A0A087YFT7_POEFO Loading...

Dishevelled binding antagonist of beta catenin 3

AlphaFold DB , UniProt , Accession A0A087YFT7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 654 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
1M47.5Very low52.3Low243 Ų243139.3 Ų139.3100%1.19775%0.753SS**  0100.50-94-170.9-86.900109.2
2Q44.3Very low53.4Low197 Ų197136.5 Ų136.592%0.92173%0.732SS**  trans-147.4121.6161.6-69.9-170.4-7.100108
3R47.1Very low54.9Low241 Ų241138.8 Ų138.891%0.90972%0.724SS**  trans-119125.1158.4-80.5-168.7178.2106.60.5105.6L5R3-L5 PolarHBondContact O-N 2.82Å
4A50.9Low56.6Low104 Ų104132.8 Ų132.886%0.8670%0.699SS**  trans-60.5130.5176.800000109.9S6A4-S6 PolarHBondContact O-N 3.11Å
5L51.8Low58.6Low155 Ų155132.5 Ų132.581%0.81269%0.685SS**  trans-83.596.8171.4-69.8169.2000107.7R3 F7R3-L5 PolarHBondContact O-N 2.82Å; L5-F7 PolarHBondContact O-N 3.41Å
6S51Low60.5Low117 Ų117128.9 Ų128.982%0.81867%0.67SS**  trans-65.4117.5170.440.80000109.5A4A4-S6 PolarHBondContact O-N 3.11Å
7F48.5Very low62.5Low159 Ų159126.9 Ų126.970%0.69766%0.656SS**  trans-69145.9-173.6-68.1-90000111.9L5 A9L5-F7 PolarHBondContact O-N 3.41Å; F7-A9 PolarHBondContact O-N 3.02Å
8P57Low64.2Low102 Ų102124.7 Ų124.766%0.66265%0.645SS**THydrogen-bonded Turntrans-66.1-9179.327.9-36000114.2T10 V11P8-T10 PolarHBondContact O-N 3.26Å; P8-T10 VanDerWaalsContact O-N 3.14Å; P8-V11 PolarHBondContact O-N 3.36Å; P8-V11 VanDerWaalsContact O-N 3.17Å
9A55.8Low65.9Low47 Ų47127.8 Ų127.839%0.38865%0.647SS.*Hα-helixtrans-69-5.7-17600000115F7 R13F7-A9 PolarHBondContact O-N 3.02Å; A9-R13 WeakPolarHBondContact O-CG 3.13Å; A9-R13 PolarHBondContact O-NH1 2.94Å
10T57.3Low67.4Low99 Ų99127.6 Ų127.661%0.60765%0.648SS**Hα-helixtrans-81.5-38.5169.551.40000111.9P8 R13 S14P8-T10 PolarHBondContact O-N 3.26Å; P8-T10 VanDerWaalsContact O-N 3.14Å; T10-R13 PolarHBondContact O-N 3.46Å; T10-S14 PolarHBondContact O-N 3.3Å
11V64.6Low68.8Low68 Ų68125.8 Ų125.841%0.41264%0.637SS.*Hα-helixtrans-71.6-33.5-177.8175.40000112.2P8 S14 R15P8-V11 PolarHBondContact O-N 3.36Å; P8-V11 VanDerWaalsContact O-N 3.17Å; V11-S14 PolarHBondContact O-OG 3.23Å; V11-S14 VanDerWaalsContact O-OG 3.1Å; V11-R15 VanDerWaalsContact O-CG 3.31Å; V11-R15 WeakPolarHBondContact O-CG 3.25Å; V11-R15 PolarHBondContact O-N 3.42Å
12E65.1Low71.2Confident106 Ų106117.4 Ų117.450%0.49561%0.606SS.*Hα-helixtrans-73-32.5172.2-63.1-51134.600112R15 T16E12-R15 PolarHBondContact O-N 2.93Å; E12-R15 IonicContact OE1-CZ 2.65Å; E12-R15 IonicContact OE1-NH1 3.89Å; E12-R15 PolarHBondContact OE1-NH1 2.96Å; E12-R15 IonicContact OE2-NH1 3.9Å; E12-T16 PolarHBondContact O-N 2.93Å; E12-T16 VanDerWaalsContact O-N 3.07Å; E12-T16 PolarHBondContact O-OG1 3.5Å
13R72.4Confident73.7Confident167 Ų167111.5 Ų111.563%0.6359%0.586SS**Hα-helixtrans-67.3-40.3174.8-78.5-176.6-176.998.3-12.6112.6A9 T10 T16 K17A9-R13 WeakPolarHBondContact O-CG 3.13Å; A9-R13 PolarHBondContact O-NH1 2.94Å; T10-R13 PolarHBondContact O-N 3.46Å; R13-T16 WeakPolarHBondContact CA-OG1 3.47Å; R13-T16 PolarHBondContact O-N 2.84Å; R13-T16 PolarHBondContact O-OG1 2.76Å; R13-K17 PolarHBondContact O-N 2.89Å
14S79.3Confident76.2Confident54 Ų54105.4 Ų105.438%0.37857%0.571SS.*Hα-helixtrans-62.1-47.6173.874.60000110.3T10 V11 T16 K17 D18T10-S14 PolarHBondContact O-N 3.3Å; V11-S14 PolarHBondContact O-OG 3.23Å; V11-S14 VanDerWaalsContact O-OG 3.1Å; S14-T16 PolarHBondContact O-N 3.35Å; S14-T16 VanDerWaalsContact O-N 3.09Å; S14-K17 CarbonylContact O-C 3.28Å; S14-K17 WeakPolarHBondContact O-CA 3.48Å; S14-K17 WeakPolarHBondContact O-CB 3.26Å; S14-K17 PolarHBondContact O-N 2.62Å; S14-D18 PolarHBondContact O-N 2.91Å
15R86.3Confident78.4Confident129 Ų129103.3 Ų103.349%0.48755%0.554SS.*Hα-helixtrans-56-30.5175.4-73.1170.3177.1159.64.1114.2V11 E12 D18 R19V11-R15 VanDerWaalsContact O-CG 3.31Å; V11-R15 WeakPolarHBondContact O-CG 3.25Å; V11-R15 PolarHBondContact O-N 3.42Å; E12-R15 PolarHBondContact O-N 2.93Å; E12-R15 IonicContact OE1-CZ 2.65Å; E12-R15 IonicContact OE1-NH1 3.89Å; E12-R15 PolarHBondContact OE1-NH1 2.96Å; E12-R15 IonicContact OE2-NH1 3.9Å; R15-D18 WeakPolarHBondContact CA-OD2 3.41Å; R15-R19 WeakPolarHBondContact O-CB 3.27Å; R15-R19 VanDerWaalsContact O-CG 3.23Å; R15-R19 WeakPolarHBondContact O-CG 3.48Å; R15-R19 PolarHBondContact O-N 3.45Å
16T89.5Confident80.6Confident74 Ų7497.4 Ų97.445%0.45453%0.53SS..Hα-helixtrans-77.2-36.5171.448.20000113.1E12 R13 S14 R19 L20E12-T16 PolarHBondContact O-N 2.93Å; E12-T16 VanDerWaalsContact O-N 3.07Å; E12-T16 PolarHBondContact O-OG1 3.5Å; R13-T16 WeakPolarHBondContact CA-OG1 3.47Å; R13-T16 PolarHBondContact O-N 2.84Å; R13-T16 PolarHBondContact O-OG1 2.76Å; S14-T16 PolarHBondContact O-N 3.35Å; S14-T16 VanDerWaalsContact O-N 3.09Å; T16-R19 PolarHBondContact O-N 3.49Å; T16-L20 WeakPolarHBondContact O-CB 3.28Å; T16-L20 VanDerWaalsContact O-CG 3.26Å; T16-L20 WeakPolarHBondContact O-CG 3.42Å; T16-L20 PolarHBondContact O-N 3.49Å
17K94.1Very high82.8Confident96 Ų9697.4 Ų97.442%0.41752%0.521SS..Hα-helixtrans-60.4-54.7170.6-179.1168.5175.4170.90110.1R13 S14 R19 L20 E21 D586R13-K17 PolarHBondContact O-N 2.89Å; S14-K17 CarbonylContact O-C 3.28Å; S14-K17 WeakPolarHBondContact O-CA 3.48Å; S14-K17 WeakPolarHBondContact O-CB 3.26Å; S14-K17 PolarHBondContact O-N 2.62Å; K17-R19 PolarHBondContact O-N 2.81Å; K17-R19 VanDerWaalsContact O-N 3.11Å; K17-L20 PolarHBondContact O-N 2.81Å; K17-E21 WeakPolarHBondContact CE-OE1 3.24Å; K17-E21 HydrophobicContact CG-CG 4.29Å; K17-E21 VanDerWaalsContact CG-OE1 3.32Å; K17-E21 WeakPolarHBondContact CG-OE1 3.48Å; K17-E21 IonicContact NZ-OE1 2.73Å; K17-E21 WeakPolarHBondContact O-CG 3.32Å; K17-E21 PolarHBondContact O-N 3.15Å; K17-D586 IonicContact NZ-OD2 2.77Å; K17-D586 PolarHBondContact NZ-OD2 2.89Å
18D93.4Very high85.1Confident87 Ų8793.6 Ų93.647%0.46551%0.512SS..Hα-helixtrans-50.9-41.3178.7-47.3-23000112.3S14 R15 A22S14-D18 PolarHBondContact O-N 2.91Å; R15-D18 WeakPolarHBondContact CA-OD2 3.41Å; D18-A22 WeakPolarHBondContact O-CB 3.18Å; D18-A22 PolarHBondContact O-N 3.48Å; D18-A22 VanDerWaalsContact O-N 3.08Å
19R96.3Very high87.1Confident183 Ų18393.5 Ų93.569%0.69150%0.503SS*.Hα-helixtrans-75.7-35.3179.6-76.3179.366.3-160.4-2.9113.6R15 T16 K17 S23R15-R19 WeakPolarHBondContact O-CB 3.27Å; R15-R19 VanDerWaalsContact O-CG 3.23Å; R15-R19 WeakPolarHBondContact O-CG 3.48Å; R15-R19 PolarHBondContact O-N 3.45Å; T16-R19 PolarHBondContact O-N 3.49Å; K17-R19 PolarHBondContact O-N 2.81Å; K17-R19 VanDerWaalsContact O-N 3.11Å; R19-S23 WeakPolarHBondContact O-CB 3.49Å; R19-S23 PolarHBondContact O-N 2.81Å; R19-S23 PolarHBondContact O-OG 2.79Å
20L97Very high89.1Confident124 Ų12496.9 Ų96.965%0.64951%0.514SS*.Hα-helixtrans-70.9-41.4176-73.1168.6000110.7T16 K17 S23 L24T16-L20 WeakPolarHBondContact O-CB 3.28Å; T16-L20 VanDerWaalsContact O-CG 3.26Å; T16-L20 WeakPolarHBondContact O-CG 3.42Å; T16-L20 PolarHBondContact O-N 3.49Å; K17-L20 PolarHBondContact O-N 2.81Å; L20-S23 PolarHBondContact O-N 3.2Å; L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 PolarHBondContact O-N 3.11Å
21E96.4Very high91.1Very high90 Ų9095.5 Ų95.542%0.42150%0.501SS..Hα-helixtrans-60.9-47.8173.4-70.8176.9174.400111.8K17 S23 L24 A25K17-E21 WeakPolarHBondContact CE-OE1 3.24Å; K17-E21 HydrophobicContact CG-CG 4.29Å; K17-E21 VanDerWaalsContact CG-OE1 3.32Å; K17-E21 WeakPolarHBondContact CG-OE1 3.48Å; K17-E21 IonicContact NZ-OE1 2.73Å; K17-E21 WeakPolarHBondContact O-CG 3.32Å; K17-E21 PolarHBondContact O-N 3.15Å; E21-S23 VanDerWaalsContact C-N 3.26Å; E21-S23 PolarHBondContact O-N 3.39Å; E21-L24 PolarHBondContact O-N 2.89Å; E21-A25 WeakPolarHBondContact O-CB 3.23Å; E21-A25 PolarHBondContact O-N 3.09Å
22A96.9Very high92.7Very high67 Ų6796 Ų9655%0.55450%0.5SS*.Hα-helixtrans-61.5-33.4174.600000112.9D18 G26D18-A22 WeakPolarHBondContact O-CB 3.18Å; D18-A22 PolarHBondContact O-N 3.48Å; D18-A22 VanDerWaalsContact O-N 3.08Å; A22-G26 PolarHBondContact O-N 3.06Å; A22-G26 VanDerWaalsContact O-N 3.11Å
23S98.1Very high94.2Very high72 Ų7297.5 Ų97.550%0.50350%0.502SS..Hα-helixtrans-71.7-41.6175.4-57.60000111.8R19 L20 E21 G26 L27R19-S23 WeakPolarHBondContact O-CB 3.49Å; R19-S23 PolarHBondContact O-N 2.81Å; R19-S23 PolarHBondContact O-OG 2.79Å; L20-S23 PolarHBondContact O-N 3.2Å; E21-S23 VanDerWaalsContact C-N 3.26Å; E21-S23 PolarHBondContact O-N 3.39Å; S23-G26 PolarHBondContact O-N 2.82Å; S23-L27 WeakPolarHBondContact O-CG 3.45Å; S23-L27 PolarHBondContact O-N 3.25Å
24L98.1Very high95.4Very high114 Ų11495.2 Ų95.260%0.59749%0.493SS*.Hα-helixtrans-65.2-45.6177-175.5149.7000111.1L20 E21 G26 L27 C28L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 PolarHBondContact O-N 3.11Å; E21-L24 PolarHBondContact O-N 2.89Å; L24-G26 VanDerWaalsContact C-N 3.28Å; L24-G26 PolarHBondContact O-N 2.83Å; L24-L27 PolarHBondContact O-N 3Å; L24-L27 VanDerWaalsContact O-N 3.13Å; L24-C28 PolarHBondContact O-N 2.98Å; L24-C28 PolarHBondContact O-SG 2.81Å; L24-C28 VanDerWaalsContact O-SG 3.34Å
25A97.1Very high96.3Very high60 Ų6096.8 Ų96.850%0.49649%0.494SS..Hα-helixtrans-58.5-40.5173.700000112E21 C28 E29E21-A25 WeakPolarHBondContact O-CB 3.23Å; E21-A25 PolarHBondContact O-N 3.09Å; A25-C28 PolarHBondContact O-N 2.78Å; A25-E29 PolarHBondContact O-N 3.25Å
26G98.1Very high96.8Very high30 Ų3096.3 Ų96.331%0.30949%0.493SS..Hα-helixtrans-63.5-39.9173.700000113.6A22 S23 L24 E29 L30A22-G26 PolarHBondContact O-N 3.06Å; A22-G26 VanDerWaalsContact O-N 3.11Å; S23-G26 PolarHBondContact O-N 2.82Å; L24-G26 VanDerWaalsContact C-N 3.28Å; L24-G26 PolarHBondContact O-N 2.83Å; G26-E29 PolarHBondContact O-N 3.41Å; G26-L30 WeakPolarHBondContact O-CB 3.26Å; G26-L30 VanDerWaalsContact O-CG 3.28Å; G26-L30 WeakPolarHBondContact O-CG 3.41Å; G26-L30 PolarHBondContact O-N 3.3Å
27L98.3Very high97.2Very high118 Ų11899.1 Ų99.162%0.61850%0.501SS*.Hα-helixtrans-65.7-42.7174.4-71.3170.4000111.8S23 L24 E29 L30 E31S23-L27 WeakPolarHBondContact O-CG 3.45Å; S23-L27 PolarHBondContact O-N 3.25Å; L24-L27 PolarHBondContact O-N 3Å; L24-L27 VanDerWaalsContact O-N 3.13Å; L27-E29 PolarHBondContact O-N 3.43Å; L27-L30 PolarHBondContact O-N 3.43Å; L27-E31 PolarHBondContact O-N 3.28Å
28C97.3Very high97.4Very high78 Ų7898.7 Ų98.753%0.52750%0.5SS..Hα-helixtrans-63.2-38.6175.1-65.40000112.4L24 A25 L32L24-C28 PolarHBondContact O-N 2.98Å; L24-C28 PolarHBondContact O-SG 2.81Å; L24-C28 VanDerWaalsContact O-SG 3.34Å; A25-C28 PolarHBondContact O-N 2.78Å; C28-L32 WeakPolarHBondContact O-CB 3.4Å; C28-L32 PolarHBondContact O-N 2.97Å; C28-L32 VanDerWaalsContact O-N 3.13Å
29E98.1Very high97.4Very high101 Ų10198.7 Ų98.747%0.47251%0.506SS..Hα-helixtrans-65.5-45.5172.6-179.9169.2-161.300111.5A25 G26 L27 E31 L32 R33A25-E29 PolarHBondContact O-N 3.25Å; G26-E29 PolarHBondContact O-N 3.41Å; L27-E29 PolarHBondContact O-N 3.43Å; E29-E31 VanDerWaalsContact C-N 3.35Å; E29-E31 PolarHBondContact O-N 2.88Å; E29-L32 CarbonylContact O-C 3.57Å; E29-L32 PolarHBondContact O-N 2.79Å; E29-R33 HydrophobicContact CG-CG 4.3Å; E29-R33 WeakPolarHBondContact O-CG 3.49Å; E29-R33 PolarHBondContact O-N 2.96Å; E29-R33 IonicContact OE1-CZ 2.7Å; E29-R33 VanDerWaalsContact OE1-CZ 3.28Å; E29-R33 IonicContact OE1-NE 3.06Å; E29-R33 PolarHBondContact OE1-NE 2.91Å; E29-R33 VanDerWaalsContact OE1-NE 3.08Å; E29-R33 IonicContact OE1-NH2 2.87Å; E29-R33 PolarHBondContact OE1-NH2 2.98Å
30L98.3Very high97.4Very high117 Ų11796.2 Ų96.261%0.61351%0.506SS*.Hα-helixtrans-60.5-42.2179.6-75.6170.4000112.3G26 L27 R33 R34G26-L30 WeakPolarHBondContact O-CB 3.26Å; G26-L30 VanDerWaalsContact O-CG 3.28Å; G26-L30 WeakPolarHBondContact O-CG 3.41Å; G26-L30 PolarHBondContact O-N 3.3Å; L27-L30 PolarHBondContact O-N 3.43Å; L30-R33 WeakPolarHBondContact O-CB 3.44Å; L30-R33 PolarHBondContact O-N 2.83Å; L30-R33 VanDerWaalsContact O-N 3.17Å; L30-R34 PolarHBondContact O-N 3.35Å
31E98Very high97.4Very high71 Ų7193.9 Ų93.933%0.33250%0.496SS..Hα-helixtrans-62.7-42.8174.4176.757.8-167.400111.5L27 E29 R33 R34 Q35L27-E31 PolarHBondContact O-N 3.28Å; E29-E31 VanDerWaalsContact C-N 3.35Å; E29-E31 PolarHBondContact O-N 2.88Å; E31-R33 VanDerWaalsContact C-N 3.29Å; E31-R33 PolarHBondContact O-N 3.05Å; E31-R34 WeakPolarHBondContact O-CB 3.29Å; E31-R34 PolarHBondContact O-N 2.9Å; E31-R34 VanDerWaalsContact O-N 3.14Å; E31-R34 IonicContact OE1-CZ 3.28Å; E31-R34 IonicContact OE1-NH1 3.93Å; E31-R34 PolarHBondContact OE1-NH1 2.98Å; E31-R34 IonicContact OE1-NH2 3.77Å; E31-R34 IonicContact OE2-CZ 2.67Å; E31-R34 IonicContact OE2-NE 3.41Å; E31-R34 IonicContact OE2-NH1 3.08Å; E31-R34 PolarHBondContact OE2-NH1 3.08Å; E31-Q35 WeakPolarHBondContact O-CG 3.35Å; E31-Q35 PolarHBondContact O-N 3.35Å; E31-Q35 PolarHBondContact OE1-NE2 3.34Å
32L98.3Very high97.3Very high77 Ų7794.6 Ų94.640%0.40350%0.503SS..Hα-helixtrans-66.2-27.7174-177.160.5000113C28 E29 R36C28-L32 WeakPolarHBondContact O-CB 3.4Å; C28-L32 PolarHBondContact O-N 2.97Å; C28-L32 VanDerWaalsContact O-N 3.13Å; E29-L32 CarbonylContact O-C 3.57Å; E29-L32 PolarHBondContact O-N 2.79Å; L32-R36 WeakPolarHBondContact O-CD 3.34Å; L32-R36 VanDerWaalsContact O-CG 3.23Å; L32-R36 WeakPolarHBondContact O-CG 3.48Å; L32-R36 PolarHBondContact O-N 3.46Å
33R97.1Very high97.1Very high139 Ų13992.6 Ų92.653%0.52549%0.489SS..Hα-helixtrans-72.4-42.8169.2-60.1-42.6-173.496.62.1110.9E29 L30 E31 R36 Q37E29-R33 HydrophobicContact CG-CG 4.3Å; E29-R33 WeakPolarHBondContact O-CG 3.49Å; E29-R33 PolarHBondContact O-N 2.96Å; E29-R33 IonicContact OE1-CZ 2.7Å; E29-R33 VanDerWaalsContact OE1-CZ 3.28Å; E29-R33 IonicContact OE1-NE 3.06Å; E29-R33 PolarHBondContact OE1-NE 2.91Å; E29-R33 VanDerWaalsContact OE1-NE 3.08Å; E29-R33 IonicContact OE1-NH2 2.87Å; E29-R33 PolarHBondContact OE1-NH2 2.98Å; L30-R33 WeakPolarHBondContact O-CB 3.44Å; L30-R33 PolarHBondContact O-N 2.83Å; L30-R33 VanDerWaalsContact O-N 3.17Å; E31-R33 VanDerWaalsContact C-N 3.29Å; E31-R33 PolarHBondContact O-N 3.05Å; R33-R36 PolarHBondContact O-N 3.17Å; R33-Q37 PolarHBondContact O-N 2.99Å
34R98.2Very high96.9Very high118 Ų11892.1 Ų92.145%0.44549%0.489SS..Hα-helixtrans-56.5-54.8177.7-164-15291.8-148.88.3110.4L30 E31 R36 Q37 E38L30-R34 PolarHBondContact O-N 3.35Å; E31-R34 WeakPolarHBondContact O-CB 3.29Å; E31-R34 PolarHBondContact O-N 2.9Å; E31-R34 VanDerWaalsContact O-N 3.14Å; E31-R34 IonicContact OE1-CZ 3.28Å; E31-R34 IonicContact OE1-NH1 3.93Å; E31-R34 PolarHBondContact OE1-NH1 2.98Å; E31-R34 IonicContact OE1-NH2 3.77Å; E31-R34 IonicContact OE2-CZ 2.67Å; E31-R34 IonicContact OE2-NE 3.41Å; E31-R34 IonicContact OE2-NH1 3.08Å; E31-R34 PolarHBondContact OE2-NH1 3.08Å; R34-R36 VanDerWaalsContact C-N 3.31Å; R34-R36 PolarHBondContact O-N 3.25Å; R34-Q37 CarbonylContact O-C 3.55Å; R34-Q37 PolarHBondContact O-N 2.82Å; R34-E38 IonicContact CZ-OE2 2.73Å; R34-E38 IonicContact NE-OE2 3.35Å; R34-E38 PolarHBondContact NE-OE2 3.04Å; R34-E38 IonicContact NH2-OE1 3.95Å; R34-E38 PolarHBondContact NH2-OE1 3.41Å; R34-E38 IonicContact NH2-OE2 2.72Å; R34-E38 PolarHBondContact NH2-OE2 2.87Å; R34-E38 VanDerWaalsContact O-CB 3.31Å; R34-E38 WeakPolarHBondContact O-CB 3.21Å; R34-E38 PolarHBondContact O-N 2.85Å
35Q97.8Very high96.5Very high87 Ų8792.3 Ų92.341%0.40749%0.49SS..Hα-helixtrans-56.8-41.7179.2-68.5171.24.400112.3E31 E38 C39E31-Q35 WeakPolarHBondContact O-CG 3.35Å; E31-Q35 PolarHBondContact O-N 3.35Å; E31-Q35 PolarHBondContact OE1-NE2 3.34Å; Q35-E38 WeakPolarHBondContact O-CB 3.27Å; Q35-E38 PolarHBondContact O-N 3.37Å; Q35-C39 PolarHBondContact O-N 2.7Å; Q35-C39 PolarHBondContact O-SG 3.35Å
36R97.4Very high96Very high120 Ų12092 Ų9245%0.45349%0.488SS..Hα-helixtrans-65.2-41.4175.2-71173.5-163.5-158.58.1112.7L32 R33 R34 E38 L40L32-R36 WeakPolarHBondContact O-CD 3.34Å; L32-R36 VanDerWaalsContact O-CG 3.23Å; L32-R36 WeakPolarHBondContact O-CG 3.48Å; L32-R36 PolarHBondContact O-N 3.46Å; R33-R36 PolarHBondContact O-N 3.17Å; R34-R36 VanDerWaalsContact C-N 3.31Å; R34-R36 PolarHBondContact O-N 3.25Å; R36-E38 VanDerWaalsContact C-N 3.33Å; R36-L40 VanDerWaalsContact O-CG 3.29Å; R36-L40 WeakPolarHBondContact O-CG 3.33Å; R36-L40 PolarHBondContact O-N 3.06Å
37Q97.8Very high95.1Very high133 Ų13397.7 Ų97.762%0.62151%0.51SS*.Hα-helixtrans-67.4-37.6176.8-177174.3-17.800111.2R33 R34 L40 V41R33-Q37 PolarHBondContact O-N 2.99Å; R34-Q37 CarbonylContact O-C 3.55Å; R34-Q37 PolarHBondContact O-N 2.82Å; Q37-L40 PolarHBondContact O-N 2.75Å; Q37-V41 HydrophobicContact CG-CG2 4.46Å; Q37-V41 WeakPolarHBondContact O-CB 3.3Å; Q37-V41 VanDerWaalsContact O-CG2 3.31Å; Q37-V41 WeakPolarHBondContact O-CG2 3.29Å; Q37-V41 PolarHBondContact O-N 2.9Å
38E97.2Very high93.8Very high86 Ų8695 Ų9540%0.40251%0.51SS..Hα-helixtrans-62.1-47.8174.9-165.6170.3150.600111R34 Q35 R36 L40 V41 L42R34-E38 IonicContact CZ-OE2 2.73Å; R34-E38 IonicContact NE-OE2 3.35Å; R34-E38 PolarHBondContact NE-OE2 3.04Å; R34-E38 IonicContact NH2-OE1 3.95Å; R34-E38 PolarHBondContact NH2-OE1 3.41Å; R34-E38 IonicContact NH2-OE2 2.72Å; R34-E38 PolarHBondContact NH2-OE2 2.87Å; R34-E38 VanDerWaalsContact O-CB 3.31Å; R34-E38 WeakPolarHBondContact O-CB 3.21Å; R34-E38 PolarHBondContact O-N 2.85Å; Q35-E38 WeakPolarHBondContact O-CB 3.27Å; Q35-E38 PolarHBondContact O-N 3.37Å; R36-E38 VanDerWaalsContact C-N 3.33Å; E38-L40 VanDerWaalsContact C-N 3.34Å; E38-L40 PolarHBondContact O-N 3.45Å; E38-V41 PolarHBondContact O-N 3.47Å; E38-L42 HydrophobicContact CG-CD1 4.34Å; E38-L42 WeakPolarHBondContact O-CB 3.38Å; E38-L42 VanDerWaalsContact O-CG 3.27Å; E38-L42 WeakPolarHBondContact O-CG 3.18Å; E38-L42 PolarHBondContact O-N 3.49Å
39C94.4Very high91.9Very high88 Ų8898.9 Ų98.960%0.59552%0.521SS*.Hα-helixtrans-59.9-39.8171.5-64.30000113.2Q35 G43Q35-C39 PolarHBondContact O-N 2.7Å; Q35-C39 PolarHBondContact O-SG 3.35Å; C39-G43 PolarHBondContact O-N 2.71Å
40L95.6Very high89.6Confident131 Ų13199.1 Ų99.169%0.68653%0.531SS*.Hα-helixtrans-68.1-38.4177.5-74168.1000112.3R36 Q37 E38 A44R36-L40 VanDerWaalsContact O-CG 3.29Å; R36-L40 WeakPolarHBondContact O-CG 3.33Å; R36-L40 PolarHBondContact O-N 3.06Å; Q37-L40 PolarHBondContact O-N 2.75Å; E38-L40 VanDerWaalsContact C-N 3.34Å; E38-L40 PolarHBondContact O-N 3.45Å; L40-A44 WeakPolarHBondContact O-CB 3.23Å; L40-A44 PolarHBondContact O-N 2.99Å
41V96.6Very high87.3Confident74 Ų7499.3 Ų99.345%0.44854%0.539SS..Hα-helixtrans-69-45.9175.6168.70000110.6Q37 E38 G43 A44 L45Q37-V41 HydrophobicContact CG-CG2 4.46Å; Q37-V41 WeakPolarHBondContact O-CB 3.3Å; Q37-V41 VanDerWaalsContact O-CG2 3.31Å; Q37-V41 WeakPolarHBondContact O-CG2 3.29Å; Q37-V41 PolarHBondContact O-N 2.9Å; E38-V41 PolarHBondContact O-N 3.47Å; V41-G43 VanDerWaalsContact C-N 3.35Å; V41-G43 PolarHBondContact O-N 3.16Å; V41-A44 PolarHBondContact O-N 3.34Å; V41-L45 HydrophobicContact CG1-CD1 3.9Å; V41-L45 HydrophobicContact CG1-CG 4.39Å; V41-L45 WeakPolarHBondContact O-CB 3.41Å; V41-L45 VanDerWaalsContact O-CG 3.3Å; V41-L45 WeakPolarHBondContact O-CG 3.37Å; V41-L45 PolarHBondContact O-N 3.39Å
42L95.3Very high85Confident105 Ų105100.2 Ų100.255%0.5556%0.559SS.*Hα-helixtrans-61.9-41.3176.4-70.1169.7000111.8E38 L45 A46E38-L42 HydrophobicContact CG-CD1 4.34Å; E38-L42 WeakPolarHBondContact O-CB 3.38Å; E38-L42 VanDerWaalsContact O-CG 3.27Å; E38-L42 WeakPolarHBondContact O-CG 3.18Å; E38-L42 PolarHBondContact O-N 3.49Å; L42-L45 PolarHBondContact O-N 3.25Å; L42-A46 WeakPolarHBondContact O-CB 3.41Å; L42-A46 PolarHBondContact O-N 2.96Å
43G93.3Very high82.9Confident25 Ų25106.1 Ų106.126%0.25859%0.585SS.*Hα-helixtrans-64.2-39.5173.600000113.2C39 V41 A46 L47C39-G43 PolarHBondContact O-N 2.71Å; V41-G43 VanDerWaalsContact C-N 3.35Å; V41-G43 PolarHBondContact O-N 3.16Å; G43-A46 PolarHBondContact O-N 3.3Å; G43-L47 WeakPolarHBondContact O-CG 3.12Å; G43-L47 PolarHBondContact O-N 3.42Å
44A91.9Very high80.5Confident63 Ų63106.7 Ų106.752%0.52160%0.598SS.*Hα-helixtrans-69-33.7175.400000112.9L40 V41 G48L40-A44 WeakPolarHBondContact O-CB 3.23Å; L40-A44 PolarHBondContact O-N 2.99Å; V41-A44 PolarHBondContact O-N 3.34Å; A44-G48 PolarHBondContact O-N 3.25Å; A44-G48 VanDerWaalsContact O-N 3.17Å
45L91.2Very high78.2Confident117 Ų117105.1 Ų105.161%0.61362%0.619SS**Hα-helixtrans-70.3-41.7173.9-71169.4000111.5V41 L42 L47 G48 E49V41-L45 HydrophobicContact CG1-CD1 3.9Å; V41-L45 HydrophobicContact CG1-CG 4.39Å; V41-L45 WeakPolarHBondContact O-CB 3.41Å; V41-L45 VanDerWaalsContact O-CG 3.3Å; V41-L45 WeakPolarHBondContact O-CG 3.37Å; V41-L45 PolarHBondContact O-N 3.39Å; L42-L45 PolarHBondContact O-N 3.25Å; L45-L47 VanDerWaalsContact C-N 3.31Å; L45-L47 PolarHBondContact O-N 3.29Å; L45-G48 WeakPolarHBondContact O-CA 3.14Å; L45-G48 PolarHBondContact O-N 3.19Å; L45-E49 PolarHBondContact O-N 3.21Å
46A85.9Confident75.8Confident54 Ų54105.3 Ų105.345%0.44663%0.63SS.*Hα-helixtrans-64.1-33.9175.200000112.8L42 G43 G48 F63L42-A46 WeakPolarHBondContact O-CB 3.41Å; L42-A46 PolarHBondContact O-N 2.96Å; G43-A46 PolarHBondContact O-N 3.3Å; A46-G48 VanDerWaalsContact C-N 3.25Å; A46-G48 PolarHBondContact O-N 3.33Å; A46-F63 HydrophobicContact CB-CZ 4.33Å
47L80.1Confident73.5Confident150 Ų150111.4 Ų111.479%0.78565%0.653SS**THydrogen-bonded Turntrans-76.9-9.7170.9-69.9170.2000113.7G43 L45G43-L47 WeakPolarHBondContact O-CG 3.12Å; G43-L47 PolarHBondContact O-N 3.42Å; L45-L47 VanDerWaalsContact C-N 3.31Å; L45-L47 PolarHBondContact O-N 3.29Å
48G69.9Low71.2Confident60 Ų60107.1 Ų107.162%0.61964%0.644SS**THydrogen-bonded Turntrans-95.1-9.3-179.900000114.3A44 L45 A46A44-G48 PolarHBondContact O-N 3.25Å; A44-G48 VanDerWaalsContact O-N 3.17Å; L45-G48 WeakPolarHBondContact O-CA 3.14Å; L45-G48 PolarHBondContact O-N 3.19Å; A46-G48 VanDerWaalsContact C-N 3.25Å; A46-G48 PolarHBondContact O-N 3.33Å
49E58.3Low68.8Low161 Ų161110.1 Ų110.175%0.75266%0.658SS**SBendtrans-78.3123.9172.6-161.3173.5-127.800109.4L45L45-E49 PolarHBondContact O-N 3.21Å
50P50.1Low66.7Low105 Ų105112.8 Ų112.868%0.68267%0.666SS**  trans-67.7135.2177.128.4-33.6000109.4A52P50-A52 PolarHBondContact O-N 3.33Å
51P49.2Very low64.4Low121 Ų121113.6 Ų113.679%0.78667%0.666SS**  trans-63.2113.7178.725.8-33.6000109.8Q53P51-Q53 PolarHBondContact O-N 3.33Å
52A50.2Low61.9Low91 Ų91118 Ų11875%0.75268%0.676SS**  trans-54.913116400000108.3P50 D54P50-A52 PolarHBondContact O-N 3.33Å; A52-D54 PolarHBondContact O-N 3.35Å
53Q52.9Low59.5Low200 Ų200119.4 Ų119.494%0.93568%0.678SS**SBendtrans-77.668.9-175.6-67.1-174.71500111.6P51P51-Q53 PolarHBondContact O-N 3.33Å
54D46.9Very low57.6Low152 Ų152121.9 Ų121.981%0.81369%0.691SS**SBendtrans-142.4140.7163.7-109.7-43.2000111.4A52 S56A52-D54 PolarHBondContact O-N 3.35Å; D54-S56 PolarHBondContact O-N 3.34Å
55G51.2Low55.6Low85 Ų85121.6 Ų121.688%0.87669%0.685SS**  trans-83.696.7-155.700000116.1
56S46.5Very low53.5Low90 Ų90123.7 Ų123.763%0.62969%0.685SS**  trans-127.479.4166.756.30000113.1D54 G58D54-S56 PolarHBondContact O-N 3.34Å; S56-G58 PolarHBondContact O-N 2.6Å
57R49.1Very low52.1Low248 Ų248123 Ų12394%0.93668%0.684SS**THydrogen-bonded Turntrans-71.365.6174.7-171.2-172.8174.7-84.63.4111.9
58G49.5Very low50.8Low43 Ų43122.2 Ų122.244%0.44368%0.676SS.*THydrogen-bonded Turntrans-152.6-23.4-178.100000116.5S56S56-G58 PolarHBondContact O-N 2.6Å
59E47.8Very low50.2Low150 Ų150123.3 Ų123.370%0.70167%0.665SS**THydrogen-bonded Turntrans-78.4-23.6-173.1-160.3148.9-141.900113.8E61 Y62E59-E61 VanDerWaalsContact C-N 3.28Å; E59-E61 PolarHBondContact O-N 3.4Å; E59-Y62 PolarHBondContact O-N 3.34Å
60L49.1Very low50.3Low144 Ų144118.8 Ų118.875%0.75465%0.645SS**Hα-helixtrans-68.4-22-179.4-15575.5000113.9Y62 S64L60-Y62 VanDerWaalsContact C-N 3.35Å; L60-S64 PolarHBondContact O-OG 3.1Å
61E46.9Very low51Low148 Ų148118.6 Ų118.669%0.69264%0.638SS**Hα-helixtrans-72.6-29178-65.3-171.1150.800111.9E59 F63 S64 S65E59-E61 VanDerWaalsContact C-N 3.28Å; E59-E61 PolarHBondContact O-N 3.4Å; E61-F63 PolarHBondContact O-N 3.27Å; E61-S64 WeakPolarHBondContact O-CB 3.41Å; E61-S64 PolarHBondContact O-N 2.96Å; E61-S65 PolarHBondContact O-N 3.4Å
62Y44.6Very low51.8Low165 Ų165115.9 Ų115.965%0.64762%0.619SS**Hα-helixtrans-66.6-40.2-175.4-158.3-101.6000112.6E59 L60 S64 S65 W66E59-Y62 PolarHBondContact O-N 3.34Å; L60-Y62 VanDerWaalsContact C-N 3.35Å; Y62-S64 VanDerWaalsContact C-N 3.34Å; Y62-S65 WeakPolarHBondContact O-CB 3.47Å; Y62-S65 PolarHBondContact O-N 2.93Å; Y62-W66 PolarHBondContact O-N 3.21Å
63F45.8Very low52.5Low136 Ų136115.8 Ų115.860%0.59661%0.606SS**Hα-helixtrans-68.9-31.6174.9-79.7-84.6000113.1A46 E61A46-F63 HydrophobicContact CB-CZ 4.33Å; E61-F63 PolarHBondContact O-N 3.27Å
64S51.6Low53.3Low77 Ų77112.7 Ų112.754%0.53859%0.586SS.*Hα-helixtrans-67.7-39174.4-61.90000111.4L60 E61 Y62 W66 G67 Q68L60-S64 PolarHBondContact O-OG 3.1Å; E61-S64 WeakPolarHBondContact O-CB 3.41Å; E61-S64 PolarHBondContact O-N 2.96Å; Y62-S64 VanDerWaalsContact C-N 3.34Å; S64-W66 PolarHBondContact O-N 2.91Å; S64-G67 PolarHBondContact O-N 2.97Å; S64-Q68 WeakPolarHBondContact O-CB 3.44Å; S64-Q68 PolarHBondContact O-N 3.44Å
65S51.3Low54.4Low56 Ų56113.6 Ų113.639%0.39258%0.578SS.*Hα-helixtrans-54.9-50.7175.7-168.30000112.2E61 Y62 G67 Q68 E69E61-S65 PolarHBondContact O-N 3.4Å; Y62-S65 WeakPolarHBondContact O-CB 3.47Å; Y62-S65 PolarHBondContact O-N 2.93Å; S65-G67 PolarHBondContact O-N 3.17Å; S65-Q68 PolarHBondContact O-N 3.38Å; S65-Q68 VanDerWaalsContact O-N 3.11Å; S65-E69 WeakPolarHBondContact O-CG 3.32Å; S65-E69 PolarHBondContact O-N 3.01Å
66W47.3Very low55.1Low162 Ų162115 Ų11561%0.61456%0.561SS**Hα-helixtrans-65.5-38.4-174.1-147.1-27.8000112.7Y62 S64 E69 N70Y62-W66 PolarHBondContact O-N 3.21Å; S64-W66 PolarHBondContact O-N 2.91Å; W66-E69 VanDerWaalsContact CD1-OE1 3.3Å; W66-N70 VanDerWaalsContact O-CB 3.29Å; W66-N70 WeakPolarHBondContact O-CB 3.44Å; W66-N70 PolarHBondContact O-N 2.88Å
67G54.9Low56Low40 Ų40116.1 Ų116.141%0.41256%0.56SS.*Hα-helixtrans-63.5-42.8172.600000112.3S64 S65 L71S64-G67 PolarHBondContact O-N 2.97Å; S65-G67 PolarHBondContact O-N 3.17Å; G67-L71 WeakPolarHBondContact O-CB 3.33Å; G67-L71 WeakPolarHBondContact O-CD1 3.31Å; G67-L71 VanDerWaalsContact O-CG 3.26Å; G67-L71 WeakPolarHBondContact O-CG 3.38Å; G67-L71 PolarHBondContact O-N 3.5Å
68Q53.4Low56.6Low133 Ų133107.5 Ų107.562%0.62154%0.538SS*.Hα-helixtrans-73-42.6-176.6-165.7169.211.100112.6S64 S65 L71 T72S64-Q68 WeakPolarHBondContact O-CB 3.44Å; S64-Q68 PolarHBondContact O-N 3.44Å; S65-Q68 PolarHBondContact O-N 3.38Å; S65-Q68 VanDerWaalsContact O-N 3.11Å; Q68-L71 CarbonylContact O-C 3.57Å; Q68-L71 WeakPolarHBondContact O-CB 3.44Å; Q68-L71 PolarHBondContact O-N 2.84Å; Q68-T72 PolarHBondContact O-N 3.36Å; Q68-T72 PolarHBondContact O-OG1 2.87Å
69E57Low56.9Low83 Ų83107.9 Ų107.939%0.38854%0.536SS..Hα-helixtrans-69.9-36.3178.978.3-168.6168.600112.2S65 W66 L71 T72 L73S65-E69 WeakPolarHBondContact O-CG 3.32Å; S65-E69 PolarHBondContact O-N 3.01Å; W66-E69 VanDerWaalsContact CD1-OE1 3.3Å; E69-L71 PolarHBondContact O-N 3.18Å; E69-T72 WeakPolarHBondContact CA-OG1 3.48Å; E69-T72 PolarHBondContact O-N 3.05Å; E69-T72 PolarHBondContact O-OG1 3.35Å; E69-T72 VanDerWaalsContact O-OG1 3.05Å; E69-L73 VanDerWaalsContact O-CB 3.3Å; E69-L73 WeakPolarHBondContact O-CB 3.42Å; E69-L73 VanDerWaalsContact O-CG 3.31Å; E69-L73 WeakPolarHBondContact O-CG 3.37Å; E69-L73 PolarHBondContact O-N 3.25Å
70N61.5Low57.2Low65 Ų65105 Ų10535%0.34853%0.525SS..Hα-helixtrans-65.2-33.8173.4-156.8-95.4000110.8W66 R74W66-N70 VanDerWaalsContact O-CB 3.29Å; W66-N70 WeakPolarHBondContact O-CB 3.44Å; W66-N70 PolarHBondContact O-N 2.88Å; N70-R74 VanDerWaalsContact O-CB 3.25Å; N70-R74 WeakPolarHBondContact O-CB 3.29Å; N70-R74 WeakPolarHBondContact O-CD 3.28Å; N70-R74 WeakPolarHBondContact O-CG 3.43Å; N70-R74 PolarHBondContact O-N 3.26Å; N70-R74 WeakPolarHBondContact OD1-CD 3.41Å; N70-R74 PolarHBondContact OD1-NH1 3.29Å
71L63.2Low57.5Low102 Ų102105.9 Ų105.953%0.53453%0.525SS..Hα-helixtrans-74.3-34.7173.9-74.3170.9000113.6G67 Q68 E69 R75G67-L71 WeakPolarHBondContact O-CB 3.33Å; G67-L71 WeakPolarHBondContact O-CD1 3.31Å; G67-L71 VanDerWaalsContact O-CG 3.26Å; G67-L71 WeakPolarHBondContact O-CG 3.38Å; G67-L71 PolarHBondContact O-N 3.5Å; Q68-L71 CarbonylContact O-C 3.57Å; Q68-L71 WeakPolarHBondContact O-CB 3.44Å; Q68-L71 PolarHBondContact O-N 2.84Å; E69-L71 PolarHBondContact O-N 3.18Å; L71-R75 WeakPolarHBondContact O-CB 3.38Å; L71-R75 PolarHBondContact O-N 3.26Å
72T67.1Low57.8Low63 Ų63103.5 Ų103.539%0.38753%0.525SS..Hα-helixtrans-73-44.9174.655.40000111.3Q68 E69 R74 R75 Q76Q68-T72 PolarHBondContact O-N 3.36Å; Q68-T72 PolarHBondContact O-OG1 2.87Å; E69-T72 WeakPolarHBondContact CA-OG1 3.48Å; E69-T72 PolarHBondContact O-N 3.05Å; E69-T72 PolarHBondContact O-OG1 3.35Å; E69-T72 VanDerWaalsContact O-OG1 3.05Å; T72-R74 VanDerWaalsContact C-N 3.33Å; T72-R74 PolarHBondContact O-N 3.05Å; T72-R75 CarbonylContact O-C 3.55Å; T72-R75 WeakPolarHBondContact O-CA 3.46Å; T72-R75 WeakPolarHBondContact O-CB 3.35Å; T72-R75 PolarHBondContact O-N 3.03Å; T72-Q76 WeakPolarHBondContact O-CB 3.3Å; T72-Q76 WeakPolarHBondContact O-CG 3.48Å; T72-Q76 PolarHBondContact O-N 2.8Å
73L65.3Low58.5Low89 Ų8998 Ų9847%0.46651%0.513SS..Hα-helixtrans-58.1-44.2174-74169.1000111.3E69 R75 Q76 L77E69-L73 VanDerWaalsContact O-CB 3.3Å; E69-L73 WeakPolarHBondContact O-CB 3.42Å; E69-L73 VanDerWaalsContact O-CG 3.31Å; E69-L73 WeakPolarHBondContact O-CG 3.37Å; E69-L73 PolarHBondContact O-N 3.25Å; L73-R75 VanDerWaalsContact C-N 3.33Å; L73-R75 PolarHBondContact O-N 2.81Å; L73-Q76 PolarHBondContact O-N 3.27Å; L73-L77 VanDerWaalsContact O-CB 3.31Å; L73-L77 WeakPolarHBondContact O-CB 3.23Å; L73-L77 VanDerWaalsContact O-CG 3.24Å; L73-L77 WeakPolarHBondContact O-CG 3.35Å; L73-L77 PolarHBondContact O-N 3.15Å
74R69.3Low59.1Low135 Ų13595.6 Ų95.651%0.50951%0.512SS..Hα-helixtrans-63-37.3173.5-76.2165.5119.4139.6-3.2112.7N70 T72 S78N70-R74 VanDerWaalsContact O-CB 3.25Å; N70-R74 WeakPolarHBondContact O-CB 3.29Å; N70-R74 WeakPolarHBondContact O-CD 3.28Å; N70-R74 WeakPolarHBondContact O-CG 3.43Å; N70-R74 PolarHBondContact O-N 3.26Å; N70-R74 WeakPolarHBondContact OD1-CD 3.41Å; N70-R74 PolarHBondContact OD1-NH1 3.29Å; T72-R74 VanDerWaalsContact C-N 3.33Å; T72-R74 PolarHBondContact O-N 3.05Å; R74-S78 VanDerWaalsContact O-CB 3.22Å; R74-S78 WeakPolarHBondContact O-CB 3.49Å; R74-S78 PolarHBondContact O-N 2.97Å; R74-S78 PolarHBondContact O-OG 2.85Å
75R70Confident59.6Low172 Ų17299.5 Ų99.565%0.64952%0.515SS*.Hα-helixtrans-67.8-44177-150175.1-56.4-157.53.9111.1L71 T72 L73 S78 A79L71-R75 WeakPolarHBondContact O-CB 3.38Å; L71-R75 PolarHBondContact O-N 3.26Å; T72-R75 CarbonylContact O-C 3.55Å; T72-R75 WeakPolarHBondContact O-CA 3.46Å; T72-R75 WeakPolarHBondContact O-CB 3.35Å; T72-R75 PolarHBondContact O-N 3.03Å; L73-R75 VanDerWaalsContact C-N 3.33Å; L73-R75 PolarHBondContact O-N 2.81Å; R75-S78 WeakPolarHBondContact CA-OG 3.4Å; R75-S78 PolarHBondContact O-N 3.41Å; R75-S78 PolarHBondContact O-OG 2.92Å; R75-A79 WeakPolarHBondContact O-CB 3.49Å; R75-A79 PolarHBondContact O-N 3.38Å
76Q65.2Low60.8Low114 Ų11498.8 Ų98.853%0.53352%0.516SS..Hα-helixtrans-62-50.2174.4-72.2168.2-26.900111.8T72 L73 S78 A79 L80T72-Q76 WeakPolarHBondContact O-CB 3.3Å; T72-Q76 WeakPolarHBondContact O-CG 3.48Å; T72-Q76 PolarHBondContact O-N 2.8Å; L73-Q76 PolarHBondContact O-N 3.27Å; Q76-S78 VanDerWaalsContact C-N 3.3Å; Q76-S78 PolarHBondContact O-N 3.22Å; Q76-A79 WeakPolarHBondContact O-CB 3.31Å; Q76-A79 PolarHBondContact O-N 2.86Å; Q76-A79 VanDerWaalsContact O-N 3.1Å; Q76-L80 WeakPolarHBondContact O-CG 3.46Å; Q76-L80 PolarHBondContact O-N 2.93Å
77L66.1Low62.1Low113 Ų11395.2 Ų95.259%0.59251%0.509SS*.Hα-helixtrans-60.9-37.9175.4-70.3169000111.9L73 H81L73-L77 VanDerWaalsContact O-CB 3.31Å; L73-L77 WeakPolarHBondContact O-CB 3.23Å; L73-L77 VanDerWaalsContact O-CG 3.24Å; L73-L77 WeakPolarHBondContact O-CG 3.35Å; L73-L77 PolarHBondContact O-N 3.15Å; L77-H81 WeakPolarHBondContact O-CB 3.48Å; L77-H81 PolarHBondContact O-N 2.67Å
78S62.6Low63.2Low68 Ų6898.1 Ų98.148%0.47651%0.512SS..Hα-helixtrans-68.7-34.217474.90000112.9R74 R75 Q76 S82R74-S78 VanDerWaalsContact O-CB 3.22Å; R74-S78 WeakPolarHBondContact O-CB 3.49Å; R74-S78 PolarHBondContact O-N 2.97Å; R74-S78 PolarHBondContact O-OG 2.85Å; R75-S78 WeakPolarHBondContact CA-OG 3.4Å; R75-S78 PolarHBondContact O-N 3.41Å; R75-S78 PolarHBondContact O-OG 2.92Å; Q76-S78 VanDerWaalsContact C-N 3.3Å; Q76-S78 PolarHBondContact O-N 3.22Å; S78-S82 WeakPolarHBondContact O-CB 3.27Å; S78-S82 PolarHBondContact O-N 2.98Å; S78-S82 PolarHBondContact O-OG 3.46Å
79A55.2Low64.4Low50 Ų5095.8 Ų95.841%0.41350%0.502SS..Hα-helixtrans-68.2-46.7175.300000110.8R75 Q76 H81 S82 A83R75-A79 WeakPolarHBondContact O-CB 3.49Å; R75-A79 PolarHBondContact O-N 3.38Å; Q76-A79 WeakPolarHBondContact O-CB 3.31Å; Q76-A79 PolarHBondContact O-N 2.86Å; Q76-A79 VanDerWaalsContact O-N 3.1Å; A79-H81 VanDerWaalsContact C-N 3.34Å; A79-H81 PolarHBondContact O-N 3.08Å; A79-S82 WeakPolarHBondContact CA-OG 3.37Å; A79-S82 PolarHBondContact O-N 3.19Å; A79-S82 PolarHBondContact O-OG 2.79Å; A79-A83 PolarHBondContact O-N 2.77Å
80L53.4Low65.3Low89 Ų8994.2 Ų94.247%0.46650%0.503SS..Hα-helixtrans-58.6-44.4173.4-68.1169.6000111.5Q76 S82 A83 L87Q76-L80 WeakPolarHBondContact O-CG 3.46Å; Q76-L80 PolarHBondContact O-N 2.93Å; L80-S82 VanDerWaalsContact C-N 3.27Å; L80-S82 PolarHBondContact O-N 3.5Å; L80-A83 CarbonylContact O-C 3.59Å; L80-A83 VanDerWaalsContact O-C 3.28Å; L80-A83 PolarHBondContact O-N 3.48Å; L80-L87 HydrophobicContact CD2-CD1 4.1Å
81H55.7Low66.3Low164 Ų16495.5 Ų95.576%0.75951%0.509SS*.Hα-helixtrans-68.2-22.7175.1-169.5-64.9000113.2L77 A79L77-H81 WeakPolarHBondContact O-CB 3.48Å; L77-H81 PolarHBondContact O-N 2.67Å; A79-H81 VanDerWaalsContact C-N 3.34Å; A79-H81 PolarHBondContact O-N 3.08Å
82S53.5Low67.2Low97 Ų9796 Ų9668%0.67851%0.509SS*.Hα-helixtrans-83.5-20.7173.976.80000113.6S78 A79 L80 P84S78-S82 WeakPolarHBondContact O-CB 3.27Å; S78-S82 PolarHBondContact O-N 2.98Å; S78-S82 PolarHBondContact O-OG 3.46Å; A79-S82 WeakPolarHBondContact CA-OG 3.37Å; A79-S82 PolarHBondContact O-N 3.19Å; A79-S82 PolarHBondContact O-OG 2.79Å; L80-S82 VanDerWaalsContact C-N 3.27Å; L80-S82 PolarHBondContact O-N 3.5Å; S82-P84 VanDerWaalsContact C-CD 3.44Å
83A59.4Low67.8Low49 Ų4997.7 Ų97.741%0.40551%0.513SS..  trans-130.155.8-178.800000112.4A79 L80 W85 G86A79-A83 PolarHBondContact O-N 2.77Å; L80-A83 CarbonylContact O-C 3.59Å; L80-A83 VanDerWaalsContact O-C 3.28Å; L80-A83 PolarHBondContact O-N 3.48Å; A83-W85 PolarHBondContact O-N 3.4Å; A83-W85 VanDerWaalsContact O-N 3.13Å; A83-G86 PolarHBondContact O-N 3.14Å
84P57.8Low68.5Low87 Ų8799.6 Ų99.657%0.56552%0.519SS*.Hα-helixtrans-59.2-28.9179.126-35.2000112.1S82 G86 M88S82-P84 VanDerWaalsContact C-CD 3.44Å; P84-G86 VanDerWaalsContact C-N 3.34Å; P84-G86 PolarHBondContact O-N 3.34Å; P84-M88 WeakPolarHBondContact O-CB 3.38Å; P84-M88 PolarHBondContact O-N 2.72Å
85W62.3Low68.9Low159 Ų15997.9 Ų97.960%0.60252%0.523SS*.Hα-helixtrans-57.6-42171.5-174.2-90.5000112.9A83 M88 Q89A83-W85 PolarHBondContact O-N 3.4Å; A83-W85 VanDerWaalsContact O-N 3.13Å; W85-M88 HydrophobicContact CD2-CE 4.47Å; W85-M88 HydrophobicContact CE3-CE 3.64Å; W85-M88 HydrophobicContact CH2-CE 4.47Å; W85-M88 HydrophobicContact CZ3-CE 3.64Å; W85-M88 PolarHBondContact O-N 3.43Å; W85-Q89 VanDerWaalsContact O-CB 3.26Å; W85-Q89 WeakPolarHBondContact O-CB 3.47Å; W85-Q89 PolarHBondContact O-N 2.84Å
86G76.4Confident69.1Low41 Ų4195.3 Ų95.342%0.42352%0.518SS..Hα-helixtrans-67.6-39.2-177.100000112.9A83 P84 A90A83-G86 PolarHBondContact O-N 3.14Å; P84-G86 VanDerWaalsContact C-N 3.34Å; P84-G86 PolarHBondContact O-N 3.34Å; G86-A90 WeakPolarHBondContact O-CB 3.48Å; G86-A90 PolarHBondContact O-N 2.83Å
87L73.9Confident69.4Low87 Ų8795.3 Ų95.346%0.45552%0.522SS..Hα-helixtrans-71.4-39.5174.6-176.5147.2000111.4L80 A90 L91L80-L87 HydrophobicContact CD2-CD1 4.1Å; L87-A90 PolarHBondContact O-N 3.18Å; L87-L91 HydrophobicContact CD2-CD1 3.67Å; L87-L91 HydrophobicContact CD2-CG 4.3Å; L87-L91 WeakPolarHBondContact O-CG 3.48Å; L87-L91 PolarHBondContact O-N 2.95Å
88M79.6Confident69.6Low100 Ų10096.9 Ų96.949%0.49353%0.53SS..Hα-helixtrans-63.9-42.6176.1-169.2172.972.800111.9P84 W85 L91 E92P84-M88 WeakPolarHBondContact O-CB 3.38Å; P84-M88 PolarHBondContact O-N 2.72Å; W85-M88 HydrophobicContact CD2-CE 4.47Å; W85-M88 HydrophobicContact CE3-CE 3.64Å; W85-M88 HydrophobicContact CH2-CE 4.47Å; W85-M88 HydrophobicContact CZ3-CE 3.64Å; W85-M88 PolarHBondContact O-N 3.43Å; M88-L91 PolarHBondContact O-N 3.17Å; M88-E92 WeakPolarHBondContact O-CB 3.31Å; M88-E92 PolarHBondContact O-N 3.31Å
89Q77.4Confident69.9Low84 Ų84100.6 Ų100.639%0.39354%0.538SS..Hα-helixtrans-68.7-34.2176.7-162112.688.500112.3W85 E92 Q93W85-Q89 VanDerWaalsContact O-CB 3.26Å; W85-Q89 WeakPolarHBondContact O-CB 3.47Å; W85-Q89 PolarHBondContact O-N 2.84Å; Q89-E92 PolarHBondContact NE2-OE2 3.44Å; Q89-E92 PolarHBondContact O-N 3.41Å; Q89-Q93 WeakPolarHBondContact O-CB 3.26Å; Q89-Q93 PolarHBondContact O-N 3.37Å
90A76.6Confident70.2Confident50 Ų50105.2 Ų105.241%0.41355%0.554SS.*Hα-helixtrans-66.7-40.5172.300000111.9G86 L87 Q94G86-A90 WeakPolarHBondContact O-CB 3.48Å; G86-A90 PolarHBondContact O-N 2.83Å; L87-A90 PolarHBondContact O-N 3.18Å; A90-Q94 WeakPolarHBondContact O-CB 3.44Å; A90-Q94 VanDerWaalsContact O-CG 3.31Å; A90-Q94 WeakPolarHBondContact O-CG 3.49Å; A90-Q94 PolarHBondContact O-N 2.93Å
91L82.8Confident70.3Confident93 Ų93107.4 Ų107.449%0.48757%0.566SS.*Hα-helixtrans-67.7-37.4173.3-71.3176.1000112.3L87 M88 Q94 V95L87-L91 HydrophobicContact CD2-CD1 3.67Å; L87-L91 HydrophobicContact CD2-CG 4.3Å; L87-L91 WeakPolarHBondContact O-CG 3.48Å; L87-L91 PolarHBondContact O-N 2.95Å; M88-L91 PolarHBondContact O-N 3.17Å; L91-Q94 PolarHBondContact O-N 3.22Å; L91-V95 WeakPolarHBondContact O-CB 3.37Å; L91-V95 VanDerWaalsContact O-CG2 3.3Å; L91-V95 WeakPolarHBondContact O-CG2 3.42Å; L91-V95 PolarHBondContact O-N 3.3Å
92E81.6Confident70.5Confident111 Ų111106.9 Ų106.952%0.51957%0.567SS.*Hα-helixtrans-60.7-49.7174.5-171.9169.8-132.400110.6M88 Q89 V95 E96M88-E92 WeakPolarHBondContact O-CB 3.31Å; M88-E92 PolarHBondContact O-N 3.31Å; Q89-E92 PolarHBondContact NE2-OE2 3.44Å; Q89-E92 PolarHBondContact O-N 3.41Å; E92-V95 PolarHBondContact O-N 2.92Å; E92-E96 PolarHBondContact O-N 3.14Å
93Q80.7Confident70.6Confident100 Ų100109.4 Ų109.447%0.46757%0.574SS.*Hα-helixtrans-59.9-45.7172.8-17169.163.700111.9Q89 V95 E96 D97Q89-Q93 WeakPolarHBondContact O-CB 3.26Å; Q89-Q93 PolarHBondContact O-N 3.37Å; Q93-V95 PolarHBondContact O-N 2.81Å; Q93-E96 CarbonylContact O-C 3.59Å; Q93-E96 PolarHBondContact O-N 3.38Å; Q93-E96 VanDerWaalsContact O-N 3.09Å; Q93-D97 PolarHBondContact NE2-OD1 3.2Å; Q93-D97 WeakPolarHBondContact O-CB 3.23Å; Q93-D97 PolarHBondContact O-N 3.47Å
94Q78.4Confident70Confident129 Ų129114.2 Ų114.260%0.60359%0.592SS**Hα-helixtrans-65.7-23.5178.3-75.2-170.2-68.300113.7A90 L91 L98A90-Q94 WeakPolarHBondContact O-CB 3.44Å; A90-Q94 VanDerWaalsContact O-CG 3.31Å; A90-Q94 WeakPolarHBondContact O-CG 3.49Å; A90-Q94 PolarHBondContact O-N 2.93Å; L91-Q94 PolarHBondContact O-N 3.22Å; Q94-L98 VanDerWaalsContact O-CB 3.25Å; Q94-L98 WeakPolarHBondContact O-CB 3.42Å; Q94-L98 PolarHBondContact O-N 3.13Å
95V78.4Confident69.7Low98 Ų98113.8 Ų113.859%0.59460%0.604SS**Hα-helixtrans-83.3-29.7172.5168.10000111.4L91 E92 Q93 K99L91-V95 WeakPolarHBondContact O-CB 3.37Å; L91-V95 VanDerWaalsContact O-CG2 3.3Å; L91-V95 WeakPolarHBondContact O-CG2 3.42Å; L91-V95 PolarHBondContact O-N 3.3Å; E92-V95 PolarHBondContact O-N 2.92Å; Q93-V95 PolarHBondContact O-N 2.81Å; V95-K99 PolarHBondContact O-N 3.43Å
96E74.2Confident68.9Low118 Ų118111.7 Ų111.755%0.55161%0.612SS**Hα-helixtrans-73.9-43173.3-164.9149.1-119.200111.7E92 Q93 L98 K99E92-E96 PolarHBondContact O-N 3.14Å; Q93-E96 CarbonylContact O-C 3.59Å; Q93-E96 PolarHBondContact O-N 3.38Å; Q93-E96 VanDerWaalsContact O-N 3.09Å; E96-L98 PolarHBondContact O-N 3.47Å; E96-K99 WeakPolarHBondContact O-CB 3.34Å; E96-K99 PolarHBondContact O-N 3.29Å; E96-K99 VanDerWaalsContact O-N 3.16Å
97D72.4Confident67.2Low115 Ų115116.2 Ų116.262%0.61564%0.636SS**THydrogen-bonded Turntrans-63.7-27.4173.1-63.2-10.5000112.6Q93Q93-D97 PolarHBondContact NE2-OD1 3.2Å; Q93-D97 WeakPolarHBondContact O-CB 3.23Å; Q93-D97 PolarHBondContact O-N 3.47Å
98L70.1Confident65.6Low145 Ų145121.2 Ų121.276%0.75966%0.657SS**THydrogen-bonded Turntrans-91.3-6.8178.2-153.377.2000113.1Q94 E96 I100Q94-L98 VanDerWaalsContact O-CB 3.25Å; Q94-L98 WeakPolarHBondContact O-CB 3.42Å; Q94-L98 PolarHBondContact O-N 3.13Å; E96-L98 PolarHBondContact O-N 3.47Å; L98-I100 PolarHBondContact O-N 3.35Å
99K67.8Low63.9Low147 Ų147120.2 Ų120.264%0.63967%0.672SS**SBendtrans-73.196.5162.3-81.4174.5172.2175.40108.1V95 E96 D101V95-K99 PolarHBondContact O-N 3.43Å; E96-K99 WeakPolarHBondContact O-CB 3.34Å; E96-K99 PolarHBondContact O-N 3.29Å; E96-K99 VanDerWaalsContact O-N 3.16Å; K99-D101 PolarHBondContact O-N 3.3Å
100I61.2Low62.1Low147 Ų147121.2 Ų121.275%0.75470%0.695SS**  trans-55.4112.2162.7-59.4170.7000106.9L98 I102L98-I100 PolarHBondContact O-N 3.35Å; I100-I102 PolarHBondContact O-N 3.23Å
101D55.9Low60.5Low135 Ų135128.4 Ų128.472%0.72272%0.72SS**  trans-73.8121.4176.3-154.3-14000108.5K99K99-D101 PolarHBondContact O-N 3.3Å
102I60.3Low58.4Low152 Ų152135.9 Ų135.978%0.77974%0.742SS**SBendtrans-92.6-11-170.6-70.4172.6000111.2I100I100-I102 PolarHBondContact O-N 3.23Å
103D55.6Low56.5Low151 Ų151137.6 Ų137.681%0.80776%0.755SS**  trans-108.18.2-168.8-105.4-77.1000115.4G105D103-G105 PolarHBondContact O-N 3.07Å; D103-G105 VanDerWaalsContact O-N 3.1Å
104D46.8Very low54.8Low149 Ų149137 Ų13780%0.79777%0.766SS**  trans-83.979.2169.2-164.621.9000111.6C106D104-C106 PolarHBondContact O-N 3.11Å
105G50.4Low52.9Low78 Ų78134.3 Ų134.380%0.80477%0.774SS**  trans-81103.8-175.600000114D103D103-G105 PolarHBondContact O-N 3.07Å; D103-G105 VanDerWaalsContact O-N 3.1Å
106C46.8Very low51.5Low116 Ų116137 Ų13778%0.78479%0.785SS**  trans-140.1104.5166-168.60000113.3D104D104-C106 PolarHBondContact O-N 3.11Å
107C39.9Very low50.2Low135 Ų135136.9 Ų136.991%0.91280%0.797SS**  trans-149.5111.3153.9-1220000109.4
108E41.4Very low49.6Very low192 Ų192142.5 Ų142.590%0.89781%0.81SS**  trans-68158.5179.3-167.7173.2-173.100111.7
109G42.7Very low48.7Very low80 Ų80141.7 Ų141.783%0.82581%0.813SS**  trans-69142.5-162.800000116.2
110A40Very low47.7Very low105 Ų105140.1 Ų140.187%0.86882%0.821SS**  trans-131.4121.6159.800000110.1
111Q44Very low47.2Very low201 Ų201138.8 Ų138.894%0.93983%0.825SS**  trans-90.2112.8-174.5172.6-176-37.300111.2
112R37.9Very low46.5Very low249 Ų249136 Ų13694%0.9483%0.828SS**  trans-150.1132.3154.8-146.7169.7-173.8172.41.7116.7
113D42.7Very low45.6Very low148 Ų148136.5 Ų136.579%0.79183%0.825SS**  trans-59.1165.1176-179.234.2000117.5
114A43Very low45.1Very low86 Ų86138.8 Ų138.871%0.71182%0.823SS**  trans75138.3157.500000122.7
115G40.3Very low45.1Very low74 Ų74136.8 Ų136.876%0.76381%0.812SS**  trans89.185.6163.100000115.3
116D48.3Very low45Very low153 Ų153138 Ų13882%0.81881%0.808SS**  54.6104.176.7-167.824.3000116.3
117S47.4Very low44.9Very low117 Ų117136.4 Ų136.482%0.81880%0.799SS**  trans-173101144.9-84.40000111
118R58.8Low44.9Very low233 Ų233138.9 Ų138.988%0.87980%0.797SS**  trans-94.3142.9161.8-79.6-177.6170.3-174.5-2.6110.4
119P51.8Low45Very low127 Ų127133 Ų13383%0.82579%0.788SS**  trans-96.6138.9139.932.2-28.7000110.3
120S47.4Very low44.8Very low115 Ų115138.7 Ų138.780%0.80479%0.793SS**  trans-114.9104.3-1771680000112
121S50.1Low44.7Very low119 Ų119139 Ų13983%0.83279%0.789SS**  trans-166.6136.4160.5560000109.9
122G40.2Very low44.9Very low77 Ų77135 Ų13579%0.79478%0.78SS**  cis-165.3127.5-11.200000108.5
123F43.3Very low45.1Very low161 Ų161133.3 Ų133.371%0.70678%0.78SS**  trans-83.8131.2-174175.8-90.3000111.3D125F123-D125 HydrophobicContact CE2-CB 4.22Å; F123-D125 HydrophobicContact CZ-CB 4.15Å
124Y43.4Very low44.5Very low200 Ų200129.9 Ų129.978%0.78478%0.779SS**  trans-159.2105.9130.3-118.8-77000111.2
125D46.9Very low44.4Very low106 Ų106135.7 Ų135.757%0.56779%0.789SS**  trans-78.6151157.8179.127.9000109.2F123 S127F123-D125 HydrophobicContact CE2-CB 4.22Å; F123-D125 HydrophobicContact CZ-CB 4.15Å; D125-S127 PolarHBondContact OD2-OG 3.04Å
126S48.5Very low44.8Very low103 Ų103137.6 Ų137.672%0.7279%0.787SS**  trans-149.892.3176.9-71.50000110.2
127S44.1Very low44Very low83 Ų83135.9 Ų135.958%0.5879%0.787SS**  trans-83.8155.8-165.3-23.10000113.4D125D125-S127 PolarHBondContact OD2-OG 3.04Å
128E41.6Very low43.3Very low187 Ų187136.1 Ų136.187%0.87479%0.789SS**  trans5989131.9-159.1160.7-150.500120.6
129G43.6Very low42.1Very low68 Ų68128.7 Ų128.770%0.70178%0.778SS**  48.2127.4124.700000123
130Q36.8Very low41.1Very low200 Ų200132.1 Ų132.194%0.93578%0.782SS**  trans-157.4155.3149.3-115.3151.799.900114.2
131S39.9Very low40.3Very low112 Ų112136.2 Ų136.278%0.78378%0.78SS**  trans-112.5162.4172.8-105.40000108.7
132P46.4Very low40.1Very low116 Ų116136.1 Ų136.175%0.75378%0.777SS**  -157.6177.450.942.4-20000119.9
133K42.2Very low39.9Very low215 Ų215139 Ų13994%0.93577%0.77SS**  trans23.8126.7150.8-67.3178.1179172.20122.2
134G31.7Very low40.4Very low76 Ų76136.4 Ų136.478%0.78477%0.769SS**  trans-158.6155.715600000114.3
135K39.5Very low39.7Very low208 Ų208133.3 Ų133.390%0.90477%0.771SS**  trans-154.2-178.9173.6-67.6-170.7175-175.10107.9
136P49.6Very low39Very low113 Ų113133.1 Ų133.173%0.73478%0.778SS**  cis-133.9170.2-11.840-24.1000115.8
137S30.4Very low37.9Very low117 Ų117133.9 Ų133.982%0.81878%0.783SS**  trans174.9129.613830.30000109.4
138S33.9Very low37.3Very low122 Ų122141.5 Ų141.585%0.85380%0.799SS**  81.8129.978.5-139.90000112.7
139A33.6Very low36.8Very low78 Ų78139 Ų13965%0.64580%0.797SS**  cis-150.4158.27.100000114.3
140E31.1Very low36.2Very low198 Ų198144.7 Ų144.793%0.92580%0.799SS**  trans52.8161.4147.9-70-172.1115.600125.8
141R29.3Very low36Very low201 Ų201140.6 Ų140.676%0.75879%0.788SS**  trans-118.6-175-179.8-122.1-165.1159.4-177.6-8.1107.2E143R141-E143 IonicContact CZ-OE1 3.88Å; R141-E143 IonicContact NH2-OE1 2.93Å; R141-E143 PolarHBondContact NH2-OE1 3.34Å
142P46.9Very low35.7Very low118 Ų118140.7 Ų140.777%0.76678%0.779SS**  cis-133.8-178.111.936.6-14.5000116.8
143E34.9Very low35.1Very low136 Ų136143 Ų14364%0.63679%0.786SS**  trans-81.5-168.1167.3-44.6166.5-149.100110.8R141R141-E143 IonicContact CZ-OE1 3.88Å; R141-E143 IonicContact NH2-OE1 2.93Å; R141-E143 PolarHBondContact NH2-OE1 3.34Å
144P55.1Low34.8Very low107 Ų107141.6 Ų141.670%0.69577%0.774SS**  cis-138.7-167.2-7.125.51.2000115.5
145V27.6Very low35.8Very low136 Ų136143 Ų14382%0.82477%0.77SS**  trans117124.4144.9-173.50000119.1
146S32Very low35.9Very low102 Ų102141.3 Ų141.371%0.71376%0.762SS**  trans-47.8146.4169.5154.30000118.7
147S26.7Very low35.1Very low119 Ų119140.5 Ų140.583%0.83276%0.759SS**  trans-156.4163.4144.653.40000113.1
148W29.8Very low35.5Very low242 Ų242142.5 Ų142.592%0.91776%0.76SS**  trans-91.6155.6-171.6-53.3-33.9000115.3
149T31.4Very low35.6Very low134 Ų134140.2 Ų140.282%0.82276%0.756SS**  178.7136.9121.324.50000110.2
150Y30.6Very low35.5Very low188 Ų188144 Ų14474%0.73777%0.765SS**  64.9127.888.7-138.1-123.6000112.9N152Y150-N152 PolarHBondContact OH-ND2 3.48Å; Y150-N152 VanDerWaalsContact OH-ND2 3.14Å
151T32.7Very low35.7Very low115 Ų115141.6 Ų141.671%0.70676%0.759SS**  cis-145.8154.845.847.60000117.2
152N35.3Very low35.9Very low114 Ų114141.5 Ų141.561%0.6176%0.764SS**  trans-12.5153.7156.9-45.5-71.8000122.7Y150Y150-N152 PolarHBondContact OH-ND2 3.48Å; Y150-N152 VanDerWaalsContact OH-ND2 3.14Å
153D32.8Very low35.5Very low165 Ų165144.1 Ų144.188%0.88277%0.768SS**  -149.1162.8120.3-141.4-29000112.6
154R36.2Very low35.6Very low184 Ų184145.7 Ų145.769%0.69478%0.78SS**  trans-160145.9-168.8-166.2-136.1178.2178.2-1.2115.5
155P52.4Low34.5Very low107 Ų107148.3 Ų148.370%0.69579%0.788SS**  -140.9130.3123.929.2-11.6000114.6
156K42.8Very low34.6Very low172 Ų172145.4 Ų145.475%0.74879%0.785SS**  79.3143.7101.4-62.4170-173175.80112.9
157S31.4Very low34.7Very low95 Ų95149 Ų14966%0.66479%0.791SS**  cis-148.3140.69.9-150.10000109.4
158L39.5Very low34.9Very low159 Ų159151.4 Ų151.483%0.83279%0.787SS**  35.8136.2101.7-53.5167.6000114.8
159G35Very low35.1Very low75 Ų75146.1 Ų146.177%0.77378%0.777SS**  cis138.6162.723.700000106.9
160D31.3Very low35.7Very low157 Ų157145.7 Ų145.784%0.8477%0.773SS**  cis-159.6176.42-159.7-9.8000109.1
161N36.6Very low36.1Very low147 Ų147142.3 Ų142.379%0.78678%0.775SS**  trans-82.6148.6176.7-85.3-30.6000113.5
162F34Very low36.1Very low200 Ų200142.8 Ų142.888%0.87778%0.777SS**  trans-137.1142156.6-91.9-83.2000112.1
163M37.8Very low36.3Very low172 Ų172145.4 Ų145.485%0.84779%0.789SS**  trans-112.2142.2172.7-68.8-98.884.100109.3
164L37.6Very low36.3Very low169 Ų169148.5 Ų148.589%0.88579%0.789SS**  trans-149.1148.7156.5-143.976.5000111.7
165N31Very low36.6Very low163 Ų163145.3 Ų145.387%0.87279%0.792SS**  trans-56.4162.7-171.7-49-30.2000115.5
166G30.4Very low35.7Very low74 Ų74145.8 Ų145.876%0.76380%0.798SS**  trans177.18.6160.900000125.1
167E33.1Very low35.5Very low177 Ų177145 Ų14583%0.82780%0.801SS**  trans64157.1164.4-125.1177.2140.100120.3
168F32.2Very low35.9Very low170 Ų170146.6 Ų146.675%0.74681%0.809SS**  trans57.4141.2174.3-80.5-101.5000118.6
169D33.9Very low35.9Very low131 Ų131150.2 Ų150.270%0.70181%0.812SS**  cis-148171.2-6.2-156.2-7000110.9
170V42.7Very low36.2Very low125 Ų125151.7 Ų151.776%0.75881%0.81SS**  trans-107.5133.1-170.6175.40000113.7
171P40Very low36.5Very low117 Ų117154.2 Ų154.276%0.7681%0.814SS**  trans-126103.515331.5-16.9000114.4
172V32.4Very low36.7Very low125 Ų125152.6 Ų152.676%0.75881%0.814SS**  trans30.7105.5137.4-170.80000118.8
173I39.2Very low37.1Very low169 Ų169146.9 Ų146.987%0.86780%0.804SS**  trans-80.8118.7162.4-59.4168000110.3
174R33.8Very low37.7Very low230 Ų230144.8 Ų144.887%0.86880%0.803SS**  trans-149.7159154.5-80.9-142.8172.5-175.7-0.3112
175P41.5Very low37.8Very low117 Ų117145 Ų14576%0.7680%0.799SS**PPolyproline II helixtrans-102.4155.2-143.537.6-36.6000116.3
176S34.2Very low38.8Very low117 Ų117142.4 Ų142.482%0.81879%0.791SS**PPolyproline II helixtrans-96.8152.3163.550.80000111.8
177L38.4Very low39.5Very low155 Ų155143.6 Ų143.681%0.81279%0.786SS**PPolyproline II helixtrans-85.3156.8177-89.774.7000111.5R179L177-R179 PolarHBondContact O-N 3.11Å
178P40.3Very low40.3Very low130 Ų130143.4 Ų143.484%0.84479%0.789SS**PPolyproline II helixtrans-64.8125.4179.526.8-34.9000111.7
179R38.6Very low40.9Very low234 Ų234143.3 Ų143.388%0.88379%0.791SS**PPolyproline II helixtrans-84.8139.8169.1-165.9173.7-177.998.4-3.8109.2L177L177-R179 PolarHBondContact O-N 3.11Å
180S40.4Very low41.7Very low106 Ų106140.7 Ų140.774%0.74180%0.795SS**PPolyproline II helixtrans-66.2144179.647.40000112.3S182S180-S182 PolarHBondContact O-N 2.73Å
181F38Very low41.9Very low210 Ų210143 Ų14392%0.92180%0.801SS**PPolyproline II helixtrans-68.8121.4178.2-72.5-96.6000112
182S41.8Very low42Very low113 Ų113143.8 Ų143.879%0.7980%0.804SS**  trans-110.7150.5151.1-62.20000107.6S180S180-S182 PolarHBondContact O-N 2.73Å
183A42.8Very low42.8Very low80 Ų80147 Ų14766%0.66181%0.811SS**PPolyproline II helixtrans-67.8146.2-170.700000112.9
184P48.6Very low42.9Very low128 Ų128148.3 Ų148.383%0.83181%0.813SS**PPolyproline II helixtrans-62.1137.8174-17.430.6000111
185H40.1Very low42.9Very low174 Ų174140.9 Ų140.981%0.80681%0.808SS**PPolyproline II helixtrans-87.9147.3160.5-68.826.5000108.4
186P51.8Low43Very low109 Ų109141.3 Ų141.371%0.70881%0.813SS**PPolyproline II helixtrans-67148.317130.3-34.4000110.3
187P45Very low43.1Very low99 Ų99142.1 Ų142.164%0.64381%0.813SS**PPolyproline II helixtrans-67.6145171.530.7-34.5000110.5
188L50.3Low43.8Very low172 Ų172138.5 Ų138.590%0.90181%0.813SS**  trans-103.278170.1-73.6170.3000108.9G190L188-G190 PolarHBondContact O-N 3.04Å
189E45.4Very low43.5Very low169 Ų169137.4 Ų137.479%0.7980%0.8SS**  trans-60.2123.1159.4-92.977.2-161.600109.5
190G49.7Very low43.3Very low76 Ų76130.6 Ų130.678%0.78479%0.788SS**  trans131.229.2160.900000119.8L188L188-G190 PolarHBondContact O-N 3.04Å
191I46.7Very low43Very low173 Ų173137.6 Ų137.689%0.88780%0.799SS**  trans-129.9137.7157.5-41.3179000108.5
192V42.7Very low42.8Very low133 Ų133135.2 Ų135.281%0.80678%0.784SS**  trans-86.7155.9-170.577.30000112.5
193E49.9Very low42.6Very low194 Ų194141.2 Ų141.291%0.90779%0.789SS**  trans-68.2129.8169.4-71.5-174.8109.900111.8
194E41.1Very low42.1Very low196 Ų196143 Ų14392%0.91679%0.788SS**  trans-151.1147.6154-171166.6-147.300110.3
195G33.8Very low41.9Very low73 Ų73141.5 Ų141.575%0.75378%0.776SS**  trans8381158.200000117.9V197G195-V197 PolarHBondContact O-N 2.85Å
196S44.1Very low42.3Very low126 Ų126135.8 Ų135.888%0.88176%0.756SS**  trans-72.6107166.1172.70000112.5
197V36.2Very low41.8Very low135 Ų135136.6 Ų136.682%0.81876%0.758SS**  trans-138.9129.6143.9-178.80000107.6G195 D199G195-V197 PolarHBondContact O-N 2.85Å; V197-D199 PolarHBondContact O-N 3.24Å
198G51.9Low41.7Very low78 Ų78134.5 Ų134.580%0.80475%0.749SS**  trans-77.1111.5176.500000111
199D34.6Very low41.4Very low107 Ų107128.7 Ų128.757%0.57272%0.723SS**  trans-94.1143172.6-147-27.9000112.1V197 R202V197-D199 PolarHBondContact O-N 3.24Å; D199-R202 VanDerWaalsContact CG-NH2 3.28Å; D199-R202 IonicContact OD1-CZ 2.72Å; D199-R202 IonicContact OD1-NE 3.16Å; D199-R202 PolarHBondContact OD1-NE 3.31Å; D199-R202 IonicContact OD1-NH2 3.4Å; D199-R202 PolarHBondContact OD1-NH2 2.96Å; D199-R202 IonicContact OD2-CZ 3.61Å; D199-R202 IonicContact OD2-NE 3.49Å; D199-R202 PolarHBondContact OD2-NE 3.19Å; D199-R202 IonicContact OD2-NH2 3.19Å; D199-R202 PolarHBondContact OD2-NH2 3.26Å
200S34.9Very low41.1Very low91 Ų91128 Ų12864%0.63672%0.72SS**  trans-70.1154.4174.5-172.80000110.3R202S200-R202 PolarHBondContact O-N 3.33Å
201W33.3Very low40.6Very low254 Ų254129.7 Ų129.796%0.96272%0.715SS**  trans-71.471.7166.1-71.891.3000110
202R33.9Very low40.3Very low159 Ų159130.5 Ų130.560%0.671%0.707SS**  trans-71.4129.1169.258.2-178.175.4-1589.7108.6D199 S200 D204D199-R202 VanDerWaalsContact CG-NH2 3.28Å; D199-R202 IonicContact OD1-CZ 2.72Å; D199-R202 IonicContact OD1-NE 3.16Å; D199-R202 PolarHBondContact OD1-NE 3.31Å; D199-R202 IonicContact OD1-NH2 3.4Å; D199-R202 PolarHBondContact OD1-NH2 2.96Å; D199-R202 IonicContact OD2-CZ 3.61Å; D199-R202 IonicContact OD2-NE 3.49Å; D199-R202 PolarHBondContact OD2-NE 3.19Å; D199-R202 IonicContact OD2-NH2 3.19Å; D199-R202 PolarHBondContact OD2-NH2 3.26Å; S200-R202 PolarHBondContact O-N 3.33Å; R202-D204 PolarHBondContact O-N 3.49Å
203W38.2Very low40.2Very low239 Ų239131.6 Ų131.691%0.90570%0.703SS**  trans-72.4123.3167.3-62.2105.7000107.9T205W203-T205 VanDerWaalsContact C-N 3.28Å; W203-T205 PolarHBondContact O-N 2.72Å; W203-T205 PolarHBondContact O-OG1 2.94Å
204D32.7Very low39.9Very low119 Ų119131 Ų13164%0.63670%0.7SS**  trans-78.776.9-177.3-112.6-51.7000111.7R202 S206R202-D204 PolarHBondContact O-N 3.49Å; D204-S206 PolarHBondContact O-N 3.11Å; D204-S206 VanDerWaalsContact O-N 3.1Å; D204-S206 WeakPolarHBondContact OD1-CB 3.4Å; D204-S206 PolarHBondContact OD1-OG 3.13Å
205T43.8Very low39.8Very low96 Ų96128.9 Ų128.959%0.58969%0.691SS**THydrogen-bonded Turntrans-66.6-0.5169.6-37.10000112.2W203 A208 S209W203-T205 VanDerWaalsContact C-N 3.28Å; W203-T205 PolarHBondContact O-N 2.72Å; W203-T205 PolarHBondContact O-OG1 2.94Å; T205-A208 PolarHBondContact O-N 2.73Å; T205-S209 PolarHBondContact O-N 2.79Å; T205-S209 VanDerWaalsContact O-N 3.16Å; T205-S209 PolarHBondContact O-OG 3.08Å
206S48.4Very low40.1Very low54 Ų54134.7 Ų134.738%0.37870%0.698SS.*THydrogen-bonded Turntrans-65-51.3-176.756.10000113.1D204 A208 S209D204-S206 PolarHBondContact O-N 3.11Å; D204-S206 VanDerWaalsContact O-N 3.1Å; D204-S206 WeakPolarHBondContact OD1-CB 3.4Å; D204-S206 PolarHBondContact OD1-OG 3.13Å; S206-A208 PolarHBondContact O-N 3.37Å; S206-S209 WeakPolarHBondContact O-CB 3.45Å; S206-S209 PolarHBondContact O-N 2.87Å
207V41.9Very low40.1Very low125 Ų125132.5 Ų132.576%0.75868%0.681SS**THydrogen-bonded Turntrans-66.9-29.2179.2-173.70000111.2S209V207-S209 VanDerWaalsContact C-N 3.31Å
208A42.9Very low40.7Very low55 Ų55130 Ų13046%0.45568%0.675SS.*THydrogen-bonded Turntrans-80.4-3.717300000114.1T205 S206T205-A208 PolarHBondContact O-N 2.73Å; S206-A208 PolarHBondContact O-N 3.37Å
209S42.8Very low40.7Very low50 Ų50134.6 Ų134.635%0.3568%0.675SS.*THydrogen-bonded Turntrans-92-32.3-179.3-65.60000113.4T205 S206 V207T205-S209 PolarHBondContact O-N 2.79Å; T205-S209 VanDerWaalsContact O-N 3.16Å; T205-S209 PolarHBondContact O-OG 3.08Å; S206-S209 WeakPolarHBondContact O-CB 3.45Å; S206-S209 PolarHBondContact O-N 2.87Å; V207-S209 VanDerWaalsContact C-N 3.31Å
210H39.9Very low41.9Very low156 Ų156136.3 Ų136.372%0.72268%0.684SS**THydrogen-bonded Turntrans-79-22.6-171.7-88.6-63.5000115.4
211T39.2Very low43.4Very low110 Ų110139.4 Ų139.468%0.67569%0.689SS**THydrogen-bonded Turntrans-86-15.517544.60000113.8
212W40.6Very low45.2Very low191 Ų191132.7 Ų132.772%0.72367%0.67SS**THydrogen-bonded Turntrans-100.5-3.7-176.8-70.484.9000114.1
213Q40.2Very low47.6Very low155 Ų155127.8 Ų127.872%0.72466%0.658SS**SBendtrans-86.8-5.4177.8-78.8-175.6-11.700114.9
214Q43.6Very low49.7Very low181 Ų181121.9 Ų121.985%0.84664%0.641SS**SBendtrans-113.811.8177.7-150.5171.214.800114.6
215Q39.6Very low52.3Low153 Ų153121.9 Ų121.972%0.71564%0.637SS**  trans-135.6109.5159.5-131107.410.600108.4P217Q215-P217 WeakPolarHBondContact O-CD 3.43Å
216Q40.1Very low54.5Low194 Ų194121.3 Ų121.391%0.90763%0.63SS**  trans-82.7105.1146.7-78.9-165.2-36.200106.5
217P44Very low56.5Low80 Ų80124.6 Ų124.652%0.51964%0.635SS.*  trans-57.3160.8141.231.8-34.3000108.1Q215Q215-P217 WeakPolarHBondContact O-CD 3.43Å
218A48.7Very low59Low84 Ų84122.5 Ų122.569%0.69462%0.617SS**  trans-57.5164.3164.900000109.7D220A218-D220 VanDerWaalsContact C-N 3.34Å; A218-D220 PolarHBondContact O-N 2.95Å
219E51Low61.3Low174 Ų174124.4 Ų124.481%0.81362%0.617SS**  trans-60.9101.9166.9-67.2-173.7173.600108.6Q221E219-Q221 PolarHBondContact O-N 2.92Å
220D61.3Low63.8Low143 Ų143124.5 Ų124.577%0.76562%0.621SS**  trans-64.881.8165.6-81.5-27.3000107A218 I222A218-D220 VanDerWaalsContact C-N 3.34Å; A218-D220 PolarHBondContact O-N 2.95Å; D220-I222 PolarHBondContact O-N 3.4Å
221Q64.7Low66.3Low156 Ų156124 Ų12473%0.72962%0.616SS**  trans-58.399.6175.3-75.3164.979.600107.6E219 T223E219-Q221 PolarHBondContact O-N 2.92Å; Q221-T223 VanDerWaalsContact O-CG2 3.24Å; Q221-T223 WeakPolarHBondContact O-CG2 3.11Å; Q221-T223 PolarHBondContact O-N 3.34Å
222I72.8Confident68.9Low112 Ų112124.7 Ų124.757%0.57461%0.607SS**  trans-48.6110.3178.4-60.7173.9000107.7D220 D226 Y227D220-I222 PolarHBondContact O-N 3.4Å; I222-D226 HydrophobicContact CG2-CB 4Å; I222-Y227 HydrophobicContact CB-CE2 4.18Å; I222-Y227 HydrophobicContact CG2-CD2 4.07Å; I222-Y227 HydrophobicContact CG2-CE1 4.38Å; I222-Y227 HydrophobicContact CG2-CE2 3.57Å
223T83.7Confident71.5Confident56 Ų56118.8 Ų118.834%0.34459%0.591SS.*  trans-77.2158.8-164.663.50000110.4Q221 E225 D226 Y227Q221-T223 VanDerWaalsContact O-CG2 3.24Å; Q221-T223 WeakPolarHBondContact O-CG2 3.11Å; Q221-T223 PolarHBondContact O-N 3.34Å; T223-E225 WeakPolarHBondContact CB-OE2 3.09Å; T223-E225 PolarHBondContact O-N 3.13Å; T223-D226 WeakPolarHBondContact CB-OD2 3.22Å; T223-D226 PolarHBondContact N-OD2 2.93Å; T223-D226 WeakPolarHBondContact O-CB 3.29Å; T223-D226 PolarHBondContact O-N 3.15Å; T223-D226 PolarHBondContact OG1-N 3.46Å; T223-D226 PolarHBondContact OG1-OD2 2.87Å; T223-Y227 VanDerWaalsContact O-CD2 3.26Å; T223-Y227 WeakPolarHBondContact O-CD2 3.25Å; T223-Y227 PolarHBondContact O-N 3.22Å; T223-Y227 VanDerWaalsContact O-N 3.11Å
224E82.8Confident74.1Confident115 Ų115116.2 Ų116.254%0.53758%0.579SS.*Hα-helixtrans-58.7-32.9171.1172.957.3-148.100110D226 Y227 Q228E224-D226 PolarHBondContact O-N 3.12Å; E224-Y227 PolarHBondContact O-N 3.41Å; E224-Q228 WeakPolarHBondContact O-CB 3.31Å; E224-Q228 VanDerWaalsContact O-CG 3.25Å; E224-Q228 WeakPolarHBondContact O-CG 3.37Å; E224-Q228 PolarHBondContact O-N 3.37Å; E224-Q228 PolarHBondContact OE1-NE2 3.05Å
225E85.8Confident76.6Confident120 Ų120109.5 Ų109.556%0.56156%0.559SS**Hα-helixtrans-61.7-38172.5-67.166.6-15500112.9T223 Q229 R232T223-E225 WeakPolarHBondContact CB-OE2 3.09Å; T223-E225 PolarHBondContact O-N 3.13Å; E225-Q229 VanDerWaalsContact O-CB 3.32Å; E225-Q229 WeakPolarHBondContact O-CB 3.18Å; E225-Q229 PolarHBondContact O-N 3.04Å; E225-R232 PolarHBondContact O-NH2 3.18Å
226D90.6Very high79.3Confident84 Ų84108.8 Ų108.845%0.44955%0.551SS.*Hα-helixtrans-69.5-44.2174.9-66.5-52.4000111.9I222 T223 E224 Q228 Q229 A230I222-D226 HydrophobicContact CG2-CB 4Å; T223-D226 WeakPolarHBondContact CB-OD2 3.22Å; T223-D226 PolarHBondContact N-OD2 2.93Å; T223-D226 WeakPolarHBondContact O-CB 3.29Å; T223-D226 PolarHBondContact O-N 3.15Å; T223-D226 PolarHBondContact OG1-N 3.46Å; T223-D226 PolarHBondContact OG1-OD2 2.87Å; E224-D226 PolarHBondContact O-N 3.12Å; D226-Q228 VanDerWaalsContact C-N 3.32Å; D226-Q228 PolarHBondContact O-N 3.22Å; D226-Q229 CarbonylContact O-C 3.59Å; D226-Q229 WeakPolarHBondContact O-CA 3.45Å; D226-Q229 WeakPolarHBondContact O-CB 3.33Å; D226-Q229 PolarHBondContact O-N 3.29Å; D226-Q229 VanDerWaalsContact O-N 3.09Å; D226-A230 PolarHBondContact O-N 3.46Å
227Y90.4Very high82Confident122 Ų122104 Ų10448%0.47853%0.529SS..Hα-helixtrans-60.3-44.4173.4-74.7-71.4000111.1I222 T223 E224 Q229 A230 F231I222-Y227 HydrophobicContact CB-CE2 4.18Å; I222-Y227 HydrophobicContact CG2-CD2 4.07Å; I222-Y227 HydrophobicContact CG2-CE1 4.38Å; I222-Y227 HydrophobicContact CG2-CE2 3.57Å; T223-Y227 VanDerWaalsContact O-CD2 3.26Å; T223-Y227 WeakPolarHBondContact O-CD2 3.25Å; T223-Y227 PolarHBondContact O-N 3.22Å; T223-Y227 VanDerWaalsContact O-N 3.11Å; E224-Y227 PolarHBondContact O-N 3.41Å; Y227-Q229 VanDerWaalsContact C-N 3.29Å; Y227-Q229 PolarHBondContact O-N 3.06Å; Y227-A230 WeakPolarHBondContact O-CB 3.41Å; Y227-A230 PolarHBondContact O-N 2.87Å; Y227-F231 WeakPolarHBondContact O-CD2 3.44Å; Y227-F231 PolarHBondContact O-N 2.87Å
228Q93.6Very high84.4Confident81 Ų81105.5 Ų105.538%0.37953%0.533SS..Hα-helixtrans-65.5-32174.2-67.5175.625.100112.4E224 D226 F231 R232E224-Q228 WeakPolarHBondContact O-CB 3.31Å; E224-Q228 VanDerWaalsContact O-CG 3.25Å; E224-Q228 WeakPolarHBondContact O-CG 3.37Å; E224-Q228 PolarHBondContact O-N 3.37Å; E224-Q228 PolarHBondContact OE1-NE2 3.05Å; D226-Q228 VanDerWaalsContact C-N 3.32Å; D226-Q228 PolarHBondContact O-N 3.22Å; Q228-F231 PolarHBondContact O-N 2.81Å; Q228-R232 WeakPolarHBondContact O-CB 3.3Å; Q228-R232 VanDerWaalsContact O-CG 3.28Å; Q228-R232 WeakPolarHBondContact O-CG 3.45Å; Q228-R232 PolarHBondContact O-N 2.76Å
229Q92.8Very high86.4Confident96 Ų96103.8 Ų103.845%0.44952%0.515SS..Hα-helixtrans-68.5-41.9174.2-172.565.9-4.600111.4E225 D226 Y227 R232 V233E225-Q229 VanDerWaalsContact O-CB 3.32Å; E225-Q229 WeakPolarHBondContact O-CB 3.18Å; E225-Q229 PolarHBondContact O-N 3.04Å; D226-Q229 CarbonylContact O-C 3.59Å; D226-Q229 WeakPolarHBondContact O-CA 3.45Å; D226-Q229 WeakPolarHBondContact O-CB 3.33Å; D226-Q229 PolarHBondContact O-N 3.29Å; D226-Q229 VanDerWaalsContact O-N 3.09Å; Y227-Q229 VanDerWaalsContact C-N 3.29Å; Y227-Q229 PolarHBondContact O-N 3.06Å; Q229-R232 VanDerWaalsContact CA-NH2 3.35Å; Q229-R232 PolarHBondContact O-N 3.5Å; Q229-R232 VanDerWaalsContact OE1-CZ 3.3Å; Q229-V233 WeakPolarHBondContact O-CG2 3.37Å; Q229-V233 PolarHBondContact O-N 2.8Å
230A93.6Very high88.5Confident52 Ų5298.1 Ų98.143%0.4349%0.49SS..Hα-helixtrans-58-49.2171.800000111D226 Y227 R232 V233 E234D226-A230 PolarHBondContact O-N 3.46Å; Y227-A230 WeakPolarHBondContact O-CB 3.41Å; Y227-A230 PolarHBondContact O-N 2.87Å; A230-R232 VanDerWaalsContact C-N 3.33Å; A230-R232 PolarHBondContact O-N 2.89Å; A230-V233 CarbonylContact O-C 3.57Å; A230-V233 PolarHBondContact O-N 2.86Å; A230-V233 VanDerWaalsContact O-N 3.11Å; A230-E234 WeakPolarHBondContact O-CG 3.49Å; A230-E234 PolarHBondContact O-N 3.04Å
231F93.6Very high90Very high144 Ų14496.5 Ų96.563%0.63248%0.481SS*.Hα-helixtrans-62.2-35.2175.7-73.8-57.9000113.6Y227 Q228 G235Y227-F231 WeakPolarHBondContact O-CD2 3.44Å; Y227-F231 PolarHBondContact O-N 2.87Å; Q228-F231 PolarHBondContact O-N 2.81Å; F231-G235 PolarHBondContact O-N 3.09Å
232R94.2Very high91.2Very high126 Ų12695 Ų9548%0.47547%0.474SS..Hα-helixtrans-64.7-41.7172.2-75.6-178.4-64.6-99.82.2111.6E225 Q228 Q229 A230 Y236E225-R232 PolarHBondContact O-NH2 3.18Å; Q228-R232 WeakPolarHBondContact O-CB 3.3Å; Q228-R232 VanDerWaalsContact O-CG 3.28Å; Q228-R232 WeakPolarHBondContact O-CG 3.45Å; Q228-R232 PolarHBondContact O-N 2.76Å; Q229-R232 VanDerWaalsContact CA-NH2 3.35Å; Q229-R232 PolarHBondContact O-N 3.5Å; Q229-R232 VanDerWaalsContact OE1-CZ 3.3Å; A230-R232 VanDerWaalsContact C-N 3.33Å; A230-R232 PolarHBondContact O-N 2.89Å; R232-Y236 WeakPolarHBondContact O-CB 3.37Å; R232-Y236 PolarHBondContact O-N 3.35Å
233V95.4Very high91.8Very high66 Ų6695.2 Ų95.240%0.447%0.467SS..Hα-helixtrans-70.1-42.9177.8172.20000111.6Q229 A230 Y236 M237Q229-V233 WeakPolarHBondContact O-CG2 3.37Å; Q229-V233 PolarHBondContact O-N 2.8Å; A230-V233 CarbonylContact O-C 3.57Å; A230-V233 PolarHBondContact O-N 2.86Å; A230-V233 VanDerWaalsContact O-N 3.11Å; V233-Y236 WeakPolarHBondContact O-CB 3.34Å; V233-Y236 PolarHBondContact O-N 3.35Å; V233-M237 HydrophobicContact CG1-CE 4.23Å; V233-M237 HydrophobicContact CG1-CG 4.46Å; V233-M237 WeakPolarHBondContact O-CG 3.47Å; V233-M237 PolarHBondContact O-N 3.03Å
234E94.9Very high91.5Very high101 Ų101100.4 Ų100.447%0.47248%0.482SS..Hα-helixtrans-60.9-46.2172.9-73.2-167.1156.300111.8A230 Y236 M237 L238A230-E234 WeakPolarHBondContact O-CG 3.49Å; A230-E234 PolarHBondContact O-N 3.04Å; E234-Y236 VanDerWaalsContact C-N 3.3Å; E234-Y236 PolarHBondContact O-N 3.06Å; E234-M237 HydrophobicContact CG-CE 4.19Å; E234-M237 PolarHBondContact O-N 2.98Å; E234-L238 WeakPolarHBondContact O-CB 3.45Å; E234-L238 WeakPolarHBondContact O-CG 3.45Å; E234-L238 PolarHBondContact O-N 3.28Å
235G95.8Very high91.4Very high40 Ų4098.6 Ų98.641%0.41249%0.486SS..Hα-helixtrans-59.5-39.6174.500000112.6F231 S239F231-G235 PolarHBondContact O-N 3.09Å; G235-S239 WeakPolarHBondContact O-CB 3.43Å; G235-S239 PolarHBondContact O-N 3.1Å
236Y95.4Very high90.3Very high139 Ų13999 Ų9955%0.54549%0.492SS..Hα-helixtrans-64.8-46.8172.8176.9-98.1000112.2R232 V233 E234 S239 L240R232-Y236 WeakPolarHBondContact O-CB 3.37Å; R232-Y236 PolarHBondContact O-N 3.35Å; V233-Y236 WeakPolarHBondContact O-CB 3.34Å; V233-Y236 PolarHBondContact O-N 3.35Å; E234-Y236 VanDerWaalsContact C-N 3.3Å; E234-Y236 PolarHBondContact O-N 3.06Å; Y236-S239 PolarHBondContact O-N 2.82Å; Y236-L240 HydrophobicContact CE1-CD2 4.21Å; Y236-L240 VanDerWaalsContact O-CB 3.3Å; Y236-L240 WeakPolarHBondContact O-CB 3.26Å; Y236-L240 PolarHBondContact O-N 3.09Å
237M96.2Very high88.5Confident92 Ų9299.9 Ų99.945%0.45350%0.496SS..Hα-helixtrans-61.7-46.6177.6-73.4-167.8-62.700111.9V233 E234 S239 L240 I241V233-M237 HydrophobicContact CG1-CE 4.23Å; V233-M237 HydrophobicContact CG1-CG 4.46Å; V233-M237 WeakPolarHBondContact O-CG 3.47Å; V233-M237 PolarHBondContact O-N 3.03Å; E234-M237 HydrophobicContact CG-CE 4.19Å; E234-M237 PolarHBondContact O-N 2.98Å; M237-S239 PolarHBondContact O-N 2.65Å; M237-L240 WeakPolarHBondContact O-CB 3.44Å; M237-L240 PolarHBondContact O-N 3.42Å; M237-L240 VanDerWaalsContact O-N 3.15Å; M237-I241 WeakPolarHBondContact O-CB 3.22Å; M237-I241 VanDerWaalsContact O-CG1 3.26Å; M237-I241 WeakPolarHBondContact O-CG1 3.38Å; M237-I241 PolarHBondContact O-N 3.07Å
238L95.4Very high86.7Confident113 Ų11398.8 Ų98.859%0.59250%0.504SS*.Hα-helixtrans-62.7-41.7176.6-70.7171.2000111.4E234 L240 I241 Q242E234-L238 WeakPolarHBondContact O-CB 3.45Å; E234-L238 WeakPolarHBondContact O-CG 3.45Å; E234-L238 PolarHBondContact O-N 3.28Å; L238-L240 VanDerWaalsContact C-N 3.34Å; L238-L240 PolarHBondContact O-N 2.77Å; L238-I241 PolarHBondContact O-N 3.26Å; L238-Q242 VanDerWaalsContact O-CB 3.23Å; L238-Q242 WeakPolarHBondContact O-CB 3.43Å; L238-Q242 PolarHBondContact O-N 3.26Å
239S91.6Very high84.6Confident48 Ų48105.4 Ų105.434%0.33653%0.525SS..Hα-helixtrans-63.6-37.4172.51750000112.5G235 Y236 M237 R243G235-S239 WeakPolarHBondContact O-CB 3.43Å; G235-S239 PolarHBondContact O-N 3.1Å; Y236-S239 PolarHBondContact O-N 2.82Å; M237-S239 PolarHBondContact O-N 2.65Å; S239-R243 WeakPolarHBondContact O-CB 3.24Å; S239-R243 VanDerWaalsContact O-CG 3.27Å; S239-R243 WeakPolarHBondContact O-CG 3.31Å; S239-R243 PolarHBondContact O-N 3Å; S239-R243 PolarHBondContact O-NE 2.86Å; S239-R243 PolarHBondContact OG-NE 3.01Å; S239-R243 PolarHBondContact OG-NH2 3.03Å
240L93.7Very high82.6Confident55 Ų55107 Ų10729%0.28854%0.544SS..Hα-helixtrans-67.3-47.7176.2-162.171.7000110.9Y236 M237 L238 R243 Y244Y236-L240 HydrophobicContact CE1-CD2 4.21Å; Y236-L240 VanDerWaalsContact O-CB 3.3Å; Y236-L240 WeakPolarHBondContact O-CB 3.26Å; Y236-L240 PolarHBondContact O-N 3.09Å; M237-L240 WeakPolarHBondContact O-CB 3.44Å; M237-L240 PolarHBondContact O-N 3.42Å; M237-L240 VanDerWaalsContact O-N 3.15Å; L238-L240 VanDerWaalsContact C-N 3.34Å; L238-L240 PolarHBondContact O-N 2.77Å; L240-R243 PolarHBondContact O-N 2.82Å; L240-Y244 HydrophobicContact CD1-CD2 4.33Å; L240-Y244 HydrophobicContact CD1-CE2 3.78Å; L240-Y244 HydrophobicContact CD2-CE2 4.49Å; L240-Y244 HydrophobicContact CG-CD2 3.97Å; L240-Y244 HydrophobicContact CG-CE2 3.8Å; L240-Y244 VanDerWaalsContact O-CD2 3.23Å; L240-Y244 WeakPolarHBondContact O-CD2 3.47Å; L240-Y244 PolarHBondContact O-N 3.37Å
241I92.8Very high80.4Confident109 Ų109109.1 Ų109.156%0.55955%0.554SS**Hα-helixtrans-60.8-46.2175.2-68.3163.3000110.5M237 L238 R243 Y244 A245M237-I241 WeakPolarHBondContact O-CB 3.22Å; M237-I241 VanDerWaalsContact O-CG1 3.26Å; M237-I241 WeakPolarHBondContact O-CG1 3.38Å; M237-I241 PolarHBondContact O-N 3.07Å; L238-I241 PolarHBondContact O-N 3.26Å; I241-R243 VanDerWaalsContact C-N 3.33Å; I241-R243 PolarHBondContact O-N 3.38Å; I241-Y244 PolarHBondContact O-N 3.25Å; I241-A245 WeakPolarHBondContact O-CB 3.35Å; I241-A245 PolarHBondContact O-N 2.89Å
242Q90.1Very high78.1Confident125 Ų125109.9 Ų109.958%0.58456%0.56SS**Hα-helixtrans-60.8-42.1177.2-175.1177.17.800111.4L238 L246L238-Q242 VanDerWaalsContact O-CB 3.23Å; L238-Q242 WeakPolarHBondContact O-CB 3.43Å; L238-Q242 PolarHBondContact O-N 3.26Å; Q242-L246 HydrophobicContact CG-CD1 3.78Å; Q242-L246 HydrophobicContact CG-CG 4.4Å; Q242-L246 VanDerWaalsContact O-CB 3.29Å; Q242-L246 WeakPolarHBondContact O-CB 3.32Å; Q242-L246 VanDerWaalsContact O-CG 3.27Å; Q242-L246 WeakPolarHBondContact O-CG 2.74Å; Q242-L246 PolarHBondContact O-N 3.04Å
243R85.8Confident75.5Confident115 Ų115108.7 Ų108.743%0.43457%0.568SS.*Hα-helixtrans-61-51173-77.1172.8-72.5174.12.7111.2S239 L240 I241 A245 L246 L247S239-R243 WeakPolarHBondContact O-CB 3.24Å; S239-R243 VanDerWaalsContact O-CG 3.27Å; S239-R243 WeakPolarHBondContact O-CG 3.31Å; S239-R243 PolarHBondContact O-N 3Å; S239-R243 PolarHBondContact O-NE 2.86Å; S239-R243 PolarHBondContact OG-NE 3.01Å; S239-R243 PolarHBondContact OG-NH2 3.03Å; L240-R243 PolarHBondContact O-N 2.82Å; I241-R243 VanDerWaalsContact C-N 3.33Å; I241-R243 PolarHBondContact O-N 3.38Å; R243-A245 PolarHBondContact O-N 3.44Å; R243-L246 PolarHBondContact O-N 3.23Å; R243-L247 WeakPolarHBondContact O-CB 3.35Å; R243-L247 WeakPolarHBondContact O-CD1 3.45Å; R243-L247 PolarHBondContact O-N 2.91Å
244Y77Confident72.8Confident165 Ų165116 Ų11665%0.64759%0.589SS**Hα-helixtrans-71.8-23.3-179-75.6-65.2000115.1L240 I241 L247L240-Y244 HydrophobicContact CD1-CD2 4.33Å; L240-Y244 HydrophobicContact CD1-CE2 3.78Å; L240-Y244 HydrophobicContact CD2-CE2 4.49Å; L240-Y244 HydrophobicContact CG-CD2 3.97Å; L240-Y244 HydrophobicContact CG-CE2 3.8Å; L240-Y244 VanDerWaalsContact O-CD2 3.23Å; L240-Y244 WeakPolarHBondContact O-CD2 3.47Å; L240-Y244 PolarHBondContact O-N 3.37Å; I241-Y244 PolarHBondContact O-N 3.25Å; Y244-L247 HydrophobicContact CD1-CD2 4.49Å
245A80.1Confident70.5Confident77 Ų77117.3 Ų117.364%0.63660%0.604SS**Hα-helixtrans-81-32.1174.400000112.7I241 R243I241-A245 WeakPolarHBondContact O-CB 3.35Å; I241-A245 PolarHBondContact O-N 2.89Å; R243-A245 PolarHBondContact O-N 3.44Å
246L64.2Low67.8Low129 Ų129121.3 Ų121.368%0.67562%0.62SS**Hα-helixtrans-90.1-17.6175.9-62.7178.6000113.3Q242 R243 P248Q242-L246 HydrophobicContact CG-CD1 3.78Å; Q242-L246 HydrophobicContact CG-CG 4.4Å; Q242-L246 VanDerWaalsContact O-CB 3.29Å; Q242-L246 WeakPolarHBondContact O-CB 3.32Å; Q242-L246 VanDerWaalsContact O-CG 3.27Å; Q242-L246 WeakPolarHBondContact O-CG 2.74Å; Q242-L246 PolarHBondContact O-N 3.04Å; R243-L246 PolarHBondContact O-N 3.23Å; L246-P248 VanDerWaalsContact O-CD 3.29Å; L246-P248 WeakPolarHBondContact O-CD 3.35Å
247L51.2Low65.1Low102 Ų102122.7 Ų122.753%0.53464%0.637SS.*SBendtrans-64116.7167.9-11070.2000109.3R243 Y244 R249R243-L247 WeakPolarHBondContact O-CB 3.35Å; R243-L247 WeakPolarHBondContact O-CD1 3.45Å; R243-L247 PolarHBondContact O-N 2.91Å; Y244-L247 HydrophobicContact CD1-CD2 4.49Å; L247-R249 PolarHBondContact O-N 3.45Å
248P53Low62.3Low100 Ų100124.9 Ų124.965%0.64966%0.655SS**  trans-67.3112.6175.127.7-32.8000108.8L246L246-P248 VanDerWaalsContact O-CD 3.29Å; L246-P248 WeakPolarHBondContact O-CD 3.35Å
249R50.6Low59.9Low220 Ų220125.3 Ų125.383%0.8367%0.665SS**  trans-45.1128.8176.3-72.1-176.8176.8-176.1-1.2110L247 C251L247-R249 PolarHBondContact O-N 3.45Å; R249-C251 PolarHBondContact O-N 2.88Å
250P49.9Very low57.1Low129 Ų129130.5 Ų130.584%0.83869%0.689SS**SBendtrans-67.8-1174.528.1-34.4000113.3Q252P250-Q252 PolarHBondContact O-N 3.1Å
251C48.5Very low54.6Low96 Ų96132.9 Ų132.965%0.64971%0.707SS**  trans-100.649.1-172.7-54.90000113.8R249R249-C251 PolarHBondContact O-N 2.88Å
252Q43.5Very low51.9Low161 Ų161132.7 Ų132.775%0.75271%0.712SS**SBendtrans-146.6142.3155.3-79.4-55.6-6800110P250 R254P250-Q252 PolarHBondContact O-N 3.1Å; Q252-R254 PolarHBondContact O-N 3.37Å
253P41.6Very low49.2Very low100 Ų100137 Ų13765%0.64972%0.724SS**  trans-69.2115.717228.9-32.9000110.3T255P253-T255 PolarHBondContact O-N 3.01Å
254R37.4Very low46.7Very low219 Ų219137.6 Ų137.683%0.82675%0.746SS**  trans-60.9104.6177.4-88.7-175.2162.4112-6.2111.1Q252Q252-R254 PolarHBondContact O-N 3.37Å
255T47.8Very low44.4Very low129 Ų129133.1 Ų133.179%0.79175%0.75SS**  trans-130.927.4172.853.50000112.9P253P253-T255 PolarHBondContact O-N 3.01Å
256T37.6Very low42.1Very low124 Ų124134.7 Ų134.776%0.76176%0.763SS**  trans-135.1107.7170.344.80000110.5
257L40.2Very low40.6Very low169 Ų169134.8 Ų134.889%0.88577%0.774SS**  trans-118.9110.8157.9-73176.5000106.9
258T37.1Very low39.7Very low137 Ų137132.8 Ų132.884%0.8478%0.779SS**PPolyproline II helixtrans-77.1126.1167.639.80000108.9
259P45.5Very low39Very low123 Ų123136.6 Ų136.680%0.79979%0.787SS**PPolyproline II helixtrans-84.6136.9178.833-32.9000111.6
260D31.4Very low38.2Very low156 Ų156131.9 Ų131.983%0.83479%0.788SS**PPolyproline II helixtrans-79.9148.3155.2-111.3-26.9000109.4
261P42Very low37.4Very low105 Ų105131 Ų13168%0.68279%0.785SS**PPolyproline II helixtrans-70.8150.9172.432.5-34000109.8
262T36.4Very low36.9Very low106 Ų106134 Ų13465%0.6579%0.789SS**  -175.4143.373.1-53.10000105.9
263Y32.9Very low36.3Very low214 Ų214134.5 Ų134.584%0.83979%0.792SS**  -179.1128.992.4-109-85.5000112.9
264S31.9Very low36Very low128 Ų128140.8 Ų140.890%0.89580%0.802SS**  trans170.3135.5147.3-79.40000108.5
265G29.6Very low35.7Very low72 Ų72141.9 Ų141.974%0.74281%0.807SS**  cis168.8128.1-7.600000111
266A31.4Very low35.1Very low109 Ų109141.7 Ų141.790%0.90181%0.806SS**  trans60.9108.5173.100000119.3
267S33.3Very low35Very low131 Ų131142 Ų14292%0.91681%0.809SS**  -177.2150.3118.1-1680000111.1
268G33.2Very low34.3Very low60 Ų60138.7 Ų138.762%0.61980%0.8SS**  trans104.476.6157.500000119.9
269H38Very low34.3Very low180 Ų180139.7 Ų139.783%0.83380%0.8SS**  trans23.6136.8143.3-52.4-80.8000124
270S32.6Very low33.4Very low122 Ų122139.9 Ų139.985%0.85380%0.799SS**  trans72161.7154.384.70000117.1
271S32.8Very low33.3Very low111 Ų111137.9 Ų137.978%0.77679%0.793SS**  cis-146.1177.6-4.4-160.80000111.2
272Q39.4Very low32.7Very low157 Ų157140.9 Ų140.973%0.73480%0.797SS**  trans-76152.6175.9-57.2175.33.700112.5
273H31Very low32.9Very low173 Ų173140.1 Ų140.180%0.80179%0.794SS**  174.1150110.7-93-63.4000114.1
274R35.1Very low32.5Very low231 Ų231141.6 Ų141.687%0.87280%0.799SS**  trans-75.5149.6158.2-69.5-179.4172.8-160.60.1110
275R31.1Very low32.4Very low243 Ų243142.8 Ų142.892%0.91779%0.794SS**  -172.8143.8127.9-107.2160.8-175.2160.31.3113.5
276T35.3Very low33Very low125 Ų125144.9 Ų144.977%0.76779%0.794SS**  trans-82.7161.8152.542.60000109.9
277P34.6Very low32.7Very low130 Ų130146.3 Ų146.384%0.84479%0.787SS**  trans-132.1167.5140.337.5-27.1000113.4
278S26.1Very low33.3Very low99 Ų99144.2 Ų144.269%0.69277%0.77SS**  trans-157.5177.3176.454.20000109.7
279L36Very low33Very low159 Ų159149.2 Ų149.283%0.83278%0.777SS**  trans73.5158.3-179.7-42.3172.4000113
280T28.5Very low32.5Very low126 Ų126146.2 Ų146.277%0.77378%0.775SS**  cis-152.1-174.610.2-240000107
281T28.5Very low32.4Very low115 Ų115148.7 Ų148.771%0.70677%0.773SS**  cis-158.6128.613.4-680000110.3
282E29.2Very low32.8Very low167 Ų167149.2 Ų149.278%0.7877%0.774SS**  32.2165115.5-86.4-71.389.600123.2
283P40.3Very low32.3Very low91 Ų91149.6 Ų149.659%0.59178%0.775SS**  -136.5-161-118.248-30.5000115.6
284R25Very low32.3Very low245 Ų245146.8 Ų146.893%0.92577%0.77SS**  trans-167.5164.1146-106.8159.3-165.7-1693.5115.7
285L29.1Very low32Very low153 Ų153142 Ų14280%0.80176%0.762SS**  trans-129.1168.4177.7-99.5164.3000108.6
286P42.2Very low32.1Very low115 Ų115138.4 Ų138.475%0.74776%0.76SS**  cis-127.2-178.643.220.76.2000114.1
287D25.4Very low31.9Very low139 Ų139137.9 Ų137.974%0.74376%0.761SS**  cis80.8149.527.9-15653.5000115.4
288P46.2Very low31.7Very low87 Ų87136.5 Ų136.557%0.56576%0.761SS**  cis-126.8174.2-20.422.30.7000115.2
289H26.9Very low32.1Very low166 Ų166141.5 Ų141.577%0.76977%0.77SS**  163145.9121.2-101.3-84.5000119.4
290C27.6Very low31.6Very low117 Ų117141.9 Ų141.979%0.79177%0.772SS**  trans73.2116.5148.6-71.60000124.6
291Q29.7Very low31.7Very low173 Ų173144.5 Ų144.581%0.80877%0.773SS**  trans-80.1154.6153.6-75.9-80.6-29.600111.3
292P41.8Very low31.7Very low122 Ų122143.1 Ų143.179%0.79277%0.768SS**  -152.5-17492.333.1-10.9000115.3
293H28.4Very low31.5Very low166 Ų166143.4 Ų143.477%0.76977%0.769SS**  cis-178.6141.6-37.4-178.6-111.5000111.5
294V31Very low31Very low113 Ų113147.3 Ų147.369%0.68578%0.779SS**  trans82154.8159.6136.10000123.5
295D28.9Very low31.2Very low132 Ų132147 Ų14771%0.70678%0.779SS**  trans-91.2168.2-169.1-37.4-104.8000116.6
296L34Very low31.1Very low166 Ų166142.5 Ų142.587%0.86977%0.769SS**  159.5128.6118.2-88.9165.4000116.2
297S30.8Very low30.4Very low114 Ų114143.4 Ų143.480%0.79778%0.776SS**  trans53.7139.4130.2-157.30000124.4
298A31.1Very low30.5Very low101 Ų101144.7 Ų144.784%0.83578%0.783SS**  trans139.3158132.800000116.1
299K32.9Very low30.1Very low204 Ų204147.3 Ų147.389%0.88779%0.792SS**  trans-108.3156.8-170.1-67.3178172.6-179.20114.6
300L26.7Very low30.9Very low167 Ų167145.3 Ų145.387%0.87479%0.793SS**  trans-153133.6143.1-136.261.8000107.2
301K30.8Very low31.3Very low182 Ų182148.6 Ų148.679%0.79180%0.797SS**  59.8137.158.2-96.4-150.3164.8-1640114.3
302S27.5Very low31.3Very low85 Ų85144.2 Ų144.259%0.59480%0.799SS**  cis177.2134.5-21.242.60000111.3
303Q25.5Very low31Very low173 Ų173147.1 Ų147.181%0.80880%0.802SS**  trans-178.1137.7157.1-107.1168.3-21.100107.6
304E29.7Very low31.1Very low174 Ų174144 Ų14481%0.81380%0.804SS**  cis82.5107.413.8-162.8173.4-155.700117.2
305W28.9Very low31.2Very low239 Ų239149.6 Ų149.691%0.90581%0.813SS**  trans-157.7149138.4-89.8105.5000108.7
306G27.3Very low31.1Very low58 Ų58154.5 Ų154.560%0.59882%0.822SS**  trans-153.6176.1174.700000111.4
307C27.5Very low31Very low133 Ų133150.7 Ų150.790%0.89981%0.814SS**  trans-146149.7169.3-78.60000109.9
308D28.4Very low30.9Very low167 Ų167154.7 Ų154.789%0.89382%0.821SS**  trans-100.7171.7-157.3-59.4-80.4000116.3
309L36.1Very low31Very low142 Ų142154.4 Ų154.474%0.74382%0.818SS**  trans-75.4176.8168.4-151.773.6000111.2E311L309-E311 HydrophobicContact CD2-CG 3.95Å
310P44.5Very low31.4Very low123 Ų123150.2 Ų150.280%0.79981%0.811SS**  -142164.410738-25.7000115.5
311E35.4Very low31.5Very low186 Ų186146.9 Ų146.987%0.86980%0.802SS**  trans-83.5170.1-177.6-58.5168.1109.800113.7L309L309-E311 HydrophobicContact CD2-CG 3.95Å
312G30.2Very low31.5Very low82 Ų82146.5 Ų146.585%0.84580%0.801SS**  trans-168.389.1171.100000112.8
313E34.7Very low31.7Very low183 Ų183149 Ų14986%0.85580%0.804SS**  trans-92.9132.8-175-173.3-173.7-175.900113.1
314A32Very low32.1Very low100 Ų100148.2 Ų148.283%0.82680%0.799SS**  trans-154.9145.2163.200000112.8
315R32.1Very low32.3Very low230 Ų230143.6 Ų143.687%0.86880%0.799SS**  trans-101.9152.8174-65.1172.6170.8178-5.5111.2
316R27.4Very low32.4Very low235 Ų235136.5 Ų136.589%0.88778%0.784SS**  139.9107.3124.5-179.5176-85.9-162.3-5.5115.7
317A31.1Very low32.8Very low86 Ų86144 Ų14471%0.71180%0.796SS**  trans61.8165.9133.300000123.5
318E29.3Very low33.4Very low199 Ų199144.7 Ų144.793%0.9379%0.79SS**  trans74.2141.9163.8-67.7-178.3139.500120.2
319A32.8Very low33.9Very low94 Ų94142.4 Ų142.478%0.77779%0.785SS**  trans-128.4144172.800000108.7
320P41.9Very low33.7Very low116 Ų116142.9 Ų142.975%0.75379%0.787SS**  -129.8138.8126.55.616.7000110.1
321S28.9Very low33.1Very low98 Ų98142.8 Ų142.869%0.68579%0.789SS**  86.6140.259.884.90000114.5
322F31Very low32.9Very low174 Ų174144.4 Ų144.476%0.76379%0.789SS**  trans71.6143176-88.1-121000116.8
323E32.1Very low33.3Very low138 Ų138145.9 Ų145.965%0.64578%0.783SS**  cis-163.6169.4-22.6-134-175-160.600110.7
324E32Very low33.1Very low155 Ų155145.2 Ų145.272%0.72478%0.781SS**  trans50.4121155.9-116.257.8-178.100123.3
325G35.1Very low33.1Very low77 Ų77146.4 Ų146.479%0.79478%0.78SS**  trans-179.857.7176.800000116
326C31.2Very low33Very low90 Ų90146.1 Ų146.161%0.60878%0.779SS**  trans-60.7154.8178.8-56.70000112.9
327Y35.7Very low33.5Very low217 Ų217140.8 Ų140.885%0.85178%0.775SS**  cis-149.1162.938.4-91.2-90000115.8
328L38.9Very low33.5Very low147 Ų147143.8 Ų143.877%0.7778%0.779SS**  trans-40.9144.4177.1-66.7151.6000118.4
329P38.6Very low33.8Very low119 Ų119140.2 Ų140.277%0.77377%0.772SS**PPolyproline II helixtrans-82.2148.115934.7-32.8000112.3
330L32.2Very low33.9Very low152 Ų152144.1 Ų144.180%0.79678%0.779SS**PPolyproline II helixtrans-89.6126.6174-87.775.6000111.9
331S32Very low33.3Very low120 Ų120147.3 Ų147.384%0.83979%0.786SS**PPolyproline II helixtrans-84.8125.6165-58.10000110.9
332Y31.1Very low33.4Very low220 Ų220146.2 Ų146.286%0.86379%0.791SS**PPolyproline II helixtrans-91.1136.4169-102.8-94.4000111
333P38.8Very low33.4Very low113 Ų113148 Ų14873%0.73479%0.793SS**PPolyproline II helixtrans-90.8161.2-170.635.3-36.8000114.8
334Q31.2Very low33.5Very low170 Ų170147.6 Ų147.679%0.79479%0.794SS**PPolyproline II helixtrans-65153.1167.2-80.2-169.4-11.200112.8
335P32.4Very low34.1Very low125 Ų125146.1 Ų146.181%0.81280%0.798SS**PPolyproline II helixtrans-82.2128.4166.333-32000112.3
336R30.5Very low34Very low224 Ų224147.1 Ų147.185%0.84579%0.793SS**  trans-131.6150157.1-92.1-171.8173.1-177.1-1.3109.7
337P37.5Very low34.6Very low123 Ų123149.1 Ų149.180%0.79981%0.805SS**  trans-80.4140.4-173.131.7-34.9000112.7
338N29.7Very low34.4Very low149 Ų149146.5 Ų146.580%0.79781%0.805SS**  trans-106.1132.3172.1-81.5-20.8000111.2
339P36.6Very low34.8Very low123 Ų123144.9 Ų144.980%0.79980%0.803SS**  trans-77148.4157.933.6-32.1000110.1
340L34.3Very low34.3Very low176 Ų176144 Ų14492%0.92180%0.8SS**  trans-128.1134.5174-77.4174.3000111.1
341M30.5Very low34.2Very low183 Ų183144.5 Ų144.590%0.90180%0.802SS**  trans-132.7112.3171.5-168.7179.774.500108.9
342G29.6Very low34.1Very low76 Ų76147 Ų14778%0.78480%0.8SS**  trans-98.6156.4174.200000111.7
343R31Very low34.9Very low211 Ų211140.9 Ų140.980%0.79679%0.788SS**  trans-140.8163-166.8-152.4-168-175-112.53.4112.6
344L34.5Very low34.5Very low130 Ų130142.5 Ų142.568%0.68179%0.79SS**  trans77.8158.9163.7-68154.8000116.7
345P44.2Very low34.6Very low123 Ų123140.5 Ų140.580%0.79979%0.794SS**  cis-118.3178.4-0.138.5-24.6000115.3
346S32.6Very low34.3Very low99 Ų99137.6 Ų137.669%0.69279%0.786SS**  trans-132.3153.2176.355.90000111.4
347P44.5Very low34.4Very low131 Ų131133.7 Ų133.785%0.85179%0.787SS**  trans-82.7162.7178.133.2-34.5000114.5
348L32.6Very low34.1Very low163 Ų163134.1 Ų134.185%0.85378%0.783SS**  trans-99.1-175.4-179.2-84.3169.5000110.5
349P47.1Very low34.4Very low112 Ų112134 Ų13473%0.72778%0.782SS**  cis-150.8178.321.745.5-25.2000120.7
350S27.7Very low34Very low102 Ų102133.5 Ų133.571%0.71378%0.781SS**  trans70.4138.4151.1-135.40000117.9
351L30.8Very low33.7Very low162 Ų162130.4 Ų130.485%0.84877%0.773SS**  cis-136.9167.229.4-111.593.2000114.2
352E29.9Very low33.6Very low171 Ų171130.2 Ų130.280%0.79977%0.769SS**  trans-113.8-178163.6-127.1-161.4-169.500108.2
353P47.7Very low34.9Very low92 Ų92131.5 Ų131.560%0.59776%0.764SS**  cis-142.3178.4-5.840.1-20.4000118.1
354N30Very low35.9Very low147 Ų147126.5 Ų126.579%0.78676%0.759SS**  trans79.2155.9139.9-93.3-48.5000124
355C32Very low36Very low128 Ų128125.7 Ų125.787%0.86576%0.764SS**  trans68.6142.5173.7-57.50000117.3
356G27.8Very low36.3Very low64 Ų64124.9 Ų124.966%0.6676%0.759SS**  cis138.8116.2-9.500000114.3
357V32.6Very low36.2Very low142 Ų142128.8 Ų128.886%0.86177%0.766SS**  trans22.7143.5148.7-73.60000121.4
358D30.2Very low35.6Very low133 Ų133130.5 Ų130.571%0.71176%0.763SS**  cis-176.5176.3-9.2-167.85.5000108.8
359L35.2Very low35.5Very low147 Ų147132.2 Ų132.277%0.7776%0.759SS**  trans70.6145.8164.9-50.8167.7000116.2
360S28.7Very low34.7Very low111 Ų111133.6 Ų133.678%0.77676%0.759SS**  cis-155.2177.68.7-25.90000108.9
361C29.2Very low35.1Very low112 Ų112135.6 Ų135.676%0.75776%0.757SS**  cis-165.4170.9-10.6-135.50000111.2
362E28.3Very low35.3Very low178 Ų178133 Ų13383%0.83275%0.75SS**  trans69.5155.3150.6-83.9-153.687.100122.3
363P57.2Low35.2Very low104 Ų104132.3 Ų132.368%0.67575%0.746SS**  -137.5-148.9-127.145.1-23.2000112.7
364P50.6Low35.3Very low106 Ų106133.4 Ų133.469%0.68875%0.753SS**  cis-139.5172.7-7.640-20.8000119.2
365S36.9Very low35.2Very low112 Ų112131.6 Ų131.678%0.78375%0.752SS**  trans74.3155.5149.1-78.90000121.1
366P50.1Low35.2Very low106 Ų106131.6 Ų131.669%0.68875%0.748SS**  cis-136.2155.5-23.236-18.3000116.4
367Q31.8Very low35.5Very low181 Ų181138.8 Ų138.885%0.84676%0.757SS**  trans32.7145.4136.1-53.9-174.5-0.600120.8
368H31.6Very low35.3Very low168 Ų168141 Ų14178%0.77876%0.758SS**  cis165.3-178.8-12.5-110.5-61.7000105.5
369Y30.3Very low35.7Very low199 Ų199140.3 Ų140.378%0.7876%0.758SS**  trans73.2131.2-178-67.2-97.9000114.8
370I30.6Very low35.7Very low141 Ų141141 Ų14172%0.72376%0.757SS**  cis104.9137.930.6-71.9169.2000112.5
371H35.6Very low36.1Very low144 Ų144142.4 Ų142.467%0.66776%0.756SS**  trans-59.5143.9-177.1178.322.1000114.8
372P34.5Very low36.9Very low108 Ų108145.6 Ų145.670%0.70176%0.764SS**  trans-121.9149.9151.136.9-27.9000113.6
373Q28.2Very low37.6Very low155 Ų155143.7 Ų143.772%0.72477%0.765SS**  trans-88.1-178.4161.2-85.6-73.322.200109.4
374P51.1Low36.8Very low115 Ų115143.6 Ų143.675%0.74777%0.767SS**  trans-97.9164.5-146.539.9-36.9000114.9
375S27.8Very low36.5Very low110 Ų110143.4 Ų143.477%0.76977%0.774SS**  trans-152.6128.3164530000115.1
376V30.9Very low36.9Very low128 Ų128146.1 Ų146.178%0.77677%0.774SS**  trans53.2110.7136.1-1730000120.6
377Y34.4Very low36.4Very low214 Ų214150.2 Ų150.284%0.83978%0.777SS**  trans16.1130.9143.2-64.4-88.9000121.8
378Q28.3Very low37.2Very low190 Ų190148.5 Ų148.589%0.88877%0.772SS**  trans-139147.9130.2-162.3164.37.700111.1
379V37.8Very low38.1Very low117 Ų117144.8 Ų144.871%0.70976%0.763SS**  trans-100.7135.3-169-179.20000111.3
380H35.8Very low38.5Very low163 Ų163139.1 Ų139.176%0.75577%0.765SS**  trans-155137.3153.2-103.7-67.7000114.2
381N37.9Very low39Very low140 Ų140141.2 Ų141.275%0.74977%0.772SS**  trans60.375.9151.8-54.2-5.1000118.7
382L45.4Very low39.2Very low178 Ų178138.4 Ų138.493%0.93277%0.773SS**  trans-74.3137.2156.3-69.2171.2000110.8
383V43.8Very low39.1Very low139 Ų139139.6 Ų139.684%0.84278%0.783SS**  trans-79133.1173.3172.70000110.3A385V383-A385 PolarHBondContact O-N 2.69Å
384S38.6Very low39.6Very low102 Ų102140.3 Ų140.371%0.71379%0.786SS**  trans-73.1103178.955.80000112.3Q386S384-Q386 PolarHBondContact O-N 3.04Å
385A45.4Very low38.8Very low101 Ų101139.3 Ų139.384%0.83579%0.787SS**  trans-72.2112.716700000110.1V383 Y387V383-A385 PolarHBondContact O-N 2.69Å; A385-Y387 PolarHBondContact O-N 2.84Å
386Q45.7Very low39.6Very low169 Ų169140.2 Ų140.279%0.7979%0.791SS**  trans-70.5119.2-177.1-159.483.131.200111S384 I388S384-Q386 PolarHBondContact O-N 3.04Å; Q386-I388 PolarHBondContact O-N 3.17Å
387Y38.7Very low39.9Very low192 Ų192140.1 Ų140.175%0.75379%0.79SS**  trans-66.2124.6175.2175.9-100.3000111.4A385 P389A385-Y387 PolarHBondContact O-N 2.84Å; Y387-P389 HydrophobicContact CD1-CG 4.09Å; Y387-P389 HydrophobicContact CE1-CB 4.16Å; Y387-P389 HydrophobicContact CE1-CG 3.87Å
388I49.3Very low39.9Very low146 Ų146141.4 Ų141.475%0.74979%0.793SS**  trans-102.9113.7174.3-59177.4000108.6Q386 G390Q386-I388 PolarHBondContact O-N 3.17Å; I388-G390 PolarHBondContact O-N 3.14Å
389P50.3Low40.3Very low90 Ų90137 Ų13758%0.58478%0.784SS**PPolyproline II helixtrans-68.9123.1175.7-16.329.8000111.3Y387 Q391Y387-P389 HydrophobicContact CD1-CG 4.09Å; Y387-P389 HydrophobicContact CE1-CB 4.16Å; Y387-P389 HydrophobicContact CE1-CG 3.87Å; P389-Q391 PolarHBondContact O-N 3.03Å
390G37.6Very low40.3Very low80 Ų80137.4 Ų137.483%0.82579%0.788SS**PPolyproline II helixtrans-70118.4174.400000111.8I388I388-G390 PolarHBondContact O-N 3.14Å
391Q40.9Very low40.2Very low185 Ų185140.5 Ų140.586%0.86479%0.793SS**PPolyproline II helixtrans-79.1146.8172.7-72.6-164.9-5.300112.1P389 C393P389-Q391 PolarHBondContact O-N 3.03Å; Q391-C393 PolarHBondContact O-N 2.73Å
392A40.4Very low40.2Very low84 Ų84142.5 Ų142.569%0.69480%0.798SS**  trans-75.4113.2179.500000112.1H394A392-H394 PolarHBondContact O-N 3.46Å; A392-H394 VanDerWaalsContact O-N 3.08Å
393C33.8Very low39.5Very low133 Ų133143.9 Ų143.990%0.89979%0.792SS**  trans-74.794.1176.2-68.60000112Q391Q391-C393 PolarHBondContact O-N 2.73Å
394H38.5Very low39Very low170 Ų170146.6 Ų146.679%0.78779%0.793SS**PPolyproline II helixtrans-68.9133.4167.9-73.4-89.3000111.4A392 P396A392-H394 PolarHBondContact O-N 3.46Å; A392-H394 VanDerWaalsContact O-N 3.08Å; H394-P396 WeakPolarHBondContact O-CD 3.26Å
395A34.2Very low39Very low94 Ų94147.7 Ų147.778%0.77780%0.798SS**PPolyproline II helixtrans-76.4122.2-178.700000112.6
396P43.8Very low38.4Very low130 Ų130150.9 Ų150.984%0.84480%0.795SS**PPolyproline II helixtrans-76.7143.1176.4-1632.2000113H394H394-P396 WeakPolarHBondContact O-CD 3.26Å
397V36.8Very low37.9Very low126 Ų126150.6 Ų150.676%0.76479%0.794SS**  trans-106.7131.4-177.8172.10000111.9
398R34.8Very low37.6Very low241 Ų241147.2 Ų147.291%0.90980%0.798SS**  trans73.4148.5166.1-77.2173.4177.11700.2119.5
399S36.2Very low37.2Very low98 Ų98149.5 Ų149.569%0.68580%0.803SS**  trans-92.1155.4172159.50000111.1
400P37.4Very low36.4Very low124 Ų124151.9 Ų151.981%0.80582%0.815SS**  -110.6158.3126.9-12.130.3000113.1
401R35.5Very low36.2Very low228 Ų228153.9 Ų153.986%0.8681%0.807SS**  trans-87.3154.1165.5-47.4175.6-169.4170.92.7108.8
402H36.2Very low35.9Very low182 Ų182155.3 Ų155.384%0.84380%0.804SS**  trans-161.1171.3130.4-125.8-99.8000114.8
403Y31.8Very low35.5Very low207 Ų207155.7 Ų155.781%0.81281%0.808SS**PPolyproline II helixtrans-55.4156.2-175.4-94.8-117.9000116.3
404K32.9Very low35.4Very low196 Ų196153.7 Ų153.785%0.85280%0.801SS**PPolyproline II helixtrans-83.5135.9152.6-73.7-160.6175.4-167.70110.7
405P39.3Very low35.3Very low126 Ų126150.7 Ų150.782%0.81881%0.805SS**PPolyproline II helixtrans-81.3167.9161.135.1-33.5000111.3
406E32.6Very low35.1Very low168 Ų168151.5 Ų151.579%0.78581%0.806SS**  trans-122.7173.5174.9-151.4-146.3-132.500110.7
407Q35.2Very low35.6Very low162 Ų162150.5 Ų150.576%0.75780%0.799SS**  trans78.4123.9171.6-51.5-172.910.200119.4
408S33Very low35.5Very low121 Ų121151.4 Ų151.485%0.84680%0.8SS**  -154.2165.4109.958.50000109.8
409K40.1Very low35.6Very low194 Ų194148 Ų14884%0.84379%0.794SS**  trans-130.9145.4-170-65.4179.5-179.41770113.5
410V33.3Very low35.6Very low140 Ų140147.3 Ų147.385%0.84879%0.789SS**  trans-151.3132.4171.7175.40000106.1
411N33Very low35.4Very low122 Ų122148.4 Ų148.465%0.65279%0.788SS**  cis-148.7-156.8-4.6-149.5-46.7000109.8
412R35.2Very low35.4Very low215 Ų215142.1 Ų142.181%0.81178%0.779SS**  trans-32.6153153.2-96.3159.3-84.6-177.8-14.6115.6
413A31.9Very low35.3Very low93 Ų93142.3 Ų142.377%0.76978%0.777SS**  cis-151.4-1653.500000109
414A32.3Very low35.5Very low91 Ų91137.4 Ų137.475%0.75277%0.773SS**  cis-158.4-168.37.700000111.4
415A35.5Very low35.6Very low106 Ų106137.2 Ų137.288%0.87677%0.773SS**  trans71.7140.7163.700000119.2
416S30.8Very low35.8Very low112 Ų112135.7 Ų135.778%0.78377%0.771SS**  trans-131.2176.4-172.5-168.80000107.6
417P53.9Low36.9Very low109 Ų109133.7 Ų133.771%0.70877%0.773SS**  -121.6-178-50.336.2-22.8000111.4
418D34.3Very low37.2Very low145 Ų145135.9 Ų135.978%0.77578%0.779SS**  -161.8175.3110.2-139.1-19.6000114
419Q37.6Very low37.7Very low169 Ų169138.3 Ų138.379%0.7978%0.775SS**  trans-98.7169.3-172.6-73.4178.283.500111.8
420S35.7Very low37.4Very low84 Ų84135.3 Ų135.359%0.58777%0.768SS**  cis-166.6172.8-17.456.70000109.3
421N33.1Very low37.4Very low147 Ų147137 Ų13779%0.78677%0.766SS**  trans64.9156.6148.6-80.6-49.5000119.6
422S35Very low37.7Very low95 Ų95136.7 Ų136.766%0.66476%0.764SS**  cis-156.7151.9-12.150.80000114
423K35.4Very low37.8Very low186 Ų186132.8 Ų132.881%0.80976%0.76SS**  trans26.7112.4141.8-65.4174.7178.4170.40121
424S34.5Very low38.5Very low104 Ų104137.9 Ų137.973%0.72776%0.759SS**  92.7162.3111.3800000122.9
425K36.8Very low38.9Very low192 Ų192143 Ų14384%0.83577%0.768SS**  trans89.791.2160-68177.9-177.71780120.7
426A42Very low39.4Very low95 Ų95147 Ų14779%0.78577%0.765SS**  66.8143.1112.800000121.7
427P57Low39.7Very low126 Ų126147.5 Ų147.582%0.81877%0.769SS**  trans-94.9159.8-172.238.4-37.5000115.7
428K40.4Very low39.4Very low207 Ų207151.9 Ų151.990%0.978%0.777SS**  trans-152.3158.6165.4-74.6-177.9-176.6172.80108.4
429K43Very low39.9Very low172 Ų172155 Ų15575%0.74878%0.783SS**  cis-174.8168.7-26.9-166.6-166159.8-168.80106
430N33.6Very low39.9Very low131 Ų131152.2 Ų152.270%0.70179%0.789SS**  trans83.3147.8164.4-40.6-48.2000114.6
431H35.2Very low40Very low177 Ų177154.7 Ų154.782%0.81980%0.796SS**  cis-142.1179.3-3-164.135.6000112.3
432N38.7Very low40.2Very low114 Ų114155.1 Ų155.161%0.6180%0.798SS**  trans-77.8-176.8175.9-123.416.8000110.6
433D36.6Very low40.6Very low134 Ų134158.4 Ų158.472%0.71780%0.8SS**  cis-149.1-173.621-138.8-53.9000114.3
434R46.8Very low40.8Very low200 Ų200154.8 Ų154.876%0.75579%0.794SS**  trans-138.8120.2-157.9171.7-155-167-166.79.9111.6
435Q41.5Very low40.7Very low198 Ų198157.8 Ų157.893%0.92580%0.802SS**  trans-133.4153.2162.2-74.1-154.2-5.200114
436K44.7Very low40.8Very low190 Ų190158.6 Ų158.683%0.82680%0.8SS**  trans-119.1141.1174.3-70.1177.8174.1179.60108.9
437S38.6Very low40.6Very low123 Ų123160.9 Ų160.986%0.8680%0.804SS**  trans-143.7173.6159.565.70000110.8
438K46Very low39.5Very low201 Ų201162.3 Ų162.387%0.87480%0.799SS**  trans-121.7155.5-166.9-62.6170.6-180170.70111.2
439K45.2Very low39.7Very low211 Ų211158.2 Ų158.292%0.91780%0.797SS**  trans30.2115.2153.2-85.1-176.5167.8-178.30117.9
440A37.5Very low39.5Very low109 Ų109159 Ų15990%0.90180%0.803SS**  trans-156.3143.313000000113.1
441N39.1Very low39.5Very low137 Ų137160.6 Ų160.673%0.73381%0.812SS**  trans-62.9145.7170.5170.618.2000112.2
442N37.3Very low39.7Very low155 Ų155156.8 Ų156.883%0.82981%0.805SS**  trans-145.5149.3144.6-141-13.9000113
443K43.9Very low39.7Very low164 Ų164158.6 Ų158.671%0.71381%0.814SS**  trans-80.4174.7169.2-60.8166.5-178.7168.30107.4
444T37.6Very low40.2Very low111 Ų111158 Ų15868%0.68182%0.817SS**  cis-164150.528.1-42.70000108.9
445N33.8Very low39.4Very low167 Ų167152.2 Ų152.289%0.89382%0.82SS**  trans-163.8128.6131.9-104.9-32.4000111.7
446R38.2Very low38.9Very low209 Ų209151.2 Ų151.279%0.78982%0.815SS**  trans-122.9131.3172.4-108.4-176168.6139.3-6.6106.6
447T37.6Very low38.4Very low143 Ų143152.8 Ų152.888%0.87782%0.816SS**  trans-141.1108.7156.229.10000108
448H33.6Very low38Very low155 Ų155153.1 Ų153.172%0.71881%0.812SS**  trans-88.2154.4156.9-68.9-110.9000107.2
449S44.4Very low37.5Very low121 Ų121150.1 Ų150.185%0.84681%0.81SS**  trans-117.4118.9164.556.20000107.9
450E39.8Very low37Very low190 Ų190144.1 Ų144.189%0.88880%0.8SS**  trans-81.1158.1-179.1-65.1163.910300111.4
451N34.7Very low36.7Very low163 Ų163145.2 Ų145.287%0.87279%0.791SS**  trans-146.3140.4145.3-147.9-0.7000111
452S38Very low36.2Very low97 Ų97147.5 Ų147.568%0.67879%0.789SS**  trans-58.2167.1-175-66.50000115.2
453L39Very low36.2Very low152 Ų152148 Ų14880%0.79678%0.78SS**  cis-177.6-173.8-11.8-100.4173.1000105.4
454P46.2Very low35.5Very low122 Ų122150.1 Ų150.179%0.79278%0.784SS**  cis-120.2177.8-3637.5-24.2000111.7
455G30.6Very low35.2Very low78 Ų78147.6 Ų147.680%0.80478%0.781SS**  trans166.781.4164.100000114.5
456Q31.2Very low35Very low178 Ų178146.2 Ų146.283%0.83278%0.778SS**  trans-155.8139.7177.3-160.7179.374.400116.5
457R34.5Very low34.9Very low223 Ų223142.1 Ų142.184%0.84278%0.777SS**  trans120.2137.2161.8-68-173.3-83.4-146.72.5110.1
458V31Very low34.8Very low129 Ų129141.8 Ų141.878%0.78277%0.765SS**  cis-148143.343.8163.90000112.9
459V34.3Very low34.9Very low138 Ų138144.2 Ų144.284%0.83677%0.768SS**  trans16.4147.8142.6-1760000120.7
460A33.9Very low34.3Very low85 Ų85147.9 Ų147.970%0.70276%0.764SS**  cis-178.5169.3-25.400000112
461D31.4Very low33.9Very low132 Ų132146.1 Ų146.171%0.70676%0.76SS**  trans71.8157.1155.3-157.126.8000121.6
462R30.3Very low33.6Very low185 Ų185141.7 Ų141.770%0.69875%0.753SS**  trans72.491.2159.5-84158.7-164.4-120.1-0123.3
463R35.6Very low33.3Very low167 Ų167148.8 Ų148.863%0.6376%0.764SS**  44.2147.3115-58-167-62.4-158.34.4122.5
464Y29.2Very low32.9Very low207 Ų207148.2 Ų148.281%0.81277%0.767SS**  trans84.4165.5162.3-55.9-68.8000117.8
465G31.5Very low32.4Very low59 Ų59149.9 Ų149.961%0.60877%0.77SS**  trans-176.3-157.7-177.500000111.7
466T30.6Very low33.5Very low137 Ų137152.1 Ų152.184%0.8477%0.77SS**  trans84.5156.5-179.175.90000118.1
467T34.8Very low33.6Very low124 Ų124147.3 Ų147.376%0.76176%0.761SS**  trans67.899.9167.759.70000122.1
468E35.9Very low33.8Very low135 Ų135145.1 Ų145.163%0.63176%0.76SS**  57.5147.7106-143.1-137.5155.600123.1
469R35.6Very low33.7Very low206 Ų206144.5 Ų144.578%0.77775%0.752SS**  trans86.6153161.5-54.1-173.4-156.5155.811.5118.9
470R31.6Very low33.7Very low198 Ų198145.6 Ų145.675%0.74775%0.749SS**  cis-164.8169.7-19.7-101.4-91.8-179.2161-0.9108
471L32.4Very low33.5Very low154 Ų154146 Ų14681%0.80675%0.746SS**  trans12142.9157.5-93.257.1000120.8
472G28.6Very low33.6Very low70 Ų70148 Ų14872%0.72275%0.751SS**  cis147.3164.8-4.900000114.7
473R31.4Very low33.5Very low245 Ų245145.1 Ų145.193%0.92575%0.754SS**  trans61.3113.6157.9-167.6-171.9-140.4-125.25.4120.8
474T31.3Very low33.3Very low140 Ų140143.2 Ų143.286%0.85976%0.761SS**  trans-155.4147.8131.117.50000111.7
475N33.9Very low33.4Very low157 Ų157137.7 Ų137.784%0.8476%0.758SS**  trans-144.8174.7180-98.110.7000106.5
476P53.8Low33.9Very low125 Ų125140 Ų14081%0.81276%0.762SS**  cis-129.8-146.925.931.3-4.1000111.4
477A34.9Very low33.9Very low78 Ų78141 Ų14165%0.64576%0.758SS**  cis-163.1174.510.600000114
478Q37.3Very low33.6Very low176 Ų176141.4 Ų141.482%0.82276%0.759SS**  trans68.2139.4159.1-72-174.1-12.900118.6
479N29.8Very low33.4Very low116 Ų116139.7 Ų139.762%0.6277%0.768SS**  cis-152.9172.4-9.2-136.5-20.3000113.2
480Q34.2Very low33.1Very low162 Ų162134.5 Ų134.576%0.75776%0.764SS**  trans-22.5157.8161.4-76.2165.190.200119
481S29.4Very low33.1Very low92 Ų92135 Ų13564%0.64377%0.772SS**  cis-172.3160.912.137.70000115.1
482Q32.5Very low33Very low174 Ų174131.4 Ų131.481%0.81377%0.771SS**  trans70.7124.7146.8-76.9173.430.400120.2
483V28.4Very low33.3Very low125 Ų125137.5 Ų137.576%0.75878%0.78SS**  68.5117.889.9179.20000112.1
484T31.5Very low33.4Very low127 Ų127131.5 Ų131.578%0.77978%0.776SS**  -168.2163.473.1-390000112
485A32.8Very low33.4Very low92 Ų92127.9 Ų127.976%0.7677%0.766SS**  trans-135.8139.615600000109.1
486P42.1Very low33.4Very low107 Ų107127.6 Ų127.670%0.69577%0.765SS**  -156.6-167.1111.536.4-14.5000115.2
487Q30.4Very low32.7Very low159 Ų159131.9 Ų131.974%0.74377%0.765SS**  trans70.5117.7172.1-46.9-60.7-7.400115.5
488V29Very low33Very low131 Ų131139.4 Ų139.479%0.79478%0.777SS**  cis80.398.844-177.90000113.8
489A29.8Very low32.8Very low99 Ų99141.3 Ų141.382%0.81878%0.777SS**  trans-167118.7140.300000113.8
490S29.5Very low33.1Very low98 Ų98141.3 Ų141.369%0.68578%0.784SS**  trans44.6112.6139.5-174.70000123.5
491K31.3Very low32.9Very low209 Ų209138.5 Ų138.591%0.90978%0.782SS**  trans63.5128.7136-61.8178.1-175.4179.80121.4
492G30.9Very low33.1Very low77 Ų77140.6 Ų140.679%0.79479%0.787SS**  trans177.8116.1157.600000113.7
493H34.3Very low33.3Very low198 Ų198139.6 Ų139.692%0.91779%0.786SS**  trans-68159.5164-62.2-82.3000109.3
494S33.7Very low34.1Very low119 Ų119141.7 Ų141.783%0.83279%0.787SS**  cis-151.8175.210.2590000106.8
495G32.3Very low34.2Very low64 Ų64143.9 Ų143.966%0.6679%0.794SS**  cis132.180.712.900000110.5
496N33.8Very low34.4Very low151 Ų151143.7 Ų143.781%0.80779%0.787SS**  trans-162.298.5159-115-30000113.4
497R39.1Very low34Very low216 Ų216146.6 Ų146.682%0.81579%0.791SS**  trans-135.2112.4152.7-67-173.2-168.6-1284.1107.1
498R41.3Very low34.1Very low236 Ų236145.3 Ų145.389%0.89179%0.789SS**  trans-91.5113.6165.2-75.7-171.5177.1-96.9-1108.1
499W33Very low34.6Very low216 Ų216148 Ų14882%0.81879%0.793SS**  trans-80.8158.8179.6-79.880.8000111.6
500C35.3Very low34.8Very low115 Ų115146.4 Ų146.478%0.77779%0.786SS**  trans-101.3143.6168.9-590000110.3
501S31.6Very low35Very low103 Ų103150.1 Ų150.172%0.7279%0.793SS**  trans62.3132.1152.2-160.40000120.1
502N32.7Very low35.1Very low137 Ų137146.7 Ų146.773%0.73378%0.783SS**  157.2128.2126.8-74.8-15.4000107.5
503L36.6Very low35.1Very low152 Ų152149.9 Ų149.980%0.79678%0.777SS**  80.313953.9-166.466.4000111.9
504E44.8Very low34.8Very low169 Ų169148 Ų14879%0.7977%0.774SS**  trans-73.5167.7-163.8-60.1149.7113.500114.6
505L35.2Very low34.5Very low174 Ų174147 Ų14791%0.91177%0.773SS**  trans137.8159.5160.2-76.7165.4000109.3
506S35.6Very low34.4Very low88 Ų88148.8 Ų148.862%0.61578%0.781SS**  cis173.2134.1-38.91780000107.7
507Q33.5Very low34.5Very low168 Ų168148.5 Ų148.579%0.78578%0.775SS**  trans73.8158.9149.4-178.8169.53.300120.6
508D33.9Very low34.4Very low132 Ų132144.2 Ų144.271%0.70678%0.775SS**  trans65.1157.3173-76.615.5000120.1
509E38.8Very low34Very low186 Ų186139.7 Ų139.787%0.86976%0.764SS**  -163.2157.9-51.5-178.2158.5-133.700107.9
510G34.2Very low34.1Very low66 Ų66136.9 Ų136.968%0.6876%0.757SS**  trans95.7102.4177.400000113.2
511E32.8Very low33.9Very low177 Ų177141.2 Ų141.283%0.82776%0.757SS**  64.1115.369.9-160.5167.5-13700111.5
512I33.2Very low33.8Very low137 Ų137141.5 Ų141.570%0.70376%0.76SS**  -153.613382-83.6162.3000112.2
513Q31.2Very low33.8Very low144 Ų144138.1 Ų138.167%0.67375%0.747SS**  trans28.8121.8144.7-48.616319.100118.4
514N28.6Very low33.7Very low158 Ų158141.3 Ų141.385%0.84575%0.748SS**  -166.9164.972-95.4-76.1000112.6
515A27.7Very low33.1Very low99 Ų99142.2 Ų142.282%0.81875%0.749SS**  trans-130.1143.5-176.700000113.2
516A29.1Very low32.8Very low100 Ų100138.2 Ų138.283%0.82674%0.741SS**  trans-168.7120.8144.200000112
517Q36.2Very low32.8Very low146 Ų146143.9 Ų143.968%0.68275%0.75SS**  trans-89.9158.6149.8-83.3-84.8-30.800108.2
518P36.8Very low32.7Very low126 Ų126143.4 Ų143.482%0.81875%0.747SS**  -129.9137.9127.435.3-27.7000113.6
519H33.1Very low32.4Very low140 Ų140140 Ų14065%0.64874%0.742SS**  trans-107.4-173.4171.8-59.8-78.7000110.7
520K34.5Very low32.1Very low157 Ų157139.6 Ų139.668%0.68374%0.74SS**  trans89.8150150.8-42.1-160.4-174173.20114.4
521R31Very low31.8Very low206 Ų206142.3 Ų142.378%0.77775%0.749SS**  cis-158.5170.74.5-123.4154.8-162.6157.2-4.9107.8
522S30.3Very low31.4Very low110 Ų110139.1 Ų139.177%0.76975%0.745SS**  166.2-179.479.1-161.20000111.3
523S33.2Very low31.2Very low66 Ų66137.7 Ų137.746%0.46275%0.747SS.*  -167146.5-96.362.90000115.5
524R33.2Very low31.2Very low218 Ų218139.5 Ų139.582%0.82376%0.755SS**  trans67.4160159.7-63.5174.9-80.5-164.7-1.5116.6
525K33Very low31.2Very low188 Ų188137 Ų13782%0.81775%0.75SS**  cis-124.7164.39.4-79.398.1166.8-168.30109.9
526A28.5Very low31.4Very low90 Ų90139.5 Ų139.574%0.74475%0.745SS**  64.813851.600000114.4
527R35.7Very low31.4Very low208 Ų208142.3 Ų142.379%0.78574%0.741SS**  cis-171154.342.3-146.6-168.4-58.2-154.86.4113.9
528H32.3Very low31.1Very low158 Ų158144 Ų14473%0.73175%0.748SS**  trans50.9155.7159.6-58.7-44000121.8
529G27.7Very low30.6Very low59 Ų59146.7 Ų146.761%0.60875%0.75SS**  cis150.4140.8-15.300000116.8
530H32.5Very low30.4Very low179 Ų179144.6 Ų144.683%0.82976%0.757SS**  trans68156.1164.7-42.3-79.6000117.2
531S26.6Very low30.2Very low123 Ų123145.6 Ų145.686%0.8676%0.764SS**  cis-149.5-176.82.2-154.70000113.4
532C25.5Very low30.5Very low109 Ų109140.2 Ų140.274%0.73676%0.755SS**  trans-97.2153.1-169.7-178.40000115.8
533S29.4Very low30.4Very low108 Ų108145.7 Ų145.776%0.75576%0.76SS**  trans154.7124.1139.4-67.10000109.7
534Q30.5Very low30.1Very low181 Ų181150.1 Ų150.185%0.84677%0.772SS**  82.8101.150.3-173.1-175.478.900115
535S29.4Very low30Very low106 Ų106145.9 Ų145.974%0.74177%0.766SS**  trans-173.8125.2143.656.70000115.7
536H30.6Very low29.8Very low151 Ų151143.1 Ų143.170%0.69976%0.76SS**  trans43.1113.3138.7-60.5-68.7000125.1
537H28.9Very low29.8Very low159 Ų159143.3 Ų143.374%0.73676%0.756SS**  81.4134.6116.8-67.5-36.6000125.2
538Q29.3Very low29.6Very low181 Ų181141.9 Ų141.985%0.84676%0.758SS**  trans113.5148.8136.6-88.6176.9122.200121.4
539H28.1Very low29.5Very low183 Ų183138.2 Ų138.285%0.84776%0.755SS**  trans-57142.5-172.1-72-113.5000115.6
540A28.6Very low29.7Very low96 Ų96147 Ų14779%0.79377%0.769SS**  -169.4145.311600000112.7
541Q29.9Very low29.5Very low178 Ų178142.7 Ų142.783%0.83277%0.765SS**  trans-109.9145.4147.8-77-76.33.100104.7
542P38Very low30.4Very low93 Ų93142.5 Ų142.560%0.60476%0.761SS**  -160.5-177.579.339.8-17.3000118.2
543W27.1Very low30.7Very low226 Ų226145 Ų14586%0.85677%0.766SS**  trans66.9100.3157.6-55.2125.5000121.4
544H26.8Very low30.6Very low158 Ų158145.1 Ų145.173%0.73177%0.766SS**  33.3134104.5-139.2-79.6000120.5
545L32.2Very low30.5Very low130 Ų130145.2 Ų145.268%0.68177%0.766SS**  137.1118.5124.5-162.769.2000117
546D27.6Very low30.4Very low130 Ų130144.9 Ų144.970%0.69576%0.764SS**  trans62.5154.8148.4-65.9-5.7000126.6
547S28.6Very low30.4Very low94 Ų94145.5 Ų145.566%0.65777%0.767SS**  trans79150.3152.4-66.10000119.2
548Q31.2Very low30.9Very low178 Ų178146.9 Ų146.983%0.83277%0.773SS**  cis-167.4161.9-18.6-109.1174.977.500107.3
549A30.6Very low31Very low80 Ų80142 Ų14266%0.66177%0.772SS**  cis-174.6144.4-36.800000108.7
550R32.4Very low31.3Very low243 Ų243145.2 Ų145.292%0.91778%0.779SS**  trans-155.6120.3164.5-146.775.9-173.4-171.71.8113.6
551A28.4Very low31.6Very low89 Ų89145.5 Ų145.574%0.73678%0.781SS**  trans-107.6148.9154.600000108.3
552P45.5Very low31.8Very low119 Ų119140.9 Ų140.977%0.77378%0.781SS**  -144.6173.4102.936.6-21.4000112.5
553L30.9Very low31.7Very low161 Ų161141.4 Ų141.484%0.84379%0.793SS**  cis-166.8139.1-27.6178.271.3000105.7
554C28.8Very low32.4Very low112 Ų112135.5 Ų135.576%0.75779%0.792SS**  trans-35.1144.1-173.1-44.20000119.8
555H28Very low33.3Very low182 Ų182133.9 Ų133.984%0.84380%0.796SS**  -162.3133.4116.5-135.7-99.1000116.1
556S27.7Very low33.4Very low100 Ų100132.3 Ų132.370%0.69980%0.802SS**  trans62149.5154.5-125.90000125.4
557E30.2Very low33.8Very low164 Ų164135.1 Ų135.177%0.76681%0.811SS**  trans71.580148.6-142.5164.9177.100120.8
558E38Very low34.2Very low187 Ų187136.3 Ų136.387%0.87482%0.819SS**  39.9109.3119.3-62.2172-116.300120.1
559G32.3Very low35.3Very low80 Ų80136.9 Ų136.983%0.82582%0.822SS**  trans-176.3109163.800000113.5
560Y34.6Very low35.4Very low250 Ų250138.4 Ų138.498%0.9883%0.827SS**  trans-85.4130.1-179.8-107-96.8000112.3
561A34.5Very low35.8Very low102 Ų102132.3 Ų132.384%0.84382%0.822SS**  trans-138.7120.3164.300000110.1
562G34.7Very low36.1Very low81 Ų81137.5 Ų137.584%0.83583%0.834SS**PPolyproline II helixtrans-91.6144.6-178.900000112.8
563A36.5Very low35.7Very low104 Ų104137.3 Ų137.386%0.8684%0.835SS**PPolyproline II helixtrans-83.6152.1-177.900000113.6
564A40.6Very low36.5Very low101 Ų101139.1 Ų139.184%0.83584%0.839SS**PPolyproline II helixtrans-88154.2169.500000112
565P45.7Very low37.6Very low124 Ų124140.9 Ų140.981%0.80585%0.846SS**  trans-124.9144.9160.235.9-23.4000114
566A34.2Very low38.1Very low97 Ų97142.2 Ų142.280%0.80285%0.845SS**  trans-42.2143.3-178.800000117.9
567E37Very low38.5Very low190 Ų190142.2 Ų142.289%0.88885%0.845SS**  trans-71164159.162.2-151.397.100112.3
568S36.1Very low39.3Very low118 Ų118139.4 Ų139.483%0.82584%0.841SS**  trans-143.7139.4-175.8-70.90000112.6
569E53.9Low40Very low190 Ų190136.5 Ų136.589%0.88884%0.839SS**  trans-89.4141.1-168.4-47.3171.5119.800112.5
570S33.3Very low40.1Very low112 Ų112138 Ų13878%0.78384%0.836SS**  trans-165.8119.9153.9-96.80000117
571S41.6Very low40.1Very low116 Ų116131.9 Ų131.981%0.81183%0.83SS**  57.1100.8127.7-52.50000120
572M33.7Very low40.2Very low197 Ų197132.8 Ų132.897%0.9783%0.831SS**  trans-85.8153.4155-63177.969.600111
573S36.9Very low40.5Very low115 Ų115137.3 Ų137.380%0.80483%0.834SS**  trans-129.3133.617156.30000111.7
574E49.2Very low40.3Very low200 Ų200137.9 Ų137.994%0.93583%0.832SS**  trans-90.4138.9-178.8-63.6-179.1101.500111.7
575V50.5Low40.4Very low148 Ų148138.8 Ų138.890%0.89783%0.833SS**  trans-131.3129.8168.3177.80000108.9
576Y38.3Very low40.7Very low210 Ų210138.9 Ų138.982%0.82483%0.826SS**  trans-127.1131.9-170.9-178.3-81.8000111.5
577S36.1Very low41.2Very low100 Ų100139.4 Ų139.470%0.69982%0.824SS**  trans141.8161.5160.5-71.80000111.2
578P48.5Very low42.3Very low106 Ų106137.9 Ų137.969%0.68882%0.822SS**  cis-128.3168.1-42.137.7-23.9000111.4
579P51.6Low42.6Very low125 Ų125139.4 Ų139.481%0.81282%0.816SS**  trans-81.1139.2178.432.2-34.2000113
580S33.8Very low42.5Very low111 Ų111135.5 Ų135.578%0.77681%0.81SS**  trans-149.1113.8167.8-80.60000113
581S35.8Very low42.9Very low123 Ų123133.4 Ų133.486%0.8681%0.806SS**  trans22.1114.2144.1-53.20000120.7
582S36.1Very low43.3Very low121 Ų121132 Ų13285%0.84681%0.809SS**  trans-92.8148.4153.9-57.10000111
583L40Very low43.9Very low175 Ų175129.8 Ų129.892%0.91680%0.801SS**  trans-107.4128.4163.7-70.2169.3000107.8
584S34.1Very low44.8Very low116 Ų116131.2 Ų131.281%0.81181%0.805SS**  trans-78.7150.3176.3-63.70000111.9
585S41.8Very low44.5Very low121 Ų121132.7 Ų132.785%0.84680%0.802SS**  trans-109148.4168.3-161.70000109.6
586D52Low44.4Very low126 Ų126130.3 Ų130.367%0.67479%0.789SS**  trans-148.9127.2-172.5-176.3-5.2000106.5K17K17-D586 IonicContact NZ-OD2 2.77Å; K17-D586 PolarHBondContact NZ-OD2 2.89Å
587S44.3Very low44.5Very low108 Ų108129 Ų12976%0.75579%0.791SS**  trans-165.6121.2-1711770000112.2
588D59.9Low44.6Very low157 Ų157133.1 Ų133.184%0.8480%0.799SS**  trans-158.8176.5158.2-143.3-65000110.8
589E43.8Very low44.3Very low151 Ų151134.8 Ų134.871%0.70680%0.801SS**  trans72.284172.1-155.769.5100.500118.9
590S50.7Low43.8Very low107 Ų107134.1 Ų134.175%0.74880%0.797SS**  36.991.8127.6-45.20000119.1
591G41.3Very low44.1Very low68 Ų68134.9 Ų134.970%0.70180%0.799SS**  trans-162.699167.700000113.1L593G591-L593 PolarHBondContact O-N 2.91Å
592G51.5Low43.9Very low86 Ų86140.6 Ų140.689%0.88780%0.802SS**  trans-67.799.7-17100000114.9
593L46.5Very low43.8Very low151 Ų151142.6 Ų142.679%0.79180%0.802SS**  trans-138.6125.9163-70.6176.8000109.8G591 W595G591-L593 PolarHBondContact O-N 2.91Å; L593-W595 PolarHBondContact O-N 3.13Å
594V54.1Low43.2Very low146 Ų146138.9 Ų138.989%0.88580%0.797SS**PPolyproline II helixtrans-69.9118.6173.5170.80000109.4
595W44.3Very low43Very low230 Ų230138.6 Ų138.687%0.87180%0.795SS**PPolyproline II helixtrans-74.2131.8173.8-74.194.2000110.9L593 Q597L593-W595 PolarHBondContact O-N 3.13Å; W595-Q597 PolarHBondContact O-N 3.01Å
596P48.7Very low42.5Very low99 Ų99139.4 Ų139.464%0.64380%0.795SS**PPolyproline II helixtrans-75.2127179.929.6-34000111.1Q598P596-Q598 PolarHBondContact O-N 3.36Å; P596-Q598 VanDerWaalsContact O-N 3.09Å
597Q39.2Very low41.4Very low183 Ų183139 Ų13986%0.85580%0.802SS**  trans-66.7108.7178.2-170.7157.78.100110.9W595 L599W595-Q597 PolarHBondContact O-N 3.01Å; Q597-L599 VanDerWaalsContact C-N 3.34Å; Q597-L599 PolarHBondContact O-N 3.31Å
598Q39.2Very low40.8Very low185 Ų185138.9 Ų138.986%0.86480%0.801SS**  trans-75.982.8-178.3-68.3-167.48.900111.9P596P596-Q598 PolarHBondContact O-N 3.36Å; P596-Q598 VanDerWaalsContact O-N 3.09Å
599L40.7Very low39.6Very low142 Ų142136.9 Ų136.974%0.74380%0.799SS**  trans-59.4149.7156.7-71.8169.1000110.1Q597Q597-L599 VanDerWaalsContact C-N 3.34Å; Q597-L599 PolarHBondContact O-N 3.31Å
600P42.5Very low39.1Very low110 Ų110134.6 Ų134.671%0.71480%0.8SS**  trans-54.9139.3175.7-26.134.9000111.8R602P600-R602 PolarHBondContact O-N 2.84Å
601P38.8Very low38.4Very low127 Ų127134.9 Ų134.983%0.82580%0.802SS**  trans-64.885.3-174.6-25.235.8000114.6L603P601-L603 PolarHBondContact O-N 3.23Å
602R32.2Very low37.9Very low244 Ų244136.8 Ų136.892%0.92181%0.811SS**  trans-70106.4159.7-91.5-164.6167.6-140.5-1.5108.5P600 A604P600-R602 PolarHBondContact O-N 2.84Å; R602-A604 PolarHBondContact O-N 3.38Å
603L33.7Very low36.8Very low163 Ų163138 Ų13885%0.85381%0.806SS**  trans-58.3119.4166.4-64.9173.9000108.7P601 S605P601-L603 PolarHBondContact O-N 3.23Å; L603-S605 PolarHBondContact O-N 3.36Å
604A28.8Very low36.9Very low96 Ų96136.4 Ų136.479%0.79381%0.805SS**  trans-73.4107.1176.300000109.7R602 T606R602-A604 PolarHBondContact O-N 3.38Å; A604-T606 PolarHBondContact O-N 3.02Å
605S29.7Very low35.8Very low111 Ų111138.6 Ų138.678%0.77681%0.805SS**  trans-67.8118.3168.7-61.90000109.7L603 S607L603-S605 PolarHBondContact O-N 3.36Å; S605-S607 PolarHBondContact O-N 2.75Å; S605-S607 VanDerWaalsContact O-N 3.16Å
606T29.9Very low35.3Very low137 Ų137132.1 Ų132.184%0.8480%0.8SS**  trans-70.9104.8169.550.20000109.6A604 S608A604-T606 PolarHBondContact O-N 3.02Å; T606-S608 PolarHBondContact O-N 2.97Å; T606-S608 VanDerWaalsContact O-N 3.15Å
607S30.6Very low34.6Very low118 Ų118133.8 Ų133.883%0.82581%0.809SS**  trans-70105.4-179.6-66.50000112.5S605S605-S607 PolarHBondContact O-N 2.75Å; S605-S607 VanDerWaalsContact O-N 3.16Å
608S30.9Very low34.8Very low106 Ų106130.3 Ų130.374%0.74181%0.811SS**  trans-142.4105.1162.4-78.80000111.6T606T606-S608 PolarHBondContact O-N 2.97Å; T606-S608 VanDerWaalsContact O-N 3.15Å
609S35Very low34.5Very low114 Ų114127 Ų12780%0.79781%0.809SS**SBendtrans66.5151161.356.60000120.8
610S32.5Very low34.4Very low104 Ų104124.7 Ų124.773%0.72781%0.81SS**  trans62.882.9164.1520000120.7
611S35.5Very low34Very low112 Ų112123.6 Ų123.678%0.78381%0.811SS**  51.7138.2116.363.90000123.6
612A31.6Very low34.4Very low108 Ų108124.2 Ų124.289%0.89381%0.812SS**  trans84.2154.8155.600000118.8
613S29Very low35Very low112 Ų112119.9 Ų119.978%0.78380%0.802SS**  trans-151.1179.8-162.8-167.70000108.5
614P48.3Very low35.5Very low117 Ų117117.6 Ų117.676%0.7680%0.797SS**  -117.3170.2-65.636.1-25.3000111.7
615Q31.2Very low36.8Very low193 Ų193121 Ų12190%0.90279%0.794SS**  trans-144.9135.6153.9-160.4168.11000112.1
616A33.1Very low37.8Very low93 Ų93120 Ų12077%0.76979%0.793SS**  trans-91.6137.4-176.400000112.3
617T33.8Very low39.1Very low135 Ų135122 Ų12283%0.82879%0.79SS**  trans-137.2136154.450.30000109.3
618A43Very low40.8Very low109 Ų109122.1 Ų122.190%0.90179%0.786SS**  trans-83.2131.2176.500000110.2
619S33.8Very low43Very low116 Ų116126.5 Ų126.581%0.81179%0.791SS**  trans-140.7145.9167.759.50000110.3
620A38.8Very low44.9Very low94 Ų94128 Ų12878%0.77779%0.789SS**  trans-79.8138.3-167.800000112.6T622A620-T622 PolarHBondContact O-N 3.18Å
621A34.8Very low47.4Very low87 Ų87132.8 Ų132.872%0.71980%0.797SS**  trans-65.9104.9179.400000112.3Q623A621-Q623 PolarHBondContact O-N 2.91Å
622T45.3Very low49.6Very low140 Ų140129.7 Ų129.786%0.85978%0.778SS**  trans-74.183.9174.730.20000111.6A620A620-T622 PolarHBondContact O-N 3.18Å
623Q45.7Very low52.2Low152 Ų152128 Ų12871%0.7176%0.76SS**  trans-57.4126.7174.4-69.6-67.8-6.900112A621 K625A621-Q623 PolarHBondContact O-N 2.91Å; Q623-K625 PolarHBondContact O-N 3.09Å; Q623-K625 VanDerWaalsContact O-N 3.09Å
624P44.6Very low55Low115 Ų115129.3 Ų129.375%0.74775%0.753SS**  trans-72.8103.6-178.528.6-33.8000111.1A626P624-A626 PolarHBondContact O-N 3.48Å
625K55Low57Low168 Ų168127 Ų12773%0.7374%0.743SS**  trans-69.893.4178.2-73.7179177.1173.50111.5Q623 F627Q623-K625 PolarHBondContact O-N 3.09Å; Q623-K625 VanDerWaalsContact O-N 3.09Å; K625-F627 HydrophobicContact CB-CE2 4.2Å; K625-F627 HydrophobicContact CB-CZ 4.25Å; K625-F627 WeakPolarHBondContact O-CD2 3.35Å; K625-F627 WeakPolarHBondContact O-CE2 3.41Å; K625-F627 PolarHBondContact O-N 2.9Å; K625-F627 VanDerWaalsContact O-N 3.12Å
626A51.9Low59.7Low90 Ų90121.8 Ų121.874%0.74472%0.722SS**  trans-66.3104.317300000111.3P624 V628P624-A626 PolarHBondContact O-N 3.48Å; A626-V628 PolarHBondContact O-N 2.86Å
627F57Low62.4Low178 Ų178123.1 Ų123.178%0.78171%0.71SS**  trans-79.385.6-177.8-69.7-80.2000112.7K625 K629K625-F627 HydrophobicContact CB-CE2 4.2Å; K625-F627 HydrophobicContact CB-CZ 4.25Å; K625-F627 WeakPolarHBondContact O-CD2 3.35Å; K625-F627 WeakPolarHBondContact O-CE2 3.41Å; K625-F627 PolarHBondContact O-N 2.9Å; K625-F627 VanDerWaalsContact O-N 3.12Å; F627-K629 PolarHBondContact O-N 3.45Å; F627-K629 VanDerWaalsContact O-N 3.15Å
628V65.1Low64.8Low122 Ų122122.5 Ų122.574%0.73970%0.696SS**  trans-65.6109.4174.7-176.40000110.9A626 I630A626-V628 PolarHBondContact O-N 2.86Å; V628-I630 HydrophobicContact CG1-CG1 4.08Å; V628-I630 PolarHBondContact O-N 3.33Å; V628-I630 VanDerWaalsContact O-N 3.13Å
629K77.4Confident66.9Low197 Ų197124.2 Ų124.286%0.85768%0.683SS**  trans-82.682.3177.6-75.1178.8178.1170.30111.8F627 K631F627-K629 PolarHBondContact O-N 3.45Å; F627-K629 VanDerWaalsContact O-N 3.15Å; K629-K631 PolarHBondContact O-N 3.37Å
630I75.8Confident69.2Low147 Ų147122.2 Ų122.275%0.75466%0.662SS**  trans-64.7122.1174.9-56.2177.2000110.5V628 A632V628-I630 HydrophobicContact CG1-CG1 4.08Å; V628-I630 PolarHBondContact O-N 3.33Å; V628-I630 VanDerWaalsContact O-N 3.13Å; I630-A632 PolarHBondContact O-N 2.89Å; I630-A632 VanDerWaalsContact O-N 3.14Å
631K83.8Confident71.2Confident204 Ų204121.9 Ų121.989%0.88765%0.647SS**  trans-8186.6175-73.2178.865.6-179.30111K629K629-K631 PolarHBondContact O-N 3.37Å
632A82.5Confident73.1Confident46 Ų46127.2 Ų127.238%0.3865%0.648SS.*  trans-67.2149170.500000112.5I630 L636I630-A632 PolarHBondContact O-N 2.89Å; I630-A632 VanDerWaalsContact O-N 3.14Å; A632-L636 HydrophobicContact CB-CB 4.28Å; A632-L636 HydrophobicContact CB-CD2 3.93Å; A632-L636 HydrophobicContact CB-CG 4.06Å
633S86.8Confident74.4Confident74 Ų74127.3 Ų127.352%0.51764%0.637SS.*  trans-62.1158.2172.873.90000111.9A635 L636 K637S633-A635 VanDerWaalsContact C-N 3.26Å; S633-A635 PolarHBondContact O-N 2.93Å; S633-L636 PolarHBondContact O-N 3.32Å; S633-L636 VanDerWaalsContact O-N 3.15Å; S633-L636 WeakPolarHBondContact OG-CB 3.42Å; S633-L636 PolarHBondContact OG-N 3.2Å; S633-K637 WeakPolarHBondContact O-CB 3.33Å; S633-K637 PolarHBondContact O-N 3.2Å
634H88.3Confident75.6Confident139 Ų139129.7 Ų129.764%0.64464%0.64SS**Hα-helixtrans-57.9-38.5-179.6-179.2-133.8000112.7K638H634-K638 WeakPolarHBondContact O-CB 3.46Å; H634-K638 WeakPolarHBondContact O-CG 3.31Å; H634-K638 PolarHBondContact O-N 3.03Å
635A88.9Confident76.4Confident67 Ų67130 Ų13055%0.55464%0.64SS**Hα-helixtrans-65.3-46175.400000112.3S633 K638 K639S633-A635 VanDerWaalsContact C-N 3.26Å; S633-A635 PolarHBondContact O-N 2.93Å; A635-K638 PolarHBondContact O-N 3.32Å; A635-K639 PolarHBondContact O-N 3.2Å
636L88.3Confident76.6Confident85 Ų85124.1 Ų124.145%0.44563%0.626SS.*Hα-helixtrans-65.8-42.2177.4-179.957.4000111.5A632 S633 K638 K639 I640A632-L636 HydrophobicContact CB-CB 4.28Å; A632-L636 HydrophobicContact CB-CD2 3.93Å; A632-L636 HydrophobicContact CB-CG 4.06Å; S633-L636 PolarHBondContact O-N 3.32Å; S633-L636 VanDerWaalsContact O-N 3.15Å; S633-L636 WeakPolarHBondContact OG-CB 3.42Å; S633-L636 PolarHBondContact OG-N 3.2Å; L636-K638 VanDerWaalsContact C-N 3.32Å; L636-K638 PolarHBondContact O-N 2.94Å; L636-K639 PolarHBondContact O-N 3.09Å; L636-I640 HydrophobicContact CD1-CD1 3.91Å; L636-I640 HydrophobicContact CD1-CG1 4.16Å; L636-I640 HydrophobicContact CG-CD1 3.88Å; L636-I640 WeakPolarHBondContact O-CG1 3.46Å; L636-I640 PolarHBondContact O-N 3.37Å
637K89.9Confident76.7Confident121 Ų121125.5 Ų125.553%0.52663%0.631SS.*Hα-helixtrans-57.6-42.6172.7-175-179.7177.4-175.50111.5S633 L641S633-K637 WeakPolarHBondContact O-CB 3.33Å; S633-K637 PolarHBondContact O-N 3.2Å; K637-L641 HydrophobicContact CG-CD1 4.32Å; K637-L641 WeakPolarHBondContact O-CB 3.3Å; K637-L641 PolarHBondContact O-N 2.94Å
638K85.3Confident76.8Confident122 Ų122123.1 Ų123.153%0.5363%0.626SS.*Hα-helixtrans-67.7-38.4175.3-78.2-178.667.6171.10113.1H634 A635 L636 R642H634-K638 WeakPolarHBondContact O-CB 3.46Å; H634-K638 WeakPolarHBondContact O-CG 3.31Å; H634-K638 PolarHBondContact O-N 3.03Å; A635-K638 PolarHBondContact O-N 3.32Å; L636-K638 VanDerWaalsContact C-N 3.32Å; L636-K638 PolarHBondContact O-N 2.94Å; K638-R642 WeakPolarHBondContact O-CG 3.25Å; K638-R642 PolarHBondContact O-N 3.15Å
639K85.4Confident76.5Confident145 Ų145125 Ų12563%0.6362%0.624SS**Hα-helixtrans-60.8-52.1171.8-75.6-171.4175.9-173.60110.7A635 L636 L641 R642 F643A635-K639 PolarHBondContact O-N 3.2Å; L636-K639 PolarHBondContact O-N 3.09Å; K639-L641 PolarHBondContact O-N 3.26Å; K639-R642 PolarHBondContact O-N 3.14Å; K639-F643 WeakPolarHBondContact O-CD2 3.43Å
640I83.4Confident75.7Confident73 Ų73120.9 Ų120.937%0.37462%0.615SS.*Hα-helixtrans-61.7-41.4-179.8-66.5168.6000111.8L636 R642 F643 R644L636-I640 HydrophobicContact CD1-CD1 3.91Å; L636-I640 HydrophobicContact CD1-CG1 4.16Å; L636-I640 HydrophobicContact CG-CD1 3.88Å; L636-I640 WeakPolarHBondContact O-CG1 3.46Å; L636-I640 PolarHBondContact O-N 3.37Å; I640-R642 VanDerWaalsContact C-N 3.32Å; I640-R642 PolarHBondContact O-N 3.21Å; I640-F643 PolarHBondContact O-N 3.16Å; I640-R644 HydrophobicContact CG2-CG 4.34Å; I640-R644 WeakPolarHBondContact O-CG 3.42Å; I640-R644 PolarHBondContact O-N 3.06Å
641L79.5Confident74.5Confident88 Ų88120.3 Ų120.346%0.46161%0.61SS.*Hα-helixtrans-61.9-37.3178.3-109.365.9000112.9K637 K639 F643 R644 T645K637-L641 HydrophobicContact CG-CD1 4.32Å; K637-L641 WeakPolarHBondContact O-CB 3.3Å; K637-L641 PolarHBondContact O-N 2.94Å; K639-L641 PolarHBondContact O-N 3.26Å; L641-F643 PolarHBondContact O-N 2.79Å; L641-R644 PolarHBondContact O-N 2.78Å; L641-T645 PolarHBondContact O-N 3.16Å; L641-T645 PolarHBondContact O-OG1 3.31Å
642R76.3Confident73.4Confident198 Ų198115.9 Ų115.975%0.74760%0.601SS**Hα-helixtrans-59.6-33.9176.4-76.2178.9167.9-141.6-4.3112.7K638 K639 I640K638-R642 WeakPolarHBondContact O-CG 3.25Å; K638-R642 PolarHBondContact O-N 3.15Å; K639-R642 PolarHBondContact O-N 3.14Å; I640-R642 VanDerWaalsContact C-N 3.32Å; I640-R642 PolarHBondContact O-N 3.21Å
643F71.5Confident71.8Confident143 Ų143119.6 Ų119.663%0.62762%0.619SS**Hα-helixtrans-83.7-6.8174.5-59.5-67000114.2K639 I640 L641K639-F643 WeakPolarHBondContact O-CD2 3.43Å; I640-F643 PolarHBondContact O-N 3.16Å; L641-F643 PolarHBondContact O-N 2.79Å
644R71.6Confident69.8Low201 Ų201125.9 Ų125.976%0.75865%0.653SS**Hα-helixtrans-102.4-13.8179.9-71.7-179.168.4144.43.9114.3I640 L641I640-R644 HydrophobicContact CG2-CG 4.34Å; I640-R644 WeakPolarHBondContact O-CG 3.42Å; I640-R644 PolarHBondContact O-N 3.06Å; L641-R644 PolarHBondContact O-N 2.78Å
645T60.7Low68.9Low123 Ų123125.2 Ų125.276%0.75565%0.654SS**Hα-helixtrans-106.5-15.4179.456.30000114L641L641-T645 PolarHBondContact O-N 3.16Å; L641-T645 PolarHBondContact O-OG1 3.31Å
646G59.5Low67.8Low43 Ų43128.3 Ų128.344%0.44366%0.659SS.*SBendtrans-100.2142.816600000110L648G646-L648 PolarHBondContact O-N 3.02Å; G646-L648 VanDerWaalsContact O-N 3.17Å
647S54.3Low66.7Low119 Ų119130.7 Ų130.783%0.83267%0.671SS**  trans-62.6117.2169.4-176.70000108.8K649S647-K649 PolarHBondContact O-N 2.93Å
648L59.3Low65.3Low129 Ų129131.2 Ų131.268%0.67568%0.68SS**  trans-73.974.5173-172.269.9000108.4G646 V650G646-L648 PolarHBondContact O-N 3.02Å; G646-L648 VanDerWaalsContact O-N 3.17Å; L648-V650 VanDerWaalsContact C-N 3.29Å; L648-V650 PolarHBondContact O-N 3.41Å
649K58.9Low64.1Low162 Ų162131.8 Ų131.870%0.70469%0.689SS**  trans-67.789.8177.3-173.5-172.7178.1-1720108.4S647 M651S647-K649 PolarHBondContact O-N 2.93Å; K649-M651 VanDerWaalsContact C-N 3.33Å; K649-M651 HydrophobicContact CD-CG 4.14Å; K649-M651 HydrophobicContact CG-CG 4.22Å; K649-M651 PolarHBondContact O-N 3.1Å
650V60.8Low62.6Low109 Ų109130.9 Ų130.966%0.66169%0.693SS**  trans-60.299.3166.4-178.30000106.9L648 T652L648-V650 VanDerWaalsContact C-N 3.29Å; L648-V650 PolarHBondContact O-N 3.41Å; V650-T652 PolarHBondContact O-N 3.35Å
651M50.3Low61.1Low135 Ų135135.1 Ų135.167%0.66572%0.716SS**  trans-78.882170.1-82.118048.700108K649 T653K649-M651 VanDerWaalsContact C-N 3.33Å; K649-M651 HydrophobicContact CD-CG 4.14Å; K649-M651 HydrophobicContact CG-CG 4.22Å; K649-M651 PolarHBondContact O-N 3.1Å; M651-T653 VanDerWaalsContact C-N 3.32Å; M651-T653 PolarHBondContact O-N 3.18Å
652T60.6Low59.7Low111 Ų111138.7 Ų138.768%0.68174%0.735SS**  trans-65.196.1163.6-43.10000107.5V650V650-T652 PolarHBondContact O-N 3.35Å
653T48.3Very low58.4Low124 Ų124133.8 Ų133.876%0.76173%0.734SS**  trans-71.9124.2169.848.50000108.4M651M651-T653 VanDerWaalsContact C-N 3.32Å; M651-T653 PolarHBondContact O-N 3.18Å
654V44.5Very low57.2Low206 Ų206132.9 Ų132.9100%1.24874%0.744SS**  trans-97.40175-177.90000108.5

Retrieved 654 of 654 residues in 113.3 ms (Link to these results)