A0A077Z1J9_TRITR Loading...

PDZ domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z1J9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 313 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
1M48.1Very low66.9Low220 Ų220106.5 Ų106.5100%1.08452%0.516SS*.  0-13.20-72.9-164.7-134.200114.7F3M1-F3 PolarHBondContact O-N 3.32Å
2N54.4Low68Low137 Ų137109.8 Ų109.873%0.73353%0.53SS*.Hα-helixtrans-71.8-28.3-174.2-75.9-7.1000116.3Q4 L5 S6N2-Q4 PolarHBondContact O-N 3.47Å; N2-L5 PolarHBondContact O-N 3.45Å; N2-S6 PolarHBondContact O-N 3.13Å
3F53.5Low68.9Low84 Ų84110 Ų11037%0.36853%0.529SS..Hα-helixtrans-67.5-40.3-172.8-150.9-92.8000113.1M1 L5 S6 E7 T40M1-F3 PolarHBondContact O-N 3.32Å; F3-L5 PolarHBondContact O-N 2.77Å; F3-S6 PolarHBondContact O-N 3.4Å; F3-S6 PolarHBondContact O-OG 3.25Å; F3-E7 HydrophobicContact CD1-CG 4.04Å; F3-E7 HydrophobicContact CE1-CG 4.04Å; F3-E7 VanDerWaalsContact CE1-OE1 3.31Å; F3-E7 WeakPolarHBondContact CE1-OE1 3.2Å; F3-E7 PolarHBondContact O-N 3.2Å; F3-E7 VanDerWaalsContact O-N 3.13Å; F3-T40 HydrophobicContact CD2-CG2 4.39Å; F3-T40 HydrophobicContact CE2-CG2 4.08Å
4Q57.8Low69.4Low141 Ų141102.1 Ų102.166%0.65949%0.492SS*.Hα-helixtrans-68.5-24.8178.2-69.3-162.26.300113.3N2 K8N2-Q4 PolarHBondContact O-N 3.47Å; Q4-K8 WeakPolarHBondContact O-CB 3.25Å; Q4-K8 VanDerWaalsContact O-CG 3.3Å; Q4-K8 WeakPolarHBondContact O-CG 3.41Å; Q4-K8 PolarHBondContact O-N 3.04Å
5L58.4Low69.8Low118 Ų118100 Ų10062%0.61849%0.491SS*.Hα-helixtrans-73.6-37.3175.6-85.8150.2000111.1N2 F3 K9N2-L5 PolarHBondContact O-N 3.45Å; F3-L5 PolarHBondContact O-N 2.77Å; L5-K9 WeakPolarHBondContact O-CB 3.28Å; L5-K9 PolarHBondContact O-N 3.46Å; L5-K9 VanDerWaalsContact O-N 3.15Å
6S73.5Confident70.4Confident25 Ų2597.5 Ų97.518%0.17550%0.499CS..Hα-helixtrans-75.4-41.7-177.972.60000112.3N2 F3 K8 K9 I10 E36N2-S6 PolarHBondContact O-N 3.13Å; F3-S6 PolarHBondContact O-N 3.4Å; F3-S6 PolarHBondContact O-OG 3.25Å; S6-K8 PolarHBondContact O-N 3.49Å; S6-K9 PolarHBondContact O-N 3.45Å; S6-I10 WeakPolarHBondContact O-CG1 3.28Å; S6-I10 PolarHBondContact O-N 2.65Å; S6-E36 VanDerWaalsContact CB-CD 3.44Å; S6-E36 WeakPolarHBondContact CB-OE1 3.46Å; S6-E36 WeakPolarHBondContact CB-OE2 3.35Å; S6-E36 PolarHBondContact OG-OE1 2.72Å; S6-E36 PolarHBondContact OG-OE2 2.91Å
7E73.6Confident70.8Confident74 Ų7498 Ų9835%0.34649%0.494SS..Hα-helixtrans-59-46173.3-69.1-173.5149.100111.8F3 K9 I10 I11 L33F3-E7 HydrophobicContact CD1-CG 4.04Å; F3-E7 HydrophobicContact CE1-CG 4.04Å; F3-E7 VanDerWaalsContact CE1-OE1 3.31Å; F3-E7 WeakPolarHBondContact CE1-OE1 3.2Å; F3-E7 PolarHBondContact O-N 3.2Å; F3-E7 VanDerWaalsContact O-N 3.13Å; E7-K9 VanDerWaalsContact C-N 3.32Å; E7-K9 PolarHBondContact O-N 2.81Å; E7-I10 PolarHBondContact O-N 2.75Å; E7-I11 WeakPolarHBondContact O-CG1 3.34Å; E7-I11 PolarHBondContact O-N 3.13Å; E7-L33 HydrophobicContact CB-CD2 4.16Å; E7-L33 HydrophobicContact CG-CD2 3.77Å
8K77.1Confident71.1Confident133 Ų133100.4 Ų100.458%0.57851%0.514SS*.Hα-helixtrans-59-43.5176.5-79.5-177.5179.2-175.60111.8Q4 S6 I10 I11 E12Q4-K8 WeakPolarHBondContact O-CB 3.25Å; Q4-K8 VanDerWaalsContact O-CG 3.3Å; Q4-K8 WeakPolarHBondContact O-CG 3.41Å; Q4-K8 PolarHBondContact O-N 3.04Å; S6-K8 PolarHBondContact O-N 3.49Å; K8-I10 PolarHBondContact O-N 2.79Å; K8-I11 PolarHBondContact O-N 3.29Å; K8-E12 WeakPolarHBondContact O-CB 3.16Å; K8-E12 WeakPolarHBondContact O-CG 3.17Å; K8-E12 PolarHBondContact O-N 3.37Å
9K81.6Confident71.8Confident146 Ų146100.6 Ų100.664%0.63552%0.517SS*.Hα-helixtrans-63.3-41.1178.5-171179.9179.2-176.10112.1L5 S6 E7 E12 E13L5-K9 WeakPolarHBondContact O-CB 3.28Å; L5-K9 PolarHBondContact O-N 3.46Å; L5-K9 VanDerWaalsContact O-N 3.15Å; S6-K9 PolarHBondContact O-N 3.45Å; E7-K9 VanDerWaalsContact C-N 3.32Å; E7-K9 PolarHBondContact O-N 2.81Å; K9-E12 PolarHBondContact O-N 3.17Å; K9-E13 VanDerWaalsContact O-CB 3.3Å; K9-E13 WeakPolarHBondContact O-CB 3.43Å; K9-E13 PolarHBondContact O-N 3.32Å
10I80Confident72.2Confident14 Ų1497.9 Ų97.97%0.07250%0.503CS..Hα-helixtrans-62.9-44.3176.8-70.4170.3000110.8S6 E7 K8 A14 K32 L33 E36S6-I10 WeakPolarHBondContact O-CG1 3.28Å; S6-I10 PolarHBondContact O-N 2.65Å; E7-I10 PolarHBondContact O-N 2.75Å; K8-I10 PolarHBondContact O-N 2.79Å; I10-A14 VanDerWaalsContact O-CB 3.26Å; I10-A14 WeakPolarHBondContact O-CB 3.43Å; I10-A14 PolarHBondContact O-N 3.14Å; I10-K32 HydrophobicContact CG2-CB 3.62Å; I10-K32 HydrophobicContact CG2-CD 4.02Å; I10-K32 HydrophobicContact CG2-CG 4.49Å; I10-L33 HydrophobicContact CD1-CD2 4.08Å; I10-L33 HydrophobicContact CG2-CD2 4.41Å; I10-L33 HydrophobicContact CG2-CG 4.36Å; I10-E36 HydrophobicContact CD1-CB 3.97Å; I10-E36 HydrophobicContact CD1-CG 4.41Å; I10-E36 WeakPolarHBondContact CD1-OE2 3.41Å
11I78.4Confident72.7Confident79 Ų7995.1 Ų95.141%0.40550%0.498SS..Hα-helixtrans-67-42.9180-65.5168000111.1E7 K8 A14 S15 I29E7-I11 WeakPolarHBondContact O-CG1 3.34Å; E7-I11 PolarHBondContact O-N 3.13Å; K8-I11 PolarHBondContact O-N 3.29Å; I11-A14 PolarHBondContact O-N 3.49Å; I11-S15 WeakPolarHBondContact O-CB 3.3Å; I11-S15 PolarHBondContact O-N 3.43Å; I11-S15 PolarHBondContact O-OG 2.89Å; I11-I29 HydrophobicContact CG1-CG2 4.21Å
12E79.5Confident74.2Confident146 Ų14691.4 Ų91.468%0.68248%0.483SS*.Hα-helixtrans-63.1-46.2176.4-78.8179.5176.800111.9K8 K9 A14 S15 G16K8-E12 WeakPolarHBondContact O-CB 3.16Å; K8-E12 WeakPolarHBondContact O-CG 3.17Å; K8-E12 PolarHBondContact O-N 3.37Å; K9-E12 PolarHBondContact O-N 3.17Å; E12-A14 PolarHBondContact O-N 2.96Å; E12-S15 PolarHBondContact O-N 3.41Å; E12-G16 PolarHBondContact O-N 2.78Å; E12-G16 VanDerWaalsContact O-N 3.15Å
13E80.4Confident75.2Confident113 Ų11388.5 Ų88.553%0.52848%0.478SS..Hα-helixtrans-63.2-42.2178.4-167-159.6149.600111.5K9 K32K9-E13 VanDerWaalsContact O-CB 3.3Å; K9-E13 WeakPolarHBondContact O-CB 3.43Å; K9-E13 PolarHBondContact O-N 3.32Å; E13-K32 IonicContact OE1-NZ 2.69Å; E13-K32 PolarHBondContact OE1-NZ 3.36Å; E13-K32 IonicContact OE2-NZ 2.74Å; E13-K32 PolarHBondContact OE2-NZ 2.96Å
14A75.8Confident76.5Confident0 Ų089.9 Ų89.90%049%0.486CS..Hα-helixtrans-69.8-41.9178.300000111.4I10 I11 E12 G16 R17 L25 I29I10-A14 VanDerWaalsContact O-CB 3.26Å; I10-A14 WeakPolarHBondContact O-CB 3.43Å; I10-A14 PolarHBondContact O-N 3.14Å; I11-A14 PolarHBondContact O-N 3.49Å; E12-A14 PolarHBondContact O-N 2.96Å; A14-G16 PolarHBondContact O-N 3.31Å; A14-R17 WeakPolarHBondContact O-CB 3.34Å; A14-R17 PolarHBondContact O-N 3.19Å; A14-L25 HydrophobicContact CB-CD1 3.82Å; A14-L25 WeakPolarHBondContact O-CD1 3.34Å; A14-I29 HydrophobicContact CB-CD1 3.96Å; A14-I29 HydrophobicContact CB-CG1 3.38Å
15S75Confident77.5Confident70 Ų7084.5 Ų84.549%0.4946%0.461SS..Hα-helixtrans-67-19.1-179.5-630000113.2I11 E12 R17I11-S15 WeakPolarHBondContact O-CB 3.3Å; I11-S15 PolarHBondContact O-N 3.43Å; I11-S15 PolarHBondContact O-OG 2.89Å; E12-S15 PolarHBondContact O-N 3.41Å; S15-R17 PolarHBondContact O-N 3.22Å
16G79.5Confident78.7Confident60 Ų6084.8 Ų84.862%0.61946%0.459SS*.THydrogen-bonded Turntrans-69.7-12.4168.600000114.4E12 A14 T18E12-G16 PolarHBondContact O-N 2.78Å; E12-G16 VanDerWaalsContact O-N 3.15Å; A14-G16 PolarHBondContact O-N 3.31Å; G16-T18 PolarHBondContact O-N 2.77Å
17R77.6Confident79.2Confident106 Ų10692 Ų9240%0.448%0.483SS..  trans-84.998.6179.3-65-161.273.51676.1111A14 S15 D19 L20A14-R17 WeakPolarHBondContact O-CB 3.34Å; A14-R17 PolarHBondContact O-N 3.19Å; S15-R17 PolarHBondContact O-N 3.22Å; R17-D19 VanDerWaalsContact C-N 3.31Å; R17-D19 VanDerWaalsContact CB-OD1 3.26Å; R17-D19 WeakPolarHBondContact CB-OD1 3.45Å; R17-D19 IonicContact CZ-OD1 3.61Å; R17-D19 IonicContact CZ-OD2 2.69Å; R17-D19 IonicContact NE-OD1 3.45Å; R17-D19 PolarHBondContact NE-OD1 3.01Å; R17-D19 IonicContact NE-OD2 3.49Å; R17-D19 IonicContact NH2-OD1 2.82Å; R17-D19 IonicContact NH2-OD2 3.77Å; R17-D19 PolarHBondContact NH2-OD2 3.45Å; R17-L20 HydrophobicContact CB-CD1 4.34Å
18T76.4Confident79.6Confident141 Ų14190.4 Ų90.487%0.86548%0.476SS*.  trans-86.5-1.7173.958.40000113.4G16G16-T18 PolarHBondContact O-N 2.77Å
19D83.2Confident80Confident105 Ų10585.5 Ų85.556%0.56146%0.456SS*.SBendtrans-80.7-16.7179.658.1-50000113.5R17R17-D19 VanDerWaalsContact C-N 3.31Å; R17-D19 VanDerWaalsContact CB-OD1 3.26Å; R17-D19 WeakPolarHBondContact CB-OD1 3.45Å; R17-D19 IonicContact CZ-OD1 3.61Å; R17-D19 IonicContact CZ-OD2 2.69Å; R17-D19 IonicContact NE-OD1 3.45Å; R17-D19 PolarHBondContact NE-OD1 3.01Å; R17-D19 IonicContact NE-OD2 3.49Å; R17-D19 IonicContact NH2-OD1 2.82Å; R17-D19 IonicContact NH2-OD2 3.77Å; R17-D19 PolarHBondContact NH2-OD2 3.45Å
20L79.9Confident80.1Confident46 Ų4682.7 Ų82.724%0.24145%0.448CS..SBendtrans-105.3145.1-174.8-66.8168.4000111.7R17 E24 L25 L28R17-L20 HydrophobicContact CB-CD1 4.34Å; L20-E24 HydrophobicContact CB-CB 4.2Å; L20-E24 HydrophobicContact CD2-CB 4.08Å; L20-L25 HydrophobicContact CB-CB 4.43Å; L20-L28 HydrophobicContact CD1-CD2 3.74Å
21G82.1Confident80.2Confident39 Ų3986 Ų8640%0.40247%0.466SS..  trans-69.1156168.300000111.6A23 E24 L25G21-A23 PolarHBondContact O-N 2.97Å; G21-A23 VanDerWaalsContact O-N 3.09Å; G21-E24 PolarHBondContact N-OE2 3.38Å; G21-E24 VanDerWaalsContact N-OE2 3.14Å; G21-E24 WeakPolarHBondContact O-CB 3.15Å; G21-E24 PolarHBondContact O-N 3.06Å; G21-L25 PolarHBondContact O-N 3.19Å
22N79.9Confident80.5Confident142 Ų14284.6 Ų84.676%0.75946%0.457SS*.Hα-helixtrans-51-40.2-177.9-70.9-2.1000113.9E26N22-E26 WeakPolarHBondContact O-CB 3.02Å; N22-E26 PolarHBondContact O-N 3.21Å
23A77Confident80.7Confident77 Ų7779.8 Ų79.864%0.63644%0.435SS*.Hα-helixtrans-70.7-33.2179.600000113G21 R27G21-A23 PolarHBondContact O-N 2.97Å; G21-A23 VanDerWaalsContact O-N 3.09Å; A23-R27 PolarHBondContact O-N 3.14Å
24E79.9Confident80.7Confident113 Ų11380 Ų8053%0.52843%0.432SS..Hα-helixtrans-75-39.2176.3-62.7174.615400110.6L20 G21 R27 L28L20-E24 HydrophobicContact CB-CB 4.2Å; L20-E24 HydrophobicContact CD2-CB 4.08Å; G21-E24 PolarHBondContact N-OE2 3.38Å; G21-E24 VanDerWaalsContact N-OE2 3.14Å; G21-E24 WeakPolarHBondContact O-CB 3.15Å; G21-E24 PolarHBondContact O-N 3.06Å; E24-R27 PolarHBondContact O-N 3.08Å; E24-L28 WeakPolarHBondContact O-CB 3.45Å; E24-L28 PolarHBondContact O-N 2.67Å
25L79.2Confident80.8Confident28 Ų2885.1 Ų85.115%0.14746%0.456CS..Hα-helixtrans-61.9-46.9174.6178.661000111.6A14 L20 G21 R27 L28 I29A14-L25 HydrophobicContact CB-CD1 3.82Å; A14-L25 WeakPolarHBondContact O-CD1 3.34Å; L20-L25 HydrophobicContact CB-CB 4.43Å; G21-L25 PolarHBondContact O-N 3.19Å; L25-R27 VanDerWaalsContact C-N 3.28Å; L25-R27 PolarHBondContact O-N 3.04Å; L25-L28 PolarHBondContact O-N 2.88Å; L25-I29 HydrophobicContact CD1-CD1 4.25Å; L25-I29 HydrophobicContact CD1-CG1 4.47Å; L25-I29 HydrophobicContact CG-CD1 4.14Å; L25-I29 WeakPolarHBondContact O-CG1 3.48Å; L25-I29 PolarHBondContact O-N 3.2Å
26E83.1Confident81Confident124 Ų12483.2 Ų83.258%0.57944%0.439SS*.Hα-helixtrans-57.8-43.2175.4-174.9-178.5178.500111.2N22 I29 L30N22-E26 WeakPolarHBondContact O-CB 3.02Å; N22-E26 PolarHBondContact O-N 3.21Å; E26-I29 PolarHBondContact O-N 3.47Å; E26-L30 HydrophobicContact CG-CD1 4.33Å; E26-L30 WeakPolarHBondContact O-CG 3.47Å; E26-L30 PolarHBondContact O-N 3.05Å
27R83.3Confident80.9Confident175 Ų17584.5 Ų84.566%0.6643%0.432SS*.Hα-helixtrans-64.6-43.4177.4-163.3171.3110.8-166.82.8112.1A23 E24 L25 I29 L30 D31A23-R27 PolarHBondContact O-N 3.14Å; E24-R27 PolarHBondContact O-N 3.08Å; L25-R27 VanDerWaalsContact C-N 3.28Å; L25-R27 PolarHBondContact O-N 3.04Å; R27-I29 VanDerWaalsContact C-N 3.33Å; R27-I29 PolarHBondContact O-N 2.88Å; R27-L30 PolarHBondContact O-N 3.42Å; R27-D31 PolarHBondContact O-N 2.96Å
28L83.2Confident80.5Confident41 Ų4181.7 Ų81.722%0.21543%0.428CS..Hα-helixtrans-60.2-42.4176.5-179.867.2000111.9L20 E24 L25 D31 K32L20-L28 HydrophobicContact CD1-CD2 3.74Å; E24-L28 WeakPolarHBondContact O-CB 3.45Å; E24-L28 PolarHBondContact O-N 2.67Å; L25-L28 PolarHBondContact O-N 2.88Å; L28-D31 PolarHBondContact O-N 3.18Å; L28-K32 WeakPolarHBondContact O-CB 3.29Å; L28-K32 WeakPolarHBondContact O-CG 3.49Å; L28-K32 PolarHBondContact O-N 2.95Å
29I85.3Confident80.5Confident30 Ų3081.2 Ų81.215%0.15441%0.41CS..Hα-helixtrans-62.7-47.1177.2-68.8166.7000110.1I11 A14 L25 E26 R27 D31 K32 L33I11-I29 HydrophobicContact CG1-CG2 4.21Å; A14-I29 HydrophobicContact CB-CD1 3.96Å; A14-I29 HydrophobicContact CB-CG1 3.38Å; L25-I29 HydrophobicContact CD1-CD1 4.25Å; L25-I29 HydrophobicContact CD1-CG1 4.47Å; L25-I29 HydrophobicContact CG-CD1 4.14Å; L25-I29 WeakPolarHBondContact O-CG1 3.48Å; L25-I29 PolarHBondContact O-N 3.2Å; E26-I29 PolarHBondContact O-N 3.47Å; R27-I29 VanDerWaalsContact C-N 3.33Å; R27-I29 PolarHBondContact O-N 2.88Å; I29-D31 PolarHBondContact O-N 3.32Å; I29-K32 PolarHBondContact O-N 3.2Å; I29-L33 HydrophobicContact CG2-CD1 3.83Å; I29-L33 HydrophobicContact CG2-CG 4.33Å; I29-L33 WeakPolarHBondContact O-CB 3.41Å; I29-L33 VanDerWaalsContact O-CG 3.29Å; I29-L33 WeakPolarHBondContact O-CG 3.39Å; I29-L33 PolarHBondContact O-N 2.94Å
30L82.8Confident80.1Confident87 Ų8778.1 Ų78.146%0.45540%0.395SS..Hα-helixtrans-61.5-43.5178.9-73.5169.1000112.3E26 R27 L33 Y34E26-L30 HydrophobicContact CG-CD1 4.33Å; E26-L30 WeakPolarHBondContact O-CG 3.47Å; E26-L30 PolarHBondContact O-N 3.05Å; R27-L30 PolarHBondContact O-N 3.42Å; L30-L33 PolarHBondContact O-N 3.33Å; L30-Y34 WeakPolarHBondContact O-CB 3.45Å; L30-Y34 PolarHBondContact O-N 2.99Å
31D81.7Confident79.3Confident85 Ų8578.3 Ų78.346%0.45540%0.404SS..Hα-helixtrans-63.8-44.8178.2-71.8-16.6000110.9R27 L28 I29 L33 Y34 E35R27-D31 PolarHBondContact O-N 2.96Å; L28-D31 PolarHBondContact O-N 3.18Å; I29-D31 PolarHBondContact O-N 3.32Å; D31-L33 PolarHBondContact O-N 3.02Å; D31-Y34 PolarHBondContact O-N 3.03Å; D31-E35 PolarHBondContact O-N 3.33Å
32K85.5Confident78Confident49 Ų4982 Ų8221%0.21341%0.413CS..Hα-helixtrans-63.1-42176.3-80.1-169.6168.6-1680113.1I10 E13 L28 I29 Y34 E35 E36I10-K32 HydrophobicContact CG2-CB 3.62Å; I10-K32 HydrophobicContact CG2-CD 4.02Å; I10-K32 HydrophobicContact CG2-CG 4.49Å; E13-K32 IonicContact OE1-NZ 2.69Å; E13-K32 PolarHBondContact OE1-NZ 3.36Å; E13-K32 IonicContact OE2-NZ 2.74Å; E13-K32 PolarHBondContact OE2-NZ 2.96Å; L28-K32 WeakPolarHBondContact O-CB 3.29Å; L28-K32 WeakPolarHBondContact O-CG 3.49Å; L28-K32 PolarHBondContact O-N 2.95Å; I29-K32 PolarHBondContact O-N 3.2Å; K32-Y34 VanDerWaalsContact C-N 3.31Å; K32-E35 PolarHBondContact O-N 2.96Å; K32-E36 WeakPolarHBondContact O-CB 3.46Å; K32-E36 PolarHBondContact O-N 3.12Å
33L84.1Confident76.9Confident44 Ų4479.9 Ų79.923%0.2340%0.402CS..Hα-helixtrans-63.8-39.1176.4-74.6172.9000111.3E7 I10 I29 L30 D31 E36 N37E7-L33 HydrophobicContact CB-CD2 4.16Å; E7-L33 HydrophobicContact CG-CD2 3.77Å; I10-L33 HydrophobicContact CD1-CD2 4.08Å; I10-L33 HydrophobicContact CG2-CD2 4.41Å; I10-L33 HydrophobicContact CG2-CG 4.36Å; I29-L33 HydrophobicContact CG2-CD1 3.83Å; I29-L33 HydrophobicContact CG2-CG 4.33Å; I29-L33 WeakPolarHBondContact O-CB 3.41Å; I29-L33 VanDerWaalsContact O-CG 3.29Å; I29-L33 WeakPolarHBondContact O-CG 3.39Å; I29-L33 PolarHBondContact O-N 2.94Å; L30-L33 PolarHBondContact O-N 3.33Å; D31-L33 PolarHBondContact O-N 3.02Å; L33-E36 PolarHBondContact O-N 3.3Å; L33-N37 WeakPolarHBondContact O-CB 3.35Å; L33-N37 PolarHBondContact O-N 3.44Å
34Y80Confident75.8Confident117 Ų11783.3 Ų83.346%0.45940%0.403SS..Hα-helixtrans-64.4-48.5176179.6-97000111.8L30 D31 K32 E36 N37 C38L30-Y34 WeakPolarHBondContact O-CB 3.45Å; L30-Y34 PolarHBondContact O-N 2.99Å; D31-Y34 PolarHBondContact O-N 3.03Å; K32-Y34 VanDerWaalsContact C-N 3.31Å; Y34-E36 VanDerWaalsContact C-N 3.28Å; Y34-E36 PolarHBondContact O-N 3.33Å; Y34-N37 PolarHBondContact O-N 2.91Å; Y34-N37 VanDerWaalsContact O-N 3.11Å; Y34-C38 VanDerWaalsContact CE1-SG 3.51Å; Y34-C38 VanDerWaalsContact CZ-SG 3.52Å; Y34-C38 PolarHBondContact O-N 2.9Å; Y34-C38 PolarHBondContact O-SG 2.89Å; Y34-C38 VanDerWaalsContact O-SG 3.41Å
35E78.6Confident74.3Confident109 Ų10982.3 Ų82.351%0.50940%0.401SS..Hα-helixtrans-57-42.5175.6-75.8-177.8-175.900112D31 K32 C38 R39D31-E35 PolarHBondContact O-N 3.33Å; K32-E35 PolarHBondContact O-N 2.96Å; E35-C38 PolarHBondContact O-N 2.89Å; E35-R39 WeakPolarHBondContact O-CG 3.44Å; E35-R39 PolarHBondContact O-N 3.14Å
36E79.8Confident72.6Confident29 Ų2988 Ų8814%0.13643%0.427CS..Hα-helixtrans-63.6-42.5175.3175.4158.9-102.200112.5S6 I10 K32 L33 Y34 C38 R39 T40S6-E36 VanDerWaalsContact CB-CD 3.44Å; S6-E36 WeakPolarHBondContact CB-OE1 3.46Å; S6-E36 WeakPolarHBondContact CB-OE2 3.35Å; S6-E36 PolarHBondContact OG-OE1 2.72Å; S6-E36 PolarHBondContact OG-OE2 2.91Å; I10-E36 HydrophobicContact CD1-CB 3.97Å; I10-E36 HydrophobicContact CD1-CG 4.41Å; I10-E36 WeakPolarHBondContact CD1-OE2 3.41Å; K32-E36 WeakPolarHBondContact O-CB 3.46Å; K32-E36 PolarHBondContact O-N 3.12Å; L33-E36 PolarHBondContact O-N 3.3Å; Y34-E36 VanDerWaalsContact C-N 3.28Å; Y34-E36 PolarHBondContact O-N 3.33Å; E36-C38 VanDerWaalsContact C-N 3.31Å; E36-C38 PolarHBondContact O-N 2.91Å; E36-R39 PolarHBondContact O-N 2.94Å; E36-T40 HydrophobicContact CG-CG2 4.36Å; E36-T40 WeakPolarHBondContact O-CG2 3.24Å; E36-T40 PolarHBondContact O-N 2.71Å; E36-T40 PolarHBondContact O-OG1 2.8Å
37N76.9Confident70.6Confident87 Ų8787.2 Ų87.247%0.46543%0.431SS..Hα-helixtrans-65.1-37.7178-154.924.3000111.4L33 Y34 T40 A41L33-N37 WeakPolarHBondContact O-CB 3.35Å; L33-N37 PolarHBondContact O-N 3.44Å; Y34-N37 PolarHBondContact O-N 2.91Å; Y34-N37 VanDerWaalsContact O-N 3.11Å; N37-T40 WeakPolarHBondContact CA-OG1 3.44Å; N37-T40 PolarHBondContact O-N 2.77Å; N37-T40 PolarHBondContact O-OG1 2.91Å; N37-A41 VanDerWaalsContact O-CB 3.3Å; N37-A41 WeakPolarHBondContact O-CB 3.34Å; N37-A41 PolarHBondContact O-N 3.02Å
38C68.4Low68.4Low48 Ų4885.4 Ų85.432%0.32443%0.434SS..Hα-helixtrans-63.8-45172.5-70.10000112.2Y34 E35 E36 T40 A41 L42Y34-C38 VanDerWaalsContact CE1-SG 3.51Å; Y34-C38 VanDerWaalsContact CZ-SG 3.52Å; Y34-C38 PolarHBondContact O-N 2.9Å; Y34-C38 PolarHBondContact O-SG 2.89Å; Y34-C38 VanDerWaalsContact O-SG 3.41Å; E35-C38 PolarHBondContact O-N 2.89Å; E36-C38 VanDerWaalsContact C-N 3.31Å; E36-C38 PolarHBondContact O-N 2.91Å; C38-T40 PolarHBondContact O-N 2.73Å; C38-A41 PolarHBondContact O-N 3.33Å; C38-L42 WeakPolarHBondContact O-CG 3.39Å; C38-L42 PolarHBondContact O-N 2.84Å
39R76.4Confident65.9Low130 Ų13088 Ų8849%0.49146%0.455SS..Hα-helixtrans-61.6-43.7176.3-74.2-173.1-61.1-121.3-0.7112E35 E36 L42 N43E35-R39 WeakPolarHBondContact O-CG 3.44Å; E35-R39 PolarHBondContact O-N 3.14Å; E36-R39 PolarHBondContact O-N 2.94Å; R39-L42 PolarHBondContact O-N 3.49Å; R39-N43 PolarHBondContact O-N 2.81Å
40T74.4Confident63.2Low40 Ų4091 Ų9125%0.24548%0.479CS..Hα-helixtrans-69.5-33.7179.253.50000112.4F3 E36 N37 C38 K44F3-T40 HydrophobicContact CD2-CG2 4.39Å; F3-T40 HydrophobicContact CE2-CG2 4.08Å; E36-T40 HydrophobicContact CG-CG2 4.36Å; E36-T40 WeakPolarHBondContact O-CG2 3.24Å; E36-T40 PolarHBondContact O-N 2.71Å; E36-T40 PolarHBondContact O-OG1 2.8Å; N37-T40 WeakPolarHBondContact CA-OG1 3.44Å; N37-T40 PolarHBondContact O-N 2.77Å; N37-T40 PolarHBondContact O-OG1 2.91Å; C38-T40 PolarHBondContact O-N 2.73Å; T40-K44 WeakPolarHBondContact O-CG 3.34Å; T40-K44 PolarHBondContact O-N 3.28Å; T40-K44 VanDerWaalsContact O-N 3.13Å
41A63.7Low60.5Low50 Ų5094.3 Ų94.341%0.41350%0.498SS..Hα-helixtrans-66-38.7172.300000112.4N37 C38 N45N37-A41 VanDerWaalsContact O-CB 3.3Å; N37-A41 WeakPolarHBondContact O-CB 3.34Å; N37-A41 PolarHBondContact O-N 3.02Å; C38-A41 PolarHBondContact O-N 3.33Å; A41-N45 PolarHBondContact O-ND2 2.98Å
42L55.9Low58.2Low116 Ų11697.1 Ų97.161%0.60752%0.517SS*.Hα-helixtrans-68.5-46.1175.5-73.5167.9000111.8C38 R39 K44 N45 E46C38-L42 WeakPolarHBondContact O-CG 3.39Å; C38-L42 PolarHBondContact O-N 2.84Å; R39-L42 PolarHBondContact O-N 3.49Å; L42-K44 VanDerWaalsContact C-N 3.28Å; L42-K44 PolarHBondContact O-N 3.29Å; L42-N45 PolarHBondContact O-N 3.02Å; L42-E46 PolarHBondContact O-N 2.88Å
43N55.6Low55.4Low99 Ų99103.5 Ų103.553%0.52955%0.548SS..Hα-helixtrans-65-29.7-179.9-73.1-5000113.2R39 N45 E46 T47R39-N43 PolarHBondContact O-N 2.81Å; N43-N45 PolarHBondContact O-N 3.49Å; N43-E46 PolarHBondContact O-N 3.49Å; N43-T47 PolarHBondContact O-N 3.48Å; N43-T47 VanDerWaalsContact O-N 3.14Å; N43-T47 PolarHBondContact O-OG1 3.26Å
44K54.4Low52.7Low149 Ų149109.3 Ų109.365%0.64858%0.578SS**Hα-helixtrans-65.5-27.3171.9-83.2-179.4178.61770112.9T40 L42 N48T40-K44 WeakPolarHBondContact O-CG 3.34Å; T40-K44 PolarHBondContact O-N 3.28Å; T40-K44 VanDerWaalsContact O-N 3.13Å; L42-K44 VanDerWaalsContact C-N 3.28Å; L42-K44 PolarHBondContact O-N 3.29Å; K44-N48 PolarHBondContact O-ND2 3.41Å
45N48.5Very low50.2Low92 Ų92108.5 Ų108.549%0.49260%0.596SS.*Hα-helixtrans-85.5-31.7178.5-65.8-27.6000111.9A41 L42 N43 N48 S49A41-N45 PolarHBondContact O-ND2 2.98Å; L42-N45 PolarHBondContact O-N 3.02Å; N43-N45 PolarHBondContact O-N 3.49Å; N45-N48 PolarHBondContact O-N 2.94Å; N45-S49 PolarHBondContact O-N 2.89Å; N45-S49 PolarHBondContact O-OG 3.39Å
46E43.3Very low47.8Very low147 Ų147111 Ų11169%0.68761%0.608SS**Hα-helixtrans-71-37.3174.1-83.6-173.3157.100112.6L42 N43 N48 S49L42-E46 PolarHBondContact O-N 2.88Å; N43-E46 PolarHBondContact O-N 3.49Å; E46-N48 PolarHBondContact O-N 3.45Å; E46-S49 PolarHBondContact O-N 3.5Å
47T40.7Very low45.2Very low107 Ų107118.4 Ų118.466%0.65664%0.643SS**THydrogen-bonded Turntrans-67.9-16.5177.135.10000114N43N43-T47 PolarHBondContact O-N 3.48Å; N43-T47 VanDerWaalsContact O-N 3.14Å; N43-T47 PolarHBondContact O-OG1 3.26Å
48N37Very low42.9Very low138 Ų138120.1 Ų120.174%0.73866%0.661SS**THydrogen-bonded Turntrans-96.5-0.6172.8-68.6-26.5000113.7K44 N45 E46K44-N48 PolarHBondContact O-ND2 3.41Å; N45-N48 PolarHBondContact O-N 2.94Å; E46-N48 PolarHBondContact O-N 3.45Å
49S31Very low40.9Very low94 Ų94130 Ų13066%0.65769%0.692SS**SBendtrans-104.6-0.5-173.1-61.30000114.5N45 E46 N51N45-S49 PolarHBondContact O-N 2.89Å; N45-S49 PolarHBondContact O-OG 3.39Å; E46-S49 PolarHBondContact O-N 3.5Å; S49-N51 PolarHBondContact O-N 3.03Å
50S27.7Very low38.5Very low94 Ų94127.1 Ų127.166%0.65770%0.703SS**SBendtrans-95.955.9173.971.90000112.3
51N27Very low36.2Very low157 Ų157135.2 Ų135.284%0.8474%0.738SS**SBendtrans-176.357.7161.7-106.8-8.3000113.5S49S49-N51 PolarHBondContact O-N 3.03Å
52V32.5Very low34.4Very low143 Ų143136.2 Ų136.287%0.86775%0.753SS**  trans-143.694154.8-171.40000108.1
53Q27.6Very low33Very low184 Ų184138.6 Ų138.686%0.8676%0.764SS**  trans-58.1138.6162.4-82.6171.3-13.800109.3A55Q53-A55 PolarHBondContact O-N 3.35Å; Q53-A55 VanDerWaalsContact O-N 3.13Å
54L27.3Very low31.6Very low165 Ų165138 Ų13886%0.86477%0.773SS**  trans-44.2112.2164.8-74.4132000110.5
55A28.4Very low30.3Very low101 Ų101137.9 Ų137.984%0.83578%0.78SS**  trans-118.195.2158.300000106.4Q53Q53-A55 PolarHBondContact O-N 3.35Å; Q53-A55 VanDerWaalsContact O-N 3.13Å
56E26.7Very low29.1Very low161 Ų161138.4 Ų138.475%0.75279%0.791SS**  trans-62.6149169.9-72.7177.5135.200111
57E25.5Very low28.5Very low185 Ų185137.6 Ų137.686%0.86480%0.795SS**  trans56.9103149.7-66.2-176150.200119.4
58S29Very low27.6Very low123 Ų123138.3 Ų138.386%0.8680%0.8SS**  -154.8112.2129-156.70000111.6
59R26.3Very low27.3Very low255 Ų255137.8 Ų137.896%0.96280%0.802SS**  trans-72.6117.6168.6-128176.3175.1-176-2.4107.3
60G26.8Very low27.1Very low70 Ų70142.2 Ų142.272%0.72281%0.809SS**  trans-152.897.6175.900000111.2
61E25.3Very low27.2Very low210 Ų210145.8 Ų145.898%0.98182%0.82SS**  trans-61.5128.8163.8-72.1170.6131.700109.4
62G26.4Very low27Very low71 Ų71143.6 Ų143.673%0.73281%0.813SS**  trans-164.175.1-175.100000112.4
63I27Very low26.7Very low165 Ų165145 Ų14585%0.84681%0.81SS**  trans23.4125.4142.2-52.1174.5000118.1
64A24.6Very low26.8Very low86 Ų86143.5 Ų143.571%0.71181%0.808SS**  trans-40.3134167.600000116.4
65N28Very low26.7Very low148 Ų148141.3 Ų141.379%0.79181%0.806SS**  trans-155.4106.8146.8-83.3-41.1000106.6
66S23.2Very low26.8Very low103 Ų103144.1 Ų144.172%0.7281%0.806SS**  49.2110.499.375.30000114
67V30.8Very low26.8Very low130 Ų130141.8 Ų141.879%0.78881%0.807SS**  175.9123.3126.6156.90000109T69V67-T69 PolarHBondContact O-N 3.16Å
68T21.6Very low27.2Very low121 Ų121138.8 Ų138.874%0.74280%0.804SS**  trans-54.4117.7173.1-44.10000111.9K70T68-K70 HydrophobicContact CG2-CG 4.4Å
69T30.9Very low27Very low128 Ų128140.4 Ų140.479%0.78580%0.802SS**  trans-114104.1156.131.30000108.7V67 L71V67-T69 PolarHBondContact O-N 3.16Å; T69-L71 PolarHBondContact O-N 2.76Å
70K27.4Very low27.1Very low186 Ų186134.7 Ų134.781%0.80980%0.796SS**  trans-60.8116.3166.5-70.7175.4174.4178.80108.1T68T68-K70 HydrophobicContact CG2-CG 4.4Å
71L29.4Very low27.2Very low169 Ų169137.4 Ų137.489%0.88580%0.799SS**  trans-119.589.6159-113.3140.9000107.2T69T69-L71 PolarHBondContact O-N 2.76Å
72T22.8Very low27.3Very low112 Ų112134.9 Ų134.969%0.68779%0.792SS**  trans-68.4155.8162.913.50000110.2
73E26.3Very low27.3Very low173 Ų173139.5 Ų139.581%0.80880%0.795SS**  trans85.193.2166.7-60.3178.4152.400117.3
74N28.2Very low27.5Very low152 Ų152138.9 Ų138.981%0.81379%0.792SS**  -173.9114.597.1-92.4-25.4000111.8L76N74-L76 PolarHBondContact O-N 3.44Å
75S25.7Very low27.6Very low119 Ų119141.2 Ų141.283%0.83279%0.792SS**  trans-75.4110.8171.8-520000109.6
76L31Very low27.9Very low159 Ų159136.8 Ų136.883%0.83277%0.772SS**  trans-128.687.3161-93.4148.3000106.7N74 P78N74-L76 PolarHBondContact O-N 3.44Å; L76-P78 VanDerWaalsContact O-CD 3.28Å; L76-P78 WeakPolarHBondContact O-CD 3.37Å
77S27Very low28.6Very low112 Ų112138.6 Ų138.678%0.78377%0.772SS**  trans-60.8119.3172.8-5.20000108.8L79S77-L79 PolarHBondContact O-N 2.81Å
78P33Very low28.8Very low123 Ų123135.3 Ų135.380%0.79976%0.755SS**  trans-67.4130.3168.7-15.130.4000109.2L76 T80L76-P78 VanDerWaalsContact O-CD 3.28Å; L76-P78 WeakPolarHBondContact O-CD 3.37Å; P78-T80 PolarHBondContact O-N 3.33Å
79L25.5Very low29.7Very low156 Ų156134.8 Ų134.882%0.81775%0.751SS**  trans-44.8128.3173.7-156.469.8000110.9S77 T81S77-L79 PolarHBondContact O-N 2.81Å; L79-T81 PolarHBondContact O-N 3.09Å
80T28.2Very low30.3Very low136 Ų136131.2 Ų131.283%0.83473%0.732SS**  trans-5992.9174.340.10000110.4P78P78-T80 PolarHBondContact O-N 3.33Å
81T28.2Very low31.3Very low127 Ų127128 Ų12878%0.77972%0.719SS**  trans-82.9121.3165.1-50.10000107.6L79 Q83L79-T81 PolarHBondContact O-N 3.09Å; T81-Q83 PolarHBondContact O-N 2.79Å; T81-Q83 VanDerWaalsContact O-N 3.16Å
82D28.5Very low32.1Very low156 Ų156125.3 Ų125.383%0.83470%0.704SS**  trans-34.6114.1178.5-75.5-47.7000112.9L84D82-L84 PolarHBondContact O-N 2.9Å
83Q26.6Very low33.6Very low169 Ų169125.4 Ų125.479%0.7970%0.695SS**  trans-62.1105.1166.9-90.3-166.228.500108.2T81 N85T81-Q83 PolarHBondContact O-N 2.79Å; T81-Q83 VanDerWaalsContact O-N 3.16Å; Q83-N85 PolarHBondContact O-N 2.69Å
84L30.2Very low34.8Very low151 Ų151121.6 Ų121.679%0.79168%0.683SS**  trans-57.4103.2155.7-89.4154.4000107.1D82 P86D82-L84 PolarHBondContact O-N 2.9Å; L84-P86 WeakPolarHBondContact O-CD 3.39Å
85N28.1Very low36.3Very low135 Ų135116.6 Ų116.672%0.72266%0.66SS**  trans-53.4110172.3-78.7-34.9000108.7Q83 I87Q83-N85 PolarHBondContact O-N 2.69Å; N85-I87 PolarHBondContact O-N 3.28Å
86P34.1Very low38.1Very low56 Ų56115.2 Ų115.236%0.36466%0.656SS.*  trans-63.1132168.627-30.3000107L84 S88L84-P86 WeakPolarHBondContact O-CD 3.39Å; P86-S88 PolarHBondContact O-N 2.84Å
87I36.3Very low40.2Very low141 Ų141111.1 Ų111.172%0.72364%0.635SS**  trans-68.488.9172-60.1171.8000105.7N85 V89N85-I87 PolarHBondContact O-N 3.28Å; I87-V89 PolarHBondContact O-N 3.11Å
88S35.2Very low42.6Very low60 Ų60106.6 Ų106.642%0.4260%0.601SS.*  trans-75.192.3-177.1-170.30000108.9P86 S90P86-S88 PolarHBondContact O-N 2.84Å; S88-S90 PolarHBondContact O-N 3.08Å; S88-S90 WeakPolarHBondContact OG-CB 3.44Å
89V41.5Very low45Very low110 Ų110104 Ų10467%0.66758%0.578SS**  trans-86.273.6153.8-173.70000105.6I87 Q91I87-V89 PolarHBondContact O-N 3.11Å; V89-Q91 PolarHBondContact O-N 2.86Å
90S43Very low47.8Very low54 Ų5496.6 Ų96.638%0.37854%0.54SS..  trans-74.5106.9177.962.30000109.3S88 M92S88-S90 PolarHBondContact O-N 3.08Å; S88-S90 WeakPolarHBondContact OG-CB 3.44Å; S90-M92 PolarHBondContact O-N 3.4Å
91Q48Very low50.6Low117 Ų11792.4 Ų92.455%0.54751%0.511SS..EExtended strand (participates in β ladder)trans-83.6104163.5-161.3173.31.600107.2V89V89-Q91 PolarHBondContact O-N 2.86Å
92M46.1Very low53.3Low114 Ų11487.4 Ų87.456%0.56248%0.481SS*.EExtended strand (participates in β ladder)trans-90.8122173.5-87.5180159.400109.2S90S90-M92 PolarHBondContact O-N 3.4Å
93K55.3Low56.1Low113 Ų11381.8 Ų81.849%0.49145%0.449SS..EExtended strand (participates in β ladder)trans-125.1127167.9-161.2175.7-172.2179.60108.6V100 D163K93-V100 PolarHBondContact N-O 2.97Å; K93-V100 PolarHBondContact O-N 3.23Å; K93-V100 VanDerWaalsContact O-N 3.14Å; K93-D163 IonicContact NZ-OD2 2.71Å; K93-D163 PolarHBondContact NZ-OD2 2.99Å
94T51Low58.7Low94 Ų9475.5 Ų75.558%0.57742%0.423SS*.EExtended strand (participates in β ladder)trans-105.9111.4173.448.80000108.4F98 E99T94-F98 WeakPolarHBondContact CA-O 3.48Å; T94-E99 HydrophobicContact CG2-CG 4.28Å
95S60.5Low60.8Low46 Ų4670.3 Ų70.332%0.32240%0.395SS..  trans-83.4165.4152.462.40000108.2D97 F98S95-D97 PolarHBondContact O-N 2.92Å; S95-F98 PolarHBondContact N-O 3.37Å; S95-F98 PolarHBondContact O-N 3.12Å; S95-F98 VanDerWaalsContact O-O 3.13Å; S95-F98 WeakPolarHBondContact OG-CB 3.4Å; S95-F98 WeakPolarHBondContact OG-CD2 3.47Å; S95-F98 PolarHBondContact OG-N 3.3Å; S95-F98 PolarHBondContact OG-O 3.13Å
96A62.7Low62.9Low91 Ų9164.5 Ų64.575%0.75237%0.366SS*.SBendtrans-52.6-30.8-179.400000112.2
97D74.7Confident64.5Low72 Ų7270.8 Ų70.839%0.38538%0.382SS..SBendtrans-107.1-15.3-172.1-62.6-54.6000114.4S95 K135 S136S95-D97 PolarHBondContact O-N 2.92Å; D97-K135 PolarHBondContact O-N 2.86Å; D97-S136 VanDerWaalsContact CB-OG 3.25Å; D97-S136 WeakPolarHBondContact CB-OG 3.09Å; D97-S136 WeakPolarHBondContact OD1-CB 3.38Å; D97-S136 PolarHBondContact OD1-OG 3.21Å
98F78.1Confident66Low17 Ų1767.9 Ų67.98%0.07537%0.368CS..EExtended strand (participates in β ladder)trans-139.7138.7-172.3-54.7-94.8000112.5T94 S95 V132 R134 L140 P160T94-F98 WeakPolarHBondContact CA-O 3.48Å; S95-F98 PolarHBondContact N-O 3.37Å; S95-F98 PolarHBondContact O-N 3.12Å; S95-F98 VanDerWaalsContact O-O 3.13Å; S95-F98 WeakPolarHBondContact OG-CB 3.4Å; S95-F98 WeakPolarHBondContact OG-CD2 3.47Å; S95-F98 PolarHBondContact OG-N 3.3Å; S95-F98 PolarHBondContact OG-O 3.13Å; F98-V132 HydrophobicContact CD1-CG1 4.24Å; F98-R134 HydrophobicContact CD1-CB 4.4Å; F98-R134 HydrophobicContact CD1-CG 3.7Å; F98-R134 HydrophobicContact CE1-CB 4.42Å; F98-R134 HydrophobicContact CE1-CG 3.64Å; F98-L140 HydrophobicContact CD1-CD1 4.01Å; F98-L140 HydrophobicContact CE1-CD1 3.91Å; F98-P160 HydrophobicContact CB-CB 4.17Å; F98-P160 HydrophobicContact CB-CG 4.29Å; F98-P160 HydrophobicContact CD2-CG 4.1Å; F98-P160 HydrophobicContact CG-CB 4.45Å; F98-P160 HydrophobicContact CG-CG 4.06Å
99E82.4Confident67.3Low68 Ų6865.8 Ų65.832%0.31835%0.353SS..EExtended strand (participates in β ladder)trans-113.6118.8167.9-176.3169.7166.800108.9T94 V132 A133 K135T94-E99 HydrophobicContact CG2-CG 4.28Å; E99-V132 WeakPolarHBondContact O-CA 3.33Å; E99-A133 HydrophobicContact CB-CB 4.39Å; E99-A133 PolarHBondContact N-O 2.89Å; E99-A133 PolarHBondContact O-N 3.43Å; E99-K135 IonicContact OE2-NZ 3.57Å
100V85.3Confident68.4Low1 Ų166 Ų661%0.00635%0.35CS..EExtended strand (participates in β ladder)trans-114.9128.4-178-178.30000109.1K93 I130 T131 V132 P160 L161 V164K93-V100 PolarHBondContact N-O 2.97Å; K93-V100 PolarHBondContact O-N 3.23Å; K93-V100 VanDerWaalsContact O-N 3.14Å; V100-I130 HydrophobicContact CG1-CG2 4.05Å; V100-T131 WeakPolarHBondContact CA-O 3.5Å; V100-V132 HydrophobicContact CG2-CG1 4.25Å; V100-V132 HydrophobicContact CG2-CG2 4.37Å; V100-P160 HydrophobicContact CG2-CB 4.14Å; V100-L161 HydrophobicContact CG1-CD2 3.6Å; V100-L161 HydrophobicContact CG2-CD2 4.17Å; V100-L161 HydrophobicContact CG2-CG 4.46Å; V100-V164 HydrophobicContact CG1-CG2 3.94Å
101Q86.4Confident69.4Low49 Ų4966.3 Ų66.323%0.22935%0.352CS..EExtended strand (participates in β ladder)trans-125.2129.3173.2-178.6175.62.900109E103 I130 T131Q101-E103 HydrophobicContact CG-CG 4.25Å; Q101-E103 PolarHBondContact NE2-OE1 2.96Å; Q101-I130 CarbonylContact O-C 3.56Å; Q101-I130 WeakPolarHBondContact O-CA 3.39Å; Q101-T131 PolarHBondContact N-O 3.4Å; Q101-T131 PolarHBondContact O-N 3.48Å
102C86.3Confident70.4Confident22 Ų2261 Ų6115%0.14933%0.327CS..EExtended strand (participates in β ladder)trans-115128.6174.5-174.40000109.7Q129 I130 V164C102-Q129 WeakPolarHBondContact CA-O 3.35Å; C102-I130 HydrophobicContact CB-CG1 4.46Å; C102-V164 HydrophobicContact CB-CG1 3.62Å
103E85.7Confident71.4Confident37 Ų3759.8 Ų59.817%0.17333%0.328CS..EExtended strand (participates in β ladder)trans-122.7135.5178.2-64.7-176.8166.100110Q101 L105 F128 Q129Q101-E103 HydrophobicContact CG-CG 4.25Å; Q101-E103 PolarHBondContact NE2-OE1 2.96Å; E103-L105 PolarHBondContact O-N 2.82Å; E103-F128 CarbonylContact O-C 3.32Å; E103-F128 VanDerWaalsContact O-CA 3.29Å; E103-F128 WeakPolarHBondContact O-CA 3.4Å; E103-Q129 PolarHBondContact N-O 2.86Å; E103-Q129 PolarHBondContact O-N 2.83Å
104T82.2Confident72.1Confident38 Ų3855.3 Ų55.323%0.23331%0.309CS..EExtended strand (participates in β ladder)trans-83.6112.5171.5-54.70000108.2F128T104-F128 HydrophobicContact CG2-CD1 4.28Å; T104-F128 HydrophobicContact CG2-CE1 4Å; T104-F128 VanDerWaalsContact OG1-CE1 3.29Å; T104-F128 WeakPolarHBondContact OG1-CE1 3.46Å
105L74.9Confident72.9Confident41 Ų4154.2 Ų54.222%0.21530%0.295CS..EExtended strand (participates in β ladder)trans-80.4-49.6-178.7-68.5178.4000111.2E103 F112 Y127 Q129E103-L105 PolarHBondContact O-N 2.82Å; L105-F112 HydrophobicContact CB-CD2 4.12Å; L105-F112 HydrophobicContact CD1-CD2 3.75Å; L105-F112 HydrophobicContact CD1-CE2 3.42Å; L105-F112 VanDerWaalsContact CD1-CE2 3.42Å; L105-Y127 PolarHBondContact N-O 2.97Å; L105-Q129 HydrophobicContact CD1-CB 3.64Å; L105-Q129 HydrophobicContact CD2-CB 4.07Å; L105-Q129 HydrophobicContact CG-CB 3.81Å
106S70.8Confident73.4Confident14 Ų1458.9 Ų58.910%0.09831%0.312CS..EExtended strand (participates in β ladder)trans-160.6155.9-179.8-167.70000113.8D108 S111 Y127S106-D108 WeakPolarHBondContact CB-O 3.36Å; S106-D108 PolarHBondContact OG-N 3.15Å; S106-D108 PolarHBondContact OG-O 2.66Å; S106-S111 WeakPolarHBondContact CB-OG 3.31Å; S106-S111 PolarHBondContact OG-OG 3.01Å; S106-Y127 PolarHBondContact N-O 2.82Å; S106-Y127 PolarHBondContact O-N 3.19Å
107R69.3Low73.7Confident188 Ų18856.1 Ų56.171%0.70929%0.285SS*.SBendtrans-98.6-15.6164.2-48.5-170.5160.8177.3-0.8112.2Y126R107-Y126 HydrophobicContact CB-CD1 4.13Å; R107-Y126 HydrophobicContact CB-CE1 3.97Å; R107-Y126 HydrophobicContact CG-CD1 3.78Å; R107-Y126 HydrophobicContact CG-CE1 3.52Å
108D66.8Low73.4Confident79 Ų7952.9 Ų52.942%0.42227%0.268SS..SBendtrans-103.1117.9175.7-175-8.3000108.4S106 L110 S111S106-D108 WeakPolarHBondContact CB-O 3.36Å; S106-D108 PolarHBondContact OG-N 3.15Å; S106-D108 PolarHBondContact OG-O 2.66Å; D108-L110 PolarHBondContact O-N 3.22Å; D108-L110 WeakPolarHBondContact OD1-CB 3.3Å; D108-L110 PolarHBondContact OD1-N 2.92Å; D108-S111 PolarHBondContact O-N 3.11Å; D108-S111 PolarHBondContact O-OG 3.35Å; D108-S111 VanDerWaalsContact O-OG 3.14Å
109P61.5Low72.6Confident17 Ų1754.5 Ų54.511%0.1128%0.28CS..G310 helixtrans-52.8-38.7175.826-39.2000112.4S111 F112 Y115 R122 Y127P109-S111 PolarHBondContact O-N 3.44Å; P109-S111 VanDerWaalsContact O-N 3.17Å; P109-F112 VanDerWaalsContact O-CB 3.28Å; P109-F112 WeakPolarHBondContact O-CB 3.05Å; P109-F112 PolarHBondContact O-N 2.97Å; P109-Y115 HydrophobicContact CB-CD2 4.03Å; P109-Y115 HydrophobicContact CB-CE2 3.97Å; P109-Y115 WeakPolarHBondContact O-CD2 3.36Å; P109-R122 HydrophobicContact CB-CB 3.56Å; P109-R122 HydrophobicContact CB-CG 4.34Å; P109-R122 HydrophobicContact CG-CB 3.46Å; P109-R122 VanDerWaalsContact CG-CB 3.46Å; P109-R122 WeakPolarHBondContact CG-O 3.13Å; P109-Y127 VanDerWaalsContact CA-CE2 3.43Å; P109-Y127 HydrophobicContact CB-CE2 3.68Å
110L66.3Low71.7Confident114 Ų11453.4 Ų53.460%0.59729%0.287SS*.G310 helixtrans-62.8-27.4-172.5-75.6162.1000113.9D108 Y115D108-L110 PolarHBondContact O-N 3.22Å; D108-L110 WeakPolarHBondContact OD1-CB 3.3Å; D108-L110 PolarHBondContact OD1-N 2.92Å; L110-Y115 HydrophobicContact CB-CE2 4.35Å; L110-Y115 HydrophobicContact CD2-CE1 3.75Å; L110-Y115 HydrophobicContact CD2-CE2 3.62Å; L110-Y115 WeakPolarHBondContact CD2-OH 3.47Å; L110-Y115 HydrophobicContact CG-CE2 3.87Å
111S63.6Low70.4Confident61 Ų6159.3 Ų59.343%0.42733%0.325SS..G310 helixtrans-92.2-0.6178.660.80000113.7S106 D108 P109S106-S111 WeakPolarHBondContact CB-OG 3.31Å; S106-S111 PolarHBondContact OG-OG 3.01Å; D108-S111 PolarHBondContact O-N 3.11Å; D108-S111 PolarHBondContact O-OG 3.35Å; D108-S111 VanDerWaalsContact O-OG 3.14Å; P109-S111 PolarHBondContact O-N 3.44Å; P109-S111 VanDerWaalsContact O-N 3.17Å
112F67.9Low69.5Low4 Ų459.5 Ų59.52%0.01832%0.324CS..SBendtrans-76.7130.2179.7173.8-114.1000111.1L105 P109 L114 Y115 I118 Y127 L172 H197L105-F112 HydrophobicContact CB-CD2 4.12Å; L105-F112 HydrophobicContact CD1-CD2 3.75Å; L105-F112 HydrophobicContact CD1-CE2 3.42Å; L105-F112 VanDerWaalsContact CD1-CE2 3.42Å; P109-F112 VanDerWaalsContact O-CB 3.28Å; P109-F112 WeakPolarHBondContact O-CB 3.05Å; P109-F112 PolarHBondContact O-N 2.97Å; F112-L114 VanDerWaalsContact CD1-C 3.46Å; F112-L114 HydrophobicContact CD1-CB 4.14Å; F112-L114 HydrophobicContact CE1-CB 3.43Å; F112-L114 VanDerWaalsContact CE1-CB 3.43Å; F112-L114 HydrophobicContact CE1-CG 4.39Å; F112-L114 HydrophobicContact CZ-CB 3.81Å; F112-L114 HydrophobicContact CZ-CD1 4.36Å; F112-L114 HydrophobicContact CZ-CG 4.3Å; F112-L114 PolarHBondContact O-N 3.45Å; F112-L114 VanDerWaalsContact O-N 3.09Å; F112-Y115 WeakPolarHBondContact O-CB 3.29Å; F112-Y115 PolarHBondContact O-N 3.27Å; F112-I118 HydrophobicContact CD1-CD1 3.44Å; F112-I118 VanDerWaalsContact CD1-CD1 3.44Å; F112-I118 HydrophobicContact CD1-CG1 4.33Å; F112-I118 HydrophobicContact CE1-CD1 3.78Å; F112-I118 HydrophobicContact CE1-CG1 4.26Å; F112-I118 HydrophobicContact CG-CD1 4.45Å; F112-Y127 HydrophobicContact CB-CD2 4.33Å; F112-Y127 HydrophobicContact CB-CG 4.22Å; F112-Y127 HydrophobicContact CD1-CD1 4.13Å; F112-Y127 HydrophobicContact CD1-CG 4.36Å; F112-Y127 HydrophobicContact CD2-CD1 4.38Å; F112-Y127 HydrophobicContact CD2-CG 4.02Å; F112-Y127 HydrophobicContact CE1-CD1 4.24Å; F112-Y127 HydrophobicContact CE2-CG 4.49Å; F112-Y127 HydrophobicContact CG-CD1 4.18Å; F112-Y127 AromaticContact CG-CG 3.95Å; F112-Y127 HydrophobicContact CG-CG 3.95Å; F112-Y127 HydrophobicContact CZ-CD1 4.47Å; F112-L172 HydrophobicContact CD1-CD1 4.5Å; F112-L172 HydrophobicContact CE1-CD1 3.53Å; F112-L172 HydrophobicContact CZ-CD1 3.76Å; F112-H197 AromaticContact CE2-ND1 3.78Å; F112-H197 HydrophobicContact CZ-CB 4.05Å; F112-H197 AromaticContact CZ-ND1 3.82Å
113P67.3Low68.7Low90 Ų9067 Ų6758%0.58435%0.354SS*.THydrogen-bonded Turntrans-56-32.6-174.6-29.535.8000115.1
114L70.2Confident68.2Low18 Ų1870.9 Ų70.99%0.09438%0.376CS..THydrogen-bonded Turntrans-100.229.7176.9-52.9174.7000112.1F112 H116 V117 A173 H197F112-L114 VanDerWaalsContact CD1-C 3.46Å; F112-L114 HydrophobicContact CD1-CB 4.14Å; F112-L114 HydrophobicContact CE1-CB 3.43Å; F112-L114 VanDerWaalsContact CE1-CB 3.43Å; F112-L114 HydrophobicContact CE1-CG 4.39Å; F112-L114 HydrophobicContact CZ-CB 3.81Å; F112-L114 HydrophobicContact CZ-CD1 4.36Å; F112-L114 HydrophobicContact CZ-CG 4.3Å; F112-L114 PolarHBondContact O-N 3.45Å; F112-L114 VanDerWaalsContact O-N 3.09Å; L114-H116 PolarHBondContact O-N 2.97Å; L114-H116 VanDerWaalsContact O-N 3.11Å; L114-V117 HydrophobicContact CB-CB 4.36Å; L114-V117 HydrophobicContact CB-CG2 4.03Å; L114-V117 WeakPolarHBondContact O-CB 3.46Å; L114-V117 PolarHBondContact O-N 2.92Å; L114-A173 HydrophobicContact CD1-CB 3.55Å; L114-H197 HydrophobicContact CD1-CB 4.07Å; L114-H197 VanDerWaalsContact CD1-CD2 3.4Å; L114-H197 WeakPolarHBondContact CD1-CD2 3.44Å
115Y69Low68.1Low72 Ų7271 Ų7128%0.28237%0.374SS..G310 helixtrans-52-34.9179.6173.1-104.8000113.5P109 L110 F112 V117 I118 R122P109-Y115 HydrophobicContact CB-CD2 4.03Å; P109-Y115 HydrophobicContact CB-CE2 3.97Å; P109-Y115 WeakPolarHBondContact O-CD2 3.36Å; L110-Y115 HydrophobicContact CB-CE2 4.35Å; L110-Y115 HydrophobicContact CD2-CE1 3.75Å; L110-Y115 HydrophobicContact CD2-CE2 3.62Å; L110-Y115 WeakPolarHBondContact CD2-OH 3.47Å; L110-Y115 HydrophobicContact CG-CE2 3.87Å; F112-Y115 WeakPolarHBondContact O-CB 3.29Å; F112-Y115 PolarHBondContact O-N 3.27Å; Y115-V117 PolarHBondContact O-N 3.5Å; Y115-I118 PolarHBondContact O-N 3.39Å; Y115-R122 PolarHBondContact O-NH1 2.9Å; Y115-R122 PolarHBondContact OH-NH1 3.3Å
116H69.7Low68.5Low144 Ų14471.8 Ų71.867%0.66737%0.374SS*.G310 helixtrans-68-16.6178.860.7-84.1000113.6L114L114-H116 PolarHBondContact O-N 2.97Å; L114-H116 VanDerWaalsContact O-N 3.11Å
117V69.8Low69.3Low33 Ų3371.1 Ų71.120%0.237%0.369CS..G310 helixtrans-91.2-14.3-179.1-172.20000112.2L114 Y115 P119 P178L114-V117 HydrophobicContact CB-CB 4.36Å; L114-V117 HydrophobicContact CB-CG2 4.03Å; L114-V117 WeakPolarHBondContact O-CB 3.46Å; L114-V117 PolarHBondContact O-N 2.92Å; Y115-V117 PolarHBondContact O-N 3.5Å; V117-P119 WeakPolarHBondContact O-CD 3.43Å; V117-P178 HydrophobicContact CG1-CB 3.77Å; V117-P178 HydrophobicContact CG1-CG 4.46Å
118I68.6Low70.2Confident4 Ų463.3 Ų63.32%0.02134%0.341CS..  trans-87.5108.2-175.7-57.2163.9000110.2F112 Y115 R122 Y127 L172F112-I118 HydrophobicContact CD1-CD1 3.44Å; F112-I118 VanDerWaalsContact CD1-CD1 3.44Å; F112-I118 HydrophobicContact CD1-CG1 4.33Å; F112-I118 HydrophobicContact CE1-CD1 3.78Å; F112-I118 HydrophobicContact CE1-CG1 4.26Å; F112-I118 HydrophobicContact CG-CD1 4.45Å; Y115-I118 PolarHBondContact O-N 3.39Å; I118-R122 VanDerWaalsContact O-CZ 3.3Å; I118-R122 PolarHBondContact O-NH2 3.38Å; I118-Y127 HydrophobicContact CD1-CD1 3.87Å; I118-Y127 HydrophobicContact CD1-CE1 3.21Å; I118-Y127 HydrophobicContact CG1-CE1 4.16Å; I118-L172 HydrophobicContact CD1-CD1 4.04Å; I118-L172 HydrophobicContact CG1-CD1 3.75Å; I118-L172 HydrophobicContact CG1-CD2 4.11Å
119P61.7Low71.2Confident50 Ų5060.9 Ų60.933%0.32533%0.326SS..  trans-81.9151.6170.135-36.9000111.2V117V117-P119 WeakPolarHBondContact O-CD 3.43Å
120G62.2Low72.6Confident46 Ų4660.1 Ų60.147%0.47432%0.321SS..SBendtrans91.7-172.5168.100000115.6R122G120-R122 WeakPolarHBondContact O-CG 3.21Å; G120-R122 PolarHBondContact O-N 3.47Å
121P58.9Low73.7Confident124 Ų12456.7 Ų56.781%0.80531%0.305SS*.  trans-67.8123.5-17826.5-32.7000111
122R66.2Low74.8Confident53 Ų5353.8 Ų53.820%0.229%0.285CS..  trans-99.911.9-165.9-45-178.1-168.9-147.2-2.3113.9P109 Y115 I118 G120P109-R122 HydrophobicContact CB-CB 3.56Å; P109-R122 HydrophobicContact CB-CG 4.34Å; P109-R122 HydrophobicContact CG-CB 3.46Å; P109-R122 VanDerWaalsContact CG-CB 3.46Å; P109-R122 WeakPolarHBondContact CG-O 3.13Å; Y115-R122 PolarHBondContact O-NH1 2.9Å; Y115-R122 PolarHBondContact OH-NH1 3.3Å; I118-R122 VanDerWaalsContact O-CZ 3.3Å; I118-R122 PolarHBondContact O-NH2 3.38Å; G120-R122 WeakPolarHBondContact O-CG 3.21Å; G120-R122 PolarHBondContact O-N 3.47Å
123K70.4Confident75.5Confident180 Ų18055.6 Ų55.678%0.78330%0.301SS*.SBendtrans-84.4147.2-177.3-63.2-178.1-177.8176.60110.1
124N74.6Confident76.1Confident118 Ų11852.7 Ų52.763%0.63128%0.278SS*.SBendtrans62.841.3175.8-51.9-37.8000113.8Y202N124-Y202 WeakPolarHBondContact O-CB 3.49Å; N124-Y202 PolarHBondContact O-N 2.74Å
125K81.1Confident76.3Confident42 Ų4257.9 Ų57.918%0.18330%0.3CS..EExtended strand (participates in β ladder)trans-122.1146.4179.4-61.5-58.8-169.9144.90110.7Y127 E199 R200 S201K125-Y127 HydrophobicContact CB-CE1 4.42Å; K125-Y127 HydrophobicContact CB-CE2 3.9Å; K125-Y127 WeakPolarHBondContact CB-OH 3.37Å; K125-E199 HydrophobicContact CB-CG 3.98Å; K125-E199 HydrophobicContact CD-CG 3.81Å; K125-E199 VanDerWaalsContact CE-OE1 3.32Å; K125-E199 WeakPolarHBondContact CE-OE1 3.26Å; K125-E199 HydrophobicContact CG-CG 4.02Å; K125-E199 IonicContact NZ-OE1 3.88Å; K125-E199 PolarHBondContact NZ-OE1 3.3Å; K125-R200 CarbonylContact C-O 3.56Å; K125-R200 WeakPolarHBondContact CA-O 3.09Å; K125-S201 PolarHBondContact NZ-OG 3.32Å
126Y83.9Confident76.2Confident56 Ų5656.6 Ų56.622%0.2230%0.302CS..EExtended strand (participates in β ladder)trans-111.9138.8167.7-70-58.4000109.8R107 F128 E199 R200 Y202R107-Y126 HydrophobicContact CB-CD1 4.13Å; R107-Y126 HydrophobicContact CB-CE1 3.97Å; R107-Y126 HydrophobicContact CG-CD1 3.78Å; R107-Y126 HydrophobicContact CG-CE1 3.52Å; Y126-F128 HydrophobicContact CG-CE2 4.31Å; Y126-F128 HydrophobicContact CG-CZ 4.19Å; Y126-E199 WeakPolarHBondContact O-CA 3.42Å; Y126-R200 PolarHBondContact N-O 3.4Å; Y126-R200 PolarHBondContact O-N 2.95Å; Y126-Y202 HydrophobicContact CD2-CD2 4.44Å; Y126-Y202 AromaticContact CE2-CD2 3.45Å; Y126-Y202 HydrophobicContact CE2-CD2 3.45Å; Y126-Y202 VanDerWaalsContact CE2-CD2 3.45Å; Y126-Y202 AromaticContact CE2-CE2 3.99Å; Y126-Y202 HydrophobicContact CE2-CE2 3.99Å; Y126-Y202 AromaticContact CZ-CD2 3.7Å; Y126-Y202 AromaticContact CZ-CE2 3.95Å; Y126-Y202 WeakPolarHBondContact OH-CD2 3.18Å; Y126-Y202 VanDerWaalsContact OH-CE2 3.22Å; Y126-Y202 WeakPolarHBondContact OH-CE2 3.41Å
127Y86.4Confident75.7Confident0 Ų059 Ų590%031%0.311CS..EExtended strand (participates in β ladder)trans-112.5122.8179.4-59.1-75.8000109.5L105 S106 P109 F112 I118 K125 L172 I198 E199L105-Y127 PolarHBondContact N-O 2.97Å; S106-Y127 PolarHBondContact N-O 2.82Å; S106-Y127 PolarHBondContact O-N 3.19Å; P109-Y127 VanDerWaalsContact CA-CE2 3.43Å; P109-Y127 HydrophobicContact CB-CE2 3.68Å; F112-Y127 HydrophobicContact CB-CD2 4.33Å; F112-Y127 HydrophobicContact CB-CG 4.22Å; F112-Y127 HydrophobicContact CD1-CD1 4.13Å; F112-Y127 HydrophobicContact CD1-CG 4.36Å; F112-Y127 HydrophobicContact CD2-CD1 4.38Å; F112-Y127 HydrophobicContact CD2-CG 4.02Å; F112-Y127 HydrophobicContact CE1-CD1 4.24Å; F112-Y127 HydrophobicContact CE2-CG 4.49Å; F112-Y127 HydrophobicContact CG-CD1 4.18Å; F112-Y127 AromaticContact CG-CG 3.95Å; F112-Y127 HydrophobicContact CG-CG 3.95Å; F112-Y127 HydrophobicContact CZ-CD1 4.47Å; I118-Y127 HydrophobicContact CD1-CD1 3.87Å; I118-Y127 HydrophobicContact CD1-CE1 3.21Å; I118-Y127 HydrophobicContact CG1-CE1 4.16Å; K125-Y127 HydrophobicContact CB-CE1 4.42Å; K125-Y127 HydrophobicContact CB-CE2 3.9Å; K125-Y127 WeakPolarHBondContact CB-OH 3.37Å; Y127-L172 HydrophobicContact CD1-CD1 3.84Å; Y127-L172 HydrophobicContact CE1-CD1 4.02Å; Y127-I198 WeakPolarHBondContact CA-O 3.49Å; Y127-E199 HydrophobicContact CD1-CB 4.15Å; Y127-E199 HydrophobicContact CD1-CG 4.31Å; Y127-E199 HydrophobicContact CE1-CB 3.85Å; Y127-E199 HydrophobicContact CE1-CG 3.66Å; Y127-E199 WeakPolarHBondContact CE1-OE2 3.43Å; Y127-E199 PolarHBondContact OH-OE2 2.98Å
128F87.7Confident75.3Confident25 Ų2559.3 Ų59.311%0.1132%0.321CS..EExtended strand (participates in β ladder)trans-121149.5-178.9-57.2-87.3000110.4E103 T104 Y126 H197 I198 R200E103-F128 CarbonylContact O-C 3.32Å; E103-F128 VanDerWaalsContact O-CA 3.29Å; E103-F128 WeakPolarHBondContact O-CA 3.4Å; T104-F128 HydrophobicContact CG2-CD1 4.28Å; T104-F128 HydrophobicContact CG2-CE1 4Å; T104-F128 VanDerWaalsContact OG1-CE1 3.29Å; T104-F128 WeakPolarHBondContact OG1-CE1 3.46Å; Y126-F128 HydrophobicContact CG-CE2 4.31Å; Y126-F128 HydrophobicContact CG-CZ 4.19Å; F128-H197 WeakPolarHBondContact O-CA 3.35Å; F128-I198 HydrophobicContact CB-CB 4.48Å; F128-I198 PolarHBondContact N-O 2.98Å; F128-I198 PolarHBondContact O-N 2.77Å; F128-R200 HydrophobicContact CD2-CB 4.29Å; F128-R200 HydrophobicContact CE2-CB 3.83Å
129Q89.6Confident75.3Confident27 Ų2763 Ų6313%0.12635%0.347CS..EExtended strand (participates in β ladder)trans-113.4127.1165.9-175.4179-75.400108.6C102 E103 L105 K195 I196 H197C102-Q129 WeakPolarHBondContact CA-O 3.35Å; E103-Q129 PolarHBondContact N-O 2.86Å; E103-Q129 PolarHBondContact O-N 2.83Å; L105-Q129 HydrophobicContact CD1-CB 3.64Å; L105-Q129 HydrophobicContact CD2-CB 4.07Å; L105-Q129 HydrophobicContact CG-CB 3.81Å; Q129-K195 HydrophobicContact CG-CG 3.9Å; Q129-I196 CarbonylContact C-O 3.54Å; Q129-I196 WeakPolarHBondContact CA-O 3.22Å; Q129-H197 PolarHBondContact OE1-CE1 3.34Å
130I89.9Confident75.8Confident1 Ų161.6 Ų61.61%0.00534%0.336CS..EExtended strand (participates in β ladder)trans-114.3115.2176.4-56.4164.9000107.3V100 Q101 C102 V132 L161 V164 L165 K195 I196 I198V100-I130 HydrophobicContact CG1-CG2 4.05Å; Q101-I130 CarbonylContact O-C 3.56Å; Q101-I130 WeakPolarHBondContact O-CA 3.39Å; C102-I130 HydrophobicContact CB-CG1 4.46Å; I130-V132 HydrophobicContact CG2-CG2 4.06Å; I130-L161 HydrophobicContact CG2-CD2 3.77Å; I130-V164 HydrophobicContact CD1-CG1 3.58Å; I130-V164 HydrophobicContact CG1-CG1 3.71Å; I130-V164 HydrophobicContact CG2-CG1 4.07Å; I130-L165 HydrophobicContact CD1-CD2 3.34Å; I130-L165 HydrophobicContact CD1-CG 3.91Å; I130-K195 CarbonylContact O-C 3.59Å; I130-K195 WeakPolarHBondContact O-CA 3.06Å; I130-I196 HydrophobicContact CB-CB 4.34Å; I130-I196 PolarHBondContact N-O 2.85Å; I130-I196 PolarHBondContact O-N 3.21Å; I130-I198 HydrophobicContact CD1-CG1 3.75Å
131T89.3Confident76.4Confident42 Ų4262 Ų6226%0.25833%0.331SS..EExtended strand (participates in β ladder)trans-98.5128.2173-54.10000108.5V100 Q101 L194V100-T131 WeakPolarHBondContact CA-O 3.5Å; Q101-T131 PolarHBondContact N-O 3.4Å; Q101-T131 PolarHBondContact O-N 3.48Å; T131-L194 CarbonylContact C-O 3.55Å; T131-L194 WeakPolarHBondContact CA-O 3.17Å
132V87.2Confident77.4Confident0 Ų056.8 Ų56.80%030%0.299CS..EExtended strand (participates in β ladder)trans-121.8116175.1-172.40000108.3F98 E99 V100 I130 L140 L161 L194F98-V132 HydrophobicContact CD1-CG1 4.24Å; E99-V132 WeakPolarHBondContact O-CA 3.33Å; V100-V132 HydrophobicContact CG2-CG1 4.25Å; V100-V132 HydrophobicContact CG2-CG2 4.37Å; I130-V132 HydrophobicContact CG2-CG2 4.06Å; V132-L140 HydrophobicContact CG1-CD1 4.28Å; V132-L161 HydrophobicContact CG2-CD1 4.22Å; V132-L161 HydrophobicContact CG2-CD2 4.03Å; V132-L194 HydrophobicContact CB-CB 4.15Å; V132-L194 PolarHBondContact N-O 3.39Å; V132-L194 PolarHBondContact O-N 3.22Å
133A83Confident78.3Confident43 Ų4356 Ų5636%0.35530%0.298SS..EExtended strand (participates in β ladder)trans-103119.8170.800000109.2E99E99-A133 HydrophobicContact CB-CB 4.39Å; E99-A133 PolarHBondContact N-O 2.89Å; E99-A133 PolarHBondContact O-N 3.43Å
134R78.8Confident79.2Confident29 Ų2949.5 Ų49.511%0.10928%0.279CS..EExtended strand (participates in β ladder)trans-87.4132.5176-58.5-169.8-168.8169.611.5110.4F98 G138 L189 K190 C191 N192F98-R134 HydrophobicContact CD1-CB 4.4Å; F98-R134 HydrophobicContact CD1-CG 3.7Å; F98-R134 HydrophobicContact CE1-CB 4.42Å; F98-R134 HydrophobicContact CE1-CG 3.64Å; R134-G138 PolarHBondContact NH1-O 2.87Å; R134-L189 PolarHBondContact NH2-O 2.85Å; R134-K190 PolarHBondContact NH1-O 3.28Å; R134-C191 PolarHBondContact NE-O 3.45Å; R134-C191 PolarHBondContact NH2-O 3.38Å; R134-N192 VanDerWaalsContact CB-O 3.28Å; R134-N192 WeakPolarHBondContact CB-O 3.1Å; R134-N192 WeakPolarHBondContact CG-O 3.32Å; R134-N192 PolarHBondContact N-O 3.38Å
135K73.8Confident80.1Confident126 Ų12645 Ų4555%0.54826%0.255SS..SBendtrans-92.1-24.4175.9-62.6-176.7178.8177.60112D97 E99D97-K135 PolarHBondContact O-N 2.86Å; E99-K135 IonicContact OE2-NZ 3.57Å
136S67.9Low80.6Confident46 Ų4647.7 Ų47.732%0.32227%0.269SS..SBendtrans-130.3162.4179.362.70000112.9D97 G138D97-S136 VanDerWaalsContact CB-OG 3.25Å; D97-S136 WeakPolarHBondContact CB-OG 3.09Å; D97-S136 WeakPolarHBondContact OD1-CB 3.38Å; D97-S136 PolarHBondContact OD1-OG 3.21Å; S136-G138 PolarHBondContact O-N 2.82Å
137F59.1Low80.9Confident194 Ų19446.9 Ų46.985%0.85128%0.277SS*.SBendtrans-75.2120.8176.9-72.1-85.6000110.4
138G61.9Low80.9Confident40 Ų4053.4 Ų53.441%0.41231%0.306SS..SBendtrans173155.9177.100000111.4R134 S136R134-G138 PolarHBondContact NH1-O 2.87Å; S136-G138 PolarHBondContact O-N 2.82Å
139S66.9Low80.8Confident82 Ų8255.2 Ų55.257%0.57332%0.32SS*.  trans-69.2139.9171-64.50000109.4P141S139-P141 WeakPolarHBondContact O-CD 3.49Å; S139-P141 VanDerWaalsContact O-N 3.1Å
140L73.3Confident80.8Confident19 Ų1954 Ų5410%0.09931%0.314CS..  trans-60.8111.3171-176.471000108.7F98 V132 I143 P160 L161 L194F98-L140 HydrophobicContact CD1-CD1 4.01Å; F98-L140 HydrophobicContact CE1-CD1 3.91Å; V132-L140 HydrophobicContact CG1-CD1 4.28Å; L140-I143 HydrophobicContact CD2-CD1 3.75Å; L140-I143 HydrophobicContact CG-CD1 4.22Å; L140-P160 HydrophobicContact CD1-CG 3.99Å; L140-L161 HydrophobicContact CD1-CD1 3.81Å; L140-L161 HydrophobicContact CD2-CD1 3.52Å; L140-L161 HydrophobicContact CG-CD1 3.98Å; L140-L194 HydrophobicContact CD2-CD1 3.76Å
141P74.4Confident80.9Confident56 Ų5655.2 Ų55.236%0.36432%0.322SS..  trans-77.8149.8-171.830.7-33000111.3S139 S159S139-P141 WeakPolarHBondContact O-CD 3.49Å; S139-P141 VanDerWaalsContact O-N 3.1Å; P141-S159 WeakPolarHBondContact O-CB 3.29Å; P141-S159 PolarHBondContact O-OG 3.02Å
142G79.7Confident81Confident13 Ų1353.2 Ų53.213%0.13431%0.31CS..SBendtrans73.334.4160.500000116.4V155 E156G142-V155 CarbonylContact O-C 3.57Å; G142-V155 VanDerWaalsContact O-CA 3.29Å; G142-V155 WeakPolarHBondContact O-CA 3.44Å; G142-E156 VanDerWaalsContact CA-CG 3.42Å; G142-E156 WeakPolarHBondContact CA-OE2 3.48Å; G142-E156 PolarHBondContact O-N 2.78Å
143I86.3Confident81.2Confident36 Ų3654.1 Ų54.119%0.18532%0.318CS..EExtended strand (participates in β ladder)trans-124.1122166.8-63.3168.3000109.1L140 V145 V155 L161 L165 L189L140-I143 HydrophobicContact CD2-CD1 3.75Å; L140-I143 HydrophobicContact CG-CD1 4.22Å; I143-V145 HydrophobicContact CG2-CG1 4.12Å; I143-V155 HydrophobicContact CG1-CG1 4.4Å; I143-L161 HydrophobicContact CD1-CB 3.93Å; I143-L161 HydrophobicContact CD1-CD1 3.22Å; I143-L161 HydrophobicContact CD1-CG 4.18Å; I143-L165 HydrophobicContact CD1-CD1 3.6Å; I143-L165 HydrophobicContact CG1-CD1 4.36Å; I143-L189 HydrophobicContact CG2-CD1 4.49Å
144A89.3Confident81.4Confident45 Ų4558.3 Ų58.337%0.37233%0.33SS..EExtended strand (participates in β ladder)trans-106.8133.9169.300000109.8A153 E154A144-A153 HydrophobicContact CB-CB 4.32Å; A144-A153 WeakPolarHBondContact O-CB 3.38Å; A144-A153 PolarHBondContact O-N 3.36Å; A144-E154 HydrophobicContact CB-CB 4.2Å; A144-E154 PolarHBondContact N-O 2.69Å; A144-E154 PolarHBondContact O-N 2.87Å
145V92.5Very high81.9Confident23 Ų2358.5 Ų58.514%0.13933%0.334CS..EExtended strand (participates in β ladder)trans-118.5149.2176.7-63.10000110.2I143 V150 C151 I171 T182 A186 L189I143-V145 HydrophobicContact CG2-CG1 4.12Å; V145-V150 HydrophobicContact CB-CG1 3.82Å; V145-V150 HydrophobicContact CG1-CG1 4.39Å; V145-V150 HydrophobicContact CG2-CG1 4.26Å; V145-C151 CarbonylContact C-O 3.51Å; V145-C151 WeakPolarHBondContact CA-O 3.45Å; V145-I171 HydrophobicContact CG1-CD1 3.57Å; V145-T182 HydrophobicContact CG2-CG2 4.03Å; V145-T182 WeakPolarHBondContact O-CG2 3.14Å; V145-A186 HydrophobicContact CG2-CB 4.05Å; V145-L189 HydrophobicContact CG1-CD1 3.86Å
146H92.5Very high82.5Confident99 Ų9957.5 Ų57.546%0.45833%0.331SS..EExtended strand (participates in β ladder)trans-146.3161.2179.770.414.8000113C151 A153H146-C151 PolarHBondContact N-O 2.99Å; H146-C151 PolarHBondContact ND1-O 3.24Å; H146-C151 PolarHBondContact O-N 2.94Å; H146-A153 HydrophobicContact CB-CB 4.16Å; H146-A153 WeakPolarHBondContact CD2-CB 3.39Å
147G89Confident83.2Confident38 Ų3859.6 Ų59.639%0.39235%0.352SS..THydrogen-bonded Turntrans75.1174.6165.600000115.4P149 V150 T182G147-P149 CarbonylContact C-O 3.59Å; G147-P149 CarbonylContact O-C 3.54Å; G147-V150 WeakPolarHBondContact O-CA 3.28Å; G147-V150 PolarHBondContact O-N 2.9Å; G147-T182 PolarHBondContact N-OG1 2.95Å; G147-T182 PolarHBondContact O-OG1 2.74Å
148F85.9Confident84.2Confident138 Ų13857.8 Ų57.861%0.60535%0.351SS*.THydrogen-bonded Turntrans-136.1108.4170.4-164.6-101.6000108.7V150 K180F148-V150 HydrophobicContact CD2-CG2 4.4Å; F148-K180 WeakPolarHBondContact CE2-O 3.36Å
149P85.7Confident85.2Confident63 Ų6356.1 Ų56.141%0.40933%0.333SS..THydrogen-bonded Turncis-66.3150.910.329.9-36.5000113.8G147 C151 R170G147-P149 CarbonylContact C-O 3.59Å; G147-P149 CarbonylContact O-C 3.54Å; P149-C151 PolarHBondContact O-N 3.34Å; P149-R170 HydrophobicContact CB-CG 4.3Å; P149-R170 VanDerWaalsContact CB-NH2 3.35Å
150V91.2Very high85.7Confident1 Ų153.1 Ų53.11%0.00631%0.312CS..THydrogen-bonded Turntrans-71.4124.2-177.2-174.90000109.9V145 G147 F148 I171 P179 C185V145-V150 HydrophobicContact CB-CG1 3.82Å; V145-V150 HydrophobicContact CG1-CG1 4.39Å; V145-V150 HydrophobicContact CG2-CG1 4.26Å; G147-V150 WeakPolarHBondContact O-CA 3.28Å; G147-V150 PolarHBondContact O-N 2.9Å; F148-V150 HydrophobicContact CD2-CG2 4.4Å; V150-I171 HydrophobicContact CB-CB 4.48Å; V150-I171 HydrophobicContact CG1-CB 4.44Å; V150-I171 HydrophobicContact CG1-CD1 4.23Å; V150-I171 PolarHBondContact O-N 2.92Å; V150-P179 HydrophobicContact CB-CG 4.19Å; V150-P179 HydrophobicContact CG2-CB 3.92Å; V150-P179 HydrophobicContact CG2-CG 3.83Å; V150-C185 HydrophobicContact CG1-CB 4.01Å; V150-C185 HydrophobicContact CG2-CB 4.24Å
151C91.4Very high86.2Confident26 Ų2652.2 Ų52.218%0.17631%0.307CS..EExtended strand (participates in β ladder)trans-125.4151.4177.9-650000110.9V145 H146 P149 A153 D169V145-C151 CarbonylContact C-O 3.51Å; V145-C151 WeakPolarHBondContact CA-O 3.45Å; H146-C151 PolarHBondContact N-O 2.99Å; H146-C151 PolarHBondContact ND1-O 3.24Å; H146-C151 PolarHBondContact O-N 2.94Å; P149-C151 PolarHBondContact O-N 3.34Å; C151-A153 PolarHBondContact O-N 3.34Å; C151-D169 CarbonylContact C-O 3.51Å; C151-D169 VanDerWaalsContact CA-O 3.29Å; C151-D169 WeakPolarHBondContact CA-O 3.36Å
152V91.8Very high86.7Confident0 Ų051.1 Ų51.10%030%0.303CS..EExtended strand (participates in β ladder)trans-70.1115.2172.1179.60000108.7V155 L165 G168 D169 I171V152-V155 HydrophobicContact CG1-CG2 3.44Å; V152-V155 VanDerWaalsContact CG1-CG2 3.44Å; V152-L165 HydrophobicContact CG2-CD2 4.41Å; V152-G168 PolarHBondContact O-N 2.85Å; V152-D169 HydrophobicContact CB-CB 4.34Å; V152-D169 HydrophobicContact CG2-CB 4.03Å; V152-D169 PolarHBondContact N-O 2.83Å; V152-I171 HydrophobicContact CG2-CD1 4.29Å; V152-I171 HydrophobicContact CG2-CG1 4.26Å
153A90.4Very high86.7Confident20 Ų2054.7 Ų54.717%0.16532%0.318CS..EExtended strand (participates in β ladder)trans-83.9-44.7-179.300000111.3A144 H146 C151 K167A144-A153 HydrophobicContact CB-CB 4.32Å; A144-A153 WeakPolarHBondContact O-CB 3.38Å; A144-A153 PolarHBondContact O-N 3.36Å; H146-A153 HydrophobicContact CB-CB 4.16Å; H146-A153 WeakPolarHBondContact CD2-CB 3.39Å; C151-A153 PolarHBondContact O-N 3.34Å; A153-K167 WeakPolarHBondContact O-CD 3.22Å; A153-K167 WeakPolarHBondContact O-CE 3.46Å; A153-K167 WeakPolarHBondContact O-CG 3.29Å
154E88.3Confident86.7Confident131 Ų13153.6 Ų53.661%0.61231%0.313SS*.EExtended strand (participates in β ladder)trans-153145.3-176.3-172.3170.1-172.300110.4A144A144-E154 HydrophobicContact CB-CB 4.2Å; A144-E154 PolarHBondContact N-O 2.69Å; A144-E154 PolarHBondContact O-N 2.87Å
155V88.7Confident86.7Confident32 Ų3251.8 Ų51.819%0.19430%0.297CS..EExtended strand (participates in β ladder)trans-128.3119.4171.4-171.20000107.3G142 I143 V152 A162 L165G142-V155 CarbonylContact O-C 3.57Å; G142-V155 VanDerWaalsContact O-CA 3.29Å; G142-V155 WeakPolarHBondContact O-CA 3.44Å; I143-V155 HydrophobicContact CG1-CG1 4.4Å; V152-V155 HydrophobicContact CG1-CG2 3.44Å; V152-V155 VanDerWaalsContact CG1-CG2 3.44Å; V155-A162 HydrophobicContact CG1-CB 4.31Å; V155-L165 HydrophobicContact CG2-CB 4.02Å
156E87.1Confident86.5Confident105 Ų10557.4 Ų57.449%0.49132%0.316SS..  trans-65.7140.6176.8-66.7176.6-173.600110.1G142 N158 S159G142-E156 VanDerWaalsContact CA-CG 3.42Å; G142-E156 WeakPolarHBondContact CA-OE2 3.48Å; G142-E156 PolarHBondContact O-N 2.78Å; E156-N158 PolarHBondContact O-N 3.45Å; E156-N158 VanDerWaalsContact O-N 3.12Å; E156-S159 WeakPolarHBondContact O-CB 3.38Å; E156-S159 PolarHBondContact O-N 2.81Å
157A82Confident86.3Confident90 Ų9060.8 Ų60.874%0.74433%0.329SS*.THydrogen-bonded Turntrans-59.9-27.6-177.300000113.9S159A157-S159 VanDerWaalsContact C-N 3.33Å
158N80.2Confident86.3Confident157 Ų15761.3 Ų61.384%0.8434%0.335SS*.THydrogen-bonded Turntrans-88.3-1.3178.9-61.9-26.2000112.9E156E156-N158 PolarHBondContact O-N 3.45Å; E156-N158 VanDerWaalsContact O-N 3.12Å
159S82.6Confident86.5Confident5 Ų555 Ų554%0.03531%0.307CS..SBendtrans-67.8141.2177.3-174.40000110.2P141 E156 A157 L161 A162P141-S159 WeakPolarHBondContact O-CB 3.29Å; P141-S159 PolarHBondContact O-OG 3.02Å; E156-S159 WeakPolarHBondContact O-CB 3.38Å; E156-S159 PolarHBondContact O-N 2.81Å; A157-S159 VanDerWaalsContact C-N 3.33Å; S159-L161 PolarHBondContact O-N 2.81Å; S159-L161 PolarHBondContact OG-N 3.43Å; S159-A162 WeakPolarHBondContact O-CB 3.37Å; S159-A162 PolarHBondContact O-N 2.94Å; S159-A162 VanDerWaalsContact O-N 3.08Å
160P78.2Confident86.7Confident19 Ų1954.1 Ų54.112%0.12330%0.296CS..THydrogen-bonded Turntrans-59.7-14.7172.126.2-35.6000112.9F98 V100 L140F98-P160 HydrophobicContact CB-CB 4.17Å; F98-P160 HydrophobicContact CB-CG 4.29Å; F98-P160 HydrophobicContact CD2-CG 4.1Å; F98-P160 HydrophobicContact CG-CB 4.45Å; F98-P160 HydrophobicContact CG-CG 4.06Å; V100-P160 HydrophobicContact CG2-CB 4.14Å; L140-P160 HydrophobicContact CD1-CG 3.99Å
161L83.8Confident86.6Confident0 Ų054.4 Ų54.40%030%0.298CS..THydrogen-bonded Turntrans-102.22.5-179.1-71.5162.8000114V100 I130 V132 L140 I143 S159 D163 V164 L165V100-L161 HydrophobicContact CG1-CD2 3.6Å; V100-L161 HydrophobicContact CG2-CD2 4.17Å; V100-L161 HydrophobicContact CG2-CG 4.46Å; I130-L161 HydrophobicContact CG2-CD2 3.77Å; V132-L161 HydrophobicContact CG2-CD1 4.22Å; V132-L161 HydrophobicContact CG2-CD2 4.03Å; L140-L161 HydrophobicContact CD1-CD1 3.81Å; L140-L161 HydrophobicContact CD2-CD1 3.52Å; L140-L161 HydrophobicContact CG-CD1 3.98Å; I143-L161 HydrophobicContact CD1-CB 3.93Å; I143-L161 HydrophobicContact CD1-CD1 3.22Å; I143-L161 HydrophobicContact CD1-CG 4.18Å; S159-L161 PolarHBondContact O-N 2.81Å; S159-L161 PolarHBondContact OG-N 3.43Å; L161-D163 VanDerWaalsContact C-N 3.25Å; L161-D163 PolarHBondContact O-N 3.42Å; L161-V164 HydrophobicContact CD2-CB 4.25Å; L161-V164 PolarHBondContact O-N 3.11Å; L161-L165 HydrophobicContact CB-CD1 4.05Å; L161-L165 HydrophobicContact CB-CG 4.35Å; L161-L165 HydrophobicContact CD1-CD1 4.14Å; L161-L165 HydrophobicContact CD2-CD1 4.48Å; L161-L165 HydrophobicContact CG-CD1 4.46Å; L161-L165 PolarHBondContact O-N 3.23Å
162A83.3Confident86.5Confident33 Ų3353.4 Ų53.427%0.27329%0.29SS..THydrogen-bonded Turntrans-57.2-35.2-17900000113.7V155 S159V155-A162 HydrophobicContact CG1-CB 4.31Å; S159-A162 WeakPolarHBondContact O-CB 3.37Å; S159-A162 PolarHBondContact O-N 2.94Å; S159-A162 VanDerWaalsContact O-N 3.08Å
163D81.3Confident86.4Confident87 Ų8753.4 Ų53.447%0.46529%0.29SS..THydrogen-bonded Turntrans-83.8-13.2179.1-62.4-38.1000112.9K93 L161K93-D163 IonicContact NZ-OD2 2.71Å; K93-D163 PolarHBondContact NZ-OD2 2.99Å; L161-D163 VanDerWaalsContact C-N 3.25Å; L161-D163 PolarHBondContact O-N 3.42Å
164V86.3Confident86.3Confident13 Ų1352.5 Ų52.58%0.07928%0.283CS..THydrogen-bonded Turntrans-107.9-50.8-169.6-1760000111.5V100 C102 I130 L161 R200V100-V164 HydrophobicContact CG1-CG2 3.94Å; C102-V164 HydrophobicContact CB-CG1 3.62Å; I130-V164 HydrophobicContact CD1-CG1 3.58Å; I130-V164 HydrophobicContact CG1-CG1 3.71Å; I130-V164 HydrophobicContact CG2-CG1 4.07Å; L161-V164 HydrophobicContact CD2-CB 4.25Å; L161-V164 PolarHBondContact O-N 3.11Å; V164-R200 PolarHBondContact O-NH2 2.9Å
165L88.7Confident86.4Confident7 Ų749.1 Ų49.14%0.03727%0.269CS..  trans-89.6141.9177.4-72175.8000110.4I130 I143 V152 V155 L161 I198I130-L165 HydrophobicContact CD1-CD2 3.34Å; I130-L165 HydrophobicContact CD1-CG 3.91Å; I143-L165 HydrophobicContact CD1-CD1 3.6Å; I143-L165 HydrophobicContact CG1-CD1 4.36Å; V152-L165 HydrophobicContact CG2-CD2 4.41Å; V155-L165 HydrophobicContact CG2-CB 4.02Å; L161-L165 HydrophobicContact CB-CD1 4.05Å; L161-L165 HydrophobicContact CB-CG 4.35Å; L161-L165 HydrophobicContact CD1-CD1 4.14Å; L161-L165 HydrophobicContact CD2-CD1 4.48Å; L161-L165 HydrophobicContact CG-CD1 4.46Å; L161-L165 PolarHBondContact O-N 3.23Å; L165-I198 HydrophobicContact CD2-CD1 3.81Å; L165-I198 HydrophobicContact CD2-CG1 3.79Å
166R87.9Confident86.2Confident142 Ų14251.3 Ų51.354%0.53628%0.279SS..  trans-119.6151.2175.4-62.9-178.5-174.5-175.70.4109.8G168 D169R166-G168 PolarHBondContact O-N 3.39Å; R166-D169 PolarHBondContact N-OD2 3.49Å; R166-D169 VanDerWaalsContact O-CB 3.22Å; R166-D169 WeakPolarHBondContact O-CB 3.48Å; R166-D169 VanDerWaalsContact O-CG 3.26Å; R166-D169 PolarHBondContact O-N 3.32Å; R166-D169 VanDerWaalsContact O-N 3.11Å
167K88.9Confident86.2Confident169 Ų16953 Ų5374%0.73529%0.285SS*.THydrogen-bonded Turntrans-55.2134.7168.7178.8171.2-176.4174.70110A153 D169A153-K167 WeakPolarHBondContact O-CD 3.22Å; A153-K167 WeakPolarHBondContact O-CE 3.46Å; A153-K167 WeakPolarHBondContact O-CG 3.29Å; K167-D169 VanDerWaalsContact C-N 3.3Å
168G87.9Confident86.5Confident50 Ų5051.8 Ų51.852%0.51527%0.27SS..THydrogen-bonded Turntrans84.8-4.2-178.500000114.9V152 R166 R170V152-G168 PolarHBondContact O-N 2.85Å; R166-G168 PolarHBondContact O-N 3.39Å; G168-R170 PolarHBondContact O-N 3.41Å
169D90.3Very high86.9Confident4 Ų445 Ų452%0.02123%0.234CC..  trans-59.6132.5169.1-79.8-13000110.1C151 V152 R166 K167 I198 R200C151-D169 CarbonylContact C-O 3.51Å; C151-D169 VanDerWaalsContact CA-O 3.29Å; C151-D169 WeakPolarHBondContact CA-O 3.36Å; V152-D169 HydrophobicContact CB-CB 4.34Å; V152-D169 HydrophobicContact CG2-CB 4.03Å; V152-D169 PolarHBondContact N-O 2.83Å; R166-D169 PolarHBondContact N-OD2 3.49Å; R166-D169 VanDerWaalsContact O-CB 3.22Å; R166-D169 WeakPolarHBondContact O-CB 3.48Å; R166-D169 VanDerWaalsContact O-CG 3.26Å; R166-D169 PolarHBondContact O-N 3.32Å; R166-D169 VanDerWaalsContact O-N 3.11Å; K167-D169 VanDerWaalsContact C-N 3.3Å; D169-I198 HydrophobicContact CB-CG2 3.64Å; D169-R200 WeakPolarHBondContact OD1-CG 3.26Å; D169-R200 IonicContact OD1-CZ 3.5Å; D169-R200 IonicContact OD1-NE 3.21Å; D169-R200 PolarHBondContact OD1-NE 3.04Å; D169-R200 IonicContact OD1-NH2 3.63Å; D169-R200 IonicContact OD2-CZ 3.49Å; D169-R200 IonicContact OD2-NE 3.97Å; D169-R200 PolarHBondContact OD2-NE 3.26Å; D169-R200 IonicContact OD2-NH2 3.64Å; D169-R200 PolarHBondContact OD2-NH2 2.94Å
170R89.7Confident87.2Confident46 Ų4651.9 Ų51.917%0.17426%0.263CS..EExtended strand (participates in β ladder)trans-93.6126-179.6-178.3-176.4179.6-177.36.1109.7P149 G168 L172 I198 E199P149-R170 HydrophobicContact CB-CG 4.3Å; P149-R170 VanDerWaalsContact CB-NH2 3.35Å; G168-R170 PolarHBondContact O-N 3.41Å; R170-L172 HydrophobicContact CG-CD2 4.36Å; R170-L172 PolarHBondContact O-N 2.96Å; R170-I198 WeakPolarHBondContact O-CA 3.32Å; R170-E199 HydrophobicContact CB-CB 4.25Å; R170-E199 PolarHBondContact N-O 3.24Å; R170-E199 PolarHBondContact O-N 3.45Å
171I90.9Very high87.8Confident7 Ų752.8 Ų52.84%0.03627%0.27CS..EExtended strand (participates in β ladder)trans-83.9115.2175.9-56179.5000108.4V145 V150 V152 V174 L189 I196 I198V145-I171 HydrophobicContact CG1-CD1 3.57Å; V150-I171 HydrophobicContact CB-CB 4.48Å; V150-I171 HydrophobicContact CG1-CB 4.44Å; V150-I171 HydrophobicContact CG1-CD1 4.23Å; V150-I171 PolarHBondContact O-N 2.92Å; V152-I171 HydrophobicContact CG2-CD1 4.29Å; V152-I171 HydrophobicContact CG2-CG1 4.26Å; I171-V174 HydrophobicContact CG2-CG2 3.85Å; I171-L189 HydrophobicContact CD1-CD1 4.42Å; I171-I196 HydrophobicContact CG2-CG2 4.18Å; I171-I198 HydrophobicContact CB-CD1 4.33Å; I171-I198 HydrophobicContact CG1-CD1 3.73Å
172L88.7Confident88.1Confident5 Ų554.2 Ų54.23%0.02628%0.279CS..EExtended strand (participates in β ladder)trans-87.2-40.9178.1-61.2-179.3000111.6F112 I118 Y127 R170 P179 H197 E199F112-L172 HydrophobicContact CD1-CD1 4.5Å; F112-L172 HydrophobicContact CE1-CD1 3.53Å; F112-L172 HydrophobicContact CZ-CD1 3.76Å; I118-L172 HydrophobicContact CD1-CD1 4.04Å; I118-L172 HydrophobicContact CG1-CD1 3.75Å; I118-L172 HydrophobicContact CG1-CD2 4.11Å; Y127-L172 HydrophobicContact CD1-CD1 3.84Å; Y127-L172 HydrophobicContact CE1-CD1 4.02Å; R170-L172 HydrophobicContact CG-CD2 4.36Å; R170-L172 PolarHBondContact O-N 2.96Å; L172-P179 WeakPolarHBondContact O-CD 3.37Å; L172-H197 HydrophobicContact CB-CB 4.22Å; L172-H197 PolarHBondContact N-O 3.21Å; L172-E199 HydrophobicContact CD1-CB 3.99Å; L172-E199 HydrophobicContact CD2-CB 4.04Å; L172-E199 HydrophobicContact CG-CB 4.03Å
173A89.1Confident88.4Confident0 Ų058.8 Ų58.80%030%0.295CS..EExtended strand (participates in β ladder)trans-158.9151.5179.400000111.4L114 K177 H197L114-A173 HydrophobicContact CD1-CB 3.55Å; A173-K177 CarbonylContact C-O 3.55Å; A173-K177 VanDerWaalsContact CA-O 3.24Å; A173-K177 WeakPolarHBondContact CA-O 3.44Å; A173-K177 WeakPolarHBondContact CB-O 3.38Å; A173-H197 HydrophobicContact CB-CB 4.27Å; A173-H197 PolarHBondContact O-N 3.44Å
174V89.5Confident88.8Confident1 Ų157.6 Ų57.61%0.00629%0.286CS..EExtended strand (participates in β ladder)trans-121.7127.2167.8-176.40000107.6I171 D176 K177 Q188 L189 L194 K195 I196I171-V174 HydrophobicContact CG2-CG2 3.85Å; V174-D176 PolarHBondContact O-N 2.93Å; V174-K177 PolarHBondContact N-O 2.96Å; V174-K177 PolarHBondContact O-N 3.37Å; V174-Q188 HydrophobicContact CB-CB 4.16Å; V174-Q188 HydrophobicContact CG1-CB 4.01Å; V174-L189 HydrophobicContact CG1-CD2 4.36Å; V174-L189 HydrophobicContact CG2-CD2 4.12Å; V174-L194 HydrophobicContact CG1-CD2 4.07Å; V174-K195 CarbonylContact C-O 3.53Å; V174-K195 WeakPolarHBondContact CA-O 3.21Å; V174-I196 HydrophobicContact CG1-CG1 4.49Å; V174-I196 HydrophobicContact CG2-CG2 4.48Å
175N89.3Confident89Confident60 Ų6057 Ų5732%0.32128%0.283SS..THydrogen-bonded Turntrans51.346.2-172.7-66.9-23000112.2K177 S193 L194 K195N175-K177 PolarHBondContact O-N 2.92Å; N175-S193 PolarHBondContact ND2-O 3.15Å; N175-S193 PolarHBondContact OD1-O 3.5Å; N175-L194 WeakPolarHBondContact OD1-CA 3.29Å; N175-K195 PolarHBondContact N-O 3.48Å; N175-K195 PolarHBondContact OD1-N 3.48Å
176D85.3Confident88.9Confident77 Ų7758.3 Ų58.341%0.41230%0.295SS..THydrogen-bonded Turntrans59.312.5-178-55.6-46.3000114.5V174 K195 H197V174-D176 PolarHBondContact O-N 2.93Å; D176-K195 VanDerWaalsContact CG-NZ 3.33Å; D176-K195 WeakPolarHBondContact OD1-CE 3.47Å; D176-K195 IonicContact OD1-NZ 2.9Å; D176-K195 PolarHBondContact OD1-NZ 2.93Å; D176-K195 IonicContact OD2-NZ 2.91Å; D176-K195 PolarHBondContact OD2-NZ 2.89Å; D176-H197 IonicContact OD1-CD2 2.86Å; D176-H197 IonicContact OD1-CE1 2.74Å; D176-H197 IonicContact OD1-NE2 2.96Å; D176-H197 PolarHBondContact OD1-NE2 3.49Å
177K87.3Confident88.9Confident141 Ų14155.9 Ų55.961%0.61329%0.292SS*.BIsolated β-bridgetrans-106.3125.4174.5-66179.7-177.9179.10110.5A173 V174 N175A173-K177 CarbonylContact C-O 3.55Å; A173-K177 VanDerWaalsContact CA-O 3.24Å; A173-K177 WeakPolarHBondContact CA-O 3.44Å; A173-K177 WeakPolarHBondContact CB-O 3.38Å; V174-K177 PolarHBondContact N-O 2.96Å; V174-K177 PolarHBondContact O-N 3.37Å; N175-K177 PolarHBondContact O-N 2.92Å
178P87.3Confident88.8Confident65 Ų6549.2 Ų49.242%0.42226%0.264SS..  trans-66.9137.7174.426.3-31.7000110.4V117V117-P178 HydrophobicContact CG1-CB 3.77Å; V117-P178 HydrophobicContact CG1-CG 4.46Å
179P88.7Confident88.7Confident13 Ų1347.5 Ų47.58%0.08424%0.243CC..  trans-69132.8175.528.7-32.9000110.1V150 L172 C185V150-P179 HydrophobicContact CB-CG 4.19Å; V150-P179 HydrophobicContact CG2-CB 3.92Å; V150-P179 HydrophobicContact CG2-CG 3.83Å; L172-P179 WeakPolarHBondContact O-CD 3.37Å; P179-C185 HydrophobicContact CB-CB 3.67Å
180K88.3Confident88.3Confident150 Ų15052.7 Ų52.765%0.65227%0.265SS*.SBendtrans-90.1-24.7174.2-48.7169.5-178.8173.50112.2F148 E184F148-K180 WeakPolarHBondContact CE2-O 3.36Å; K180-E184 WeakPolarHBondContact CA-OE2 3.5Å; K180-E184 WeakPolarHBondContact CB-OE2 3.47Å; K180-E184 WeakPolarHBondContact CD-OE2 3.29Å; K180-E184 WeakPolarHBondContact CG-OE2 3.41Å; K180-E184 PolarHBondContact N-OE2 3.21Å
181S90.9Very high87.8Confident38 Ų3853.2 Ų53.227%0.26628%0.275SS..SBendtrans-145.7167.8172.988.20000111.6E183 E184 C185S181-E183 VanDerWaalsContact C-N 3.33Å; S181-E183 VanDerWaalsContact CB-OE2 3.29Å; S181-E183 WeakPolarHBondContact CB-OE2 3.3Å; S181-E183 PolarHBondContact OG-N 3Å; S181-E183 PolarHBondContact OG-OE2 3.33Å; S181-E184 PolarHBondContact OG-N 2.99Å; S181-E184 VanDerWaalsContact OG-N 3.12Å; S181-C185 WeakPolarHBondContact O-CB 3.18Å; S181-C185 PolarHBondContact O-N 2.97Å
182T90Very high87Confident31 Ų3157.2 Ų57.219%0.1930%0.297CS..Hα-helixtrans-59.9-44.3173.9-50.60000111.2V145 G147 C185 A186V145-T182 HydrophobicContact CG2-CG2 4.03Å; V145-T182 WeakPolarHBondContact O-CG2 3.14Å; G147-T182 PolarHBondContact N-OG1 2.95Å; G147-T182 PolarHBondContact O-OG1 2.74Å; T182-C185 WeakPolarHBondContact O-CB 3.48Å; T182-C185 PolarHBondContact O-N 2.74Å; T182-A186 WeakPolarHBondContact O-CB 3.32Å; T182-A186 PolarHBondContact O-N 2.87Å
183E89.8Confident86.7Confident128 Ų12860.5 Ų60.560%0.59832%0.32SS*.Hα-helixtrans-67.6-41.5-178.2-55.174.4-158.800111.1S181 C185 A186 N187S181-E183 VanDerWaalsContact C-N 3.33Å; S181-E183 VanDerWaalsContact CB-OE2 3.29Å; S181-E183 WeakPolarHBondContact CB-OE2 3.3Å; S181-E183 PolarHBondContact OG-N 3Å; S181-E183 PolarHBondContact OG-OE2 3.33Å; E183-C185 VanDerWaalsContact C-N 3.34Å; E183-A186 PolarHBondContact O-N 2.97Å; E183-N187 WeakPolarHBondContact O-CB 3.35Å; E183-N187 VanDerWaalsContact O-CG 3.3Å; E183-N187 PolarHBondContact O-N 2.98Å; E183-N187 PolarHBondContact O-ND2 2.87Å
184E89.6Confident86.7Confident62 Ų6260.5 Ų60.529%0.2932%0.32SS..Hα-helixtrans-61.5-45.1174.6-169.8-171.4-178.400110.6K180 S181 A186 N187 Q188K180-E184 WeakPolarHBondContact CA-OE2 3.5Å; K180-E184 WeakPolarHBondContact CB-OE2 3.47Å; K180-E184 WeakPolarHBondContact CD-OE2 3.29Å; K180-E184 WeakPolarHBondContact CG-OE2 3.41Å; K180-E184 PolarHBondContact N-OE2 3.21Å; S181-E184 PolarHBondContact OG-N 2.99Å; S181-E184 VanDerWaalsContact OG-N 3.12Å; E184-A186 PolarHBondContact O-N 3.14Å; E184-N187 PolarHBondContact O-N 2.66Å; E184-Q188 WeakPolarHBondContact O-CG 3.38Å; E184-Q188 PolarHBondContact O-N 3.17Å; E184-Q188 PolarHBondContact OE1-NE2 3.34Å
185C90.2Very high86.7Confident0 Ų063.3 Ų63.30%033%0.332CS..Hα-helixtrans-59.4-47.1176.1-168.80000111.4V150 P179 S181 T182 E183 N187 Q188 L189V150-C185 HydrophobicContact CG1-CB 4.01Å; V150-C185 HydrophobicContact CG2-CB 4.24Å; P179-C185 HydrophobicContact CB-CB 3.67Å; S181-C185 WeakPolarHBondContact O-CB 3.18Å; S181-C185 PolarHBondContact O-N 2.97Å; T182-C185 WeakPolarHBondContact O-CB 3.48Å; T182-C185 PolarHBondContact O-N 2.74Å; E183-C185 VanDerWaalsContact C-N 3.34Å; C185-N187 PolarHBondContact O-N 2.83Å; C185-Q188 PolarHBondContact O-N 2.86Å; C185-L189 WeakPolarHBondContact O-CG 2.93Å; C185-L189 PolarHBondContact O-N 2.76Å
186A88.1Confident86.8Confident35 Ų3560.5 Ų60.529%0.28932%0.317SS..Hα-helixtrans-60.8-34.9178.200000112.1V145 T182 E183 E184V145-A186 HydrophobicContact CG2-CB 4.05Å; T182-A186 WeakPolarHBondContact O-CB 3.32Å; T182-A186 PolarHBondContact O-N 2.87Å; E183-A186 PolarHBondContact O-N 2.97Å; E184-A186 PolarHBondContact O-N 3.14Å
187N86.5Confident87Confident91 Ų9156.9 Ų56.949%0.48730%0.298SS..Hα-helixtrans-73.1-39.5174.8-71.6-31.2000112.6E183 E184 C185 L189 K190E183-N187 WeakPolarHBondContact O-CB 3.35Å; E183-N187 VanDerWaalsContact O-CG 3.3Å; E183-N187 PolarHBondContact O-N 2.98Å; E183-N187 PolarHBondContact O-ND2 2.87Å; E184-N187 PolarHBondContact O-N 2.66Å; C185-N187 PolarHBondContact O-N 2.83Å; N187-L189 VanDerWaalsContact C-N 3.28Å; N187-L189 PolarHBondContact O-N 3.49Å; N187-K190 WeakPolarHBondContact O-CB 3.36Å; N187-K190 PolarHBondContact O-N 3.5Å; N187-K190 PolarHBondContact OD1-NZ 3.36Å
188Q87.4Confident87.1Confident29 Ų2950.2 Ų50.214%0.13627%0.269CS..Hα-helixtrans-62.9-36.2174.9-71.2174.64.400111.7V174 E184 C185 K190 C191 L194V174-Q188 HydrophobicContact CB-CB 4.16Å; V174-Q188 HydrophobicContact CG1-CB 4.01Å; E184-Q188 WeakPolarHBondContact O-CG 3.38Å; E184-Q188 PolarHBondContact O-N 3.17Å; E184-Q188 PolarHBondContact OE1-NE2 3.34Å; C185-Q188 PolarHBondContact O-N 2.86Å; Q188-K190 PolarHBondContact O-N 2.9Å; Q188-K190 VanDerWaalsContact O-N 3.08Å; Q188-C191 WeakPolarHBondContact O-CB 3.39Å; Q188-C191 PolarHBondContact O-N 3.05Å; Q188-C191 VanDerWaalsContact O-N 3.14Å; Q188-C191 PolarHBondContact O-SG 2.97Å; Q188-C191 VanDerWaalsContact O-SG 3.37Å; Q188-L194 WeakPolarHBondContact O-CD2 3.35Å
189L85.3Confident87.1Confident14 Ų1447.4 Ų47.47%0.07325%0.25CS..THydrogen-bonded Turntrans-65.8-5.6174.3-69.5174.5000113.7R134 I143 V145 I171 V174 C185 N187 L194 I196R134-L189 PolarHBondContact NH2-O 2.85Å; I143-L189 HydrophobicContact CG2-CD1 4.49Å; V145-L189 HydrophobicContact CG1-CD1 3.86Å; I171-L189 HydrophobicContact CD1-CD1 4.42Å; V174-L189 HydrophobicContact CG1-CD2 4.36Å; V174-L189 HydrophobicContact CG2-CD2 4.12Å; C185-L189 WeakPolarHBondContact O-CG 2.93Å; C185-L189 PolarHBondContact O-N 2.76Å; N187-L189 VanDerWaalsContact C-N 3.28Å; N187-L189 PolarHBondContact O-N 3.49Å; L189-L194 HydrophobicContact CD2-CD1 4.32Å; L189-I196 HydrophobicContact CD2-CD1 3.57Å; L189-I196 HydrophobicContact CD2-CG1 4.08Å
190K82Confident87.1Confident113 Ų11348.5 Ų48.549%0.49125%0.253SS..THydrogen-bonded Turntrans-88.2-8173.7-63.1170.3-172.7165.70113.2R134 N187 Q188R134-K190 PolarHBondContact NH1-O 3.28Å; N187-K190 WeakPolarHBondContact O-CB 3.36Å; N187-K190 PolarHBondContact O-N 3.5Å; N187-K190 PolarHBondContact OD1-NZ 3.36Å; Q188-K190 PolarHBondContact O-N 2.9Å; Q188-K190 VanDerWaalsContact O-N 3.08Å
191C79.4Confident86.7Confident58 Ų5844.6 Ų44.639%0.39225%0.245SC..SBendtrans-68.3151.9-178.3-63.80000114.2R134 Q188 S193 L194R134-C191 PolarHBondContact NE-O 3.45Å; R134-C191 PolarHBondContact NH2-O 3.38Å; Q188-C191 WeakPolarHBondContact O-CB 3.39Å; Q188-C191 PolarHBondContact O-N 3.05Å; Q188-C191 VanDerWaalsContact O-N 3.14Å; Q188-C191 PolarHBondContact O-SG 2.97Å; Q188-C191 VanDerWaalsContact O-SG 3.37Å; C191-S193 PolarHBondContact O-N 3.23Å; C191-L194 HydrophobicContact CB-CD2 3.78Å
192N74.6Confident85.8Confident90 Ų9047.3 Ų47.348%0.48125%0.249SC..SBendtrans-67.3-29.5-174.5-66.8-11.7000114.8R134R134-N192 VanDerWaalsContact CB-O 3.28Å; R134-N192 WeakPolarHBondContact CB-O 3.1Å; R134-N192 WeakPolarHBondContact CG-O 3.32Å; R134-N192 PolarHBondContact N-O 3.38Å
193S82.7Confident84.4Confident75 Ų7552.6 Ų52.652%0.52427%0.272SS..EExtended strand (participates in β ladder)trans-124.9127.9171.8-177.80000107.9N175 C191N175-S193 PolarHBondContact ND2-O 3.15Å; N175-S193 PolarHBondContact OD1-O 3.5Å; C191-S193 PolarHBondContact O-N 3.23Å
194L88.5Confident82.6Confident0 Ų054.8 Ų54.80%028%0.28CS..EExtended strand (participates in β ladder)trans-123.8137.8-178.8-56.7174.1000110T131 V132 L140 V174 N175 Q188 L189 C191 I196T131-L194 CarbonylContact C-O 3.55Å; T131-L194 WeakPolarHBondContact CA-O 3.17Å; V132-L194 HydrophobicContact CB-CB 4.15Å; V132-L194 PolarHBondContact N-O 3.39Å; V132-L194 PolarHBondContact O-N 3.22Å; L140-L194 HydrophobicContact CD2-CD1 3.76Å; V174-L194 HydrophobicContact CG1-CD2 4.07Å; N175-L194 WeakPolarHBondContact OD1-CA 3.29Å; Q188-L194 WeakPolarHBondContact O-CD2 3.35Å; L189-L194 HydrophobicContact CD2-CD1 4.32Å; C191-L194 HydrophobicContact CB-CD2 3.78Å; L194-I196 HydrophobicContact CB-CD1 4.48Å; L194-I196 HydrophobicContact CB-CG1 4.18Å; L194-I196 HydrophobicContact CD1-CD1 4.4Å
195K89.9Confident80.7Confident59 Ų5956.3 Ų56.326%0.25729%0.293SS..EExtended strand (participates in β ladder)trans-125.6101.3166.9-176.5-173178.7-160.70107.6Q129 I130 V174 N175 D176Q129-K195 HydrophobicContact CG-CG 3.9Å; I130-K195 CarbonylContact O-C 3.59Å; I130-K195 WeakPolarHBondContact O-CA 3.06Å; V174-K195 CarbonylContact C-O 3.53Å; V174-K195 WeakPolarHBondContact CA-O 3.21Å; N175-K195 PolarHBondContact N-O 3.48Å; N175-K195 PolarHBondContact OD1-N 3.48Å; D176-K195 VanDerWaalsContact CG-NZ 3.33Å; D176-K195 WeakPolarHBondContact OD1-CE 3.47Å; D176-K195 IonicContact OD1-NZ 2.9Å; D176-K195 PolarHBondContact OD1-NZ 2.93Å; D176-K195 IonicContact OD2-NZ 2.91Å; D176-K195 PolarHBondContact OD2-NZ 2.89Å
196I90.6Very high78.5Confident1 Ų158.6 Ų58.61%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-102.6126.3-173.4-50.3170.6000108.4Q129 I130 I171 V174 L189 L194 I198Q129-I196 CarbonylContact C-O 3.54Å; Q129-I196 WeakPolarHBondContact CA-O 3.22Å; I130-I196 HydrophobicContact CB-CB 4.34Å; I130-I196 PolarHBondContact N-O 2.85Å; I130-I196 PolarHBondContact O-N 3.21Å; I171-I196 HydrophobicContact CG2-CG2 4.18Å; V174-I196 HydrophobicContact CG1-CG1 4.49Å; V174-I196 HydrophobicContact CG2-CG2 4.48Å; L189-I196 HydrophobicContact CD2-CD1 3.57Å; L189-I196 HydrophobicContact CD2-CG1 4.08Å; L194-I196 HydrophobicContact CB-CD1 4.48Å; L194-I196 HydrophobicContact CB-CG1 4.18Å; L194-I196 HydrophobicContact CD1-CD1 4.4Å; I196-I198 HydrophobicContact CG2-CD1 3.57Å; I196-I198 HydrophobicContact CG2-CG1 4.01Å
197H89.5Confident76.2Confident1 Ų164.4 Ų64.41%0.00533%0.328CS..EExtended strand (participates in β ladder)trans-100.5122.5174.6-67.8-88.6000110F112 L114 F128 Q129 L172 A173 D176F112-H197 AromaticContact CE2-ND1 3.78Å; F112-H197 HydrophobicContact CZ-CB 4.05Å; F112-H197 AromaticContact CZ-ND1 3.82Å; L114-H197 HydrophobicContact CD1-CB 4.07Å; L114-H197 VanDerWaalsContact CD1-CD2 3.4Å; L114-H197 WeakPolarHBondContact CD1-CD2 3.44Å; F128-H197 WeakPolarHBondContact O-CA 3.35Å; Q129-H197 PolarHBondContact OE1-CE1 3.34Å; L172-H197 HydrophobicContact CB-CB 4.22Å; L172-H197 PolarHBondContact N-O 3.21Å; A173-H197 HydrophobicContact CB-CB 4.27Å; A173-H197 PolarHBondContact O-N 3.44Å; D176-H197 IonicContact OD1-CD2 2.86Å; D176-H197 IonicContact OD1-CE1 2.74Å; D176-H197 IonicContact OD1-NE2 2.96Å; D176-H197 PolarHBondContact OD1-NE2 3.49Å
198I89.7Confident74.2Confident1 Ų166.4 Ų66.41%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-118.3135.1-173.8-61.2-61.3000110.6Y127 F128 I130 L165 D169 R170 I171 I196Y127-I198 WeakPolarHBondContact CA-O 3.49Å; F128-I198 HydrophobicContact CB-CB 4.48Å; F128-I198 PolarHBondContact N-O 2.98Å; F128-I198 PolarHBondContact O-N 2.77Å; I130-I198 HydrophobicContact CD1-CG1 3.75Å; L165-I198 HydrophobicContact CD2-CD1 3.81Å; L165-I198 HydrophobicContact CD2-CG1 3.79Å; D169-I198 HydrophobicContact CB-CG2 3.64Å; R170-I198 WeakPolarHBondContact O-CA 3.32Å; I171-I198 HydrophobicContact CB-CD1 4.33Å; I171-I198 HydrophobicContact CG1-CD1 3.73Å; I196-I198 HydrophobicContact CG2-CD1 3.57Å; I196-I198 HydrophobicContact CG2-CG1 4.01Å
199E88.3Confident72.2Confident7 Ų771.5 Ų71.53%0.03336%0.358CS..EExtended strand (participates in β ladder)trans-99.9126.1160.7-179.7-174.693.700109.8K125 Y126 Y127 R170 L172K125-E199 HydrophobicContact CB-CG 3.98Å; K125-E199 HydrophobicContact CD-CG 3.81Å; K125-E199 VanDerWaalsContact CE-OE1 3.32Å; K125-E199 WeakPolarHBondContact CE-OE1 3.26Å; K125-E199 HydrophobicContact CG-CG 4.02Å; K125-E199 IonicContact NZ-OE1 3.88Å; K125-E199 PolarHBondContact NZ-OE1 3.3Å; Y126-E199 WeakPolarHBondContact O-CA 3.42Å; Y127-E199 HydrophobicContact CD1-CB 4.15Å; Y127-E199 HydrophobicContact CD1-CG 4.31Å; Y127-E199 HydrophobicContact CE1-CB 3.85Å; Y127-E199 HydrophobicContact CE1-CG 3.66Å; Y127-E199 WeakPolarHBondContact CE1-OE2 3.43Å; Y127-E199 PolarHBondContact OH-OE2 2.98Å; R170-E199 HydrophobicContact CB-CB 4.25Å; R170-E199 PolarHBondContact N-O 3.24Å; R170-E199 PolarHBondContact O-N 3.45Å; L172-E199 HydrophobicContact CD1-CB 3.99Å; L172-E199 HydrophobicContact CD2-CB 4.04Å; L172-E199 HydrophobicContact CG-CB 4.03Å
200R87.7Confident70.2Confident35 Ų3577.5 Ų77.513%0.13239%0.386CS..EExtended strand (participates in β ladder)trans-116.7135.6173.2-173.1173.5-69.4161.10.2110.5K125 Y126 F128 V164 D169K125-R200 CarbonylContact C-O 3.56Å; K125-R200 WeakPolarHBondContact CA-O 3.09Å; Y126-R200 PolarHBondContact N-O 3.4Å; Y126-R200 PolarHBondContact O-N 2.95Å; F128-R200 HydrophobicContact CD2-CB 4.29Å; F128-R200 HydrophobicContact CE2-CB 3.83Å; V164-R200 PolarHBondContact O-NH2 2.9Å; D169-R200 WeakPolarHBondContact OD1-CG 3.26Å; D169-R200 IonicContact OD1-CZ 3.5Å; D169-R200 IonicContact OD1-NE 3.21Å; D169-R200 PolarHBondContact OD1-NE 3.04Å; D169-R200 IonicContact OD1-NH2 3.63Å; D169-R200 IonicContact OD2-CZ 3.49Å; D169-R200 IonicContact OD2-NE 3.97Å; D169-R200 PolarHBondContact OD2-NE 3.26Å; D169-R200 IonicContact OD2-NH2 3.64Å; D169-R200 PolarHBondContact OD2-NH2 2.94Å
201S80.7Confident68.2Low69 Ų6977.5 Ų77.548%0.48339%0.387SS..EExtended strand (participates in β ladder)trans-74.4145.1174.4-57.70000111.6K125 E203K125-S201 PolarHBondContact NZ-OG 3.32Å; S201-E203 PolarHBondContact O-N 3.23Å
202Y71Confident66.4Low94 Ų9481.6 Ų81.637%0.36940%0.399SS..  trans-73.7103.6169.9-167.4-90.7000109.7N124 Y126 K204N124-Y202 WeakPolarHBondContact O-CB 3.49Å; N124-Y202 PolarHBondContact O-N 2.74Å; Y126-Y202 HydrophobicContact CD2-CD2 4.44Å; Y126-Y202 AromaticContact CE2-CD2 3.45Å; Y126-Y202 HydrophobicContact CE2-CD2 3.45Å; Y126-Y202 VanDerWaalsContact CE2-CD2 3.45Å; Y126-Y202 AromaticContact CE2-CE2 3.99Å; Y126-Y202 HydrophobicContact CE2-CE2 3.99Å; Y126-Y202 AromaticContact CZ-CD2 3.7Å; Y126-Y202 AromaticContact CZ-CE2 3.95Å; Y126-Y202 WeakPolarHBondContact OH-CD2 3.18Å; Y126-Y202 VanDerWaalsContact OH-CE2 3.22Å; Y126-Y202 WeakPolarHBondContact OH-CE2 3.41Å; Y202-K204 HydrophobicContact CD1-CG 3.87Å; Y202-K204 HydrophobicContact CE1-CB 4.31Å; Y202-K204 HydrophobicContact CE1-CG 3.73Å; Y202-K204 PolarHBondContact O-N 2.82Å
203E61.1Low64.9Low142 Ų14287.2 Ų87.266%0.66441%0.413SS*.  trans-78.6114.2161.1-83-175.3168.700108.7S201 T205 A206S201-E203 PolarHBondContact O-N 3.23Å; E203-T205 PolarHBondContact O-N 3.41Å; E203-A206 PolarHBondContact O-N 3.16Å
204K52Low62.9Low175 Ų17590.2 Ų90.276%0.76142%0.423SS*.THydrogen-bonded Turntrans-57.1-19.5177-85.4180175.7179.20113.5Y202Y202-K204 HydrophobicContact CD1-CG 3.87Å; Y202-K204 HydrophobicContact CE1-CB 4.31Å; Y202-K204 HydrophobicContact CE1-CG 3.73Å; Y202-K204 PolarHBondContact O-N 2.82Å
205T48.6Very low60.6Low94 Ų9495.7 Ų95.758%0.57746%0.457SS*.THydrogen-bonded Turntrans-75.7-22.2-177.342.80000113.8E203 Y207 E208E203-T205 PolarHBondContact O-N 3.41Å; T205-Y207 VanDerWaalsContact C-N 3.33Å; T205-Y207 PolarHBondContact O-N 2.9Å; T205-E208 PolarHBondContact O-N 3.38Å
206A44.1Very low58Low48 Ų4896.4 Ų96.440%0.39747%0.474SS..Hα-helixtrans-69.2-27.2-173.800000114.1E203 E208 E210E203-A206 PolarHBondContact O-N 3.16Å; A206-E208 VanDerWaalsContact C-N 3.26Å; A206-E208 PolarHBondContact O-N 3.06Å; A206-E210 PolarHBondContact O-N 2.7Å
207Y40.6Very low55.3Low156 Ų156103.6 Ų103.661%0.61251%0.507SS*.Hα-helixtrans-70.6-22.9179.9-159.3-94.9000112.9T205T205-Y207 VanDerWaalsContact C-N 3.33Å; T205-Y207 PolarHBondContact O-N 2.9Å
208E44.7Very low52.7Low134 Ų134109.4 Ų109.463%0.62655%0.545SS*.Hα-helixtrans-85.3-36.1177.3-72.2-163.8174.200113.2T205 A206 K212T205-E208 PolarHBondContact O-N 3.38Å; A206-E208 VanDerWaalsContact C-N 3.26Å; A206-E208 PolarHBondContact O-N 3.06Å; E208-K212 PolarHBondContact O-N 3.48Å; E208-K212 VanDerWaalsContact O-N 3.1Å
209E46.2Very low49.9Very low135 Ų135115.5 Ų115.563%0.63158%0.577SS**Hα-helixtrans-73.4-34.2-178.5-75.2-165.5154.400113.1Q211 K212 R213E209-Q211 VanDerWaalsContact C-N 3.33Å; E209-Q211 PolarHBondContact O-N 3.28Å; E209-K212 PolarHBondContact O-N 3.39Å; E209-R213 PolarHBondContact O-N 3.34Å
210E41.5Very low47.2Very low141 Ų141121.9 Ų121.966%0.65962%0.617SS**Hα-helixtrans-69.6-31.9178.5-133.4167-153.400111.9A206 N214A206-E210 PolarHBondContact O-N 2.7Å; E210-N214 PolarHBondContact O-N 3.39Å; E210-N214 PolarHBondContact O-ND2 3.2Å
211Q40.7Very low44.6Very low112 Ų112125.8 Ų125.852%0.52364%0.644SS.*Hα-helixtrans-73.7-34.6169.5-77.7-158.8-2.500113.1E209 N214 T215E209-Q211 VanDerWaalsContact C-N 3.33Å; E209-Q211 PolarHBondContact O-N 3.28Å; Q211-N214 PolarHBondContact O-N 3.05Å; Q211-T215 PolarHBondContact O-N 3.37Å; Q211-T215 VanDerWaalsContact O-N 3.16Å; Q211-T215 PolarHBondContact O-OG1 3.26Å
212K41.6Very low42.1Very low145 Ų145127.5 Ų127.563%0.6365%0.653SS**Hα-helixtrans-64.9-39.4177.1-82179.2-179.6170.20112.2E208 E209 N214 T215E208-K212 PolarHBondContact O-N 3.48Å; E208-K212 VanDerWaalsContact O-N 3.1Å; E209-K212 PolarHBondContact O-N 3.39Å; K212-N214 VanDerWaalsContact C-N 3.33Å; K212-N214 PolarHBondContact O-N 3.47Å; K212-T215 PolarHBondContact O-N 3.04Å
213R43.4Very low40Very low208 Ų208128.1 Ų128.179%0.78568%0.678SS**Hα-helixtrans-66.2-34.9174.7-74.4-170.5-175.4-178.73.2112.6E209 T215E209-R213 PolarHBondContact O-N 3.34Å; R213-T215 VanDerWaalsContact C-N 3.26Å; R213-T215 PolarHBondContact O-N 3.35Å
214N40.7Very low38.5Very low138 Ų138129.4 Ų129.474%0.73869%0.686SS**THydrogen-bonded Turntrans-79.2-2.6177.1-68.4-17.5000114.6E210 Q211 K212E210-N214 PolarHBondContact O-N 3.39Å; E210-N214 PolarHBondContact O-ND2 3.2Å; Q211-N214 PolarHBondContact O-N 3.05Å; K212-N214 VanDerWaalsContact C-N 3.33Å; K212-N214 PolarHBondContact O-N 3.47Å
215T39.7Very low37.5Very low114 Ų114126.1 Ų126.170%0.69968%0.683SS**THydrogen-bonded Turntrans-104.4-2177.8-44.60000112.7Q211 K212 R213Q211-T215 PolarHBondContact O-N 3.37Å; Q211-T215 VanDerWaalsContact O-N 3.16Å; Q211-T215 PolarHBondContact O-OG1 3.26Å; K212-T215 PolarHBondContact O-N 3.04Å; R213-T215 VanDerWaalsContact C-N 3.26Å; R213-T215 PolarHBondContact O-N 3.35Å
216A36.1Very low36.7Very low75 Ų75131.4 Ų131.462%0.6270%0.698SS**SBendtrans-92.2-4.5-168.600000116.2
217E33.5Very low36.2Very low152 Ų152133.2 Ų133.271%0.7171%0.713SS**  trans-129.3110.4171-84.4-168.4150.700111.2L219E217-L219 PolarHBondContact O-N 3.32Å
218P34Very low35.9Very low122 Ų122133.6 Ų133.679%0.79273%0.725SS**  trans-68.478.1158.329.8-30.2000107.7T220P218-T220 PolarHBondContact O-N 3.09Å
219L32Very low35.5Very low130 Ų130135 Ų13568%0.68173%0.731SS**  trans-55.8115165.9-102.7139.3000106.6E217 V221E217-L219 PolarHBondContact O-N 3.32Å; L219-V221 HydrophobicContact CB-CG2 4.18Å; L219-V221 PolarHBondContact O-N 3.14Å
220T30.8Very low35.1Very low141 Ų141139.4 Ų139.487%0.86574%0.742SS**  trans-70.775.9178.3-41.80000107P218 P222P218-T220 PolarHBondContact O-N 3.09Å; T220-P222 WeakPolarHBondContact O-CD 3.3Å
221V33.4Very low35.1Very low117 Ų117138.9 Ų138.971%0.70974%0.742SS**  trans-77.1122.3-179.4-172.60000107.8L219L219-V221 HydrophobicContact CB-CG2 4.18Å; L219-V221 PolarHBondContact O-N 3.14Å
222P29.4Very low35.4Very low104 Ų104137.9 Ų137.968%0.67575%0.747SS**  trans-61.9139.8-17824-32.1000110.9T220 M224T220-P222 WeakPolarHBondContact O-CD 3.3Å; P222-M224 PolarHBondContact O-N 3.47Å
223A26.8Very low35.6Very low108 Ų108138.1 Ų138.189%0.89375%0.75SS**  trans-56.910217800000110.7
224M28.8Very low35.9Very low169 Ų169135.3 Ų135.383%0.83375%0.746SS**  trans-114.2150164.5-92.1-158.683.100111P222P222-M224 PolarHBondContact O-N 3.47Å
225P31.6Very low36.2Very low105 Ų105131.3 Ų131.368%0.68273%0.729SS**  trans-85.3144.6-139.931-33.1000112.6A227P225-A227 VanDerWaalsContact C-N 3.34Å; P225-A227 PolarHBondContact O-N 2.8Å
226K32.2Very low36.8Very low205 Ų205130.8 Ų130.889%0.89172%0.719SS**  trans-11.579.7161-63174-179.9175.30114.1L228K226-L228 VanDerWaalsContact C-N 3.32Å; K226-L228 PolarHBondContact O-N 3.04Å
227A32Very low38Very low86 Ų86129.1 Ų129.171%0.71170%0.703SS**  trans-72.398.3160.900000105.7P225 H229P225-A227 VanDerWaalsContact C-N 3.34Å; P225-A227 PolarHBondContact O-N 2.8Å; A227-H229 PolarHBondContact O-N 3.01Å
228L33.9Very low39.3Very low165 Ų165125.9 Ų125.986%0.86469%0.689SS**  trans-46105.6165.5-118.397.3000106.8K226 R230K226-L228 VanDerWaalsContact C-N 3.32Å; K226-L228 PolarHBondContact O-N 3.04Å; L228-R230 PolarHBondContact O-N 3.2Å
229H36.5Very low40.8Very low164 Ų164126.4 Ų126.476%0.75968%0.681SS**  trans-55.4119.4176.3-89.5-79.5000107.5A227 I231A227-H229 PolarHBondContact O-N 3.01Å; H229-I231 HydrophobicContact CB-CG1 4.17Å; H229-I231 PolarHBondContact O-N 2.78Å
230R38.2Very low42.6Very low227 Ų227128.2 Ų128.286%0.85768%0.679SS**  trans-59.585.8166.5-74.8179.9172.6168.6-3.4107.9L228 S232L228-R230 PolarHBondContact O-N 3.2Å; R230-S232 PolarHBondContact O-N 3.2Å
231I41.8Very low44.5Very low130 Ų130128.7 Ų128.767%0.66767%0.665SS**  trans-80.1-3.4174.9-63.7166.1000110.6H229 S235H229-I231 HydrophobicContact CB-CG1 4.17Å; H229-I231 PolarHBondContact O-N 2.78Å; I231-S235 PolarHBondContact O-OG 3.31Å
232S47.2Very low46Very low90 Ų90126.8 Ų126.863%0.62965%0.647SS**Hα-helixtrans-84.3-28.8-165.5-156.70000116.6R230R230-S232 PolarHBondContact O-N 3.2Å
233E45.8Very low48.2Very low150 Ų150125.1 Ų125.170%0.70164%0.642SS**Hα-helixtrans-95.7-33.4-168.1-69.8-177.8178.900113.9S237E233-S237 PolarHBondContact O-N 3.22Å
234E49.5Very low50.9Low149 Ų149128.6 Ų128.670%0.69664%0.637SS**Hα-helixtrans-79-34.2-174.4-145.4171.2-162.700112.2S237 I238E234-S237 WeakPolarHBondContact O-CB 3.3Å; E234-S237 PolarHBondContact O-N 2.97Å; E234-S237 VanDerWaalsContact O-N 3.16Å; E234-S237 PolarHBondContact O-OG 3.45Å; E234-I238 WeakPolarHBondContact O-CG1 3.43Å; E234-I238 PolarHBondContact O-N 3.44Å; E234-I238 VanDerWaalsContact O-N 3.16Å
235S47.3Very low53.3Low54 Ų54123.4 Ų123.438%0.37861%0.613SS.*Hα-helixtrans-61.2-46.4174.8-52.60000111.8I231 S237 I238 E239I231-S235 PolarHBondContact O-OG 3.31Å; S235-S237 PolarHBondContact O-N 3.18Å; S235-I238 PolarHBondContact O-N 3.09Å; S235-I238 VanDerWaalsContact O-N 3.09Å; S235-E239 PolarHBondContact O-N 3.26Å
236E52.7Low56Low103 Ų103122.1 Ų122.148%0.48160%0.604SS.*Hα-helixtrans-58.5-37.4174.5-84.7-161.3-173.700112I238 R240E236-I238 VanDerWaalsContact C-N 3.31Å; E236-I238 PolarHBondContact O-N 3.16Å; E236-R240 WeakPolarHBondContact O-CB 3.42Å; E236-R240 VanDerWaalsContact O-CG 3.3Å; E236-R240 WeakPolarHBondContact O-CG 3.4Å; E236-R240 PolarHBondContact O-N 3.27Å; E236-R240 IonicContact OE2-CZ 3.65Å; E236-R240 IonicContact OE2-NH2 2.81Å; E236-R240 PolarHBondContact OE2-NH2 2.79Å
237S61.3Low58.4Low40 Ų40118.8 Ų118.828%0.2860%0.596SS.*Hα-helixtrans-66.4-33.5179.189.40000112.7E233 E234 S235 R241E233-S237 PolarHBondContact O-N 3.22Å; E234-S237 WeakPolarHBondContact O-CB 3.3Å; E234-S237 PolarHBondContact O-N 2.97Å; E234-S237 VanDerWaalsContact O-N 3.16Å; E234-S237 PolarHBondContact O-OG 3.45Å; S235-S237 PolarHBondContact O-N 3.18Å; S237-R241 WeakPolarHBondContact O-CB 3.49Å; S237-R241 VanDerWaalsContact O-CG 3.3Å; S237-R241 WeakPolarHBondContact O-CG 3.4Å; S237-R241 PolarHBondContact O-N 2.94Å; S237-R241 PolarHBondContact O-NE 3.03Å; S237-R241 PolarHBondContact OG-NH2 3Å
238I59.7Low60.8Low84 Ų84118.9 Ų118.943%0.43159%0.585SS.*Hα-helixtrans-79.8-43.4-178.2-63.7165.6000109.3E234 S235 E236 R240 R241 F242E234-I238 WeakPolarHBondContact O-CG1 3.43Å; E234-I238 PolarHBondContact O-N 3.44Å; E234-I238 VanDerWaalsContact O-N 3.16Å; S235-I238 PolarHBondContact O-N 3.09Å; S235-I238 VanDerWaalsContact O-N 3.09Å; E236-I238 VanDerWaalsContact C-N 3.31Å; E236-I238 PolarHBondContact O-N 3.16Å; I238-R240 PolarHBondContact O-N 2.87Å; I238-R241 WeakPolarHBondContact O-CB 3.05Å; I238-R241 PolarHBondContact O-N 2.96Å; I238-R241 VanDerWaalsContact O-N 3.16Å; I238-F242 HydrophobicContact CG2-CD2 4.25Å; I238-F242 PolarHBondContact O-N 3.22Å
239E67.1Low63Low133 Ų133113.5 Ų113.562%0.62156%0.559SS**Hα-helixtrans-59.7-44.1175.1-108.9105.3-14200111.6S235 R241 F242 A243S235-E239 PolarHBondContact O-N 3.26Å; E239-R241 VanDerWaalsContact C-N 3.31Å; E239-R241 PolarHBondContact O-N 3.03Å; E239-F242 WeakPolarHBondContact O-CB 3.5Å; E239-F242 PolarHBondContact O-N 3.16Å; E239-A243 PolarHBondContact O-N 3.11Å
240R69Low65.3Low169 Ų169107 Ų10764%0.63853%0.529SS*.Hα-helixtrans-63.9-35.4176.1-72.7-176.2-158.3-177.510.3112.5E236 I238E236-R240 WeakPolarHBondContact O-CB 3.42Å; E236-R240 VanDerWaalsContact O-CG 3.3Å; E236-R240 WeakPolarHBondContact O-CG 3.4Å; E236-R240 PolarHBondContact O-N 3.27Å; E236-R240 IonicContact OE2-CZ 3.65Å; E236-R240 IonicContact OE2-NH2 2.81Å; E236-R240 PolarHBondContact OE2-NH2 2.79Å; I238-R240 PolarHBondContact O-N 2.87Å
241R69.7Low67.5Low151 Ų151104.3 Ų104.357%0.5752%0.518SS*.Hα-helixtrans-67.8-39174.2-80.7-178.4-82.6-179-6.5111.5S237 I238 E239 A243 K244S237-R241 WeakPolarHBondContact O-CB 3.49Å; S237-R241 VanDerWaalsContact O-CG 3.3Å; S237-R241 WeakPolarHBondContact O-CG 3.4Å; S237-R241 PolarHBondContact O-N 2.94Å; S237-R241 PolarHBondContact O-NE 3.03Å; S237-R241 PolarHBondContact OG-NH2 3Å; I238-R241 WeakPolarHBondContact O-CB 3.05Å; I238-R241 PolarHBondContact O-N 2.96Å; I238-R241 VanDerWaalsContact O-N 3.16Å; E239-R241 VanDerWaalsContact C-N 3.31Å; E239-R241 PolarHBondContact O-N 3.03Å; R241-A243 VanDerWaalsContact C-N 3.35Å; R241-K244 PolarHBondContact O-N 2.89Å
242F66.6Low69.7Low77 Ų77102 Ų10234%0.33851%0.506SS..Hα-helixtrans-63.7-39.4175.8-111.2-96.2000112.6I238 E239 K244 L245 Q250 L253I238-F242 HydrophobicContact CG2-CD2 4.25Å; I238-F242 PolarHBondContact O-N 3.22Å; E239-F242 WeakPolarHBondContact O-CB 3.5Å; E239-F242 PolarHBondContact O-N 3.16Å; F242-K244 PolarHBondContact O-N 2.79Å; F242-L245 HydrophobicContact CD1-CD1 4.35Å; F242-L245 WeakPolarHBondContact O-CB 3.42Å; F242-L245 PolarHBondContact O-N 3.02Å; F242-L245 VanDerWaalsContact O-N 3.11Å; F242-Q250 VanDerWaalsContact O-CD 3.32Å; F242-Q250 WeakPolarHBondContact O-CG 3.47Å; F242-Q250 PolarHBondContact O-NE2 3.1Å; F242-L253 HydrophobicContact CD1-CD1 4.41Å; F242-L253 HydrophobicContact CE1-CB 3.55Å; F242-L253 HydrophobicContact CE1-CD1 3.52Å; F242-L253 HydrophobicContact CE1-CG 4.17Å; F242-L253 HydrophobicContact CZ-CB 3.89Å; F242-L253 HydrophobicContact CZ-CD1 3.6Å; F242-L253 HydrophobicContact CZ-CG 4.28Å
243A75.1Confident71.3Confident69 Ų69100.6 Ų100.657%0.5749%0.492SS*.Hα-helixtrans-63.5-22.3178.800000113.7E239 R241 L245 Q250E239-A243 PolarHBondContact O-N 3.11Å; R241-A243 VanDerWaalsContact C-N 3.35Å; A243-L245 VanDerWaalsContact C-N 3.31Å; A243-Q250 PolarHBondContact O-NE2 2.89Å
244K83Confident73.2Confident180 Ų180100.7 Ų100.778%0.78349%0.486SS*.THydrogen-bonded Turntrans-79.7-11.4176.9-67-178.6179.7-173.80113.6R241 F242R241-K244 PolarHBondContact O-N 2.89Å; F242-K244 PolarHBondContact O-N 2.79Å
245L80.2Confident74.8Confident61 Ų6197.5 Ų97.532%0.31948%0.476SS..SBendtrans-77.3148-179.1-65.1172.1000110.7F242 A243 V249 Q250 L253F242-L245 HydrophobicContact CD1-CD1 4.35Å; F242-L245 WeakPolarHBondContact O-CB 3.42Å; F242-L245 PolarHBondContact O-N 3.02Å; F242-L245 VanDerWaalsContact O-N 3.11Å; A243-L245 VanDerWaalsContact C-N 3.31Å; L245-V249 HydrophobicContact CB-CB 4.4Å; L245-V249 HydrophobicContact CB-CG1 4.33Å; L245-V249 HydrophobicContact CD1-CG1 4.14Å; L245-Q250 HydrophobicContact CB-CG 3.81Å; L245-Q250 PolarHBondContact O-NE2 2.87Å; L245-L253 HydrophobicContact CD1-CD1 3.62Å
246P86.8Confident76.5Confident78 Ų78101.3 Ų101.351%0.50649%0.486SS..  trans-51.3145.5168.7-3038.6000112.8D248 V249 Q250P246-D248 VanDerWaalsContact C-N 3.26Å; P246-D248 WeakPolarHBondContact CB-OD1 3.43Å; P246-D248 PolarHBondContact O-N 2.8Å; P246-V249 HydrophobicContact CB-CG2 4.23Å; P246-V249 WeakPolarHBondContact O-CB 3.46Å; P246-V249 PolarHBondContact O-N 2.73Å; P246-Q250 PolarHBondContact O-N 3.16Å
247N83.8Confident78Confident135 Ų135102.7 Ų102.772%0.72249%0.491SS*.Hα-helixtrans-57.9-36-172.9-79.3-23.8000113.5R251N247-R251 WeakPolarHBondContact O-CB 3.4Å; N247-R251 PolarHBondContact O-N 3.01Å
248D81.9Confident79Confident88 Ų88106.6 Ų106.647%0.47150%0.504SS..Hα-helixtrans-63.4-44.3175.461.6-35.1000111.7P246 R251 I252P246-D248 VanDerWaalsContact C-N 3.26Å; P246-D248 WeakPolarHBondContact CB-OD1 3.43Å; P246-D248 PolarHBondContact O-N 2.8Å; D248-R251 PolarHBondContact O-N 3.37Å; D248-I252 WeakPolarHBondContact O-CD1 3.39Å; D248-I252 VanDerWaalsContact O-CG1 3.27Å; D248-I252 WeakPolarHBondContact O-CG1 3.12Å; D248-I252 PolarHBondContact O-N 3.39Å
249V80.8Confident80.2Confident52 Ų52109.3 Ų109.332%0.31551%0.509SS..Hα-helixtrans-65.9-45.5176.5-179.30000110.8L245 P246 R251 I252 L253L245-V249 HydrophobicContact CB-CB 4.4Å; L245-V249 HydrophobicContact CB-CG1 4.33Å; L245-V249 HydrophobicContact CD1-CG1 4.14Å; P246-V249 HydrophobicContact CB-CG2 4.23Å; P246-V249 WeakPolarHBondContact O-CB 3.46Å; P246-V249 PolarHBondContact O-N 2.73Å; V249-R251 VanDerWaalsContact C-N 3.3Å; V249-R251 PolarHBondContact O-N 3.41Å; V249-I252 PolarHBondContact O-N 3.24Å; V249-L253 HydrophobicContact CG1-CD1 3.87Å; V249-L253 HydrophobicContact CG1-CG 4.3Å; V249-L253 WeakPolarHBondContact O-CB 3.27Å; V249-L253 WeakPolarHBondContact O-CG 3.33Å; V249-L253 PolarHBondContact O-N 3.26Å
250Q83.8Confident80.7Confident27 Ų27108 Ų10813%0.12651%0.506CS..Hα-helixtrans-57.2-44.7176.4-69.4-17034.600111.5F242 A243 L245 P246 L253 R254F242-Q250 VanDerWaalsContact O-CD 3.32Å; F242-Q250 WeakPolarHBondContact O-CG 3.47Å; F242-Q250 PolarHBondContact O-NE2 3.1Å; A243-Q250 PolarHBondContact O-NE2 2.89Å; L245-Q250 HydrophobicContact CB-CG 3.81Å; L245-Q250 PolarHBondContact O-NE2 2.87Å; P246-Q250 PolarHBondContact O-N 3.16Å; Q250-L253 PolarHBondContact O-N 3.3Å; Q250-R254 WeakPolarHBondContact O-CG 3.49Å; Q250-R254 PolarHBondContact O-N 3.1Å
251R85Confident81.2Confident171 Ų171104.2 Ų104.265%0.64550%0.498SS*.Hα-helixtrans-60.7-49.1177.1-177.2-17960.6170.2-1.7111.5N247 D248 V249 L253 R254 T255N247-R251 WeakPolarHBondContact O-CB 3.4Å; N247-R251 PolarHBondContact O-N 3.01Å; D248-R251 PolarHBondContact O-N 3.37Å; V249-R251 VanDerWaalsContact C-N 3.3Å; V249-R251 PolarHBondContact O-N 3.41Å; R251-L253 VanDerWaalsContact C-N 3.3Å; R251-L253 PolarHBondContact O-N 3.03Å; R251-R254 PolarHBondContact O-N 3.39Å; R251-T255 PolarHBondContact O-N 2.96Å; R251-T255 PolarHBondContact O-OG1 2.88Å; R251-T255 VanDerWaalsContact O-OG1 3.05Å
252I86.3Confident81.6Confident81 Ų81102.8 Ų102.842%0.41550%0.498SS..Hα-helixtrans-59.1-43.5179.2-68.7163.4000111.1D248 V249 T255 K256D248-I252 WeakPolarHBondContact O-CD1 3.39Å; D248-I252 VanDerWaalsContact O-CG1 3.27Å; D248-I252 WeakPolarHBondContact O-CG1 3.12Å; D248-I252 PolarHBondContact O-N 3.39Å; V249-I252 PolarHBondContact O-N 3.24Å; I252-T255 PolarHBondContact O-N 2.7Å; I252-K256 HydrophobicContact CG2-CD 4.31Å; I252-K256 WeakPolarHBondContact O-CB 3.48Å; I252-K256 WeakPolarHBondContact O-CG 3.41Å; I252-K256 PolarHBondContact O-N 2.95Å
253L82.5Confident82Confident61 Ų61103.4 Ų103.432%0.31951%0.505SS..Hα-helixtrans-67.9-39.1-179.7-69.8174.2000112.2F242 L245 V249 Q250 R251 K256 K257F242-L253 HydrophobicContact CD1-CD1 4.41Å; F242-L253 HydrophobicContact CE1-CB 3.55Å; F242-L253 HydrophobicContact CE1-CD1 3.52Å; F242-L253 HydrophobicContact CE1-CG 4.17Å; F242-L253 HydrophobicContact CZ-CB 3.89Å; F242-L253 HydrophobicContact CZ-CD1 3.6Å; F242-L253 HydrophobicContact CZ-CG 4.28Å; L245-L253 HydrophobicContact CD1-CD1 3.62Å; V249-L253 HydrophobicContact CG1-CD1 3.87Å; V249-L253 HydrophobicContact CG1-CG 4.3Å; V249-L253 WeakPolarHBondContact O-CB 3.27Å; V249-L253 WeakPolarHBondContact O-CG 3.33Å; V249-L253 PolarHBondContact O-N 3.26Å; Q250-L253 PolarHBondContact O-N 3.3Å; R251-L253 VanDerWaalsContact C-N 3.3Å; R251-L253 PolarHBondContact O-N 3.03Å; L253-K256 PolarHBondContact O-N 2.94Å; L253-K257 WeakPolarHBondContact O-CB 3.43Å; L253-K257 PolarHBondContact O-N 3.27Å
254R84.4Confident81.8Confident152 Ų152104.6 Ų104.657%0.57450%0.501SS*.Hα-helixtrans-62.3-48.2173.4-74.3-177-172.2-175.74.4111.7Q250 R251 K256 K257 E258Q250-R254 WeakPolarHBondContact O-CG 3.49Å; Q250-R254 PolarHBondContact O-N 3.1Å; R251-R254 PolarHBondContact O-N 3.39Å; R254-K256 VanDerWaalsContact C-N 3.29Å; R254-K256 PolarHBondContact O-N 2.71Å; R254-K257 WeakPolarHBondContact O-CB 3.42Å; R254-K257 PolarHBondContact O-N 2.91Å; R254-K257 VanDerWaalsContact O-N 3.09Å; R254-E258 PolarHBondContact O-N 3.38Å
255T84.1Confident81.5Confident81 Ų8198.1 Ų98.150%0.49748%0.481SS..Hα-helixtrans-60.4-39.4176.8-54.70000112R251 I252 R259R251-T255 PolarHBondContact O-N 2.96Å; R251-T255 PolarHBondContact O-OG1 2.88Å; R251-T255 VanDerWaalsContact O-OG1 3.05Å; I252-T255 PolarHBondContact O-N 2.7Å; T255-R259 WeakPolarHBondContact O-CB 3.4Å; T255-R259 PolarHBondContact O-N 2.71Å; T255-R259 VanDerWaalsContact O-N 3.11Å
256K83.6Confident81.1Confident134 Ų134101.1 Ų101.158%0.58349%0.493SS*.Hα-helixtrans-66.9-38.1175.2-79.1-174.8177.1-178.40112.4I252 L253 R254 L260I252-K256 HydrophobicContact CG2-CD 4.31Å; I252-K256 WeakPolarHBondContact O-CB 3.48Å; I252-K256 WeakPolarHBondContact O-CG 3.41Å; I252-K256 PolarHBondContact O-N 2.95Å; L253-K256 PolarHBondContact O-N 2.94Å; R254-K256 VanDerWaalsContact C-N 3.29Å; R254-K256 PolarHBondContact O-N 2.71Å; K256-L260 WeakPolarHBondContact O-CG 3.45Å; K256-L260 PolarHBondContact O-N 2.93Å
257K83.4Confident80.1Confident133 Ų133102.5 Ų102.558%0.57850%0.5SS*.Hα-helixtrans-63.2-50.7176.1-176.8-176.2174.9-175.70110.9L253 R254 R259 L260 D261L253-K257 WeakPolarHBondContact O-CB 3.43Å; L253-K257 PolarHBondContact O-N 3.27Å; R254-K257 WeakPolarHBondContact O-CB 3.42Å; R254-K257 PolarHBondContact O-N 2.91Å; R254-K257 VanDerWaalsContact O-N 3.09Å; K257-R259 VanDerWaalsContact C-N 3.28Å; K257-R259 PolarHBondContact O-N 2.9Å; K257-L260 PolarHBondContact O-N 3.05Å; K257-L260 VanDerWaalsContact O-N 3.12Å; K257-D261 PolarHBondContact O-N 2.97Å
258E82.1Confident79.2Confident122 Ų122106.3 Ų106.357%0.5750%0.504SS*.Hα-helixtrans-55.9-43.7177.4-73.6166.9-175.800111.7R254 L260 D261 E262R254-E258 PolarHBondContact O-N 3.38Å; E258-L260 PolarHBondContact O-N 3.34Å; E258-D261 PolarHBondContact O-N 2.94Å; E258-E262 PolarHBondContact O-N 3.11Å
259R84.8Confident78.3Confident140 Ų140109.4 Ų109.453%0.52852%0.516SS..Hα-helixtrans-65.7-38178.2-165.5168.7-172.1173.16.2113.3T255 K257 D261 E262 D263T255-R259 WeakPolarHBondContact O-CB 3.4Å; T255-R259 PolarHBondContact O-N 2.71Å; T255-R259 VanDerWaalsContact O-N 3.11Å; K257-R259 VanDerWaalsContact C-N 3.28Å; K257-R259 PolarHBondContact O-N 2.9Å; R259-D261 VanDerWaalsContact C-N 3.34Å; R259-E262 PolarHBondContact O-N 3.12Å; R259-D263 WeakPolarHBondContact O-CB 3.45Å; R259-D263 VanDerWaalsContact O-CG 3.31Å; R259-D263 PolarHBondContact O-N 3.48Å
260L77.3Confident76.9Confident107 Ų107114.1 Ų114.156%0.5654%0.535SS*.Hα-helixtrans-66.9-37.8173.9-80.7167.5000111.7K256 K257 E258 D263 L264K256-L260 WeakPolarHBondContact O-CG 3.45Å; K256-L260 PolarHBondContact O-N 2.93Å; K257-L260 PolarHBondContact O-N 3.05Å; K257-L260 VanDerWaalsContact O-N 3.12Å; E258-L260 PolarHBondContact O-N 3.34Å; L260-D263 PolarHBondContact O-N 2.92Å; L260-L264 WeakPolarHBondContact O-CB 3.33Å; L260-L264 PolarHBondContact O-N 3.49Å
261D78.9Confident75.2Confident88 Ų88118 Ų11847%0.47156%0.562SS.*Hα-helixtrans-67-39.7176.8-71.4-25.6000111K257 E258 R259 L264 A265K257-D261 PolarHBondContact O-N 2.97Å; E258-D261 PolarHBondContact O-N 2.94Å; R259-D261 VanDerWaalsContact C-N 3.34Å; D261-L264 PolarHBondContact O-N 3.09Å; D261-A265 WeakPolarHBondContact O-CB 3.42Å; D261-A265 PolarHBondContact O-N 3.32Å
262E79.4Confident73.6Confident122 Ų122114.3 Ų114.357%0.5757%0.568SS**Hα-helixtrans-60.8-49.9169.8-81.8-177.7162.700112.1E258 R259 L264 A265 H266E258-E262 PolarHBondContact O-N 3.11Å; R259-E262 PolarHBondContact O-N 3.12Å; E262-L264 VanDerWaalsContact C-N 3.3Å; E262-L264 PolarHBondContact O-N 3.06Å; E262-A265 WeakPolarHBondContact O-CB 3.3Å; E262-A265 PolarHBondContact O-N 3.47Å; E262-A265 VanDerWaalsContact O-N 3.14Å; E262-H266 PolarHBondContact O-N 2.91Å; E262-H266 PolarHBondContact O-ND1 3.22Å
263D74.7Confident71.8Confident89 Ų89118.7 Ų118.748%0.47659%0.587SS.*Hα-helixtrans-60.3-41.4179.3-75-17.3000110.9R259 L260 H266 V267R259-D263 WeakPolarHBondContact O-CB 3.45Å; R259-D263 VanDerWaalsContact O-CG 3.31Å; R259-D263 PolarHBondContact O-N 3.48Å; L260-D263 PolarHBondContact O-N 2.92Å; D263-H266 PolarHBondContact O-N 3.04Å; D263-V267 VanDerWaalsContact O-CG2 3.3Å; D263-V267 WeakPolarHBondContact O-CG2 3.49Å; D263-V267 PolarHBondContact O-N 3.33Å
264L71.1Confident69.7Low94 Ų94126.5 Ų126.549%0.49261%0.612SS.*Hα-helixtrans-63.7-39.8174.7-93.8160.7000112.4L260 D261 E262 V267 R268L260-L264 WeakPolarHBondContact O-CB 3.33Å; L260-L264 PolarHBondContact O-N 3.49Å; D261-L264 PolarHBondContact O-N 3.09Å; E262-L264 VanDerWaalsContact C-N 3.3Å; E262-L264 PolarHBondContact O-N 3.06Å; L264-V267 PolarHBondContact O-N 2.94Å; L264-R268 WeakPolarHBondContact O-CG 3.46Å; L264-R268 PolarHBondContact O-N 3.09Å
265A76.9Confident67.6Low44 Ų44124.8 Ų124.836%0.36462%0.618SS.*Hα-helixtrans-64-43.9175.300000111.3D261 E262 V267 R268 Q269D261-A265 WeakPolarHBondContact O-CB 3.42Å; D261-A265 PolarHBondContact O-N 3.32Å; E262-A265 WeakPolarHBondContact O-CB 3.3Å; E262-A265 PolarHBondContact O-N 3.47Å; E262-A265 VanDerWaalsContact O-N 3.14Å; A265-V267 PolarHBondContact O-N 3.49Å; A265-R268 PolarHBondContact O-N 2.94Å; A265-Q269 WeakPolarHBondContact O-CG 3.39Å; A265-Q269 PolarHBondContact O-N 2.96Å
266H72Confident65.3Low125 Ų125128 Ų12858%0.57963%0.632SS**Hα-helixtrans-60.7-43.1175.7-76.482.9000112E262 D263 R268 Q269 Q270E262-H266 PolarHBondContact O-N 2.91Å; E262-H266 PolarHBondContact O-ND1 3.22Å; D263-H266 PolarHBondContact O-N 3.04Å; H266-R268 VanDerWaalsContact C-N 3.33Å; H266-R268 PolarHBondContact O-N 3.49Å; H266-Q269 PolarHBondContact O-N 3.14Å; H266-Q270 PolarHBondContact O-N 2.89Å; H266-Q270 VanDerWaalsContact O-N 3.13Å
267V65.4Low63.3Low107 Ų107126.2 Ų126.265%0.64864%0.637SS**Hα-helixtrans-65.2-36.7177.5171.90000111.7D263 L264 A265 Q269D263-V267 VanDerWaalsContact O-CG2 3.3Å; D263-V267 WeakPolarHBondContact O-CG2 3.49Å; D263-V267 PolarHBondContact O-N 3.33Å; L264-V267 PolarHBondContact O-N 2.94Å; A265-V267 PolarHBondContact O-N 3.49Å; V267-Q269 VanDerWaalsContact C-N 3.35Å
268R65.3Low61.1Low214 Ų214124.7 Ų124.781%0.80865%0.649SS**Hα-helixtrans-71-30.2176.3-76.8179.8177.1-179.31.4113.1L264 A265 H266L264-R268 WeakPolarHBondContact O-CG 3.46Å; L264-R268 PolarHBondContact O-N 3.09Å; A265-R268 PolarHBondContact O-N 2.94Å; H266-R268 VanDerWaalsContact C-N 3.33Å; H266-R268 PolarHBondContact O-N 3.49Å
269Q62.2Low58.9Low153 Ų153122.7 Ų122.772%0.71566%0.661SS**Hα-helixtrans-85.3-12.6-179.8-72.5-176.49.100113.7A265 H266 V267 P271A265-Q269 WeakPolarHBondContact O-CG 3.39Å; A265-Q269 PolarHBondContact O-N 2.96Å; H266-Q269 PolarHBondContact O-N 3.14Å; V267-Q269 VanDerWaalsContact C-N 3.35Å; Q269-P271 WeakPolarHBondContact O-CD 3.39Å
270Q51.7Low56.5Low152 Ų152122.7 Ų122.771%0.7168%0.677SS**SBendtrans-59.8114.2173.4-90.3-150.3-37.300109.7H266 A272H266-Q270 PolarHBondContact O-N 2.89Å; H266-Q270 VanDerWaalsContact O-N 3.13Å; Q270-A272 PolarHBondContact O-N 3.39Å
271P48.1Very low54.5Low109 Ų109126.4 Ų126.471%0.70869%0.688SS**  trans-60.1134171.1-15.129.8000107.3Q269 E273Q269-P271 WeakPolarHBondContact O-CD 3.39Å; P271-E273 VanDerWaalsContact C-N 3.35Å; P271-E273 PolarHBondContact O-N 3.35Å
272A51.7Low52.3Low92 Ų92128.4 Ų128.476%0.7671%0.707SS**  trans-56.6104.3167.700000107.1Q270 R274Q270-A272 PolarHBondContact O-N 3.39Å; A272-R274 PolarHBondContact O-N 3.4Å
273E47.4Very low50.4Low174 Ų174128.5 Ų128.581%0.81372%0.715SS**  trans-54.6109.1174-77.2-175.5163.700106.9P271 V275P271-E273 VanDerWaalsContact C-N 3.35Å; P271-E273 PolarHBondContact O-N 3.35Å; E273-V275 PolarHBondContact O-N 2.98Å
274R39.8Very low48.4Very low224 Ų224134.8 Ų134.885%0.84573%0.732SS**  trans-69.786.1176-66.2-177-178.2169.60.2106.6A272 D276A272-R274 PolarHBondContact O-N 3.4Å; R274-D276 VanDerWaalsContact C-N 3.3Å; R274-D276 PolarHBondContact O-N 3.02Å; R274-D276 VanDerWaalsContact O-N 3.17Å
275V39.9Very low46.7Very low117 Ų117135 Ų13571%0.70974%0.738SS**  trans-79.594162.3-175.70000105.8E273 S277E273-V275 PolarHBondContact O-N 2.98Å; V275-S277 PolarHBondContact O-N 3.45Å
276D35.3Very low44.7Very low148 Ų148143 Ų14379%0.79176%0.758SS**  trans-60.995.3168.8-70.6-38.7000108.7R274R274-D276 VanDerWaalsContact C-N 3.3Å; R274-D276 PolarHBondContact O-N 3.02Å; R274-D276 VanDerWaalsContact O-N 3.17Å
277S41.4Very low43.1Very low97 Ų97143.9 Ų143.968%0.67877%0.766SS**  trans-152.795.7168.7-68.10000109.1V275V275-S277 PolarHBondContact O-N 3.45Å
278A38.2Very low41.8Very low100 Ų100143 Ų14383%0.82677%0.77SS**  trans18.7105.2155.500000117.8
279G35.5Very low40.5Very low81 Ų81138 Ų13884%0.83577%0.768SS**  trans67.359.7135.600000117.1
280T35.1Very low39.4Very low140 Ų140139.4 Ų139.486%0.85977%0.772SS**  trans-151.8137.6150.6-4.30000110
281K34.9Very low38.9Very low184 Ų184139.4 Ų139.480%0.878%0.775SS**  trans-47.9145.2-170.1-67.3173.4179.1176.80112.2V283K281-V283 PolarHBondContact O-N 2.88Å
282P32.7Very low38.4Very low131 Ų131140.7 Ų140.785%0.85177%0.774SS**  trans-62.499-174.925.5-34.1000110.9R284P282-R284 PolarHBondContact O-N 3.15Å; P282-R284 VanDerWaalsContact O-N 3.15Å
283V38.7Very low37.7Very low124 Ų124144.7 Ų144.775%0.75278%0.777SS**  trans-76101.6170.6-1780000106.7K281 V285K281-V283 PolarHBondContact O-N 2.88Å; V283-V285 HydrophobicContact CB-CG2 4.44Å; V283-V285 HydrophobicContact CG1-CG2 3.72Å; V283-V285 PolarHBondContact O-N 2.85Å
284R32.5Very low37.3Very low220 Ų220145.6 Ų145.683%0.8378%0.778SS**  trans-72.980.3176.7-156177.5-172-179.53.9108.8P282 R286P282-R284 PolarHBondContact O-N 3.15Å; P282-R284 VanDerWaalsContact O-N 3.15Å; R284-R286 PolarHBondContact O-N 2.78Å; R284-R286 VanDerWaalsContact O-N 3.09Å
285V36Very low37.2Very low100 Ų100143.2 Ų143.261%0.60677%0.769SS**  trans-72.4100.5177.2-1740000108.6V283 L287V283-V285 HydrophobicContact CB-CG2 4.44Å; V283-V285 HydrophobicContact CG1-CG2 3.72Å; V283-V285 PolarHBondContact O-N 2.85Å; V285-L287 VanDerWaalsContact C-N 3.26Å; V285-L287 HydrophobicContact CG1-CD1 3.91Å; V285-L287 HydrophobicContact CG1-CG 4Å; V285-L287 PolarHBondContact O-N 2.92Å
286R35.8Very low37.4Very low212 Ų212143.3 Ų143.380%0.877%0.765SS**  trans-72.381.1169-80.1-180167.8158.2-4.4109.7R284 A288R284-R286 PolarHBondContact O-N 2.78Å; R284-R286 VanDerWaalsContact O-N 3.09Å; R286-A288 VanDerWaalsContact C-N 3.33Å; R286-A288 PolarHBondContact O-N 2.98Å
287L37.4Very low37.6Very low143 Ų143144 Ų14475%0.74976%0.763SS**  trans-73.780.5167.7-95.1145.3000109.6V285V285-L287 VanDerWaalsContact C-N 3.26Å; V285-L287 HydrophobicContact CG1-CD1 3.91Å; V285-L287 HydrophobicContact CG1-CG 4Å; V285-L287 PolarHBondContact O-N 2.92Å
288A38Very low37.8Very low87 Ų87143.3 Ų143.372%0.71976%0.758SS**  trans-123.53.2178.600000115.3R286R286-A288 VanDerWaalsContact C-N 3.33Å; R286-A288 PolarHBondContact O-N 2.98Å
289S38.8Very low38.1Very low109 Ų109145 Ų14576%0.76275%0.753SS**SBendtrans-112.71.3-172.845.60000116.1
290K38.4Very low38.3Very low184 Ų184146.7 Ų146.780%0.874%0.742SS**SBendtrans-90.1-4.9-179.2-82.6-171176.9-179.30116.5
291I41.8Very low38.5Very low151 Ų151145.2 Ų145.277%0.77474%0.735SS**SBendtrans-95-18.2-173-63.3177.3000114Q293I291-Q293 PolarHBondContact O-N 3.27Å
292I36.8Very low39Very low137 Ų137145.4 Ų145.470%0.70374%0.738SS**THydrogen-bonded Turntrans-82.3-18.7-170.9-60.2177.6000113.9
293Q37.1Very low39.3Very low175 Ų175144.3 Ų144.382%0.81873%0.734SS**THydrogen-bonded Turntrans-85.6-15.2-176.9-88.5-178.9-26.600115.8I291I291-Q293 PolarHBondContact O-N 3.27Å
294K40.3Very low39.5Very low193 Ų193149.3 Ų149.384%0.83974%0.739SS**SBendtrans-88.7-9-174.3-88.4-168.5175.1-175.30116.2
295R37.6Very low40Very low174 Ų174145.1 Ų145.166%0.65774%0.738SS**SBendtrans-102-8-177.2-84-171.6-179.7167.43.5116.5H297R295-H297 PolarHBondContact O-N 3.22Å
296I42.8Very low40.3Very low120 Ų120151.5 Ų151.562%0.61575%0.752SS**THydrogen-bonded Turntrans-75.2-14.9179.1-53.8178000111.6
297H40.1Very low40.7Very low163 Ų163149.9 Ų149.976%0.75575%0.753SS**THydrogen-bonded Turntrans-91.8-2.6-176.9-71.5-27.8000116.2R295R295-H297 PolarHBondContact O-N 3.22Å
298S46.3Very low41.3Very low82 Ų82151 Ų15157%0.57376%0.759SS**THydrogen-bonded Turntrans-99.5-23.6176.859.30000114.7
299D43.4Very low41.7Very low136 Ų136158.4 Ų158.473%0.72777%0.768SS**SBendtrans-96.1-1.4-169.1-68.75.3000113.5P301D299-P301 WeakPolarHBondContact O-CD 3.1Å
300I39.1Very low42.4Very low116 Ų116162.3 Ų162.360%0.59577%0.771SS**SBendtrans-77.5109.4161.1-57175.2000104.9Q302I300-Q302 PolarHBondContact O-N 3.45Å
301P40.3Very low42.7Very low108 Ų108158.9 Ų158.970%0.70177%0.768SS**  trans-54.2114.8171.822.1-30.8000106.3D299 S303D299-P301 WeakPolarHBondContact O-CD 3.1Å; P301-S303 PolarHBondContact O-N 3.13Å
302Q44.1Very low43.5Very low188 Ų188157.7 Ų157.788%0.87977%0.77SS**  trans-60.391.3164.3-72.1-169.7-13.500104.6I300 R304I300-Q302 PolarHBondContact O-N 3.45Å; Q302-R304 PolarHBondContact O-N 3.46Å
303S41Very low43.9Very low109 Ų109164.6 Ų164.676%0.76280%0.795SS**  trans-62.291.2172.254.10000104.8P301 T305P301-S303 PolarHBondContact O-N 3.13Å; S303-T305 VanDerWaalsContact C-N 3.34Å; S303-T305 PolarHBondContact O-N 3.36Å
304R42.2Very low44.3Very low229 Ų229164.1 Ų164.186%0.86479%0.794SS**  trans-40.2111.8155.6-101-177165.6-177.5-4.1104.7Q302 R306Q302-R304 PolarHBondContact O-N 3.46Å; R304-R306 PolarHBondContact O-N 2.83Å
305T43.1Very low44.5Very low131 Ų131162.6 Ų162.680%0.80479%0.792SS**  trans-1487.7155.436.70000110.2S303 E307S303-T305 VanDerWaalsContact C-N 3.34Å; S303-T305 PolarHBondContact O-N 3.36Å; T305-E307 PolarHBondContact O-N 2.89Å
306R42.7Very low44.9Very low235 Ų235161.9 Ų161.989%0.88780%0.799SS**  trans-69.298.2160.9-101.9-175.4169.5-172.6-1.9102R304 L308R304-R306 PolarHBondContact O-N 2.83Å; R306-L308 VanDerWaalsContact C-N 3.33Å; R306-L308 PolarHBondContact O-N 2.87Å
307E44.3Very low45Very low178 Ų178164.4 Ų164.483%0.83281%0.81SS**  trans-46.2109.4161.1-70.4-164.9159.400106.4T305 R309T305-E307 PolarHBondContact O-N 2.89Å; E307-R309 PolarHBondContact O-N 2.98Å
308L48.3Very low45.3Very low166 Ų166164.5 Ų164.587%0.86981%0.813SS**  trans-59.1106.1174.3-74.7165.2000105.1R306 K310R306-L308 VanDerWaalsContact C-N 3.33Å; R306-L308 PolarHBondContact O-N 2.87Å; L308-K310 PolarHBondContact O-N 3.17Å; L308-K310 VanDerWaalsContact O-N 3.1Å
309R48Very low45.2Very low242 Ų242170 Ų17091%0.91383%0.829SS**PPolyproline II helixtrans-50.9123.1174.5-76.5-175.6174.6151-2.4107.2E307E307-R309 PolarHBondContact O-N 2.98Å
310K52Low45.4Very low191 Ų191172.4 Ų172.483%0.8384%0.837SS**PPolyproline II helixtrans-56.4140.3175.7-72.9-179.8177.91780109L308L308-K310 PolarHBondContact O-N 3.17Å; L308-K310 VanDerWaalsContact O-N 3.1Å
311P45.3Very low45.9Very low112 Ų112176.8 Ų176.873%0.72786%0.855SS**PPolyproline II helixtrans-60.4150178.724.6-32.5000110.8
312P59.2Low46.3Very low126 Ų126182.5 Ų182.582%0.81887%0.868SS**PPolyproline II helixtrans-62146.5179.726.2-32000110.9
313K45.5Very low46.5Very low283 Ų283182 Ų182100%1.2387%0.867SS**  trans-68.90168.7-80.1-177.4175.9179.60110.9

Retrieved 313 of 313 residues in 467.4 ms (Link to these results)

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