A0A087XBV3_POEFO Loading...

Zinc transporter ZIP3

AlphaFold DB , UniProt , Accession A0A087XBV3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 173 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
1M59Low78.8Confident207 Ų207123.5 Ų123.5100%1.0265%0.652SS**  0-40.10-63.5-162.6-178.700113.3L3 L4 V5M1-L3 PolarHBondContact O-N 3.42Å; M1-L4 PolarHBondContact O-N 2.88Å; M1-V5 PolarHBondContact O-N 2.99Å
2Q69.4Low79.2Confident170 Ų170122.3 Ų122.379%0.79465%0.645SS**Hα-helixtrans-62.6-36.9-180-66.2179.6-2500114.7L4 V5 V6Q2-L4 VanDerWaalsContact C-N 3.32Å; Q2-L4 PolarHBondContact O-N 3.23Å; Q2-V5 PolarHBondContact O-N 3.02Å; Q2-V6 WeakPolarHBondContact O-CG2 3.47Å; Q2-V6 PolarHBondContact O-N 3.48Å; Q2-V6 VanDerWaalsContact O-N 3.1Å
3L77.8Confident79.2Confident147 Ų147116.2 Ų116.277%0.7763%0.629SS**Hα-helixtrans-63.2-34.3176-112.6117.8000113.7M1 K7M1-L3 PolarHBondContact O-N 3.42Å; L3-K7 PolarHBondContact O-N 2.99Å; L3-K7 VanDerWaalsContact O-N 3.13Å
4L79.4Confident78.8Confident117 Ų117116 Ų11661%0.61363%0.627SS**Hα-helixtrans-70.9-39.1177.2-85.5165.2000111.3M1 Q2 K7 L8M1-L4 PolarHBondContact O-N 2.88Å; Q2-L4 VanDerWaalsContact C-N 3.32Å; Q2-L4 PolarHBondContact O-N 3.23Å; L4-K7 PolarHBondContact O-N 3.47Å; L4-L8 WeakPolarHBondContact O-CB 3.44Å; L4-L8 WeakPolarHBondContact O-CG 3.23Å; L4-L8 PolarHBondContact O-N 2.89Å
5V84.8Confident78.4Confident92 Ų92112.6 Ų112.656%0.55862%0.615SS**Hα-helixtrans-63.7-43.8176.51770000110.7M1 Q2 K7 L8 L9M1-V5 PolarHBondContact O-N 2.99Å; Q2-V5 PolarHBondContact O-N 3.02Å; V5-K7 PolarHBondContact O-N 3.43Å; V5-L8 PolarHBondContact O-N 3.12Å; V5-L9 VanDerWaalsContact O-CB 3.29Å; V5-L9 WeakPolarHBondContact O-CB 3.35Å; V5-L9 PolarHBondContact O-N 2.73Å
6V85.4Confident78Confident106 Ų106109.7 Ų109.764%0.64261%0.606SS**Hα-helixtrans-63-42.5176.7172.70000111.6Q2 L9 G10Q2-V6 WeakPolarHBondContact O-CG2 3.47Å; Q2-V6 PolarHBondContact O-N 3.48Å; Q2-V6 VanDerWaalsContact O-N 3.1Å; V6-L9 PolarHBondContact O-N 3.32Å; V6-G10 PolarHBondContact O-N 3.45Å
7K78.5Confident78Confident152 Ų152110.7 Ų110.766%0.66161%0.609SS**Hα-helixtrans-61.2-46.4174.6-94.4-178.6163.7178.90112.3L3 L4 V5 G10 L11L3-K7 PolarHBondContact O-N 2.99Å; L3-K7 VanDerWaalsContact O-N 3.13Å; L4-K7 PolarHBondContact O-N 3.47Å; V5-K7 PolarHBondContact O-N 3.43Å; K7-G10 PolarHBondContact O-N 2.72Å; K7-L11 WeakPolarHBondContact O-CB 3.47Å; K7-L11 PolarHBondContact O-N 2.81Å
8L85.9Confident77.7Confident115 Ų115107.8 Ų107.860%0.60259%0.591SS**Hα-helixtrans-65.2-42.3179.2-82.3165.2000112.1L4 V5 L11 L12L4-L8 WeakPolarHBondContact O-CB 3.44Å; L4-L8 WeakPolarHBondContact O-CG 3.23Å; L4-L8 PolarHBondContact O-N 2.89Å; V5-L8 PolarHBondContact O-N 3.12Å; L8-L11 PolarHBondContact O-N 2.87Å; L8-L12 WeakPolarHBondContact O-CB 3.44Å; L8-L12 PolarHBondContact O-N 3.31Å
9L87.1Confident77.2Confident123 Ų123107.7 Ų107.764%0.64459%0.589SS**Hα-helixtrans-67.6-39178.6-159.574.6000111.3V5 V6 L12 G13V5-L9 VanDerWaalsContact O-CB 3.29Å; V5-L9 WeakPolarHBondContact O-CB 3.35Å; V5-L9 PolarHBondContact O-N 2.73Å; V6-L9 PolarHBondContact O-N 3.32Å; L9-L12 PolarHBondContact O-N 3.39Å; L9-G13 PolarHBondContact O-N 3.34Å
10G80.3Confident76.8Confident37 Ų37105.1 Ų105.138%0.38158%0.582SS.*Hα-helixtrans-62.4-45.5172.800000112.3V6 K7 G13 L14V6-G10 PolarHBondContact O-N 3.45Å; K7-G10 PolarHBondContact O-N 2.72Å; G10-G13 PolarHBondContact O-N 2.96Å; G10-L14 WeakPolarHBondContact O-CB 3.09Å; G10-L14 VanDerWaalsContact O-CG 3.3Å; G10-L14 WeakPolarHBondContact O-CG 3.32Å; G10-L14 PolarHBondContact O-N 3.44Å
11L79.9Confident76.2Confident93 Ų93102.3 Ų102.349%0.48758%0.578SS.*Hα-helixtrans-61.6-45175.6-109.1164.9000112K7 L8 L14 S15K7-L11 WeakPolarHBondContact O-CB 3.47Å; K7-L11 PolarHBondContact O-N 2.81Å; L8-L11 PolarHBondContact O-N 2.87Å; L11-L14 PolarHBondContact O-N 3.22Å; L11-S15 WeakPolarHBondContact O-CB 3.35Å; L11-S15 PolarHBondContact O-N 3.34Å
12L82.6Confident76.4Confident109 Ų10995 Ų9557%0.57154%0.542SS*.Hα-helixtrans-64.5-41.1179.1-170.470.7000111.6L8 L9 S15 S16L8-L12 WeakPolarHBondContact O-CB 3.44Å; L8-L12 PolarHBondContact O-N 3.31Å; L9-L12 PolarHBondContact O-N 3.39Å; L12-S15 PolarHBondContact O-N 3.03Å; L12-S16 WeakPolarHBondContact O-CB 3.25Å; L12-S16 PolarHBondContact O-N 2.74Å; L12-S16 PolarHBondContact O-OG 3.09Å
13G79.9Confident76.1Confident42 Ų4290.9 Ų90.943%0.43353%0.526SS..Hα-helixtrans-62.9-49.617600000112.2L9 G10 S15 S16 L17L9-G13 PolarHBondContact O-N 3.34Å; G10-G13 PolarHBondContact O-N 2.96Å; G13-S15 VanDerWaalsContact C-N 3.35Å; G13-S15 PolarHBondContact O-N 3.46Å; G13-S16 PolarHBondContact O-N 2.98Å; G13-L17 WeakPolarHBondContact O-CB 3.46Å; G13-L17 PolarHBondContact O-N 2.91Å
14L73.9Confident75.6Confident114 Ų11489 Ų8960%0.59752%0.516SS*.Hα-helixtrans-63.7-40.4177.1-69.7171.5000111.9G10 L11 L17 M18G10-L14 WeakPolarHBondContact O-CB 3.09Å; G10-L14 VanDerWaalsContact O-CG 3.3Å; G10-L14 WeakPolarHBondContact O-CG 3.32Å; G10-L14 PolarHBondContact O-N 3.44Å; L11-L14 PolarHBondContact O-N 3.22Å; L14-L17 PolarHBondContact O-N 3.3Å; L14-M18 WeakPolarHBondContact O-CB 3.34Å; L14-M18 WeakPolarHBondContact O-CG 3.37Å; L14-M18 PolarHBondContact O-N 3.22Å
15S72.9Confident74.5Confident65 Ų6586.1 Ų86.146%0.45550%0.504SS..Hα-helixtrans-61.8-45.3176-175.20000111.6L11 L12 G13 M18 L19L11-S15 WeakPolarHBondContact O-CB 3.35Å; L11-S15 PolarHBondContact O-N 3.34Å; L12-S15 PolarHBondContact O-N 3.03Å; G13-S15 VanDerWaalsContact C-N 3.35Å; G13-S15 PolarHBondContact O-N 3.46Å; S15-M18 PolarHBondContact O-N 3Å; S15-L19 WeakPolarHBondContact O-CB 3.17Å; S15-L19 PolarHBondContact O-N 3.4Å
16S71.8Confident73.4Confident66 Ų6685.3 Ų85.346%0.46250%0.499SS..Hα-helixtrans-67.6-39.5179.6-570000111.6L12 G13 L19 A20L12-S16 WeakPolarHBondContact O-CB 3.25Å; L12-S16 PolarHBondContact O-N 2.74Å; L12-S16 PolarHBondContact O-OG 3.09Å; G13-S16 PolarHBondContact O-N 2.98Å; S16-L19 PolarHBondContact O-N 3.45Å; S16-A20 WeakPolarHBondContact O-CB 3.23Å; S16-A20 PolarHBondContact O-N 2.9Å
17L76.9Confident72.3Confident127 Ų12788.4 Ų88.467%0.66550%0.499SS*.Hα-helixtrans-66.6-41.3177.5-169.166.9000111.8G13 L14 G21G13-L17 WeakPolarHBondContact O-CB 3.46Å; G13-L17 PolarHBondContact O-N 2.91Å; L14-L17 PolarHBondContact O-N 3.3Å; L17-G21 PolarHBondContact O-N 3.22Å
18M72.4Confident71.5Confident58 Ų5884.8 Ų84.829%0.28649%0.487SS..Hα-helixtrans-63.4-44.9172.1-76.6-125.3-78.900111.4L14 S15 A20 G21 I22 L160 L163 V164 L167L14-M18 WeakPolarHBondContact O-CB 3.34Å; L14-M18 WeakPolarHBondContact O-CG 3.37Å; L14-M18 PolarHBondContact O-N 3.22Å; S15-M18 PolarHBondContact O-N 3Å; M18-A20 PolarHBondContact O-N 3.49Å; M18-G21 PolarHBondContact O-N 2.8Å; M18-I22 WeakPolarHBondContact O-CD1 3.28Å; M18-I22 VanDerWaalsContact O-CG1 3.24Å; M18-I22 WeakPolarHBondContact O-CG1 3.34Å; M18-I22 PolarHBondContact O-N 3.46Å; M18-I22 VanDerWaalsContact O-N 3.07Å; M18-L160 HydrophobicContact CB-CD2 4.12Å; M18-L160 HydrophobicContact CE-CD2 4.07Å; M18-L160 HydrophobicContact CG-CD2 4.48Å; M18-L160 HydrophobicContact SD-CD2 3.6Å; M18-L160 VanDerWaalsContact SD-CD2 3.6Å; M18-L163 HydrophobicContact CE-CB 4.5Å; M18-V164 HydrophobicContact CE-CG2 4Å; M18-L167 HydrophobicContact CE-CD1 4.15Å
19L68.3Low70.2Confident106 Ų10682.4 Ų82.456%0.55547%0.474SS*.Hα-helixtrans-61.3-44.4178.3-140.590.3000111.5S15 S16 I22 L23S15-L19 WeakPolarHBondContact O-CB 3.17Å; S15-L19 PolarHBondContact O-N 3.4Å; S16-L19 PolarHBondContact O-N 3.45Å; L19-I22 PolarHBondContact O-N 2.8Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 PolarHBondContact O-N 2.87Å
20A68.9Low68.9Low55 Ų5582.6 Ų82.646%0.45548%0.475SS..Hα-helixtrans-64.1-41.5176.200000111.7S16 M18 I22 L23 L24S16-A20 WeakPolarHBondContact O-CB 3.23Å; S16-A20 PolarHBondContact O-N 2.9Å; M18-A20 PolarHBondContact O-N 3.49Å; A20-I22 PolarHBondContact O-N 3.42Å; A20-L23 PolarHBondContact O-N 3.5Å; A20-L24 WeakPolarHBondContact O-CB 3.44Å; A20-L24 PolarHBondContact O-N 3.23Å
21G64.8Low67.8Low48 Ų4884.8 Ų84.850%0.49549%0.49SS..Hα-helixtrans-60.9-30.5175.800000113.8L17 M18 P25L17-G21 PolarHBondContact O-N 3.22Å; M18-G21 PolarHBondContact O-N 2.8Å; G21-P25 WeakPolarHBondContact O-CD 3.33Å
22I63.5Low66.7Low52 Ų5282.1 Ų82.127%0.26748%0.476SS..Hα-helixtrans-81.7-41.8173.8-59.7162.6000111.9M18 L19 A20 L24 P25 V26 L160M18-I22 WeakPolarHBondContact O-CD1 3.28Å; M18-I22 VanDerWaalsContact O-CG1 3.24Å; M18-I22 WeakPolarHBondContact O-CG1 3.34Å; M18-I22 PolarHBondContact O-N 3.46Å; M18-I22 VanDerWaalsContact O-N 3.07Å; L19-I22 PolarHBondContact O-N 2.8Å; A20-I22 PolarHBondContact O-N 3.42Å; I22-L24 VanDerWaalsContact C-N 3.32Å; I22-L24 PolarHBondContact O-N 3.44Å; I22-P25 VanDerWaalsContact O-CD 3.27Å; I22-P25 WeakPolarHBondContact O-CD 3.33Å; I22-P25 VanDerWaalsContact O-CG 3.3Å; I22-P25 WeakPolarHBondContact O-CG 3.34Å; I22-V26 WeakPolarHBondContact O-CG2 3.28Å; I22-L160 HydrophobicContact CD1-CB 3.92Å; I22-L160 HydrophobicContact CD1-CD1 3.47Å; I22-L160 VanDerWaalsContact CD1-CD1 3.47Å; I22-L160 HydrophobicContact CD1-CD2 3.2Å; I22-L160 HydrophobicContact CD1-CG 3.62Å; I22-L160 HydrophobicContact CG1-CD1 3.23Å; I22-L160 HydrophobicContact CG1-CD2 3.78Å; I22-L160 HydrophobicContact CG1-CG 3.95Å
23L63.3Low65.4Low85 Ų8581.8 Ų81.845%0.44548%0.483SS..Hα-helixtrans-70.8-31-176.9-119.769.2000111.8L19 A20 V26 R27L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 PolarHBondContact O-N 2.87Å; A20-L23 PolarHBondContact O-N 3.5Å; L23-V26 PolarHBondContact O-N 3.37Å; L23-R27 VanDerWaalsContact O-CB 3.29Å; L23-R27 WeakPolarHBondContact O-CB 3.41Å; L23-R27 VanDerWaalsContact O-CG 3.25Å; L23-R27 WeakPolarHBondContact O-CG 3.01Å; L23-R27 PolarHBondContact O-N 3.41Å
24L66.2Low64.2Low108 Ų10889 Ų8957%0.56551%0.505SS*.Hα-helixtrans-59.9-53.6-178.4-167.969.1000113A20 I22 V26 R27 L28A20-L24 WeakPolarHBondContact O-CB 3.44Å; A20-L24 PolarHBondContact O-N 3.23Å; I22-L24 VanDerWaalsContact C-N 3.32Å; I22-L24 PolarHBondContact O-N 3.44Å; L24-V26 VanDerWaalsContact C-N 3.3Å; L24-V26 PolarHBondContact O-N 2.9Å; L24-R27 PolarHBondContact O-N 3Å; L24-L28 HydrophobicContact CD1-CD1 4.13Å; L24-L28 HydrophobicContact CD1-CG 4.47Å; L24-L28 HydrophobicContact CG-CD1 3.93Å; L24-L28 WeakPolarHBondContact O-CB 3.37Å; L24-L28 WeakPolarHBondContact O-CD1 3.48Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 2.99Å
25P57.2Low63.2Low56 Ų5687.2 Ų87.236%0.36449%0.492SS..Hα-helixtrans-64.3-34.717724.8-34.1000112.2G21 I22 L29 L43G21-P25 WeakPolarHBondContact O-CD 3.33Å; I22-P25 VanDerWaalsContact O-CD 3.27Å; I22-P25 WeakPolarHBondContact O-CD 3.33Å; I22-P25 VanDerWaalsContact O-CG 3.3Å; I22-P25 WeakPolarHBondContact O-CG 3.34Å; P25-L29 WeakPolarHBondContact O-CB 3.39Å; P25-L29 PolarHBondContact O-N 2.87Å; P25-L43 HydrophobicContact CB-CD2 4.42Å
26V60.7Low62.3Low74 Ų7487.5 Ų87.545%0.44850%0.499SS..Hα-helixtrans-68.5-47.6178.5175.70000111.3I22 L23 L24 L28 L29 L30I22-V26 WeakPolarHBondContact O-CG2 3.28Å; L23-V26 PolarHBondContact O-N 3.37Å; L24-V26 VanDerWaalsContact C-N 3.3Å; L24-V26 PolarHBondContact O-N 2.9Å; V26-L28 PolarHBondContact O-N 3.29Å; V26-L29 PolarHBondContact O-N 2.93Å; V26-L30 HydrophobicContact CG1-CD1 3.9Å; V26-L30 WeakPolarHBondContact O-CD1 3.43Å; V26-L30 PolarHBondContact O-N 3.49Å
27R63.8Low61.6Low172 Ų17287.4 Ų87.465%0.64951%0.508SS*.Hα-helixtrans-66.3-38.2-179.9-73.5-70.5-175.7176.10.2112L23 L24 A31L23-R27 VanDerWaalsContact O-CB 3.29Å; L23-R27 WeakPolarHBondContact O-CB 3.41Å; L23-R27 VanDerWaalsContact O-CG 3.25Å; L23-R27 WeakPolarHBondContact O-CG 3.01Å; L23-R27 PolarHBondContact O-N 3.41Å; L24-R27 PolarHBondContact O-N 3Å; R27-A31 VanDerWaalsContact O-CB 3.25Å; R27-A31 WeakPolarHBondContact O-CB 3.32Å; R27-A31 PolarHBondContact O-N 2.8Å
28L61.3Low60.6Low75 Ų7589.6 Ų89.639%0.39351%0.508SS..Hα-helixtrans-72.7-37.2178.1-60.2166.8000112.1L24 V26 L30 A31 D32 Y39L24-L28 HydrophobicContact CD1-CD1 4.13Å; L24-L28 HydrophobicContact CD1-CG 4.47Å; L24-L28 HydrophobicContact CG-CD1 3.93Å; L24-L28 WeakPolarHBondContact O-CB 3.37Å; L24-L28 WeakPolarHBondContact O-CD1 3.48Å; L24-L28 WeakPolarHBondContact O-CG 3.48Å; L24-L28 PolarHBondContact O-N 2.99Å; V26-L28 PolarHBondContact O-N 3.29Å; L28-L30 PolarHBondContact O-N 3Å; L28-A31 PolarHBondContact O-N 3.41Å; L28-D32 PolarHBondContact O-N 3.4Å; L28-Y39 HydrophobicContact CB-CD1 4.45Å; L28-Y39 HydrophobicContact CB-CE1 3.43Å; L28-Y39 VanDerWaalsContact CB-CE1 3.43Å; L28-Y39 HydrophobicContact CG-CE1 4.5Å; L28-Y39 VanDerWaalsContact O-CZ 3.23Å; L28-Y39 PolarHBondContact O-OH 2.93Å
29L59.3Low59.9Low66 Ų6689.3 Ų89.335%0.34650%0.504SS..Hα-helixtrans-63.1-40.5173.6-167.188.2000112.1P25 V26P25-L29 WeakPolarHBondContact O-CB 3.39Å; P25-L29 PolarHBondContact O-N 2.87Å; V26-L29 PolarHBondContact O-N 2.93Å
30L58.3Low59.5Low127 Ų12788.8 Ų88.867%0.66550%0.498SS*.Hα-helixtrans-72.3-32.9177.5-9282.4000113.1V26 L28V26-L30 HydrophobicContact CG1-CD1 3.9Å; V26-L30 WeakPolarHBondContact O-CD1 3.43Å; V26-L30 PolarHBondContact O-N 3.49Å; L28-L30 PolarHBondContact O-N 3Å
31A58.8Low58.9Low83 Ų8395.5 Ų95.569%0.68651%0.512SS*.Hα-helixtrans-76.6-23.7-176.100000113.5R27 L28R27-A31 VanDerWaalsContact O-CB 3.25Å; R27-A31 WeakPolarHBondContact O-CB 3.32Å; R27-A31 PolarHBondContact O-N 2.8Å; L28-A31 PolarHBondContact O-N 3.41Å
32D56.4Low58.7Low36 Ų3695.3 Ų95.319%0.19351%0.51CS..  trans-150.469.7-168.4-156.4-54.9000111.7L28 E34 K35 Y39L28-D32 PolarHBondContact O-N 3.4Å; D32-E34 PolarHBondContact O-N 2.72Å; D32-K35 VanDerWaalsContact CG-CD 3.44Å; D32-K35 WeakPolarHBondContact OD1-CB 3.43Å; D32-K35 WeakPolarHBondContact OD1-CD 3.11Å; D32-K35 WeakPolarHBondContact OD1-CG 3.01Å; D32-K35 PolarHBondContact OD1-N 3.4Å; D32-K35 VanDerWaalsContact OD1-N 3.17Å; D32-K35 IonicContact OD1-NZ 2.72Å; D32-K35 VanDerWaalsContact OD2-CD 3.23Å; D32-K35 WeakPolarHBondContact OD2-CD 3.22Å; D32-K35 WeakPolarHBondContact OD2-CE 3.48Å; D32-K35 IonicContact OD2-NZ 3.96Å; D32-K35 PolarHBondContact OD2-NZ 3.28Å; D32-Y39 HydrophobicContact CB-CE2 3.84Å; D32-Y39 WeakPolarHBondContact CB-OH 3.47Å; D32-Y39 VanDerWaalsContact O-CE2 3.23Å; D32-Y39 WeakPolarHBondContact O-CE2 3.26Å
33S54.3Low58.6Low102 Ų10297.1 Ų97.171%0.71352%0.52SS*.G310 helixtrans-66.2-13.8174.2-86.70000113.9
34E54.8Low58.3Low193 Ų19395.6 Ų95.690%0.90252%0.519SS*.G310 helixtrans-85.2-22.9-176.1-150.6-176.693.900112.6D32D32-E34 PolarHBondContact O-N 2.72Å
35K53.9Low58Low77 Ų7796.1 Ų96.134%0.33552%0.522SS..G310 helixtrans-100.935.1-178.8-62.7167.6-167.41570113.9D32 G37 R38 Y39D32-K35 VanDerWaalsContact CG-CD 3.44Å; D32-K35 WeakPolarHBondContact OD1-CB 3.43Å; D32-K35 WeakPolarHBondContact OD1-CD 3.11Å; D32-K35 WeakPolarHBondContact OD1-CG 3.01Å; D32-K35 PolarHBondContact OD1-N 3.4Å; D32-K35 VanDerWaalsContact OD1-N 3.17Å; D32-K35 IonicContact OD1-NZ 2.72Å; D32-K35 VanDerWaalsContact OD2-CD 3.23Å; D32-K35 WeakPolarHBondContact OD2-CD 3.22Å; D32-K35 WeakPolarHBondContact OD2-CE 3.48Å; D32-K35 IonicContact OD2-NZ 3.96Å; D32-K35 PolarHBondContact OD2-NZ 3.28Å; K35-G37 PolarHBondContact O-N 3.47Å; K35-R38 VanDerWaalsContact CE-NH2 3.31Å; K35-R38 VanDerWaalsContact CG-NH2 3.32Å; K35-R38 PolarHBondContact O-N 2.85Å; K35-Y39 HydrophobicContact CB-CD2 4.49Å; K35-Y39 HydrophobicContact CB-CE2 4.32Å; K35-Y39 WeakPolarHBondContact O-CD2 3.03Å; K35-Y39 PolarHBondContact O-N 3.16Å
36A54.2Low58.3Low71 Ų7195.5 Ų95.559%0.58753%0.526SS*.Hα-helixtrans-46.8-33.5-177.200000114.4
37G56.3Low58.4Low64 Ų6498.3 Ų98.366%0.6654%0.538SS*.Hα-helixtrans-68.8-32.5176.600000115.6K35K35-G37 PolarHBondContact O-N 3.47Å
38R57.2Low58.2Low174 Ų17494.6 Ų94.666%0.65754%0.538SS*.Hα-helixtrans-77.4-30.9177.6-87.2-177.7-81.3177.9-16.8112.4K35 R41 G42K35-R38 VanDerWaalsContact CE-NH2 3.31Å; K35-R38 VanDerWaalsContact CG-NH2 3.32Å; K35-R38 PolarHBondContact O-N 2.85Å; R38-R41 PolarHBondContact O-N 3.32Å; R38-G42 PolarHBondContact O-N 2.93Å; R38-G42 VanDerWaalsContact O-N 3.16Å
39Y56.9Low58.5Low51 Ų5198.2 Ų98.220%0.255%0.551CS.*Hα-helixtrans-63.1-40.6176.5-82.2-68.4000113L28 D32 K35 R41 G42 L43L28-Y39 HydrophobicContact CB-CD1 4.45Å; L28-Y39 HydrophobicContact CB-CE1 3.43Å; L28-Y39 VanDerWaalsContact CB-CE1 3.43Å; L28-Y39 HydrophobicContact CG-CE1 4.5Å; L28-Y39 VanDerWaalsContact O-CZ 3.23Å; L28-Y39 PolarHBondContact O-OH 2.93Å; D32-Y39 HydrophobicContact CB-CE2 3.84Å; D32-Y39 WeakPolarHBondContact CB-OH 3.47Å; D32-Y39 VanDerWaalsContact O-CE2 3.23Å; D32-Y39 WeakPolarHBondContact O-CE2 3.26Å; K35-Y39 HydrophobicContact CB-CD2 4.49Å; K35-Y39 HydrophobicContact CB-CE2 4.32Å; K35-Y39 WeakPolarHBondContact O-CD2 3.03Å; K35-Y39 PolarHBondContact O-N 3.16Å; Y39-R41 VanDerWaalsContact C-N 3.27Å; Y39-R41 PolarHBondContact O-N 3.36Å; Y39-G42 PolarHBondContact O-N 3.43Å; Y39-L43 WeakPolarHBondContact O-CB 3.44Å; Y39-L43 WeakPolarHBondContact O-CD1 3.4Å; Y39-L43 WeakPolarHBondContact O-CG 3.38Å; Y39-L43 PolarHBondContact O-N 3.4Å
40H60.2Low58.7Low96 Ų9696.9 Ų96.944%0.44455%0.553SS.*Hα-helixtrans-58-41177.5-169.4-93.3000112A44 T119H40-A44 WeakPolarHBondContact O-CB 3.43Å; H40-A44 PolarHBondContact O-N 3.28Å; H40-T119 PolarHBondContact CE1-OG1 3.38Å
41R55.4Low59Low195 Ų19592.8 Ų92.874%0.73654%0.542SS*.Hα-helixtrans-71-40.8179.3-145.6170.1-174.8162.90.4112R38 Y39 A44 L45R38-R41 PolarHBondContact O-N 3.32Å; Y39-R41 VanDerWaalsContact C-N 3.27Å; Y39-R41 PolarHBondContact O-N 3.36Å; R41-A44 PolarHBondContact O-N 3.43Å; R41-L45 WeakPolarHBondContact O-CB 3.2Å; R41-L45 VanDerWaalsContact O-CG 3.25Å; R41-L45 WeakPolarHBondContact O-CG 3.27Å; R41-L45 PolarHBondContact O-N 3.15Å
42G61.3Low59.4Low44 Ų4490.8 Ų90.845%0.45453%0.529SS..Hα-helixtrans-64.9-41.1175.100000113.1R38 Y39 G46R38-G42 PolarHBondContact O-N 2.93Å; R38-G42 VanDerWaalsContact O-N 3.16Å; Y39-G42 PolarHBondContact O-N 3.43Å; G42-G46 PolarHBondContact O-N 3.08Å
43L60.5Low60.2Low90 Ų9092.4 Ų92.447%0.47154%0.54SS..Hα-helixtrans-66.1-42.3175.5-80.9155.9000112P25 Y39 G46 N47P25-L43 HydrophobicContact CB-CD2 4.42Å; Y39-L43 WeakPolarHBondContact O-CB 3.44Å; Y39-L43 WeakPolarHBondContact O-CD1 3.4Å; Y39-L43 WeakPolarHBondContact O-CG 3.38Å; Y39-L43 PolarHBondContact O-N 3.4Å; L43-G46 PolarHBondContact O-N 2.9Å; L43-N47 WeakPolarHBondContact O-CB 3.43Å; L43-N47 PolarHBondContact O-N 3.32Å
44A57.4Low60.9Low53 Ų5392.6 Ų92.644%0.43853%0.528SS..Hα-helixtrans-63.4-44176.200000112.1H40 R41 N47 C48H40-A44 WeakPolarHBondContact O-CB 3.43Å; H40-A44 PolarHBondContact O-N 3.28Å; R41-A44 PolarHBondContact O-N 3.43Å; A44-N47 PolarHBondContact O-N 3Å; A44-C48 WeakPolarHBondContact O-CB 3.46Å; A44-C48 PolarHBondContact O-N 3.14Å
45L59.2Low61.7Low120 Ų12086.5 Ų86.563%0.62850%0.501SS*.Hα-helixtrans-65.3-41.8175.3-70.8172.5000111.8R41 C48 F49R41-L45 WeakPolarHBondContact O-CB 3.2Å; R41-L45 VanDerWaalsContact O-CG 3.25Å; R41-L45 WeakPolarHBondContact O-CG 3.27Å; R41-L45 PolarHBondContact O-N 3.15Å; L45-C48 PolarHBondContact O-N 3.14Å; L45-F49 WeakPolarHBondContact O-CB 3.25Å; L45-F49 PolarHBondContact O-N 2.8Å
46G63.6Low62.6Low43 Ų4385.5 Ų85.544%0.44351%0.508SS..Hα-helixtrans-62.7-41.3175.800000112.8G42 L43 F49 G50G42-G46 PolarHBondContact O-N 3.08Å; L43-G46 PolarHBondContact O-N 2.9Å; G46-F49 PolarHBondContact O-N 3.5Å; G46-G50 PolarHBondContact O-N 3.01Å
47N62.6Low63.7Low132 Ų13285.8 Ų85.871%0.70650%0.502SS*.Hα-helixtrans-68.7-41.4176.8-167.448.7000112.1L43 A44 F49 G50 G51L43-N47 WeakPolarHBondContact O-CB 3.43Å; L43-N47 PolarHBondContact O-N 3.32Å; A44-N47 PolarHBondContact O-N 3Å; N47-F49 VanDerWaalsContact C-N 3.34Å; N47-G50 PolarHBondContact O-N 2.94Å; N47-G51 PolarHBondContact O-N 3.42Å
48C61.6Low64.2Low95 Ų9583.8 Ų83.864%0.64248%0.478SS*.Hα-helixtrans-63.5-41173.9-173.20000111.8A44 L45 G51 G52A44-C48 WeakPolarHBondContact O-CB 3.46Å; A44-C48 PolarHBondContact O-N 3.14Å; L45-C48 PolarHBondContact O-N 3.14Å; C48-G51 PolarHBondContact O-N 2.93Å; C48-G52 PolarHBondContact O-N 3.19Å
49F65.6Low64.9Low150 Ų15080 Ų8066%0.65847%0.466SS*.Hα-helixtrans-67.1-45177.6-175.7-99.7000111.6L45 G46 N47 G51 G52 V53L45-F49 WeakPolarHBondContact O-CB 3.25Å; L45-F49 PolarHBondContact O-N 2.8Å; G46-F49 PolarHBondContact O-N 3.5Å; N47-F49 VanDerWaalsContact C-N 3.34Å; F49-G51 VanDerWaalsContact C-N 3.34Å; F49-G51 PolarHBondContact O-N 3.44Å; F49-G52 PolarHBondContact O-N 3.45Å; F49-G52 VanDerWaalsContact O-N 3.13Å; F49-V53 HydrophobicContact CD1-CG2 4.12Å; F49-V53 HydrophobicContact CE1-CG2 3.73Å; F49-V53 HydrophobicContact CE2-CG2 4.41Å; F49-V53 HydrophobicContact CZ-CG2 3.89Å; F49-V53 WeakPolarHBondContact O-CG2 3.45Å; F49-V53 PolarHBondContact O-N 3.29Å
50G64.7Low65.6Low38 Ų3884 Ų8439%0.39249%0.491SS..Hα-helixtrans-59.6-4317500000112.3G46 N47 G52 V53 F54G46-G50 PolarHBondContact O-N 3.01Å; N47-G50 PolarHBondContact O-N 2.94Å; G50-G52 PolarHBondContact O-N 3.39Å; G50-V53 PolarHBondContact O-N 3.45Å; G50-F54 WeakPolarHBondContact O-CB 3.44Å; G50-F54 PolarHBondContact O-N 3.46Å
51G64.8Low66.2Low42 Ų4282 Ų8243%0.43349%0.491SS..Hα-helixtrans-59.9-42.8172.300000112.7N47 C48 F49 F54 L55N47-G51 PolarHBondContact O-N 3.42Å; C48-G51 PolarHBondContact O-N 2.93Å; F49-G51 VanDerWaalsContact C-N 3.34Å; F49-G51 PolarHBondContact O-N 3.44Å; G51-F54 PolarHBondContact O-N 3.27Å; G51-L55 WeakPolarHBondContact O-CB 3.37Å; G51-L55 PolarHBondContact O-N 3.13Å
52G67.6Low66.9Low40 Ų4077 Ų7741%0.41248%0.479SS..Hα-helixtrans-64.2-43.1176.500000113.6C48 F49 G50 L55 A56C48-G52 PolarHBondContact O-N 3.19Å; F49-G52 PolarHBondContact O-N 3.45Å; F49-G52 VanDerWaalsContact O-N 3.13Å; G50-G52 PolarHBondContact O-N 3.39Å; G52-L55 PolarHBondContact O-N 2.71Å; G52-A56 VanDerWaalsContact O-CB 3.28Å; G52-A56 WeakPolarHBondContact O-CB 3.24Å; G52-A56 PolarHBondContact O-N 3.02Å
53V72.5Confident67.4Low71 Ų7177 Ų7743%0.4347%0.468SS..Hα-helixtrans-66.5-40177.3174.90000111.4F49 G50 A56 T57F49-V53 HydrophobicContact CD1-CG2 4.12Å; F49-V53 HydrophobicContact CE1-CG2 3.73Å; F49-V53 HydrophobicContact CE2-CG2 4.41Å; F49-V53 HydrophobicContact CZ-CG2 3.89Å; F49-V53 WeakPolarHBondContact O-CG2 3.45Å; F49-V53 PolarHBondContact O-N 3.29Å; G50-V53 PolarHBondContact O-N 3.45Å; V53-A56 PolarHBondContact O-N 2.94Å; V53-T57 WeakPolarHBondContact O-CB 3.34Å; V53-T57 PolarHBondContact O-N 2.83Å; V53-T57 PolarHBondContact O-OG1 2.9Å
54F68.1Low67.8Low106 Ų10676.1 Ų76.147%0.46547%0.468SS..Hα-helixtrans-61.9-46.9173.5178.6-103.7000111.6G50 G51 T57 C58 M97G50-F54 WeakPolarHBondContact O-CB 3.44Å; G50-F54 PolarHBondContact O-N 3.46Å; G51-F54 PolarHBondContact O-N 3.27Å; F54-T57 PolarHBondContact O-N 3.27Å; F54-C58 WeakPolarHBondContact O-CB 3.21Å; F54-C58 PolarHBondContact O-N 2.85Å; F54-M97 HydrophobicContact CE1-CE 4.44Å; F54-M97 HydrophobicContact CE1-CG 4.38Å; F54-M97 HydrophobicContact CE2-CE 4.47Å; F54-M97 HydrophobicContact CZ-CE 3.88Å; F54-M97 HydrophobicContact CZ-CG 4.34Å; F54-M97 HydrophobicContact CZ-SD 4.26Å
55L71.9Confident68.5Low64 Ų6476 Ų7634%0.33547%0.467SS..Hα-helixtrans-63.5-43.1178.5-167.672000111.8G51 G52 C58 F59 F94G51-L55 WeakPolarHBondContact O-CB 3.37Å; G51-L55 PolarHBondContact O-N 3.13Å; G52-L55 PolarHBondContact O-N 2.71Å; L55-C58 WeakPolarHBondContact O-CB 3.4Å; L55-C58 PolarHBondContact O-N 3.49Å; L55-F59 HydrophobicContact CD1-CD2 4.08Å; L55-F59 HydrophobicContact CD1-CE2 3.63Å; L55-F59 HydrophobicContact CD2-CE2 4.23Å; L55-F59 HydrophobicContact CG-CD2 3.83Å; L55-F59 HydrophobicContact CG-CE2 3.75Å; L55-F59 WeakPolarHBondContact O-CD2 3.16Å; L55-F59 PolarHBondContact O-N 2.76Å; L55-F94 HydrophobicContact CD1-CD2 4.21Å; L55-F94 HydrophobicContact CD1-CE2 3.56Å; L55-F94 HydrophobicContact CD1-CZ 4.09Å
56A72.1Confident69.1Low57 Ų5772.5 Ų72.547%0.47145%0.45SS..Hα-helixtrans-63.5-40.3176.700000112G52 V53 N60G52-A56 VanDerWaalsContact O-CB 3.28Å; G52-A56 WeakPolarHBondContact O-CB 3.24Å; G52-A56 PolarHBondContact O-N 3.02Å; V53-A56 PolarHBondContact O-N 2.94Å; A56-N60 WeakPolarHBondContact O-CB 3.17Å; A56-N60 PolarHBondContact O-N 3.47Å
57T77.3Confident69.3Low77 Ų7774.7 Ų74.747%0.47245%0.445SS..Hα-helixtrans-65.7-41.9174.9-56.90000110.8V53 F54 A61 L62V53-T57 WeakPolarHBondContact O-CB 3.34Å; V53-T57 PolarHBondContact O-N 2.83Å; V53-T57 PolarHBondContact O-OG1 2.9Å; F54-T57 PolarHBondContact O-N 3.27Å; T57-A61 HydrophobicContact CG2-CB 4.3Å; T57-A61 WeakPolarHBondContact O-CA 3.34Å; T57-A61 VanDerWaalsContact O-CB 3.24Å; T57-A61 WeakPolarHBondContact O-CB 3.13Å; T57-A61 PolarHBondContact O-N 2.76Å; T57-L62 PolarHBondContact O-N 2.89Å
58C68.6Low69.8Low22 Ų2273.6 Ų73.615%0.14944%0.439CS..Iπ-helixtrans-59.6-56.2176.6-156.20000110F54 L55 N60 L62 L63 M90F54-C58 WeakPolarHBondContact O-CB 3.21Å; F54-C58 PolarHBondContact O-N 2.85Å; L55-C58 WeakPolarHBondContact O-CB 3.4Å; L55-C58 PolarHBondContact O-N 3.49Å; C58-N60 PolarHBondContact O-N 2.75Å; C58-L62 HydrophobicContact CB-CD1 4.49Å; C58-L62 WeakPolarHBondContact O-CA 3.37Å; C58-L62 VanDerWaalsContact O-CB 3.27Å; C58-L62 WeakPolarHBondContact O-CB 3.28Å; C58-L62 PolarHBondContact O-N 3.06Å; C58-L63 PolarHBondContact O-N 2.91Å; C58-L63 VanDerWaalsContact O-N 3.14Å; C58-M90 VanDerWaalsContact C-CE 3.42Å; C58-M90 HydrophobicContact CB-CE 4.31Å; C58-M90 WeakPolarHBondContact O-CE 3.34Å; C58-M90 VanDerWaalsContact SG-CE 3.58Å
59F71.4Confident70.2Confident94 Ų9475.9 Ų75.941%0.41244%0.438SS..Iπ-helixtrans-68.3-36.3-178.7-77.3-56.6000114.8L55 L63 M90L55-F59 HydrophobicContact CD1-CD2 4.08Å; L55-F59 HydrophobicContact CD1-CE2 3.63Å; L55-F59 HydrophobicContact CD2-CE2 4.23Å; L55-F59 HydrophobicContact CG-CD2 3.83Å; L55-F59 HydrophobicContact CG-CE2 3.75Å; L55-F59 WeakPolarHBondContact O-CD2 3.16Å; L55-F59 PolarHBondContact O-N 2.76Å; F59-L63 HydrophobicContact CD1-CD1 3.74Å; F59-L63 HydrophobicContact CE1-CD1 4.37Å; F59-L63 WeakPolarHBondContact O-CB 3.1Å; F59-M90 HydrophobicContact CD1-CE 4.16Å; F59-M90 HydrophobicContact CE1-CG 4.45Å
60N70.4Confident70.3Confident135 Ų13569.4 Ų69.472%0.72241%0.412SS*.Iπ-helixtrans-91.4-31.7-172.7-160.634.9000113.1A56 C58 P64A56-N60 WeakPolarHBondContact O-CB 3.17Å; A56-N60 PolarHBondContact O-N 3.47Å; C58-N60 PolarHBondContact O-N 2.75Å; N60-P64 WeakPolarHBondContact O-CD 2.99Å; N60-P64 WeakPolarHBondContact O-CG 3.39Å
61A73.5Confident70.4Confident54 Ų5470.1 Ų70.145%0.44642%0.415SS..Iπ-helixtrans-103.8-42.6-17800000112.8T57T57-A61 HydrophobicContact CG2-CB 4.3Å; T57-A61 WeakPolarHBondContact O-CA 3.34Å; T57-A61 VanDerWaalsContact O-CB 3.24Å; T57-A61 WeakPolarHBondContact O-CB 3.13Å; T57-A61 PolarHBondContact O-N 2.76Å
62L71.1Confident70.5Confident91 Ų9169.6 Ų69.648%0.47641%0.409SS..Iπ-helixtrans-80.9-35.8-177.7-61177000112.3T57 C58 A65 V66 M90T57-L62 PolarHBondContact O-N 2.89Å; C58-L62 HydrophobicContact CB-CD1 4.49Å; C58-L62 WeakPolarHBondContact O-CA 3.37Å; C58-L62 VanDerWaalsContact O-CB 3.27Å; C58-L62 WeakPolarHBondContact O-CB 3.28Å; C58-L62 PolarHBondContact O-N 3.06Å; L62-A65 PolarHBondContact O-N 3.33Å; L62-V66 WeakPolarHBondContact O-CB 3.25Å; L62-V66 WeakPolarHBondContact O-CG2 3.36Å; L62-V66 PolarHBondContact O-N 2.9Å; L62-M90 HydrophobicContact CB-CE 4.3Å
63L70.2Confident70.5Confident44 Ų4471.9 Ų71.923%0.2342%0.415CS..Hα-helixtrans-59.1-48.6179.4-157.8145.5000113.7C58 F59 V66 R67 M90C58-L63 PolarHBondContact O-N 2.91Å; C58-L63 VanDerWaalsContact O-N 3.14Å; F59-L63 HydrophobicContact CD1-CD1 3.74Å; F59-L63 HydrophobicContact CE1-CD1 4.37Å; F59-L63 WeakPolarHBondContact O-CB 3.1Å; L63-V66 PolarHBondContact O-N 2.87Å; L63-R67 HydrophobicContact CD2-CG 4.04Å; L63-R67 WeakPolarHBondContact O-CB 3.3Å; L63-R67 WeakPolarHBondContact O-CG 3.46Å; L63-R67 PolarHBondContact O-N 3.47Å; L63-M90 HydrophobicContact CB-CE 3.9Å; L63-M90 HydrophobicContact CB-SD 3.77Å; L63-M90 HydrophobicContact CD1-CE 4.25Å; L63-M90 HydrophobicContact CD1-CG 4.27Å; L63-M90 HydrophobicContact CD1-SD 3.87Å; L63-M90 HydrophobicContact CG-CE 4.42Å; L63-M90 HydrophobicContact CG-SD 3.81Å
64P69.1Low70.1Confident71 Ų7170.6 Ų70.646%0.46141%0.405SS..Hα-helixtrans-67.2-36.5176.624.8-33000112.4N60 R67 D68N60-P64 WeakPolarHBondContact O-CD 2.99Å; N60-P64 WeakPolarHBondContact O-CG 3.39Å; P64-R67 PolarHBondContact O-N 2.85Å; P64-D68 WeakPolarHBondContact O-CB 3.47Å; P64-D68 PolarHBondContact O-N 2.88Å
65A73.3Confident69.9Low50 Ų5073.4 Ų73.441%0.41342%0.42SS..Hα-helixtrans-65.7-42176.800000112.2L62 D68 K69L62-A65 PolarHBondContact O-N 3.33Å; A65-D68 PolarHBondContact O-N 3.34Å; A65-K69 WeakPolarHBondContact O-CG 3.45Å; A65-K69 PolarHBondContact O-N 3.45Å
66V70.3Confident69.4Low47 Ų4778.6 Ų78.629%0.28544%0.442SS..Hα-helixtrans-68.6-38.4176.5172.30000110.8L62 L63 K69 A70 A86L62-V66 WeakPolarHBondContact O-CB 3.25Å; L62-V66 WeakPolarHBondContact O-CG2 3.36Å; L62-V66 PolarHBondContact O-N 2.9Å; L63-V66 PolarHBondContact O-N 2.87Å; V66-K69 PolarHBondContact O-N 2.87Å; V66-A70 WeakPolarHBondContact O-CB 3.47Å; V66-A70 PolarHBondContact O-N 2.86Å; V66-A86 HydrophobicContact CG1-CB 4.31Å
67R69.3Low68.9Low89 Ų8981.7 Ų81.734%0.33645%0.45SS..Hα-helixtrans-59.7-45.2173.2-72-87.4-176.4-168.16.5111.5L63 P64 A71 A86 E87L63-R67 HydrophobicContact CD2-CG 4.04Å; L63-R67 WeakPolarHBondContact O-CB 3.3Å; L63-R67 WeakPolarHBondContact O-CG 3.46Å; L63-R67 PolarHBondContact O-N 3.47Å; P64-R67 PolarHBondContact O-N 2.85Å; R67-A71 WeakPolarHBondContact O-CB 3.41Å; R67-A71 PolarHBondContact O-N 3.47Å; R67-A86 VanDerWaalsContact CD-CB 3.48Å; R67-A86 HydrophobicContact CG-CB 3.91Å; R67-E87 IonicContact CZ-OE2 3.81Å; R67-E87 IonicContact NH1-OE2 3.9Å; R67-E87 IonicContact NH2-OE1 2.74Å; R67-E87 PolarHBondContact NH2-OE1 3.41Å; R67-E87 IonicContact NH2-OE2 3.49Å; R67-E87 PolarHBondContact NH2-OE2 3.37Å
68D72.8Confident67.8Low108 Ų10887 Ų8758%0.57847%0.469SS*.Hα-helixtrans-64.4-46.2179.2-168.8-92.1000112P64 A65 A71 G72P64-D68 WeakPolarHBondContact O-CB 3.47Å; P64-D68 PolarHBondContact O-N 2.88Å; A65-D68 PolarHBondContact O-N 3.34Å; D68-A71 PolarHBondContact O-N 2.65Å; D68-G72 PolarHBondContact O-N 2.93Å; D68-G72 VanDerWaalsContact O-N 3.09Å
69K70.3Confident67.1Low144 Ų14489.5 Ų89.563%0.62648%0.484SS*.Hα-helixtrans-69.4-38.8177-61.9-52.2173.7-153.90113.1A65 V66 A71 G72 V73A65-K69 WeakPolarHBondContact O-CG 3.45Å; A65-K69 PolarHBondContact O-N 3.45Å; V66-K69 PolarHBondContact O-N 2.87Å; K69-A71 VanDerWaalsContact C-N 3.35Å; K69-G72 PolarHBondContact O-N 3.13Å; K69-V73 WeakPolarHBondContact O-CG2 3.49Å; K69-V73 PolarHBondContact O-N 2.97Å
70A66.6Low66Low14 Ų1490.8 Ų90.812%0.11651%0.505CS..Hα-helixtrans-64.8-40176.200000111.4V66 V73 L74 A86V66-A70 WeakPolarHBondContact O-CB 3.47Å; V66-A70 PolarHBondContact O-N 2.86Å; A70-V73 PolarHBondContact O-N 2.81Å; A70-L74 WeakPolarHBondContact O-CB 3.4Å; A70-L74 PolarHBondContact O-N 3.45Å; A70-A86 HydrophobicContact CB-CB 4.21Å
71A66.9Low65Low53 Ų5387.5 Ų87.544%0.43849%0.492SS..Hα-helixtrans-63.1-42.4174.600000112R67 D68 K69 L74 Q75R67-A71 WeakPolarHBondContact O-CB 3.41Å; R67-A71 PolarHBondContact O-N 3.47Å; D68-A71 PolarHBondContact O-N 2.65Å; K69-A71 VanDerWaalsContact C-N 3.35Å; A71-L74 PolarHBondContact O-N 3.49Å; A71-Q75 PolarHBondContact O-N 2.94Å
72G66.6Low64.2Low30 Ų3093.2 Ų93.231%0.30952%0.516SS..Hα-helixtrans-62.7-42.3175.100000113.2D68 K69 Q75 Q76D68-G72 PolarHBondContact O-N 2.93Å; D68-G72 VanDerWaalsContact O-N 3.09Å; K69-G72 PolarHBondContact O-N 3.13Å; G72-Q75 PolarHBondContact O-N 2.86Å; G72-Q76 WeakPolarHBondContact O-CG 3.41Å; G72-Q76 PolarHBondContact O-N 3.5Å; G72-Q76 VanDerWaalsContact O-N 3.12Å
73V67.9Low63.4Low88 Ų8896.2 Ų96.253%0.53352%0.522SS..Hα-helixtrans-68.9-40.3177.1173.80000111.5K69 A70 Q75 Q76 L77K69-V73 WeakPolarHBondContact O-CG2 3.49Å; K69-V73 PolarHBondContact O-N 2.97Å; A70-V73 PolarHBondContact O-N 2.81Å; V73-Q75 VanDerWaalsContact C-N 3.35Å; V73-Q75 PolarHBondContact O-N 3.49Å; V73-Q76 PolarHBondContact O-N 3.47Å; V73-L77 WeakPolarHBondContact O-CB 3.37Å; V73-L77 PolarHBondContact O-N 2.96Å
74L64.7Low63.2Low45 Ų4597 Ų9724%0.23653%0.529CS..Hα-helixtrans-62.6-39.4175.3-99.4153.9000112.3A70 A71 L77 Q78 V79 L85A70-L74 WeakPolarHBondContact O-CB 3.4Å; A70-L74 PolarHBondContact O-N 3.45Å; A71-L74 PolarHBondContact O-N 3.49Å; L74-L77 PolarHBondContact O-N 3.37Å; L74-Q78 PolarHBondContact O-N 2.79Å; L74-V79 VanDerWaalsContact CD2-O 3.23Å; L74-V79 WeakPolarHBondContact CD2-O 3.39Å; L74-L85 HydrophobicContact CD1-CD2 4.41Å
75Q63.1Low63Low165 Ų16597.2 Ų97.277%0.77153%0.526SS*.Hα-helixtrans-63.4-41173-96-175.2-28.100112.4A71 G72 V73 L77A71-Q75 PolarHBondContact O-N 2.94Å; G72-Q75 PolarHBondContact O-N 2.86Å; V73-Q75 VanDerWaalsContact C-N 3.35Å; V73-Q75 PolarHBondContact O-N 3.49Å; Q75-L77 VanDerWaalsContact C-N 3.28Å; Q75-L77 PolarHBondContact O-N 3Å
76Q62.4Low62.6Low172 Ų17295.1 Ų95.180%0.80451%0.509SS*.Hα-helixtrans-69.4-26.2177-72.5-168.7-73.600113.2G72 V73G72-Q76 WeakPolarHBondContact O-CG 3.41Å; G72-Q76 PolarHBondContact O-N 3.5Å; G72-Q76 VanDerWaalsContact O-N 3.12Å; V73-Q76 PolarHBondContact O-N 3.47Å
77L62.3Low62.6Low122 Ų12297.5 Ų97.564%0.63952%0.517SS*.THydrogen-bonded Turntrans-87.9-3.2-177.3-144.268000113.8V73 L74 Q75 V79V73-L77 WeakPolarHBondContact O-CB 3.37Å; V73-L77 PolarHBondContact O-N 2.96Å; L74-L77 PolarHBondContact O-N 3.37Å; Q75-L77 VanDerWaalsContact C-N 3.28Å; Q75-L77 PolarHBondContact O-N 3Å; L77-V79 WeakPolarHBondContact O-CG2 3.14Å; L77-V79 PolarHBondContact O-N 3.32Å
78Q54Low62.7Low188 Ų18896 Ų9688%0.87952%0.518SS*.THydrogen-bonded Turntrans54.419.2179.7-96.9-157.5-93.100115.5L74L74-Q78 PolarHBondContact O-N 2.79Å
79V54Low62.7Low76 Ų7696.3 Ų96.346%0.46152%0.517SS..  trans-100.9110.1176.8179.90000108.6L74 L77 S81L74-V79 VanDerWaalsContact CD2-O 3.23Å; L74-V79 WeakPolarHBondContact CD2-O 3.39Å; L77-V79 WeakPolarHBondContact O-CG2 3.14Å; L77-V79 PolarHBondContact O-N 3.32Å; V79-S81 PolarHBondContact O-N 2.93Å
80S47.9Very low62.8Low121 Ų12190.4 Ų90.485%0.84649%0.492SS*.  trans-7372.4169.3640000109.9
81S49.4Very low63.1Low65 Ų6595 Ų9546%0.45551%0.512SS..  trans-93.4106.4168.4-880000108.8V79 Y83V79-S81 PolarHBondContact O-N 2.93Å; S81-Y83 PolarHBondContact O-N 3.31Å
82D55.4Low63.6Low175 Ų17596.4 Ų96.494%0.93652%0.516SS*.  trans-62.231.6162.5-88.3-58.1000112.3
83Y55.5Low64Low154 Ų15496.9 Ų96.960%0.60452%0.52SS*.SBendtrans-102.9131.2-174-152.2-98000109.5S81 L85 T88S81-Y83 PolarHBondContact O-N 3.31Å; Y83-L85 PolarHBondContact O-N 2.79Å; Y83-T88 HydrophobicContact CE1-CG2 4.24Å
84P65.1Low64.3Low60 Ų6096.2 Ų96.239%0.3951%0.511SS..  trans-73.659.8179.831.2-35.3000111.8A86 E87 T88P84-A86 PolarHBondContact O-N 3.37Å; P84-E87 HydrophobicContact CB-CB 4.24Å; P84-E87 WeakPolarHBondContact O-CB 3.24Å; P84-E87 PolarHBondContact O-N 2.94Å; P84-T88 PolarHBondContact O-N 3.49Å
85L64.6Low64.7Low75 Ų75101.1 Ų101.139%0.39353%0.53SS..Hα-helixtrans-54.9-40.3-176.2-169.980.4000111.8L74 Y83 E87 T88 M89L74-L85 HydrophobicContact CD1-CD2 4.41Å; Y83-L85 PolarHBondContact O-N 2.79Å; L85-E87 VanDerWaalsContact C-N 3.27Å; L85-E87 PolarHBondContact O-N 2.93Å; L85-T88 WeakPolarHBondContact CA-OG1 3.39Å; L85-T88 PolarHBondContact O-N 3.13Å; L85-T88 PolarHBondContact O-OG1 3.39Å; L85-M89 PolarHBondContact O-N 3.5Å
86A66.4Low65.2Low7 Ų797.9 Ų97.96%0.05852%0.517CS..Hα-helixtrans-59.6-36.9178.200000112.7V66 R67 A70 P84 M90V66-A86 HydrophobicContact CG1-CB 4.31Å; R67-A86 VanDerWaalsContact CD-CB 3.48Å; R67-A86 HydrophobicContact CG-CB 3.91Å; A70-A86 HydrophobicContact CB-CB 4.21Å; P84-A86 PolarHBondContact O-N 3.37Å; A86-M90 WeakPolarHBondContact O-CB 3.49Å; A86-M90 PolarHBondContact O-N 3.26Å
87E69.3Low65.7Low96 Ų9694.4 Ų94.445%0.44950%0.502SS..Hα-helixtrans-72.4-39.4179.3-133.8155-173.100111.1R67 P84 L85 M90 M91R67-E87 IonicContact CZ-OE2 3.81Å; R67-E87 IonicContact NH1-OE2 3.9Å; R67-E87 IonicContact NH2-OE1 2.74Å; R67-E87 PolarHBondContact NH2-OE1 3.41Å; R67-E87 IonicContact NH2-OE2 3.49Å; R67-E87 PolarHBondContact NH2-OE2 3.37Å; P84-E87 HydrophobicContact CB-CB 4.24Å; P84-E87 WeakPolarHBondContact O-CB 3.24Å; P84-E87 PolarHBondContact O-N 2.94Å; L85-E87 VanDerWaalsContact C-N 3.27Å; L85-E87 PolarHBondContact O-N 2.93Å; E87-M90 WeakPolarHBondContact O-CB 3.43Å; E87-M90 PolarHBondContact O-N 2.91Å; E87-M91 WeakPolarHBondContact O-CG 3.4Å; E87-M91 PolarHBondContact O-N 3.34Å
88T71.9Confident66.1Low58 Ų5891.9 Ų91.936%0.35649%0.489SS..Hα-helixtrans-67.1-41.617457.50000112.5Y83 P84 L85 M90 M91 V92Y83-T88 HydrophobicContact CE1-CG2 4.24Å; P84-T88 PolarHBondContact O-N 3.49Å; L85-T88 WeakPolarHBondContact CA-OG1 3.39Å; L85-T88 PolarHBondContact O-N 3.13Å; L85-T88 PolarHBondContact O-OG1 3.39Å; T88-M90 VanDerWaalsContact C-N 3.28Å; T88-M90 PolarHBondContact O-N 3.1Å; T88-M91 PolarHBondContact O-N 3.41Å; T88-V92 WeakPolarHBondContact O-CB 3.17Å; T88-V92 VanDerWaalsContact O-CG2 3.25Å; T88-V92 WeakPolarHBondContact O-CG2 3.36Å; T88-V92 PolarHBondContact O-N 3.19Å
89M71.6Confident67Low114 Ų11489.4 Ų89.456%0.56248%0.476SS*.Hα-helixtrans-63.4-36.2174.3-78.4-170.174.500111.8L85 G93L85-M89 PolarHBondContact O-N 3.5Å; M89-G93 PolarHBondContact O-N 2.95Å
90M74.1Confident67.9Low21 Ų2189.6 Ų89.610%0.10348%0.476CS..Hα-helixtrans-61.1-49.9174.2-159.296.4-167.800111.3C58 F59 L62 L63 A86 E87 T88 G93 F94C58-M90 VanDerWaalsContact C-CE 3.42Å; C58-M90 HydrophobicContact CB-CE 4.31Å; C58-M90 WeakPolarHBondContact O-CE 3.34Å; C58-M90 VanDerWaalsContact SG-CE 3.58Å; F59-M90 HydrophobicContact CD1-CE 4.16Å; F59-M90 HydrophobicContact CE1-CG 4.45Å; L62-M90 HydrophobicContact CB-CE 4.3Å; L63-M90 HydrophobicContact CB-CE 3.9Å; L63-M90 HydrophobicContact CB-SD 3.77Å; L63-M90 HydrophobicContact CD1-CE 4.25Å; L63-M90 HydrophobicContact CD1-CG 4.27Å; L63-M90 HydrophobicContact CD1-SD 3.87Å; L63-M90 HydrophobicContact CG-CE 4.42Å; L63-M90 HydrophobicContact CG-SD 3.81Å; A86-M90 WeakPolarHBondContact O-CB 3.49Å; A86-M90 PolarHBondContact O-N 3.26Å; E87-M90 WeakPolarHBondContact O-CB 3.43Å; E87-M90 PolarHBondContact O-N 2.91Å; T88-M90 VanDerWaalsContact C-N 3.28Å; T88-M90 PolarHBondContact O-N 3.1Å; M90-G93 PolarHBondContact O-N 2.98Å; M90-F94 WeakPolarHBondContact O-CB 3.34Å; M90-F94 PolarHBondContact O-N 3.42Å
91M72.6Confident68.7Low109 Ų10987.3 Ų87.354%0.53745%0.452SS..Hα-helixtrans-65-40.9179.9-72.4-65158.800112E87 T88 F94 F95E87-M91 WeakPolarHBondContact O-CG 3.4Å; E87-M91 PolarHBondContact O-N 3.34Å; T88-M91 PolarHBondContact O-N 3.41Å; M91-F94 PolarHBondContact O-N 3.29Å; M91-F95 WeakPolarHBondContact O-CB 3.29Å; M91-F95 PolarHBondContact O-N 3.33Å
92V76.3Confident69.4Low84 Ų8487.9 Ų87.951%0.50945%0.448SS..Hα-helixtrans-64.6-45.5175.5170.80000111T88 F94 F95 I96T88-V92 WeakPolarHBondContact O-CB 3.17Å; T88-V92 VanDerWaalsContact O-CG2 3.25Å; T88-V92 WeakPolarHBondContact O-CG2 3.36Å; T88-V92 PolarHBondContact O-N 3.19Å; V92-F94 VanDerWaalsContact C-N 3.33Å; V92-F94 PolarHBondContact O-N 3.49Å; V92-F95 PolarHBondContact O-N 2.97Å; V92-I96 HydrophobicContact CG1-CD1 3.69Å; V92-I96 HydrophobicContact CG1-CG1 4.33Å; V92-I96 WeakPolarHBondContact O-CB 3.48Å; V92-I96 VanDerWaalsContact O-CG1 3.28Å; V92-I96 WeakPolarHBondContact O-CG1 3.44Å; V92-I96 PolarHBondContact O-N 2.88Å
93G75Confident70.2Confident40 Ų4080.6 Ų80.641%0.41241%0.412SS..Hα-helixtrans-61-41.817700000112.5M89 M90 M97M89-G93 PolarHBondContact O-N 2.95Å; M90-G93 PolarHBondContact O-N 2.98Å; G93-M97 WeakPolarHBondContact O-CB 3.25Å; G93-M97 PolarHBondContact O-N 3.41Å
94F73.7Confident70.9Confident74 Ų7475.9 Ų75.933%0.32540%0.399SS..Hα-helixtrans-63.3-44.9174.3-175.9-108.2000111.9L55 M90 M91 V92 I96 M97 L98L55-F94 HydrophobicContact CD1-CD2 4.21Å; L55-F94 HydrophobicContact CD1-CE2 3.56Å; L55-F94 HydrophobicContact CD1-CZ 4.09Å; M90-F94 WeakPolarHBondContact O-CB 3.34Å; M90-F94 PolarHBondContact O-N 3.42Å; M91-F94 PolarHBondContact O-N 3.29Å; V92-F94 VanDerWaalsContact C-N 3.33Å; V92-F94 PolarHBondContact O-N 3.49Å; F94-I96 PolarHBondContact O-N 2.83Å; F94-M97 WeakPolarHBondContact O-CB 3.47Å; F94-M97 PolarHBondContact O-N 3.34Å; F94-L98 HydrophobicContact CD1-CD1 3.93Å; F94-L98 HydrophobicContact CE1-CD1 3.37Å; F94-L98 HydrophobicContact CE1-CG 4.18Å; F94-L98 HydrophobicContact CE2-CD1 4.43Å; F94-L98 HydrophobicContact CE2-CG 4.47Å; F94-L98 HydrophobicContact CZ-CD1 3.67Å; F94-L98 HydrophobicContact CZ-CD2 4.39Å; F94-L98 HydrophobicContact CZ-CG 4.16Å; F94-L98 WeakPolarHBondContact O-CG 3.37Å; F94-L98 PolarHBondContact O-N 2.92Å
95F74.4Confident70.7Confident147 Ų14774.4 Ų74.465%0.64539%0.388SS*.Hα-helixtrans-65.6-39.7179.4-156.7-92.2000112.4M91 V92 L98 F99M91-F95 WeakPolarHBondContact O-CB 3.29Å; M91-F95 PolarHBondContact O-N 3.33Å; V92-F95 PolarHBondContact O-N 2.97Å; F95-L98 PolarHBondContact O-N 3.47Å; F95-F99 VanDerWaalsContact O-CB 3.23Å; F95-F99 WeakPolarHBondContact O-CB 3.2Å; F95-F99 PolarHBondContact O-N 3.44Å
96I72.3Confident70.9Confident98 Ų9875.7 Ų75.750%0.50340%0.399SS..Hα-helixtrans-64.8-43.5175.1-69.4170.4000110.7V92 F94 L98 F99 V100V92-I96 HydrophobicContact CG1-CD1 3.69Å; V92-I96 HydrophobicContact CG1-CG1 4.33Å; V92-I96 WeakPolarHBondContact O-CB 3.48Å; V92-I96 VanDerWaalsContact O-CG1 3.28Å; V92-I96 WeakPolarHBondContact O-CG1 3.44Å; V92-I96 PolarHBondContact O-N 2.88Å; F94-I96 PolarHBondContact O-N 2.83Å; I96-L98 VanDerWaalsContact C-N 3.34Å; I96-L98 PolarHBondContact O-N 3.43Å; I96-F99 PolarHBondContact O-N 2.9Å; I96-V100 HydrophobicContact CG2-CG2 4.37Å; I96-V100 WeakPolarHBondContact O-CG2 3.35Å; I96-V100 PolarHBondContact O-N 2.84Å
97M74.6Confident71Confident99 Ų9983.9 Ų83.949%0.48843%0.434SS..Hα-helixtrans-57.3-48.8176-172.781.6-172.800110.9F54 G93 F94 V100 E101F54-M97 HydrophobicContact CE1-CE 4.44Å; F54-M97 HydrophobicContact CE1-CG 4.38Å; F54-M97 HydrophobicContact CE2-CE 4.47Å; F54-M97 HydrophobicContact CZ-CE 3.88Å; F54-M97 HydrophobicContact CZ-CG 4.34Å; F54-M97 HydrophobicContact CZ-SD 4.26Å; G93-M97 WeakPolarHBondContact O-CB 3.25Å; G93-M97 PolarHBondContact O-N 3.41Å; F94-M97 WeakPolarHBondContact O-CB 3.47Å; F94-M97 PolarHBondContact O-N 3.34Å; M97-V100 PolarHBondContact O-N 3.48Å; M97-E101 WeakPolarHBondContact O-CB 3.39Å; M97-E101 PolarHBondContact O-N 3.42Å; M97-E101 VanDerWaalsContact O-N 3.08Å
98L70.3Confident70.7Confident68 Ų6884 Ų8436%0.35643%0.43SS..Hα-helixtrans-64.5-40.2176.3-68.2-177000112.2F94 F95 I96 E101 Q102F94-L98 HydrophobicContact CD1-CD1 3.93Å; F94-L98 HydrophobicContact CE1-CD1 3.37Å; F94-L98 HydrophobicContact CE1-CG 4.18Å; F94-L98 HydrophobicContact CE2-CD1 4.43Å; F94-L98 HydrophobicContact CE2-CG 4.47Å; F94-L98 HydrophobicContact CZ-CD1 3.67Å; F94-L98 HydrophobicContact CZ-CD2 4.39Å; F94-L98 HydrophobicContact CZ-CG 4.16Å; F94-L98 WeakPolarHBondContact O-CG 3.37Å; F94-L98 PolarHBondContact O-N 2.92Å; F95-L98 PolarHBondContact O-N 3.47Å; I96-L98 VanDerWaalsContact C-N 3.34Å; I96-L98 PolarHBondContact O-N 3.43Å; L98-E101 PolarHBondContact O-N 2.94Å; L98-Q102 VanDerWaalsContact O-CG 3.28Å; L98-Q102 WeakPolarHBondContact O-CG 3.27Å; L98-Q102 PolarHBondContact O-N 3.48Å
99F73.6Confident69.6Low137 Ų13790.6 Ų90.660%0.60145%0.454SS*.Hα-helixtrans-62.9-45.3179179-99000111.7F95 I96 E101 Q102 A103F95-F99 VanDerWaalsContact O-CB 3.23Å; F95-F99 WeakPolarHBondContact O-CB 3.2Å; F95-F99 PolarHBondContact O-N 3.44Å; I96-F99 PolarHBondContact O-N 2.9Å; F99-E101 VanDerWaalsContact C-N 3.3Å; F99-E101 PolarHBondContact O-N 3.25Å; F99-Q102 PolarHBondContact O-N 3.45Å; F99-A103 WeakPolarHBondContact O-CB 2.98Å; F99-A103 PolarHBondContact O-N 2.91Å
100V71.6Confident68.5Low79 Ų7988.5 Ų88.548%0.47944%0.443SS..Hα-helixtrans-62.6-41.3176.1172.40000110.5I96 M97 A103 V104I96-V100 HydrophobicContact CG2-CG2 4.37Å; I96-V100 WeakPolarHBondContact O-CG2 3.35Å; I96-V100 PolarHBondContact O-N 2.84Å; M97-V100 PolarHBondContact O-N 3.48Å; V100-A103 PolarHBondContact O-N 2.92Å; V100-V104 HydrophobicContact CG1-CG2 4.41Å; V100-V104 WeakPolarHBondContact O-CB 3.41Å; V100-V104 VanDerWaalsContact O-CG2 3.26Å; V100-V104 WeakPolarHBondContact O-CG2 3.44Å; V100-V104 PolarHBondContact O-N 3.49Å
101E65.9Low67.1Low73 Ų7396.7 Ų96.734%0.34148%0.478SS..Hα-helixtrans-62.4-48.2177.7-178.7145.9-136.800112.3M97 L98 F99 V104 L105 R159M97-E101 WeakPolarHBondContact O-CB 3.39Å; M97-E101 PolarHBondContact O-N 3.42Å; M97-E101 VanDerWaalsContact O-N 3.08Å; L98-E101 PolarHBondContact O-N 2.94Å; F99-E101 VanDerWaalsContact C-N 3.3Å; F99-E101 PolarHBondContact O-N 3.25Å; E101-V104 PolarHBondContact O-N 2.84Å; E101-L105 HydrophobicContact CG-CD1 4.47Å; E101-L105 WeakPolarHBondContact O-CG 3.22Å; E101-L105 PolarHBondContact O-N 2.77Å; E101-L105 VanDerWaalsContact O-N 3.15Å; E101-R159 IonicContact OE1-CZ 2.83Å; E101-R159 IonicContact OE1-NH1 2.75Å; E101-R159 PolarHBondContact OE1-NH1 3.33Å; E101-R159 IonicContact OE1-NH2 3.13Å
102Q63.3Low65.6Low77 Ų7795.4 Ų95.436%0.3648%0.478SS..Hα-helixtrans-67.6-35.7177.4-63.6-59.9-1100112.3L98 F99 L105 T106L98-Q102 VanDerWaalsContact O-CG 3.28Å; L98-Q102 WeakPolarHBondContact O-CG 3.27Å; L98-Q102 PolarHBondContact O-N 3.48Å; F99-Q102 PolarHBondContact O-N 3.45Å; Q102-L105 PolarHBondContact O-N 3.46Å; Q102-T106 WeakPolarHBondContact O-CB 3.09Å; Q102-T106 PolarHBondContact O-N 2.91Å; Q102-T106 PolarHBondContact O-OG1 3.44Å
103A71.3Confident64.2Low23 Ų2395.9 Ų95.919%0.1948%0.484CS..Hα-helixtrans-62.8-48.7175.300000110.8F99 V100 L105 T106 F107F99-A103 WeakPolarHBondContact O-CB 2.98Å; F99-A103 PolarHBondContact O-N 2.91Å; V100-A103 PolarHBondContact O-N 2.92Å; A103-L105 VanDerWaalsContact C-N 3.31Å; A103-L105 PolarHBondContact O-N 2.96Å; A103-T106 PolarHBondContact O-N 3.44Å; A103-T106 VanDerWaalsContact O-N 3.16Å; A103-F107 HydrophobicContact CB-CD2 4.26Å; A103-F107 HydrophobicContact CB-CE2 4.15Å; A103-F107 WeakPolarHBondContact O-CD2 3.3Å; A103-F107 PolarHBondContact O-N 2.86Å
104V70.4Confident62.7Low55 Ų55100.7 Ų100.733%0.33349%0.494SS..Hα-helixtrans-59.4-41.3178.41690000111.5V100 E101 R108V100-V104 HydrophobicContact CG1-CG2 4.41Å; V100-V104 WeakPolarHBondContact O-CB 3.41Å; V100-V104 VanDerWaalsContact O-CG2 3.26Å; V100-V104 WeakPolarHBondContact O-CG2 3.44Å; V100-V104 PolarHBondContact O-N 3.49Å; E101-V104 PolarHBondContact O-N 2.84Å; V104-R108 WeakPolarHBondContact O-CB 3.33Å; V104-R108 WeakPolarHBondContact O-CD 3.48Å; V104-R108 WeakPolarHBondContact O-CG 3.25Å; V104-R108 PolarHBondContact O-N 3.39Å; V104-R108 VanDerWaalsContact O-N 3.14Å
105L62.1Low61.5Low28 Ų28103.4 Ų103.415%0.14751%0.511CS..Hα-helixtrans-65.5-43.6176.2-68.3171.2000111.6E101 Q102 A103 R108E101-L105 HydrophobicContact CG-CD1 4.47Å; E101-L105 WeakPolarHBondContact O-CG 3.22Å; E101-L105 PolarHBondContact O-N 2.77Å; E101-L105 VanDerWaalsContact O-N 3.15Å; Q102-L105 PolarHBondContact O-N 3.46Å; A103-L105 VanDerWaalsContact C-N 3.31Å; A103-L105 PolarHBondContact O-N 2.96Å; L105-R108 PolarHBondContact O-N 3.39Å
106T68.8Low60Low102 Ų10298.6 Ų98.663%0.62650%0.498SS*.Hα-helixtrans-64.2-42.9179.1-56.60000112.1Q102 A103 R108 K109Q102-T106 WeakPolarHBondContact O-CB 3.09Å; Q102-T106 PolarHBondContact O-N 2.91Å; Q102-T106 PolarHBondContact O-OG1 3.44Å; A103-T106 PolarHBondContact O-N 3.44Å; A103-T106 VanDerWaalsContact O-N 3.16Å; T106-R108 VanDerWaalsContact C-N 3.32Å; T106-R108 PolarHBondContact O-N 2.89Å; T106-K109 PolarHBondContact O-N 3.39Å
107F68Low58.6Low180 Ų180100.5 Ų100.579%0.78951%0.509SS*.Hα-helixtrans-69.7-28.5178.2-76.3-64.2000113.1A103 K109A103-F107 HydrophobicContact CB-CD2 4.26Å; A103-F107 HydrophobicContact CB-CE2 4.15Å; A103-F107 WeakPolarHBondContact O-CD2 3.3Å; A103-F107 PolarHBondContact O-N 2.86Å; F107-K109 PolarHBondContact O-N 2.91Å
108R62.3Low57.3Low97 Ų97104 Ų10437%0.36652%0.524SS..THydrogen-bonded Turntrans-74.7-2.9178.5-77.317360.4142.52114.1V104 L105 T106 E110V104-R108 WeakPolarHBondContact O-CB 3.33Å; V104-R108 WeakPolarHBondContact O-CD 3.48Å; V104-R108 WeakPolarHBondContact O-CG 3.25Å; V104-R108 PolarHBondContact O-N 3.39Å; V104-R108 VanDerWaalsContact O-N 3.14Å; L105-R108 PolarHBondContact O-N 3.39Å; T106-R108 VanDerWaalsContact C-N 3.32Å; T106-R108 PolarHBondContact O-N 2.89Å; R108-E110 IonicContact CZ-OE2 2.76Å; R108-E110 IonicContact NE-OE2 3.97Å; R108-E110 PolarHBondContact NE-OE2 3.02Å; R108-E110 IonicContact NH2-OE1 3.79Å; R108-E110 IonicContact NH2-OE2 3.86Å; R108-E110 PolarHBondContact NH2-OE2 3.05Å; R108-E110 PolarHBondContact O-N 3.48Å
109K49.8Very low56Low197 Ų197104.4 Ų104.486%0.85753%0.529SS*.THydrogen-bonded Turntrans52.714.9-172.4-91-170.8171.579.70113.2T106 F107 K111T106-K109 PolarHBondContact O-N 3.39Å; F107-K109 PolarHBondContact O-N 2.91Å; K109-K111 PolarHBondContact O-N 2.86Å
110E49.1Very low54.4Low70 Ų70107.2 Ų107.233%0.32754%0.542SS..  trans-78.3122.1165.5-81.1173.3113.600105.6R108R108-E110 IonicContact CZ-OE2 2.76Å; R108-E110 IonicContact NE-OE2 3.97Å; R108-E110 PolarHBondContact NE-OE2 3.02Å; R108-E110 IonicContact NH2-OE1 3.79Å; R108-E110 IonicContact NH2-OE2 3.86Å; R108-E110 PolarHBondContact NH2-OE2 3.05Å; R108-E110 PolarHBondContact O-N 3.48Å
111K44.6Very low53.1Low194 Ų194110.5 Ų110.584%0.84356%0.557SS**  trans-45.7130.8173.5-64.1175.8-179.7177.70107.4K109 S113K109-K111 PolarHBondContact O-N 2.86Å; K111-S113 PolarHBondContact O-N 2.98Å
112P40.2Very low51.9Low82 Ų82112.8 Ų112.853%0.53258%0.576SS.*  trans-54.4122.2-17622.8-32.2000107.6F114P112-F114 HydrophobicContact CB-CB 4.41Å; P112-F114 PolarHBondContact O-N 3.38Å
113S47.3Very low50.8Low93 Ų93112.8 Ų112.865%0.6560%0.596SS**  trans-72.45516959.90000108.4K111 I115K111-S113 PolarHBondContact O-N 2.98Å; S113-I115 PolarHBondContact O-N 2.87Å
114F43.8Very low49.2Very low141 Ų141114.8 Ų114.862%0.61862%0.62SS**  trans-78.577.2174-168.2-93.6000106.5P112P112-F114 HydrophobicContact CB-CB 4.41Å; P112-F114 PolarHBondContact O-N 3.38Å
115I48.4Very low47.4Very low131 Ų131118.2 Ų118.267%0.67265%0.646SS**SBendtrans67.3135.9176.9-51.3171.2000110.1S113 L117S113-I115 PolarHBondContact O-N 2.87Å; I115-L117 PolarHBondContact O-N 2.86Å
116A43.3Very low46.3Very low47 Ų47126 Ų12639%0.38868%0.681SS.*  trans-65.373.7170.800000109.8E118 T119A116-E118 PolarHBondContact O-N 3.01Å; A116-T119 WeakPolarHBondContact CB-OG1 3.43Å; A116-T119 WeakPolarHBondContact O-CB 3.15Å; A116-T119 PolarHBondContact O-N 2.91Å; A116-T119 PolarHBondContact O-OG1 2.85Å
117L42.9Very low45.2Very low138 Ų138127.1 Ų127.172%0.72369%0.69SS**G310 helixtrans-66.7-12.3175.2-159.4131.2000110.7I115 T119I115-L117 PolarHBondContact O-N 2.86Å; L117-T119 VanDerWaalsContact C-N 3.29Å
118E45.8Very low43.6Very low172 Ų172122.2 Ų122.280%0.80469%0.691SS**G310 helixtrans-76.1-12.3169.3-53.2-153.3129.300113.5A116 T122A116-E118 PolarHBondContact O-N 3.01Å; E118-T122 PolarHBondContact O-OG1 3.36Å
119T43.3Very low42.3Very low77 Ų77123.1 Ų123.147%0.47271%0.712SS.*G310 helixtrans-79.8-15.9174.2-560000112.7H40 A116 L117H40-T119 PolarHBondContact CE1-OG1 3.38Å; A116-T119 WeakPolarHBondContact CB-OG1 3.43Å; A116-T119 WeakPolarHBondContact O-CB 3.15Å; A116-T119 PolarHBondContact O-N 2.91Å; A116-T119 PolarHBondContact O-OG1 2.85Å; L117-T119 VanDerWaalsContact C-N 3.29Å
120F41.4Very low41.9Very low195 Ų195121.2 Ų121.286%0.85571%0.712SS**SBendtrans-95.9-10.9177.9-128.2-87.4000114.1
121N44.3Very low41.4Very low149 Ų149123.4 Ų123.480%0.79774%0.735SS**SBendtrans-100.411.2177-157.629.2000114
122T39.5Very low40.9Very low120 Ų120122.9 Ų122.974%0.73674%0.735SS**SBendtrans-118.416.1175.845.20000112.8E118E118-T122 PolarHBondContact O-OG1 3.36Å
123G41.5Very low40.5Very low77 Ų77130.1 Ų130.179%0.79475%0.753SS**  trans-103.486.5171.200000111.4
124G36.8Very low39.8Very low66 Ų66132.9 Ų132.968%0.6876%0.761SS**SBendtrans148.2107159.700000115.5
125S32.4Very low39.4Very low127 Ų127130.4 Ų130.489%0.88877%0.766SS**  trans106.494.1154-37.20000116.5
126E39.9Very low39.1Very low190 Ų190129.6 Ų129.689%0.88877%0.77SS**  trans-108.6159.7136.7-53.4-168.310000106.3
127P44.2Very low38.3Very low126 Ų126136.6 Ų136.682%0.81879%0.792SS**  cis-133.1159.9-2.337.2-18.8000114.8
128G35.5Very low37.9Very low78 Ų78137.1 Ų137.180%0.80479%0.794SS**  trans83.4114.3153.900000118.1
129S35Very low37Very low116 Ų116132.4 Ų132.481%0.81179%0.792SS**  -174.9133.4129.7-159.60000110.3
130D40Very low36.4Very low157 Ų157133 Ų13384%0.8481%0.814SS**  trans-75.4127.8-172.9-29.9-51.5000109.4
131S38.6Very low35.8Very low116 Ų116127.2 Ų127.281%0.81181%0.809SS**  trans-158105.8153.6480000110.2
132E34.5Very low35.4Very low182 Ų182129 Ų12985%0.8581%0.812SS**  trans-52.5128.2155.9-80.5157.85300109.6
133Y33.3Very low35Very low234 Ų234134.7 Ų134.792%0.91882%0.82SS**  trans-155.399.7138.3-112.2-81.2000108
134D32.5Very low34.7Very low152 Ų152139.1 Ų139.181%0.81382%0.82SS**  trans-48.8143.9161.5-88.9-64.9000111.3
135A34Very low34.6Very low88 Ų88138.9 Ų138.973%0.72782%0.817SS**  173.8171.6110.500000110.5
136P42.6Very low34.7Very low115 Ų115141.7 Ų141.775%0.74782%0.816SS**  -142.7123-100.132-8.2000113
137F26.7Very low34.6Very low193 Ų193141.7 Ų141.785%0.84681%0.813SS**  trans-153.6104.9162.8-151.8-107.3000112.3
138L33.4Very low34.1Very low149 Ų149137.9 Ų137.978%0.7880%0.797SS**  trans41.8109.5150.2-71.3141.5000116.3
139G27.9Very low34.5Very low73 Ų73139.1 Ų139.175%0.75379%0.791SS**  cis140.5125.827.400000107.4
140G31.4Very low34.8Very low90 Ų90136.4 Ų136.493%0.92878%0.781SS**  trans62.6102.8151.500000119
141G27.4Very low34.9Very low73 Ų73135.9 Ų135.975%0.75377%0.773SS**  trans177.567.3161.800000114.6R143G141-R143 PolarHBondContact O-N 3.5Å
142H37.4Very low35.2Very low188 Ų188137.1 Ų137.187%0.8777%0.77SS**  trans-57.3103.4162-109.7-38.1000109.3
143R29.9Very low35.6Very low239 Ų239131.7 Ų131.790%0.90276%0.756SS**  trans-11799.8162.1-106.8-177.6174.4-164.5-1.1108.1G141 G145G141-R143 PolarHBondContact O-N 3.5Å; R143-G145 VanDerWaalsContact C-N 3.28Å; R143-G145 PolarHBondContact O-N 2.86Å
144H35.9Very low36Very low170 Ų170122.3 Ų122.379%0.78773%0.73SS**  trans-60.694.1159.8-90.1-88.3000108.4H146H144-H146 VanDerWaalsContact C-N 3.3Å; H144-H146 PolarHBondContact O-N 3.31Å
145G34.3Very low36.7Very low61 Ų61117 Ų11763%0.62971%0.707SS**  trans-74.886.2167.300000108.9R143 F147R143-G145 VanDerWaalsContact C-N 3.28Å; R143-G145 PolarHBondContact O-N 2.86Å; G145-F147 PolarHBondContact O-N 3.07Å
146H35.1Very low37.9Very low185 Ų185114.5 Ų114.586%0.85669%0.691SS**  trans-62.191.8164.2-135.7-79.7000107H144 G148H144-H146 VanDerWaalsContact C-N 3.3Å; H144-H146 PolarHBondContact O-N 3.31Å; H146-G148 VanDerWaalsContact C-N 3.33Å; H146-G148 PolarHBondContact O-N 3.3Å
147F37.8Very low38.5Very low191 Ų191112.5 Ų112.584%0.83868%0.678SS**  trans-6895.1175.6-107-93.7000107.7G145G145-F147 PolarHBondContact O-N 3.07Å
148G33.9Very low39.7Very low45 Ų45109.3 Ų109.346%0.46467%0.669SS.*  trans-61.3139.8177.800000111.1H146 G150H146-G148 VanDerWaalsContact C-N 3.33Å; H146-G148 PolarHBondContact O-N 3.3Å; G148-G150 PolarHBondContact O-N 3.25Å
149P42.8Very low40.7Very low105 Ų105107.3 Ų107.368%0.68265%0.651SS**THydrogen-bonded Turntrans-60.72.5175.8-21.631.7000115.7
150G41Very low42Very low59 Ų59105.7 Ų105.761%0.60863%0.625SS**THydrogen-bonded Turntrans-80.5-13.5-171.700000116G148G148-G150 PolarHBondContact O-N 3.25Å
151H42.3Very low43.1Very low145 Ų145104 Ų10467%0.67160%0.603SS**SBendtrans-87.1-14.1-170-142.8179.7000114.6
152L45.3Very low45Very low143 Ų143102.5 Ų102.575%0.74959%0.587SS**SBendtrans-86-13.6173.5-75.5162.3000113.1
153A43.1Very low46.2Very low67 Ų6798 Ų9855%0.55457%0.569SS**THydrogen-bonded Turntrans-84.6-7.5178.800000113.6P157A153-P157 WeakPolarHBondContact O-CD 3.25Å; A153-P157 WeakPolarHBondContact O-CG 3.2Å
154G41Very low48Very low37 Ų3790.5 Ų90.538%0.38155%0.549SS..THydrogen-bonded Turntrans-83-25.3-175.200000115.2
155A48.7Very low49.3Very low40 Ų4088.2 Ų88.233%0.33154%0.542SS..THydrogen-bonded Turntrans-98.7-29.7-174.500000114.2
156G59.3Low50.6Low37 Ų3788.2 Ų88.238%0.38154%0.536SS..Hα-helixtrans-69.2-50-177.400000115.7L160G156-L160 PolarHBondContact O-N 2.9Å
157P54.2Low51.4Low73 Ų7384 Ų8447%0.47452%0.519SS..Hα-helixtrans-76.9-28.3-17126.1-30.4000113.3A153 A161A153-P157 WeakPolarHBondContact O-CD 3.25Å; A153-P157 WeakPolarHBondContact O-CG 3.2Å; P157-A161 WeakPolarHBondContact O-CB 3.15Å; P157-A161 PolarHBondContact O-N 2.86Å
158L52.5Low52.2Low125 Ų12577.6 Ų77.665%0.65450%0.498SS*.Hα-helixtrans-73.7-36.6177.8-88.6160.2000112.8G162L158-G162 PolarHBondContact O-N 3.45Å
159R54.3Low53.7Low107 Ų10777.9 Ų77.940%0.40450%0.496SS..Hα-helixtrans-68.7-36.4173.8-79.4-154.1174.2171.5-0.1111.8E101 L163E101-R159 IonicContact OE1-CZ 2.83Å; E101-R159 IonicContact OE1-NH1 2.75Å; E101-R159 PolarHBondContact OE1-NH1 3.33Å; E101-R159 IonicContact OE1-NH2 3.13Å; R159-L163 WeakPolarHBondContact O-CB 3.29Å; R159-L163 PolarHBondContact O-N 2.9Å
160L54.3Low54.4Low39 Ų3980.3 Ų80.320%0.20450%0.498CS..Hα-helixtrans-74.1-38.3174.1-97.3129.3000113.9M18 I22 G156 G162 L163 V164M18-L160 HydrophobicContact CB-CD2 4.12Å; M18-L160 HydrophobicContact CE-CD2 4.07Å; M18-L160 HydrophobicContact CG-CD2 4.48Å; M18-L160 HydrophobicContact SD-CD2 3.6Å; M18-L160 VanDerWaalsContact SD-CD2 3.6Å; I22-L160 HydrophobicContact CD1-CB 3.92Å; I22-L160 HydrophobicContact CD1-CD1 3.47Å; I22-L160 VanDerWaalsContact CD1-CD1 3.47Å; I22-L160 HydrophobicContact CD1-CD2 3.2Å; I22-L160 HydrophobicContact CD1-CG 3.62Å; I22-L160 HydrophobicContact CG1-CD1 3.23Å; I22-L160 HydrophobicContact CG1-CD2 3.78Å; I22-L160 HydrophobicContact CG1-CG 3.95Å; G156-L160 PolarHBondContact O-N 2.9Å; L160-G162 VanDerWaalsContact C-N 3.3Å; L160-L163 PolarHBondContact O-N 3.25Å; L160-V164 WeakPolarHBondContact O-CB 2.99Å; L160-V164 VanDerWaalsContact O-CG2 3.25Å; L160-V164 WeakPolarHBondContact O-CG2 3.39Å; L160-V164 PolarHBondContact O-N 3.03Å
161A55.7Low55.1Low56 Ų5681.2 Ų81.246%0.46350%0.495SS..Hα-helixtrans-61.7-41.7170.300000110.7P157 V164 L165P157-A161 WeakPolarHBondContact O-CB 3.15Å; P157-A161 PolarHBondContact O-N 2.86Å; A161-V164 PolarHBondContact O-N 3.32Å; A161-L165 WeakPolarHBondContact O-CB 3.44Å; A161-L165 PolarHBondContact O-N 3.33Å
162G66Low55.5Low41 Ų4181 Ų8142%0.42350%0.498SS..Hα-helixtrans-63.4-42.1174.300000113.3L158 L160 L165 A166L158-G162 PolarHBondContact O-N 3.45Å; L160-G162 VanDerWaalsContact C-N 3.3Å; G162-L165 PolarHBondContact O-N 2.89Å; G162-A166 VanDerWaalsContact O-CB 3.25Å; G162-A166 WeakPolarHBondContact O-CB 3.22Å; G162-A166 PolarHBondContact O-N 2.95Å
163L62.3Low55.3Low94 Ų9486 Ų8649%0.49252%0.515SS..Hα-helixtrans-66.4-43.4175.6-102.8158.3000112.5M18 R159 L160 L165 A166 L167M18-L163 HydrophobicContact CE-CB 4.5Å; R159-L163 WeakPolarHBondContact O-CB 3.29Å; R159-L163 PolarHBondContact O-N 2.9Å; L160-L163 PolarHBondContact O-N 3.25Å; L163-L165 VanDerWaalsContact C-N 3.33Å; L163-A166 PolarHBondContact O-N 3.16Å; L163-L167 HydrophobicContact CD2-CD1 4.5Å; L163-L167 WeakPolarHBondContact O-CB 3.23Å; L163-L167 PolarHBondContact O-N 3.5Å
164V67.6Low55.9Low81 Ų8187 Ų8749%0.49151%0.513SS..Hα-helixtrans-64.9-39.5176.1168.50000110.7M18 L160 A161 L167 S168M18-V164 HydrophobicContact CE-CG2 4Å; L160-V164 WeakPolarHBondContact O-CB 2.99Å; L160-V164 VanDerWaalsContact O-CG2 3.25Å; L160-V164 WeakPolarHBondContact O-CG2 3.39Å; L160-V164 PolarHBondContact O-N 3.03Å; A161-V164 PolarHBondContact O-N 3.32Å; V164-L167 PolarHBondContact O-N 3.42Å; V164-S168 WeakPolarHBondContact O-CB 3.23Å; V164-S168 PolarHBondContact O-N 3.32Å
165L64.5Low56.7Low122 Ų12289.6 Ų89.664%0.63952%0.52SS*.Hα-helixtrans-70.3-37.9177.7-162.1147.2000111.6A161 G162 L163 S168 A169A161-L165 WeakPolarHBondContact O-CB 3.44Å; A161-L165 PolarHBondContact O-N 3.33Å; G162-L165 PolarHBondContact O-N 2.89Å; L163-L165 VanDerWaalsContact C-N 3.33Å; L165-S168 PolarHBondContact O-N 3.38Å; L165-A169 WeakPolarHBondContact O-CB 3.05Å; L165-A169 PolarHBondContact O-N 3.02Å
166A60.9Low57.2Low61 Ų6192.3 Ų92.350%0.50453%0.53SS..Hα-helixtrans-65.9-42.6173.100000112.4G162 L163 H170G162-A166 VanDerWaalsContact O-CB 3.25Å; G162-A166 WeakPolarHBondContact O-CB 3.22Å; G162-A166 PolarHBondContact O-N 2.95Å; L163-A166 PolarHBondContact O-N 3.16Å; A166-H170 PolarHBondContact O-N 3.46Å
167L52.6Low57Low95 Ų9595.6 Ų95.650%0.49754%0.539SS..Hα-helixtrans-66.8-37174.2-86.1155.4000112.1M18 L163 V164 H170 S171M18-L167 HydrophobicContact CE-CD1 4.15Å; L163-L167 HydrophobicContact CD2-CD1 4.5Å; L163-L167 WeakPolarHBondContact O-CB 3.23Å; L163-L167 PolarHBondContact O-N 3.5Å; V164-L167 PolarHBondContact O-N 3.42Å; L167-H170 PolarHBondContact O-N 2.8Å; L167-S171 PolarHBondContact O-N 3.29Å
168S53.3Low57.2Low57 Ų5797 Ų9740%0.39954%0.543SS..Hα-helixtrans-64.2-45.9175.1162.70000111.8V164 L165 H170 S171V164-S168 WeakPolarHBondContact O-CB 3.23Å; V164-S168 PolarHBondContact O-N 3.32Å; L165-S168 PolarHBondContact O-N 3.38Å; S168-H170 VanDerWaalsContact C-N 3.29Å; S168-H170 PolarHBondContact O-N 3.17Å; S168-S171 PolarHBondContact O-N 2.88Å; S168-S171 VanDerWaalsContact O-N 3.13Å; S168-S171 PolarHBondContact O-OG 3.49Å
169A66.7Low57.5Low51 Ų5195.1 Ų95.142%0.42154%0.535SS..Hα-helixtrans-64.9-33.4178.200000112.4L165 S171 L172L165-A169 WeakPolarHBondContact O-CB 3.05Å; L165-A169 PolarHBondContact O-N 3.02Å; A169-S171 VanDerWaalsContact C-N 3.28Å; A169-S171 PolarHBondContact O-N 2.72Å; A169-L172 PolarHBondContact O-N 3.04Å
170H57.4Low57.8Low156 Ų15694.3 Ų94.372%0.72255%0.545SS*.Hα-helixtrans-71.2-21.7175.7-159.9100000113.2A166 L167 S168A166-H170 PolarHBondContact O-N 3.46Å; L167-H170 PolarHBondContact O-N 2.8Å; S168-H170 VanDerWaalsContact C-N 3.29Å; S168-H170 PolarHBondContact O-N 3.17Å
171S54.8Low58Low78 Ų7898.5 Ų98.555%0.54557%0.571SS.*THydrogen-bonded Turntrans-87.2-8.1178.666.70000114.4L167 S168 A169L167-S171 PolarHBondContact O-N 3.29Å; S168-S171 PolarHBondContact O-N 2.88Å; S168-S171 VanDerWaalsContact O-N 3.13Å; S168-S171 PolarHBondContact O-OG 3.49Å; A169-S171 VanDerWaalsContact C-N 3.28Å; A169-S171 PolarHBondContact O-N 2.72Å
172L52.3Low58.2Low141 Ų141102.1 Ų102.174%0.73858%0.58SS**  trans-96.7-11.9-179.9-82.3163.2000113.7A169A169-L172 PolarHBondContact O-N 3.04Å
173F40.7Very low57.5Low248 Ų248107.6 Ų107.6100%1.08859%0.594SS**  trans-110.40172-79.4-83.1000110.1

Retrieved 173 of 173 residues in 82.3 ms (Link to these results)