A0A077ZGG3_TRITR Loading...

Protein ovo

AlphaFold DB , UniProt , Accession A0A077ZGG3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 350 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
1M50.9Low59.6Low212 Ų212116.8 Ų116.8100%1.04461%0.614SS**  015.70-76.3177.5173.400112
2D56.8Low60.8Low137 Ų137109.8 Ų109.873%0.73359%0.591SS**  trans-99.8-19.4-168.9-63-50.5000115.9
3Q57.1Low62Low167 Ų167110.3 Ų110.378%0.7859%0.592SS**Hα-helixtrans-74.3-36.9-179.4-84.8150.6-26.300113.4N5 Y6 D7Q3-N5 VanDerWaalsContact C-N 3.32Å; Q3-N5 PolarHBondContact O-N 2.65Å; Q3-Y6 PolarHBondContact O-N 3.19Å; Q3-D7 PolarHBondContact O-N 2.95Å
4S56.3Low63.2Low73 Ų73107.9 Ų107.951%0.5159%0.588SS.*Hα-helixtrans-67.2-31.3-179.9590000113.4Q8S4-Q8 WeakPolarHBondContact O-CG 3.24Å; S4-Q8 PolarHBondContact O-N 2.95Å; S4-Q8 VanDerWaalsContact O-N 3.14Å
5N56.3Low64.5Low103 Ų103108.5 Ų108.555%0.55159%0.59SS**Hα-helixtrans-72.4-34.5176.5-92.9-30.5000112.1Q3 A9Q3-N5 VanDerWaalsContact C-N 3.32Å; Q3-N5 PolarHBondContact O-N 2.65Å; N5-A9 WeakPolarHBondContact O-CB 3.36Å; N5-A9 PolarHBondContact O-N 3.07Å
6Y59.9Low65.5Low179 Ų179110.1 Ų110.170%0.70259%0.592SS**Hα-helixtrans-68.7-40.5176.7-169.6-95.7000111.7Q3 A9 S10Q3-Y6 PolarHBondContact O-N 3.19Å; Y6-A9 PolarHBondContact O-N 3.16Å; Y6-S10 WeakPolarHBondContact O-CB 3.44Å; Y6-S10 PolarHBondContact O-N 3.46Å; Y6-S10 PolarHBondContact O-OG 3.3Å
7D58.3Low66.7Low95 Ų95110.6 Ų110.651%0.50859%0.594SS.*Hα-helixtrans-69.1-35176.5-68.7-26.6000112.6Q3 S10 T11Q3-D7 PolarHBondContact O-N 2.95Å; D7-S10 PolarHBondContact O-OG 3.01Å; D7-S10 VanDerWaalsContact O-OG 3.05Å; D7-T11 WeakPolarHBondContact O-CB 3.18Å; D7-T11 VanDerWaalsContact O-CG2 3.27Å; D7-T11 WeakPolarHBondContact O-CG2 3.36Å; D7-T11 PolarHBondContact O-N 3.38Å; D7-T11 PolarHBondContact O-OG1 2.98Å
8Q60Low67.8Low132 Ų132108.3 Ų108.362%0.61759%0.588SS**Hα-helixtrans-68.8-37.4172.6-76.5179.9-3.100112.4S4 T11 G12S4-Q8 WeakPolarHBondContact O-CG 3.24Å; S4-Q8 PolarHBondContact O-N 2.95Å; S4-Q8 VanDerWaalsContact O-N 3.14Å; Q8-T11 WeakPolarHBondContact CA-OG1 3.29Å; Q8-T11 PolarHBondContact O-OG1 3.33Å; Q8-G12 PolarHBondContact O-N 3.47Å
9A62.5Low68.7Low56 Ų56105.4 Ų105.446%0.46358%0.579SS.*Hα-helixtrans-69.3-40175.600000112.2N5 Y6 G12 L13N5-A9 WeakPolarHBondContact O-CB 3.36Å; N5-A9 PolarHBondContact O-N 3.07Å; Y6-A9 PolarHBondContact O-N 3.16Å; A9-G12 PolarHBondContact O-N 3.13Å; A9-L13 PolarHBondContact O-N 3.1Å
10S65.3Low69.6Low52 Ų52104.3 Ų104.336%0.36457%0.572SS.*Hα-helixtrans-68.5-39.8179.173.80000112.3Y6 D7 L13 S14Y6-S10 WeakPolarHBondContact O-CB 3.44Å; Y6-S10 PolarHBondContact O-N 3.46Å; Y6-S10 PolarHBondContact O-OG 3.3Å; D7-S10 PolarHBondContact O-OG 3.01Å; D7-S10 VanDerWaalsContact O-OG 3.05Å; S10-L13 PolarHBondContact O-N 2.8Å; S10-S14 WeakPolarHBondContact O-CB 3.36Å; S10-S14 PolarHBondContact O-N 3.45Å
11T72.1Confident70.5Confident79 Ų79102 Ų10249%0.48557%0.567SS.*Hα-helixtrans-66.9-39173.550.90000112D7 Q8 S14 L15D7-T11 WeakPolarHBondContact O-CB 3.18Å; D7-T11 VanDerWaalsContact O-CG2 3.27Å; D7-T11 WeakPolarHBondContact O-CG2 3.36Å; D7-T11 PolarHBondContact O-N 3.38Å; D7-T11 PolarHBondContact O-OG1 2.98Å; Q8-T11 WeakPolarHBondContact CA-OG1 3.29Å; Q8-T11 PolarHBondContact O-OG1 3.33Å; T11-S14 PolarHBondContact O-N 3.35Å; T11-L15 WeakPolarHBondContact O-CG 3.28Å; T11-L15 PolarHBondContact O-N 3.27Å
12G73.8Confident72.3Confident32 Ų3299 Ų9933%0.3355%0.545SS..Hα-helixtrans-61.2-44.217400000113.4Q8 A9 L15 Q16Q8-G12 PolarHBondContact O-N 3.47Å; A9-G12 PolarHBondContact O-N 3.13Å; G12-L15 PolarHBondContact O-N 2.99Å; G12-Q16 WeakPolarHBondContact O-CG 3.32Å; G12-Q16 PolarHBondContact O-N 3.25Å; G12-Q16 VanDerWaalsContact O-N 3.09Å
13L77Confident73.7Confident117 Ų11798.8 Ų98.861%0.61354%0.54SS*.Hα-helixtrans-66.1-39.6175.3-77.2166.3000112.4A9 S10 Q16 L17A9-L13 PolarHBondContact O-N 3.1Å; S10-L13 PolarHBondContact O-N 2.8Å; L13-Q16 PolarHBondContact O-N 3.43Å; L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 2.86Å
14S79Confident75.2Confident76 Ų7696.3 Ų96.353%0.53153%0.528SS..Hα-helixtrans-61.6-43.9175.9-1770000112S10 T11 L17 S18S10-S14 WeakPolarHBondContact O-CB 3.36Å; S10-S14 PolarHBondContact O-N 3.45Å; T11-S14 PolarHBondContact O-N 3.35Å; S14-L17 PolarHBondContact O-N 2.92Å; S14-S18 PolarHBondContact O-N 3.02Å
15L81.6Confident76.6Confident118 Ų11895 Ų9562%0.61852%0.519SS*.Hα-helixtrans-63.6-42.5175.9-73.6168.3000111.9T11 G12 S18 A19T11-L15 WeakPolarHBondContact O-CG 3.28Å; T11-L15 PolarHBondContact O-N 3.27Å; G12-L15 PolarHBondContact O-N 2.99Å; L15-S18 PolarHBondContact O-N 3.08Å; L15-S18 PolarHBondContact O-OG 3.07Å; L15-A19 PolarHBondContact O-N 3.17Å
16Q80.4Confident78Confident133 Ų13391.8 Ų91.862%0.62150%0.503SS*.Hα-helixtrans-60.7-45.9175.8-70.4-105.3-30.300112.1G12 L13 S18 A19 I20G12-Q16 WeakPolarHBondContact O-CG 3.32Å; G12-Q16 PolarHBondContact O-N 3.25Å; G12-Q16 VanDerWaalsContact O-N 3.09Å; L13-Q16 PolarHBondContact O-N 3.43Å; Q16-S18 VanDerWaalsContact C-N 3.32Å; Q16-S18 PolarHBondContact O-N 3.19Å; Q16-A19 PolarHBondContact O-N 3.48Å; Q16-I20 WeakPolarHBondContact O-CG1 3.22Å; Q16-I20 PolarHBondContact O-N 3.15Å; Q16-I20 VanDerWaalsContact O-N 3.07Å
17L86.3Confident79.1Confident120 Ų12089 Ų8963%0.62850%0.5SS*.Hα-helixtrans-62.9-38.3177.5-73.2168.5000111.9L13 S14 I20 A21L13-L17 WeakPolarHBondContact O-CG 3.49Å; L13-L17 PolarHBondContact O-N 2.86Å; S14-L17 PolarHBondContact O-N 2.92Å; L17-I20 PolarHBondContact O-N 2.91Å; L17-A21 WeakPolarHBondContact O-CB 3.25Å; L17-A21 PolarHBondContact O-N 3.27Å
18S87.4Confident80.5Confident69 Ų6991.7 Ų91.748%0.48351%0.507SS..Hα-helixtrans-65.6-37.4176.178.50000112.8S14 L15 Q16 A21 Y22S14-S18 PolarHBondContact O-N 3.02Å; L15-S18 PolarHBondContact O-N 3.08Å; L15-S18 PolarHBondContact O-OG 3.07Å; Q16-S18 VanDerWaalsContact C-N 3.32Å; Q16-S18 PolarHBondContact O-N 3.19Å; S18-A21 PolarHBondContact O-N 3.4Å; S18-Y22 PolarHBondContact O-N 2.7Å
19A83.7Confident81.5Confident52 Ų5291.1 Ų91.143%0.4350%0.499SS..Hα-helixtrans-67-43.7176.600000111.6L15 Q16 A21 Y22 E23L15-A19 PolarHBondContact O-N 3.17Å; Q16-A19 PolarHBondContact O-N 3.48Å; A19-A21 PolarHBondContact O-N 3.22Å; A19-Y22 WeakPolarHBondContact O-CB 3.45Å; A19-Y22 PolarHBondContact O-N 3.14Å; A19-E23 PolarHBondContact O-N 3.46Å
20I87.4Confident82.3Confident83 Ų8393.9 Ų93.943%0.42650%0.502SS..Hα-helixtrans-63.3-42.5176.4-64.7166.4000110.8Q16 L17 Y22 E23 Q24Q16-I20 WeakPolarHBondContact O-CG1 3.22Å; Q16-I20 PolarHBondContact O-N 3.15Å; Q16-I20 VanDerWaalsContact O-N 3.07Å; L17-I20 PolarHBondContact O-N 2.91Å; I20-Y22 VanDerWaalsContact C-N 3.3Å; I20-Y22 PolarHBondContact O-N 2.89Å; I20-E23 PolarHBondContact O-N 3.21Å; I20-Q24 WeakPolarHBondContact O-CG 3.48Å; I20-Q24 PolarHBondContact O-N 3.4Å
21A88.1Confident82.8Confident57 Ų5794.9 Ų94.947%0.47151%0.509SS..Hα-helixtrans-61.6-39.2176.400000111.9L17 S18 A19 S25L17-A21 WeakPolarHBondContact O-CB 3.25Å; L17-A21 PolarHBondContact O-N 3.27Å; S18-A21 PolarHBondContact O-N 3.4Å; A19-A21 PolarHBondContact O-N 3.22Å; A21-S25 PolarHBondContact O-N 2.79Å
22Y88.9Confident83.1Confident150 Ų15093.8 Ų93.859%0.58851%0.505SS*.Hα-helixtrans-64.7-47.2174.8-177.4-97.3000112S18 A19 I20 Q24 S25 V26S18-Y22 PolarHBondContact O-N 2.7Å; A19-Y22 WeakPolarHBondContact O-CB 3.45Å; A19-Y22 PolarHBondContact O-N 3.14Å; I20-Y22 VanDerWaalsContact C-N 3.3Å; I20-Y22 PolarHBondContact O-N 2.89Å; Y22-Q24 VanDerWaalsContact C-N 3.33Å; Y22-Q24 PolarHBondContact O-N 3.34Å; Y22-S25 WeakPolarHBondContact O-CB 3.41Å; Y22-S25 PolarHBondContact O-N 3.13Å; Y22-S25 PolarHBondContact O-OG 3.26Å; Y22-V26 HydrophobicContact CD1-CG2 4.1Å; Y22-V26 HydrophobicContact CE1-CG2 3.69Å; Y22-V26 WeakPolarHBondContact O-CG2 3.39Å; Y22-V26 PolarHBondContact O-N 2.96Å
23E85.6Confident83Confident131 Ų13196.5 Ų96.561%0.61251%0.509SS*.Hα-helixtrans-59.5-42.2177.2-72.5-170.7165.600112.1A19 I20 S25 V26 L27A19-E23 PolarHBondContact O-N 3.46Å; I20-E23 PolarHBondContact O-N 3.21Å; E23-S25 VanDerWaalsContact C-N 3.31Å; E23-S25 PolarHBondContact O-N 3.32Å; E23-V26 PolarHBondContact O-N 3.29Å; E23-L27 WeakPolarHBondContact O-CG 3.41Å; E23-L27 PolarHBondContact O-N 3.5Å
24Q88.3Confident82.8Confident115 Ų11593.2 Ų93.254%0.53750%0.498SS..Hα-helixtrans-62.6-36.5174.3-71.8-176.5-4.800112.3I20 Y22 V26 K28I20-Q24 WeakPolarHBondContact O-CG 3.48Å; I20-Q24 PolarHBondContact O-N 3.4Å; Y22-Q24 VanDerWaalsContact C-N 3.33Å; Y22-Q24 PolarHBondContact O-N 3.34Å; Q24-V26 VanDerWaalsContact C-N 3.35Å; Q24-K28 WeakPolarHBondContact O-CG 3.3Å; Q24-K28 PolarHBondContact O-N 2.73Å
25S87.2Confident82.4Confident45 Ų4592 Ų9232%0.31549%0.493SS..Hα-helixtrans-66.1-36.2175.785.60000112.7A21 Y22 E23 R29A21-S25 PolarHBondContact O-N 2.79Å; Y22-S25 WeakPolarHBondContact O-CB 3.41Å; Y22-S25 PolarHBondContact O-N 3.13Å; Y22-S25 PolarHBondContact O-OG 3.26Å; E23-S25 VanDerWaalsContact C-N 3.31Å; E23-S25 PolarHBondContact O-N 3.32Å; S25-R29 PolarHBondContact O-N 3.5Å; S25-R29 VanDerWaalsContact O-N 3.16Å; S25-R29 PolarHBondContact O-NE 3.44Å; S25-R29 PolarHBondContact OG-NH2 3.34Å
26V86.2Confident81.9Confident36 Ų3691.8 Ų91.822%0.21849%0.492CS..Hα-helixtrans-71.7-43.5178.6172.70000110Y22 E23 Q24 K28 R29 H30Y22-V26 HydrophobicContact CD1-CG2 4.1Å; Y22-V26 HydrophobicContact CE1-CG2 3.69Å; Y22-V26 WeakPolarHBondContact O-CG2 3.39Å; Y22-V26 PolarHBondContact O-N 2.96Å; E23-V26 PolarHBondContact O-N 3.29Å; Q24-V26 VanDerWaalsContact C-N 3.35Å; V26-K28 PolarHBondContact O-N 2.87Å; V26-R29 VanDerWaalsContact CG2-NH2 3.3Å; V26-R29 PolarHBondContact O-N 3.28Å; V26-H30 PolarHBondContact O-CD2 3.02Å; V26-H30 VanDerWaalsContact O-CD2 3.26Å; V26-H30 PolarHBondContact O-N 2.77Å
27L82.8Confident81.3Confident121 Ų12193.6 Ų93.663%0.63449%0.494SS*.Hα-helixtrans-62.4-41.6175.6-72.1171.2000112.1E23 R29 H30 S31E23-L27 WeakPolarHBondContact O-CG 3.41Å; E23-L27 PolarHBondContact O-N 3.5Å; L27-R29 PolarHBondContact O-N 3.5Å; L27-H30 PolarHBondContact O-N 3.43Å; L27-S31 WeakPolarHBondContact O-CB 3.15Å; L27-S31 PolarHBondContact O-N 3.11Å; L27-S31 PolarHBondContact O-OG 3Å
28K86.6Confident80.4Confident151 Ų15194.3 Ų94.366%0.65749%0.494SS*.Hα-helixtrans-59.8-44.4173.6-77.8-178.8178.9-179.60111.7Q24 V26 S31 S32Q24-K28 WeakPolarHBondContact O-CG 3.3Å; Q24-K28 PolarHBondContact O-N 2.73Å; V26-K28 PolarHBondContact O-N 2.87Å; K28-S31 PolarHBondContact O-N 3.32Å; K28-S31 PolarHBondContact O-OG 3.41Å; K28-S32 PolarHBondContact O-N 2.77Å; K28-S32 PolarHBondContact O-OG 2.67Å
29R80.5Confident79.1Confident121 Ų12194 Ų9446%0.45750%0.495SS..Hα-helixtrans-60.7-46.5175.8-79.1-178.4-82.4148-9.8112.7S25 V26 L27 S31 S32 E33S25-R29 PolarHBondContact O-N 3.5Å; S25-R29 VanDerWaalsContact O-N 3.16Å; S25-R29 PolarHBondContact O-NE 3.44Å; S25-R29 PolarHBondContact OG-NH2 3.34Å; V26-R29 VanDerWaalsContact CG2-NH2 3.3Å; V26-R29 PolarHBondContact O-N 3.28Å; L27-R29 PolarHBondContact O-N 3.5Å; R29-S31 VanDerWaalsContact C-N 3.32Å; R29-S31 PolarHBondContact O-N 2.72Å; R29-S32 WeakPolarHBondContact CA-OG 3.3Å; R29-S32 PolarHBondContact O-N 3.17Å; R29-S32 PolarHBondContact O-OG 3.29Å; R29-E33 WeakPolarHBondContact O-CB 3.4Å; R29-E33 VanDerWaalsContact O-CG 3.32Å; R29-E33 WeakPolarHBondContact O-CG 3.46Å; R29-E33 PolarHBondContact O-N 3.37Å
30H79.2Confident77.9Confident113 Ų11394.6 Ų94.652%0.52350%0.5SS..Hα-helixtrans-64.2-35.7176.1-75.4-57.7000112.8V26 L27 E33 A34V26-H30 PolarHBondContact O-CD2 3.02Å; V26-H30 VanDerWaalsContact O-CD2 3.26Å; V26-H30 PolarHBondContact O-N 2.77Å; L27-H30 PolarHBondContact O-N 3.43Å; H30-E33 IonicContact ND1-OE2 2.89Å; H30-E33 PolarHBondContact O-N 2.82Å; H30-A34 VanDerWaalsContact O-CB 3.29Å; H30-A34 WeakPolarHBondContact O-CB 3.31Å; H30-A34 PolarHBondContact O-N 3.43Å
31S77.4Confident76.4Confident73 Ų7397.8 Ų97.851%0.5151%0.513SS..Hα-helixtrans-67.3-39.6175.674.80000112.5L27 K28 R29 A34 A35L27-S31 WeakPolarHBondContact O-CB 3.15Å; L27-S31 PolarHBondContact O-N 3.11Å; L27-S31 PolarHBondContact O-OG 3Å; K28-S31 PolarHBondContact O-N 3.32Å; K28-S31 PolarHBondContact O-OG 3.41Å; R29-S31 VanDerWaalsContact C-N 3.32Å; R29-S31 PolarHBondContact O-N 2.72Å; S31-A34 PolarHBondContact O-N 3.06Å; S31-A35 WeakPolarHBondContact O-CB 3.31Å; S31-A35 PolarHBondContact O-N 3.44Å
32S77Confident74.7Confident57 Ų5798.3 Ų98.340%0.39952%0.518SS..Hα-helixtrans-70.7-37.4175.354.30000112.3K28 R29 A35 N36K28-S32 PolarHBondContact O-N 2.77Å; K28-S32 PolarHBondContact O-OG 2.67Å; R29-S32 WeakPolarHBondContact CA-OG 3.3Å; R29-S32 PolarHBondContact O-N 3.17Å; R29-S32 PolarHBondContact O-OG 3.29Å; S32-A35 PolarHBondContact O-N 3.3Å; S32-N36 WeakPolarHBondContact O-CB 3.45Å; S32-N36 PolarHBondContact O-N 3.4Å
33E71.9Confident72.8Confident88 Ų8894 Ų9441%0.41152%0.519SS..Hα-helixtrans-66.2-40.1174.6-74.6171.8-175.200111.5R29 H30 N36 R37R29-E33 WeakPolarHBondContact O-CB 3.4Å; R29-E33 VanDerWaalsContact O-CG 3.32Å; R29-E33 WeakPolarHBondContact O-CG 3.46Å; R29-E33 PolarHBondContact O-N 3.37Å; H30-E33 IonicContact ND1-OE2 2.89Å; H30-E33 PolarHBondContact O-N 2.82Å; E33-N36 PolarHBondContact O-N 2.81Å; E33-R37 WeakPolarHBondContact O-CB 3.21Å; E33-R37 WeakPolarHBondContact O-CG 3.44Å; E33-R37 PolarHBondContact O-N 2.93Å
34A72.6Confident70.8Confident48 Ų4894.7 Ų94.740%0.39753%0.527SS..Hα-helixtrans-65-42.8174.600000111.8H30 S31 R37 Q38H30-A34 VanDerWaalsContact O-CB 3.29Å; H30-A34 WeakPolarHBondContact O-CB 3.31Å; H30-A34 PolarHBondContact O-N 3.43Å; S31-A34 PolarHBondContact O-N 3.06Å; A34-R37 PolarHBondContact O-N 2.98Å; A34-Q38 WeakPolarHBondContact O-CG 3.06Å; A34-Q38 PolarHBondContact O-N 2.75Å
35A72.1Confident68.3Low50 Ų5096.5 Ų96.541%0.41354%0.539SS..Hα-helixtrans-63.2-41.3174.500000112S31 S32 Q38 A39S31-A35 WeakPolarHBondContact O-CB 3.31Å; S31-A35 PolarHBondContact O-N 3.44Å; S32-A35 PolarHBondContact O-N 3.3Å; A35-Q38 PolarHBondContact O-N 3.2Å; A35-A39 WeakPolarHBondContact O-CB 3.45Å; A35-A39 PolarHBondContact O-N 3.43Å
36N70.8Confident65.9Low114 Ų114100.9 Ų100.961%0.6156%0.564SS**Hα-helixtrans-66.7-36.9175.8-73.5-10.7000112.4S32 E33 A39 A40S32-N36 WeakPolarHBondContact O-CB 3.45Å; S32-N36 PolarHBondContact O-N 3.4Å; E33-N36 PolarHBondContact O-N 2.81Å; N36-A39 PolarHBondContact O-N 3.43Å; N36-A40 WeakPolarHBondContact O-CB 3.48Å; N36-A40 PolarHBondContact O-N 2.82Å
37R68.4Low63.5Low172 Ų172104.1 Ų104.165%0.64959%0.588SS**Hα-helixtrans-66.1-42.9173.5-75.1-179.7-167.5171.56.3111.8E33 A34 A39 A40 E41E33-R37 WeakPolarHBondContact O-CB 3.21Å; E33-R37 WeakPolarHBondContact O-CG 3.44Å; E33-R37 PolarHBondContact O-N 2.93Å; A34-R37 PolarHBondContact O-N 2.98Å; R37-A39 VanDerWaalsContact C-N 3.31Å; R37-A39 PolarHBondContact O-N 2.96Å; R37-A40 PolarHBondContact O-N 2.9Å; R37-E41 WeakPolarHBondContact O-CG 3.19Å; R37-E41 PolarHBondContact O-N 2.8Å
38Q67.4Low61.6Low135 Ų135104.1 Ų104.163%0.63160%0.595SS**Hα-helixtrans-63.3-37.3174.2-73.9177.7-11.900112A34 A35 A42A34-Q38 WeakPolarHBondContact O-CG 3.06Å; A34-Q38 PolarHBondContact O-N 2.75Å; A35-Q38 PolarHBondContact O-N 3.2Å; Q38-A42 WeakPolarHBondContact O-CB 3.39Å; Q38-A42 PolarHBondContact O-N 2.91Å
39A59.6Low59Low62 Ų62104.5 Ų104.551%0.51260%0.603SS.*Hα-helixtrans-68.5-36.4174.200000112.6A35 N36 R37 G43A35-A39 WeakPolarHBondContact O-CB 3.45Å; A35-A39 PolarHBondContact O-N 3.43Å; N36-A39 PolarHBondContact O-N 3.43Å; R37-A39 VanDerWaalsContact C-N 3.31Å; R37-A39 PolarHBondContact O-N 2.96Å; A39-G43 PolarHBondContact O-N 3.21Å
40A58.6Low56.8Low64 Ų64104.8 Ų104.853%0.52962%0.621SS.*Hα-helixtrans-68.3-40.3174.600000112N36 R37 G43N36-A40 WeakPolarHBondContact O-CB 3.48Å; N36-A40 PolarHBondContact O-N 2.82Å; R37-A40 PolarHBondContact O-N 2.9Å; A40-G43 PolarHBondContact O-N 2.77Å
41E54.9Low54.5Low150 Ų150108.2 Ų108.270%0.70164%0.642SS**Hα-helixtrans-73-27.3176.4-70.8175.5172.400112.8R37R37-E41 WeakPolarHBondContact O-CG 3.19Å; R37-E41 PolarHBondContact O-N 2.8Å
42A53.2Low52.5Low69 Ų69108.4 Ų108.457%0.5766%0.656SS**Hα-helixtrans-83.1-20.3173.900000113.6Q38 D44Q38-A42 WeakPolarHBondContact O-CB 3.39Å; Q38-A42 PolarHBondContact O-N 2.91Å; A42-D44 VanDerWaalsContact C-N 3.34Å; A42-D44 PolarHBondContact O-N 2.97Å
43G48.3Very low50.5Low59 Ų59114.8 Ų114.861%0.60869%0.685SS**THydrogen-bonded Turntrans-74.8-16.4-179.500000115.1A39 A40A39-G43 PolarHBondContact O-N 3.21Å; A40-G43 PolarHBondContact O-N 2.77Å
44D43.2Very low48.7Very low146 Ų146114 Ų11478%0.78170%0.7SS**THydrogen-bonded Turntrans-93.211.8-178.6-80.6-31000114A42A42-D44 VanDerWaalsContact C-N 3.34Å; A42-D44 PolarHBondContact O-N 2.97Å
45L35.7Very low47.1Very low152 Ų152116.5 Ų116.580%0.79671%0.711SS**SBendtrans-137.955.8179.2-72.7175000113.9
46V37.9Very low45.2Very low137 Ų137123.7 Ų123.783%0.8373%0.728SS**  trans-146.3129.4157.5-173.50000111.7
47S36.1Very low43.7Very low104 Ų104123 Ų12373%0.72773%0.73SS**  trans-79.3-162.1-171.3-37.70000113.8
48P41.9Very low42.2Very low121 Ų121119.2 Ų119.279%0.78673%0.73SS**  cis-143.8171.28.933.2-7.4000119.3
49L31.8Very low40.6Very low159 Ų159121 Ų12183%0.83274%0.738SS**PPolyproline II helixtrans-50155.6178.9-80.274.2000116
50P34.5Very low39.4Very low127 Ų127124.2 Ų124.283%0.82576%0.756SS**PPolyproline II helixtrans-81145.3168.834.4-30.3000112.1
51L31.8Very low38.2Very low185 Ų185128.5 Ų128.597%0.96977%0.769SS**PPolyproline II helixtrans-51.2133.3-175.8-61.1157.7000114.2
52G35.8Very low37.1Very low78 Ų78130.4 Ų130.480%0.80478%0.775SS**  trans-141.5108.8166.600000110.1
53L33.4Very low36.6Very low190 Ų190131.2 Ų131.2100%0.99578%0.775SS**  trans-58.7134.4179-71.6151.2000111.7
54G35.3Very low36Very low71 Ų71137.7 Ų137.773%0.73279%0.787SS**  trans-179.286.5175.200000113.4
55T38.5Very low35.4Very low102 Ų102138.7 Ų138.763%0.62679%0.791SS**  trans-17.5114.716555.40000119.1
56Y33.1Very low35.5Very low200 Ų200137.2 Ų137.278%0.78479%0.791SS**  22.5171.512962-115.3000122.7
57P37.9Very low35.3Very low100 Ų100140.6 Ų140.665%0.64979%0.794SS**  cis-140166.7-5.437.1-16.2000117.5
58S36.8Very low35.4Very low93 Ų93142.2 Ų142.265%0.6580%0.799SS**  trans54.8150.3135.363.40000125.5
59E34.5Very low35.1Very low171 Ų171142.1 Ų142.180%0.79980%0.799SS**  trans84.5109.1167-45.5-74.6113.800113.8
60C34Very low35.3Very low130 Ų130142.6 Ų142.688%0.87880%0.801SS**  -165.815166.2-66.20000113.8
61L34.3Very low35.8Very low154 Ų154142.2 Ų142.281%0.80680%0.799SS**  trans-62.6140.3-180-121.561.4000116.6
62F31.3Very low36.2Very low190 Ų190141.4 Ų141.483%0.83380%0.795SS**  trans52.1173.4130.9-86-103.6000120.9
63P42Very low36.5Very low87 Ų87143 Ų14357%0.56579%0.791SS**  -139.4-173.5-60.939.6-20.4000112.9
64F35.2Very low37Very low194 Ų194140.1 Ų140.185%0.85178%0.783SS**  trans147.9110.6138-89-78.4000113.2
65L31.9Very low36.7Very low168 Ų168144.2 Ų144.288%0.8879%0.788SS**  trans-91.4147.4157.2-81.5162.1000109.3
66P37.1Very low36.4Very low121 Ų121146.8 Ų146.879%0.78680%0.797SS**  trans-116.2137.8150.731.9-18.9000112.5
67K34.2Very low36.5Very low208 Ų208143.1 Ų143.190%0.90480%0.795SS**  trans-69.8144.2175.9-67.5161.8174.8173.50111.4
68V37.2Very low36.3Very low137 Ų137145.5 Ų145.583%0.8380%0.802SS**  trans-133.9134.9156.2-173.80000109.3
69P37.5Very low36.2Very low120 Ų120149.9 Ų149.978%0.77981%0.812SS**PPolyproline II helixtrans-91.7147-168.615.23.3000113.4
70L35.1Very low36.3Very low168 Ų168146.6 Ų146.688%0.8881%0.806SS**PPolyproline II helixtrans-82.1136.9170.1-75.4155.9000111
71P45.2Very low36.5Very low120 Ų120146.3 Ų146.378%0.77981%0.805SS**PPolyproline II helixtrans-91.2133.1166.632.5-26.6000111.7
72L40Very low36.3Very low167 Ų167146.9 Ų146.987%0.87481%0.809SS**PPolyproline II helixtrans-70.8146170.6-74119.1000111.6
73P42.8Very low36.5Very low112 Ų112142.8 Ų142.873%0.72780%0.803SS**PPolyproline II helixtrans-84.3149.8168.233.7-30.6000111.8
74P42.5Very low35.9Very low129 Ų129146.3 Ų146.384%0.83882%0.817SS**PPolyproline II helixtrans-80.4146.7-179.532.9-31.9000112
75L30.2Very low35.7Very low158 Ų158147.9 Ų147.983%0.82782%0.817SS**PPolyproline II helixtrans-76.2159.8172.4-66.9170.3000111.6
76L30.7Very low35.8Very low156 Ų156145.7 Ų145.782%0.81781%0.813SS**  trans103.1126.3141.4-85.8160.7000120.5
77V35.4Very low36Very low122 Ų122147.9 Ų147.974%0.73982%0.816SS**  trans8694.2148-139.50000120.7
78N34.2Very low36.1Very low151 Ų151143.2 Ų143.281%0.80781%0.81SS**  8.7135.8127.1-68.2-20.5000121.4
79E35.2Very low35.9Very low184 Ų184148 Ų14886%0.8681%0.814SS**  trans108.6140.4134.9-75.8-100.1121.300119.8
80P36.4Very low35.9Very low103 Ų103145.9 Ų145.967%0.66981%0.814SS**  trans-111.1161-153.739.5-26.8000113.4
81S37.4Very low36Very low123 Ų123143.2 Ų143.286%0.8681%0.81SS**  trans-155.1143.4155.851.10000112.1
82L30.6Very low35.5Very low167 Ų167146.5 Ų146.587%0.87482%0.817SS**  trans-60144.6-175.7-66.2138.9000113.7
83S34.9Very low35.3Very low103 Ų103142.4 Ų142.472%0.7282%0.815SS**  -174.4130.9129.740.10000112.3
84L30.1Very low35Very low162 Ų162145 Ų14585%0.84882%0.822SS**  trans-62.7140.8170.9-80.181.1000111.5
85W30.3Very low34.5Very low227 Ų227151.3 Ų151.386%0.8683%0.83SS**  trans-139.6131.1148.7-72.678000109.4
86P34.2Very low34.6Very low121 Ų121147.2 Ų147.279%0.78683%0.825SS**  trans-90.5140.7172.634.4-27.8000110.2
87I41.6Very low34.7Very low167 Ų167145.2 Ų145.286%0.85682%0.824SS**  trans-122.8129.6169.6-59.8177.6000109.3
88S37.1Very low34.4Very low110 Ų110150.2 Ų150.277%0.76983%0.83SS**  trans-74.5158.3-169.3550000115.5
89Y33.7Very low34.3Very low238 Ų238154.5 Ų154.593%0.93384%0.836SS**  trans-50.9146.5172.4-82.5-99.8000115.9
90G37.5Very low33.9Very low75 Ų75153.2 Ų153.277%0.77384%0.835SS**  trans-143115.5158.500000110.9
91S36.8Very low33.6Very low113 Ų113152.1 Ų152.179%0.7983%0.83SS**  trans-37.4159.6163.8-73.10000114.2
92M33.7Very low33.2Very low188 Ų188156.7 Ų156.793%0.92684%0.835SS**  cis-176.8152.131.7-125.9153.589.400106.7
93G36.6Very low33Very low81 Ų81155 Ų15584%0.83583%0.827SS**  trans164.591.8167.200000115.3
94L35.2Very low32.9Very low168 Ų168158.4 Ų158.488%0.8883%0.833SS**  trans-59.6142.9177.6-72.2141.9000113.7
95W33.6Very low33.1Very low261 Ų261155.5 Ų155.599%0.98982%0.823SS**  trans161.4115.4146.8-93.943.7000103.8
96G31.1Very low33Very low71 Ų71152.4 Ų152.473%0.73282%0.823SS**  cis129.3113.445.400000106.3
97S33.9Very low32.9Very low114 Ų114151 Ų15180%0.79781%0.814SS**  trans84.397.8163.6-61.70000120.9
98R28.9Very low32.3Very low227 Ų227152.6 Ų152.686%0.85782%0.815SS**  51.1100.5127.4-61.1-176-169.8-1713.2117.7
99Y30.6Very low32Very low241 Ų241152.5 Ų152.595%0.94582%0.815SS**  -166.597.5121.3-90.2-71000108.8
100N27.8Very low32.2Very low157 Ų157151.1 Ų151.184%0.8481%0.809SS**  trans-76.5143.9159.6-128.8-4.5000106.5
101S30.7Very low32.3Very low81 Ų81153 Ų15357%0.56680%0.802SS**  cis-161.61342-50.70000105.5
102F29.4Very low32.5Very low219 Ų219153.9 Ų153.996%0.96180%0.797SS**  trans-153.4100.1142.1-112.4-77.4000107.8
103N25.4Very low32.6Very low132 Ų132148.3 Ų148.371%0.70678%0.78SS**  trans-71.4127.9174.4-167-5.9000108.5
104M33Very low32.8Very low173 Ų173147.5 Ų147.585%0.85277%0.766SS**  trans-163.984.9141.9-81.3-119.6101.500107
105T33.5Very low32.8Very low102 Ų102145.6 Ų145.663%0.62675%0.754SS**  trans25.5107.3133.751.30000119
106N27.9Very low33.1Very low161 Ų161139.9 Ų139.986%0.86174%0.738SS**  trans72.3146.1132.9-103-1.3000121.6
107P33.6Very low33.5Very low92 Ų92140.2 Ų140.260%0.59773%0.734SS**  -135.5179.5-119.328.7-3000113.1
108F28Very low33.8Very low200 Ų200142.9 Ų142.988%0.87773%0.727SS**  trans40.588.1154.4-78.4-77.5000118.3
109S30.8Very low34.5Very low109 Ų109140.2 Ų140.276%0.76272%0.724SS**  trans-133.462.2152.7165.50000108.5
110Y38.6Very low34.8Very low209 Ų209136 Ų13682%0.8272%0.716SS**  trans-97.4105163.8-83.3-75.4000108L112Y110-L112 PolarHBondContact O-N 3.44Å
111N38.9Very low35.1Very low115 Ų115137.6 Ų137.662%0.61572%0.716SS**  trans-19.2111.6173.5-77.4-57.3000114.2A113 A114N111-A113 HydrophobicContact CB-CB 4.41Å; N111-A113 PolarHBondContact O-N 3.02Å; N111-A113 VanDerWaalsContact O-N 3.12Å; N111-A114 HydrophobicContact CB-CB 4.33Å; N111-A114 WeakPolarHBondContact O-CB 3.01Å; N111-A114 PolarHBondContact O-N 2.81Å
112L40.5Very low35Very low131 Ų131142.9 Ų142.969%0.68673%0.732SS**THydrogen-bonded Turntrans-51.8-28.1164.3-169.264.9000111.4Y110 A114 M115 Q116Y110-L112 PolarHBondContact O-N 3.44Å; L112-A114 VanDerWaalsContact C-N 3.28Å; L112-A114 PolarHBondContact O-N 2.99Å; L112-M115 PolarHBondContact O-N 2.82Å; L112-Q116 PolarHBondContact O-N 2.89Å
113A37.2Very low35.5Very low71 Ų71137.2 Ų137.259%0.58772%0.715SS**Hα-helixtrans-64.7-22.4173.200000114.6N111N111-A113 HydrophobicContact CB-CB 4.41Å; N111-A113 PolarHBondContact O-N 3.02Å; N111-A113 VanDerWaalsContact O-N 3.12Å
114A40.4Very low35.8Very low64 Ų64139.3 Ų139.353%0.52972%0.721SS.*Hα-helixtrans-88.1-12.6176.800000113.3N111 L112N111-A114 HydrophobicContact CB-CB 4.33Å; N111-A114 WeakPolarHBondContact O-CB 3.01Å; N111-A114 PolarHBondContact O-N 2.81Å; L112-A114 VanDerWaalsContact C-N 3.28Å; L112-A114 PolarHBondContact O-N 2.99Å
115M35.8Very low35.8Very low127 Ų127139.1 Ų139.163%0.62672%0.718SS**Hα-helixtrans-87.3-30.9174.2-75-173.6170.300112.4L112 A117 R118L112-M115 PolarHBondContact O-N 2.82Å; M115-A117 VanDerWaalsContact C-N 3.3Å; M115-A117 PolarHBondContact O-N 3.45Å; M115-R118 PolarHBondContact O-N 3.01Å
116Q40Very low35.6Very low142 Ų142139.6 Ų139.666%0.66472%0.723SS**Hα-helixtrans-70.4-22.7-179.5-73.5174.5-31.100113.8L112 R118L112-Q116 PolarHBondContact O-N 2.89Å; Q116-R118 PolarHBondContact O-N 3.29Å
117A38.9Very low35.9Very low78 Ų78138.7 Ų138.765%0.64572%0.723SS**G310 helixtrans-75.1-4.6175.200000114.2M115M115-A117 VanDerWaalsContact C-N 3.3Å; M115-A117 PolarHBondContact O-N 3.45Å
118R40.4Very low35.7Very low169 Ų169140.9 Ų140.964%0.63873%0.729SS**G310 helixtrans-89.1-0.6-177.5-68.2-174.5172.9175.2-2.3114.7M115 Q116M115-R118 PolarHBondContact O-N 3.01Å; Q116-R118 PolarHBondContact O-N 3.29Å
119H43.1Very low35.7Very low172 Ų172136.5 Ų136.580%0.79672%0.72SS**G310 helixtrans-97.23.6-179.1-112.1-80.4000114.7
120L36.8Very low35.6Very low151 Ų151138.3 Ų138.379%0.79172%0.72SS**SBendtrans-12416.3-170.9-69.3176.1000115.6
121F33.7Very low35.1Very low191 Ų191135 Ų13584%0.83872%0.717SS**  trans-128.563.8172.6-113.4-91.5000111.1V123F121-V123 HydrophobicContact CD1-CG2 4.2Å; F121-V123 HydrophobicContact CE1-CG2 4.3Å; F121-V123 PolarHBondContact O-N 3.08Å
122E30Very low34.5Very low192 Ų192137.1 Ų137.190%0.89773%0.729SS**  trans-8783.2161.8-166.6159.8-16200107.2
123V38.5Very low34.2Very low101 Ų101137 Ų13761%0.61273%0.733SS**  trans-131.4122.1170.5-176.90000107.9F121 Q125F121-V123 HydrophobicContact CD1-CG2 4.2Å; F121-V123 HydrophobicContact CE1-CG2 4.3Å; F121-V123 PolarHBondContact O-N 3.08Å; V123-Q125 PolarHBondContact O-N 2.92Å
124Q32.1Very low33.8Very low175 Ų175136.9 Ų136.982%0.81874%0.738SS**  trans-29.2117.6-174-77.7101.4-2700116.7
125Q32.9Very low33.3Very low169 Ų169142.4 Ų142.479%0.7975%0.753SS**  trans-133.6119.1149.8-69.3-98.9-60.200108.1V123 V127V123-Q125 PolarHBondContact O-N 2.92Å; Q125-V127 PolarHBondContact O-N 3.34Å
126P29.9Very low33Very low113 Ų113144.6 Ų144.673%0.73477%0.766SS**  trans-65.3117.917925.2-31.2000110L128P126-L128 PolarHBondContact O-N 3.1Å
127V32.9Very low32.5Very low141 Ų141141.4 Ų141.486%0.85577%0.771SS**  trans-71.993.1169.8-168.60000107Q125 P129Q125-V127 PolarHBondContact O-N 3.34Å; V127-P129 WeakPolarHBondContact O-CD 3.21Å
128L30.3Very low32.1Very low139 Ų139147.4 Ų147.473%0.72878%0.783SS**  trans-76.4119.8170.3-72.3177.1000109.2P126 L130P126-L128 PolarHBondContact O-N 3.1Å; L128-L130 PolarHBondContact O-N 2.92Å; L128-L130 VanDerWaalsContact O-N 3.17Å
129P27Very low31.6Very low107 Ų107148.7 Ų148.770%0.69579%0.793SS**  trans-77.4102174.630.9-29.3000108.6V127 N131V127-P129 WeakPolarHBondContact O-CD 3.21Å; P129-N131 VanDerWaalsContact C-N 3.26Å; P129-N131 PolarHBondContact O-N 3.46Å
130L29.5Very low31Very low147 Ų147147.5 Ų147.577%0.7780%0.798SS**  trans-9164.9167.9-70.4176.8000110L128L128-L130 PolarHBondContact O-N 2.92Å; L128-L130 VanDerWaalsContact O-N 3.17Å
131N27.1Very low30.9Very low140 Ų140147.8 Ų147.875%0.74980%0.795SS**  trans-121.4125.6162.1-72.4-20000107P129P129-N131 VanDerWaalsContact C-N 3.26Å; P129-N131 PolarHBondContact O-N 3.46Å
132N28.2Very low31Very low160 Ų160148 Ų14886%0.85680%0.796SS**  trans75.381.5174.6-52.7-20.3000116.6
133V34Very low31.3Very low128 Ų128146.9 Ų146.978%0.77679%0.79SS**  trans-121.180.7148.7-170.10000107.6
134G28.1Very low31.1Very low68 Ų68147.9 Ų147.970%0.70179%0.791SS**  trans-67.7142.5152.100000108.3
135H29.2Very low31.5Very low181 Ų181143.9 Ų143.984%0.83878%0.779SS**  trans58.7105.3174-75.2-28.1000116.8
136L30.1Very low31.9Very low173 Ų173139.5 Ų139.591%0.90677%0.765SS**  -171.3123.3125.9-97.2161.4000109.9
137G28.9Very low32Very low74 Ų74140.8 Ų140.876%0.76376%0.759SS**  trans68.9100.1138.300000119
138K31.4Very low32.5Very low205 Ų205138 Ų13889%0.89174%0.737SS**SBendtrans-39.6140.8161.1-62.3164.5179.4176.10113.2
139K29.9Very low33.2Very low195 Ų195134.5 Ų134.585%0.84872%0.719SS**SBendtrans96.589.7166.1-56.9172.2178.8177.90115.6
140T31Very low34.2Very low148 Ų148131.9 Ų131.991%0.90871%0.707SS**  trans16257.214142.70000112.7
141E33.5Very low35.1Very low157 Ų157129.4 Ų129.473%0.73469%0.694SS**  trans-949-171.2-135.5-172155.900115.7K254E141-K254 IonicContact OE1-NZ 2.68Å; E141-K254 PolarHBondContact OE1-NZ 2.98Å
142K37Very low36.1Very low196 Ų196123.6 Ų123.685%0.85266%0.662SS**SBendtrans-100.9-8-171.4-65.7-174.7-178.5179.30116.4
143H35.8Very low37.1Very low167 Ų167120 Ų12077%0.77364%0.643SS**SBendtrans-111.1-0.3-173.5-96.9-90.3000115.9P146H143-P146 WeakPolarHBondContact O-CD 3.34Å
144L35.1Very low37.6Very low122 Ų122116.4 Ų116.464%0.63962%0.624SS**Hα-helixtrans-88.5-23.2-174.1-148.472.9000114.3
145V39.9Very low38.4Very low91 Ų91120.4 Ų120.455%0.55262%0.618SS**Hα-helixtrans-70.9-40.6-179-168.70000113.4F147 D149V145-F147 VanDerWaalsContact C-N 3.3Å; V145-F147 PolarHBondContact O-N 2.95Å; V145-D149 PolarHBondContact O-N 3.49Å
146P42.1Very low39.1Very low77 Ų77114 Ų11450%0.559%0.589SS.*Hα-helixtrans-62.9-33.7178.4-21.532.9000113.4H143 A150H143-P146 WeakPolarHBondContact O-CD 3.34Å; P146-A150 WeakPolarHBondContact O-CB 3.44Å; P146-A150 PolarHBondContact O-N 3.05Å
147F30.3Very low39.3Very low141 Ų141112.6 Ų112.662%0.61858%0.578SS**Hα-helixtrans-72.5-39.1-176.1-163.7-97.7000112.4V145 A150 L151V145-F147 VanDerWaalsContact C-N 3.3Å; V145-F147 PolarHBondContact O-N 2.95Å; F147-A150 PolarHBondContact O-N 3.36Å; F147-L151 HydrophobicContact CD1-CD1 3.97Å; F147-L151 HydrophobicContact CE1-CD1 3.84Å; F147-L151 HydrophobicContact CE1-CG 4.37Å; F147-L151 WeakPolarHBondContact O-CG 3.29Å; F147-L151 PolarHBondContact O-N 2.87Å
148Q43.6Very low39.5Very low82 Ų82117.6 Ų117.638%0.38357%0.574SS.*Hα-helixtrans-75-34.8177.4-76.1162.3-7.200112.3L151 L152Q148-L151 PolarHBondContact O-N 3.24Å; Q148-L152 WeakPolarHBondContact O-CD1 3.44Å; Q148-L152 PolarHBondContact O-N 3.26Å
149D45.3Very low39.5Very low65 Ų65112.7 Ų112.735%0.34856%0.561SS.*Hα-helixtrans-68.7-35170.3-89.2-36.5000111.8V145 L152 N153 K241V145-D149 PolarHBondContact O-N 3.49Å; D149-L152 PolarHBondContact O-N 2.82Å; D149-N153 VanDerWaalsContact O-CB 3.24Å; D149-N153 WeakPolarHBondContact O-CB 3.21Å; D149-N153 PolarHBondContact O-N 2.93Å; D149-N153 PolarHBondContact O-ND2 2.75Å; D149-N153 VanDerWaalsContact O-ND2 3.16Å; D149-K241 IonicContact OD1-NZ 3.42Å
150A48.7Very low39.5Very low53 Ų53109.4 Ų109.444%0.43855%0.552SS.*Hα-helixtrans-63-44.9171.400000111.4P146 F147 L152 N153 S154P146-A150 WeakPolarHBondContact O-CB 3.44Å; P146-A150 PolarHBondContact O-N 3.05Å; F147-A150 PolarHBondContact O-N 3.36Å; A150-L152 PolarHBondContact O-N 3.07Å; A150-N153 PolarHBondContact O-N 3.45Å; A150-S154 VanDerWaalsContact O-CB 3.3Å; A150-S154 WeakPolarHBondContact O-CB 3.37Å; A150-S154 PolarHBondContact O-N 2.9Å; A150-S154 PolarHBondContact O-OG 3.39Å
151L48.7Very low39.3Very low95 Ų95105.1 Ų105.150%0.49754%0.538SS..Hα-helixtrans-63.9-37.8173.7-76.2171.1000113.1F147 Q148 S154 R155F147-L151 HydrophobicContact CD1-CD1 3.97Å; F147-L151 HydrophobicContact CE1-CD1 3.84Å; F147-L151 HydrophobicContact CE1-CG 4.37Å; F147-L151 WeakPolarHBondContact O-CG 3.29Å; F147-L151 PolarHBondContact O-N 2.87Å; Q148-L151 PolarHBondContact O-N 3.24Å; L151-S154 WeakPolarHBondContact CA-OG 3.25Å; L151-S154 PolarHBondContact O-OG 3.06Å; L151-R155 WeakPolarHBondContact O-CB 3.31Å; L151-R155 PolarHBondContact O-N 3.45Å; L151-R155 VanDerWaalsContact O-N 3.1Å
152L48.5Very low39Very low17 Ų17101 Ų1019%0.08954%0.538CS..Hα-helixtrans-66.6-41.4173.6-104.186.8000111.2Q148 D149 A150 I156 K241 R245 V250Q148-L152 WeakPolarHBondContact O-CD1 3.44Å; Q148-L152 PolarHBondContact O-N 3.26Å; D149-L152 PolarHBondContact O-N 2.82Å; A150-L152 PolarHBondContact O-N 3.07Å; L152-I156 WeakPolarHBondContact O-CB 3.47Å; L152-I156 WeakPolarHBondContact O-CD1 3.36Å; L152-I156 WeakPolarHBondContact O-CG1 3.39Å; L152-I156 PolarHBondContact O-N 2.82Å; L152-I156 VanDerWaalsContact O-N 3.09Å; L152-K241 HydrophobicContact CD2-CG 4.01Å; L152-R245 HydrophobicContact CD2-CG 4.44Å; L152-V250 HydrophobicContact CD1-CG2 4.42Å
153N48.7Very low38.5Very low84 Ų84102.4 Ų102.445%0.44954%0.539SS..Hα-helixtrans-75.4-38.7-177.2-68.6-21.4000112D149 A150 R155 I156 E157 K241D149-N153 VanDerWaalsContact O-CB 3.24Å; D149-N153 WeakPolarHBondContact O-CB 3.21Å; D149-N153 PolarHBondContact O-N 2.93Å; D149-N153 PolarHBondContact O-ND2 2.75Å; D149-N153 VanDerWaalsContact O-ND2 3.16Å; A150-N153 PolarHBondContact O-N 3.45Å; N153-R155 VanDerWaalsContact C-N 3.32Å; N153-I156 CarbonylContact O-C 3.39Å; N153-I156 PolarHBondContact O-N 3.13Å; N153-I156 VanDerWaalsContact O-N 3.15Å; N153-E157 PolarHBondContact O-N 3.21Å; N153-E157 VanDerWaalsContact O-N 3.11Å; N153-K241 PolarHBondContact OD1-NZ 3.07Å
154S43.9Very low38.2Very low53 Ų5397.2 Ų97.237%0.37153%0.531SS..Hα-helixtrans-66.3-35173.965.30000111.4A150 L151 I156 E157A150-S154 VanDerWaalsContact O-CB 3.3Å; A150-S154 WeakPolarHBondContact O-CB 3.37Å; A150-S154 PolarHBondContact O-N 2.9Å; A150-S154 PolarHBondContact O-OG 3.39Å; L151-S154 WeakPolarHBondContact CA-OG 3.25Å; L151-S154 PolarHBondContact O-OG 3.06Å; S154-I156 VanDerWaalsContact C-N 3.29Å; S154-I156 PolarHBondContact O-N 3.24Å; S154-E157 WeakPolarHBondContact O-CB 3.41Å; S154-E157 VanDerWaalsContact O-CG 3.32Å; S154-E157 WeakPolarHBondContact O-CG 3.21Å; S154-E157 PolarHBondContact O-N 3.31Å
155R45.7Very low38.2Very low153 Ų15399.6 Ų99.658%0.57754%0.543SS*.THydrogen-bonded Turntrans-78.5-12.9173.7-159.2164.7-164.2170.83.6114.1L151 N153L151-R155 WeakPolarHBondContact O-CB 3.31Å; L151-R155 PolarHBondContact O-N 3.45Å; L151-R155 VanDerWaalsContact O-N 3.1Å; N153-R155 VanDerWaalsContact C-N 3.32Å
156I43.6Very low37.8Very low46 Ų46103.8 Ų103.824%0.23655%0.554CS.*THydrogen-bonded Turntrans-96.85.9171-66.6164.1000110.1L152 N153 S154 W158 K241L152-I156 WeakPolarHBondContact O-CB 3.47Å; L152-I156 WeakPolarHBondContact O-CD1 3.36Å; L152-I156 WeakPolarHBondContact O-CG1 3.39Å; L152-I156 PolarHBondContact O-N 2.82Å; L152-I156 VanDerWaalsContact O-N 3.09Å; N153-I156 CarbonylContact O-C 3.39Å; N153-I156 PolarHBondContact O-N 3.13Å; N153-I156 VanDerWaalsContact O-N 3.15Å; S154-I156 VanDerWaalsContact C-N 3.29Å; S154-I156 PolarHBondContact O-N 3.24Å; I156-W158 PolarHBondContact O-N 2.95Å; I156-W158 VanDerWaalsContact O-N 3.16Å; I156-K241 HydrophobicContact CD1-CB 3.89Å; I156-K241 HydrophobicContact CD1-CD 3.91Å; I156-K241 HydrophobicContact CD1-CG 3.72Å
157E34Very low37.4Very low143 Ų143104.8 Ų104.867%0.66856%0.555SS**  trans-54.2127174.7-82.3174.9-160.700110.3N153 S154 V159N153-E157 PolarHBondContact O-N 3.21Å; N153-E157 VanDerWaalsContact O-N 3.11Å; S154-E157 WeakPolarHBondContact O-CB 3.41Å; S154-E157 VanDerWaalsContact O-CG 3.32Å; S154-E157 WeakPolarHBondContact O-CG 3.21Å; S154-E157 PolarHBondContact O-N 3.31Å; E157-V159 PolarHBondContact O-N 3.23Å
158W32.4Very low37.9Very low180 Ų180103.6 Ų103.668%0.68256%0.561SS**  trans-53.1128179.3-83.366.6000109.2I156 N160I156-W158 PolarHBondContact O-N 2.95Å; I156-W158 VanDerWaalsContact O-N 3.16Å; W158-N160 HydrophobicContact CB-CB 4.13Å; W158-N160 HydrophobicContact CE3-CB 4.4Å; W158-N160 VanDerWaalsContact CZ3-ND2 3.29Å; W158-N160 WeakPolarHBondContact CZ3-ND2 3.35Å; W158-N160 PolarHBondContact O-N 2.93Å
159V32.4Very low37.6Very low102 Ų102107 Ų10762%0.61858%0.581SS**  trans-71.560.1154.7-166.60000107.9E157 G161E157-V159 PolarHBondContact O-N 3.23Å; V159-G161 VanDerWaalsContact C-N 3.26Å
160N28.5Very low37.3Very low125 Ų125106 Ų10667%0.66858%0.578SS**  trans-95.766.7156.1-81.4-16.2000105.6W158W158-N160 HydrophobicContact CB-CB 4.13Å; W158-N160 HydrophobicContact CE3-CB 4.4Å; W158-N160 VanDerWaalsContact CZ3-ND2 3.29Å; W158-N160 WeakPolarHBondContact CZ3-ND2 3.35Å; W158-N160 PolarHBondContact O-N 2.93Å
161G27.8Very low36.5Very low59 Ų59110.5 Ų110.561%0.60859%0.594SS**SBendtrans162.6108.4-175.200000111.2V159 Y163V159-G161 VanDerWaalsContact C-N 3.26Å; G161-Y163 PolarHBondContact O-N 3.13Å
162G27.6Very low36.2Very low71 Ų71114.3 Ų114.373%0.73260%0.603SS**SBendtrans97.4-71.8150.800000117.3
163Y25.5Very low35.6Very low224 Ų224116 Ų11688%0.87863%0.625SS**  trans-146.9102-162-75.1-89.1000112.7G161G161-Y163 PolarHBondContact O-N 3.13Å
164G31Very low35.1Very low59 Ų59119.7 Ų119.761%0.60864%0.644SS**SBendtrans-168.7114.517200000107.8K166G164-K166 PolarHBondContact O-N 3.35Å
165I34.4Very low34.8Very low172 Ų172120.8 Ų120.888%0.88265%0.646SS**  trans-34102.3-176.6-57.7162.6000110.2N167I165-N167 PolarHBondContact O-N 3.32Å
166K31Very low34.1Very low179 Ų179119.7 Ų119.778%0.77866%0.658SS**  trans-57.2118.1165.3-71.4-179-179.1178.40104.6G164 P168G164-K166 PolarHBondContact O-N 3.35Å; K166-P168 WeakPolarHBondContact O-CD 3.45Å; K166-P168 WeakPolarHBondContact O-CG 3.41Å; K166-P168 VanDerWaalsContact O-N 3.09Å
167N34.1Very low33.7Very low97 Ų97123 Ų12352%0.51968%0.681SS.*  trans-65.7111.1169.1-158.7-6000105.9I165 L169 V170I165-N167 PolarHBondContact O-N 3.32Å; N167-L169 PolarHBondContact O-N 2.79Å; N167-V170 HydrophobicContact CB-CG2 4.47Å
168P40.2Very low33.7Very low117 Ų117121.9 Ų121.976%0.7669%0.689SS**THydrogen-bonded Turntrans-69.9-0.4-169.1-1732.3000113.5K166K166-P168 WeakPolarHBondContact O-CD 3.45Å; K166-P168 WeakPolarHBondContact O-CG 3.41Å; K166-P168 VanDerWaalsContact O-N 3.09Å
169L36.8Very low33.8Very low153 Ų153118 Ų11880%0.80169%0.689SS**THydrogen-bonded Turntrans-95.512.6-174.1-60.4178000114.2N167N167-L169 PolarHBondContact O-N 2.79Å
170V39.2Very low33.7Very low45 Ų45124.1 Ų124.127%0.27370%0.703SS.*  trans-98.3101-176.4-171.60000110.9N167 Y172 I222N167-V170 HydrophobicContact CB-CG2 4.47Å; V170-Y172 HydrophobicContact CB-CE2 4.15Å; V170-Y172 HydrophobicContact CG1-CD1 4.26Å; V170-Y172 HydrophobicContact CG1-CD2 4.31Å; V170-Y172 HydrophobicContact CG1-CE1 4.12Å; V170-Y172 HydrophobicContact CG1-CE2 4.16Å; V170-Y172 HydrophobicContact CG1-CG 4.35Å; V170-Y172 WeakPolarHBondContact O-CD2 3.19Å; V170-Y172 WeakPolarHBondContact O-CE2 3.49Å; V170-Y172 PolarHBondContact O-N 3.22Å; V170-I222 HydrophobicContact CG2-CD1 4.45Å
171N33.4Very low33.8Very low146 Ų146120.9 Ų120.978%0.78170%0.699SS**  trans-74.5105.4162.1-166.8-16.5000108.3G173N171-G173 PolarHBondContact O-N 3.43Å; N171-G173 VanDerWaalsContact O-N 3.1Å; N171-G173 PolarHBondContact OD1-N 3.41Å
172Y41.9Very low33.9Very low175 Ų175126.9 Ų126.969%0.68671%0.711SS**  trans-70.22.9-176.6-71-88.7000114.1V170 N174V170-Y172 HydrophobicContact CB-CE2 4.15Å; V170-Y172 HydrophobicContact CG1-CD1 4.26Å; V170-Y172 HydrophobicContact CG1-CD2 4.31Å; V170-Y172 HydrophobicContact CG1-CE1 4.12Å; V170-Y172 HydrophobicContact CG1-CE2 4.16Å; V170-Y172 HydrophobicContact CG1-CG 4.35Å; V170-Y172 WeakPolarHBondContact O-CD2 3.19Å; V170-Y172 WeakPolarHBondContact O-CE2 3.49Å; V170-Y172 PolarHBondContact O-N 3.22Å; Y172-N174 PolarHBondContact O-N 3.44Å
173G35.8Very low34.2Very low53 Ų53130 Ų13055%0.54672%0.716SS.*THydrogen-bonded Turntrans-76.73.8-167.400000118.3N171N171-G173 PolarHBondContact O-N 3.43Å; N171-G173 VanDerWaalsContact O-N 3.1Å; N171-G173 PolarHBondContact OD1-N 3.41Å
174N37.4Very low34.6Very low161 Ų161124.4 Ų124.486%0.86171%0.71SS**THydrogen-bonded Turntrans-145.318.9-175.6-83.4-51.7000115.9Y172Y172-N174 PolarHBondContact O-N 3.44Å
175L38.6Very low34.7Very low77 Ų77126.3 Ų126.340%0.40372%0.72SS.*SBendtrans-84135.8165.6-89.980.3000109T177 R224L175-T177 PolarHBondContact O-N 3.41Å; L175-R224 VanDerWaalsContact CD2-NH2 3.34Å
176P30.7Very low34.8Very low129 Ų129127 Ų12784%0.83872%0.72SS**  trans-67.284158.828.5-29.1000106.7S178P176-S178 PolarHBondContact O-N 2.85Å
177T35.5Very low35Very low115 Ų115127.9 Ų127.971%0.70673%0.726SS**  trans-57.3121.616239.20000105.8L175 S179L175-T177 PolarHBondContact O-N 3.41Å; T177-S179 PolarHBondContact O-N 3.22Å
178S33.8Very low35.2Very low120 Ų120129 Ų12984%0.83974%0.742SS**  trans-52.180.8169.7168.80000109.9P176 Y180P176-S178 PolarHBondContact O-N 2.85Å; S178-Y180 PolarHBondContact O-N 2.68Å
179S33.8Very low34.8Very low99 Ų99127.4 Ų127.469%0.69275%0.747SS**  trans-72.1118.9157.5560000105.5T177 G181T177-S179 PolarHBondContact O-N 3.22Å; S179-G181 PolarHBondContact O-N 3.41Å
180Y30.8Very low34.9Very low231 Ų231124.4 Ų124.491%0.90674%0.744SS**  trans-53.782.7161.1-146.3-99.3000107.5S178 Q182S178-Y180 PolarHBondContact O-N 2.68Å; Y180-Q182 PolarHBondContact O-N 3.42Å
181G30.2Very low34.7Very low56 Ų56131.3 Ų131.358%0.57777%0.773SS**  trans-86.2107.1178.900000107.4S179 T183S179-G181 PolarHBondContact O-N 3.41Å; G181-T183 PolarHBondContact O-N 3.23Å; G181-T183 VanDerWaalsContact O-N 3.14Å
182Q29.7Very low35Very low185 Ų185129.6 Ų129.686%0.86478%0.779SS**  trans-44.4114.2173.5-63.2157.25.500110Y180Y180-Q182 PolarHBondContact O-N 3.42Å
183T35.1Very low35.2Very low136 Ų136128.9 Ų128.983%0.83478%0.782SS**  trans-117.310315758.60000106.4G181G181-T183 PolarHBondContact O-N 3.23Å; G181-T183 VanDerWaalsContact O-N 3.14Å
184S34.3Very low36Very low108 Ų108130 Ų13076%0.75579%0.794SS**  trans-40.2133170.3-37.80000110.6E186S184-E186 PolarHBondContact O-N 3.35Å
185A32.2Very low37.3Very low99 Ų99128.8 Ų128.882%0.81878%0.783SS**  trans-57.8120.5166.200000109.1
186E37.2Very low39.3Very low187 Ų187130.6 Ų130.687%0.87479%0.789SS**  trans-153.1128156.5-110.4163.6-178.200109.3S184S184-E186 PolarHBondContact O-N 3.35Å
187Q34.1Very low41.5Very low197 Ų197128.4 Ų128.492%0.92177%0.765SS**  trans-77.1128.3-171.2-62.4163.6-11.600109.7
188S39.6Very low43.7Very low120 Ų120125.8 Ų125.884%0.83975%0.75SS**  trans-160.7128.3148.947.10000109.3
189G31.9Very low45.9Very low84 Ų84120.3 Ų120.387%0.86671%0.711SS**  trans-69.5138176.900000111.1
190A38.8Very low48Very low90 Ų90123.8 Ų123.874%0.74472%0.717SS**  trans-161.6106.1160.700000108.3
191E33.6Very low50.2Low190 Ų190117.7 Ų117.789%0.88870%0.703SS**  trans40.9128.2134.7-59-178.7160.600120.2E193E191-E193 PolarHBondContact O-N 3.48Å
192A40.1Very low52.5Low110 Ų110117.3 Ų117.391%0.90969%0.691SS**  trans-64.495.3-178.400000113.3
193E45.5Very low54.8Low159 Ų159117 Ų11774%0.74369%0.687SS**  trans-107.1117.3156.4-64.3-143.8154.700110.1E191 H195E191-E193 PolarHBondContact O-N 3.48Å; E193-H195 PolarHBondContact O-CD2 3.16Å; E193-H195 PolarHBondContact O-N 2.91Å
194G53.3Low56.9Low77 Ų77116.5 Ų116.579%0.79467%0.673SS**  trans-67.992.2-177.800000111.7E196G194-E196 PolarHBondContact O-N 3.25Å
195H65.1Low59.3Low136 Ų136117.8 Ų117.863%0.6367%0.665SS**  trans-62.8103174.6-67.3-68.5000111.3E193 Y197E193-H195 PolarHBondContact O-CD2 3.16Å; E193-H195 PolarHBondContact O-N 2.91Å; H195-Y197 HydrophobicContact CB-CE2 4.34Å; H195-Y197 WeakPolarHBondContact O-CD2 3.48Å; H195-Y197 WeakPolarHBondContact O-CE2 3.48Å
196E79.5Confident61.7Low114 Ų114115 Ų11553%0.53364%0.635SS.*  trans-78.7133.1166.5-59.5-174138.500109.5G194 P198 K205G194-E196 PolarHBondContact O-N 3.25Å; E196-P198 WeakPolarHBondContact O-CD 3.48Å; E196-K205 HydrophobicContact CB-CB 4.49Å; E196-K205 HydrophobicContact CB-CD 4.35Å; E196-K205 WeakPolarHBondContact OE2-CD 3.31Å; E196-K205 WeakPolarHBondContact OE2-CE 3.03Å; E196-K205 IonicContact OE2-NZ 3.33Å; E196-K205 PolarHBondContact OE2-NZ 3.25Å
197Y77.4Confident63.8Low83 Ų83110.6 Ų110.633%0.32562%0.623SS.*EExtended strand (participates in β ladder)trans-102.9100.1178.7-63.5-84.3000109.9H195 F206 L208 Q209H195-Y197 HydrophobicContact CB-CE2 4.34Å; H195-Y197 WeakPolarHBondContact O-CD2 3.48Å; H195-Y197 WeakPolarHBondContact O-CE2 3.48Å; Y197-F206 PolarHBondContact N-O 3.28Å; Y197-F206 PolarHBondContact O-N 2.89Å; Y197-L208 VanDerWaalsContact CD2-C 3.43Å; Y197-Q209 HydrophobicContact CD1-CB 3.97Å; Y197-Q209 HydrophobicContact CD1-CG 4.36Å; Y197-Q209 HydrophobicContact CD2-CB 4.27Å; Y197-Q209 HydrophobicContact CE1-CB 3.76Å; Y197-Q209 HydrophobicContact CE1-CG 4.26Å; Y197-Q209 HydrophobicContact CE2-CB 4.11Å; Y197-Q209 HydrophobicContact CG-CB 4.18Å; Y197-Q209 VanDerWaalsContact CG-OE1 3.32Å
198P81.8Confident66.1Low60 Ų60104.8 Ų104.839%0.3960%0.597SS.*EExtended strand (participates in β ladder)trans-79.3140.7179.631.6-34.8000112E196 K204 K205 L212E196-P198 WeakPolarHBondContact O-CD 3.48Å; P198-K204 CarbonylContact C-O 3.5Å; P198-K204 WeakPolarHBondContact CA-O 3.38Å; P198-K205 HydrophobicContact CB-CG 4.46Å; P198-L212 WeakPolarHBondContact O-CD2 3.25Å
199C80.4Confident68.1Low5 Ų5103 Ų1033%0.03458%0.575CS.*  trans-77.2126.6168.4-177.90000111V201 K203 K204 L212 H215 H219C199-V201 PolarHBondContact O-N 3.1Å; C199-K203 WeakPolarHBondContact O-CA 3.4Å; C199-K203 PolarHBondContact O-N 3.42Å; C199-K204 PolarHBondContact N-O 2.73Å; C199-L212 VanDerWaalsContact CA-CD1 3.46Å; C199-L212 HydrophobicContact CB-CD1 3.59Å; C199-H215 PolarHBondContact SG-NE2 3.06Å; C199-H215 VanDerWaalsContact SG-NE2 3.43Å; C199-H219 VanDerWaalsContact SG-CD2 3.53Å; C199-H219 PolarHBondContact SG-NE2 3.38Å
200Q77.2Confident70.4Confident172 Ų172107.8 Ų107.880%0.80457%0.567SS**THydrogen-bonded Turntrans-68.5-21.6-179.8-60.5-63.4-3.600113.8
201V78.3Confident72.4Confident104 Ų104105.2 Ų105.263%0.6354%0.541SS*.THydrogen-bonded Turntrans-89.4-46.8-177-176.10000111.9C199 H219C199-V201 PolarHBondContact O-N 3.1Å; V201-H219 HydrophobicContact CG1-CB 4.47Å; V201-H219 WeakPolarHBondContact CG1-ND1 2.88Å; V201-H219 HydrophobicContact CG2-CB 4.46Å
202C78.3Confident74.8Confident48 Ų4897.3 Ų97.332%0.32451%0.505SS..THydrogen-bonded Turntrans-116.36.2-17872.90000115.2K204 H215 H219C202-K204 PolarHBondContact O-N 3.21Å; C202-K204 VanDerWaalsContact SG-CG 3.52Å; C202-H215 PolarHBondContact SG-CE1 3.15Å; C202-H215 PolarHBondContact SG-NE2 2.7Å; C202-H219 PolarHBondContact SG-NE2 3.06Å; C202-H219 VanDerWaalsContact SG-NE2 3.43Å
203K78.2Confident76.7Confident178 Ų17895.9 Ų95.977%0.77448%0.482SS*.  trans58.514177.3-56.9-179.3-179.1179.10114.8C199C199-K203 WeakPolarHBondContact O-CA 3.4Å; C199-K203 PolarHBondContact O-N 3.42Å
204K78.9Confident78Confident125 Ų12594.2 Ų94.254%0.54347%0.469SS..  trans-68.9131.7173.2-73.1-179-176.2179.40110.1P198 C199 C202 F206P198-K204 CarbonylContact C-O 3.5Å; P198-K204 WeakPolarHBondContact CA-O 3.38Å; C199-K204 PolarHBondContact N-O 2.73Å; C202-K204 PolarHBondContact O-N 3.21Å; C202-K204 VanDerWaalsContact SG-CG 3.52Å; K204-F206 HydrophobicContact CB-CE2 3.73Å; K204-F206 HydrophobicContact CB-CZ 4.02Å
205K83.5Confident79.3Confident136 Ų13691.7 Ų91.759%0.59144%0.436SS*.EExtended strand (participates in β ladder)trans-95.8135179.8-56.2-166.4-179.9-176.90111.1E196 P198E196-K205 HydrophobicContact CB-CB 4.49Å; E196-K205 HydrophobicContact CB-CD 4.35Å; E196-K205 WeakPolarHBondContact OE2-CD 3.31Å; E196-K205 WeakPolarHBondContact OE2-CE 3.03Å; E196-K205 IonicContact OE2-NZ 3.33Å; E196-K205 PolarHBondContact OE2-NZ 3.25Å; P198-K205 HydrophobicContact CB-CG 4.46Å
206F82.5Confident79.8Confident40 Ų4087.5 Ų87.518%0.17542%0.422CS..EExtended strand (participates in β ladder)trans-121.7140.6178.1-64.8-85000110.4Y197 K204 L208 L211 L212 H215Y197-F206 PolarHBondContact N-O 3.28Å; Y197-F206 PolarHBondContact O-N 2.89Å; K204-F206 HydrophobicContact CB-CE2 3.73Å; K204-F206 HydrophobicContact CB-CZ 4.02Å; F206-L208 PolarHBondContact O-N 3.17Å; F206-L211 HydrophobicContact CB-CB 4.01Å; F206-L211 HydrophobicContact CD1-CB 3.82Å; F206-L211 HydrophobicContact CG-CB 4.16Å; F206-L212 HydrophobicContact CB-CB 4.32Å; F206-L212 HydrophobicContact CD2-CB 4.13Å; F206-L212 HydrophobicContact CD2-CD1 3.95Å; F206-L212 HydrophobicContact CE2-CD1 4.29Å; F206-L212 HydrophobicContact CG-CB 4.46Å; F206-H215 HydrophobicContact CD2-CB 4.47Å; F206-H215 HydrophobicContact CE1-CB 4.06Å; F206-H215 HydrophobicContact CE2-CB 3.67Å; F206-H215 AromaticContact CE2-CD2 3.29Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.32Å; F206-H215 AromaticContact CE2-CG 3.4Å; F206-H215 AromaticContact CE2-NE2 3.97Å; F206-H215 HydrophobicContact CZ-CB 3.43Å; F206-H215 VanDerWaalsContact CZ-CB 3.43Å; F206-H215 AromaticContact CZ-CD2 3.64Å; F206-H215 AromaticContact CZ-CG 3.24Å; F206-H215 AromaticContact CZ-ND1 3.69Å
207P82.7Confident79.4Confident95 Ų9584.1 Ų84.162%0.61741%0.406SS*.SBendtrans-72.6-9.5-179.929.8-36000113.3L211P207-L211 HydrophobicContact CG-CD1 4.05Å
208L81.8Confident79.2Confident75 Ų7583.5 Ų83.539%0.39341%0.413SS..SBendtrans-143.6136.1-173.9-73.5154.7000110.2Y197 F206 R210 L211 L212Y197-L208 VanDerWaalsContact CD2-C 3.43Å; F206-L208 PolarHBondContact O-N 3.17Å; L208-R210 VanDerWaalsContact C-N 3.26Å; L208-R210 HydrophobicContact CB-CG 4.04Å; L208-R210 PolarHBondContact O-N 3.46Å; L208-L211 HydrophobicContact CB-CD1 4.15Å; L208-L211 HydrophobicContact CB-CG 4.12Å; L208-L211 HydrophobicContact CD1-CD1 4.16Å; L208-L211 WeakPolarHBondContact O-CB 3.45Å; L208-L211 PolarHBondContact O-N 2.66Å; L208-L212 PolarHBondContact O-N 3.07Å
209Q81.4Confident78.7Confident81 Ų8183.8 Ų83.838%0.37941%0.409SS..Hα-helixtrans-57.5-36.9178.5-174.264.2-12.100112.6Y197 L211 L212 N213Y197-Q209 HydrophobicContact CD1-CB 3.97Å; Y197-Q209 HydrophobicContact CD1-CG 4.36Å; Y197-Q209 HydrophobicContact CD2-CB 4.27Å; Y197-Q209 HydrophobicContact CE1-CB 3.76Å; Y197-Q209 HydrophobicContact CE1-CG 4.26Å; Y197-Q209 HydrophobicContact CE2-CB 4.11Å; Y197-Q209 HydrophobicContact CG-CB 4.18Å; Y197-Q209 VanDerWaalsContact CG-OE1 3.32Å; Q209-L211 PolarHBondContact O-N 3.08Å; Q209-L212 PolarHBondContact O-N 2.75Å; Q209-L212 VanDerWaalsContact O-N 3.13Å; Q209-N213 PolarHBondContact O-N 3.18Å
210R81.2Confident78Confident185 Ų18586.6 Ų86.670%0.69842%0.423SS*.Hα-helixtrans-59-33.5175.369.6-177.7-178.1168.6-3.1113.2L208 R214L208-R210 VanDerWaalsContact C-N 3.26Å; L208-R210 HydrophobicContact CB-CG 4.04Å; L208-R210 PolarHBondContact O-N 3.46Å; R210-R214 WeakPolarHBondContact O-CB 3.37Å; R210-R214 PolarHBondContact O-N 3.28Å
211L80.7Confident77.2Confident37 Ų3787.6 Ų87.619%0.19443%0.428CS..Hα-helixtrans-77.4-36.8178.2-64177.3000110.7F206 P207 L208 Q209 R214 H215F206-L211 HydrophobicContact CB-CB 4.01Å; F206-L211 HydrophobicContact CD1-CB 3.82Å; F206-L211 HydrophobicContact CG-CB 4.16Å; P207-L211 HydrophobicContact CG-CD1 4.05Å; L208-L211 HydrophobicContact CB-CD1 4.15Å; L208-L211 HydrophobicContact CB-CG 4.12Å; L208-L211 HydrophobicContact CD1-CD1 4.16Å; L208-L211 WeakPolarHBondContact O-CB 3.45Å; L208-L211 PolarHBondContact O-N 2.66Å; Q209-L211 PolarHBondContact O-N 3.08Å; L211-R214 VanDerWaalsContact CD2-NH2 3.33Å; L211-R214 WeakPolarHBondContact O-CB 3.21Å; L211-R214 PolarHBondContact O-N 2.8Å; L211-H215 VanDerWaalsContact O-CB 3.25Å; L211-H215 WeakPolarHBondContact O-CB 3.38Å; L211-H215 PolarHBondContact O-N 2.82Å
212L83Confident76.2Confident23 Ų2386.6 Ų86.612%0.1242%0.418CS..Hα-helixtrans-62.4-48.3171.1175.360.5000111.1P198 C199 F206 L208 Q209 R214 H215 S216P198-L212 WeakPolarHBondContact O-CD2 3.25Å; C199-L212 VanDerWaalsContact CA-CD1 3.46Å; C199-L212 HydrophobicContact CB-CD1 3.59Å; F206-L212 HydrophobicContact CB-CB 4.32Å; F206-L212 HydrophobicContact CD2-CB 4.13Å; F206-L212 HydrophobicContact CD2-CD1 3.95Å; F206-L212 HydrophobicContact CE2-CD1 4.29Å; F206-L212 HydrophobicContact CG-CB 4.46Å; L208-L212 PolarHBondContact O-N 3.07Å; Q209-L212 PolarHBondContact O-N 2.75Å; Q209-L212 VanDerWaalsContact O-N 3.13Å; L212-R214 PolarHBondContact O-N 3.29Å; L212-H215 CarbonylContact O-C 3.57Å; L212-H215 WeakPolarHBondContact O-CB 3.49Å; L212-H215 PolarHBondContact O-N 3.29Å; L212-H215 VanDerWaalsContact O-N 3.07Å; L212-S216 PolarHBondContact O-N 2.84Å; L212-S216 PolarHBondContact O-OG 3.17Å
213N79.4Confident75.6Confident80 Ų8090 Ų9043%0.42843%0.428SS..Hα-helixtrans-60.4-34.8176.6-76.2-12.2000112.6Q209 S216 K217Q209-N213 PolarHBondContact O-N 3.18Å; N213-S216 WeakPolarHBondContact CA-OG 3.44Å; N213-S216 PolarHBondContact O-OG 2.96Å; N213-K217 WeakPolarHBondContact O-CG 3.37Å
214R74.4Confident75Confident124 Ų12487.1 Ų87.147%0.46841%0.412SS..Hα-helixtrans-67.1-45.6172.9-175.7170.871.7172.66111.5R210 L211 L212 K217 D236R210-R214 WeakPolarHBondContact O-CB 3.37Å; R210-R214 PolarHBondContact O-N 3.28Å; L211-R214 VanDerWaalsContact CD2-NH2 3.33Å; L211-R214 WeakPolarHBondContact O-CB 3.21Å; L211-R214 PolarHBondContact O-N 2.8Å; L212-R214 PolarHBondContact O-N 3.29Å; R214-K217 WeakPolarHBondContact O-CB 3.43Å; R214-K217 PolarHBondContact O-N 3.22Å; R214-D236 WeakPolarHBondContact CD-OD2 3.4Å; R214-D236 WeakPolarHBondContact CG-OD2 3.49Å
215H79Confident74.5Confident25 Ų2583.6 Ų83.612%0.11640%0.395CS..Hα-helixtrans-68.2-36.3-180168.168.1000112.9C199 C202 F206 L211 L212 K217 C218 H219C199-H215 PolarHBondContact SG-NE2 3.06Å; C199-H215 VanDerWaalsContact SG-NE2 3.43Å; C202-H215 PolarHBondContact SG-CE1 3.15Å; C202-H215 PolarHBondContact SG-NE2 2.7Å; F206-H215 HydrophobicContact CD2-CB 4.47Å; F206-H215 HydrophobicContact CE1-CB 4.06Å; F206-H215 HydrophobicContact CE2-CB 3.67Å; F206-H215 AromaticContact CE2-CD2 3.29Å; F206-H215 WeakPolarHBondContact CE2-CD2 3.32Å; F206-H215 AromaticContact CE2-CG 3.4Å; F206-H215 AromaticContact CE2-NE2 3.97Å; F206-H215 HydrophobicContact CZ-CB 3.43Å; F206-H215 VanDerWaalsContact CZ-CB 3.43Å; F206-H215 AromaticContact CZ-CD2 3.64Å; F206-H215 AromaticContact CZ-CG 3.24Å; F206-H215 AromaticContact CZ-ND1 3.69Å; L211-H215 VanDerWaalsContact O-CB 3.25Å; L211-H215 WeakPolarHBondContact O-CB 3.38Å; L211-H215 PolarHBondContact O-N 2.82Å; L212-H215 CarbonylContact O-C 3.57Å; L212-H215 WeakPolarHBondContact O-CB 3.49Å; L212-H215 PolarHBondContact O-N 3.29Å; L212-H215 VanDerWaalsContact O-N 3.07Å; H215-K217 PolarHBondContact O-N 3.41Å; H215-C218 WeakPolarHBondContact O-CA 3.47Å; H215-C218 WeakPolarHBondContact O-CB 3.42Å; H215-C218 PolarHBondContact O-N 3.3Å; H215-H219 AromaticContact CE1-NE2 3.61Å; H215-H219 AromaticContact NE2-CD2 3.92Å; H215-H219 AromaticContact NE2-NE2 3.2Å; H215-H219 PolarHBondContact NE2-NE2 2.88Å; H215-H219 VanDerWaalsContact NE2-NE2 3.2Å
216S75.9Confident74.1Confident47 Ų4782.6 Ų82.633%0.32940%0.396SS..Hα-helixtrans-62.1-29.4178.163.80000112L212 N213 C218 H219L212-S216 PolarHBondContact O-N 2.84Å; L212-S216 PolarHBondContact O-OG 3.17Å; N213-S216 WeakPolarHBondContact CA-OG 3.44Å; N213-S216 PolarHBondContact O-OG 2.96Å; S216-C218 PolarHBondContact O-N 3.37Å; S216-H219 WeakPolarHBondContact O-CB 2.95Å; S216-H219 PolarHBondContact O-N 2.98Å
217K72.2Confident73.8Confident43 Ų4380.9 Ų80.919%0.18739%0.389CS..THydrogen-bonded Turntrans-61.8-24170.5-59.3174.6-164.9172.70113.2N213 R214 H215 H219 L220 N235 D236N213-K217 WeakPolarHBondContact O-CG 3.37Å; R214-K217 WeakPolarHBondContact O-CB 3.43Å; R214-K217 PolarHBondContact O-N 3.22Å; H215-K217 PolarHBondContact O-N 3.41Å; K217-H219 VanDerWaalsContact C-N 3.26Å; K217-H219 PolarHBondContact O-N 2.73Å; K217-L220 PolarHBondContact O-N 3.03Å; K217-N235 HydrophobicContact CB-CB 4.29Å; K217-N235 VanDerWaalsContact CD-O 3.26Å; K217-N235 WeakPolarHBondContact CD-O 3.27Å; K217-D236 IonicContact NZ-OD1 3.66Å; K217-D236 PolarHBondContact NZ-OD1 3.39Å
218C72.1Confident73.4Confident70 Ų7080.8 Ų80.847%0.47339%0.387SS..THydrogen-bonded Turntrans-73.1-19.8175.4-57.40000113.1H215 S216 N235H215-C218 WeakPolarHBondContact O-CA 3.47Å; H215-C218 WeakPolarHBondContact O-CB 3.42Å; H215-C218 PolarHBondContact O-N 3.3Å; S216-C218 PolarHBondContact O-N 3.37Å; C218-N235 WeakPolarHBondContact CA-ND2 3.26Å; C218-N235 PolarHBondContact SG-ND2 3.47Å
219H72.8Confident72.9Confident66 Ų6681 Ų8131%0.30638%0.384SS..THydrogen-bonded Turntrans-81-24.8173.1-68.8-57.4000112.4C199 V201 C202 H215 S216 K217 E221C199-H219 VanDerWaalsContact SG-CD2 3.53Å; C199-H219 PolarHBondContact SG-NE2 3.38Å; V201-H219 HydrophobicContact CG1-CB 4.47Å; V201-H219 WeakPolarHBondContact CG1-ND1 2.88Å; V201-H219 HydrophobicContact CG2-CB 4.46Å; C202-H219 PolarHBondContact SG-NE2 3.06Å; C202-H219 VanDerWaalsContact SG-NE2 3.43Å; H215-H219 AromaticContact CE1-NE2 3.61Å; H215-H219 AromaticContact NE2-CD2 3.92Å; H215-H219 AromaticContact NE2-NE2 3.2Å; H215-H219 PolarHBondContact NE2-NE2 2.88Å; H215-H219 VanDerWaalsContact NE2-NE2 3.2Å; S216-H219 WeakPolarHBondContact O-CB 2.95Å; S216-H219 PolarHBondContact O-N 2.98Å; K217-H219 VanDerWaalsContact C-N 3.26Å; K217-H219 PolarHBondContact O-N 2.73Å; H219-E221 PolarHBondContact O-N 3.44Å
220L65.1Low72.6Confident64 Ų6479.4 Ų79.434%0.33538%0.382SS..SBendtrans-75.8114.4167.5-56.4173.4000106.3K217 I222K217-L220 PolarHBondContact O-N 3.03Å; L220-I222 HydrophobicContact CB-CB 4.47Å; L220-I222 PolarHBondContact O-N 3.37Å
221E60Low72.3Confident193 Ų19372.3 Ų72.390%0.90237%0.367SS*.SBendtrans-62.72.2172.2-62.6-175.5163.800112.7H219 K223H219-E221 PolarHBondContact O-N 3.44Å; E221-K223 PolarHBondContact O-N 2.89Å
222I57.3Low72Confident84 Ų8476.7 Ų76.743%0.43138%0.384SS..  trans-89.297.4177.7-51.1172.2000109.2V170 L220 R224V170-I222 HydrophobicContact CG2-CD1 4.45Å; L220-I222 HydrophobicContact CB-CB 4.47Å; L220-I222 PolarHBondContact O-N 3.37Å; I222-R224 PolarHBondContact O-N 3.36Å
223K65Low71.6Confident120 Ų12076.1 Ų76.152%0.52238%0.383SS..  trans-76.2105.3170.6-55.4-164.7-170.6172.60109.8E221 Y225 G233E221-K223 PolarHBondContact O-N 2.89Å; K223-Y225 VanDerWaalsContact C-N 3.31Å; K223-Y225 PolarHBondContact O-N 3.32Å; K223-G233 WeakPolarHBondContact CD-O 3.31Å
224R67.2Low71.4Confident117 Ų11774.2 Ų74.244%0.44237%0.371SS..  trans-69.6-24.7-171.7-61.9-176.1-176.6-179.31.3114.2L175 I222 F234L175-R224 VanDerWaalsContact CD2-NH2 3.34Å; I222-R224 PolarHBondContact O-N 3.36Å; R224-F234 PolarHBondContact N-O 3.25Å
225Y67.6Low71.2Confident51 Ų5169.9 Ų69.920%0.236%0.358CS..EExtended strand (participates in β ladder)trans-113.2100-172.9-60.3-72.6000110.6K223 G233 F234 N235 T237K223-Y225 VanDerWaalsContact C-N 3.31Å; K223-Y225 PolarHBondContact O-N 3.32Å; Y225-G233 CarbonylContact O-C 3.41Å; Y225-G233 VanDerWaalsContact O-CA 3.31Å; Y225-G233 WeakPolarHBondContact O-CA 3.41Å; Y225-F234 WeakPolarHBondContact CB-O 3.37Å; Y225-F234 PolarHBondContact N-O 2.78Å; Y225-F234 PolarHBondContact O-N 3.47Å; Y225-N235 WeakPolarHBondContact CE2-O 3.45Å; Y225-T237 HydrophobicContact CD1-CG2 3.82Å; Y225-T237 HydrophobicContact CE1-CG2 3.24Å; Y225-T237 HydrophobicContact CE2-CG2 4.12Å; Y225-T237 HydrophobicContact CG-CG2 4.47Å; Y225-T237 VanDerWaalsContact CZ-CG2 3.41Å
226L74.3Confident70.8Confident115 Ų11569.8 Ų69.860%0.60236%0.358SS*.EExtended strand (participates in β ladder)trans-88.1136.8178.7-61.4171.2000110.4
227C76.9Confident70.9Confident3 Ų370.5 Ų70.52%0.0236%0.36CS..  trans-74.3124.8169.2-178.40000110.6F229 C230 G231 K232 F234 L240 H243 H247C227-F229 VanDerWaalsContact C-N 3.25Å; C227-F229 PolarHBondContact O-N 3.42Å; C227-F229 PolarHBondContact SG-N 2.68Å; C227-C230 PolarHBondContact O-N 2.72Å; C227-C230 VanDerWaalsContact SG-SG 3.69Å; C227-G231 VanDerWaalsContact O-CA 3.23Å; C227-G231 WeakPolarHBondContact O-CA 3.38Å; C227-G231 PolarHBondContact O-N 3.32Å; C227-K232 HydrophobicContact CB-CB 4.49Å; C227-K232 PolarHBondContact N-O 2.88Å; C227-F234 HydrophobicContact CB-CE2 4.27Å; C227-L240 HydrophobicContact CB-CD1 3.88Å; C227-H243 VanDerWaalsContact CB-CD2 3.49Å; C227-H243 WeakPolarHBondContact CB-CD2 3.33Å; C227-H243 PolarHBondContact SG-CD2 3.33Å; C227-H243 PolarHBondContact SG-NE2 2.76Å; C227-H247 VanDerWaalsContact SG-CD2 3.56Å; C227-H247 PolarHBondContact SG-NE2 3.37Å
228T74.2Confident71Confident94 Ų9475.2 Ų75.258%0.57738%0.381SS*.THydrogen-bonded Turntrans-62.7-29.2177.350.40000113.4
229F71.5Confident71.3Confident78 Ų7873.9 Ų73.934%0.34237%0.37SS..THydrogen-bonded Turntrans-81.7-34-178.5-62.9-78.9000114.3C227 H247 T248C227-F229 VanDerWaalsContact C-N 3.25Å; C227-F229 PolarHBondContact O-N 3.42Å; C227-F229 PolarHBondContact SG-N 2.68Å; F229-H247 HydrophobicContact CB-CB 4.09Å; F229-H247 VanDerWaalsContact CB-CG 3.46Å; F229-H247 HydrophobicContact CD1-CB 4.19Å; F229-H247 HydrophobicContact CD2-CB 3.56Å; F229-H247 AromaticContact CD2-CD2 3.74Å; F229-H247 AromaticContact CD2-CG 3.69Å; F229-H247 HydrophobicContact CE2-CB 3.94Å; F229-H247 HydrophobicContact CG-CB 3.69Å; F229-H247 AromaticContact CG-CD2 3.96Å; F229-H247 AromaticContact CG-CG 3.63Å; F229-H247 HydrophobicContact CZ-CB 4.39Å; F229-T248 HydrophobicContact CE2-CG2 4.4Å; F229-T248 HydrophobicContact CZ-CG2 4.35Å
230C74.6Confident71.6Confident48 Ų4871.6 Ų71.632%0.32436%0.359SS..THydrogen-bonded Turntrans-133-0.3-172.668.20000115.1C227 K232 H243 H247C227-C230 PolarHBondContact O-N 2.72Å; C227-C230 VanDerWaalsContact SG-SG 3.69Å; C230-K232 PolarHBondContact O-N 3.14Å; C230-K232 VanDerWaalsContact O-N 3.17Å; C230-K232 VanDerWaalsContact SG-CG 3.51Å; C230-H243 PolarHBondContact SG-NE2 3.29Å; C230-H247 PolarHBondContact SG-NE2 3.22Å
231G74.4Confident72.2Confident37 Ų3770.7 Ų70.738%0.38135%0.353SS..  trans70.32.8-178.300000114.9C227 G233C227-G231 VanDerWaalsContact O-CA 3.23Å; C227-G231 WeakPolarHBondContact O-CA 3.38Å; C227-G231 PolarHBondContact O-N 3.32Å; G231-G233 PolarHBondContact O-N 3.12Å
232K75Confident73.1Confident128 Ų12866 Ų6656%0.55733%0.327SS*.  trans-65124.7178.2-74-179.4-177.4-178.90110.5C227 C230 F234C227-K232 HydrophobicContact CB-CB 4.49Å; C227-K232 PolarHBondContact N-O 2.88Å; C230-K232 PolarHBondContact O-N 3.14Å; C230-K232 VanDerWaalsContact O-N 3.17Å; C230-K232 VanDerWaalsContact SG-CG 3.51Å; K232-F234 HydrophobicContact CB-CE2 3.84Å; K232-F234 HydrophobicContact CB-CZ 4.07Å; K232-F234 WeakPolarHBondContact O-CD2 3.45Å; K232-F234 VanDerWaalsContact O-CE2 3.27Å; K232-F234 WeakPolarHBondContact O-CE2 3.33Å
233G75.1Confident74.2Confident11 Ų1163.1 Ų63.111%0.11331%0.312CS..EExtended strand (participates in β ladder)trans-81.3147.3172.900000113.2K223 Y225 G231K223-G233 WeakPolarHBondContact CD-O 3.31Å; Y225-G233 CarbonylContact O-C 3.41Å; Y225-G233 VanDerWaalsContact O-CA 3.31Å; Y225-G233 WeakPolarHBondContact O-CA 3.41Å; G231-G233 PolarHBondContact O-N 3.12Å
234F74.5Confident74.9Confident40 Ų4058.1 Ų58.118%0.17529%0.291CS..EExtended strand (participates in β ladder)trans-131.9154.6174.4-61.5-85.5000110.2R224 Y225 C227 K232 D239 L240 H243R224-F234 PolarHBondContact N-O 3.25Å; Y225-F234 WeakPolarHBondContact CB-O 3.37Å; Y225-F234 PolarHBondContact N-O 2.78Å; Y225-F234 PolarHBondContact O-N 3.47Å; C227-F234 HydrophobicContact CB-CE2 4.27Å; K232-F234 HydrophobicContact CB-CE2 3.84Å; K232-F234 HydrophobicContact CB-CZ 4.07Å; K232-F234 WeakPolarHBondContact O-CD2 3.45Å; K232-F234 VanDerWaalsContact O-CE2 3.27Å; K232-F234 WeakPolarHBondContact O-CE2 3.33Å; F234-D239 HydrophobicContact CB-CB 4.19Å; F234-D239 HydrophobicContact CD1-CB 3.87Å; F234-D239 HydrophobicContact CG-CB 4.32Å; F234-L240 HydrophobicContact CB-CB 4.27Å; F234-L240 HydrophobicContact CD2-CB 4.12Å; F234-L240 HydrophobicContact CD2-CD1 3.78Å; F234-L240 HydrophobicContact CE2-CD1 4.15Å; F234-L240 HydrophobicContact CG-CB 4.35Å; F234-H243 HydrophobicContact CD2-CB 4.5Å; F234-H243 HydrophobicContact CE1-CB 3.85Å; F234-H243 HydrophobicContact CE2-CB 3.7Å; F234-H243 AromaticContact CE2-CD2 3.26Å; F234-H243 WeakPolarHBondContact CE2-CD2 3.33Å; F234-H243 AromaticContact CE2-CG 3.44Å; F234-H243 VanDerWaalsContact CE2-CG 3.44Å; F234-H243 AromaticContact CE2-NE2 3.98Å; F234-H243 HydrophobicContact CZ-CB 3.32Å; F234-H243 AromaticContact CZ-CD2 3.45Å; F234-H243 VanDerWaalsContact CZ-CD2 3.45Å; F234-H243 WeakPolarHBondContact CZ-CD2 3.48Å; F234-H243 AromaticContact CZ-CG 3.12Å; F234-H243 AromaticContact CZ-ND1 3.62Å
235N70.2Confident75.4Confident34 Ų3454.5 Ų54.518%0.18228%0.277CS..SBendtrans-87.9-17-179-64.9-13.4000112.5K217 C218 Y225K217-N235 HydrophobicContact CB-CB 4.29Å; K217-N235 VanDerWaalsContact CD-O 3.26Å; K217-N235 WeakPolarHBondContact CD-O 3.27Å; C218-N235 WeakPolarHBondContact CA-ND2 3.26Å; C218-N235 PolarHBondContact SG-ND2 3.47Å; Y225-N235 WeakPolarHBondContact CE2-O 3.45Å
236D71.8Confident76Confident22 Ų2256.2 Ų56.212%0.11829%0.293CS..SBendtrans-136.7151.6177.7-64.1-55.3000113.5R214 K217 F238 D239 L240R214-D236 WeakPolarHBondContact CD-OD2 3.4Å; R214-D236 WeakPolarHBondContact CG-OD2 3.49Å; K217-D236 IonicContact NZ-OD1 3.66Å; K217-D236 PolarHBondContact NZ-OD1 3.39Å; D236-F238 VanDerWaalsContact C-N 3.26Å; D236-F238 PolarHBondContact O-N 3.49Å; D236-D239 PolarHBondContact O-N 3.04Å; D236-L240 PolarHBondContact O-N 3.47Å
237T76.3Confident76.1Confident62 Ų6254.3 Ų54.338%0.3828%0.281SS..Hα-helixtrans-58.9-36.717452.70000112.4Y225 L240 K241Y225-T237 HydrophobicContact CD1-CG2 3.82Å; Y225-T237 HydrophobicContact CE1-CG2 3.24Å; Y225-T237 HydrophobicContact CE2-CG2 4.12Å; Y225-T237 HydrophobicContact CG-CG2 4.47Å; Y225-T237 VanDerWaalsContact CZ-CG2 3.41Å; T237-L240 PolarHBondContact O-N 3.31Å; T237-K241 WeakPolarHBondContact O-CB 3.27Å; T237-K241 PolarHBondContact O-N 2.97Å
238F76Confident75.9Confident143 Ų14357 Ų5763%0.62730%0.297SS*.Hα-helixtrans-65.4-40.8179.5-174.7-93.8000111.8D236 K241 R242D236-F238 VanDerWaalsContact C-N 3.26Å; D236-F238 PolarHBondContact O-N 3.49Å; F238-K241 PolarHBondContact O-N 3.24Å; F238-R242 WeakPolarHBondContact O-CB 3.47Å; F238-R242 PolarHBondContact O-N 3.4Å
239D77.5Confident75.9Confident42 Ų4254.9 Ų54.923%0.22529%0.294CS..Hα-helixtrans-70-39177.5-70.6-33.3000111.1F234 D236 R242 H243F234-D239 HydrophobicContact CB-CB 4.19Å; F234-D239 HydrophobicContact CD1-CB 3.87Å; F234-D239 HydrophobicContact CG-CB 4.32Å; D236-D239 PolarHBondContact O-N 3.04Å; D239-R242 PolarHBondContact O-N 2.69Å; D239-R242 IonicContact OD1-CZ 2.75Å; D239-R242 VanDerWaalsContact OD1-CZ 3.29Å; D239-R242 IonicContact OD1-NH1 3.29Å; D239-R242 PolarHBondContact OD1-NH1 3.3Å; D239-R242 IonicContact OD1-NH2 3.85Å; D239-R242 PolarHBondContact OD1-NH2 3.17Å; D239-H243 VanDerWaalsContact O-CB 3.27Å; D239-H243 WeakPolarHBondContact O-CB 3.29Å; D239-H243 PolarHBondContact O-N 2.88Å
240L79.5Confident76.1Confident17 Ų1753 Ų539%0.08929%0.289CS..Hα-helixtrans-60.4-49.5170.8176.263.7000111C227 F234 D236 T237 R242 H243 T244C227-L240 HydrophobicContact CB-CD1 3.88Å; F234-L240 HydrophobicContact CB-CB 4.27Å; F234-L240 HydrophobicContact CD2-CB 4.12Å; F234-L240 HydrophobicContact CD2-CD1 3.78Å; F234-L240 HydrophobicContact CE2-CD1 4.15Å; F234-L240 HydrophobicContact CG-CB 4.35Å; D236-L240 PolarHBondContact O-N 3.47Å; T237-L240 PolarHBondContact O-N 3.31Å; L240-R242 VanDerWaalsContact C-N 3.31Å; L240-R242 PolarHBondContact O-N 3.22Å; L240-H243 CarbonylContact O-C 3.48Å; L240-H243 WeakPolarHBondContact O-CA 3.44Å; L240-H243 WeakPolarHBondContact O-CB 3.43Å; L240-H243 PolarHBondContact O-N 3.18Å; L240-T244 HydrophobicContact CD1-CG2 4.08Å; L240-T244 HydrophobicContact CG-CG2 4.31Å; L240-T244 WeakPolarHBondContact O-CG2 3.4Å; L240-T244 PolarHBondContact O-N 3.23Å; L240-T244 PolarHBondContact O-OG1 3.07Å
241K77.9Confident76.3Confident46 Ų4656.8 Ų56.820%0.230%0.296CS..Hα-helixtrans-62-37.6179.4-171.6168-178.3169.80112.1D149 L152 N153 I156 T237 F238 H243 T244 R245D149-K241 IonicContact OD1-NZ 3.42Å; L152-K241 HydrophobicContact CD2-CG 4.01Å; N153-K241 PolarHBondContact OD1-NZ 3.07Å; I156-K241 HydrophobicContact CD1-CB 3.89Å; I156-K241 HydrophobicContact CD1-CD 3.91Å; I156-K241 HydrophobicContact CD1-CG 3.72Å; T237-K241 WeakPolarHBondContact O-CB 3.27Å; T237-K241 PolarHBondContact O-N 2.97Å; F238-K241 PolarHBondContact O-N 3.24Å; K241-H243 VanDerWaalsContact C-N 3.33Å; K241-T244 WeakPolarHBondContact CA-OG1 3.4Å; K241-T244 PolarHBondContact O-OG1 2.92Å; K241-R245 WeakPolarHBondContact O-CG 3.43Å
242R78.9Confident76.5Confident93 Ų9358.2 Ų58.235%0.35130%0.299SS..Hα-helixtrans-66-39.8172.6-176.6179.665.8-142.4-11.9111.1F238 D239 L240 R245 Q264F238-R242 WeakPolarHBondContact O-CB 3.47Å; F238-R242 PolarHBondContact O-N 3.4Å; D239-R242 PolarHBondContact O-N 2.69Å; D239-R242 IonicContact OD1-CZ 2.75Å; D239-R242 VanDerWaalsContact OD1-CZ 3.29Å; D239-R242 IonicContact OD1-NH1 3.29Å; D239-R242 PolarHBondContact OD1-NH1 3.3Å; D239-R242 IonicContact OD1-NH2 3.85Å; D239-R242 PolarHBondContact OD1-NH2 3.17Å; L240-R242 VanDerWaalsContact C-N 3.31Å; L240-R242 PolarHBondContact O-N 3.22Å; R242-R245 WeakPolarHBondContact O-CB 3.25Å; R242-Q264 HydrophobicContact CG-CG 4.43Å
243H80.5Confident76.7Confident25 Ų2555.6 Ų55.612%0.11629%0.286CS..Hα-helixtrans-69.6-39177.317367.4000112.5C227 C230 F234 D239 L240 K241 R245 T246 H247C227-H243 VanDerWaalsContact CB-CD2 3.49Å; C227-H243 WeakPolarHBondContact CB-CD2 3.33Å; C227-H243 PolarHBondContact SG-CD2 3.33Å; C227-H243 PolarHBondContact SG-NE2 2.76Å; C230-H243 PolarHBondContact SG-NE2 3.29Å; F234-H243 HydrophobicContact CD2-CB 4.5Å; F234-H243 HydrophobicContact CE1-CB 3.85Å; F234-H243 HydrophobicContact CE2-CB 3.7Å; F234-H243 AromaticContact CE2-CD2 3.26Å; F234-H243 WeakPolarHBondContact CE2-CD2 3.33Å; F234-H243 AromaticContact CE2-CG 3.44Å; F234-H243 VanDerWaalsContact CE2-CG 3.44Å; F234-H243 AromaticContact CE2-NE2 3.98Å; F234-H243 HydrophobicContact CZ-CB 3.32Å; F234-H243 AromaticContact CZ-CD2 3.45Å; F234-H243 VanDerWaalsContact CZ-CD2 3.45Å; F234-H243 WeakPolarHBondContact CZ-CD2 3.48Å; F234-H243 AromaticContact CZ-CG 3.12Å; F234-H243 AromaticContact CZ-ND1 3.62Å; D239-H243 VanDerWaalsContact O-CB 3.27Å; D239-H243 WeakPolarHBondContact O-CB 3.29Å; D239-H243 PolarHBondContact O-N 2.88Å; L240-H243 CarbonylContact O-C 3.48Å; L240-H243 WeakPolarHBondContact O-CA 3.44Å; L240-H243 WeakPolarHBondContact O-CB 3.43Å; L240-H243 PolarHBondContact O-N 3.18Å; K241-H243 VanDerWaalsContact C-N 3.33Å; H243-R245 PolarHBondContact O-N 3.47Å; H243-T246 WeakPolarHBondContact O-CB 3.17Å; H243-T246 PolarHBondContact O-N 3.41Å; H243-T246 PolarHBondContact O-OG1 3.41Å; H243-H247 AromaticContact CD2-NE2 3.98Å; H243-H247 AromaticContact CE1-NE2 3.39Å; H243-H247 PolarHBondContact CE1-NE2 3.47Å; H243-H247 AromaticContact NE2-CD2 3.67Å; H243-H247 AromaticContact NE2-NE2 3.04Å; H243-H247 PolarHBondContact NE2-NE2 3.38Å
244T78.6Confident76.9Confident14 Ų1460.1 Ų60.19%0.08630%0.303CS..Hα-helixtrans-61.7-28.8178.654.20000112.3L240 K241 T246 H247 T248L240-T244 HydrophobicContact CD1-CG2 4.08Å; L240-T244 HydrophobicContact CG-CG2 4.31Å; L240-T244 WeakPolarHBondContact O-CG2 3.4Å; L240-T244 PolarHBondContact O-N 3.23Å; L240-T244 PolarHBondContact O-OG1 3.07Å; K241-T244 WeakPolarHBondContact CA-OG1 3.4Å; K241-T244 PolarHBondContact O-OG1 2.92Å; T244-T246 PolarHBondContact O-N 2.8Å; T244-H247 PolarHBondContact O-N 3.01Å; T244-T248 PolarHBondContact O-N 3.28Å; T244-T248 PolarHBondContact O-OG1 3Å
245R79.2Confident77.1Confident42 Ų4258.3 Ų58.316%0.15830%0.295CS..Hα-helixtrans-59.3-23171-65.5174.3-177.4173.9-0.9113.8L152 K241 R242 H243 H247 G249L152-R245 HydrophobicContact CD2-CG 4.44Å; K241-R245 WeakPolarHBondContact O-CG 3.43Å; R242-R245 WeakPolarHBondContact O-CB 3.25Å; H243-R245 PolarHBondContact O-N 3.47Å; R245-H247 VanDerWaalsContact C-N 3.3Å; R245-G249 PolarHBondContact O-N 3.04Å
246T78.8Confident77.5Confident87 Ų8763.6 Ų63.653%0.53432%0.323SS..Hα-helixtrans-74.7-23.717570.50000112.4H243 T244H243-T246 WeakPolarHBondContact O-CB 3.17Å; H243-T246 PolarHBondContact O-N 3.41Å; H243-T246 PolarHBondContact O-OG1 3.41Å; T244-T246 PolarHBondContact O-N 2.8Å
247H76.1Confident77.8Confident75 Ų7567.2 Ų67.235%0.34734%0.342SS..Hα-helixtrans-89.5-41.5176.2-64.2-69.4000111.8C227 F229 C230 H243 T244 R245 G249C227-H247 VanDerWaalsContact SG-CD2 3.56Å; C227-H247 PolarHBondContact SG-NE2 3.37Å; F229-H247 HydrophobicContact CB-CB 4.09Å; F229-H247 VanDerWaalsContact CB-CG 3.46Å; F229-H247 HydrophobicContact CD1-CB 4.19Å; F229-H247 HydrophobicContact CD2-CB 3.56Å; F229-H247 AromaticContact CD2-CD2 3.74Å; F229-H247 AromaticContact CD2-CG 3.69Å; F229-H247 HydrophobicContact CE2-CB 3.94Å; F229-H247 HydrophobicContact CG-CB 3.69Å; F229-H247 AromaticContact CG-CD2 3.96Å; F229-H247 AromaticContact CG-CG 3.63Å; F229-H247 HydrophobicContact CZ-CB 4.39Å; C230-H247 PolarHBondContact SG-NE2 3.22Å; H243-H247 AromaticContact CD2-NE2 3.98Å; H243-H247 AromaticContact CE1-NE2 3.39Å; H243-H247 PolarHBondContact CE1-NE2 3.47Å; H243-H247 AromaticContact NE2-CD2 3.67Å; H243-H247 AromaticContact NE2-NE2 3.04Å; H243-H247 PolarHBondContact NE2-NE2 3.38Å; T244-H247 PolarHBondContact O-N 3.01Å; R245-H247 VanDerWaalsContact C-N 3.3Å; H247-G249 VanDerWaalsContact C-N 3.27Å; H247-G249 PolarHBondContact O-N 3.09Å
248T73.4Confident77.8Confident58 Ų5866.3 Ų66.336%0.35634%0.338SS..Hα-helixtrans-79.4-9.1-177.459.80000113.7F229 T244 V250F229-T248 HydrophobicContact CE2-CG2 4.4Å; F229-T248 HydrophobicContact CZ-CG2 4.35Å; T244-T248 PolarHBondContact O-N 3.28Å; T244-T248 PolarHBondContact O-OG1 3Å; T248-V250 PolarHBondContact O-N 3.26Å; T248-V250 VanDerWaalsContact O-N 3.09Å; T248-V250 VanDerWaalsContact OG1-CG2 3.31Å; T248-V250 WeakPolarHBondContact OG1-CG2 3.47Å
249G73.4Confident77.8Confident50 Ų5068 Ų6852%0.51535%0.348SS..  trans65.79.8-176.400000113.9R245 H247 R251R245-G249 PolarHBondContact O-N 3.04Å; H247-G249 VanDerWaalsContact C-N 3.27Å; H247-G249 PolarHBondContact O-N 3.09Å; G249-R251 WeakPolarHBondContact O-CG 3.43Å; G249-R251 PolarHBondContact O-N 2.88Å
250V75.7Confident77.8Confident38 Ų3871.4 Ų71.423%0.2336%0.361CS..  trans-70.1117.7-177.31770000109.6L152 T248 P252L152-V250 HydrophobicContact CD1-CG2 4.42Å; T248-V250 PolarHBondContact O-N 3.26Å; T248-V250 VanDerWaalsContact O-N 3.09Å; T248-V250 VanDerWaalsContact OG1-CG2 3.31Å; T248-V250 WeakPolarHBondContact OG1-CG2 3.47Å; V250-P252 WeakPolarHBondContact O-CD 3.26Å
251R79Confident77.9Confident128 Ų12872.7 Ų72.748%0.48337%0.371SS..  trans-118.481.7-177.9-66.6170.9851011.5109.4G249 Y253 S261 F262 T263G249-R251 WeakPolarHBondContact O-CG 3.43Å; G249-R251 PolarHBondContact O-N 2.88Å; R251-Y253 PolarHBondContact O-N 3.46Å; R251-S261 VanDerWaalsContact CB-CB 3.44Å; R251-S261 VanDerWaalsContact NE-C 3.28Å; R251-S261 PolarHBondContact NE-O 3.15Å; R251-S261 PolarHBondContact NH2-O 3.09Å; R251-F262 CarbonylContact C-O 3.47Å; R251-F262 VanDerWaalsContact C-O 3.24Å; R251-F262 VanDerWaalsContact CA-O 3.25Å; R251-F262 WeakPolarHBondContact CA-O 3.36Å; R251-T263 HydrophobicContact CG-CG2 3.81Å
252P78.8Confident78Confident68 Ų6871.9 Ų71.944%0.44237%0.368SS..  trans-72.7-12.9-171.528.5-33000113.6V250 F262V250-P252 WeakPolarHBondContact O-CD 3.26Å; P252-F262 WeakPolarHBondContact CD-O 3.38Å
253Y79.9Confident78Confident72 Ų7269.1 Ų69.128%0.28236%0.361SS..EExtended strand (participates in β ladder)trans-102.993.8-175.1-59.1-72.5000110.5R251 S261 F262 R265R251-Y253 PolarHBondContact O-N 3.46Å; Y253-S261 CarbonylContact O-C 3.34Å; Y253-S261 WeakPolarHBondContact O-CA 3.23Å; Y253-F262 PolarHBondContact N-O 3.01Å; Y253-F262 VanDerWaalsContact N-O 3.15Å; Y253-F262 PolarHBondContact O-N 3.41Å; Y253-R265 HydrophobicContact CD1-CB 4.17Å; Y253-R265 HydrophobicContact CE1-CB 3.85Å; Y253-R265 HydrophobicContact CE1-CG 4.32Å; Y253-R265 HydrophobicContact CE2-CB 4.27Å
254K78.1Confident78Confident106 Ų10671.1 Ų71.146%0.46137%0.37SS..EExtended strand (participates in β ladder)trans-83.4142.3175.358.8-179.6178.4179.20112.2E141E141-K254 IonicContact OE1-NZ 2.68Å; E141-K254 PolarHBondContact OE1-NZ 2.98Å
255C80.6Confident78.1Confident3 Ų376.1 Ų76.12%0.0239%0.388CS..  trans-84120.5168.9-177.20000109.1L257 E259 K260 F262 L268 H271 L272 H276C255-L257 PolarHBondContact O-N 2.79Å; C255-L257 VanDerWaalsContact O-N 3.17Å; C255-E259 WeakPolarHBondContact O-CA 3.45Å; C255-E259 PolarHBondContact O-N 2.79Å; C255-K260 HydrophobicContact CB-CB 4.48Å; C255-K260 WeakPolarHBondContact CB-O 3.41Å; C255-K260 PolarHBondContact N-O 2.83Å; C255-F262 HydrophobicContact CB-CE2 4.39Å; C255-L268 HydrophobicContact CB-CD1 3.75Å; C255-H271 VanDerWaalsContact SG-CD2 3.58Å; C255-H271 PolarHBondContact SG-NE2 3.01Å; C255-L272 VanDerWaalsContact SG-CD2 3.57Å; C255-H276 VanDerWaalsContact SG-CD2 3.56Å; C255-H276 PolarHBondContact SG-NE2 2.95Å; C255-H276 VanDerWaalsContact SG-NE2 3.44Å
256D78.3Confident78.1Confident144 Ų14477.2 Ų77.277%0.7740%0.401SS*.THydrogen-bonded Turntrans-68.7-12.1-179.5-58.3-35.5000113
257L77Confident78.3Confident99 Ų9975.2 Ų75.252%0.51839%0.39SS..THydrogen-bonded Turntrans-105.2-23.2-174.5-61.5174.4000114.5C255 L272 H276 V278C255-L257 PolarHBondContact O-N 2.79Å; C255-L257 VanDerWaalsContact O-N 3.17Å; L257-L272 HydrophobicContact CD1-CD2 4.31Å; L257-H276 WeakPolarHBondContact CB-CE1 3.43Å; L257-H276 WeakPolarHBondContact CB-ND1 3.44Å; L257-H276 HydrophobicContact CD1-CB 3.47Å; L257-H276 VanDerWaalsContact CD1-CB 3.47Å; L257-H276 VanDerWaalsContact CD1-CG 3.44Å; L257-V278 HydrophobicContact CD1-CB 4.36Å; L257-V278 HydrophobicContact CD1-CG2 3.67Å
258C77.2Confident78.8Confident42 Ų4272.8 Ų72.828%0.28438%0.38SS..THydrogen-bonded Turntrans-140.819177.269.20000114.6K260 H271 H276C258-K260 PolarHBondContact O-N 3.24Å; C258-H271 PolarHBondContact SG-CE1 3.27Å; C258-H271 PolarHBondContact SG-NE2 3.16Å; C258-H276 PolarHBondContact SG-NE2 3.11Å
259E75.5Confident79.2Confident178 Ų17872.9 Ų72.983%0.83238%0.376SS*.  trans56.57.7176.2-58.6-176.7173.100115C255 S261C255-E259 WeakPolarHBondContact O-CA 3.45Å; C255-E259 PolarHBondContact O-N 2.79Å; E259-S261 PolarHBondContact O-N 3.16Å
260K78.2Confident79.6Confident115 Ų11573.4 Ų73.450%0.537%0.372SS..  trans-72.9118.7176.4-71.9-179.6-174.4175.40109.9C255 C258 F262C255-K260 HydrophobicContact CB-CB 4.48Å; C255-K260 WeakPolarHBondContact CB-O 3.41Å; C255-K260 PolarHBondContact N-O 2.83Å; C258-K260 PolarHBondContact O-N 3.24Å; K260-F262 HydrophobicContact CB-CE2 3.87Å; K260-F262 HydrophobicContact CB-CZ 4.01Å; K260-F262 WeakPolarHBondContact O-CD2 3.03Å; K260-F262 VanDerWaalsContact O-CE2 3.29Å; K260-F262 WeakPolarHBondContact O-CE2 3.48Å
261S80.9Confident80Confident44 Ų4472.3 Ų72.331%0.30837%0.365SS..EExtended strand (participates in β ladder)trans-83.9154.6172.8-54.60000111.1R251 Y253 E259R251-S261 VanDerWaalsContact CB-CB 3.44Å; R251-S261 VanDerWaalsContact NE-C 3.28Å; R251-S261 PolarHBondContact NE-O 3.15Å; R251-S261 PolarHBondContact NH2-O 3.09Å; Y253-S261 CarbonylContact O-C 3.34Å; Y253-S261 WeakPolarHBondContact O-CA 3.23Å; E259-S261 PolarHBondContact O-N 3.16Å
262F80.1Confident80.2Confident29 Ų2967 Ų6713%0.12735%0.346CS..EExtended strand (participates in β ladder)trans-137.1152.2177.9-63.3-87000111.4R251 P252 Y253 C255 K260 L268 H271R251-F262 CarbonylContact C-O 3.47Å; R251-F262 VanDerWaalsContact C-O 3.24Å; R251-F262 VanDerWaalsContact CA-O 3.25Å; R251-F262 WeakPolarHBondContact CA-O 3.36Å; P252-F262 WeakPolarHBondContact CD-O 3.38Å; Y253-F262 PolarHBondContact N-O 3.01Å; Y253-F262 VanDerWaalsContact N-O 3.15Å; Y253-F262 PolarHBondContact O-N 3.41Å; C255-F262 HydrophobicContact CB-CE2 4.39Å; K260-F262 HydrophobicContact CB-CE2 3.87Å; K260-F262 HydrophobicContact CB-CZ 4.01Å; K260-F262 WeakPolarHBondContact O-CD2 3.03Å; K260-F262 VanDerWaalsContact O-CE2 3.29Å; K260-F262 WeakPolarHBondContact O-CE2 3.48Å; F262-L268 HydrophobicContact CB-CB 4.35Å; F262-L268 HydrophobicContact CD2-CB 3.96Å; F262-L268 HydrophobicContact CD2-CD1 3.65Å; F262-L268 HydrophobicContact CD2-CG 4.44Å; F262-L268 HydrophobicContact CE2-CD1 3.92Å; F262-L268 HydrophobicContact CG-CB 4.34Å; F262-H271 HydrophobicContact CE1-CB 3.95Å; F262-H271 HydrophobicContact CE2-CB 3.75Å; F262-H271 AromaticContact CE2-CD2 3.38Å; F262-H271 WeakPolarHBondContact CE2-CD2 3.33Å; F262-H271 AromaticContact CE2-CG 3.47Å; F262-H271 VanDerWaalsContact CE2-CG 3.47Å; F262-H271 HydrophobicContact CZ-CB 3.37Å; F262-H271 AromaticContact CZ-CD2 3.6Å; F262-H271 AromaticContact CZ-CG 3.17Å; F262-H271 AromaticContact CZ-ND1 3.57Å
263T78.5Confident80.5Confident34 Ų3468.7 Ų68.721%0.20935%0.346CS..SBendtrans-79.5-22.5179.554.60000113.2R251R251-T263 HydrophobicContact CG-CG2 3.81Å
264Q80.6Confident80.6Confident67 Ų6773.7 Ų73.731%0.31337%0.369SS..SBendtrans-134146.2-176.6-56.6-17722.100111.3R242 C266 S267 L268R242-Q264 HydrophobicContact CG-CG 4.43Å; Q264-C266 PolarHBondContact O-N 3.09Å; Q264-C266 PolarHBondContact OE1-SG 3.47Å; Q264-C266 VanDerWaalsContact OE1-SG 3.41Å; Q264-S267 WeakPolarHBondContact O-CB 3.48Å; Q264-S267 PolarHBondContact O-N 3.47Å; Q264-L268 PolarHBondContact O-N 3.27Å
265R80.7Confident80.9Confident120 Ų12072.7 Ų72.745%0.45337%0.372SS..Hα-helixtrans-62.8-40.7179.1-173.8175.4179.5148.9-0.6112.7Y253 S267 L268 E269Y253-R265 HydrophobicContact CD1-CB 4.17Å; Y253-R265 HydrophobicContact CE1-CB 3.85Å; Y253-R265 HydrophobicContact CE1-CG 4.32Å; Y253-R265 HydrophobicContact CE2-CB 4.27Å; R265-S267 VanDerWaalsContact C-N 3.25Å; R265-S267 PolarHBondContact O-N 3.2Å; R265-L268 WeakPolarHBondContact O-CB 3.45Å; R265-L268 PolarHBondContact O-N 3.06Å; R265-L268 VanDerWaalsContact O-N 3.16Å; R265-E269 PolarHBondContact O-N 2.91Å
266C80.3Confident80.8Confident65 Ų6575.2 Ų75.244%0.43938%0.383SS..Hα-helixtrans-63.3-31.5177.554.70000112.7Q264 S270Q264-C266 PolarHBondContact O-N 3.09Å; Q264-C266 PolarHBondContact OE1-SG 3.47Å; Q264-C266 VanDerWaalsContact OE1-SG 3.41Å; C266-S270 VanDerWaalsContact O-CB 3.31Å; C266-S270 WeakPolarHBondContact O-CB 3.29Å; C266-S270 PolarHBondContact O-N 3.34Å; C266-S270 PolarHBondContact O-OG 3.01Å
267S83Confident80.7Confident44 Ų4471.2 Ų71.231%0.30838%0.376SS..Hα-helixtrans-69.9-40.3174.2-54.20000111.5Q264 R265 H271Q264-S267 WeakPolarHBondContact O-CB 3.48Å; Q264-S267 PolarHBondContact O-N 3.47Å; R265-S267 VanDerWaalsContact C-N 3.25Å; R265-S267 PolarHBondContact O-N 3.2Å; S267-H271 WeakPolarHBondContact O-CB 3.13Å; S267-H271 PolarHBondContact O-N 3.14Å
268L84.8Confident80.2Confident25 Ų2569.6 Ų69.613%0.13137%0.37CS..Hα-helixtrans-63-46.2172.7176.168.3000111.2C255 F262 Q264 R265 H271 L272C255-L268 HydrophobicContact CB-CD1 3.75Å; F262-L268 HydrophobicContact CB-CB 4.35Å; F262-L268 HydrophobicContact CD2-CB 3.96Å; F262-L268 HydrophobicContact CD2-CD1 3.65Å; F262-L268 HydrophobicContact CD2-CG 4.44Å; F262-L268 HydrophobicContact CE2-CD1 3.92Å; F262-L268 HydrophobicContact CG-CB 4.34Å; Q264-L268 PolarHBondContact O-N 3.27Å; R265-L268 WeakPolarHBondContact O-CB 3.45Å; R265-L268 PolarHBondContact O-N 3.06Å; R265-L268 VanDerWaalsContact O-N 3.16Å; L268-H271 CarbonylContact O-C 3.24Å; L268-H271 WeakPolarHBondContact O-CA 3.03Å; L268-H271 WeakPolarHBondContact O-CB 3.33Å; L268-H271 PolarHBondContact O-N 3.05Å; L268-H271 VanDerWaalsContact O-N 3.13Å; L268-L272 HydrophobicContact CD1-CD1 4.39Å; L268-L272 HydrophobicContact CD1-CG 4.27Å; L268-L272 HydrophobicContact CG-CD1 4.07Å; L268-L272 HydrophobicContact CG-CG 4.37Å; L268-L272 WeakPolarHBondContact O-CG 3.36Å; L268-L272 PolarHBondContact O-N 3.25Å
269E82.3Confident79.5Confident59 Ų5972.6 Ų72.628%0.27638%0.38SS..Hα-helixtrans-62.2-44.9178.8-173.3176.7-178.600111.8R265 H271 L272 K273R265-E269 PolarHBondContact O-N 2.91Å; E269-H271 PolarHBondContact O-N 2.81Å; E269-L272 PolarHBondContact O-N 3.28Å; E269-K273 WeakPolarHBondContact O-CB 3.22Å; E269-K273 PolarHBondContact O-N 3.03Å
270S82.8Confident78.7Confident61 Ų6168 Ų6843%0.42736%0.358SS..Hα-helixtrans-61.6-36173.7-61.10000111.9C266 K274C266-S270 VanDerWaalsContact O-CB 3.31Å; C266-S270 WeakPolarHBondContact O-CB 3.29Å; C266-S270 PolarHBondContact O-N 3.34Å; C266-S270 PolarHBondContact O-OG 3.01Å; S270-K274 VanDerWaalsContact O-CB 3.25Å; S270-K274 WeakPolarHBondContact O-CB 3.36Å; S270-K274 WeakPolarHBondContact O-CG 3.31Å; S270-K274 PolarHBondContact O-N 3.05Å
271H83.8Confident77.5Confident16 Ų1672.4 Ų72.47%0.07438%0.377CS..Hα-helixtrans-69.7-46.4176.4164.373000112C255 C258 F262 S267 L268 E269 K273 K274 V275 H276C255-H271 VanDerWaalsContact SG-CD2 3.58Å; C255-H271 PolarHBondContact SG-NE2 3.01Å; C258-H271 PolarHBondContact SG-CE1 3.27Å; C258-H271 PolarHBondContact SG-NE2 3.16Å; F262-H271 HydrophobicContact CE1-CB 3.95Å; F262-H271 HydrophobicContact CE2-CB 3.75Å; F262-H271 AromaticContact CE2-CD2 3.38Å; F262-H271 WeakPolarHBondContact CE2-CD2 3.33Å; F262-H271 AromaticContact CE2-CG 3.47Å; F262-H271 VanDerWaalsContact CE2-CG 3.47Å; F262-H271 HydrophobicContact CZ-CB 3.37Å; F262-H271 AromaticContact CZ-CD2 3.6Å; F262-H271 AromaticContact CZ-CG 3.17Å; F262-H271 AromaticContact CZ-ND1 3.57Å; S267-H271 WeakPolarHBondContact O-CB 3.13Å; S267-H271 PolarHBondContact O-N 3.14Å; L268-H271 CarbonylContact O-C 3.24Å; L268-H271 WeakPolarHBondContact O-CA 3.03Å; L268-H271 WeakPolarHBondContact O-CB 3.33Å; L268-H271 PolarHBondContact O-N 3.05Å; L268-H271 VanDerWaalsContact O-N 3.13Å; E269-H271 PolarHBondContact O-N 2.81Å; H271-K273 VanDerWaalsContact C-N 3.3Å; H271-K273 PolarHBondContact O-N 3.42Å; H271-K274 PolarHBondContact O-N 3.38Å; H271-V275 WeakPolarHBondContact ND1-CG2 3.27Å; H271-V275 VanDerWaalsContact O-CB 3.31Å; H271-V275 WeakPolarHBondContact O-CB 3.42Å; H271-V275 PolarHBondContact O-N 2.92Å; H271-H276 AromaticContact CE1-NE2 3.85Å; H271-H276 AromaticContact NE2-CD2 3.58Å; H271-H276 AromaticContact NE2-NE2 3.43Å; H271-H276 PolarHBondContact NE2-NE2 3.17Å
272L83.1Confident76.1Confident17 Ų1778.1 Ų78.19%0.08939%0.393CS..Iπ-helixtrans-58.6-43.8176.2-72.5170.4000110.9C255 L257 L268 E269 H276 G277 V278 H280C255-L272 VanDerWaalsContact SG-CD2 3.57Å; L257-L272 HydrophobicContact CD1-CD2 4.31Å; L268-L272 HydrophobicContact CD1-CD1 4.39Å; L268-L272 HydrophobicContact CD1-CG 4.27Å; L268-L272 HydrophobicContact CG-CD1 4.07Å; L268-L272 HydrophobicContact CG-CG 4.37Å; L268-L272 WeakPolarHBondContact O-CG 3.36Å; L268-L272 PolarHBondContact O-N 3.25Å; E269-L272 PolarHBondContact O-N 3.28Å; L272-H276 CarbonylContact O-C 3.57Å; L272-H276 WeakPolarHBondContact O-CA 3.24Å; L272-H276 WeakPolarHBondContact O-CB 3.39Å; L272-H276 PolarHBondContact O-N 3.1Å; L272-G277 PolarHBondContact O-N 3.2Å; L272-V278 CarbonylContact C-O 3.53Å; L272-V278 WeakPolarHBondContact CB-O 3.41Å; L272-V278 PolarHBondContact O-N 3.24Å; L272-V278 VanDerWaalsContact O-N 3.08Å; L272-H280 HydrophobicContact CD1-CB 4.25Å
273K84.2Confident74.2Confident102 Ų10279.1 Ų79.144%0.44341%0.407SS..Iπ-helixtrans-64.5-46.1176.2-173.6171.2-176.1127.30112.8E269 H271 G277 E279E269-K273 WeakPolarHBondContact O-CB 3.22Å; E269-K273 PolarHBondContact O-N 3.03Å; H271-K273 VanDerWaalsContact C-N 3.3Å; H271-K273 PolarHBondContact O-N 3.42Å; K273-G277 PolarHBondContact O-N 3.49Å; K273-E279 WeakPolarHBondContact CD-OE1 3.17Å; K273-E279 WeakPolarHBondContact CE-OE1 3.32Å; K273-E279 IonicContact NZ-OE1 3.85Å; K273-E279 PolarHBondContact NZ-OE1 3.41Å; K273-E279 IonicContact NZ-OE2 2.77Å
274K83.3Confident72.5Confident178 Ų17886.2 Ų86.277%0.77443%0.431SS*.Iπ-helixtrans-79-35.7-174.6-73.4-180179.2-173.50114.4S270 H271S270-K274 VanDerWaalsContact O-CB 3.25Å; S270-K274 WeakPolarHBondContact O-CB 3.36Å; S270-K274 WeakPolarHBondContact O-CG 3.31Å; S270-K274 PolarHBondContact O-N 3.05Å; H271-K274 PolarHBondContact O-N 3.38Å
275V82.8Confident70.7Confident84 Ų8492.2 Ų92.251%0.50946%0.456SS..Iπ-helixtrans-101.9-37.5-171.6-1790000111.4H271H271-V275 WeakPolarHBondContact ND1-CG2 3.27Å; H271-V275 VanDerWaalsContact O-CB 3.31Å; H271-V275 WeakPolarHBondContact O-CB 3.42Å; H271-V275 PolarHBondContact O-N 2.92Å
276H78.6Confident68.9Low57 Ų5792.6 Ų92.626%0.26446%0.463SS..Iπ-helixtrans-109.9-9.1-174.5-63.2-67.3000113.9C255 L257 C258 H271 L272 V278C255-H276 VanDerWaalsContact SG-CD2 3.56Å; C255-H276 PolarHBondContact SG-NE2 2.95Å; C255-H276 VanDerWaalsContact SG-NE2 3.44Å; L257-H276 WeakPolarHBondContact CB-CE1 3.43Å; L257-H276 WeakPolarHBondContact CB-ND1 3.44Å; L257-H276 HydrophobicContact CD1-CB 3.47Å; L257-H276 VanDerWaalsContact CD1-CB 3.47Å; L257-H276 VanDerWaalsContact CD1-CG 3.44Å; C258-H276 PolarHBondContact SG-NE2 3.11Å; H271-H276 AromaticContact CE1-NE2 3.85Å; H271-H276 AromaticContact NE2-CD2 3.58Å; H271-H276 AromaticContact NE2-NE2 3.43Å; H271-H276 PolarHBondContact NE2-NE2 3.17Å; L272-H276 CarbonylContact O-C 3.57Å; L272-H276 WeakPolarHBondContact O-CA 3.24Å; L272-H276 WeakPolarHBondContact O-CB 3.39Å; L272-H276 PolarHBondContact O-N 3.1Å; H276-V278 HydrophobicContact CB-CB 4.31Å; H276-V278 HydrophobicContact CB-CG2 3.98Å; H276-V278 PolarHBondContact O-N 3.45Å; H276-V278 VanDerWaalsContact O-N 3.1Å
277G75.9Confident67.3Low60 Ų6099 Ų9962%0.61948%0.478SS*.  trans60.815-171.600000113.4L272 K273L272-G277 PolarHBondContact O-N 3.2Å; K273-G277 PolarHBondContact O-N 3.49Å
278V66.9Low65.4Low64 Ų64104.8 Ų104.839%0.38849%0.493SS..  trans-91.9113.2-177.5176.80000109.2L257 L272 H276 H280L257-V278 HydrophobicContact CD1-CB 4.36Å; L257-V278 HydrophobicContact CD1-CG2 3.67Å; L272-V278 CarbonylContact C-O 3.53Å; L272-V278 WeakPolarHBondContact CB-O 3.41Å; L272-V278 PolarHBondContact O-N 3.24Å; L272-V278 VanDerWaalsContact O-N 3.08Å; H276-V278 HydrophobicContact CB-CB 4.31Å; H276-V278 HydrophobicContact CB-CG2 3.98Å; H276-V278 PolarHBondContact O-N 3.45Å; H276-V278 VanDerWaalsContact O-N 3.1Å; V278-H280 PolarHBondContact O-N 3.19Å
279E63.6Low64.1Low105 Ų105107.5 Ų107.549%0.49151%0.514SS..  trans-79.9111.1168.2-66.5-77.3153.900108.1K273K273-E279 WeakPolarHBondContact CD-OE1 3.17Å; K273-E279 WeakPolarHBondContact CE-OE1 3.32Å; K273-E279 IonicContact NZ-OE1 3.85Å; K273-E279 PolarHBondContact NZ-OE1 3.41Å; K273-E279 IonicContact NZ-OE2 2.77Å
280H57.3Low63.4Low82 Ų82109.6 Ų109.638%0.3852%0.522SS..  trans-72.4130.8175.2-174.5-102.4000109.5L272 V278 Y282 A283L272-H280 HydrophobicContact CD1-CB 4.25Å; V278-H280 PolarHBondContact O-N 3.19Å; H280-Y282 AromaticContact CE1-CD2 3.38Å; H280-Y282 WeakPolarHBondContact CE1-CD2 3.21Å; H280-Y282 AromaticContact ND1-CD2 3.79Å; H280-Y282 CarbonylContact O-C 3.36Å; H280-Y282 PolarHBondContact O-N 2.76Å; H280-A283 PolarHBondContact O-N 2.87Å; H280-A283 VanDerWaalsContact O-N 3.07Å
281K54Low63.2Low207 Ų207109.6 Ų109.690%0.952%0.517SS*.SBendtrans-55.6-13.2-171.3-67.7-177.5178.3179.40115.9A283K281-A283 VanDerWaalsContact C-N 3.31Å; K281-A283 PolarHBondContact O-N 3.34Å
282Y50.6Low62.9Low165 Ų165110.6 Ų110.665%0.64752%0.52SS*.  trans-96.551.1170-62.1-90000111.2H280 Y284H280-Y282 AromaticContact CE1-CD2 3.38Å; H280-Y282 WeakPolarHBondContact CE1-CD2 3.21Å; H280-Y282 AromaticContact ND1-CD2 3.79Å; H280-Y282 CarbonylContact O-C 3.36Å; H280-Y282 PolarHBondContact O-N 2.76Å; Y282-Y284 PolarHBondContact O-N 3.07Å
283A41.4Very low62.8Low50 Ų50112.6 Ų112.641%0.41353%0.533SS..  trans-62.3108.4163.400000106.7H280 K281 K285H280-A283 PolarHBondContact O-N 2.87Å; H280-A283 VanDerWaalsContact O-N 3.07Å; K281-A283 VanDerWaalsContact C-N 3.31Å; K281-A283 PolarHBondContact O-N 3.34Å; A283-K285 PolarHBondContact O-N 3.45Å
284Y43.4Very low62.7Low183 Ų183108 Ų10872%0.71851%0.513SS*.  trans-53.4111.1161.9171.6-94.4000105.5Y282 E286Y282-Y284 PolarHBondContact O-N 3.07Å; Y284-E286 PolarHBondContact O-N 3.24Å
285K42.5Very low62.4Low192 Ų192106.4 Ų106.484%0.83551%0.509SS*.  trans-30.7104.4-172.5-75.2178.2-179.71760108.7A283 R287A283-K285 PolarHBondContact O-N 3.45Å; K285-R287 PolarHBondContact O-N 3.43Å
286E42.7Very low62.2Low129 Ų129106.3 Ų106.360%0.60351%0.505SS*.  trans-43.2116.8179.1-173.2169.7-146.200105.9Y284 R288Y284-E286 PolarHBondContact O-N 3.24Å; E286-R288 PolarHBondContact O-N 3.49Å
287R45.4Very low62.3Low200 Ų200106.8 Ų106.876%0.75551%0.514SS*.  trans-69.182.8172.6-159.5-169.9-63.3161.40.2102.9K285 S289K285-R287 PolarHBondContact O-N 3.43Å; R287-S289 PolarHBondContact O-N 2.98Å
288R43.9Very low62.6Low165 Ų165106.2 Ų106.262%0.62351%0.508SS*.  trans-25.6117.3-171.6-77.8176.1168.9137.6-1.3108.3E286 K290E286-R288 PolarHBondContact O-N 3.49Å; R288-K290 VanDerWaalsContact C-N 3.29Å; R288-K290 WeakPolarHBondContact O-CG 3.41Å; R288-K290 PolarHBondContact O-N 3.24Å
289S57.8Low63.4Low81 Ų81106.8 Ų106.857%0.56651%0.506SS*.  trans-43.499.6173.5-46.20000107.5R287 I291R287-S289 PolarHBondContact O-N 2.98Å; S289-I291 PolarHBondContact O-N 3Å
290K67.8Low64.3Low104 Ų104106 Ų10645%0.45251%0.508SS..  trans-73.9108.4-175.2-74.3-175-179.6-1750104.9R288 Y292R288-K290 VanDerWaalsContact C-N 3.29Å; R288-K290 WeakPolarHBondContact O-CG 3.41Å; R288-K290 PolarHBondContact O-N 3.24Å; K290-Y292 HydrophobicContact CB-CE2 4.02Å; K290-Y292 WeakPolarHBondContact O-CD2 3.3Å; K290-Y292 WeakPolarHBondContact O-CE2 3.46Å; K290-Y292 PolarHBondContact O-N 3.36Å
291I78.3Confident65.5Low61 Ų61102.6 Ų102.631%0.31349%0.493SS..  trans-75.7119.3169.5-56.3172.4000106S289 V293 T300 S301S289-I291 PolarHBondContact O-N 3Å; I291-V293 HydrophobicContact CG2-CG2 4.11Å; I291-T300 HydrophobicContact CG2-CG2 4.45Å; I291-S301 CarbonylContact C-O 3.49Å; I291-S301 WeakPolarHBondContact CA-O 3.45Å
292Y77.2Confident66.7Low37 Ų3797.9 Ų97.915%0.14548%0.482CS..EExtended strand (participates in β ladder)trans-92121.5172.8-59.3-87.8000107.7K290 T300 S301 I304 Y307K290-Y292 HydrophobicContact CB-CE2 4.02Å; K290-Y292 WeakPolarHBondContact O-CD2 3.3Å; K290-Y292 WeakPolarHBondContact O-CE2 3.46Å; K290-Y292 PolarHBondContact O-N 3.36Å; Y292-T300 CarbonylContact O-C 3.58Å; Y292-T300 VanDerWaalsContact O-CA 3.3Å; Y292-T300 WeakPolarHBondContact O-CA 3.39Å; Y292-S301 PolarHBondContact N-O 3.02Å; Y292-S301 PolarHBondContact O-N 3.39Å; Y292-I304 HydrophobicContact CD1-CG1 4.31Å; Y292-I304 HydrophobicContact CD2-CB 4.31Å; Y292-I304 HydrophobicContact CE1-CB 4.19Å; Y292-I304 HydrophobicContact CE1-CD1 3.85Å; Y292-I304 HydrophobicContact CE1-CG1 3.69Å; Y292-I304 HydrophobicContact CE2-CB 3.6Å; Y292-I304 HydrophobicContact CE2-CG1 4.05Å; Y292-Y307 HydrophobicContact CD1-CD1 4.09Å; Y292-Y307 HydrophobicContact CD1-CE1 4.5Å; Y292-Y307 HydrophobicContact CD1-CG 4.37Å; Y292-Y307 HydrophobicContact CG-CD1 4.2Å; Y292-Y307 HydrophobicContact CG-CG 4.02Å
293V81Confident68.2Low59 Ų5991.5 Ų91.536%0.35846%0.464SS..EExtended strand (participates in β ladder)trans-111.4131.1177.9-172.20000108.1I291 F299 T300I291-V293 HydrophobicContact CG2-CG2 4.11Å; V293-F299 CarbonylContact C-O 2.96Å; V293-F299 VanDerWaalsContact CA-O 3.31Å; V293-F299 WeakPolarHBondContact CA-O 3.5Å; V293-T300 HydrophobicContact CB-CG2 4.36Å; V293-T300 HydrophobicContact CG1-CG2 4.03Å; V293-T300 HydrophobicContact CG2-CG2 3.79Å
294C82.2Confident70.1Confident4 Ų492.6 Ų92.63%0.02746%0.462CS..  trans-82.5123.1172.1-167.30000109.3D296 C297 G298 F299 Y307 H310 H315C294-D296 VanDerWaalsContact C-N 3.25Å; C294-D296 PolarHBondContact O-N 2.98Å; C294-C297 VanDerWaalsContact CB-SG 3.6Å; C294-G298 WeakPolarHBondContact O-CA 3.2Å; C294-G298 PolarHBondContact O-N 2.73Å; C294-F299 HydrophobicContact CB-CB 4.04Å; C294-F299 PolarHBondContact N-O 3.3Å; C294-Y307 HydrophobicContact CB-CE2 4.04Å; C294-H310 VanDerWaalsContact CB-NE2 3.28Å; C294-H310 WeakPolarHBondContact CB-NE2 3.42Å; C294-H310 PolarHBondContact SG-NE2 3.23Å; C294-H315 PolarHBondContact SG-CD2 2.81Å
295E77.4Confident71.9Confident146 Ų14689.5 Ų89.568%0.68246%0.457SS*.THydrogen-bonded Turntrans-69.8-26.3-179.8-65.3-178.1163.700111.8
296D79.1Confident73.8Confident82 Ų8284.7 Ų84.744%0.43944%0.44SS..THydrogen-bonded Turntrans-81.6-26-174.7-62.4-25.6000113.2C294 H315 T318C294-D296 VanDerWaalsContact C-N 3.25Å; C294-D296 PolarHBondContact O-N 2.98Å; D296-H315 WeakPolarHBondContact CB-CE1 3.4Å; D296-H315 WeakPolarHBondContact CB-ND1 3.33Å; D296-H315 IonicContact OD2-CE1 3.99Å; D296-H315 IonicContact OD2-CG 2.98Å; D296-H315 IonicContact OD2-ND1 3.3Å; D296-H315 PolarHBondContact OD2-ND1 3.24Å; D296-T318 VanDerWaalsContact OD2-CB 3.24Å; D296-T318 WeakPolarHBondContact OD2-CB 3.46Å; D296-T318 VanDerWaalsContact OD2-CG2 3.29Å; D296-T318 WeakPolarHBondContact OD2-CG2 3.4Å; D296-T318 PolarHBondContact OD2-OG1 3.26Å
297C80.5Confident75.8Confident67 Ų6779.1 Ų79.145%0.45341%0.414SS..THydrogen-bonded Turntrans-140.90.6-174.865.60000115.1C294 F299 H310 H315C294-C297 VanDerWaalsContact CB-SG 3.6Å; C297-F299 PolarHBondContact O-N 3.33Å; C297-F299 VanDerWaalsContact SG-CB 3.56Å; C297-H310 PolarHBondContact SG-CE1 2.66Å; C297-H310 PolarHBondContact SG-NE2 3.41Å; C297-H315 PolarHBondContact SG-NE2 3.05Å; C297-H315 VanDerWaalsContact SG-NE2 3.38Å
298G81.9Confident77.6Confident47 Ų4772.7 Ų72.749%0.48539%0.394SS..  trans73.16-178.800000115.3C294 T300C294-G298 WeakPolarHBondContact O-CA 3.2Å; C294-G298 PolarHBondContact O-N 2.73Å; G298-T300 PolarHBondContact O-N 3.01Å
299F84.1Confident79.6Confident76 Ų7671 Ų7133%0.33339%0.393SS..  trans-60.2124.8179.7-179.7-102.8000111.4V293 C294 C297 I306 H310V293-F299 CarbonylContact C-O 2.96Å; V293-F299 VanDerWaalsContact CA-O 3.31Å; V293-F299 WeakPolarHBondContact CA-O 3.5Å; C294-F299 HydrophobicContact CB-CB 4.04Å; C294-F299 PolarHBondContact N-O 3.3Å; C297-F299 PolarHBondContact O-N 3.33Å; C297-F299 VanDerWaalsContact SG-CB 3.56Å; F299-I306 HydrophobicContact CE1-CG2 3.99Å; F299-I306 HydrophobicContact CZ-CG2 3.84Å; F299-H310 VanDerWaalsContact CB-CE1 3.49Å; F299-H310 WeakPolarHBondContact CB-CE1 3.43Å; F299-H310 HydrophobicContact CD1-CB 3.84Å; F299-H310 AromaticContact CD1-CD2 3.73Å; F299-H310 AromaticContact CD1-CG 3.41Å; F299-H310 VanDerWaalsContact CD1-CG 3.41Å; F299-H310 AromaticContact CD1-ND1 3.66Å; F299-H310 HydrophobicContact CE1-CB 3.82Å; F299-H310 AromaticContact CE1-CG 3.91Å; F299-H310 AromaticContact CG-CE1 3.86Å; F299-H310 AromaticContact CG-CG 3.87Å; F299-H310 AromaticContact CG-ND1 3.63Å
300T82.4Confident80.9Confident90 Ų9067.9 Ų67.955%0.55237%0.37SS*.EExtended strand (participates in β ladder)trans-108.6133.8179.159.20000110.2I291 Y292 V293 G298I291-T300 HydrophobicContact CG2-CG2 4.45Å; Y292-T300 CarbonylContact O-C 3.58Å; Y292-T300 VanDerWaalsContact O-CA 3.3Å; Y292-T300 WeakPolarHBondContact O-CA 3.39Å; V293-T300 HydrophobicContact CB-CG2 4.36Å; V293-T300 HydrophobicContact CG1-CG2 4.03Å; V293-T300 HydrophobicContact CG2-CG2 3.79Å; G298-T300 PolarHBondContact O-N 3.01Å
301S81.7Confident81.6Confident9 Ų963.2 Ų63.26%0.06335%0.349CS..EExtended strand (participates in β ladder)trans-138.4140.1176.2174.70000111I291 Y292 A303I291-S301 CarbonylContact C-O 3.49Å; I291-S301 WeakPolarHBondContact CA-O 3.45Å; Y292-S301 PolarHBondContact N-O 3.02Å; Y292-S301 PolarHBondContact O-N 3.39Å; S301-A303 PolarHBondContact OG-N 3.43Å; S301-A303 VanDerWaalsContact OG-N 3.11Å; S301-A303 PolarHBondContact OG-O 3.43Å
302T79.8Confident81.9Confident109 Ų10966.7 Ų66.767%0.66936%0.362SS*.SBendtrans-84.8-16.3172.453.40000112.8
303A81Confident82.1Confident31 Ų3169.3 Ų69.326%0.25638%0.383SS..SBendtrans-106.4131.4176.800000110.8S301 D305 I306 Y307S301-A303 PolarHBondContact OG-N 3.43Å; S301-A303 VanDerWaalsContact OG-N 3.11Å; S301-A303 PolarHBondContact OG-O 3.43Å; A303-D305 PolarHBondContact O-N 3.17Å; A303-I306 HydrophobicContact CB-CB 4.46Å; A303-I306 HydrophobicContact CB-CD1 4.03Å; A303-I306 HydrophobicContact CB-CG1 4.09Å; A303-I306 PolarHBondContact O-N 2.97Å; A303-Y307 PolarHBondContact O-N 2.98Å
304I81.3Confident82Confident73 Ų7371.9 Ų71.937%0.37439%0.394SS..Hα-helixtrans-64.2-33.7178.8-162171000111.5Y292 I306 Y307 L308Y292-I304 HydrophobicContact CD1-CG1 4.31Å; Y292-I304 HydrophobicContact CD2-CB 4.31Å; Y292-I304 HydrophobicContact CE1-CB 4.19Å; Y292-I304 HydrophobicContact CE1-CD1 3.85Å; Y292-I304 HydrophobicContact CE1-CG1 3.69Å; Y292-I304 HydrophobicContact CE2-CB 3.6Å; Y292-I304 HydrophobicContact CE2-CG1 4.05Å; I304-I306 PolarHBondContact O-N 3.26Å; I304-Y307 PolarHBondContact O-N 3.4Å; I304-L308 HydrophobicContact CG1-CD1 4.08Å; I304-L308 HydrophobicContact CG1-CG 4.23Å; I304-L308 WeakPolarHBondContact O-CB 3.36Å; I304-L308 VanDerWaalsContact O-CG 3.31Å; I304-L308 WeakPolarHBondContact O-CG 3.4Å; I304-L308 PolarHBondContact O-N 3.31Å
305D80.9Confident81.9Confident117 Ų11773.2 Ų73.263%0.62640%0.399SS*.Hα-helixtrans-65.3-43.8-175.9-47.2-42.8000111.1A303 L308 Q309A303-D305 PolarHBondContact O-N 3.17Å; D305-L308 PolarHBondContact O-N 3.04Å; D305-Q309 WeakPolarHBondContact O-CB 3.42Å; D305-Q309 PolarHBondContact O-N 3.47Å
306I83.4Confident81.7Confident91 Ų9170.2 Ų70.247%0.46739%0.392SS..Hα-helixtrans-66-42.5176.6-59.4176.9000110.3F299 A303 I304 Q309 H310F299-I306 HydrophobicContact CE1-CG2 3.99Å; F299-I306 HydrophobicContact CZ-CG2 3.84Å; A303-I306 HydrophobicContact CB-CB 4.46Å; A303-I306 HydrophobicContact CB-CD1 4.03Å; A303-I306 HydrophobicContact CB-CG1 4.09Å; A303-I306 PolarHBondContact O-N 2.97Å; I304-I306 PolarHBondContact O-N 3.26Å; I306-Q309 PolarHBondContact O-N 3Å; I306-H310 VanDerWaalsContact O-CB 3.3Å; I306-H310 WeakPolarHBondContact O-CB 3.43Å; I306-H310 PolarHBondContact O-N 3.05Å
307Y83.9Confident81.1Confident13 Ų1373 Ų735%0.05141%0.407CS..Hα-helixtrans-62.2-45.3176.5173-100.2000112.1Y292 C294 A303 I304 Q309 H310 T311 Q322Y292-Y307 HydrophobicContact CD1-CD1 4.09Å; Y292-Y307 HydrophobicContact CD1-CE1 4.5Å; Y292-Y307 HydrophobicContact CD1-CG 4.37Å; Y292-Y307 HydrophobicContact CG-CD1 4.2Å; Y292-Y307 HydrophobicContact CG-CG 4.02Å; C294-Y307 HydrophobicContact CB-CE2 4.04Å; A303-Y307 PolarHBondContact O-N 2.98Å; I304-Y307 PolarHBondContact O-N 3.4Å; Y307-Q309 VanDerWaalsContact C-N 3.31Å; Y307-Q309 PolarHBondContact O-N 3.42Å; Y307-H310 WeakPolarHBondContact O-CB 3.39Å; Y307-H310 PolarHBondContact O-N 3.4Å; Y307-T311 HydrophobicContact CD1-CG2 4.39Å; Y307-T311 HydrophobicContact CD2-CG2 4.39Å; Y307-T311 HydrophobicContact CE1-CG2 3.93Å; Y307-T311 HydrophobicContact CE2-CG2 3.94Å; Y307-T311 WeakPolarHBondContact O-CG2 3.49Å; Y307-T311 PolarHBondContact O-N 3.48Å; Y307-T311 PolarHBondContact O-OG1 2.95Å; Y307-Q322 PolarHBondContact OH-NE2 2.93Å
308L84.2Confident80.6Confident64 Ų6472 Ų7234%0.33540%0.398SS..Hα-helixtrans-65.8-34177.8-72.4173.7000112.5I304 D305 T311 K312I304-L308 HydrophobicContact CG1-CD1 4.08Å; I304-L308 HydrophobicContact CG1-CG 4.23Å; I304-L308 WeakPolarHBondContact O-CB 3.36Å; I304-L308 VanDerWaalsContact O-CG 3.31Å; I304-L308 WeakPolarHBondContact O-CG 3.4Å; I304-L308 PolarHBondContact O-N 3.31Å; D305-L308 PolarHBondContact O-N 3.04Å; L308-T311 PolarHBondContact O-OG1 3.06Å; L308-K312 WeakPolarHBondContact O-CB 3.42Å; L308-K312 WeakPolarHBondContact O-CD 3.46Å; L308-K312 WeakPolarHBondContact O-CG 3.46Å; L308-K312 PolarHBondContact O-N 3.34Å; L308-K312 VanDerWaalsContact O-N 3.14Å
309Q85.1Confident79.7Confident131 Ų13170.3 Ų70.361%0.61238%0.38SS*.Hα-helixtrans-68.4-45.4173.5-173168.8-500110.7D305 I306 Y307 T311 K312 T313D305-Q309 WeakPolarHBondContact O-CB 3.42Å; D305-Q309 PolarHBondContact O-N 3.47Å; I306-Q309 PolarHBondContact O-N 3Å; Y307-Q309 VanDerWaalsContact C-N 3.31Å; Y307-Q309 PolarHBondContact O-N 3.42Å; Q309-T311 PolarHBondContact O-N 3.22Å; Q309-K312 PolarHBondContact O-N 3.49Å; Q309-T313 HydrophobicContact CG-CG2 4.44Å; Q309-T313 WeakPolarHBondContact O-CG2 3.32Å; Q309-T313 PolarHBondContact O-N 2.71Å; Q309-T313 PolarHBondContact O-OG1 3.49Å; Q309-T313 VanDerWaalsContact O-OG1 3.07Å
310H85.1Confident78.6Confident15 Ų1568.9 Ų68.97%0.06938%0.382CS..Hα-helixtrans-55.3-48.6174.8162.780.9000112.4C294 C297 F299 I306 Y307 K312 T313 L314 H315C294-H310 VanDerWaalsContact CB-NE2 3.28Å; C294-H310 WeakPolarHBondContact CB-NE2 3.42Å; C294-H310 PolarHBondContact SG-NE2 3.23Å; C297-H310 PolarHBondContact SG-CE1 2.66Å; C297-H310 PolarHBondContact SG-NE2 3.41Å; F299-H310 VanDerWaalsContact CB-CE1 3.49Å; F299-H310 WeakPolarHBondContact CB-CE1 3.43Å; F299-H310 HydrophobicContact CD1-CB 3.84Å; F299-H310 AromaticContact CD1-CD2 3.73Å; F299-H310 AromaticContact CD1-CG 3.41Å; F299-H310 VanDerWaalsContact CD1-CG 3.41Å; F299-H310 AromaticContact CD1-ND1 3.66Å; F299-H310 HydrophobicContact CE1-CB 3.82Å; F299-H310 AromaticContact CE1-CG 3.91Å; F299-H310 AromaticContact CG-CE1 3.86Å; F299-H310 AromaticContact CG-CG 3.87Å; F299-H310 AromaticContact CG-ND1 3.63Å; I306-H310 VanDerWaalsContact O-CB 3.3Å; I306-H310 WeakPolarHBondContact O-CB 3.43Å; I306-H310 PolarHBondContact O-N 3.05Å; Y307-H310 WeakPolarHBondContact O-CB 3.39Å; Y307-H310 PolarHBondContact O-N 3.4Å; H310-K312 VanDerWaalsContact C-N 3.34Å; H310-K312 PolarHBondContact O-N 3.07Å; H310-T313 PolarHBondContact O-N 3Å; H310-T313 PolarHBondContact O-OG1 3.48Å; H310-L314 PolarHBondContact O-N 2.91Å; H310-H315 AromaticContact CE1-NE2 3.89Å; H310-H315 AromaticContact NE2-CD2 3.47Å; H310-H315 PolarHBondContact NE2-CD2 2.96Å; H310-H315 AromaticContact NE2-NE2 3.65Å
311T83.5Confident77.5Confident5 Ų568.8 Ų68.83%0.03138%0.378CS..Hα-helixtrans-66.1-37.1178.858.20000111.7Y307 L308 Q309 H315Y307-T311 HydrophobicContact CD1-CG2 4.39Å; Y307-T311 HydrophobicContact CD2-CG2 4.39Å; Y307-T311 HydrophobicContact CE1-CG2 3.93Å; Y307-T311 HydrophobicContact CE2-CG2 3.94Å; Y307-T311 WeakPolarHBondContact O-CG2 3.49Å; Y307-T311 PolarHBondContact O-N 3.48Å; Y307-T311 PolarHBondContact O-OG1 2.95Å; L308-T311 PolarHBondContact O-OG1 3.06Å; Q309-T311 PolarHBondContact O-N 3.22Å; T311-H315 CarbonylContact O-C 3.46Å; T311-H315 VanDerWaalsContact O-CA 3.25Å; T311-H315 WeakPolarHBondContact O-CA 3.45Å; T311-H315 WeakPolarHBondContact O-CB 3.29Å; T311-H315 PolarHBondContact O-N 3.37Å
312K83.9Confident76.5Confident134 Ų13471.9 Ų71.958%0.58339%0.391SS*.Hα-helixtrans-65.6-38.6175.6-75170.7-173.8177.90113.1L308 Q309 H310L308-K312 WeakPolarHBondContact O-CB 3.42Å; L308-K312 WeakPolarHBondContact O-CD 3.46Å; L308-K312 WeakPolarHBondContact O-CG 3.46Å; L308-K312 PolarHBondContact O-N 3.34Å; L308-K312 VanDerWaalsContact O-N 3.14Å; Q309-K312 PolarHBondContact O-N 3.49Å; H310-K312 VanDerWaalsContact C-N 3.34Å; H310-K312 PolarHBondContact O-N 3.07Å
313T82.3Confident75.4Confident93 Ų9375.2 Ų75.257%0.57140%0.397SS*.Hα-helixtrans-83.4-41-174.653.20000113.3Q309 H310Q309-T313 HydrophobicContact CG-CG2 4.44Å; Q309-T313 WeakPolarHBondContact O-CG2 3.32Å; Q309-T313 PolarHBondContact O-N 2.71Å; Q309-T313 PolarHBondContact O-OG1 3.49Å; Q309-T313 VanDerWaalsContact O-OG1 3.07Å; H310-T313 PolarHBondContact O-N 3Å; H310-T313 PolarHBondContact O-OG1 3.48Å
314L79Confident74.1Confident113 Ų11380.6 Ų80.659%0.59242%0.42SS*.Hα-helixtrans-102.8-22.9-173.2-65.3177.8000113.1H310H310-L314 PolarHBondContact O-N 2.91Å
315H80.1Confident72.1Confident31 Ų3179 Ų7914%0.14442%0.421CS..  trans-130.754.1-173.9-59.8-59.5000111.7C294 D296 C297 H310 T311 L317 T318 A319C294-H315 PolarHBondContact SG-CD2 2.81Å; D296-H315 WeakPolarHBondContact CB-CE1 3.4Å; D296-H315 WeakPolarHBondContact CB-ND1 3.33Å; D296-H315 IonicContact OD2-CE1 3.99Å; D296-H315 IonicContact OD2-CG 2.98Å; D296-H315 IonicContact OD2-ND1 3.3Å; D296-H315 PolarHBondContact OD2-ND1 3.24Å; C297-H315 PolarHBondContact SG-NE2 3.05Å; C297-H315 VanDerWaalsContact SG-NE2 3.38Å; H310-H315 AromaticContact CE1-NE2 3.89Å; H310-H315 AromaticContact NE2-CD2 3.47Å; H310-H315 PolarHBondContact NE2-CD2 2.96Å; H310-H315 AromaticContact NE2-NE2 3.65Å; T311-H315 CarbonylContact O-C 3.46Å; T311-H315 VanDerWaalsContact O-CA 3.25Å; T311-H315 WeakPolarHBondContact O-CA 3.45Å; T311-H315 WeakPolarHBondContact O-CB 3.29Å; T311-H315 PolarHBondContact O-N 3.37Å; H315-L317 PolarHBondContact O-N 3.3Å; H315-T318 WeakPolarHBondContact CB-OG1 3.41Å; H315-T318 PolarHBondContact O-N 3.42Å; H315-A319 WeakPolarHBondContact O-CB 3.43Å; H315-A319 PolarHBondContact O-N 2.91Å
316P73.1Confident70Confident83 Ų8383.6 Ų83.654%0.53944%0.435SS..Hα-helixtrans-59.7-33.4-173.423.7-33.6000112.8A320P316-A320 WeakPolarHBondContact O-CB 3.22Å; P316-A320 PolarHBondContact O-N 3.5Å
317L66.7Low68.1Low141 Ų14187.7 Ų87.774%0.73845%0.445SS*.Hα-helixtrans-69.4-44.8174.8-69.1171.2000111.8H315 A320 L321H315-L317 PolarHBondContact O-N 3.3Å; L317-A320 PolarHBondContact O-N 2.97Å; L317-L321 WeakPolarHBondContact O-CG 3.35Å; L317-L321 PolarHBondContact O-N 2.98Å
318T68.2Low66Low45 Ų4592.5 Ų92.528%0.27648%0.476SS..Hα-helixtrans-69.3-34.8178.3-17.20000111.7D296 H315 L321 Q322D296-T318 VanDerWaalsContact OD2-CB 3.24Å; D296-T318 WeakPolarHBondContact OD2-CB 3.46Å; D296-T318 VanDerWaalsContact OD2-CG2 3.29Å; D296-T318 WeakPolarHBondContact OD2-CG2 3.4Å; D296-T318 PolarHBondContact OD2-OG1 3.26Å; H315-T318 WeakPolarHBondContact CB-OG1 3.41Å; H315-T318 PolarHBondContact O-N 3.42Å; T318-L321 PolarHBondContact O-N 3.37Å; T318-Q322 PolarHBondContact O-N 3.16Å
319A63.7Low64.2Low13 Ų1391.8 Ų91.811%0.10747%0.474CS..Hα-helixtrans-67.7-33.1172.200000112.7H315H315-A319 WeakPolarHBondContact O-CB 3.43Å; H315-A319 PolarHBondContact O-N 2.91Å
320A61.2Low62.4Low45 Ų4593.7 Ų93.737%0.37248%0.48SS..Hα-helixtrans-71-39.7171.800000111.6P316 L317 K323 I324P316-A320 WeakPolarHBondContact O-CB 3.22Å; P316-A320 PolarHBondContact O-N 3.5Å; L317-A320 PolarHBondContact O-N 2.97Å; A320-K323 WeakPolarHBondContact O-CB 3.43Å; A320-K323 PolarHBondContact O-N 2.9Å; A320-I324 PolarHBondContact O-N 3.42Å
321L59.6Low60.4Low88 Ų8898.6 Ų98.646%0.46150%0.503SS..Hα-helixtrans-68.8-34.8176.7-70.1172.1000113L317 T318 K323 I324 G325L317-L321 WeakPolarHBondContact O-CG 3.35Å; L317-L321 PolarHBondContact O-N 2.98Å; T318-L321 PolarHBondContact O-N 3.37Å; L321-K323 PolarHBondContact O-N 2.89Å; L321-I324 PolarHBondContact O-N 3.38Å; L321-I324 VanDerWaalsContact O-N 3.08Å; L321-G325 PolarHBondContact O-N 3.43Å
322Q60Low58.2Low74 Ų74108 Ų10835%0.34654%0.539SS..Hα-helixtrans-60.3-24.5172.1-88.1-176.5-7.500113.1Y307 T318Y307-Q322 PolarHBondContact OH-NE2 2.93Å; T318-Q322 PolarHBondContact O-N 3.16Å
323K58.2Low56.1Low179 Ų179110.3 Ų110.378%0.77854%0.544SS*.Hα-helixtrans-83.2-22.2175.5-69.3178.6179.8178.10113.7A320 L321A320-K323 WeakPolarHBondContact O-CB 3.43Å; A320-K323 PolarHBondContact O-N 2.9Å; L321-K323 PolarHBondContact O-N 2.89Å
324I53.4Low54Low145 Ų145109.7 Ų109.774%0.74454%0.544SS*.Hα-helixtrans-104.8-25.1-170.9-61.7170.2000112.1A320 L321A320-I324 PolarHBondContact O-N 3.42Å; L321-I324 PolarHBondContact O-N 3.38Å; L321-I324 VanDerWaalsContact O-N 3.08Å
325G37.8Very low52.2Low38 Ų38109.7 Ų109.739%0.39255%0.551SS.*SBendtrans-142.3138.7-177.500000112.8L321 R327L321-G325 PolarHBondContact O-N 3.43Å; G325-R327 PolarHBondContact O-N 2.91Å
326K38.7Very low50.3Low214 Ų214111.2 Ų111.293%0.9357%0.574SS**  trans-56.360.6179.4-59.5169.7179.6172.10114.1T328K326-T328 PolarHBondContact O-N 3.23Å
327R41.8Very low48.7Very low177 Ų177113.1 Ų113.167%0.66859%0.59SS**  trans-83104.4170.2-85.1-174.8157141.5-3.7109.1G325 V329G325-R327 PolarHBondContact O-N 2.91Å; R327-V329 PolarHBondContact O-N 3.46Å
328T41.1Very low47.5Very low114 Ų114113 Ų11370%0.69960%0.595SS**  trans-64.4115.9178.153.40000110.1K326 K330K326-T328 PolarHBondContact O-N 3.23Å; T328-K330 PolarHBondContact O-N 2.91Å; T328-K330 VanDerWaalsContact O-N 3.13Å
329V45.9Very low46.1Very low50 Ų50113.5 Ų113.530%0.30361%0.608SS.*  trans-59.5114.3166.8175.20000107.9R327 H331R327-V329 PolarHBondContact O-N 3.46Å; V329-H331 PolarHBondContact O-N 3.41Å
330K47.4Very low44.7Very low170 Ų170119.3 Ų119.374%0.73965%0.645SS**PPolyproline II helixtrans-71.5128.9174.1-75179.5179.9173.30109.2T328T328-K330 PolarHBondContact O-N 2.91Å; T328-K330 VanDerWaalsContact O-N 3.13Å
331H43.2Very low43.7Very low119 Ų119121.8 Ų121.855%0.55167%0.665SS**PPolyproline II helixtrans-95.3119.8178.8-63.8-51.1000109.6V329V329-H331 PolarHBondContact O-N 3.41Å
332Y36.7Very low42.6Very low201 Ų201122.8 Ų122.879%0.78868%0.68SS**PPolyproline II helixtrans-87.3133168.4-147.1-97.9000109.9
333R39.5Very low41.7Very low183 Ų183124 Ų12469%0.69170%0.696SS**  trans-87.1113.9175.4-165-170.6-114.5-150.65.4106.6
334S38.3Very low41Very low80 Ų80121.5 Ų121.556%0.55970%0.696SS**PPolyproline II helixtrans-55.5130.3172-70.60000109.6G336S334-G336 PolarHBondContact O-N 2.9Å
335P42.8Very low40.2Very low114 Ų114121.7 Ų121.774%0.7470%0.698SS**PPolyproline II helixtrans-56.5133.2165.8-18.730.5000108.5S337P335-S337 PolarHBondContact O-N 3.5Å
336G38.8Very low40.5Very low62 Ų62124.7 Ų124.764%0.63971%0.714SS**PPolyproline II helixtrans-55.2137.4176.100000110.2S334 V338S334-G336 PolarHBondContact O-N 2.9Å; G336-V338 PolarHBondContact O-N 2.88Å
337S40.6Very low40.7Very low123 Ų123120.9 Ų120.986%0.8671%0.708SS**  trans-43.1106172.550.80000111.7P335P335-S337 PolarHBondContact O-N 3.5Å
338V41.5Very low40.3Very low140 Ų140118.3 Ų118.385%0.84872%0.716SS**  trans-88.5120.3158.2-172.80000105.3G336G336-V338 PolarHBondContact O-N 2.88Å
339G37.2Very low40.2Very low54 Ų54118.4 Ų118.456%0.55772%0.721SS**  trans-62.3171.5179.800000112.7A341G339-A341 PolarHBondContact O-N 2.97Å
340P36Very low40.2Very low136 Ų136124.6 Ų124.688%0.88378%0.778SS**  trans-72.1106.4-17431.1-30.7000108.8S342P340-S342 PolarHBondContact O-N 3.43Å
341A39.5Very low39.9Very low96 Ų96122.3 Ų122.379%0.79378%0.78SS**  trans-84.296.7166.700000108.1G339G339-A341 PolarHBondContact O-N 2.97Å
342S36.6Very low39.7Very low110 Ų110122.5 Ų122.577%0.76979%0.792SS**  trans-63.4123.4159.250.80000110.1P340P340-S342 PolarHBondContact O-N 3.43Å
343S41.5Very low39.8Very low99 Ų99118.1 Ų118.169%0.69279%0.792SS**  trans165.2101.3150.928.30000106.9
344V42.9Very low39.9Very low126 Ų126114.3 Ų114.376%0.76480%0.798SS**  57.5131.2103.9-59.30000114.4
345D36.9Very low40Very low149 Ų149116.4 Ų116.480%0.79781%0.813SS**  trans101129.1159.2-60.4-28.8000119.9
346S42.7Very low39.8Very low102 Ų102116.6 Ų116.671%0.71382%0.817SS**  trans105.182.7145.5-52.10000118.1
347T43.6Very low39.8Very low134 Ų134120.5 Ų120.582%0.82283%0.83SS**  66.2109.112152.60000119.8
348C34Very low39.8Very low122 Ų122120.3 Ų120.382%0.82483%0.828SS**  trans-54.3131.3148.2-179.40000112
349S39.6Very low39.6Very low116 Ų116118.7 Ų118.781%0.81183%0.826SS**  trans160.5114131.4-69.70000111.5
350A45.2Very low39.9Very low180 Ų180124.5 Ų124.5100%1.48885%0.851SS**  trans-1640142.100000108.3

Retrieved 350 of 350 residues in 83.8 ms (Link to these results)