.SBend46.61.1126.7-94.4176.5-3.500124.2
371S47.6Very low68.5Low99 Ų9982.3 Ų82.369%0.69245%0.453SS*.SBendtrans-136.8-18.9-178.375.80000118.9S369S369-S371 VanDerWaalsContact C-N 3.33Å; S369-S371 PolarHBondContact O-N 3.04Å
372N52.3Low68.9Low139 Ų13978.2 Ų78.274%0.74343%0.427SS*.  trans-111.668.4-171.9-708.8000111.6S374N372-S374 PolarHBondContact O-N 3.09Å
373Q69.7Low69.9Low149 Ų14975.7 Ų75.770%0.69641%0.414SS*.PPolyproline II helixtrans-63.3131.3163.8-174.9172.8-4.300108.1
374S87.1Confident71.5Confident34 Ų3473.3 Ų73.324%0.23839%0.393CS..PPolyproline II helixtrans-56.6139.6174.852.50000109.9N372N372-S374 PolarHBondContact O-N 3.09Å
375P94.8Very high73.5Confident2 Ų264.5 Ų64.51%0.01335%0.352CS..PPolyproline II helixtrans-57.8147.7178.721.2-29.5000109.8A318 P319 F322 F356 F360A318-P375 HydrophobicContact CB-CG 4.24Å; P319-P375 HydrophobicContact CG-CB 4.34Å; P319-P375 VanDerWaalsContact O-CB 3.3Å; P319-P375 WeakPolarHBondContact O-CB 3.21Å; F322-P375 HydrophobicContact CD2-CB 3.96Å; F322-P375 HydrophobicContact CD2-CG 4.32Å; F322-P375 HydrophobicContact CE2-CB 3.9Å; F322-P375 HydrophobicContact CE2-CG 3.94Å; F356-P375 HydrophobicContact CE2-CG 4.24Å; F356-P375 HydrophobicContact CZ-CB 4.29Å; F356-P375 HydrophobicContact CZ-CG 3.83Å; F356-P375 VanDerWaalsContact CZ-O 3.28Å; F356-P375 WeakPolarHBondContact CZ-O 3.45Å; F360-P375 HydrophobicContact CB-CG 4.07Å; F360-P375 HydrophobicContact CD1-CG 3.52Å; F360-P375 HydrophobicContact CD2-CG 3.61Å; F360-P375 HydrophobicContact CE1-CG 3.76Å; F360-P375 HydrophobicContact CE2-CG 3.85Å; F360-P375 HydrophobicContact CG-CG 3.44Å; F360-P375 VanDerWaalsContact CG-CG 3.44Å; F360-P375 HydrophobicContact CZ-CG 3.93Å
376K95.9Very high75.8Confident30 Ų3059.6 Ų59.613%0.1332%0.318CS..EExtended strand (participates in β ladder)trans-80.3148169-52.8-158.7-171.6178.10110.7L83 V320 A321 F322 W418 H420L83-K376 HydrophobicContact CD2-CB 4.36Å; L83-K376 HydrophobicContact CD2-CD 3.82Å; L83-K376 HydrophobicContact CD2-CG 4.22Å; L83-K376 PolarHBondContact O-NZ 3.27Å; V320-K376 PolarHBondContact O-N 3.03Å; A321-K376 CarbonylContact C-O 3.31Å; A321-K376 WeakPolarHBondContact CA-O 3.28Å; A321-K376 HydrophobicContact CB-CB 3.9Å; A321-K376 WeakPolarHBondContact CB-O 3.21Å; F322-K376 PolarHBondContact N-O 2.78Å; K376-W418 CarbonylContact C-O 3.58Å; K376-W418 VanDerWaalsContact CA-O 3.23Å; K376-W418 WeakPolarHBondContact CA-O 3.35Å; K376-H420 VanDerWaalsContact CD-NE2 3.3Å; K376-H420 WeakPolarHBondContact CD-NE2 3.38Å
377L98Very high78.1Confident0 Ų054.1 Ų54.10%029%0.293CS..EExtended strand (participates in β ladder)trans-109.8116.6170.5-176.461.2000109.1F322 L324 F356 L379 W418 L419 H420F322-L377 HydrophobicContact CB-CD1 4Å; L324-L377 HydrophobicContact CD1-CD1 3.79Å; F356-L377 HydrophobicContact CB-CD2 4.47Å; F356-L377 HydrophobicContact CD2-CB 4.45Å; F356-L377 HydrophobicContact CD2-CD1 4.4Å; F356-L377 HydrophobicContact CD2-CD2 4.23Å; F356-L377 HydrophobicContact CE1-CB 4.3Å; F356-L377 HydrophobicContact CE2-CB 4.09Å; F356-L377 HydrophobicContact CE2-CD1 4.38Å; F356-L377 HydrophobicContact CG-CD2 4.18Å; F356-L377 HydrophobicContact CZ-CB 3.99Å; L377-L379 HydrophobicContact CD1-CD2 4.08Å; L377-L379 HydrophobicContact CD2-CD2 4.27Å; L377-L379 HydrophobicContact CG-CD2 3.94Å; L377-L379 HydrophobicContact CG-CG 4.33Å; L377-W418 HydrophobicContact CB-CE3 4.12Å; L377-W418 HydrophobicContact CB-CZ3 4.08Å; L377-W418 HydrophobicContact CD2-CZ3 4.18Å; L377-W418 PolarHBondContact N-O 3.5Å; L377-L419 HydrophobicContact CB-CD1 4.03Å; L377-L419 HydrophobicContact CD2-CD1 3.99Å; L377-L419 HydrophobicContact CG-CD1 4.03Å; L377-L419 WeakPolarHBondContact O-CA 3.07Å; L377-H420 PolarHBondContact O-N 2.86Å
378I98.6Very high80.4Confident0 Ų052 Ų520%028%0.277CS..EExtended strand (participates in β ladder)trans-109.8116.7-179.6-53.9174.9000108.3L83 V85 A321 F322 I323 L324 I380 H420 A422 L428L83-I378 HydrophobicContact CD2-CD1 4.35Å; V85-I378 HydrophobicContact CG2-CD1 3.84Å; V85-I378 HydrophobicContact CG2-CG1 4.31Å; A321-I378 HydrophobicContact CB-CD1 4.03Å; A321-I378 HydrophobicContact CB-CG1 4.38Å; F322-I378 PolarHBondContact O-N 3.24Å; I323-I378 HydrophobicContact CG1-CB 4.24Å; I323-I378 HydrophobicContact CG1-CD1 4.1Å; L324-I378 PolarHBondContact N-O 3.18Å; I378-I380 HydrophobicContact CG2-CD1 4.48Å; I378-I380 HydrophobicContact CG2-CG1 4.19Å; I378-H420 WeakPolarHBondContact CA-O 3.39Å; I378-H420 HydrophobicContact CG1-CB 4.17Å; I378-H420 HydrophobicContact CG2-CB 4.38Å; I378-A422 HydrophobicContact CG2-CB 3.98Å; I378-L428 HydrophobicContact CD1-CD1 3.97Å; I378-L428 HydrophobicContact CD1-CD2 3.93Å
379L98.7Very high82.8Confident0 Ų048.8 Ų48.80%026%0.26CS..EExtended strand (participates in β ladder)trans-107.7122.2178.8-55.4-176.2000110L324 F328 L349 L352 L377 L399 L419 H420 L421 A422L324-L379 HydrophobicContact CB-CD2 3.87Å; L324-L379 HydrophobicContact CD2-CD2 4.44Å; L324-L379 WeakPolarHBondContact O-CA 3.38Å; F328-L379 HydrophobicContact CE1-CD2 4.43Å; F328-L379 HydrophobicContact CZ-CB 4.14Å; F328-L379 HydrophobicContact CZ-CD2 4.26Å; L349-L379 HydrophobicContact CD2-CD1 3.9Å; L352-L379 HydrophobicContact CD2-CD2 4.27Å; L377-L379 HydrophobicContact CD1-CD2 4.08Å; L377-L379 HydrophobicContact CD2-CD2 4.27Å; L377-L379 HydrophobicContact CG-CD2 3.94Å; L377-L379 HydrophobicContact CG-CG 4.33Å; L379-L399 HydrophobicContact CB-CD1 4.06Å; L379-L399 HydrophobicContact CD1-CD1 4.23Å; L379-L419 HydrophobicContact CD1-CD1 4.11Å; L379-L419 HydrophobicContact CG-CD1 4.21Å; L379-H420 PolarHBondContact N-O 3.02Å; L379-L421 HydrophobicContact CB-CD2 4.27Å; L379-L421 HydrophobicContact CD1-CD2 4Å; L379-L421 HydrophobicContact CG-CD2 4.46Å; L379-A422 PolarHBondContact O-N 3.34Å
380I98.4Very high84.9Confident0 Ų046.1 Ų46.10%024%0.24CC..EExtended strand (participates in β ladder)trans-115.7122.8-178.4-59.3168.5000108.7I323 L324 S325 G326 F328 I378 A422 N424 I437 R439I323-I380 HydrophobicContact CG2-CD1 3.85Å; L324-I380 PolarHBondContact O-N 2.97Å; S325-I380 CarbonylContact C-O 3.5Å; S325-I380 VanDerWaalsContact CA-O 3.31Å; S325-I380 WeakPolarHBondContact CA-O 3.32Å; G326-I380 PolarHBondContact N-O 3.48Å; F328-I380 WeakPolarHBondContact CE2-O 3.45Å; I378-I380 HydrophobicContact CG2-CD1 4.48Å; I378-I380 HydrophobicContact CG2-CG1 4.19Å; I380-A422 HydrophobicContact CG1-CB 4.19Å; I380-N424 HydrophobicContact CG2-CB 3.83Å; I380-I437 HydrophobicContact CD1-CB 3.83Å; I380-I437 HydrophobicContact CD1-CD1 3.93Å; I380-I437 HydrophobicContact CD1-CG1 4.48Å; I380-I437 HydrophobicContact CD1-CG2 3.39Å; I380-R439 HydrophobicContact CG2-CB 4.35Å
381P97Very high86.9Confident0 Ų041.4 Ų41.40%022%0.217CC..  trans-72.8141.4-177.128.9-33.7000112.2D385 V387 P397 L399 A422 N424P381-D385 HydrophobicContact CB-CB 4.27Å; P381-V387 HydrophobicContact CB-CG1 3.72Å; P381-V387 HydrophobicContact CG-CG1 4.19Å; P381-P397 WeakPolarHBondContact CG-O 3.48Å; P381-L399 HydrophobicContact CB-CD2 4.19Å; P381-L399 HydrophobicContact CB-CG 4.45Å; P381-A422 WeakPolarHBondContact CD-O 3.41Å; P381-N424 HydrophobicContact CG-CB 4.19Å; P381-N424 WeakPolarHBondContact O-CB 3.24Å; P381-N424 PolarHBondContact O-ND2 2.88Å
382G94.5Very high88.6Confident0 Ų043.2 Ų43.20%021%0.214CC..  trans-79.6173.6167.800000113.1N327 E384 D385 R396N327-G382 VanDerWaalsContact OD1-CA 3.28Å; N327-G382 WeakPolarHBondContact OD1-CA 3.35Å; G382-E384 VanDerWaalsContact C-N 3.29Å; G382-E384 PolarHBondContact O-N 3.4Å; G382-D385 PolarHBondContact N-OD2 3.41Å; G382-D385 PolarHBondContact O-N 2.81Å; G382-R396 PolarHBondContact O-NE 3.28Å
383P92.2Very high90.4Very high22 Ų2237.6 Ų37.614%0.14318%0.184CC..THydrogen-bonded Turntrans-64-29.6-179.125.6-34.9000114N327 R396 R439N327-P383 VanDerWaalsContact OD1-CD 3.27Å; N327-P383 WeakPolarHBondContact OD1-CD 3.28Å; P383-R396 PolarHBondContact O-NH1 3.25Å; P383-R396 PolarHBondContact O-NH2 3.16Å; P383-R439 VanDerWaalsContact CD-NH1 3.31Å
384E92.3Very high91.5Very high43 Ų4331.4 Ų31.420%0.20116%0.155CC..THydrogen-bonded Turntrans-95.6-5.6-178.1-64.2-57.4137.600113.7N327 R341 G382 K391N327-E384 WeakPolarHBondContact OD1-CA 3.4Å; N327-E384 WeakPolarHBondContact OD1-CB 3.47Å; N327-E384 PolarHBondContact OD1-N 2.84Å; R341-E384 VanDerWaalsContact CZ-O 3.25Å; R341-E384 PolarHBondContact NH1-O 2.96Å; R341-E384 PolarHBondContact NH2-O 2.73Å; G382-E384 VanDerWaalsContact C-N 3.29Å; G382-E384 PolarHBondContact O-N 3.4Å; E384-K391 WeakPolarHBondContact OE2-CD 3.37Å; E384-K391 WeakPolarHBondContact OE2-CE 3.26Å; E384-K391 IonicContact OE2-NZ 3.45Å; E384-K391 PolarHBondContact OE2-NZ 3.37Å
385D93.9Very high91.8Very high3 Ų329.8 Ų29.82%0.01614%0.144CC..SBendtrans-69.2138.6179-73.4-35000111.6G326 N327 F328 P381 G382 V387 R396G326-D385 WeakPolarHBondContact CA-OD2 3.14Å; N327-D385 WeakPolarHBondContact CA-OD2 3.43Å; F328-D385 VanDerWaalsContact CD2-OD2 3.29Å; F328-D385 WeakPolarHBondContact CD2-OD2 3.41Å; F328-D385 PolarHBondContact N-OD1 3.31Å; F328-D385 PolarHBondContact N-OD2 3.4Å; P381-D385 HydrophobicContact CB-CB 4.27Å; G382-D385 PolarHBondContact N-OD2 3.41Å; G382-D385 PolarHBondContact O-N 2.81Å; D385-V387 VanDerWaalsContact C-N 3.27Å; D385-V387 PolarHBondContact O-N 3.21Å; D385-R396 PolarHBondContact O-NH2 3.15Å; D385-R396 VanDerWaalsContact O-NH2 3.07Å
386P91.2Very high91.7Very high8 Ų829.9 Ų29.95%0.05214%0.144CC..  trans-76.272.1-176.333.1-36.9000112R341 R342 L345R341-P386 HydrophobicContact CB-CG 4.35Å; R342-P386 HydrophobicContact CB-CG 4.43Å; R342-P386 PolarHBondContact NH1-O 2.93Å; L345-P386 HydrophobicContact CD2-CG 3.86Å
387V89.3Confident91.6Very high14 Ų1430.4 Ų30.49%0.08515%0.15CC..  trans-90.1167.1171.2-610000111.5P381 D385 A389 L399P381-V387 HydrophobicContact CB-CG1 3.72Å; P381-V387 HydrophobicContact CG-CG1 4.19Å; D385-V387 VanDerWaalsContact C-N 3.27Å; D385-V387 PolarHBondContact O-N 3.21Å; V387-A389 HydrophobicContact CG2-CB 4.15Å; V387-A389 PolarHBondContact O-N 3.37Å; V387-L399 HydrophobicContact CG1-CD2 4.05Å
388Y83.9Confident91.5Very high167 Ų16731.1 Ų31.166%0.65516%0.158SC*.SBendtrans-77.450.7175.3-62.6-65.5000112.2R342R342-Y388 VanDerWaalsContact CZ-CZ 3.48Å; R342-Y388 PolarHBondContact NH2-OH 3.34Å; R342-Y388 VanDerWaalsContact NH2-OH 3.13Å
389A83.2Confident91.3Very high22 Ų2231.5 Ų31.518%0.18216%0.16CC..SBendtrans-154.5156.3176.600000111.8V387 P397V387-A389 HydrophobicContact CG2-CB 4.15Å; V387-A389 PolarHBondContact O-N 3.37Å; A389-P397 HydrophobicContact CB-CG 3.77Å
390P83.8Confident91Very high50 Ų5032 Ų3233%0.32517%0.165SC..  trans-60.3145.7175-23.335.9000113I117 H392 I393 R396 Y540I117-P390 HydrophobicContact CD1-CG 4.22Å; P390-H392 VanDerWaalsContact C-N 3.34Å; P390-H392 PolarHBondContact O-N 2.88Å; P390-I393 HydrophobicContact CB-CB 4.36Å; P390-I393 HydrophobicContact CB-CD1 3.88Å; P390-I393 HydrophobicContact CB-CG1 3.97Å; P390-I393 HydrophobicContact CG-CD1 4.01Å; P390-R396 PolarHBondContact O-NH1 3.05Å; P390-Y540 VanDerWaalsContact CD-OH 3.28Å; P390-Y540 WeakPolarHBondContact CD-OH 3.46Å
391K82.1Confident90.6Very high88 Ų8834.8 Ų34.838%0.38318%0.179SC..THydrogen-bonded Turntrans-61.1-34-172.9-71.8-170.1179.6-169.30115.2E384 R396E384-K391 WeakPolarHBondContact OE2-CD 3.37Å; E384-K391 WeakPolarHBondContact OE2-CE 3.26Å; E384-K391 IonicContact OE2-NZ 3.45Å; E384-K391 PolarHBondContact OE2-NZ 3.37Å; K391-R396 PolarHBondContact O-NH1 3.24Å
392H83.9Confident90.3Very high136 Ų13637.1 Ų37.163%0.6319%0.192SC*.THydrogen-bonded Turntrans-115.316.1-168.9-53.4-57.4000113.6P390P390-H392 VanDerWaalsContact C-N 3.34Å; P390-H392 PolarHBondContact O-N 2.88Å
393I90.2Very high90.1Very high22 Ų2237.1 Ų37.111%0.11319%0.192CC..  trans-115.5134.9179.9-50.4-176000109.3I117 P390 P538 Y540I117-I393 HydrophobicContact CD1-CD1 3.99Å; I117-I393 HydrophobicContact CG1-CD1 3.98Å; I117-I393 HydrophobicContact CG2-CD1 4.04Å; P390-I393 HydrophobicContact CB-CB 4.36Å; P390-I393 HydrophobicContact CB-CD1 3.88Å; P390-I393 HydrophobicContact CB-CG1 3.97Å; P390-I393 HydrophobicContact CG-CD1 4.01Å; I393-P538 HydrophobicContact CG1-CB 4.27Å; I393-Y540 HydrophobicContact CB-CE2 4.36Å; I393-Y540 HydrophobicContact CG2-CD1 4.08Å; I393-Y540 HydrophobicContact CG2-CD2 3.79Å; I393-Y540 HydrophobicContact CG2-CE1 3.95Å; I393-Y540 HydrophobicContact CG2-CE2 3.64Å; I393-Y540 HydrophobicContact CG2-CG 4Å
394L92.4Very high90Very high19 Ų1937.2 Ų37.210%0.09919%0.191CC..BIsolated β-bridgetrans-115.3154.3178.6-72163.6000111.6R396 N424 F438 L530 P538 V539 Y540 L547L394-R396 HydrophobicContact CD2-CG 4.18Å; L394-N424 WeakPolarHBondContact CD2-O 3.43Å; L394-F438 HydrophobicContact CD1-CE2 3.63Å; L394-F438 HydrophobicContact CD1-CZ 3.59Å; L394-F438 HydrophobicContact CD2-CE2 3.93Å; L394-F438 HydrophobicContact CG-CE2 4.45Å; L394-L530 HydrophobicContact CD1-CD2 3.86Å; L394-P538 PolarHBondContact N-O 2.95Å; L394-V539 HydrophobicContact CB-CG1 4.35Å; L394-V539 CarbonylContact O-C 3.56Å; L394-V539 VanDerWaalsContact O-CA 3.26Å; L394-V539 WeakPolarHBondContact O-CA 3.41Å; L394-Y540 WeakPolarHBondContact O-CD2 3.48Å; L394-Y540 PolarHBondContact O-N 2.8Å; L394-L547 HydrophobicContact CB-CD1 4.43Å; L394-L547 HydrophobicContact CB-CD2 4.22Å; L394-L547 HydrophobicContact CD1-CD2 4.08Å
395P93.6Very high89.5Confident0 Ų036.1 Ų36.10%019%0.188CC..SBendcis-68155.8-10-20.234000113A88 F89 N424 Y540 A546 L547A88-P395 HydrophobicContact CB-CB 3.42Å; A88-P395 VanDerWaalsContact CB-CB 3.42Å; A88-P395 HydrophobicContact CB-CG 3.75Å; F89-P395 HydrophobicContact CE1-CB 4.33Å; F89-P395 HydrophobicContact CE2-CB 4.4Å; F89-P395 HydrophobicContact CZ-CB 3.98Å; P395-N424 WeakPolarHBondContact CA-O 3.35Å; P395-Y540 WeakPolarHBondContact O-CE2 3.41Å; P395-A546 HydrophobicContact CG-CB 3.68Å; P395-L547 HydrophobicContact CG-CD1 4Å
396R93.3Very high88.3Confident4 Ų441.5 Ų41.52%0.01522%0.217CC..BIsolated β-bridgetrans-98.3138.1172.2-64.1175.37892.6-12.5110.7G382 P383 D385 P390 K391 L394 S423 N424G382-R396 PolarHBondContact O-NE 3.28Å; P383-R396 PolarHBondContact O-NH1 3.25Å; P383-R396 PolarHBondContact O-NH2 3.16Å; D385-R396 PolarHBondContact O-NH2 3.15Å; D385-R396 VanDerWaalsContact O-NH2 3.07Å; P390-R396 PolarHBondContact O-NH1 3.05Å; K391-R396 PolarHBondContact O-NH1 3.24Å; L394-R396 HydrophobicContact CD2-CG 4.18Å; R396-S423 CarbonylContact O-C 3.56Å; R396-S423 VanDerWaalsContact O-CA 3.24Å; R396-S423 WeakPolarHBondContact O-CA 3.37Å; R396-S423 WeakPolarHBondContact O-CB 3.25Å; R396-N424 HydrophobicContact CB-CB 4.33Å; R396-N424 PolarHBondContact N-O 3.35Å; R396-N424 PolarHBondContact O-N 2.87Å
397P94.1Very high86.8Confident40 Ų4046 Ų4626%0.2624%0.241SC..PPolyproline II helixtrans-64.3158.9167.731.6-35.1000111F89 P381 A389F89-P397 HydrophobicContact CE2-CB 4.21Å; P381-P397 WeakPolarHBondContact CG-O 3.48Å; A389-P397 HydrophobicContact CB-CG 3.77Å
398G95.1Very high85.3Confident16 Ų1655 Ų5517%0.16528%0.279CS..  trans-63.8175.9173.300000113.5A422G398-A422 WeakPolarHBondContact CA-O 3.5Å
399L94.9Very high83.7Confident7 Ų752.9 Ų52.94%0.03728%0.279CS..  trans-59.8142.1173.5-66.3173.6000110.7F328 L345 L349 L379 P381 V387 L403 L421F328-L399 HydrophobicContact CD2-CD1 4.05Å; F328-L399 HydrophobicContact CD2-CD2 4.46Å; F328-L399 HydrophobicContact CE2-CD1 3.7Å; F328-L399 HydrophobicContact CE2-CG 4.46Å; F328-L399 HydrophobicContact CZ-CD1 4.46Å; L345-L399 HydrophobicContact CD2-CD2 4.19Å; L349-L399 HydrophobicContact CD1-CD1 3.91Å; L349-L399 HydrophobicContact CD2-CD1 4.34Å; L379-L399 HydrophobicContact CB-CD1 4.06Å; L379-L399 HydrophobicContact CD1-CD1 4.23Å; P381-L399 HydrophobicContact CB-CD2 4.19Å; P381-L399 HydrophobicContact CB-CG 4.45Å; V387-L399 HydrophobicContact CG1-CD2 4.05Å; L399-L403 HydrophobicContact CB-CD1 4.1Å; L399-L403 HydrophobicContact CD2-CD1 4.03Å; L399-L421 HydrophobicContact CB-CD2 4.39Å; L399-L421 WeakPolarHBondContact O-CD1 3.39Å
400G91.6Very high82.3Confident10 Ų1063.2 Ų63.210%0.10331%0.313CS..  trans-68.8138.7179.300000112D402 L403G400-D402 VanDerWaalsContact C-OD1 3.27Å; G400-D402 WeakPolarHBondContact CA-OD1 3.44Å; G400-D402 PolarHBondContact O-N 3.12Å; G400-D402 VanDerWaalsContact O-N 3.13Å; G400-L403 VanDerWaalsContact O-CB 3.26Å; G400-L403 WeakPolarHBondContact O-CB 3.41Å; G400-L403 PolarHBondContact O-N 2.78Å
401I90.5Very high80.7Confident59 Ų5966.3 Ų66.330%0.30334%0.335SS..G310 helixtrans-60.8-23.4179.3-16956.1000112.9L403 I404 S405 S413 C415 L421I401-L403 PolarHBondContact O-N 2.88Å; I401-I404 HydrophobicContact CD1-CB 4.5Å; I401-I404 PolarHBondContact O-N 3.35Å; I401-S405 WeakPolarHBondContact O-CB 3.33Å; I401-S405 PolarHBondContact O-N 2.72Å; I401-S413 WeakPolarHBondContact CG1-O 3.24Å; I401-C415 HydrophobicContact CD1-CB 3.8Å; I401-L421 HydrophobicContact CD1-CD1 4.17Å
402D89.9Confident79.4Confident49 Ų4966.6 Ų66.626%0.26235%0.349SS..G310 helixtrans-64.2-18.2173.163.7-66.6000113.8R342 R346 G400R342-D402 IonicContact CZ-OD1 2.84Å; R342-D402 IonicContact CZ-OD2 3.49Å; R342-D402 VanDerWaalsContact CZ-OD2 3.25Å; R342-D402 IonicContact NE-OD2 3.64Å; R342-D402 PolarHBondContact NE-OD2 2.72Å; R342-D402 IonicContact NH2-OD1 3.4Å; R342-D402 PolarHBondContact NH2-OD1 3.13Å; R342-D402 IonicContact NH2-OD2 3.69Å; R342-D402 PolarHBondContact NH2-OD2 3.37Å; R346-D402 PolarHBondContact NH1-O 3.3Å; G400-D402 VanDerWaalsContact C-OD1 3.27Å; G400-D402 WeakPolarHBondContact CA-OD1 3.44Å; G400-D402 PolarHBondContact O-N 3.12Å; G400-D402 VanDerWaalsContact O-N 3.13Å
403L91.2Very high78.2Confident1 Ų161.7 Ų61.71%0.00533%0.33CS..G310 helixtrans-74.9-17.4172.9-65.9175.2000112.4R342 L345 R346 L349 L399 G400 I401R342-L403 HydrophobicContact CG-CD2 3.5Å; R342-L403 VanDerWaalsContact CG-CD2 3.5Å; R342-L403 WeakPolarHBondContact O-CD2 3.39Å; L345-L403 HydrophobicContact CD2-CD1 3.98Å; L345-L403 HydrophobicContact CG-CD1 4.43Å; R346-L403 HydrophobicContact CB-CD2 3.94Å; R346-L403 WeakPolarHBondContact CG-O 3.35Å; L349-L403 HydrophobicContact CD1-CB 3.96Å; L349-L403 HydrophobicContact CD1-CD1 4.12Å; L399-L403 HydrophobicContact CB-CD1 4.1Å; L399-L403 HydrophobicContact CD2-CD1 4.03Å; G400-L403 VanDerWaalsContact O-CB 3.26Å; G400-L403 WeakPolarHBondContact O-CB 3.41Å; G400-L403 PolarHBondContact O-N 2.78Å; I401-L403 PolarHBondContact O-N 2.88Å
404I89.2Confident77.4Confident23 Ų2365.6 Ų65.612%0.11836%0.359CS..THydrogen-bonded Turntrans-117-48.9-171.3-68.3155.4000110.8I353 I401 L419 L421I353-I404 HydrophobicContact CD1-CB 4.12Å; I353-I404 HydrophobicContact CD1-CD1 4.35Å; I353-I404 HydrophobicContact CD1-CG1 3.72Å; I353-I404 HydrophobicContact CD1-CG2 3.41Å; I353-I404 VanDerWaalsContact CD1-CG2 3.41Å; I401-I404 HydrophobicContact CD1-CB 4.5Å; I401-I404 PolarHBondContact O-N 3.35Å; I404-L419 HydrophobicContact CD1-CD2 3.77Å; I404-L419 HydrophobicContact CG1-CD2 4.45Å; I404-L419 HydrophobicContact CG2-CD2 3.96Å; I404-L421 HydrophobicContact CD1-CD1 3.43Å; I404-L421 VanDerWaalsContact CD1-CD1 3.43Å; I404-L421 HydrophobicContact CD1-CD2 3.24Å; I404-L421 HydrophobicContact CD1-CG 3.89Å
405S82.7Confident77Confident21 Ų2166.6 Ų66.615%0.14737%0.367CS..  trans-59.6138.9-176.9-1770000112.2R346 R350 I401 N407 S413R346-S405 PolarHBondContact NH2-O 3.13Å; R350-S405 PolarHBondContact NH2-O 3.38Å; I401-S405 WeakPolarHBondContact O-CB 3.33Å; I401-S405 PolarHBondContact O-N 2.72Å; S405-N407 PolarHBondContact OG-N 2.95Å; S405-S413 WeakPolarHBondContact CB-OG 3.35Å; S405-S413 VanDerWaalsContact OG-CB 3.32Å; S405-S413 WeakPolarHBondContact OG-CB 3.18Å; S405-S413 PolarHBondContact OG-OG 3.48Å
406D69.3Low76.7Confident116 Ų11668.4 Ų68.462%0.6238%0.379SS*.  trans-85.9-23.6171.7-123.1-0.8000113.5R350 K408R350-D406 IonicContact CZ-OD1 3.83Å; R350-D406 IonicContact NH1-OD1 2.66Å; R350-D406 PolarHBondContact NH1-OD1 3.32Å; R350-D406 VanDerWaalsContact NH2-CA 3.33Å; R350-D406 IonicContact NH2-OD1 2.66Å; R350-D406 PolarHBondContact NH2-OD1 3.36Å; D406-K408 PolarHBondContact O-N 3.34Å; D406-K408 VanDerWaalsContact O-N 3.17Å
407N58.1Low76.4Confident103 Ų10373.6 Ų73.655%0.55141%0.413SS*.  trans-69.4117.8-169.4-75.6-9.2000110.7S405 D409S405-N407 PolarHBondContact OG-N 2.95Å; N407-D409 PolarHBondContact O-N 3.07Å
408K57.6Low76.3Confident202 Ų20272.2 Ų72.288%0.87840%0.403SS*.SBendtrans-58.9-27.8162.8-71-176.9177178.20110.7D406 R410D406-K408 PolarHBondContact O-N 3.34Å; D406-K408 VanDerWaalsContact O-N 3.17Å; K408-R410 PolarHBondContact O-N 3Å
409D51.6Low76.4Confident123 Ų12371.7 Ų71.766%0.65840%0.396SS*.  trans-76.999.2174.8-70.8-27.8000111.1N407 S411N407-D409 PolarHBondContact O-N 3.07Å; D409-S411 PolarHBondContact O-N 3.42Å; D409-S411 VanDerWaalsContact O-N 3.09Å
410R52.7Low76.4Confident239 Ų23973.6 Ų73.690%0.90241%0.405SS*.THydrogen-bonded Turntrans-62.4-10.4-179.8-68.4-177176.2-176.1-0.9114.4K408 S412K408-R410 PolarHBondContact O-N 3Å; R410-S412 PolarHBondContact O-N 2.98Å
411S51.9Low76.7Confident114 Ų11474.6 Ų74.680%0.79741%0.408SS*.THydrogen-bonded Turntrans-79.3-14.1-167.653.10000115.1D409D409-S411 PolarHBondContact O-N 3.42Å; D409-S411 VanDerWaalsContact O-N 3.09Å
412S53.3Low77Confident95 Ų9571.9 Ų71.966%0.66439%0.394SS*.  trans-15032.3-178.4-163.40000114.8R410 S414R410-S412 PolarHBondContact O-N 2.98Å; S412-S414 PolarHBondContact O-N 3.4Å
413S60.1Low77.3Confident32 Ų3269.5 Ų69.522%0.22438%0.381CS..  trans-73.778.8174.9-66.80000110.6I401 S405I401-S413 WeakPolarHBondContact CG1-O 3.24Å; S405-S413 WeakPolarHBondContact CB-OG 3.35Å; S405-S413 VanDerWaalsContact OG-CB 3.32Å; S405-S413 WeakPolarHBondContact OG-CB 3.18Å; S405-S413 PolarHBondContact OG-OG 3.48Å
414S73.4Confident77.6Confident104 Ų10469.5 Ų69.573%0.72738%0.381SS*.PPolyproline II helixtrans-78138.3171.6-172.60000110.2S412S412-S414 PolarHBondContact O-N 3.4Å
415C83.7Confident78Confident40 Ų4068.5 Ų68.527%0.2738%0.376SS..PPolyproline II helixtrans-67135.7168.8-162.80000108.9I401 L419I401-C415 HydrophobicContact CD1-CB 3.8Å; C415-L419 PolarHBondContact SG-O 3.05Å
416P87.4Confident78.8Confident39 Ų3967.5 Ų67.525%0.25337%0.369SS..PPolyproline II helixtrans-64.7150.1175.226.5-32.4000110.5W418 L419P416-W418 HydrophobicContact CB-CD2 4.49Å; P416-W418 HydrophobicContact CB-CZ2 4.14Å; P416-W418 HydrophobicContact CG-CD2 4.34Å; P416-W418 HydrophobicContact CG-CH2 4.22Å; P416-W418 HydrophobicContact CG-CZ2 3.53Å; P416-W418 PolarHBondContact O-N 3.24Å; P416-L419 HydrophobicContact CG-CB 3.8Å; P416-L419 HydrophobicContact CG-CD2 4.28Å; P416-L419 PolarHBondContact O-N 3.17Å
417P87.3Confident80.1Confident112 Ų11262.5 Ų62.573%0.72734%0.341SS*.THydrogen-bonded Turntrans-66.1-22.2-170.825.6-35.2000114.5L419P417-L419 VanDerWaalsContact C-N 3.34Å
418W91.9Very high82Confident11 Ų1157.6 Ų57.64%0.04232%0.315CS..THydrogen-bonded Turntrans-79.6-14.6174.458.6-104.6000112.8I353 F356 K357 D362 K376 L377 P416I353-W418 HydrophobicContact CG1-CH2 4.29Å; I353-W418 HydrophobicContact CG2-CH2 3.88Å; I353-W418 HydrophobicContact CG2-CZ2 4.43Å; F356-W418 AromaticContact CD1-CE3 3.86Å; F356-W418 HydrophobicContact CD1-CE3 3.86Å; F356-W418 HydrophobicContact CD1-CH2 4.32Å; F356-W418 AromaticContact CD1-CZ3 3.66Å; F356-W418 HydrophobicContact CD1-CZ3 3.66Å; F356-W418 HydrophobicContact CE1-CD2 4.23Å; F356-W418 AromaticContact CE1-CE3 3.55Å; F356-W418 HydrophobicContact CE1-CE3 3.55Å; F356-W418 AromaticContact CE1-CZ3 3.86Å; F356-W418 HydrophobicContact CE1-CZ3 3.86Å; F356-W418 HydrophobicContact CZ-CE3 4.47Å; K357-W418 HydrophobicContact CD-CZ2 4.43Å; K357-W418 HydrophobicContact CG-CZ2 4.21Å; D362-W418 PolarHBondContact OD1-NE1 2.58Å; D362-W418 PolarHBondContact OD2-NE1 2.99Å; D362-W418 VanDerWaalsContact OD2-NE1 3.08Å; K376-W418 CarbonylContact C-O 3.58Å; K376-W418 VanDerWaalsContact CA-O 3.23Å; K376-W418 WeakPolarHBondContact CA-O 3.35Å; L377-W418 HydrophobicContact CB-CE3 4.12Å; L377-W418 HydrophobicContact CB-CZ3 4.08Å; L377-W418 HydrophobicContact CD2-CZ3 4.18Å; L377-W418 PolarHBondContact N-O 3.5Å; P416-W418 HydrophobicContact CB-CD2 4.49Å; P416-W418 HydrophobicContact CB-CZ2 4.14Å; P416-W418 HydrophobicContact CG-CD2 4.34Å; P416-W418 HydrophobicContact CG-CH2 4.22Å; P416-W418 HydrophobicContact CG-CZ2 3.53Å; P416-W418 PolarHBondContact O-N 3.24Å
419L95.6Very high83.8Confident5 Ų548.2 Ų48.23%0.02627%0.274CS..EExtended strand (participates in β ladder)trans-105.5125-178-176.458.5000111.1I353 L377 L379 I404 C415 P416 P417 L421I353-L419 HydrophobicContact CD1-CD2 3.87Å; L377-L419 HydrophobicContact CB-CD1 4.03Å; L377-L419 HydrophobicContact CD2-CD1 3.99Å; L377-L419 HydrophobicContact CG-CD1 4.03Å; L377-L419 WeakPolarHBondContact O-CA 3.07Å; L379-L419 HydrophobicContact CD1-CD1 4.11Å; L379-L419 HydrophobicContact CG-CD1 4.21Å; I404-L419 HydrophobicContact CD1-CD2 3.77Å; I404-L419 HydrophobicContact CG1-CD2 4.45Å; I404-L419 HydrophobicContact CG2-CD2 3.96Å; C415-L419 PolarHBondContact SG-O 3.05Å; P416-L419 HydrophobicContact CG-CB 3.8Å; P416-L419 HydrophobicContact CG-CD2 4.28Å; P416-L419 PolarHBondContact O-N 3.17Å; P417-L419 VanDerWaalsContact C-N 3.34Å; L419-L421 HydrophobicContact CD1-CD2 4.25Å; L419-L421 HydrophobicContact CD2-CD2 4.36Å; L419-L421 HydrophobicContact CG-CD2 4.13Å
420H95.9Very high85.9Confident47 Ų4742.3 Ų42.322%0.21824%0.243CC..EExtended strand (participates in β ladder)trans-116.7120.6174.6-67.9-78.8000110.7V85 K376 L377 I378 L379 A422V85-H420 HydrophobicContact CG1-CB 4.24Å; V85-H420 HydrophobicContact CG2-CB 4.24Å; K376-H420 VanDerWaalsContact CD-NE2 3.3Å; K376-H420 WeakPolarHBondContact CD-NE2 3.38Å; L377-H420 PolarHBondContact O-N 2.86Å; I378-H420 WeakPolarHBondContact CA-O 3.39Å; I378-H420 HydrophobicContact CG1-CB 4.17Å; I378-H420 HydrophobicContact CG2-CB 4.38Å; L379-H420 PolarHBondContact N-O 3.02Å; H420-A422 PolarHBondContact O-N 3.42Å
421L97.1Very high87.9Confident32 Ų3231.5 Ų31.517%0.16820%0.202CC..EExtended strand (participates in β ladder)trans-96.676.9172.3-51.2177.6000108.4L379 L399 I401 I404 L419L379-L421 HydrophobicContact CB-CD2 4.27Å; L379-L421 HydrophobicContact CD1-CD2 4Å; L379-L421 HydrophobicContact CG-CD2 4.46Å; L399-L421 HydrophobicContact CB-CD2 4.39Å; L399-L421 WeakPolarHBondContact O-CD1 3.39Å; I401-L421 HydrophobicContact CD1-CD1 4.17Å; I404-L421 HydrophobicContact CD1-CD1 3.43Å; I404-L421 VanDerWaalsContact CD1-CD1 3.43Å; I404-L421 HydrophobicContact CD1-CD2 3.24Å; I404-L421 HydrophobicContact CD1-CG 3.89Å; L419-L421 HydrophobicContact CD1-CD2 4.25Å; L419-L421 HydrophobicContact CD2-CD2 4.36Å; L419-L421 HydrophobicContact CG-CD2 4.13Å
422A97.1Very high89.9Confident1 Ų126.4 Ų26.41%0.00817%0.166CC..  trans-76.6151.2-170.900000112V85 I378 L379 I380 P381 G398 H420 C426V85-A422 HydrophobicContact CG1-CB 3.96Å; I378-A422 HydrophobicContact CG2-CB 3.98Å; L379-A422 PolarHBondContact O-N 3.34Å; I380-A422 HydrophobicContact CG1-CB 4.19Å; P381-A422 WeakPolarHBondContact CD-O 3.41Å; G398-A422 WeakPolarHBondContact CA-O 3.5Å; H420-A422 PolarHBondContact O-N 3.42Å; A422-C426 HydrophobicContact CB-CB 4Å
423S96.8Very high91.9Very high0 Ų023.3 Ų23.30%014%0.14CC..  trans-63171.6169.466.20000112.9D87 A88 R396 P425 C426D87-S423 WeakPolarHBondContact CA-OG 3.47Å; D87-S423 WeakPolarHBondContact OD1-CB 3.36Å; D87-S423 PolarHBondContact OD1-N 2.81Å; D87-S423 PolarHBondContact OD1-OG 2.83Å; A88-S423 WeakPolarHBondContact CB-OG 3.42Å; A88-S423 PolarHBondContact N-OG 3.1Å; R396-S423 CarbonylContact O-C 3.56Å; R396-S423 VanDerWaalsContact O-CA 3.24Å; R396-S423 WeakPolarHBondContact O-CA 3.37Å; R396-S423 WeakPolarHBondContact O-CB 3.25Å; S423-P425 CarbonylContact C-O 3.47Å; S423-P425 VanDerWaalsContact C-O 3.24Å; S423-P425 WeakPolarHBondContact CB-O 3.21Å; S423-P425 CarbonylContact O-C 3.41Å; S423-P425 PolarHBondContact OG-O 3.36Å; S423-C426 WeakPolarHBondContact O-CB 3.05Å
424N97Very high93.7Very high1 Ų121.9 Ų21.91%0.00513%0.13CC..BIsolated β-bridgetrans-129.5115.9170.3-179.218.7000110.8I380 P381 L394 P395 R396 F438 R439I380-N424 HydrophobicContact CG2-CB 3.83Å; P381-N424 HydrophobicContact CG-CB 4.19Å; P381-N424 WeakPolarHBondContact O-CB 3.24Å; P381-N424 PolarHBondContact O-ND2 2.88Å; L394-N424 WeakPolarHBondContact CD2-O 3.43Å; P395-N424 WeakPolarHBondContact CA-O 3.35Å; R396-N424 HydrophobicContact CB-CB 4.33Å; R396-N424 PolarHBondContact N-O 3.35Å; R396-N424 PolarHBondContact O-N 2.87Å; N424-F438 WeakPolarHBondContact OD1-CD2 3.45Å; N424-R439 PolarHBondContact ND2-O 2.96Å; N424-R439 PolarHBondContact OD1-N 3.22Å; N424-R439 PolarHBondContact OD1-O 3.06Å
425P98Very high94.9Very high1 Ų116.9 Ų16.91%0.00610%0.095CC..SBendcis-66.4170.9-3.730.4-36.4000112.2A88 S423 I437 F438 L529 L547A88-P425 WeakPolarHBondContact CB-O 3.18Å; S423-P425 CarbonylContact C-O 3.47Å; S423-P425 VanDerWaalsContact C-O 3.24Å; S423-P425 WeakPolarHBondContact CB-O 3.21Å; S423-P425 CarbonylContact O-C 3.41Å; S423-P425 PolarHBondContact OG-O 3.36Å; P425-I437 CarbonylContact C-O 3.53Å; P425-I437 WeakPolarHBondContact CA-O 3.33Å; P425-I437 VanDerWaalsContact CB-O 3.24Å; P425-I437 WeakPolarHBondContact CB-O 3.47Å; P425-F438 HydrophobicContact CB-CB 4.15Å; P425-F438 HydrophobicContact CB-CD2 3.83Å; P425-F438 HydrophobicContact CB-CG 4.3Å; P425-F438 HydrophobicContact CG-CD2 4.33Å; P425-L529 HydrophobicContact CB-CD1 3.81Å; P425-L529 HydrophobicContact CG-CD1 3.99Å; P425-L547 HydrophobicContact CG-CG 4.26Å
426C98.2Very high95.6Very high1 Ų115.1 Ų15.11%0.0078%0.083CC..EExtended strand (participates in β ladder)trans-136.5167.1164.866.40000110A422 S423 I437A422-C426 HydrophobicContact CB-CB 4Å; S423-C426 WeakPolarHBondContact O-CB 3.05Å; C426-I437 PolarHBondContact N-O 3.23Å; C426-I437 PolarHBondContact O-N 3.12Å
427R98.3Very high96.2Very high10 Ų1013.2 Ų13.24%0.0387%0.071CC..EExtended strand (participates in β ladder)trans-119.5142.6174.7-52.2-175.1172.1173.5-4.4110.2I86 V91 F258 I435 V436 S548I86-R427 WeakPolarHBondContact CA-O 3.17Å; I86-R427 HydrophobicContact CB-CB 4.05Å; I86-R427 WeakPolarHBondContact CB-O 3.37Å; I86-R427 HydrophobicContact CD1-CB 4.15Å; I86-R427 PolarHBondContact N-O 3.02Å; I86-R427 PolarHBondContact O-N 3.07Å; V91-R427 VanDerWaalsContact CG1-CZ 3.47Å; V91-R427 HydrophobicContact CG2-CG 4.38Å; F258-R427 HydrophobicContact CE1-CB 3.79Å; F258-R427 HydrophobicContact CE2-CB 4.33Å; F258-R427 HydrophobicContact CE2-CG 4.4Å; F258-R427 HydrophobicContact CZ-CB 3.6Å; F258-R427 HydrophobicContact CZ-CG 4.13Å; F258-R427 PolarHBondContact O-NH1 3.3Å; R427-I435 CarbonylContact C-O 3.53Å; R427-I435 WeakPolarHBondContact CA-O 3.49Å; R427-V436 HydrophobicContact CG-CG2 4.16Å; R427-S548 PolarHBondContact NH2-O 3.24Å
428L97.8Very high96.7Very high0 Ų07.9 Ų7.90%04%0.036CC..EExtended strand (participates in β ladder)trans-117.2140.5171.5-50-175.8000109.6L83 Y84 V85 F258 I323 I378 I435 I437L83-L428 HydrophobicContact CD1-CB 4.36Å; Y84-L428 VanDerWaalsContact O-CA 3.3Å; Y84-L428 WeakPolarHBondContact O-CA 3.23Å; V85-L428 HydrophobicContact CB-CD2 4.07Å; V85-L428 HydrophobicContact CG1-CD2 3.82Å; V85-L428 HydrophobicContact CG2-CD2 3.87Å; F258-L428 WeakPolarHBondContact CE1-O 3.5Å; I323-L428 HydrophobicContact CD1-CD1 3.73Å; I323-L428 HydrophobicContact CG1-CD1 4.33Å; I378-L428 HydrophobicContact CD1-CD1 3.97Å; I378-L428 HydrophobicContact CD1-CD2 3.93Å; L428-I435 HydrophobicContact CB-CB 4.21Å; L428-I435 PolarHBondContact N-O 2.89Å; L428-I435 PolarHBondContact O-N 3.11Å; L428-I437 HydrophobicContact CD1-CD1 3.51Å; L428-I437 HydrophobicContact CD1-CG1 4.48Å; L428-I437 HydrophobicContact CG-CD1 3.88Å; L428-I437 HydrophobicContact CG-CG1 4.47Å
429R95.5Very high96.9Very high5 Ų57.5 Ų7.52%0.0193%0.034CC..EExtended strand (participates in β ladder)trans-115.2116.2162.5172.8-176.9170174.4-4.8108.1L83 Y84 F258 L267 A269 D272 Y431 R433L83-R429 CarbonylContact C-O 3.48Å; L83-R429 WeakPolarHBondContact CA-O 3.45Å; Y84-R429 HydrophobicContact CD2-CB 4.19Å; Y84-R429 HydrophobicContact CD2-CG 4.15Å; Y84-R429 PolarHBondContact N-O 3.49Å; Y84-R429 PolarHBondContact O-N 2.99Å; F258-R429 HydrophobicContact CE1-CB 4.44Å; L267-R429 PolarHBondContact O-NH1 3.25Å; A269-R429 HydrophobicContact CB-CG 4.08Å; D272-R429 IonicContact OD2-NH2 3.3Å; D272-R429 PolarHBondContact OD2-NH2 2.9Å; R429-Y431 PolarHBondContact NE-O 3.24Å; R429-R433 CarbonylContact C-O 3.54Å; R429-R433 VanDerWaalsContact CA-O 3.32Å; R429-R433 WeakPolarHBondContact CA-O 3.48Å
430L95.6Very high96.6Very high0 Ų08 Ų80%04%0.038CC..EExtended strand (participates in β ladder)trans-115.1108.2175.6177.455.7000109.4V82 L83 L290 V320 T432 R433 P611V82-L430 HydrophobicContact CG2-CD1 4.48Å; V82-L430 CarbonylContact O-C 3.22Å; V82-L430 WeakPolarHBondContact O-CA 3.2Å; L83-L430 HydrophobicContact CB-CD1 4.29Å; L83-L430 HydrophobicContact CD1-CB 4.34Å; L290-L430 HydrophobicContact CD1-CD2 3.69Å; L290-L430 HydrophobicContact CD2-CD2 3.86Å; L290-L430 HydrophobicContact CG-CD2 3.53Å; V320-L430 HydrophobicContact CB-CD1 4.43Å; V320-L430 HydrophobicContact CG1-CD1 3.87Å; V320-L430 HydrophobicContact CG2-CD1 4.37Å; L430-T432 PolarHBondContact O-N 3.35Å; L430-R433 PolarHBondContact N-O 2.9Å; L430-R433 WeakPolarHBondContact O-CB 3.41Å; L430-R433 PolarHBondContact O-N 3.34Å; L430-P611 HydrophobicContact CD2-CB 3.99Å; L430-P611 HydrophobicContact CD2-CG 3.7Å; L430-P611 HydrophobicContact CG-CB 4.17Å; L430-P611 HydrophobicContact CG-CG 4.16Å
431Y93.8Very high96.3Very high11 Ų119.9 Ų9.94%0.0435%0.049CC..THydrogen-bonded Turntrans52.8-108.1-167.4-60.1-86000111.2V82 M275 L278 L279 A288 R429 P611V82-Y431 HydrophobicContact CB-CD1 4.09Å; V82-Y431 HydrophobicContact CB-CE1 3.78Å; V82-Y431 HydrophobicContact CB-CE2 4.24Å; V82-Y431 HydrophobicContact CB-CG 4.44Å; V82-Y431 HydrophobicContact CG1-CD1 3.92Å; V82-Y431 HydrophobicContact CG1-CE1 3.35Å; V82-Y431 PolarHBondContact O-N 3.22Å; M275-Y431 HydrophobicContact SD-CD1 4.25Å; L278-Y431 HydrophobicContact CB-CD1 4.34Å; L278-Y431 HydrophobicContact CB-CE1 4.26Å; L278-Y431 HydrophobicContact CD2-CD1 4.08Å; L278-Y431 HydrophobicContact CD2-CE1 3.58Å; L278-Y431 HydrophobicContact CG-CD1 4.22Å; L278-Y431 HydrophobicContact CG-CE1 3.66Å; L279-Y431 HydrophobicContact CB-CD1 4.17Å; L279-Y431 HydrophobicContact CB-CG 4.04Å; L279-Y431 HydrophobicContact CD1-CD2 3.71Å; L279-Y431 HydrophobicContact CD1-CE2 4.11Å; L279-Y431 HydrophobicContact CD1-CG 4.03Å; L279-Y431 HydrophobicContact CG-CG 4.46Å; A288-Y431 HydrophobicContact CB-CE2 3.7Å; R429-Y431 PolarHBondContact NE-O 3.24Å; Y431-P611 HydrophobicContact CD2-CG 4.49Å
432T94.3Very high96Very high7 Ų78.5 Ų8.54%0.0434%0.042CC..THydrogen-bonded Turntrans-104.69178.361.30000112.8A269 M275 H276 L430A269-T432 WeakPolarHBondContact O-CA 3.15Å; A269-T432 VanDerWaalsContact O-CB 3.27Å; A269-T432 WeakPolarHBondContact O-CB 3.24Å; A269-T432 VanDerWaalsContact O-CG2 3.25Å; A269-T432 WeakPolarHBondContact O-CG2 3.21Å; M275-T432 HydrophobicContact CB-CG2 3.84Å; H276-T432 HydrophobicContact CB-CG2 3.88Å; H276-T432 VanDerWaalsContact N-CG2 3.33Å; L430-T432 PolarHBondContact O-N 3.35Å
433R96.1Very high95.7Very high31 Ų318.5 Ų8.512%0.1174%0.042CC..EExtended strand (participates in β ladder)trans-101.8124.2-179.1-54-55.9176.8-137.25.2110.8R429 L430 N554 Y609 P611 E614R429-R433 CarbonylContact C-O 3.54Å; R429-R433 VanDerWaalsContact CA-O 3.32Å; R429-R433 WeakPolarHBondContact CA-O 3.48Å; L430-R433 PolarHBondContact N-O 2.9Å; L430-R433 WeakPolarHBondContact O-CB 3.41Å; L430-R433 PolarHBondContact O-N 3.34Å; R433-N554 WeakPolarHBondContact CA-OD1 3.24Å; R433-Y609 HydrophobicContact CB-CE1 4.47Å; R433-Y609 WeakPolarHBondContact CG-OH 3.27Å; R433-P611 HydrophobicContact CG-CB 3.73Å; R433-P611 PolarHBondContact NE-O 3.05Å; R433-P611 PolarHBondContact NH2-O 3.17Å; R433-E614 IonicContact CZ-OE1 2.69Å; R433-E614 IonicContact NE-OE1 2.81Å; R433-E614 PolarHBondContact NE-OE1 3.25Å; R433-E614 IonicContact NH1-OE1 2.73Å; R433-E614 PolarHBondContact NH1-OE1 3.29Å; R433-E614 IonicContact NH2-OE1 3.09Å; R433-E614 PolarHBondContact NH2-OE1 3.49Å
434E97.3Very high95.4Very high1 Ų115.4 Ų15.41%0.0057%0.068CC..EExtended strand (participates in β ladder)trans-98.2125.5173.9-71.3179.8-172.200108.9R249 F258 A269 P553 N554 L555R249-E434 IonicContact CZ-OE1 2.73Å; R249-E434 IonicContact CZ-OE2 2.95Å; R249-E434 IonicContact NH1-OE1 3.51Å; R249-E434 PolarHBondContact NH1-OE1 3.35Å; R249-E434 IonicContact NH1-OE2 3.3Å; R249-E434 PolarHBondContact NH1-OE2 2.96Å; R249-E434 VanDerWaalsContact NH2-CD 3.28Å; R249-E434 IonicContact NH2-OE1 3.57Å; R249-E434 PolarHBondContact NH2-OE1 2.83Å; R249-E434 IonicContact NH2-OE2 3.28Å; R249-E434 PolarHBondContact NH2-OE2 3.03Å; F258-E434 VanDerWaalsContact CB-CD 3.48Å; F258-E434 HydrophobicContact CB-CG 4.34Å; F258-E434 WeakPolarHBondContact CB-OE1 3.44Å; F258-E434 HydrophobicContact CD1-CB 4.19Å; F258-E434 HydrophobicContact CD1-CG 3.65Å; F258-E434 HydrophobicContact CD2-CB 3.97Å; F258-E434 HydrophobicContact CD2-CG 3.95Å; F258-E434 WeakPolarHBondContact CD2-OE2 3.47Å; F258-E434 HydrophobicContact CE1-CB 3.86Å; F258-E434 HydrophobicContact CE1-CG 3.78Å; F258-E434 HydrophobicContact CE2-CB 3.65Å; F258-E434 HydrophobicContact CE2-CG 4.1Å; F258-E434 HydrophobicContact CG-CB 4.22Å; F258-E434 HydrophobicContact CG-CG 3.72Å; F258-E434 WeakPolarHBondContact CG-OE2 3.3Å; F258-E434 HydrophobicContact CZ-CB 3.56Å; F258-E434 HydrophobicContact CZ-CG 3.99Å; A269-E434 HydrophobicContact CB-CG 3.68Å; E434-P553 HydrophobicContact CB-CB 4.22Å; E434-P553 WeakPolarHBondContact O-CB 3.49Å; E434-N554 PolarHBondContact N-OD1 3.22Å; E434-N554 WeakPolarHBondContact O-CB 3.44Å; E434-N554 PolarHBondContact O-N 3.48Å; E434-L555 PolarHBondContact O-N 3.27Å
435I98.6Very high95.2Very high0 Ų017.8 Ų17.80%08%0.081CC..EExtended strand (participates in β ladder)trans-128.6133.5-175.6-51.1174.3000108.3L290 R427 L428 I437 L555 I557 Y609L290-I435 HydrophobicContact CD1-CD1 3.54Å; R427-I435 CarbonylContact C-O 3.53Å; R427-I435 WeakPolarHBondContact CA-O 3.49Å; L428-I435 HydrophobicContact CB-CB 4.21Å; L428-I435 PolarHBondContact N-O 2.89Å; L428-I435 PolarHBondContact O-N 3.11Å; I435-I437 HydrophobicContact CG2-CG1 4.18Å; I435-L555 CarbonylContact C-O 3.58Å; I435-L555 VanDerWaalsContact CA-O 3.27Å; I435-L555 WeakPolarHBondContact CA-O 3.47Å; I435-L555 HydrophobicContact CD1-CD2 4.47Å; I435-L555 HydrophobicContact CG1-CB 4.23Å; I435-L555 HydrophobicContact CG2-CB 4.15Å; I435-L555 HydrophobicContact CG2-CD2 4.06Å; I435-L555 HydrophobicContact CG2-CG 4.18Å; I435-I557 HydrophobicContact CG2-CD1 3.75Å; I435-I557 HydrophobicContact CG2-CG1 3.92Å; I435-Y609 HydrophobicContact CD1-CD1 3.93Å; I435-Y609 HydrophobicContact CD1-CE1 3.71Å; I435-Y609 HydrophobicContact CG1-CE1 4.5Å
436V98.8Very high94.9Very high2 Ų217.8 Ų17.81%0.0128%0.08CC..EExtended strand (participates in β ladder)trans-112.7130.4173.3-179.80000108.6F258 R427 L529 L549 P553 L555 V556 I557F258-V436 HydrophobicContact CE2-CG2 3.97Å; F258-V436 HydrophobicContact CZ-CG2 4.27Å; R427-V436 HydrophobicContact CG-CG2 4.16Å; V436-L529 HydrophobicContact CG1-CD1 3.8Å; V436-L529 HydrophobicContact CG1-CD2 4.34Å; V436-L529 HydrophobicContact CG1-CG 4.46Å; V436-L549 HydrophobicContact CB-CD2 4.11Å; V436-L549 HydrophobicContact CG1-CD2 4.02Å; V436-L549 HydrophobicContact CG2-CD2 3.97Å; V436-P553 HydrophobicContact CB-CG 4.38Å; V436-P553 HydrophobicContact CG2-CB 3.95Å; V436-P553 HydrophobicContact CG2-CG 3.79Å; V436-L555 PolarHBondContact N-O 2.73Å; V436-V556 HydrophobicContact CB-CG2 4.42Å; V436-V556 CarbonylContact O-C 3.46Å; V436-V556 WeakPolarHBondContact O-CA 3.46Å; V436-I557 PolarHBondContact O-N 3.29Å
437I98.7Very high94.6Very high0 Ų018.9 Ų18.90%09%0.087CC..EExtended strand (participates in β ladder)trans-116.6128-179.2-47-176.6000108.8I323 I380 P425 C426 L428 I435 I557 I559I323-I437 HydrophobicContact CD1-CD1 3.73Å; I323-I437 HydrophobicContact CG1-CD1 4.26Å; I323-I437 HydrophobicContact CG2-CD1 3.96Å; I380-I437 HydrophobicContact CD1-CB 3.83Å; I380-I437 HydrophobicContact CD1-CD1 3.93Å; I380-I437 HydrophobicContact CD1-CG1 4.48Å; I380-I437 HydrophobicContact CD1-CG2 3.39Å; P425-I437 CarbonylContact C-O 3.53Å; P425-I437 WeakPolarHBondContact CA-O 3.33Å; P425-I437 VanDerWaalsContact CB-O 3.24Å; P425-I437 WeakPolarHBondContact CB-O 3.47Å; C426-I437 PolarHBondContact N-O 3.23Å; C426-I437 PolarHBondContact O-N 3.12Å; L428-I437 HydrophobicContact CD1-CD1 3.51Å; L428-I437 HydrophobicContact CD1-CG1 4.48Å; L428-I437 HydrophobicContact CG-CD1 3.88Å; L428-I437 HydrophobicContact CG-CG1 4.47Å; I435-I437 HydrophobicContact CG2-CG1 4.18Å; I437-I557 HydrophobicContact CB-CB 4.5Å; I437-I557 HydrophobicContact CD1-CD1 4.16Å; I437-I557 HydrophobicContact CG1-CB 4.28Å; I437-I557 HydrophobicContact CG1-CD1 4.07Å; I437-I557 HydrophobicContact CG1-CG1 4.41Å; I437-I557 HydrophobicContact CG2-CB 4.17Å; I437-I557 HydrophobicContact CG2-CG2 4.37Å; I437-I559 HydrophobicContact CG2-CD1 3.89Å
438F97.9Very high94.3Very high0 Ų028.2 Ų28.20%012%0.122CC..EExtended strand (participates in β ladder)trans-139.6107.1-176.4-176.6-143.4000110.1L394 N424 P425 V440 Y442 L529 I557 A558 I559L394-F438 HydrophobicContact CD1-CE2 3.63Å; L394-F438 HydrophobicContact CD1-CZ 3.59Å; L394-F438 HydrophobicContact CD2-CE2 3.93Å; L394-F438 HydrophobicContact CG-CE2 4.45Å; N424-F438 WeakPolarHBondContact OD1-CD2 3.45Å; P425-F438 HydrophobicContact CB-CB 4.15Å; P425-F438 HydrophobicContact CB-CD2 3.83Å; P425-F438 HydrophobicContact CB-CG 4.3Å; P425-F438 HydrophobicContact CG-CD2 4.33Å; F438-V440 HydrophobicContact CD1-CB 4.05Å; F438-V440 HydrophobicContact CD1-CG1 3.63Å; F438-V440 HydrophobicContact CD2-CB 4.3Å; F438-V440 HydrophobicContact CE1-CB 3.65Å; F438-V440 HydrophobicContact CE1-CG1 3.47Å; F438-V440 VanDerWaalsContact CE1-CG1 3.47Å; F438-V440 HydrophobicContact CE1-CG2 3.89Å; F438-V440 HydrophobicContact CE2-CB 3.89Å; F438-V440 HydrophobicContact CE2-CG2 4.19Å; F438-V440 HydrophobicContact CG-CB 4.38Å; F438-V440 HydrophobicContact CG-CG1 4.26Å; F438-V440 HydrophobicContact CZ-CB 3.55Å; F438-V440 HydrophobicContact CZ-CG1 3.96Å; F438-V440 HydrophobicContact CZ-CG2 3.55Å; F438-Y442 HydrophobicContact CD1-CE2 4.43Å; F438-Y442 HydrophobicContact CE1-CD2 4.2Å; F438-Y442 HydrophobicContact CE1-CE2 4.04Å; F438-L529 HydrophobicContact CB-CD1 3.86Å; F438-L529 HydrophobicContact CB-CD2 4.05Å; F438-L529 HydrophobicContact CD1-CB 3.81Å; F438-L529 HydrophobicContact CD1-CD1 4.05Å; F438-L529 HydrophobicContact CD1-CD2 3.93Å; F438-L529 HydrophobicContact CD1-CG 4.17Å; F438-L529 HydrophobicContact CD2-CD1 4.4Å; F438-L529 HydrophobicContact CE1-CB 3.9Å; F438-L529 HydrophobicContact CG-CB 4.45Å; F438-L529 HydrophobicContact CG-CD1 3.87Å; F438-L529 HydrophobicContact CG-CD2 4.3Å; F438-L529 HydrophobicContact CG-CG 4.46Å; F438-I557 PolarHBondContact N-O 3.2Å; F438-A558 CarbonylContact O-C 3.56Å; F438-A558 WeakPolarHBondContact O-CA 3.43Å; F438-I559 PolarHBondContact O-N 2.77Å
439R96Very high94.1Very high2 Ų230.5 Ų30.51%0.00813%0.133CC..EExtended strand (participates in β ladder)trans-88.1113.4175.1-167.7-46.9-176-163.2-7.1107.8E295 G326 I380 P383 N424 N441 I559E295-R439 IonicContact OE2-CZ 2.83Å; E295-R439 IonicContact OE2-NE 2.71Å; E295-R439 IonicContact OE2-NH2 3.81Å; E295-R439 PolarHBondContact OE2-NH2 3.1Å; G326-R439 WeakPolarHBondContact O-CD 3.49Å; G326-R439 WeakPolarHBondContact O-CG 3.46Å; G326-R439 PolarHBondContact O-NE 3.43Å; I380-R439 HydrophobicContact CG2-CB 4.35Å; P383-R439 VanDerWaalsContact CD-NH1 3.31Å; N424-R439 PolarHBondContact ND2-O 2.96Å; N424-R439 PolarHBondContact OD1-N 3.22Å; N424-R439 PolarHBondContact OD1-O 3.06Å; R439-N441 VanDerWaalsContact NH1-CG 3.25Å; R439-N441 PolarHBondContact NH1-OD1 2.81Å; R439-N441 PolarHBondContact NH2-OD1 3.02Å; R439-I559 HydrophobicContact CB-CB 4.32Å; R439-I559 HydrophobicContact CG-CB 4.22Å; R439-I559 HydrophobicContact CG-CG2 4.38Å
440V90.2Very high93.9Very high17 Ų1731.2 Ų31.210%0.10314%0.138CC..  trans-150.5155-17669.10000112.8F438 Y442 I559 E560F438-V440 HydrophobicContact CD1-CB 4.05Å; F438-V440 HydrophobicContact CD1-CG1 3.63Å; F438-V440 HydrophobicContact CD2-CB 4.3Å; F438-V440 HydrophobicContact CE1-CB 3.65Å; F438-V440 HydrophobicContact CE1-CG1 3.47Å; F438-V440 VanDerWaalsContact CE1-CG1 3.47Å; F438-V440 HydrophobicContact CE1-CG2 3.89Å; F438-V440 HydrophobicContact CE2-CB 3.89Å; F438-V440 HydrophobicContact CE2-CG2 4.19Å; F438-V440 HydrophobicContact CG-CB 4.38Å; F438-V440 HydrophobicContact CG-CG1 4.26Å; F438-V440 HydrophobicContact CZ-CB 3.55Å; F438-V440 HydrophobicContact CZ-CG1 3.96Å; F438-V440 HydrophobicContact CZ-CG2 3.55Å; V440-Y442 HydrophobicContact CB-CD1 4.48Å; V440-Y442 HydrophobicContact CB-CG 4.33Å; V440-Y442 HydrophobicContact CG1-CD1 3.35Å; V440-Y442 HydrophobicContact CG1-CD2 3.77Å; V440-Y442 HydrophobicContact CG1-CE1 3.51Å; V440-Y442 HydrophobicContact CG1-CE2 3.9Å; V440-Y442 HydrophobicContact CG1-CG 3.49Å; V440-Y442 VanDerWaalsContact CG1-CG 3.49Å; V440-Y442 HydrophobicContact CG2-CD2 4.26Å; V440-Y442 HydrophobicContact CG2-CG 3.93Å; V440-I559 PolarHBondContact N-O 3.11Å; V440-E560 WeakPolarHBondContact O-CA 3.25Å; V440-E560 WeakPolarHBondContact O-CB 3.37Å
441N90.3Very high93.7Very high85 Ų8532.5 Ų32.546%0.45515%0.145SC..  trans-111.996.7166.3-65.4-22.7000107.4R439 P561R439-N441 VanDerWaalsContact NH1-CG 3.25Å; R439-N441 PolarHBondContact NH1-OD1 2.81Å; R439-N441 PolarHBondContact NH2-OD1 3.02Å; N441-P561 VanDerWaalsContact OD1-CD 3.26Å; N441-P561 WeakPolarHBondContact OD1-CD 3.41Å
442Y89.5Confident93.4Very high3 Ų334.8 Ų34.81%0.01216%0.156CC..  trans-146.9-14.6-166.572.8-20.8000116.3F438 V440 R444 L445 L446 L523 L529 L530 A558 E560F438-Y442 HydrophobicContact CD1-CE2 4.43Å; F438-Y442 HydrophobicContact CE1-CD2 4.2Å; F438-Y442 HydrophobicContact CE1-CE2 4.04Å; V440-Y442 HydrophobicContact CB-CD1 4.48Å; V440-Y442 HydrophobicContact CB-CG 4.33Å; V440-Y442 HydrophobicContact CG1-CD1 3.35Å; V440-Y442 HydrophobicContact CG1-CD2 3.77Å; V440-Y442 HydrophobicContact CG1-CE1 3.51Å; V440-Y442 HydrophobicContact CG1-CE2 3.9Å; V440-Y442 HydrophobicContact CG1-CG 3.49Å; V440-Y442 VanDerWaalsContact CG1-CG 3.49Å; V440-Y442 HydrophobicContact CG2-CD2 4.26Å; V440-Y442 HydrophobicContact CG2-CG 3.93Å; Y442-R444 PolarHBondContact O-N 3.47Å; Y442-L445 WeakPolarHBondContact O-CA 3.03Å; Y442-L445 WeakPolarHBondContact O-CB 3.15Å; Y442-L445 PolarHBondContact O-N 3.4Å; Y442-L446 HydrophobicContact CD2-CD1 3.63Å; Y442-L446 HydrophobicContact CD2-CG 4.37Å; Y442-L446 HydrophobicContact CE2-CD1 3.82Å; Y442-L446 HydrophobicContact CG-CD1 4.01Å; Y442-L446 WeakPolarHBondContact O-CG 3.25Å; Y442-L446 PolarHBondContact O-N 3.35Å; Y442-L523 HydrophobicContact CE2-CD2 4.27Å; Y442-L523 WeakPolarHBondContact OH-CD1 3.41Å; Y442-L529 WeakPolarHBondContact CE2-O 3.45Å; Y442-L530 HydrophobicContact CD2-CD1 4.1Å; Y442-A558 WeakPolarHBondContact OH-CB 3.45Å; Y442-E560 PolarHBondContact N-OE1 3.36Å
443S90.2Very high93.1Very high1 Ų138.7 Ų38.71%0.00718%0.176CC..Hα-helixtrans-62.8-40-176.454.50000110.4L445 L446 V447 E560 L564S443-L445 VanDerWaalsContact C-N 3.32Å; S443-L445 PolarHBondContact O-N 3Å; S443-L446 PolarHBondContact O-N 2.98Å; S443-V447 WeakPolarHBondContact O-CB 3.46Å; S443-V447 VanDerWaalsContact O-CG2 3.23Å; S443-V447 WeakPolarHBondContact O-CG2 3.13Å; S443-V447 PolarHBondContact O-N 3.2Å; S443-E560 WeakPolarHBondContact CB-OE2 3.38Å; S443-E560 PolarHBondContact N-OE1 2.91Å; S443-E560 PolarHBondContact N-OE2 2.83Å; S443-E560 PolarHBondContact OG-OE1 3.04Å; S443-E560 PolarHBondContact OG-OE2 2.85Å; S443-L564 PolarHBondContact OG-N 3.04Å
444R91.6Very high92.5Very high145 Ų14537.6 Ų37.655%0.54717%0.173SC..Hα-helixtrans-61.4-37.8171.8-63.7-180-173.7-86.60.2112.7Y442 R448 L564Y442-R444 PolarHBondContact O-N 3.47Å; R444-R448 WeakPolarHBondContact O-CB 3.36Å; R444-R448 PolarHBondContact O-N 3.3Å; R444-L564 HydrophobicContact CG-CB 3.88Å; R444-L564 HydrophobicContact CG-CD2 4.2Å
445L92.2Very high91.6Very high52 Ų5240.3 Ų40.327%0.27219%0.19SC..Hα-helixtrans-69.3-48179.4-173.965.7000110.9Y442 S443 V447 R448 H449 L532 I536 A537Y442-L445 WeakPolarHBondContact O-CA 3.03Å; Y442-L445 WeakPolarHBondContact O-CB 3.15Å; Y442-L445 PolarHBondContact O-N 3.4Å; S443-L445 VanDerWaalsContact C-N 3.32Å; S443-L445 PolarHBondContact O-N 3Å; L445-V447 VanDerWaalsContact C-N 3.34Å; L445-V447 PolarHBondContact O-N 2.97Å; L445-R448 PolarHBondContact O-N 3.44Å; L445-H449 PolarHBondContact O-CD2 3.14Å; L445-H449 VanDerWaalsContact O-CD2 3.31Å; L445-H449 PolarHBondContact O-N 2.8Å; L445-H449 VanDerWaalsContact O-N 3.07Å; L445-L532 HydrophobicContact CD2-CD1 3.68Å; L445-L532 HydrophobicContact CG-CD1 3.89Å; L445-I536 HydrophobicContact CD1-CG2 3.8Å; L445-I536 HydrophobicContact CD2-CG2 4.12Å; L445-I536 HydrophobicContact CG-CG2 4.02Å; L445-A537 HydrophobicContact CD2-CB 4.35Å
446L92.8Very high90.1Very high0 Ų042.8 Ų42.80%020%0.203CC..Hα-helixtrans-60.2-44.5176.5-67.4165.7000111.2L214 P216 Y442 S443 H449 C450 L519 P531 L532L214-L446 HydrophobicContact CD2-CB 3.59Å; P216-L446 HydrophobicContact CB-CD2 4.17Å; P216-L446 HydrophobicContact CG-CD2 3.8Å; Y442-L446 HydrophobicContact CD2-CD1 3.63Å; Y442-L446 HydrophobicContact CD2-CG 4.37Å; Y442-L446 HydrophobicContact CE2-CD1 3.82Å; Y442-L446 HydrophobicContact CG-CD1 4.01Å; Y442-L446 WeakPolarHBondContact O-CG 3.25Å; Y442-L446 PolarHBondContact O-N 3.35Å; S443-L446 PolarHBondContact O-N 2.98Å; L446-H449 PolarHBondContact O-N 3.19Å; L446-C450 PolarHBondContact O-N 3.41Å; L446-C450 VanDerWaalsContact O-N 3.14Å; L446-L519 HydrophobicContact CD1-CD1 3.52Å; L446-P531 HydrophobicContact CD2-CG 4.13Å; L446-L532 HydrophobicContact CD2-CD1 3.73Å; L446-L532 HydrophobicContact CD2-CD2 4.02Å; L446-L532 HydrophobicContact CD2-CG 3.64Å; L446-L532 HydrophobicContact CG-CD1 4.3Å
447V91.7Very high88.1Confident25 Ų2548.9 Ų48.915%0.15224%0.235CC..Hα-helixtrans-65.3-41.5177.3168.50000111.7L214 S443 L445 H449 C450 L453 L564L214-V447 HydrophobicContact CD1-CG2 4.06Å; L214-V447 HydrophobicContact CD2-CG2 4.25Å; S443-V447 WeakPolarHBondContact O-CB 3.46Å; S443-V447 VanDerWaalsContact O-CG2 3.23Å; S443-V447 WeakPolarHBondContact O-CG2 3.13Å; S443-V447 PolarHBondContact O-N 3.2Å; L445-V447 VanDerWaalsContact C-N 3.34Å; L445-V447 PolarHBondContact O-N 2.97Å; V447-H449 VanDerWaalsContact C-N 3.31Å; V447-H449 PolarHBondContact O-N 3.41Å; V447-C450 WeakPolarHBondContact O-CB 3.36Å; V447-C450 PolarHBondContact O-N 2.96Å; V447-L453 HydrophobicContact CG1-CD1 3.65Å; V447-L564 HydrophobicContact CB-CD2 3.94Å; V447-L564 HydrophobicContact CG1-CD2 3.86Å; V447-L564 HydrophobicContact CG2-CD2 3.99Å
448R92.1Very high86Confident206 Ų20651.6 Ų51.678%0.77725%0.25SC*.Hα-helixtrans-61.1-38.8177.7175.5179.6177.3157.51112.7R444 L445 C450R444-R448 WeakPolarHBondContact O-CB 3.36Å; R444-R448 PolarHBondContact O-N 3.3Å; L445-R448 PolarHBondContact O-N 3.44Å; R448-C450 VanDerWaalsContact C-N 3.31Å
449H92.1Very high83.8Confident47 Ų4753.8 Ų53.822%0.21826%0.261CS..THydrogen-bonded Turntrans-91.99.3179.7-71.9-84000112.8P216 E217 L445 L446 V447 L532 I536P216-H449 CarbonylContact C-O 3.59Å; P216-H449 WeakPolarHBondContact CA-O 3.39Å; E217-H449 HydrophobicContact CB-CB 4.39Å; E217-H449 PolarHBondContact N-O 2.95Å; E217-H449 IonicContact OE2-ND1 3.95Å; L445-H449 PolarHBondContact O-CD2 3.14Å; L445-H449 VanDerWaalsContact O-CD2 3.31Å; L445-H449 PolarHBondContact O-N 2.8Å; L445-H449 VanDerWaalsContact O-N 3.07Å; L446-H449 PolarHBondContact O-N 3.19Å; V447-H449 VanDerWaalsContact C-N 3.31Å; V447-H449 PolarHBondContact O-N 3.41Å; H449-L532 HydrophobicContact CB-CD2 4.12Å; H449-I536 HydrophobicContact CB-CD1 4.41Å; H449-I536 WeakPolarHBondContact ND1-CD1 3.48Å; H449-I536 WeakPolarHBondContact NE2-CG2 3.15Å
450C91.7Very high81.2Confident20 Ų2058.7 Ų58.714%0.13529%0.287CS..BIsolated β-bridgetrans-71.1130.2178.7-156.20000111L214 L215 L446 V447 R448 H452L214-C450 HydrophobicContact CD1-CB 4.02Å; L214-C450 WeakPolarHBondContact CD1-SG 3.4Å; L215-C450 VanDerWaalsContact C-SG 3.56Å; L215-C450 PolarHBondContact N-SG 3.33Å; L215-C450 WeakPolarHBondContact O-CA 3.37Å; L215-C450 PolarHBondContact O-SG 3.22Å; L446-C450 PolarHBondContact O-N 3.41Å; L446-C450 VanDerWaalsContact O-N 3.14Å; V447-C450 WeakPolarHBondContact O-CB 3.36Å; V447-C450 PolarHBondContact O-N 2.96Å; R448-C450 VanDerWaalsContact C-N 3.31Å; C450-H452 PolarHBondContact O-N 3.32Å; C450-H452 PolarHBondContact SG-O 3.41Å
451I91.2Very high78.8Confident28 Ų2861.3 Ų61.314%0.14431%0.307CS..SBendtrans-64.3-34.8179.4-62.2150.4000110.7I184 W192 L205 F210 L215I184-I451 HydrophobicContact CB-CD1 3.67Å; I184-I451 HydrophobicContact CD1-CD1 3.41Å; I184-I451 VanDerWaalsContact CD1-CD1 3.41Å; I184-I451 HydrophobicContact CG1-CD1 4.17Å; I184-I451 HydrophobicContact CG2-CD1 3.34Å; I184-I451 HydrophobicContact CG2-CG1 4.26Å; W192-I451 HydrophobicContact CD2-CG1 4.47Å; W192-I451 HydrophobicContact CD2-CG2 4.4Å; W192-I451 HydrophobicContact CE3-CG1 4.12Å; W192-I451 HydrophobicContact CH2-CB 4.42Å; W192-I451 HydrophobicContact CH2-CG1 3.52Å; W192-I451 HydrophobicContact CZ2-CB 4.34Å; W192-I451 HydrophobicContact CZ2-CG1 3.89Å; W192-I451 HydrophobicContact CZ2-CG2 4.2Å; W192-I451 HydrophobicContact CZ3-CD1 4.25Å; W192-I451 HydrophobicContact CZ3-CG1 3.64Å; L205-I451 HydrophobicContact CD1-CG2 3.82Å; F210-I451 HydrophobicContact CE1-CB 4.49Å; F210-I451 HydrophobicContact CE1-CG2 3.93Å; F210-I451 HydrophobicContact CZ-CG2 4.06Å; L215-I451 HydrophobicContact CB-CD1 4.45Å; L215-I451 WeakPolarHBondContact O-CD1 3.32Å; L215-I451 PolarHBondContact O-N 3.14Å
452H89Confident76.6Confident59 Ų5960.4 Ų60.427%0.27330%0.297SS..SBendtrans-143.8122.9176.7175-81.3000109.2F210 C450 P454F210-H452 HydrophobicContact CB-CB 4.37Å; F210-H452 HydrophobicContact CD1-CB 3.36Å; F210-H452 AromaticContact CD1-CG 3.86Å; F210-H452 HydrophobicContact CD2-CB 3.84Å; F210-H452 AromaticContact CD2-CD2 3.54Å; F210-H452 AromaticContact CD2-CG 3.62Å; F210-H452 HydrophobicContact CE1-CB 3.43Å; F210-H452 VanDerWaalsContact CE1-CB 3.43Å; F210-H452 HydrophobicContact CE2-CB 3.9Å; F210-H452 AromaticContact CE2-CD2 3.92Å; F210-H452 HydrophobicContact CG-CB 3.58Å; F210-H452 AromaticContact CG-CD2 3.92Å; F210-H452 AromaticContact CG-CG 3.51Å; F210-H452 AromaticContact CG-ND1 3.91Å; F210-H452 HydrophobicContact CZ-CB 3.71Å; C450-H452 PolarHBondContact O-N 3.32Å; C450-H452 PolarHBondContact SG-O 3.41Å; H452-P454 WeakPolarHBondContact O-CD 3.31Å
453L87.4Confident73.9Confident89 Ų8963.4 Ų63.447%0.46632%0.316SS..  trans-75121.3178.6-17663000110.1V447 T455 L515V447-L453 HydrophobicContact CG1-CD1 3.65Å; L453-T455 PolarHBondContact O-N 2.92Å; L453-L515 HydrophobicContact CD1-CD2 4.19Å
454P83.7Confident70.9Confident7 Ų770 Ų705%0.04535%0.346CS..  trans-63.5124.9176.1-22.535.3000110.9G213 L214 H452 Y514 C518G213-P454 VanDerWaalsContact O-CG 3.3Å; G213-P454 WeakPolarHBondContact O-CG 3.49Å; L214-P454 HydrophobicContact CD1-CG 4.3Å; H452-P454 WeakPolarHBondContact O-CD 3.31Å; P454-Y514 HydrophobicContact CB-CD1 4.34Å; P454-Y514 HydrophobicContact CB-CE1 3.58Å; P454-C518 HydrophobicContact CG-CB 4.29Å
455T77.1Confident68Low59 Ų5967.3 Ų67.336%0.36235%0.346SS..  trans-110.5145.4175.953.90000110.1L453 N457 N458L453-T455 PolarHBondContact O-N 2.92Å; T455-N457 PolarHBondContact O-N 3.47Å; T455-N458 PolarHBondContact O-N 2.65Å
456L68Low65Low51 Ų5168.7 Ų68.727%0.26736%0.36SS..THydrogen-bonded Turntrans-63.3-33.1-179.7-172.463.6000111.8N458 L459 Y514L456-N458 PolarHBondContact O-N 3.02Å; L456-L459 WeakPolarHBondContact O-CB 3.45Å; L456-L459 PolarHBondContact O-N 3.15Å; L456-Y514 HydrophobicContact CD1-CG 4.28Å
457N57.4Low61.9Low130 Ų13075.1 Ų75.170%0.69539%0.391SS*.THydrogen-bonded Turntrans-60.8-28.5-178.6-61.48.7000113.1T455 L459 D460T455-N457 PolarHBondContact O-N 3.47Å; N457-L459 PolarHBondContact O-N 3.21Å; N457-D460 PolarHBondContact O-N 3.34Å
458N54.2Low58.7Low58 Ų5879 Ų7931%0.3141%0.411SS..Hα-helixtrans-67.6-15.6178-75.8-0.2000112.3T455 L456 S461 Y462T455-N458 PolarHBondContact O-N 2.65Å; L456-N458 PolarHBondContact O-N 3.02Å; N458-S461 PolarHBondContact O-OG 2.96Å; N458-Y462 WeakPolarHBondContact O-CD2 3.38Å; N458-Y462 WeakPolarHBondContact O-CE2 3.45Å
459L51.7Low55.8Low46 Ų4676 Ų7624%0.24141%0.408CS..Hα-helixtrans-74.6-30.8-178.9-140.877.8000112.6L456 N457 S461 Y462 V463 Y508 Y514L456-L459 WeakPolarHBondContact O-CB 3.45Å; L456-L459 PolarHBondContact O-N 3.15Å; N457-L459 PolarHBondContact O-N 3.21Å; L459-S461 VanDerWaalsContact C-N 3.28Å; L459-S461 PolarHBondContact O-N 3.16Å; L459-Y462 PolarHBondContact O-N 3.07Å; L459-Y462 VanDerWaalsContact O-N 3.13Å; L459-V463 PolarHBondContact O-N 3.05Å; L459-Y508 HydrophobicContact CD2-CD2 4.23Å; L459-Y508 HydrophobicContact CD2-CE2 4.36Å; L459-Y514 HydrophobicContact CD1-CE2 3.92Å
460D41.9Very low52.7Low104 Ų10482.2 Ų82.256%0.55644%0.438SS*.Hα-helixtrans-65.3-33.1-177.9-70-28.9000111.5N457 Y462N457-D460 PolarHBondContact O-N 3.34Å; D460-Y462 PolarHBondContact O-N 3.43Å
461S39.6Very low49.4Very low73 Ų7385.8 Ų85.851%0.5146%0.463SS..Hα-helixtrans-74.1-20.8175.555.20000114.2N458 L459 T465N458-S461 PolarHBondContact O-OG 2.96Å; L459-S461 VanDerWaalsContact C-N 3.28Å; L459-S461 PolarHBondContact O-N 3.16Å; S461-T465 PolarHBondContact O-OG1 3.49Å
462Y43.3Very low46.3Very low65 Ų6589.3 Ų89.326%0.25549%0.49SS..Hα-helixtrans-82.7-28.6177.4-75.5-70.3000113.3V209 F210 N458 L459 D460 T465 S466V209-Y462 WeakPolarHBondContact CG1-OH 3.44Å; F210-Y462 PolarHBondContact O-OH 3.08Å; N458-Y462 WeakPolarHBondContact O-CD2 3.38Å; N458-Y462 WeakPolarHBondContact O-CE2 3.45Å; L459-Y462 PolarHBondContact O-N 3.07Å; L459-Y462 VanDerWaalsContact O-N 3.13Å; D460-Y462 PolarHBondContact O-N 3.43Å; Y462-T465 PolarHBondContact O-OG1 2.96Å; Y462-S466 PolarHBondContact O-N 3.07Å; Y462-S466 PolarHBondContact O-OG 2.9Å
463V33.2Very low43.1Very low66 Ų6693.1 Ų93.140%0.452%0.517SS..Hα-helixtrans-72.2-40.4-179.4-179.60000110.9L459 T465 S466 E467L459-V463 PolarHBondContact O-N 3.05Å; V463-T465 VanDerWaalsContact C-N 3.27Å; V463-T465 PolarHBondContact O-N 3.24Å; V463-S466 PolarHBondContact O-N 2.95Å; V463-E467 HydrophobicContact CG1-CG 4.44Å; V463-E467 PolarHBondContact O-N 3.38Å; V463-E467 VanDerWaalsContact O-N 3.14Å
464E27.1Very low40Very low139 Ų13994.2 Ų94.265%0.6553%0.532SS*.Hα-helixtrans-65.1-29.2178.6-69.8-174.5171.300113.1N468E464-N468 WeakPolarHBondContact O-CB 3.23Å; E464-N468 VanDerWaalsContact O-CG 3.28Å; E464-N468 PolarHBondContact O-N 2.65Å; E464-N468 PolarHBondContact O-ND2 3.2Å
465T30.1Very low37.3Very low89 Ų89106 Ų10655%0.54658%0.576SS.*Hα-helixtrans-81.2-24.1177.7390000113.3S461 Y462 V463S461-T465 PolarHBondContact O-OG1 3.49Å; Y462-T465 PolarHBondContact O-OG1 2.96Å; V463-T465 VanDerWaalsContact C-N 3.27Å; V463-T465 PolarHBondContact O-N 3.24Å
466S29.6Very low34.7Very low81 Ų81111.7 Ų111.757%0.56660%0.599SS**Hα-helixtrans-83.3-36.2178.5-530000112.2Y462 V463Y462-S466 PolarHBondContact O-N 3.07Å; Y462-S466 PolarHBondContact O-OG 2.9Å; V463-S466 PolarHBondContact O-N 2.95Å
467E28Very low32.7Very low136 Ų136116 Ų11664%0.63662%0.622SS**Hα-helixtrans-76.7-28178.7-69-173.417100113V463 I469 E470V463-E467 HydrophobicContact CG1-CG 4.44Å; V463-E467 PolarHBondContact O-N 3.38Å; V463-E467 VanDerWaalsContact O-N 3.14Å; E467-I469 VanDerWaalsContact C-N 3.26Å; E467-I469 PolarHBondContact O-N 3.21Å; E467-E470 PolarHBondContact O-N 3.45Å
468N25.4Very low31Very low107 Ų107114.1 Ų114.157%0.57262%0.619SS**THydrogen-bonded Turntrans-75.3-10.5-178.2-79.9-37.3000114.7E464 E470E464-N468 WeakPolarHBondContact O-CB 3.23Å; E464-N468 VanDerWaalsContact O-CG 3.28Å; E464-N468 PolarHBondContact O-N 2.65Å; E464-N468 PolarHBondContact O-ND2 3.2Å; N468-E470 VanDerWaalsContact C-N 3.29Å
469I29.8Very low29.7Very low142 Ų142119.9 Ų119.973%0.72864%0.644SS**THydrogen-bonded Turntrans-77.7-18.1173.7-63.9175.2000111.2E467E467-I469 VanDerWaalsContact C-N 3.26Å; E467-I469 PolarHBondContact O-N 3.21Å
470E26.6Very low28.5Very low178 Ų178124 Ų12483%0.83267%0.671SS**SBendtrans-100.9-1.7-173.2-67.5-167.6163.400115.8E467 N468E467-E470 PolarHBondContact O-N 3.45Å; N468-E470 VanDerWaalsContact C-N 3.29Å
471S23.6Very low27.5Very low95 Ų95123.4 Ų123.466%0.66468%0.681SS**SBendtrans-128.611.4-171.660.50000118
472S24.8Very low27.2Very low101 Ų101126.8 Ų126.871%0.70670%0.698SS**  trans-11362175.9570000113.6
473T23.2Very low26.2Very low139 Ų139130.7 Ų130.785%0.85372%0.723SS**  trans-124.879.6166.147.30000110.9
474S21.9Very low26.3Very low112 Ų112136.5 Ų136.578%0.78375%0.749SS**  trans-156.292.9159.562.60000109.4
475R27Very low26.2Very low254 Ų254136.6 Ų136.696%0.95875%0.754SS**  trans-158.2125.4150.8-107.6163.8-163.4-173.85.1110.2
476E21.8Very low26Very low180 Ų180137.2 Ų137.284%0.84176%0.761SS**  trans-70.1138.8-174.2-60.5154.6148.400111.3
477N26.1Very low25.9Very low140 Ų140142.3 Ų142.375%0.74978%0.776SS**  172.7111.4128-91.6-28.4000108
478S22.4Very low25.6Very low92 Ų92139.8 Ų139.864%0.64379%0.786SS**  66.299.493-49.50000111.2
479E26Very low25.7Very low178 Ų178140.8 Ų140.883%0.83280%0.796SS**  165.3130.8119.1-88.7172-168.900113.6
480T27.4Very low25.4Very low132 Ų132139.1 Ų139.181%0.8180%0.803SS**  trans74.498.9151.758.30000119.4
481A21.8Very low25.4Very low92 Ų92136.7 Ų136.776%0.7680%0.801SS**  trans-64.2143.2158.900000112
482V32.5Very low25.4Very low144 Ų144138.6 Ų138.687%0.87381%0.809SS**  trans-135.4115.6148.6-173.30000107.2
483D22.5Very low25.3Very low147 Ų147139.5 Ų139.579%0.78682%0.815SS**  trans-55.8136.3173.5-75-51.6000111.5
484M34Very low25.3Very low189 Ų189137.8 Ų137.893%0.93181%0.809SS**  trans-138.4113.4151.5-144.5171.371.400110.6
485D25.9Very low25.3Very low141 Ų141138 Ų13875%0.75481%0.811SS**  trans-42.6139.7178.4-77.4-48.2000117.9
486S24.9Very low25.1Very low102 Ų102131.6 Ų131.671%0.71380%0.799SS**  80.1132.1124.1-60.30000122.4
487E29.2Very low25.1Very low188 Ų188128 Ų12888%0.87979%0.792SS**  trans114.594.1146.5-57.5-147.6157.900116
488G21.8Very low24.9Very low82 Ų82126.6 Ų126.685%0.84579%0.793SS**  trans-72.1130.2172.500000112
489V27.1Very low24.9Very low129 Ų129129.3 Ų129.378%0.78280%0.799SS**  trans-115.9115.6156.8178.10000107.2T491V489-T491 PolarHBondContact O-N 3.41Å; V489-T491 VanDerWaalsContact O-N 3.12Å
490A23.1Very low24.7Very low106 Ų106129.1 Ų129.188%0.87680%0.795SS**  trans-69.3100.3178.900000110.3
491T26.6Very low24.5Very low128 Ų128130.3 Ų130.379%0.78579%0.792SS**  trans-100.6113.9167.2-12.50000109.2V489 S493V489-T491 PolarHBondContact O-N 3.41Å; V489-T491 VanDerWaalsContact O-N 3.12Å; T491-S493 PolarHBondContact O-N 3.36Å
492T23.5Very low24.6Very low135 Ų135133.4 Ų133.483%0.82879%0.79SS**  trans-40.6121.3175.937.80000113.4S494T492-S494 PolarHBondContact O-N 2.61Å; T492-S494 VanDerWaalsContact O-N 3.12Å
493S21.8Very low24.4Very low120 Ų120132 Ų13284%0.83978%0.782SS**  trans-64.499.617352.30000111.3T491T491-S493 PolarHBondContact O-N 3.36Å
494S23.6Very low24.7Very low103 Ų103129.9 Ų129.972%0.7277%0.774SS**  trans-87.1107.4156.962.30000108.1T492 T496T492-S494 PolarHBondContact O-N 2.61Å; T492-S494 VanDerWaalsContact O-N 3.12Å; S494-T496 PolarHBondContact O-N 2.77Å
495S22.9Very low25.2Very low117 Ų117126 Ų12682%0.81877%0.765SS**  trans-62.793.417552.40000110.5
496T21.6Very low26.2Very low118 Ų118126.2 Ų126.272%0.72476%0.76SS**  trans-76.3123.5165.7-42.30000107.5S494 S498S494-T496 PolarHBondContact O-N 2.77Å; T496-S498 PolarHBondContact O-N 3.15Å
497P22.5Very low28Very low105 Ų105129.8 Ų129.868%0.68276%0.763SS**  trans-65.8124.2-176.725.8-31.1000109.3I499P497-I499 PolarHBondContact O-N 2.88Å
498S21.8Very low29.6Very low110 Ų110123.5 Ų123.577%0.76973%0.731SS**  trans-59.699.4172.9-28.10000108.3T496 K500T496-S498 PolarHBondContact O-N 3.15Å; S498-K500 PolarHBondContact O-N 2.98Å
499I23.4Very low31.9Very low149 Ų149128.3 Ų128.376%0.76473%0.729SS**  trans-70.790.8167.9-61.9175.6000105.7P497 Q501P497-I499 PolarHBondContact O-N 2.88Å; I499-Q501 PolarHBondContact O-N 3.12Å
500K21.8Very low34.7Very low174 Ų174125.2 Ų125.276%0.75771%0.71SS**  trans-58.9104166.4-71-177.5176.3-176.50106.8S498 H502S498-K500 PolarHBondContact O-N 2.98Å; K500-H502 VanDerWaalsContact C-N 3.31Å; K500-H502 PolarHBondContact O-N 3.47Å
501Q23.3Very low37.8Very low158 Ų158123.8 Ų123.874%0.73869%0.691SS**  trans-66.395.2172.1-70.2-177.7-300107.4I499 T503I499-Q501 PolarHBondContact O-N 3.12Å; Q501-T503 PolarHBondContact O-N 3.25Å
502H23.9Very low40.9Very low157 Ų157121.7 Ų121.773%0.72768%0.675SS**  trans-68.787.3164.2-93.1-81.4000107.5K500 T504K500-H502 VanDerWaalsContact C-N 3.31Å; K500-H502 PolarHBondContact O-N 3.47Å; H502-T504 HydrophobicContact CB-CG2 4.3Å; H502-T504 PolarHBondContact O-N 3.44Å
503T26.6Very low44.2Very low114 Ų114117.7 Ų117.770%0.69965%0.647SS**  trans-69.574.4157.149.60000107.1Q501 S505Q501-T503 PolarHBondContact O-N 3.25Å; T503-S505 PolarHBondContact O-N 2.84Å
504T30.2Very low47.6Very low103 Ų103112.3 Ų112.363%0.63261%0.608SS**  trans-69.390.4165.153.20000106.4H502 K506H502-T504 HydrophobicContact CB-CG2 4.3Å; H502-T504 PolarHBondContact O-N 3.44Å; T504-K506 PolarHBondContact O-N 2.95Å
505S43.8Very low50.9Low106 Ų106108.1 Ų108.174%0.74158%0.577SS**  trans-61.785.7171.5-600000108.2T503 K507T503-S505 PolarHBondContact O-N 2.84Å; S505-K507 PolarHBondContact O-N 3.3Å
506K47.9Very low54.3Low146 Ų146102.5 Ų102.564%0.63554%0.538SS*.  trans-59.9112.6169.7-83.6-177.9176.3175.90106.8T504 Y508T504-K506 PolarHBondContact O-N 2.95Å; K506-Y508 PolarHBondContact O-N 2.94Å; K506-Y508 VanDerWaalsContact O-N 3.17Å
507K60.8Low57.7Low178 Ų17897.3 Ų97.377%0.77451%0.506SS*.  trans-58.2118.3165.9-88.6-174.1172-175.30108.1S505S505-K507 PolarHBondContact O-N 3.3Å
508Y63.2Low61.2Low55 Ų5592.3 Ų92.322%0.21647%0.473CS..  trans-65136.2175.4-58.6-74.2000109.5L459 K506 E513 Y514 Q517L459-Y508 HydrophobicContact CD2-CD2 4.23Å; L459-Y508 HydrophobicContact CD2-CE2 4.36Å; K506-Y508 PolarHBondContact O-N 2.94Å; K506-Y508 VanDerWaalsContact O-N 3.17Å; Y508-E513 HydrophobicContact CD1-CB 4.45Å; Y508-Y514 AromaticContact CD2-CD2 3.77Å; Y508-Y514 HydrophobicContact CD2-CD2 3.77Å; Y508-Y514 AromaticContact CE2-CD2 3.92Å; Y508-Y514 HydrophobicContact CE2-CD2 3.92Å; Y508-Y514 HydrophobicContact CE2-CE2 4.46Å; Y508-Y514 HydrophobicContact CG-CD2 4.42Å; Y508-Q517 HydrophobicContact CE1-CB 4.25Å; Y508-Q517 WeakPolarHBondContact OH-CG 3.35Å
509K69.8Low64.7Low183 Ų18387.2 Ų87.280%0.79644%0.437SS*.SBendtrans-86.5-28-175.3-64.8179.9179.7179.40111.8E513K509-E513 PolarHBondContact N-OE2 3Å
510T86.5Confident68.1Low65 Ų6580.1 Ų80.140%0.39940%0.401SS..SBendtrans-136.9153.9-174.670.10000112.6N512 E513 Y514T510-N512 PolarHBondContact O-N 2.74Å; T510-E513 PolarHBondContact N-OE2 3.26Å; T510-E513 PolarHBondContact O-N 3.4Å; T510-E513 VanDerWaalsContact OG1-CG 3.28Å; T510-E513 WeakPolarHBondContact OG1-CG 3.33Å; T510-E513 PolarHBondContact OG1-N 3.3Å; T510-Y514 PolarHBondContact O-N 3.3Å
511T89.2Confident71.6Confident75 Ų7574 Ų7446%0.4637%0.373SS..Hα-helixtrans-56.9-36.8174.1-50.70000112.2Y514 L515T511-Y514 PolarHBondContact O-N 3.14Å; T511-L515 HydrophobicContact CG2-CD1 4.31Å; T511-L515 HydrophobicContact CG2-CG 4.48Å; T511-L515 WeakPolarHBondContact O-CB 3.37Å; T511-L515 WeakPolarHBondContact O-CG 3.48Å; T511-L515 PolarHBondContact O-N 3.29Å
512N90.7Very high75.1Confident84 Ų8466.5 Ų66.545%0.44934%0.338SS..Hα-helixtrans-68.5-36.4-178.4-64.6-11.6000112.3T510 G516 N566T510-N512 PolarHBondContact O-N 2.74Å; N512-G516 PolarHBondContact O-N 3.37Å; N512-N566 HydrophobicContact CB-CB 4.49Å; N512-N566 PolarHBondContact O-N 2.84Å
513E93.2Very high78.5Confident52 Ų5259 Ų5924%0.24330%0.304CS..Hα-helixtrans-65.4-45.3173.8-71.4173.7160.800111.2Y508 K509 T510 L515 G516 Q517 A569Y508-E513 HydrophobicContact CD1-CB 4.45Å; K509-E513 PolarHBondContact N-OE2 3Å; T510-E513 PolarHBondContact N-OE2 3.26Å; T510-E513 PolarHBondContact O-N 3.4Å; T510-E513 VanDerWaalsContact OG1-CG 3.28Å; T510-E513 WeakPolarHBondContact OG1-CG 3.33Å; T510-E513 PolarHBondContact OG1-N 3.3Å; E513-L515 PolarHBondContact O-N 3.21Å; E513-G516 WeakPolarHBondContact O-CA 3.34Å; E513-G516 PolarHBondContact O-N 3.13Å; E513-G516 VanDerWaalsContact O-N 3.07Å; E513-Q517 PolarHBondContact O-N 3.02Å; E513-A569 HydrophobicContact CB-CB 3.62Å; E513-A569 HydrophobicContact CG-CB 3.71Å
514Y92.7Very high81.9Confident7 Ų753.6 Ų53.63%0.02727%0.27CS..Hα-helixtrans-62.7-42.6177.1-179.7-118.4000112.1E212 P454 L456 L459 Y508 T510 T511 G516 Q517 C518E212-Y514 HydrophobicContact CG-CE2 4.27Å; P454-Y514 HydrophobicContact CB-CD1 4.34Å; P454-Y514 HydrophobicContact CB-CE1 3.58Å; L456-Y514 HydrophobicContact CD1-CG 4.28Å; L459-Y514 HydrophobicContact CD1-CE2 3.92Å; Y508-Y514 AromaticContact CD2-CD2 3.77Å; Y508-Y514 HydrophobicContact CD2-CD2 3.77Å; Y508-Y514 AromaticContact CE2-CD2 3.92Å; Y508-Y514 HydrophobicContact CE2-CD2 3.92Å; Y508-Y514 HydrophobicContact CE2-CE2 4.46Å; Y508-Y514 HydrophobicContact CG-CD2 4.42Å; T510-Y514 PolarHBondContact O-N 3.3Å; T511-Y514 PolarHBondContact O-N 3.14Å; Y514-G516 PolarHBondContact O-N 3.37Å; Y514-Q517 PolarHBondContact O-N 3.2Å; Y514-C518 PolarHBondContact O-N 3.16Å; Y514-C518 PolarHBondContact O-SG 3.46Å
515L93.1Very high85Confident14 Ų1448.8 Ų48.87%0.07324%0.241CC..Hα-helixtrans-60.6-35.9172.2-75175.2000112L453 T511 E513 C518 L519 A565L453-L515 HydrophobicContact CD1-CD2 4.19Å; T511-L515 HydrophobicContact CG2-CD1 4.31Å; T511-L515 HydrophobicContact CG2-CG 4.48Å; T511-L515 WeakPolarHBondContact O-CB 3.37Å; T511-L515 WeakPolarHBondContact O-CG 3.48Å; T511-L515 PolarHBondContact O-N 3.29Å; E513-L515 PolarHBondContact O-N 3.21Å; L515-C518 PolarHBondContact O-N 3.2Å; L515-L519 WeakPolarHBondContact O-CB 3.28Å; L515-L519 PolarHBondContact O-N 2.77Å; L515-A565 HydrophobicContact CB-CB 3.84Å
516G94.1Very high87.6Confident0 Ų044.4 Ų44.40%021%0.208CC..Hα-helixtrans-60.1-45.5174.100000113.3N512 E513 Y514 L519 A520 N566N512-G516 PolarHBondContact O-N 3.37Å; E513-G516 WeakPolarHBondContact O-CA 3.34Å; E513-G516 PolarHBondContact O-N 3.13Å; E513-G516 VanDerWaalsContact O-N 3.07Å; Y514-G516 PolarHBondContact O-N 3.37Å; G516-L519 PolarHBondContact O-N 3.03Å; G516-A520 PolarHBondContact O-N 3.38Å; G516-N566 WeakPolarHBondContact CA-O 3.27Å
517Q93.5Very high89.9Confident8 Ų837.5 Ų37.54%0.03718%0.179CC..Hα-helixtrans-62.8-46.5173.5179.867.118.800111.5E212 Y508 E513 Y514 L519 A520 R521 Q571E212-Q517 WeakPolarHBondContact OE1-CG 3.18Å; Y508-Q517 HydrophobicContact CE1-CB 4.25Å; Y508-Q517 WeakPolarHBondContact OH-CG 3.35Å; E513-Q517 PolarHBondContact O-N 3.02Å; Y514-Q517 PolarHBondContact O-N 3.2Å; Q517-L519 VanDerWaalsContact C-N 3.27Å; Q517-L519 PolarHBondContact O-N 3.37Å; Q517-A520 PolarHBondContact O-N 2.76Å; Q517-R521 PolarHBondContact O-N 3.49Å; Q517-Q571 VanDerWaalsContact OE1-N 3.1Å
518C94.8Very high91.6Very high0 Ų029.3 Ų29.30%014%0.143CC..Hα-helixtrans-59.8-38.1178.4-70.10000112.1L214 P454 Y514 L515 C522L214-C518 HydrophobicContact CB-CB 4.41Å; L214-C518 PolarHBondContact N-O 3.33Å; P454-C518 HydrophobicContact CG-CB 4.29Å; Y514-C518 PolarHBondContact O-N 3.16Å; Y514-C518 PolarHBondContact O-SG 3.46Å; L515-C518 PolarHBondContact O-N 3.2Å; C518-C522 WeakPolarHBondContact O-CB 3.47Å; C518-C522 PolarHBondContact O-N 3.49Å
519L95.2Very high93.2Very high3 Ų326.7 Ų26.72%0.01613%0.133CC..Hα-helixtrans-66.9-47.7175.9177.558.8000111.6L214 L446 L515 G516 Q517 R521 C522 L523 A565 L567L214-L519 HydrophobicContact CD2-CD1 4.38Å; L446-L519 HydrophobicContact CD1-CD1 3.52Å; L515-L519 WeakPolarHBondContact O-CB 3.28Å; L515-L519 PolarHBondContact O-N 2.77Å; G516-L519 PolarHBondContact O-N 3.03Å; Q517-L519 VanDerWaalsContact C-N 3.27Å; Q517-L519 PolarHBondContact O-N 3.37Å; L519-R521 VanDerWaalsContact C-N 3.31Å; L519-R521 PolarHBondContact O-N 3.45Å; L519-C522 WeakPolarHBondContact O-CB 3.49Å; L519-C522 PolarHBondContact O-N 3.37Å; L519-L523 HydrophobicContact CD1-CD1 4.22Å; L519-L523 HydrophobicContact CD1-CD2 4.42Å; L519-L523 HydrophobicContact CD1-CG 4.12Å; L519-L523 HydrophobicContact CG-CD1 4.28Å; L519-L523 WeakPolarHBondContact O-CG 3.38Å; L519-L523 PolarHBondContact O-N 3Å; L519-A565 HydrophobicContact CB-CB 4.32Å; L519-A565 HydrophobicContact CD2-CB 3.97Å; L519-L567 HydrophobicContact CB-CD1 4.35Å; L519-L567 HydrophobicContact CD2-CD1 4.18Å; L519-L567 HydrophobicContact CG-CD1 4.11Å
520A96Very high94.4Very high0 Ų018.3 Ų18.30%010%0.097CC..Hα-helixtrans-58.2-44.617700000111.8G516 Q517 C522 L523 A524 L567 S570 T577 F582G516-A520 PolarHBondContact O-N 3.38Å; Q517-A520 PolarHBondContact O-N 2.76Å; A520-C522 PolarHBondContact O-N 2.85Å; A520-L523 PolarHBondContact O-N 3.46Å; A520-A524 WeakPolarHBondContact O-CB 3.38Å; A520-A524 PolarHBondContact O-N 3.34Å; A520-L567 HydrophobicContact CB-CD1 3.87Å; A520-S570 VanDerWaalsContact CB-CB 3.5Å; A520-T577 HydrophobicContact CB-CG2 4.19Å; A520-F582 HydrophobicContact CB-CB 4.12Å; A520-F582 HydrophobicContact CB-CD2 3.88Å; A520-F582 HydrophobicContact CB-CG 4Å
521R95.5Very high94.7Very high47 Ų4715.3 Ų15.318%0.1778%0.079CC..Hα-helixtrans-60.8-43.3175.6-173175.2175.2160.7-5.5111.8E212 L239 Q517 L519 S525E212-R521 WeakPolarHBondContact O-CD 3.18Å; E212-R521 PolarHBondContact O-NE 2.95Å; E212-R521 VanDerWaalsContact O-NE 3.12Å; E212-R521 IonicContact OE2-CZ 2.63Å; E212-R521 IonicContact OE2-NH1 3.39Å; E212-R521 PolarHBondContact OE2-NH1 3.46Å; L239-R521 HydrophobicContact CD1-CB 4.42Å; L239-R521 HydrophobicContact CD1-CG 3.9Å; Q517-R521 PolarHBondContact O-N 3.49Å; L519-R521 VanDerWaalsContact C-N 3.31Å; L519-R521 PolarHBondContact O-N 3.45Å; R521-S525 WeakPolarHBondContact O-CB 3.38Å; R521-S525 PolarHBondContact O-N 3.49Å
522C96Very high94.9Very high0 Ų011.8 Ų11.80%06%0.057CC..Hα-helixtrans-56.7-56.3175.3-178.30000111.4L214 L239 C518 L519 A520 A524 S525 Q526L214-C522 HydrophobicContact CB-CB 3.93Å; L214-C522 WeakPolarHBondContact O-CB 3.46Å; L214-C522 PolarHBondContact O-SG 3.37Å; L239-C522 HydrophobicContact CD1-CB 4.22Å; C518-C522 WeakPolarHBondContact O-CB 3.47Å; C518-C522 PolarHBondContact O-N 3.49Å; L519-C522 WeakPolarHBondContact O-CB 3.49Å; L519-C522 PolarHBondContact O-N 3.37Å; A520-C522 PolarHBondContact O-N 2.85Å; C522-A524 VanDerWaalsContact C-N 3.34Å; C522-A524 PolarHBondContact O-N 3.08Å; C522-S525 PolarHBondContact O-N 2.93Å; C522-Q526 VanDerWaalsContact O-CB 3.25Å; C522-Q526 WeakPolarHBondContact O-CB 3.29Å; C522-Q526 WeakPolarHBondContact O-CG 3.31Å; C522-Q526 PolarHBondContact O-N 2.9Å
523L96.4Very high94.9Very high0 Ų08.6 Ų8.60%04%0.04CC..Hα-helixtrans-61.3-41.3-176.6-61.2174.6000112.6Y442 L519 A520 A527 H528 P531 L549 F582Y442-L523 HydrophobicContact CE2-CD2 4.27Å; Y442-L523 WeakPolarHBondContact OH-CD1 3.41Å; L519-L523 HydrophobicContact CD1-CD1 4.22Å; L519-L523 HydrophobicContact CD1-CD2 4.42Å; L519-L523 HydrophobicContact CD1-CG 4.12Å; L519-L523 HydrophobicContact CG-CD1 4.28Å; L519-L523 WeakPolarHBondContact O-CG 3.38Å; L519-L523 PolarHBondContact O-N 3Å; A520-L523 PolarHBondContact O-N 3.46Å; L523-A527 PolarHBondContact O-N 3.19Å; L523-A527 VanDerWaalsContact O-N 3.15Å; L523-H528 PolarHBondContact O-N 2.92Å; L523-P531 HydrophobicContact CD2-CG 4.46Å; L523-L549 HydrophobicContact CB-CD1 4.45Å; L523-F582 HydrophobicContact CB-CD1 4.48Å; L523-F582 HydrophobicContact CB-CE1 3.68Å; L523-F582 HydrophobicContact CB-CZ 4.14Å; L523-F582 HydrophobicContact CD1-CD1 4.01Å; L523-F582 HydrophobicContact CD1-CE1 3.94Å; L523-F582 HydrophobicContact CG-CE1 4.49Å
524A97.1Very high94.7Very high0 Ų06.8 Ų6.80%04%0.035CC..Hα-helixtrans-68.5-46.7179.900000112.3R139 C242 A520 C522 A527 L552 T577 F582R139-A524 PolarHBondContact NH1-O 3.34Å; C242-A524 VanDerWaalsContact SG-C 3.54Å; C242-A524 VanDerWaalsContact SG-CB 3.58Å; A520-A524 WeakPolarHBondContact O-CB 3.38Å; A520-A524 PolarHBondContact O-N 3.34Å; C522-A524 VanDerWaalsContact C-N 3.34Å; C522-A524 PolarHBondContact O-N 3.08Å; A524-A527 PolarHBondContact O-N 3.32Å; A524-A527 VanDerWaalsContact O-N 3.16Å; A524-L552 HydrophobicContact CB-CD1 4.35Å; A524-L552 HydrophobicContact CB-CD2 4.18Å; A524-T577 HydrophobicContact CB-CG2 4.41Å; A524-F582 HydrophobicContact CB-CE2 3.98Å; A524-F582 HydrophobicContact CB-CZ 3.9Å
525S96.5Very high94.3Very high2 Ų213.2 Ų13.21%0.0147%0.065CC..Hα-helixtrans-63.3-45.9179.61730000111.6L239 P240 C242 R521 C522 A527L239-S525 WeakPolarHBondContact CB-OG 3.3Å; P240-S525 WeakPolarHBondContact CD-OG 3.38Å; P240-S525 VanDerWaalsContact CG-OG 3.25Å; P240-S525 WeakPolarHBondContact CG-OG 3.17Å; P240-S525 WeakPolarHBondContact O-CB 3.28Å; P240-S525 PolarHBondContact O-OG 3.17Å; C242-S525 PolarHBondContact SG-N 2.88Å; C242-S525 VanDerWaalsContact SG-N 3.38Å; R521-S525 WeakPolarHBondContact O-CB 3.38Å; R521-S525 PolarHBondContact O-N 3.49Å; C522-S525 PolarHBondContact O-N 2.93Å; S525-A527 PolarHBondContact O-N 3.12Å
526Q96.8Very high94.2Very high13 Ų1313.9 Ų13.96%0.0617%0.069CC..THydrogen-bonded Turntrans-72.4-9.6177.8-62.3-57.6-60.800113.2I220 L239 C522 H528 P531I220-Q526 PolarHBondContact O-NE2 2.8Å; L239-Q526 HydrophobicContact CD2-CG 4.35Å; L239-Q526 VanDerWaalsContact CD2-NE2 3.3Å; C522-Q526 VanDerWaalsContact O-CB 3.25Å; C522-Q526 WeakPolarHBondContact O-CB 3.29Å; C522-Q526 WeakPolarHBondContact O-CG 3.31Å; C522-Q526 PolarHBondContact O-N 2.9Å; Q526-H528 WeakPolarHBondContact O-CB 3.48Å; Q526-H528 PolarHBondContact O-N 2.89Å; Q526-H528 VanDerWaalsContact O-N 3.12Å; Q526-P531 HydrophobicContact CB-CB 3.73Å; Q526-P531 HydrophobicContact CB-CG 4.31Å; Q526-P531 HydrophobicContact CG-CB 3.64Å; Q526-P531 HydrophobicContact CG-CG 4.15Å
527A96.8Very high94Very high2 Ų214.4 Ų14.42%0.0177%0.073CC..THydrogen-bonded Turntrans53.131.6-176.900000113.2V135 L523 A524 S525 S548 L549 N550V135-A527 HydrophobicContact CG1-CB 4.13Å; L523-A527 PolarHBondContact O-N 3.19Å; L523-A527 VanDerWaalsContact O-N 3.15Å; A524-A527 PolarHBondContact O-N 3.32Å; A524-A527 VanDerWaalsContact O-N 3.16Å; S525-A527 PolarHBondContact O-N 3.12Å; A527-S548 PolarHBondContact O-OG 3.36Å; A527-L549 PolarHBondContact O-N 3.36Å; A527-N550 HydrophobicContact CB-CB 4.17Å
528H97.1Very high93.8Very high6 Ų616.4 Ų16.43%0.0289%0.087CC..BIsolated β-bridgetrans-154.4136.2-167.9-156.2-93.1000111.4R132 L523 Q526 L530 D544 L547R132-H528 VanDerWaalsContact CZ-CE1 3.47Å; R132-H528 PolarHBondContact NH2-CE1 3.48Å; L523-H528 PolarHBondContact O-N 2.92Å; Q526-H528 WeakPolarHBondContact O-CB 3.48Å; Q526-H528 PolarHBondContact O-N 2.89Å; Q526-H528 VanDerWaalsContact O-N 3.12Å; H528-L530 VanDerWaalsContact ND1-C 3.33Å; H528-L530 PolarHBondContact ND1-N 3.03Å; H528-L530 VanDerWaalsContact ND1-N 3.13Å; H528-L530 PolarHBondContact ND1-O 3.47Å; H528-L530 PolarHBondContact O-N 3.12Å; H528-D544 IonicContact CE1-OD1 2.74Å; H528-D544 PolarHBondContact NE2-O 2.75Å; H528-D544 IonicContact NE2-OD1 2.67Å; H528-D544 PolarHBondContact NE2-OD1 2.69Å; H528-D544 IonicContact NE2-OD2 3.51Å; H528-L547 WeakPolarHBondContact CE1-CB 3.18Å; H528-L547 WeakPolarHBondContact NE2-CB 3.36Å
529L96.5Very high93.6Very high0 Ų016.8 Ų16.80%09%0.089CC..SBendtrans-68.1-22.5178.8-73.5172.3000113.4P425 V436 F438 Y442 L547 L549 V556P425-L529 HydrophobicContact CB-CD1 3.81Å; P425-L529 HydrophobicContact CG-CD1 3.99Å; V436-L529 HydrophobicContact CG1-CD1 3.8Å; V436-L529 HydrophobicContact CG1-CD2 4.34Å; V436-L529 HydrophobicContact CG1-CG 4.46Å; F438-L529 HydrophobicContact CB-CD1 3.86Å; F438-L529 HydrophobicContact CB-CD2 4.05Å; F438-L529 HydrophobicContact CD1-CB 3.81Å; F438-L529 HydrophobicContact CD1-CD1 4.05Å; F438-L529 HydrophobicContact CD1-CD2 3.93Å; F438-L529 HydrophobicContact CD1-CG 4.17Å; F438-L529 HydrophobicContact CD2-CD1 4.4Å; F438-L529 HydrophobicContact CE1-CB 3.9Å; F438-L529 HydrophobicContact CG-CB 4.45Å; F438-L529 HydrophobicContact CG-CD1 3.87Å; F438-L529 HydrophobicContact CG-CD2 4.3Å; F438-L529 HydrophobicContact CG-CG 4.46Å; Y442-L529 WeakPolarHBondContact CE2-O 3.45Å; L529-L547 HydrophobicContact CB-CB 4.29Å; L529-L547 WeakPolarHBondContact CG-O 3.27Å; L529-L547 PolarHBondContact N-O 2.91Å; L529-L549 HydrophobicContact CD2-CD1 4.03Å; L529-L549 HydrophobicContact CD2-CD2 3.94Å; L529-L549 HydrophobicContact CD2-CG 4.28Å; L529-L549 HydrophobicContact CG-CD1 4.32Å; L529-L549 HydrophobicContact CG-CD2 3.94Å; L529-L549 HydrophobicContact CG-CG 4.13Å; L529-V556 HydrophobicContact CD2-CG1 3.85Å
530L94.3Very high93.2Very high7 Ų717.7 Ų17.74%0.0379%0.092CC..  trans-139.575.3-174.2-165.865.5000110.9R132 L394 Y442 H528 L532 A537 V539 L547R132-L530 PolarHBondContact NH1-O 2.98Å; L394-L530 HydrophobicContact CD1-CD2 3.86Å; Y442-L530 HydrophobicContact CD2-CD1 4.1Å; H528-L530 VanDerWaalsContact ND1-C 3.33Å; H528-L530 PolarHBondContact ND1-N 3.03Å; H528-L530 VanDerWaalsContact ND1-N 3.13Å; H528-L530 PolarHBondContact ND1-O 3.47Å; H528-L530 PolarHBondContact O-N 3.12Å; L530-L532 HydrophobicContact CD1-CD1 3.99Å; L530-L532 PolarHBondContact O-N 2.89Å; L530-A537 HydrophobicContact CD1-CB 4.09Å; L530-A537 HydrophobicContact CD2-CB 3.71Å; L530-A537 HydrophobicContact CG-CB 3.94Å; L530-V539 HydrophobicContact CD2-CG1 4.03Å; L530-L547 HydrophobicContact CB-CD2 3.81Å; L530-L547 HydrophobicContact CD2-CD2 4.05Å
531P93.8Very high92.8Very high2 Ų219.6 Ų19.61%0.01310%0.1CC..  trans-79.161.6-178.834-35.7000111.2P216 L446 L523 Q526P216-P531 HydrophobicContact CG-CG 4.35Å; P216-P531 WeakPolarHBondContact CG-O 3.3Å; L446-P531 HydrophobicContact CD2-CG 4.13Å; L523-P531 HydrophobicContact CD2-CG 4.46Å; Q526-P531 HydrophobicContact CB-CB 3.73Å; Q526-P531 HydrophobicContact CB-CG 4.31Å; Q526-P531 HydrophobicContact CG-CB 3.64Å; Q526-P531 HydrophobicContact CG-CG 4.15Å
532L93.3Very high92.2Very high1 Ų119.8 Ų19.81%0.00510%0.101CC..SBendtrans-128.5159.2178.3-73.1167.2000109.9R132 P216 L445 L446 H449 L530 I536 A537R132-L532 PolarHBondContact NH1-O 3.1Å; P216-L532 HydrophobicContact CB-CD2 3.76Å; L445-L532 HydrophobicContact CD2-CD1 3.68Å; L445-L532 HydrophobicContact CG-CD1 3.89Å; L446-L532 HydrophobicContact CD2-CD1 3.73Å; L446-L532 HydrophobicContact CD2-CD2 4.02Å; L446-L532 HydrophobicContact CD2-CG 3.64Å; L446-L532 HydrophobicContact CG-CD1 4.3Å; H449-L532 HydrophobicContact CB-CD2 4.12Å; L530-L532 HydrophobicContact CD1-CD1 3.99Å; L530-L532 PolarHBondContact O-N 2.89Å; L532-I536 HydrophobicContact CD1-CG2 4.3Å; L532-I536 HydrophobicContact CD2-CG2 4.27Å; L532-A537 HydrophobicContact CB-CB 3.91Å; L532-A537 HydrophobicContact CD1-CB 3.88Å
533L91.1Very high91.9Very high16 Ų1621.2 Ų21.28%0.08411%0.106CC..  trans-69.8144169.7-60.8179.1000111.1Y129 L183 E217 H535 I536 A537Y129-L533 HydrophobicContact CD1-CD2 4.48Å; Y129-L533 HydrophobicContact CE1-CD2 3.65Å; Y129-L533 WeakPolarHBondContact OH-CA 3.18Å; L183-L533 HydrophobicContact CD2-CD2 4.21Å; E217-L533 HydrophobicContact CG-CD1 3.7Å; E217-L533 HydrophobicContact CG-CG 4.33Å; E217-L533 WeakPolarHBondContact OE1-CD1 3.16Å; L533-H535 PolarHBondContact O-N 2.73Å; L533-H535 VanDerWaalsContact O-N 3.12Å; L533-I536 HydrophobicContact CB-CD1 4.19Å; L533-I536 HydrophobicContact CB-CG1 4.5Å; L533-I536 WeakPolarHBondContact O-CA 3.24Å; L533-I536 WeakPolarHBondContact O-CB 3.09Å; L533-I536 PolarHBondContact O-N 2.95Å; L533-A537 PolarHBondContact O-N 3.34Å
534G87.4Confident91.7Very high15 Ų1521.4 Ų21.416%0.15511%0.107CC..THydrogen-bonded Turntrans-62.4-19-176.900000115.4Y129 I536 P538Y129-G534 PolarHBondContact OH-N 3.46Å; G534-I536 VanDerWaalsContact C-N 3.34Å; G534-P538 VanDerWaalsContact O-CA 3.27Å; G534-P538 WeakPolarHBondContact O-CA 3.34Å; G534-P538 WeakPolarHBondContact O-CG 3.48Å
535H85.8Confident91.5Very high142 Ų14221.9 Ų21.966%0.65711%0.109SC*.THydrogen-bonded Turntrans-78.3-22.1172.374-95.6000112.5L533L533-H535 PolarHBondContact O-N 2.73Å; L533-H535 VanDerWaalsContact O-N 3.12Å
536I89.2Confident91.3Very high27 Ų2722 Ų2214%0.13811%0.11CC..THydrogen-bonded Turntrans-87.6-45.6174.4-57.7167.6000109.5E217 L445 H449 L532 L533 G534E217-I536 HydrophobicContact CB-CD1 4.34Å; L445-I536 HydrophobicContact CD1-CG2 3.8Å; L445-I536 HydrophobicContact CD2-CG2 4.12Å; L445-I536 HydrophobicContact CG-CG2 4.02Å; H449-I536 HydrophobicContact CB-CD1 4.41Å; H449-I536 WeakPolarHBondContact ND1-CD1 3.48Å; H449-I536 WeakPolarHBondContact NE2-CG2 3.15Å; L532-I536 HydrophobicContact CD1-CG2 4.3Å; L532-I536 HydrophobicContact CD2-CG2 4.27Å; L533-I536 HydrophobicContact CB-CD1 4.19Å; L533-I536 HydrophobicContact CB-CG1 4.5Å; L533-I536 WeakPolarHBondContact O-CA 3.24Å; L533-I536 WeakPolarHBondContact O-CB 3.09Å; L533-I536 PolarHBondContact O-N 2.95Å; G534-I536 VanDerWaalsContact C-N 3.34Å
537A90.3Very high91.3Very high11 Ų1121.3 Ų21.39%0.09111%0.107CC..SBendtrans-137.889.1-176.200000110.7L445 L530 L532 L533L445-A537 HydrophobicContact CD2-CB 4.35Å; L530-A537 HydrophobicContact CD1-CB 4.09Å; L530-A537 HydrophobicContact CD2-CB 3.71Å; L530-A537 HydrophobicContact CG-CB 3.94Å; L532-A537 HydrophobicContact CB-CB 3.91Å; L532-A537 HydrophobicContact CD1-CB 3.88Å; L533-A537 PolarHBondContact O-N 3.34Å
538P89.6Confident91.3Very high50 Ų5021.6 Ų21.633%0.32511%0.109SC..  trans-64.6138.6-174.7-21.932.2000113.8I393 L394 G534I393-P538 HydrophobicContact CG1-CB 4.27Å; L394-P538 PolarHBondContact N-O 2.95Å; G534-P538 VanDerWaalsContact O-CA 3.27Å; G534-P538 WeakPolarHBondContact O-CA 3.34Å; G534-P538 WeakPolarHBondContact O-CG 3.48Å
539V89.9Confident91.3Very high9 Ų921.4 Ų21.46%0.05511%0.108CC..BIsolated β-bridgetrans-130.7149.5173.6-62.70000109.5L128 L394 L530 W541 D544 L547L128-V539 HydrophobicContact CD1-CG2 3.76Å; L394-V539 HydrophobicContact CB-CG1 4.35Å; L394-V539 CarbonylContact O-C 3.56Å; L394-V539 VanDerWaalsContact O-CA 3.26Å; L394-V539 WeakPolarHBondContact O-CA 3.41Å; L530-V539 HydrophobicContact CD2-CG1 4.03Å; V539-W541 PolarHBondContact O-N 3.31Å; V539-D544 HydrophobicContact CG2-CB 4.48Å; V539-L547 HydrophobicContact CG1-CD1 4.34Å; V539-L547 HydrophobicContact CG1-CD2 4.12Å
540Y88.5Confident91.2Very high22 Ų2221.8 Ų21.89%0.08611%0.11CC..  trans-64.4119.6168.3-67.9-68.6000108.9R115 I117 P390 I393 L394 P395 Y542 Y543 D544R115-Y540 WeakPolarHBondContact O-CE1 3.3Å; I117-Y540 HydrophobicContact CG1-CE1 4.12Å; P390-Y540 VanDerWaalsContact CD-OH 3.28Å; P390-Y540 WeakPolarHBondContact CD-OH 3.46Å; I393-Y540 HydrophobicContact CB-CE2 4.36Å; I393-Y540 HydrophobicContact CG2-CD1 4.08Å; I393-Y540 HydrophobicContact CG2-CD2 3.79Å; I393-Y540 HydrophobicContact CG2-CE1 3.95Å; I393-Y540 HydrophobicContact CG2-CE2 3.64Å; I393-Y540 HydrophobicContact CG2-CG 4Å; L394-Y540 WeakPolarHBondContact O-CD2 3.48Å; L394-Y540 PolarHBondContact O-N 2.8Å; P395-Y540 WeakPolarHBondContact O-CE2 3.41Å; Y540-Y542 VanDerWaalsContact C-N 3.26Å; Y540-Y542 PolarHBondContact O-N 3.42Å; Y540-Y542 VanDerWaalsContact O-N 3.12Å; Y540-Y543 CarbonylContact O-C 3.58Å; Y540-Y543 PolarHBondContact O-N 3.31Å; Y540-D544 PolarHBondContact O-N 3.14Å
541W85.8Confident91.3Very high40 Ų4021.8 Ų21.815%0.15211%0.111CC..G310 helixtrans-49.9-44.6-170.4-52101.4000113.6I117 P119 A124 K125 L128 V539 Y543I117-W541 PolarHBondContact O-NE1 3.05Å; P119-W541 HydrophobicContact CB-CD2 4.47Å; P119-W541 HydrophobicContact CB-CG 4.24Å; P119-W541 HydrophobicContact CG-CZ2 4.37Å; A124-W541 HydrophobicContact CB-CB 4.01Å; A124-W541 HydrophobicContact CB-CG 4.29Å; K125-W541 HydrophobicContact CB-CE3 4.16Å; K125-W541 HydrophobicContact CB-CH2 4.14Å; K125-W541 HydrophobicContact CB-CZ3 3.73Å; K125-W541 HydrophobicContact CG-CH2 4.13Å; K125-W541 HydrophobicContact CG-CZ3 3.78Å; L128-W541 HydrophobicContact CD1-CE3 3.82Å; L128-W541 HydrophobicContact CD1-CZ3 4.29Å; V539-W541 PolarHBondContact O-N 3.31Å; W541-Y543 VanDerWaalsContact C-N 3.32Å; W541-Y543 PolarHBondContact O-N 3.06Å
542Y84.3Confident91.4Very high50 Ų5021.7 Ų21.720%0.19611%0.11CC..G310 helixtrans-82.5-7.1-177.4-63.4-77.1000114.4Y93 P108 N114 Y540Y93-Y542 VanDerWaalsContact CE1-O 3.28Å; Y93-Y542 WeakPolarHBondContact CE1-O 3.43Å; P108-Y542 HydrophobicContact CB-CD1 3.94Å; P108-Y542 HydrophobicContact CB-CE1 4.26Å; P108-Y542 HydrophobicContact CG-CD1 4.07Å; N114-Y542 VanDerWaalsContact CA-CD2 3.49Å; N114-Y542 HydrophobicContact CB-CD2 4.35Å; N114-Y542 HydrophobicContact CB-CG 4.31Å; N114-Y542 VanDerWaalsContact OD1-CG 3.28Å; Y540-Y542 VanDerWaalsContact C-N 3.26Å; Y540-Y542 PolarHBondContact O-N 3.42Å; Y540-Y542 VanDerWaalsContact O-N 3.12Å
543Y89.2Confident91.6Very high31 Ų3121.9 Ų21.912%0.12211%0.112CC..G310 helixtrans-114.812.3177.8-64.2-76.7000113F89 N114 R115 Y540 W541 Q545 A546F89-Y543 HydrophobicContact CB-CE1 4.04Å; F89-Y543 AromaticContact CD1-CD1 3.78Å; F89-Y543 HydrophobicContact CD1-CD1 3.78Å; F89-Y543 HydrophobicContact CD1-CD2 4.24Å; F89-Y543 AromaticContact CD1-CE1 3.6Å; F89-Y543 HydrophobicContact CD1-CE1 3.6Å; F89-Y543 HydrophobicContact CD1-CE2 4.07Å; F89-Y543 HydrophobicContact CD1-CG 4.11Å; F89-Y543 AromaticContact CD1-CZ 3.75Å; F89-Y543 HydrophobicContact CE1-CD2 4.36Å; F89-Y543 HydrophobicContact CE1-CE2 4.42Å; F89-Y543 HydrophobicContact CE1-CG 4.4Å; F89-Y543 HydrophobicContact CG-CE1 4.3Å; N114-Y543 HydrophobicContact CB-CE2 3.69Å; N114-Y543 WeakPolarHBondContact O-CD2 3.41Å; N114-Y543 WeakPolarHBondContact O-CE2 3.22Å; R115-Y543 HydrophobicContact CG-CE2 3.82Å; Y540-Y543 CarbonylContact O-C 3.58Å; Y540-Y543 PolarHBondContact O-N 3.31Å; W541-Y543 VanDerWaalsContact C-N 3.32Å; W541-Y543 PolarHBondContact O-N 3.06Å; Y543-Q545 PolarHBondContact O-N 3.44Å; Y543-A546 VanDerWaalsContact O-CB 3.24Å; Y543-A546 WeakPolarHBondContact O-CB 3.46Å; Y543-A546 PolarHBondContact O-N 2.93Å
544D92.4Very high91.9Very high3 Ų323.1 Ų23.12%0.01612%0.118CC..G310 helixtrans-53.6-39.6173-170.160.7000111.7L128 R132 H528 V539 Y540 A546 L547L128-D544 HydrophobicContact CD1-CB 3.69Å; L128-D544 HydrophobicContact CG-CB 3.89Å; R132-D544 IonicContact CZ-OD1 3.57Å; R132-D544 IonicContact CZ-OD2 3.45Å; R132-D544 IonicContact NE-OD1 3.74Å; R132-D544 PolarHBondContact NE-OD1 3.23Å; R132-D544 IonicContact NE-OD2 3.47Å; R132-D544 PolarHBondContact NE-OD2 3.45Å; R132-D544 IonicContact NH2-OD1 3.91Å; R132-D544 PolarHBondContact NH2-OD1 3.17Å; R132-D544 IonicContact NH2-OD2 2.65Å; H528-D544 IonicContact CE1-OD1 2.74Å; H528-D544 PolarHBondContact NE2-O 2.75Å; H528-D544 IonicContact NE2-OD1 2.67Å; H528-D544 PolarHBondContact NE2-OD1 2.69Å; H528-D544 IonicContact NE2-OD2 3.51Å; V539-D544 HydrophobicContact CG2-CB 4.48Å; Y540-D544 PolarHBondContact O-N 3.14Å; D544-A546 PolarHBondContact O-N 3.28Å; D544-L547 WeakPolarHBondContact O-CB 3.3Å; D544-L547 PolarHBondContact O-N 2.91Å
545Q92.7Very high92.4Very high10 Ų1022.5 Ų22.55%0.04711%0.111CC..G310 helixtrans-52.7-31.5175.4-178.471.813.900113.8V91 P92 Y93 H131 Y543 L547 S548V91-Q545 HydrophobicContact CG1-CG 4.33Å; P92-Q545 WeakPolarHBondContact O-CG 3.39Å; Y93-Q545 HydrophobicContact CD1-CB 4.47Å; Y93-Q545 HydrophobicContact CD2-CB 3.6Å; Y93-Q545 HydrophobicContact CD2-CG 3.76Å; Y93-Q545 HydrophobicContact CE2-CB 3.82Å; Y93-Q545 HydrophobicContact CE2-CG 4.36Å; Y93-Q545 HydrophobicContact CG-CB 3.97Å; Y93-Q545 HydrophobicContact CG-CG 4.18Å; H131-Q545 PolarHBondContact CE1-OE1 3.41Å; H131-Q545 VanDerWaalsContact CE1-OE1 3.27Å; Y543-Q545 PolarHBondContact O-N 3.44Å; Q545-L547 PolarHBondContact O-N 3.07Å; Q545-S548 WeakPolarHBondContact O-CB 3.34Å; Q545-S548 PolarHBondContact O-N 3.16Å
546A93.3Very high93Very high4 Ų415.7 Ų15.73%0.0338%0.08CC..G310 helixtrans-64.6-22.4178.800000112.6A88 V91 P395 Y543 D544A88-A546 HydrophobicContact CB-CB 3.73Å; A88-A546 VanDerWaalsContact O-CB 3.26Å; A88-A546 WeakPolarHBondContact O-CB 3.45Å; V91-A546 HydrophobicContact CB-CB 4.33Å; V91-A546 HydrophobicContact CG2-CB 4.37Å; P395-A546 HydrophobicContact CG-CB 3.68Å; Y543-A546 VanDerWaalsContact O-CB 3.24Å; Y543-A546 WeakPolarHBondContact O-CB 3.46Å; Y543-A546 PolarHBondContact O-N 2.93Å; D544-A546 PolarHBondContact O-N 3.28Å
547L96.3Very high93.5Very high0 Ų014.4 Ų14.40%07%0.073CC..G310 helixtrans-89.9-4.9173.8-65.890000112.9L394 P395 P425 H528 L529 L530 V539 D544 Q545L394-L547 HydrophobicContact CB-CD1 4.43Å; L394-L547 HydrophobicContact CB-CD2 4.22Å; L394-L547 HydrophobicContact CD1-CD2 4.08Å; P395-L547 HydrophobicContact CG-CD1 4Å; P425-L547 HydrophobicContact CG-CG 4.26Å; H528-L547 WeakPolarHBondContact CE1-CB 3.18Å; H528-L547 WeakPolarHBondContact NE2-CB 3.36Å; L529-L547 HydrophobicContact CB-CB 4.29Å; L529-L547 WeakPolarHBondContact CG-O 3.27Å; L529-L547 PolarHBondContact N-O 2.91Å; L530-L547 HydrophobicContact CB-CD2 3.81Å; L530-L547 HydrophobicContact CD2-CD2 4.05Å; V539-L547 HydrophobicContact CG1-CD1 4.34Å; V539-L547 HydrophobicContact CG1-CD2 4.12Å; D544-L547 WeakPolarHBondContact O-CB 3.3Å; D544-L547 PolarHBondContact O-N 2.91Å; Q545-L547 PolarHBondContact O-N 3.07Å
548S96.2Very high93.8Very high8 Ų814 Ų146%0.0567%0.07CC..BIsolated β-bridgetrans-69.9141.5177.8-173.70000111.9R427 A527 Q545 N550R427-S548 PolarHBondContact NH2-O 3.24Å; A527-S548 PolarHBondContact O-OG 3.36Å; Q545-S548 WeakPolarHBondContact O-CB 3.34Å; Q545-S548 PolarHBondContact O-N 3.16Å; S548-N550 PolarHBondContact OG-N 3.46Å
549L97.1Very high94.2Very high2 Ų211.6 Ų11.61%0.015%0.054CC..  trans-112.237.2172.1-55.7175.7000110.3R139 V436 L523 A527 L529 P551 L552 P553 V556 F582R139-L549 PolarHBondContact NH2-O 3.27Å; V436-L549 HydrophobicContact CB-CD2 4.11Å; V436-L549 HydrophobicContact CG1-CD2 4.02Å; V436-L549 HydrophobicContact CG2-CD2 3.97Å; L523-L549 HydrophobicContact CB-CD1 4.45Å; A527-L549 PolarHBondContact O-N 3.36Å; L529-L549 HydrophobicContact CD2-CD1 4.03Å; L529-L549 HydrophobicContact CD2-CD2 3.94Å; L529-L549 HydrophobicContact CD2-CG 4.28Å; L529-L549 HydrophobicContact CG-CD1 4.32Å; L529-L549 HydrophobicContact CG-CD2 3.94Å; L529-L549 HydrophobicContact CG-CG 4.13Å; L549-P551 CarbonylContact C-O 3.55Å; L549-P551 CarbonylContact O-C 3.51Å; L549-P551 VanDerWaalsContact O-O 3.14Å; L549-L552 HydrophobicContact CB-CD2 3.96Å; L549-L552 VanDerWaalsContact O-CA 3.28Å; L549-L552 WeakPolarHBondContact O-CA 3.37Å; L549-L552 WeakPolarHBondContact O-CD2 3.49Å; L549-L552 PolarHBondContact O-N 3.49Å; L549-L552 VanDerWaalsContact O-N 3.13Å; L549-P553 HydrophobicContact CD2-CG 4.29Å; L549-V556 HydrophobicContact CD1-CG2 4.2Å; L549-V556 HydrophobicContact CD2-CG2 4.01Å; L549-F582 HydrophobicContact CD1-CE1 4.4Å
550N94.8Very high94.5Very high8 Ų811.6 Ų11.64%0.0435%0.054CC..SBendtrans-118.1116175.7-173.447.1000111.7V135 R139 F252 A527 S548V135-N550 HydrophobicContact CG1-CB 3.84Å; V135-N550 WeakPolarHBondContact CG1-ND2 3.01Å; R139-N550 PolarHBondContact NE-OD1 3.35Å; R139-N550 PolarHBondContact NH2-OD1 2.8Å; F252-N550 WeakPolarHBondContact CZ-ND2 3.14Å; A527-N550 HydrophobicContact CB-CB 4.17Å; S548-N550 PolarHBondContact OG-N 3.46Å
551P95.3Very high94.7Very high6 Ų611.5 Ų11.54%0.0396%0.055CC..SBendcis-61.4159.6-8.4-20.834.2000113.1P245 R249 F252 P257 L549P245-P551 HydrophobicContact CB-CB 4.03Å; R249-P551 HydrophobicContact CG-CB 4.14Å; R249-P551 HydrophobicContact CG-CG 3.6Å; F252-P551 HydrophobicContact CD2-CG 4.24Å; F252-P551 HydrophobicContact CE2-CG 3.78Å; F252-P551 HydrophobicContact CZ-CG 4.4Å; P257-P551 HydrophobicContact CG-CG 3.85Å; L549-P551 CarbonylContact C-O 3.55Å; L549-P551 CarbonylContact O-C 3.51Å; L549-P551 VanDerWaalsContact O-O 3.14Å
552L96.7Very high94.9Very high1 Ų115.6 Ų15.61%0.0058%0.076CC..  trans-64.1136.5176.4-75.8166.7000110.7P245 A524 L549 T577 C580P245-L552 WeakPolarHBondContact CB-O 3.41Å; A524-L552 HydrophobicContact CB-CD1 4.35Å; A524-L552 HydrophobicContact CB-CD2 4.18Å; L549-L552 HydrophobicContact CB-CD2 3.96Å; L549-L552 VanDerWaalsContact O-CA 3.28Å; L549-L552 WeakPolarHBondContact O-CA 3.37Å; L549-L552 WeakPolarHBondContact O-CD2 3.49Å; L549-L552 PolarHBondContact O-N 3.49Å; L549-L552 VanDerWaalsContact O-N 3.13Å; L552-T577 WeakPolarHBondContact CD1-O 3.39Å; L552-C580 HydrophobicContact CB-CB 4.28Å; L552-C580 HydrophobicContact CD2-CB 4.46Å
553P97.1Very high95.3Very high5 Ų515.5 Ų15.53%0.0328%0.082CC..  trans-75177.3173.834.8-37.3000111F258 E434 V436 L549 V556 C580F258-P553 HydrophobicContact CE2-CB 4.24Å; E434-P553 HydrophobicContact CB-CB 4.22Å; E434-P553 WeakPolarHBondContact O-CB 3.49Å; V436-P553 HydrophobicContact CB-CG 4.38Å; V436-P553 HydrophobicContact CG2-CB 3.95Å; V436-P553 HydrophobicContact CG2-CG 3.79Å; L549-P553 HydrophobicContact CD2-CG 4.29Å; P553-V556 HydrophobicContact CG-CG2 3.56Å; P553-C580 WeakPolarHBondContact O-CB 3.35Å; P553-C580 PolarHBondContact O-SG 2.99Å; P553-C580 VanDerWaalsContact O-SG 3.34Å
554N97.3Very high95.4Very high42 Ų4216.2 Ų16.223%0.2259%0.087CC..SBendtrans-74.3-38.1171.4-60.599.2000111.5R433 E434 R581R433-N554 WeakPolarHBondContact CA-OD1 3.24Å; E434-N554 PolarHBondContact N-OD1 3.22Å; E434-N554 WeakPolarHBondContact O-CB 3.44Å; E434-N554 PolarHBondContact O-N 3.48Å; N554-R581 PolarHBondContact O-N 3.45Å
555L98.6Very high95.4Very high1 Ų116.2 Ų16.21%0.0059%0.088CC..EExtended strand (participates in β ladder)trans-138.8133.5-175.4-179.565.6000111.2E434 I435 V436 I557 R581 I583 Y609 V616E434-L555 PolarHBondContact O-N 3.27Å; I435-L555 CarbonylContact C-O 3.58Å; I435-L555 VanDerWaalsContact CA-O 3.27Å; I435-L555 WeakPolarHBondContact CA-O 3.47Å; I435-L555 HydrophobicContact CD1-CD2 4.47Å; I435-L555 HydrophobicContact CG1-CB 4.23Å; I435-L555 HydrophobicContact CG2-CB 4.15Å; I435-L555 HydrophobicContact CG2-CD2 4.06Å; I435-L555 HydrophobicContact CG2-CG 4.18Å; V436-L555 PolarHBondContact N-O 2.73Å; L555-I557 HydrophobicContact CD2-CD1 4.03Å; L555-I557 HydrophobicContact CD2-CG1 3.9Å; L555-I557 HydrophobicContact CG-CG1 3.94Å; L555-R581 CarbonylContact C-O 3.53Å; L555-R581 WeakPolarHBondContact CA-O 3.33Å; L555-R581 HydrophobicContact CD1-CB 3.93Å; L555-R581 HydrophobicContact CD1-CG 4.04Å; L555-I583 HydrophobicContact CD1-CD1 4.09Å; L555-I583 HydrophobicContact CD1-CG1 3.98Å; L555-I583 HydrophobicContact CD1-CG2 4.03Å; L555-I583 HydrophobicContact CD2-CD1 4.27Å; L555-Y609 HydrophobicContact CD2-CD1 4.38Å; L555-Y609 HydrophobicContact CD2-CD2 3.87Å; L555-Y609 HydrophobicContact CD2-CE2 4.09Å; L555-Y609 HydrophobicContact CD2-CG 3.99Å; L555-V616 HydrophobicContact CD1-CG2 4.19Å; L555-V616 HydrophobicContact CD2-CG2 4.42Å
556V98.7Very high95.4Very high0 Ų018.4 Ų18.40%010%0.1CC..EExtended strand (participates in β ladder)trans-112.8121166.1176.90000108.8V436 L529 L549 P553 A558 R581 F582 I583V436-V556 HydrophobicContact CB-CG2 4.42Å; V436-V556 CarbonylContact O-C 3.46Å; V436-V556 WeakPolarHBondContact O-CA 3.46Å; L529-V556 HydrophobicContact CD2-CG1 3.85Å; L549-V556 HydrophobicContact CD1-CG2 4.2Å; L549-V556 HydrophobicContact CD2-CG2 4.01Å; P553-V556 HydrophobicContact CG-CG2 3.56Å; V556-A558 HydrophobicContact CG1-CB 4.45Å; V556-R581 PolarHBondContact N-O 2.71Å; V556-F582 HydrophobicContact CB-CD1 3.56Å; V556-F582 HydrophobicContact CB-CE1 3.66Å; V556-F582 HydrophobicContact CB-CG 4.32Å; V556-F582 HydrophobicContact CB-CZ 4.48Å; V556-F582 HydrophobicContact CG1-CD1 3.84Å; V556-F582 HydrophobicContact CG1-CE1 3.93Å; V556-F582 HydrophobicContact CG2-CD1 4.12Å; V556-F582 HydrophobicContact CG2-CE1 3.68Å; V556-F582 HydrophobicContact CG2-CZ 4.16Å; V556-F582 WeakPolarHBondContact O-CA 3.41Å; V556-I583 PolarHBondContact O-N 3.05Å
557I98.6Very high95.5Very high0 Ų018.4 Ų18.40%010%0.099CC..EExtended strand (participates in β ladder)trans-101.291.3175.2-49-178.8000107.2I292 I435 V436 I437 F438 L555 I559 I583 P585I292-I557 HydrophobicContact CD1-CD1 3.6Å; I292-I557 HydrophobicContact CG1-CD1 4Å; I292-I557 HydrophobicContact CG2-CD1 4.08Å; I292-I557 HydrophobicContact CG2-CG2 3.88Å; I435-I557 HydrophobicContact CG2-CD1 3.75Å; I435-I557 HydrophobicContact CG2-CG1 3.92Å; V436-I557 PolarHBondContact O-N 3.29Å; I437-I557 HydrophobicContact CB-CB 4.5Å; I437-I557 HydrophobicContact CD1-CD1 4.16Å; I437-I557 HydrophobicContact CG1-CB 4.28Å; I437-I557 HydrophobicContact CG1-CD1 4.07Å; I437-I557 HydrophobicContact CG1-CG1 4.41Å; I437-I557 HydrophobicContact CG2-CB 4.17Å; I437-I557 HydrophobicContact CG2-CG2 4.37Å; F438-I557 PolarHBondContact N-O 3.2Å; L555-I557 HydrophobicContact CD2-CD1 4.03Å; L555-I557 HydrophobicContact CD2-CG1 3.9Å; L555-I557 HydrophobicContact CG-CG1 3.94Å; I557-I559 HydrophobicContact CG2-CD1 4.07Å; I557-I559 HydrophobicContact CG2-CG1 3.71Å; I557-I583 HydrophobicContact CB-CG1 4.29Å; I557-I583 HydrophobicContact CD1-CD1 4.46Å; I557-I583 HydrophobicContact CG1-CD1 4Å; I557-I583 HydrophobicContact CG1-CG1 4.03Å; I557-I583 HydrophobicContact CG2-CD1 4.36Å; I557-I583 HydrophobicContact CG2-CG1 4.18Å; I557-P585 HydrophobicContact CG2-CG 4.16Å
558A97.6Very high95.5Very high2 Ų221.1 Ų21.12%0.01711%0.114CC..EExtended strand (participates in β ladder)trans-93.599.117700000109F438 Y442 V556 E560 L567 I583 N584F438-A558 CarbonylContact O-C 3.56Å; F438-A558 WeakPolarHBondContact O-CA 3.43Å; Y442-A558 WeakPolarHBondContact OH-CB 3.45Å; V556-A558 HydrophobicContact CG1-CB 4.45Å; A558-E560 PolarHBondContact O-N 3.03Å; A558-L567 HydrophobicContact CB-CD2 3.7Å; A558-I583 PolarHBondContact N-O 3.05Å; A558-N584 WeakPolarHBondContact O-CA 3.42Å; A558-N584 VanDerWaalsContact O-CB 3.28Å; A558-N584 WeakPolarHBondContact O-CB 3.17Å; A558-N584 VanDerWaalsContact O-CG 3.23Å; A558-N584 PolarHBondContact O-OD1 2.9Å
559I97.9Very high95.3Very high0 Ų021.7 Ų21.70%012%0.119CC..EExtended strand (participates in β ladder)trans-89.2110.1-172.2-49.8174.9000109.3S325 I437 F438 R439 V440 I557 P585S325-I559 VanDerWaalsContact CB-CD1 3.46Å; S325-I559 VanDerWaalsContact OG-CD1 3.24Å; S325-I559 WeakPolarHBondContact OG-CD1 3.4Å; S325-I559 WeakPolarHBondContact OG-CG2 3.28Å; I437-I559 HydrophobicContact CG2-CD1 3.89Å; F438-I559 PolarHBondContact O-N 2.77Å; R439-I559 HydrophobicContact CB-CB 4.32Å; R439-I559 HydrophobicContact CG-CB 4.22Å; R439-I559 HydrophobicContact CG-CG2 4.38Å; V440-I559 PolarHBondContact N-O 3.11Å; I557-I559 HydrophobicContact CG2-CD1 4.07Å; I557-I559 HydrophobicContact CG2-CG1 3.71Å; I559-P585 HydrophobicContact CB-CG 4.43Å; I559-P585 HydrophobicContact CD1-CG 4.23Å; I559-P585 HydrophobicContact CG1-CG 3.78Å; I559-P585 HydrophobicContact CG2-CG 4.14Å
560E95.3Very high95.1Very high9 Ų922 Ų224%0.04212%0.121CC..  trans-130.1119.8173.2-176.6169.4-14100108.2V440 Y442 S443 A558 E562 P563 N584V440-E560 WeakPolarHBondContact O-CA 3.25Å; V440-E560 WeakPolarHBondContact O-CB 3.37Å; Y442-E560 PolarHBondContact N-OE1 3.36Å; S443-E560 WeakPolarHBondContact CB-OE2 3.38Å; S443-E560 PolarHBondContact N-OE1 2.91Å; S443-E560 PolarHBondContact N-OE2 2.83Å; S443-E560 PolarHBondContact OG-OE1 3.04Å; S443-E560 PolarHBondContact OG-OE2 2.85Å; A558-E560 PolarHBondContact O-N 3.03Å; E560-E562 VanDerWaalsContact C-N 3.33Å; E560-E562 PolarHBondContact O-N 3.34Å; E560-P563 HydrophobicContact CB-CB 4.29Å; E560-P563 HydrophobicContact CG-CB 4.19Å; E560-P563 WeakPolarHBondContact O-CD 3.45Å; E560-N584 PolarHBondContact N-OD1 3.18Å; E560-N584 VanDerWaalsContact N-OD1 3.1Å; E560-N584 PolarHBondContact O-ND2 3.41Å; E560-N584 PolarHBondContact O-OD1 3.2Å
561P93.5Very high94.9Very high19 Ų1926.3 Ų26.312%0.12314%0.141CC..SBendtrans-66-33.8-173.225.2-35.1000113.6E295 N441 R587E295-P561 HydrophobicContact CB-CB 3.84Å; E295-P561 HydrophobicContact CB-CG 4.45Å; E295-P561 HydrophobicContact CG-CB 4.32Å; E295-P561 WeakPolarHBondContact OE1-CB 3.45Å; E295-P561 WeakPolarHBondContact OE1-CG 3.45Å; N441-P561 VanDerWaalsContact OD1-CD 3.26Å; N441-P561 WeakPolarHBondContact OD1-CD 3.41Å; P561-R587 HydrophobicContact CB-CB 4.18Å
562E90.1Very high94.8Very high126 Ų12628.7 Ų28.759%0.58916%0.156SC*.SBendtrans-132.267.8-176.3-65-178.7172.200109.5E560E560-E562 VanDerWaalsContact C-N 3.33Å; E560-E562 PolarHBondContact O-N 3.34Å
563P92.1Very high94.6Very high48 Ų4829.5 Ų29.531%0.31217%0.165SC..  trans-71138-172.832.6-36.1000110.9E560 N584E560-P563 HydrophobicContact CB-CB 4.29Å; E560-P563 HydrophobicContact CG-CB 4.19Å; E560-P563 WeakPolarHBondContact O-CD 3.45Å; P563-N584 WeakPolarHBondContact CB-ND2 3.09Å; P563-N584 WeakPolarHBondContact CG-ND2 3.3Å
564L91.6Very high94.2Very high46 Ų4633.5 Ų33.524%0.24119%0.186CC..SBendtrans-74.3-37.2168.2-177.367000110.9S443 R444 V447S443-L564 PolarHBondContact OG-N 3.04Å; R444-L564 HydrophobicContact CG-CB 3.88Å; R444-L564 HydrophobicContact CG-CD2 4.2Å; V447-L564 HydrophobicContact CB-CD2 3.94Å; V447-L564 HydrophobicContact CG1-CD2 3.86Å; V447-L564 HydrophobicContact CG2-CD2 3.99Å
565A92.1Very high93.7Very high3 Ų336 Ų363%0.02520%0.202CC..SBendtrans-103.2120.9179.900000110.1L515 L519 L567L515-A565 HydrophobicContact CB-CB 3.84Å; L519-A565 HydrophobicContact CB-CB 4.32Å; L519-A565 HydrophobicContact CD2-CB 3.97Å; A565-L567 VanDerWaalsContact C-N 3.33Å; A565-L567 PolarHBondContact O-N 2.99Å
566N93.8Very high93.2Very high56 Ų5637.3 Ų37.330%0.29921%0.211SC..  trans-7684.5179.7-179.18.2000110.8N512 G516 N568 A569N512-N566 HydrophobicContact CB-CB 4.49Å; N512-N566 PolarHBondContact O-N 2.84Å; G516-N566 WeakPolarHBondContact CA-O 3.27Å; N566-N568 PolarHBondContact O-N 2.9Å; N566-N568 VanDerWaalsContact O-N 3.1Å; N566-N568 WeakPolarHBondContact OD1-CB 3.37Å; N566-N568 PolarHBondContact OD1-N 3.06Å; N566-A569 VanDerWaalsContact O-CB 3.3Å; N566-A569 WeakPolarHBondContact O-CB 3.26Å; N566-A569 PolarHBondContact O-N 2.86Å
567L94.9Very high93Very high4 Ų437.4 Ų37.42%0.02121%0.211CC..G310 helixtrans-58.4-25.7-177.9-166.962.2000113.6L519 A520 A558 A565 A569 S570 F582 N584L519-L567 HydrophobicContact CB-CD1 4.35Å; L519-L567 HydrophobicContact CD2-CD1 4.18Å; L519-L567 HydrophobicContact CG-CD1 4.11Å; A520-L567 HydrophobicContact CB-CD1 3.87Å; A558-L567 HydrophobicContact CB-CD2 3.7Å; A565-L567 VanDerWaalsContact C-N 3.33Å; A565-L567 PolarHBondContact O-N 2.99Å; L567-A569 PolarHBondContact O-N 2.81Å; L567-S570 VanDerWaalsContact O-CB 3.3Å; L567-S570 WeakPolarHBondContact O-CB 3.48Å; L567-S570 PolarHBondContact O-N 3.36Å; L567-S570 VanDerWaalsContact O-N 3.11Å; L567-S570 PolarHBondContact O-OG 2.92Å; L567-F582 HydrophobicContact CD1-CB 3.79Å; L567-F582 HydrophobicContact CD2-CB 4.01Å; L567-F582 HydrophobicContact CG-CB 3.8Å; L567-N584 HydrophobicContact CB-CB 4.18Å
568N95.4Very high92.7Very high58 Ų5837.5 Ų37.531%0.3121%0.212SC..G310 helixtrans-70-16.4177.9-62-45.8000113.4N566 N584 K607N566-N568 PolarHBondContact O-N 2.9Å; N566-N568 VanDerWaalsContact O-N 3.1Å; N566-N568 WeakPolarHBondContact OD1-CB 3.37Å; N566-N568 PolarHBondContact OD1-N 3.06Å; N568-N584 PolarHBondContact ND2-O 2.52Å; N568-N584 PolarHBondContact OD1-N 2.93Å; N568-N584 PolarHBondContact OD1-O 3.05Å; N568-K607 VanDerWaalsContact OD1-CE 3.24Å; N568-K607 WeakPolarHBondContact OD1-CE 3.36Å; N568-K607 PolarHBondContact OD1-NZ 3.05Å
569A93.1Very high92.6Very high19 Ų1941.7 Ų41.716%0.15723%0.234CC..G310 helixtrans-72.7-20.8172.900000112.3E513 N566 L567 Q571E513-A569 HydrophobicContact CB-CB 3.62Å; E513-A569 HydrophobicContact CG-CB 3.71Å; N566-A569 VanDerWaalsContact O-CB 3.3Å; N566-A569 WeakPolarHBondContact O-CB 3.26Å; N566-A569 PolarHBondContact O-N 2.86Å; L567-A569 PolarHBondContact O-N 2.81Å; A569-Q571 PolarHBondContact O-NE2 2.9Å
570S92.9Very high92.5Very high8 Ų841.7 Ų41.76%0.05623%0.234CC..  trans-64142.8-177.372.10000112.2A520 L567 F582A520-S570 VanDerWaalsContact CB-CB 3.5Å; L567-S570 VanDerWaalsContact O-CB 3.3Å; L567-S570 WeakPolarHBondContact O-CB 3.48Å; L567-S570 PolarHBondContact O-N 3.36Å; L567-S570 VanDerWaalsContact O-N 3.11Å; L567-S570 PolarHBondContact O-OG 2.92Å; S570-F582 PolarHBondContact OG-O 2.99Å
571Q91.1Very high92.7Very high99 Ų9945 Ų4546%0.46325%0.246SC..  trans-112.7134.4176-61.4-56.9-47.300110.2Q517 A569 G573Q517-Q571 VanDerWaalsContact OE1-N 3.1Å; A569-Q571 PolarHBondContact O-NE2 2.9Å; Q571-G573 PolarHBondContact O-N 2.82Å
572P92.6Very high92.9Very high56 Ų5644.1 Ų44.136%0.36424%0.241SC..  trans-57.2134.1170.5-20.831000110.6T577 R581P572-T577 WeakPolarHBondContact CA-OG1 3.36Å; P572-R581 HydrophobicContact CG-CB 3.92Å; P572-R581 HydrophobicContact CG-CG 4Å
573G91.6Very high93.2Very high18 Ų1838.3 Ų38.319%0.18621%0.214CC..  trans-149.5146.7175.100000111.2Q571 V575 T576 T577 G578 N579Q571-G573 PolarHBondContact O-N 2.82Å; G573-V575 VanDerWaalsContact C-N 3.34Å; G573-V575 PolarHBondContact O-N 3.38Å; G573-T576 WeakPolarHBondContact CA-OG1 3.48Å; G573-T577 PolarHBondContact N-OG1 3.05Å; G573-T577 CarbonylContact O-C 3.49Å; G573-T577 PolarHBondContact O-N 2.76Å; G573-T577 PolarHBondContact O-OG1 3.17Å; G573-G578 PolarHBondContact O-N 3.07Å; G573-N579 PolarHBondContact O-N 2.98Å
574L89.1Confident93.5Very high89 Ų8936.3 Ų36.347%0.46620%0.2SC..Hα-helixtrans-59.4-45.3-175.7-178.462.4000111.8P244 G578 N579P244-L574 HydrophobicContact CB-CD1 3.94Å; P244-L574 HydrophobicContact CG-CD1 4.11Å; L574-G578 WeakPolarHBondContact O-CA 3.37Å; L574-G578 PolarHBondContact O-N 2.56Å; L574-N579 WeakPolarHBondContact CA-OD1 3.27Å; L574-N579 PolarHBondContact N-OD1 2.91Å; L574-N579 VanDerWaalsContact N-OD1 3.16Å
575V86.2Confident93.7Very high95 Ų9534.5 Ų34.558%0.57619%0.191SC*.Hα-helixtrans-82.1-39.3-177.7-179.40000112C242 G573C242-V575 WeakPolarHBondContact CB-O 3.44Å; C242-V575 PolarHBondContact N-O 3.12Å; G573-V575 VanDerWaalsContact C-N 3.34Å; G573-V575 PolarHBondContact O-N 3.38Å
576T89.8Confident93.8Very high29 Ų2935 Ų3518%0.17820%0.197CC..Hα-helixtrans-82.4-40.7-171.948.60000113C242 G573C242-T576 PolarHBondContact SG-O 3.36Å; G573-T576 WeakPolarHBondContact CA-OG1 3.48Å
577T94.1Very high93.9Very high1 Ų135.2 Ų35.21%0.00619%0.193CC..Hα-helixtrans-133.48.2-175.169.40000114.4A520 A524 L552 P572 G573 N579 C580 F582A520-T577 HydrophobicContact CB-CG2 4.19Å; A524-T577 HydrophobicContact CB-CG2 4.41Å; L552-T577 WeakPolarHBondContact CD1-O 3.39Å; P572-T577 WeakPolarHBondContact CA-OG1 3.36Å; G573-T577 PolarHBondContact N-OG1 3.05Å; G573-T577 CarbonylContact O-C 3.49Å; G573-T577 PolarHBondContact O-N 2.76Å; G573-T577 PolarHBondContact O-OG1 3.17Å; T577-N579 PolarHBondContact O-N 3.3Å; T577-C580 WeakPolarHBondContact CB-O 3.46Å; T577-C580 VanDerWaalsContact O-CB 3.24Å; T577-C580 WeakPolarHBondContact O-CB 3.35Å; T577-C580 PolarHBondContact O-N 2.84Å; T577-C580 PolarHBondContact OG1-O 3.38Å; T577-F582 HydrophobicContact CG2-CD2 4.31Å; T577-F582 HydrophobicContact CG2-CE2 4.17Å
578G92.9Very high93.9Very high2 Ų235.3 Ų35.32%0.02119%0.194CC..THydrogen-bonded Turntrans58.831.3-176.400000113G573 L574 C580G573-G578 PolarHBondContact O-N 3.07Å; L574-G578 WeakPolarHBondContact O-CA 3.37Å; L574-G578 PolarHBondContact O-N 2.56Å; G578-C580 PolarHBondContact O-N 3.34Å
579N94.4Very high93.8Very high90 Ų9032.9 Ų32.948%0.48118%0.183SC..THydrogen-bonded Turntrans61.97.5-170.5-59.7-33.9000115.8G573 L574 T577G573-N579 PolarHBondContact O-N 2.98Å; L574-N579 WeakPolarHBondContact CA-OD1 3.27Å; L574-N579 PolarHBondContact N-OD1 2.91Å; L574-N579 VanDerWaalsContact N-OD1 3.16Å; T577-N579 PolarHBondContact O-N 3.3Å
580C96.9Very high93.5Very high1 Ų134.6 Ų34.61%0.00719%0.187CC..  trans-69.6133.9170.3179.70000109.9L552 P553 T577 G578 F582L552-C580 HydrophobicContact CB-CB 4.28Å; L552-C580 HydrophobicContact CD2-CB 4.46Å; P553-C580 WeakPolarHBondContact O-CB 3.35Å; P553-C580 PolarHBondContact O-SG 2.99Å; P553-C580 VanDerWaalsContact O-SG 3.34Å; T577-C580 WeakPolarHBondContact CB-O 3.46Å; T577-C580 VanDerWaalsContact O-CB 3.24Å; T577-C580 WeakPolarHBondContact O-CB 3.35Å; T577-C580 PolarHBondContact O-N 2.84Å; T577-C580 PolarHBondContact OG1-O 3.38Å; G578-C580 PolarHBondContact O-N 3.34Å; C580-F582 HydrophobicContact CB-CE2 3.9Å; C580-F582 HydrophobicContact CB-CZ 4.42Å
581R97.6Very high93.1Very high77 Ų7738.6 Ų38.629%0.29121%0.211SC..EExtended strand (participates in β ladder)trans-90.9137.6173.3-170.1169.9-174.1163.52.3110.3N554 L555 V556 P572 I583 E614N554-R581 PolarHBondContact O-N 3.45Å; L555-R581 CarbonylContact C-O 3.53Å; L555-R581 WeakPolarHBondContact CA-O 3.33Å; L555-R581 HydrophobicContact CD1-CB 3.93Å; L555-R581 HydrophobicContact CD1-CG 4.04Å; V556-R581 PolarHBondContact N-O 2.71Å; P572-R581 HydrophobicContact CG-CB 3.92Å; P572-R581 HydrophobicContact CG-CG 4Å; R581-I583 HydrophobicContact CG-CG2 4.21Å; R581-E614 PolarHBondContact NH1-O 3.11Å
582F97.9Very high92.7Very high2 Ų238 Ų381%0.00921%0.208CC..EExtended strand (participates in β ladder)trans-117.6132.1176-68.4-98.2000109.2A520 L523 A524 L549 V556 L567 S570 T577 C580A520-F582 HydrophobicContact CB-CB 4.12Å; A520-F582 HydrophobicContact CB-CD2 3.88Å; A520-F582 HydrophobicContact CB-CG 4Å; L523-F582 HydrophobicContact CB-CD1 4.48Å; L523-F582 HydrophobicContact CB-CE1 3.68Å; L523-F582 HydrophobicContact CB-CZ 4.14Å; L523-F582 HydrophobicContact CD1-CD1 4.01Å; L523-F582 HydrophobicContact CD1-CE1 3.94Å; L523-F582 HydrophobicContact CG-CE1 4.49Å; A524-F582 HydrophobicContact CB-CE2 3.98Å; A524-F582 HydrophobicContact CB-CZ 3.9Å; L549-F582 HydrophobicContact CD1-CE1 4.4Å; V556-F582 HydrophobicContact CB-CD1 3.56Å; V556-F582 HydrophobicContact CB-CE1 3.66Å; V556-F582 HydrophobicContact CB-CG 4.32Å; V556-F582 HydrophobicContact CB-CZ 4.48Å; V556-F582 HydrophobicContact CG1-CD1 3.84Å; V556-F582 HydrophobicContact CG1-CE1 3.93Å; V556-F582 HydrophobicContact CG2-CD1 4.12Å; V556-F582 HydrophobicContact CG2-CE1 3.68Å; V556-F582 HydrophobicContact CG2-CZ 4.16Å; V556-F582 WeakPolarHBondContact O-CA 3.41Å; L567-F582 HydrophobicContact CD1-CB 3.79Å; L567-F582 HydrophobicContact CD2-CB 4.01Å; L567-F582 HydrophobicContact CG-CB 3.8Å; S570-F582 PolarHBondContact OG-O 2.99Å; T577-F582 HydrophobicContact CG2-CD2 4.31Å; T577-F582 HydrophobicContact CG2-CE2 4.17Å; C580-F582 HydrophobicContact CB-CE2 3.9Å; C580-F582 HydrophobicContact CB-CZ 4.42Å
583I97.8Very high92Very high4 Ų441.1 Ų41.12%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-136.6154.8178.168.1172.3000111I292 L555 V556 I557 A558 R581 K607 V616I292-I583 HydrophobicContact CD1-CD1 4.17Å; L555-I583 HydrophobicContact CD1-CD1 4.09Å; L555-I583 HydrophobicContact CD1-CG1 3.98Å; L555-I583 HydrophobicContact CD1-CG2 4.03Å; L555-I583 HydrophobicContact CD2-CD1 4.27Å; V556-I583 PolarHBondContact O-N 3.05Å; I557-I583 HydrophobicContact CB-CG1 4.29Å; I557-I583 HydrophobicContact CD1-CD1 4.46Å; I557-I583 HydrophobicContact CG1-CD1 4Å; I557-I583 HydrophobicContact CG1-CG1 4.03Å; I557-I583 HydrophobicContact CG2-CD1 4.36Å; I557-I583 HydrophobicContact CG2-CG1 4.18Å; A558-I583 PolarHBondContact N-O 3.05Å; R581-I583 HydrophobicContact CG-CG2 4.21Å; I583-K607 HydrophobicContact CB-CD 4.39Å; I583-K607 HydrophobicContact CD1-CD 4.01Å; I583-V616 HydrophobicContact CD1-CG1 3.8Å; I583-V616 HydrophobicContact CD1-CG2 4.16Å; I583-V616 HydrophobicContact CG2-CB 4.41Å; I583-V616 HydrophobicContact CG2-CG1 4.27Å; I583-V616 HydrophobicContact CG2-CG2 4.13Å
584N97.4Very high91.2Very high5 Ų540.8 Ų40.83%0.02721%0.211CC..  trans-129.3110.5167.5-1796.3000109.4A558 E560 P563 L567 N568 G586 K607A558-N584 WeakPolarHBondContact O-CA 3.42Å; A558-N584 VanDerWaalsContact O-CB 3.28Å; A558-N584 WeakPolarHBondContact O-CB 3.17Å; A558-N584 VanDerWaalsContact O-CG 3.23Å; A558-N584 PolarHBondContact O-OD1 2.9Å; E560-N584 PolarHBondContact N-OD1 3.18Å; E560-N584 VanDerWaalsContact N-OD1 3.1Å; E560-N584 PolarHBondContact O-ND2 3.41Å; E560-N584 PolarHBondContact O-OD1 3.2Å; P563-N584 WeakPolarHBondContact CB-ND2 3.09Å; P563-N584 WeakPolarHBondContact CG-ND2 3.3Å; L567-N584 HydrophobicContact CB-CB 4.18Å; N568-N584 PolarHBondContact ND2-O 2.52Å; N568-N584 PolarHBondContact OD1-N 2.93Å; N568-N584 PolarHBondContact OD1-O 3.05Å; N584-G586 PolarHBondContact O-N 2.86Å; N584-G586 PolarHBondContact OD1-N 2.87Å; N584-K607 VanDerWaalsContact O-CE 3.29Å; N584-K607 WeakPolarHBondContact O-CE 3.47Å
585P96.6Very high90.5Very high8 Ų843.6 Ų43.65%0.05223%0.226CC..  trans-69.9-9.4175.730.8-36.9000113.6I292 I557 I559 K607I292-P585 HydrophobicContact CG2-CB 4.16Å; I292-P585 HydrophobicContact CG2-CG 3.97Å; I557-P585 HydrophobicContact CG2-CG 4.16Å; I559-P585 HydrophobicContact CB-CG 4.43Å; I559-P585 HydrophobicContact CD1-CG 4.23Å; I559-P585 HydrophobicContact CG1-CG 3.78Å; I559-P585 HydrophobicContact CG2-CG 4.14Å; P585-K607 HydrophobicContact CB-CD 4.23Å; P585-K607 HydrophobicContact CB-CG 4.39Å
586G94.4Very high90Very high14 Ų1447.3 Ų47.314%0.14424%0.238CC..  trans73.1-13417600000112.9G294 E295 N584G294-G586 CarbonylContact C-O 3.55Å; G294-G586 VanDerWaalsContact CA-O 3.24Å; G294-G586 WeakPolarHBondContact CA-O 3.24Å; E295-G586 PolarHBondContact N-O 3.33Å; N584-G586 PolarHBondContact O-N 2.86Å; N584-G586 PolarHBondContact OD1-N 2.87Å
587R95.1Very high89Confident61 Ų6152.5 Ų52.523%0.2326%0.258CS..BIsolated β-bridgetrans-116129.9179.7171.7-174.6-74.9-108.5-3.3110.1E295 N297 P561 G589 H590E295-R587 IonicContact OE1-CZ 3.72Å; E295-R587 VanDerWaalsContact OE1-CZ 3.3Å; E295-R587 IonicContact OE1-NE 3.67Å; E295-R587 IonicContact OE1-NH2 2.92Å; E295-R587 PolarHBondContact OE1-NH2 2.81Å; N297-R587 PolarHBondContact OD1-NH1 2.88Å; P561-R587 HydrophobicContact CB-CB 4.18Å; R587-G589 PolarHBondContact O-N 3.46Å; R587-H590 HydrophobicContact CB-CB 4.26Å; R587-H590 HydrophobicContact CG-CB 4.36Å; R587-H590 PolarHBondContact O-ND1 2.93Å
588F96Very high88.1Confident5 Ų557.4 Ų57.42%0.02229%0.292CS..THydrogen-bonded Turntrans-75.7114.4170.9-173.9-106000109.2L293 E295 T296 T303 Q306 L307 Y604 T605 F606 L621L293-F588 HydrophobicContact CD2-CD1 4.1Å; L293-F588 HydrophobicContact CD2-CD2 3.74Å; L293-F588 HydrophobicContact CD2-CE1 4.21Å; L293-F588 HydrophobicContact CD2-CE2 3.88Å; L293-F588 HydrophobicContact CD2-CG 3.86Å; L293-F588 HydrophobicContact CD2-CZ 4.11Å; L293-F588 HydrophobicContact CG-CD2 4.11Å; L293-F588 HydrophobicContact CG-CE2 4.46Å; L293-F588 HydrophobicContact CG-CG 4.47Å; E295-F588 PolarHBondContact O-N 2.88Å; T296-F588 HydrophobicContact CG2-CD1 4.21Å; T303-F588 HydrophobicContact CG2-CD1 4.31Å; T303-F588 HydrophobicContact CG2-CE1 4.45Å; Q306-F588 HydrophobicContact CB-CE1 4.25Å; Q306-F588 HydrophobicContact CB-CZ 4.29Å; L307-F588 HydrophobicContact CD2-CD1 4.48Å; L307-F588 HydrophobicContact CD2-CE1 3.87Å; L307-F588 HydrophobicContact CD2-CZ 4.22Å; L307-F588 HydrophobicContact CG-CE1 4.02Å; F588-Y604 AromaticContact CD1-CD1 3.86Å; F588-Y604 HydrophobicContact CD1-CD1 3.86Å; F588-Y604 HydrophobicContact CD1-CE1 4.5Å; F588-Y604 AromaticContact CE1-CD1 3.59Å; F588-Y604 HydrophobicContact CE1-CD1 3.59Å; F588-Y604 HydrophobicContact CE1-CE1 4.3Å; F588-Y604 HydrophobicContact CE1-CG 4.47Å; F588-Y604 HydrophobicContact CE2-CD1 4.29Å; F588-Y604 HydrophobicContact CG-CD1 4.33Å; F588-Y604 AromaticContact CZ-CD1 3.82Å; F588-Y604 HydrophobicContact CZ-CD1 3.82Å; F588-Y604 HydrophobicContact CZ-CG 4.28Å; F588-T605 WeakPolarHBondContact CD2-O 3.5Å; F588-F606 HydrophobicContact CE2-CD1 4.3Å; F588-L621 HydrophobicContact CE2-CD1 4.3Å; F588-L621 HydrophobicContact CZ-CD1 3.87Å
589G92.3Very high87.6Confident8 Ų858.4 Ų58.48%0.08230%0.303CS..THydrogen-bonded Turntrans85.546.8-174.700000113.5R587 K602 K603 Y604R587-G589 PolarHBondContact O-N 3.46Å; G589-K602 VanDerWaalsContact O-CE 3.28Å; G589-K602 WeakPolarHBondContact O-CE 3.42Å; G589-K603 CarbonylContact C-O 3.21Å; G589-K603 WeakPolarHBondContact CA-O 3.48Å; G589-K603 PolarHBondContact N-O 3.16Å; G589-Y604 VanDerWaalsContact CA-CE1 3.43Å
590H86.9Confident87Confident54 Ų5460.7 Ų60.725%0.2531%0.314CS..EExtended strand (participates in β ladder)trans-83153.5174.470.6-93.3000111.1R587 K602 K603 T605R587-H590 HydrophobicContact CB-CB 4.26Å; R587-H590 HydrophobicContact CG-CB 4.36Å; R587-H590 PolarHBondContact O-ND1 2.93Å; H590-K602 CarbonylContact O-C 3.12Å; H590-K602 WeakPolarHBondContact O-CA 3.45Å; H590-K603 PolarHBondContact N-O 3.41Å; H590-K603 PolarHBondContact O-N 2.82Å; H590-T605 PolarHBondContact CE1-OG1 2.95Å; H590-T605 PolarHBondContact ND1-OG1 3.26Å
591V85.4Confident86.5Confident92 Ų9264 Ų6456%0.55833%0.329SS*.EExtended strand (participates in β ladder)trans-96125.3177.7-173.70000108.5L600 K602V591-L600 HydrophobicContact CG1-CB 3.77Å; V591-L600 HydrophobicContact CG1-CD2 3.54Å; V591-L600 HydrophobicContact CG1-CG 4.22Å; V591-K602 HydrophobicContact CG2-CG 4.4Å
592E82.6Confident86Confident86 Ų8663.1 Ų63.140%0.40233%0.328SS..EExtended strand (participates in β ladder)trans-126.4149.2177.9-166.5-176.1-163.800109.4S594 Q601 K603E592-S594 PolarHBondContact O-N 3.21Å; E592-Q601 PolarHBondContact N-O 3.49Å; E592-Q601 PolarHBondContact O-N 3.25Å; E592-Q601 VanDerWaalsContact O-O 3.13Å; E592-K603 WeakPolarHBondContact OE2-CD 3.45Å; E592-K603 WeakPolarHBondContact OE2-CE 3.4Å; E592-K603 IonicContact OE2-NZ 2.91Å; E592-K603 PolarHBondContact OE2-NZ 2.87Å
593F77.8Confident85.6Confident123 Ų12366.2 Ų66.254%0.53934%0.341SS..EExtended strand (participates in β ladder)trans-75.3122.6171-170.9-95000109.7
594S74.4Confident85.5Confident10 Ų1066.7 Ų66.77%0.0734%0.343CS..EExtended strand (participates in β ladder)trans-98127.1176.6680000110.2E592 E596 S598 G599E592-S594 PolarHBondContact O-N 3.21Å; S594-E596 VanDerWaalsContact C-N 3.29Å; S594-S598 PolarHBondContact O-N 2.99Å; S594-G599 PolarHBondContact N-O 3.4Å; S594-G599 PolarHBondContact O-N 3.29Å; S594-G599 PolarHBondContact OG-O 3.19Å
595N74.4Confident85.4Confident148 Ų14868.2 Ų68.279%0.79135%0.352SS*.THydrogen-bonded Turntrans-69.9-28.7175.7-70.8-17.3000111.9
596E75.7Confident85.4Confident174 Ų17468.3 Ų68.381%0.81335%0.352SS*.THydrogen-bonded Turntrans-70.5-41.6-176.9-65.6-176.3171.200113S594S594-E596 VanDerWaalsContact C-N 3.29Å
597F69.1Low85.6Confident138 Ų13868.2 Ų68.261%0.60535%0.348SS*.THydrogen-bonded Turntrans-101.87-179.2-58.7-77.3000113.5G599F597-G599 PolarHBondContact O-N 2.85Å; F597-G599 VanDerWaalsContact O-N 3.11Å
598S74.4Confident85.8Confident104 Ų10465.3 Ų65.373%0.72734%0.337SS*.THydrogen-bonded Turntrans45.542.9-177.4540000113.4S594S594-S598 PolarHBondContact O-N 2.99Å
599G83Confident85.9Confident23 Ų2365.2 Ų65.224%0.23734%0.336CS..EExtended strand (participates in β ladder)trans-164.5169.9-172.700000114.1S594 F597 Q601S594-G599 PolarHBondContact N-O 3.4Å; S594-G599 PolarHBondContact O-N 3.29Å; S594-G599 PolarHBondContact OG-O 3.19Å; F597-G599 PolarHBondContact O-N 2.85Å; F597-G599 VanDerWaalsContact O-N 3.11Å; G599-Q601 PolarHBondContact O-N 3.13Å
600L82.1Confident86.2Confident138 Ų13867.9 Ų67.972%0.72334%0.344SS*.EExtended strand (participates in β ladder)trans-72.7119.3175.7-74.2152.3000109.7V591V591-L600 HydrophobicContact CG1-CB 3.77Å; V591-L600 HydrophobicContact CG1-CD2 3.54Å; V591-L600 HydrophobicContact CG1-CG 4.22Å
601Q85Confident86.6Confident69 Ų6965.3 Ų65.332%0.32233%0.332SS..EExtended strand (participates in β ladder)trans-115.2138175.5-170.6-178.77.400109.7E592 G599E592-Q601 PolarHBondContact N-O 3.49Å; E592-Q601 PolarHBondContact O-N 3.25Å; E592-Q601 VanDerWaalsContact O-O 3.13Å; G599-Q601 PolarHBondContact O-N 3.13Å
602K87.3Confident87.1Confident60 Ų6066.4 Ų66.426%0.26133%0.326SS..EExtended strand (participates in β ladder)trans-85.6117.5173.7-166175.8178.8-163.10109.1P301 G589 H590 V591 Y604P301-K602 PolarHBondContact O-NZ 2.89Å; G589-K602 VanDerWaalsContact O-CE 3.28Å; G589-K602 WeakPolarHBondContact O-CE 3.42Å; H590-K602 CarbonylContact O-C 3.12Å; H590-K602 WeakPolarHBondContact O-CA 3.45Å; V591-K602 HydrophobicContact CG2-CG 4.4Å; K602-Y604 HydrophobicContact CD-CE2 4.18Å; K602-Y604 VanDerWaalsContact CD-OH 3.31Å; K602-Y604 WeakPolarHBondContact CD-OH 3.45Å; K602-Y604 WeakPolarHBondContact CE-OH 3.36Å; K602-Y604 HydrophobicContact CG-CE2 4.06Å; K602-Y604 PolarHBondContact NZ-OH 2.84Å
603K90.5Very high87.7Confident67 Ų6765.5 Ų65.529%0.29133%0.327SS..EExtended strand (participates in β ladder)trans-106.7133.9178.5-72.4-173.4-178167.80111.5G589 H590 E592 T605G589-K603 CarbonylContact C-O 3.21Å; G589-K603 WeakPolarHBondContact CA-O 3.48Å; G589-K603 PolarHBondContact N-O 3.16Å; H590-K603 PolarHBondContact N-O 3.41Å; H590-K603 PolarHBondContact O-N 2.82Å; E592-K603 WeakPolarHBondContact OE2-CD 3.45Å; E592-K603 WeakPolarHBondContact OE2-CE 3.4Å; E592-K603 IonicContact OE2-NZ 2.91Å; E592-K603 PolarHBondContact OE2-NZ 2.87Å; K603-T605 HydrophobicContact CB-CG2 4.4Å
604Y94.5Very high88.5Confident13 Ų1363.2 Ų63.25%0.05132%0.318CS..  trans-103.781.7178.7-66.2-87.4000109.7Q306 F588 G589 K602 C620 L621Q306-Y604 HydrophobicContact CB-CD1 3.89Å; Q306-Y604 HydrophobicContact CB-CD2 4.41Å; Q306-Y604 HydrophobicContact CB-CE1 3.95Å; Q306-Y604 HydrophobicContact CB-CE2 4.47Å; Q306-Y604 HydrophobicContact CB-CG 4.12Å; Q306-Y604 HydrophobicContact CG-CD1 4.02Å; Q306-Y604 HydrophobicContact CG-CD2 3.81Å; Q306-Y604 HydrophobicContact CG-CE1 3.78Å; Q306-Y604 HydrophobicContact CG-CE2 3.56Å; Q306-Y604 HydrophobicContact CG-CG 4.02Å; F588-Y604 AromaticContact CD1-CD1 3.86Å; F588-Y604 HydrophobicContact CD1-CD1 3.86Å; F588-Y604 HydrophobicContact CD1-CE1 4.5Å; F588-Y604 AromaticContact CE1-CD1 3.59Å; F588-Y604 HydrophobicContact CE1-CD1 3.59Å; F588-Y604 HydrophobicContact CE1-CE1 4.3Å; F588-Y604 HydrophobicContact CE1-CG 4.47Å; F588-Y604 HydrophobicContact CE2-CD1 4.29Å; F588-Y604 HydrophobicContact CG-CD1 4.33Å; F588-Y604 AromaticContact CZ-CD1 3.82Å; F588-Y604 HydrophobicContact CZ-CD1 3.82Å; F588-Y604 HydrophobicContact CZ-CG 4.28Å; G589-Y604 VanDerWaalsContact CA-CE1 3.43Å; K602-Y604 HydrophobicContact CD-CE2 4.18Å; K602-Y604 VanDerWaalsContact CD-OH 3.31Å; K602-Y604 WeakPolarHBondContact CD-OH 3.45Å; K602-Y604 WeakPolarHBondContact CE-OH 3.36Å; K602-Y604 HydrophobicContact CG-CE2 4.06Å; K602-Y604 PolarHBondContact NZ-OH 2.84Å; Y604-C620 WeakPolarHBondContact O-CA 3.39Å; Y604-L621 PolarHBondContact O-N 2.87Å
605T95.3Very high89.6Confident37 Ų3767 Ų6723%0.22734%0.337CS..EExtended strand (participates in β ladder)trans-93.1147.2-179.951.80000111.6F588 H590 K603 S619 C620F588-T605 WeakPolarHBondContact CD2-O 3.5Å; H590-T605 PolarHBondContact CE1-OG1 2.95Å; H590-T605 PolarHBondContact ND1-OG1 3.26Å; K603-T605 HydrophobicContact CB-CG2 4.4Å; T605-S619 CarbonylContact C-O 3.46Å; T605-S619 VanDerWaalsContact CA-O 3.3Å; T605-S619 WeakPolarHBondContact CA-O 3.33Å; T605-C620 HydrophobicContact CG2-CB 4.03Å
606F97.4Very high90.7Very high11 Ų1160.6 Ų60.65%0.04830%0.303CS..EExtended strand (participates in β ladder)trans-150.3171.4176.559.5-85.8000108.6V291 L293 L310 Y314 F588 V608 S619 L621V291-F606 HydrophobicContact CG1-CD2 3.7Å; V291-F606 HydrophobicContact CG1-CE2 4.01Å; V291-F606 HydrophobicContact CG1-CG 4.49Å; L293-F606 HydrophobicContact CG-CB 4.17Å; L310-F606 HydrophobicContact CD1-CD1 4.04Å; L310-F606 HydrophobicContact CD1-CE1 3.53Å; L310-F606 HydrophobicContact CD1-CE2 4.04Å; L310-F606 HydrophobicContact CD1-CZ 3.52Å; Y314-F606 HydrophobicContact CE2-CE2 4.09Å; Y314-F606 HydrophobicContact CE2-CZ 4.17Å; Y314-F606 WeakPolarHBondContact OH-CE2 3.38Å; F588-F606 HydrophobicContact CE2-CD1 4.3Å; F606-V608 HydrophobicContact CD2-CG2 4.06Å; F606-V608 HydrophobicContact CE2-CG2 3.73Å; F606-S619 VanDerWaalsContact CZ-CB 3.44Å; F606-S619 PolarHBondContact N-O 3.29Å; F606-S619 PolarHBondContact O-N 2.91Å; F606-L621 HydrophobicContact CE1-CD2 4.04Å; F606-L621 HydrophobicContact CE1-CG 4.18Å
607K98.3Very high91.7Very high11 Ų1156.5 Ų56.55%0.04828%0.284CS..EExtended strand (participates in β ladder)trans-117.7144.7177.8-69.9179.9-179.9-74.90110.7I292 N568 I583 N584 P585 V616 E617 D618I292-K607 HydrophobicContact CB-CB 4.44Å; I292-K607 WeakPolarHBondContact CB-O 3.31Å; I292-K607 PolarHBondContact N-O 3.24Å; I292-K607 PolarHBondContact O-N 2.94Å; N568-K607 VanDerWaalsContact OD1-CE 3.24Å; N568-K607 WeakPolarHBondContact OD1-CE 3.36Å; N568-K607 PolarHBondContact OD1-NZ 3.05Å; I583-K607 HydrophobicContact CB-CD 4.39Å; I583-K607 HydrophobicContact CD1-CD 4.01Å; N584-K607 VanDerWaalsContact O-CE 3.29Å; N584-K607 WeakPolarHBondContact O-CE 3.47Å; P585-K607 HydrophobicContact CB-CD 4.23Å; P585-K607 HydrophobicContact CB-CG 4.39Å; K607-V616 HydrophobicContact CB-CG1 3.87Å; K607-V616 HydrophobicContact CD-CG1 3.87Å; K607-V616 HydrophobicContact CG-CG1 4.2Å; K607-E617 CarbonylContact C-O 3.57Å; K607-E617 VanDerWaalsContact CA-O 3.25Å; K607-E617 WeakPolarHBondContact CA-O 3.35Å; K607-D618 IonicContact NZ-OD1 3.34Å; K607-D618 PolarHBondContact NZ-OD1 2.9Å; K607-D618 IonicContact NZ-OD2 2.78Å
608V98.6Very high93Very high0 Ų055.6 Ų55.60%029%0.285CS..EExtended strand (participates in β ladder)trans-113.2125.2174.2-174.40000108.8M289 L290 Y314 F606 Y610 V616 E617 S619M289-V608 HydrophobicContact CB-CG1 3.88Å; M289-V608 HydrophobicContact CG-CG1 4.45Å; M289-V608 HydrophobicContact SD-CG1 3.98Å; L290-V608 CarbonylContact O-C 3.55Å; L290-V608 WeakPolarHBondContact O-CA 3.33Å; Y314-V608 WeakPolarHBondContact OH-CG2 3.4Å; F606-V608 HydrophobicContact CD2-CG2 4.06Å; F606-V608 HydrophobicContact CE2-CG2 3.73Å; V608-Y610 HydrophobicContact CB-CE2 4.28Å; V608-Y610 HydrophobicContact CG1-CD2 4.49Å; V608-Y610 HydrophobicContact CG1-CE1 4.07Å; V608-Y610 HydrophobicContact CG1-CE2 3.87Å; V608-V616 CarbonylContact O-C 3.5Å; V608-V616 WeakPolarHBondContact O-CA 3.19Å; V608-E617 PolarHBondContact N-O 2.94Å; V608-E617 PolarHBondContact O-N 3Å; V608-S619 WeakPolarHBondContact CG2-OG 3.41Å
609Y98.6Very high94Very high3 Ų351.8 Ų51.81%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-107.6126.1177172.7-108.6000111.1M289 L290 R433 I435 L555 P611 E614 V616M289-Y609 CarbonylContact C-O 3.52Å; M289-Y609 VanDerWaalsContact CA-O 3.25Å; M289-Y609 WeakPolarHBondContact CA-O 3.37Å; L290-Y609 HydrophobicContact CD1-CD1 4.1Å; L290-Y609 PolarHBondContact N-O 3.34Å; L290-Y609 PolarHBondContact O-N 3.39Å; R433-Y609 HydrophobicContact CB-CE1 4.47Å; R433-Y609 WeakPolarHBondContact CG-OH 3.27Å; I435-Y609 HydrophobicContact CD1-CD1 3.93Å; I435-Y609 HydrophobicContact CD1-CE1 3.71Å; I435-Y609 HydrophobicContact CG1-CE1 4.5Å; L555-Y609 HydrophobicContact CD2-CD1 4.38Å; L555-Y609 HydrophobicContact CD2-CD2 3.87Å; L555-Y609 HydrophobicContact CD2-CE2 4.09Å; L555-Y609 HydrophobicContact CD2-CG 3.99Å; Y609-P611 HydrophobicContact CE1-CB 4Å; Y609-P611 WeakPolarHBondContact O-CD 3.3Å; Y609-E614 HydrophobicContact CE2-CB 4.42Å; Y609-V616 HydrophobicContact CD2-CG2 3.67Å; Y609-V616 HydrophobicContact CE2-CG2 4.44Å
610Y97.8Very high94.5Very high64 Ų6453.7 Ų53.725%0.25127%0.267SS..EExtended strand (participates in β ladder)trans-102.5103176.8-59.4-83.6000109.6M289 V608 R612 T613 E614 I615 E617M289-Y610 HydrophobicContact CB-CD1 3.85Å; M289-Y610 HydrophobicContact CB-CE1 3.9Å; M289-Y610 HydrophobicContact SD-CE1 4.34Å; V608-Y610 HydrophobicContact CB-CE2 4.28Å; V608-Y610 HydrophobicContact CG1-CD2 4.49Å; V608-Y610 HydrophobicContact CG1-CE1 4.07Å; V608-Y610 HydrophobicContact CG1-CE2 3.87Å; Y610-R612 PolarHBondContact O-N 3.34Å; Y610-R612 VanDerWaalsContact O-N 3.12Å; Y610-T613 WeakPolarHBondContact CB-OG1 2.93Å; Y610-T613 PolarHBondContact O-N 2.76Å; Y610-E614 WeakPolarHBondContact O-CA 3.34Å; Y610-E614 PolarHBondContact O-N 3.09Å; Y610-I615 PolarHBondContact N-O 3.01Å; Y610-E617 HydrophobicContact CE2-CB 4.08Å; Y610-E617 VanDerWaalsContact CE2-OE2 3.31Å; Y610-E617 WeakPolarHBondContact CE2-OE2 3.39Å; Y610-E617 PolarHBondContact OH-OE2 2.88Å
611P96.8Very high94.9Very high0 Ų048 Ų480%024%0.237CC..THydrogen-bonded Turntrans-55.7-31.1-177.922.5-38.2000114.1L279 A288 L430 Y431 R433 Y609L279-P611 HydrophobicContact CD1-CB 3.99Å; L279-P611 HydrophobicContact CD1-CG 4.02Å; A288-P611 HydrophobicContact CB-CG 3.81Å; A288-P611 VanDerWaalsContact O-CD 3.27Å; A288-P611 WeakPolarHBondContact O-CD 3.4Å; L430-P611 HydrophobicContact CD2-CB 3.99Å; L430-P611 HydrophobicContact CD2-CG 3.7Å; L430-P611 HydrophobicContact CG-CB 4.17Å; L430-P611 HydrophobicContact CG-CG 4.16Å; Y431-P611 HydrophobicContact CD2-CG 4.49Å; R433-P611 HydrophobicContact CG-CB 3.73Å; R433-P611 PolarHBondContact NE-O 3.05Å; R433-P611 PolarHBondContact NH2-O 3.17Å; Y609-P611 HydrophobicContact CE1-CB 4Å; Y609-P611 WeakPolarHBondContact O-CD 3.3Å
612R95.1Very high94.5Very high115 Ų11553 Ų5343%0.43428%0.276SS..THydrogen-bonded Turntrans-68.3-49.1-178.2-176.2176.759.5125-7.4112.2L279 S286 Y610L279-R612 HydrophobicContact CD1-CB 3.95Å; L279-R612 HydrophobicContact CG-CB 4.26Å; L279-R612 WeakPolarHBondContact O-CD 3.28Å; S286-R612 VanDerWaalsContact CA-NE 3.33Å; Y610-R612 PolarHBondContact O-N 3.34Å; Y610-R612 VanDerWaalsContact O-N 3.12Å
613T95.6Very high94.8Very high68 Ų6852.6 Ų52.642%0.41728%0.276SS..THydrogen-bonded Turntrans-92.3-12.2-177.4560000113.2Y610 I615Y610-T613 WeakPolarHBondContact CB-OG1 2.93Å; Y610-T613 PolarHBondContact O-N 2.76Å; T613-I615 PolarHBondContact O-N 3.49Å; T613-I615 VanDerWaalsContact O-N 3.16Å
614E95.3Very high95.1Very high75 Ų7551.8 Ų51.835%0.3528%0.276SS..THydrogen-bonded Turntrans60.918.2-175.3-53.5-178.8-148.400113.5R433 R581 Y609 Y610R433-E614 IonicContact CZ-OE1 2.69Å; R433-E614 IonicContact NE-OE1 2.81Å; R433-E614 PolarHBondContact NE-OE1 3.25Å; R433-E614 IonicContact NH1-OE1 2.73Å; R433-E614 PolarHBondContact NH1-OE1 3.29Å; R433-E614 IonicContact NH2-OE1 3.09Å; R433-E614 PolarHBondContact NH2-OE1 3.49Å; R581-E614 PolarHBondContact NH1-O 3.11Å; Y609-E614 HydrophobicContact CE2-CB 4.42Å; Y610-E614 WeakPolarHBondContact O-CA 3.34Å; Y610-E614 PolarHBondContact O-N 3.09Å
615I96Very high95.1Very high90 Ų9054 Ų5446%0.46229%0.288SS..EExtended strand (participates in β ladder)trans-80.6135.2176.2-63.1173.2000108.8Y610 T613Y610-I615 PolarHBondContact N-O 3.01Å; T613-I615 PolarHBondContact O-N 3.49Å; T613-I615 VanDerWaalsContact O-N 3.16Å
616V97.8Very high95.1Very high12 Ų1255 Ų557%0.07329%0.292CS..EExtended strand (participates in β ladder)trans-108118.3165.8-177.30000106.7L555 I583 K607 V608 Y609L555-V616 HydrophobicContact CD1-CG2 4.19Å; L555-V616 HydrophobicContact CD2-CG2 4.42Å; I583-V616 HydrophobicContact CD1-CG1 3.8Å; I583-V616 HydrophobicContact CD1-CG2 4.16Å; I583-V616 HydrophobicContact CG2-CB 4.41Å; I583-V616 HydrophobicContact CG2-CG1 4.27Å; I583-V616 HydrophobicContact CG2-CG2 4.13Å; K607-V616 HydrophobicContact CB-CG1 3.87Å; K607-V616 HydrophobicContact CD-CG1 3.87Å; K607-V616 HydrophobicContact CG-CG1 4.2Å; V608-V616 CarbonylContact O-C 3.5Å; V608-V616 WeakPolarHBondContact O-CA 3.19Å; Y609-V616 HydrophobicContact CD2-CG2 3.67Å; Y609-V616 HydrophobicContact CE2-CG2 4.44Å
617E97.1Very high94.9Very high89 Ų8957.8 Ų57.842%0.41631%0.307SS..EExtended strand (participates in β ladder)trans-99.4141.6178.7-175.9177.4-177.400110.1K607 V608 Y610K607-E617 CarbonylContact C-O 3.57Å; K607-E617 VanDerWaalsContact CA-O 3.25Å; K607-E617 WeakPolarHBondContact CA-O 3.35Å; V608-E617 PolarHBondContact N-O 2.94Å; V608-E617 PolarHBondContact O-N 3Å; Y610-E617 HydrophobicContact CE2-CB 4.08Å; Y610-E617 VanDerWaalsContact CE2-OE2 3.31Å; Y610-E617 WeakPolarHBondContact CE2-OE2 3.39Å; Y610-E617 PolarHBondContact OH-OE2 2.88Å
618D95.9Very high94.7Very high119 Ų11960.9 Ų60.964%0.63632%0.324SS*.EExtended strand (participates in β ladder)trans-84.2128.5169.2-74.8-52.7000109.5K607K607-D618 IonicContact NZ-OD1 3.34Å; K607-D618 PolarHBondContact NZ-OD1 2.9Å; K607-D618 IonicContact NZ-OD2 2.78Å
619S96.1Very high94.4Very high24 Ų2465.2 Ų65.217%0.16835%0.347CS..EExtended strand (participates in β ladder)trans-131.3153.3179.8-57.80000110.5T605 F606 V608T605-S619 CarbonylContact C-O 3.46Å; T605-S619 VanDerWaalsContact CA-O 3.3Å; T605-S619 WeakPolarHBondContact CA-O 3.33Å; F606-S619 VanDerWaalsContact CZ-CB 3.44Å; F606-S619 PolarHBondContact N-O 3.29Å; F606-S619 PolarHBondContact O-N 2.91Å; V608-S619 WeakPolarHBondContact CG2-OG 3.41Å
620C93.3Very high94.1Very high62 Ų6270 Ų7042%0.41937%0.373SS..EExtended strand (participates in β ladder)trans-140.7144.3178.1-168.50000108.9Y604 T605Y604-C620 WeakPolarHBondContact O-CA 3.39Å; T605-C620 HydrophobicContact CG2-CB 4.03Å
621L90.3Very high93.8Very high19 Ų1970.5 Ų70.510%0.09938%0.383CS..  trans-67.2144.1165-63.1179.2000109.6Q306 L310 F588 Y604 F606Q306-L621 HydrophobicContact CB-CD1 3.9Å; Q306-L621 VanDerWaalsContact O-CD1 3.26Å; Q306-L621 WeakPolarHBondContact O-CD1 3.38Å; Q306-L621 VanDerWaalsContact OE1-CD1 3.27Å; L310-L621 HydrophobicContact CB-CD1 4.28Å; L310-L621 HydrophobicContact CB-CD2 4.04Å; L310-L621 HydrophobicContact CD1-CD2 3.77Å; F588-L621 HydrophobicContact CE2-CD1 4.3Å; F588-L621 HydrophobicContact CZ-CD1 3.87Å; Y604-L621 PolarHBondContact O-N 2.87Å; F606-L621 HydrophobicContact CE1-CD2 4.04Å; F606-L621 HydrophobicContact CE1-CG 4.18Å
622P76.6Confident93.6Very high173 Ų17376.9 Ų76.9100%1.12342%0.418SS*.  trans-63.60-178.527.3-35.2000113.6

Retrieved 622 of 622 residues in 1215.6 ms (Link to these results)

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