X5M5S8_CAEEL Loading...

IstB_IS21 domain-containing protein

AlphaFold DB , UniProt , Accession X5M5S8, Species CAEEL (Caenorhabditis elegans), Gene pcyt-2.1, Length 117 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
1M88.1Confident94.6Very high157 Ų15791.6 Ų91.677%0.77347%0.471SS*.  0129.60-69.9172.268.600109.4E5 R6 S9M1-E5 WeakPolarHBondContact CA-OE2 3.33Å; M1-E5 HydrophobicContact CB-CB 4.31Å; M1-E5 HydrophobicContact CE-CB 4.25Å; M1-R6 HydrophobicContact CB-CG 3.91Å; M1-R6 HydrophobicContact CE-CG 4.02Å; M1-S9 WeakPolarHBondContact CE-OG 3.46Å
2S94.3Very high94.8Very high57 Ų5791.1 Ų91.140%0.39949%0.491SS..  trans-70.7170171.174.30000111.6H4 E5 R6S2-H4 VanDerWaalsContact C-N 3.31Å; S2-H4 PolarHBondContact O-N 3.02Å; S2-E5 PolarHBondContact N-OE2 3.43Å; S2-E5 PolarHBondContact O-N 3.17Å; S2-E5 WeakPolarHBondContact OG-CG 3.39Å; S2-E5 PolarHBondContact OG-N 3.41Å; S2-E5 PolarHBondContact OG-OE2 2.85Å; S2-R6 WeakPolarHBondContact O-CG 3.34Å; S2-R6 PolarHBondContact O-N 3.35Å; S2-R6 VanDerWaalsContact O-N 3.08Å
3I92.5Very high95Very high62 Ų6295.6 Ų95.632%0.31850%0.498SS..Hα-helixtrans-59.9-40.3176.3-17467.2000112.3E5 R6 V7 F21I3-E5 PolarHBondContact O-N 2.97Å; I3-R6 PolarHBondContact O-N 3.42Å; I3-V7 HydrophobicContact CD1-CG2 4.47Å; I3-V7 HydrophobicContact CG1-CG2 4.48Å; I3-V7 VanDerWaalsContact O-CG2 3.27Å; I3-V7 WeakPolarHBondContact O-CG2 3.39Å; I3-V7 PolarHBondContact O-N 3.06Å; I3-F21 HydrophobicContact CB-CZ 4.23Å; I3-F21 HydrophobicContact CG1-CD2 4.47Å; I3-F21 HydrophobicContact CG1-CE1 4.07Å; I3-F21 HydrophobicContact CG1-CE2 3.74Å; I3-F21 HydrophobicContact CG1-CZ 3.51Å; I3-F21 HydrophobicContact CG2-CE1 4.48Å; I3-F21 HydrophobicContact CG2-CE2 4.36Å; I3-F21 HydrophobicContact CG2-CZ 3.67Å
4H94.1Very high95.2Very high126 Ų126103.4 Ų103.458%0.58353%0.526SS*.Hα-helixtrans-64.2-43.6-179.8-61.991.4000111.4S2 R6 V7 L8S2-H4 VanDerWaalsContact C-N 3.31Å; S2-H4 PolarHBondContact O-N 3.02Å; H4-R6 PolarHBondContact O-N 2.82Å; H4-V7 PolarHBondContact O-N 3.47Å; H4-L8 WeakPolarHBondContact O-CG 3.45Å; H4-L8 PolarHBondContact O-N 2.71Å; H4-L8 VanDerWaalsContact O-N 3.12Å
5E95.9Very high95.2Very high101 Ų101101.8 Ų101.847%0.47253%0.525SS..Hα-helixtrans-64.5-39.6176.9-67.6167.6161.100112M1 S2 I3 S9M1-E5 WeakPolarHBondContact CA-OE2 3.33Å; M1-E5 HydrophobicContact CB-CB 4.31Å; M1-E5 HydrophobicContact CE-CB 4.25Å; S2-E5 PolarHBondContact N-OE2 3.43Å; S2-E5 PolarHBondContact O-N 3.17Å; S2-E5 WeakPolarHBondContact OG-CG 3.39Å; S2-E5 PolarHBondContact OG-N 3.41Å; S2-E5 PolarHBondContact OG-OE2 2.85Å; I3-E5 PolarHBondContact O-N 2.97Å; E5-S9 WeakPolarHBondContact O-CB 3.46Å; E5-S9 PolarHBondContact O-N 2.67Å; E5-S9 PolarHBondContact O-OG 3.27Å
6R95.4Very high95.4Very high135 Ų13598.1 Ų98.151%0.50951%0.508SS..Hα-helixtrans-63-44.1176.6-71.3-172.5-58.9165.90.2111.4M1 S2 I3 H4 S9 V10M1-R6 HydrophobicContact CB-CG 3.91Å; M1-R6 HydrophobicContact CE-CG 4.02Å; S2-R6 WeakPolarHBondContact O-CG 3.34Å; S2-R6 PolarHBondContact O-N 3.35Å; S2-R6 VanDerWaalsContact O-N 3.08Å; I3-R6 PolarHBondContact O-N 3.42Å; H4-R6 PolarHBondContact O-N 2.82Å; R6-S9 WeakPolarHBondContact O-CB 3.37Å; R6-S9 PolarHBondContact O-N 3.11Å; R6-V10 WeakPolarHBondContact O-CG2 3.4Å; R6-V10 PolarHBondContact O-N 2.83Å
7V95.8Very high95.4Very high27 Ų27101.4 Ų101.416%0.16453%0.527CS..Hα-helixtrans-62.8-45.9-179.9168.70000111.1I3 H4 S9 V10 L11 V19 F21I3-V7 HydrophobicContact CD1-CG2 4.47Å; I3-V7 HydrophobicContact CG1-CG2 4.48Å; I3-V7 VanDerWaalsContact O-CG2 3.27Å; I3-V7 WeakPolarHBondContact O-CG2 3.39Å; I3-V7 PolarHBondContact O-N 3.06Å; H4-V7 PolarHBondContact O-N 3.47Å; V7-S9 VanDerWaalsContact C-N 3.28Å; V7-S9 PolarHBondContact O-N 3.42Å; V7-V10 PolarHBondContact O-N 2.82Å; V7-L11 HydrophobicContact CG1-CD1 3.96Å; V7-L11 WeakPolarHBondContact O-CG 3.39Å; V7-L11 PolarHBondContact O-N 3.46Å; V7-V19 HydrophobicContact CG1-CG1 4.22Å; V7-V19 HydrophobicContact CG2-CG1 4.36Å; V7-F21 HydrophobicContact CB-CD2 4.31Å; V7-F21 HydrophobicContact CB-CE2 4.45Å; V7-F21 HydrophobicContact CG1-CD2 4.29Å; V7-F21 HydrophobicContact CG2-CD2 3.49Å; V7-F21 VanDerWaalsContact CG2-CD2 3.49Å; V7-F21 HydrophobicContact CG2-CE2 3.72Å
8L95.5Very high95.4Very high122 Ų122104.9 Ų104.964%0.63954%0.541SS*.Hα-helixtrans-61.2-38175.1-68.5174.4000112.3H4 L11 A12H4-L8 WeakPolarHBondContact O-CG 3.45Å; H4-L8 PolarHBondContact O-N 2.71Å; H4-L8 VanDerWaalsContact O-N 3.12Å; L8-L11 PolarHBondContact O-N 3.48Å; L8-A12 PolarHBondContact O-N 2.91Å; L8-A12 VanDerWaalsContact O-N 3.12Å
9S96.3Very high95.4Very high65 Ų65102 Ų10246%0.45553%0.528SS..Hα-helixtrans-65.8-40.3178.2-56.60000112.3M1 E5 R6 V7 A12M1-S9 WeakPolarHBondContact CE-OG 3.46Å; E5-S9 WeakPolarHBondContact O-CB 3.46Å; E5-S9 PolarHBondContact O-N 2.67Å; E5-S9 PolarHBondContact O-OG 3.27Å; R6-S9 WeakPolarHBondContact O-CB 3.37Å; R6-S9 PolarHBondContact O-N 3.11Å; V7-S9 VanDerWaalsContact C-N 3.28Å; V7-S9 PolarHBondContact O-N 3.42Å; S9-A12 PolarHBondContact O-N 3.25Å
10V96.1Very high95.3Very high67 Ų67101 Ų10141%0.40653%0.526SS..Hα-helixtrans-70.8-40.1177.5177.20000111R6 V7 A12 Y13 V16 V19R6-V10 WeakPolarHBondContact O-CG2 3.4Å; R6-V10 PolarHBondContact O-N 2.83Å; V7-V10 PolarHBondContact O-N 2.82Å; V10-A12 PolarHBondContact O-N 2.93Å; V10-Y13 VanDerWaalsContact O-CB 3.28Å; V10-Y13 WeakPolarHBondContact O-CB 3.46Å; V10-Y13 PolarHBondContact O-N 3.4Å; V10-V16 HydrophobicContact CG1-CG1 4.17Å; V10-V16 HydrophobicContact CG1-CG2 4Å; V10-V19 HydrophobicContact CB-CG2 4.16Å; V10-V19 HydrophobicContact CG1-CG2 3.62Å
11L96.6Very high95.1Very high89 Ų89101.5 Ų101.547%0.46653%0.525SS..Hα-helixtrans-64.1-26.4175.9-75.1169.9000113.3V7 L8 Y13 V19V7-L11 HydrophobicContact CG1-CD1 3.96Å; V7-L11 WeakPolarHBondContact O-CG 3.39Å; V7-L11 PolarHBondContact O-N 3.46Å; L8-L11 PolarHBondContact O-N 3.48Å; L11-Y13 PolarHBondContact O-N 3.5Å; L11-V19 HydrophobicContact CD2-CB 4.17Å; L11-V19 HydrophobicContact CD2-CG2 3.62Å; L11-V19 HydrophobicContact CG-CB 4.37Å; L11-V19 HydrophobicContact CG-CG2 3.8Å
12A97.4Very high95Very high85 Ų8596.9 Ų96.970%0.70252%0.517SS*.THydrogen-bonded Turntrans-75.2-10.5174.400000113.3L8 S9 V10L8-A12 PolarHBondContact O-N 2.91Å; L8-A12 VanDerWaalsContact O-N 3.12Å; S9-A12 PolarHBondContact O-N 3.25Å; V10-A12 PolarHBondContact O-N 2.93Å
13Y96.9Very high94.8Very high150 Ų15097.3 Ų97.359%0.58852%0.524SS*.SBendtrans-81.4118.9-179.1-176.6-135.2000111.2V10 L11 P15 V16V10-Y13 VanDerWaalsContact O-CB 3.28Å; V10-Y13 WeakPolarHBondContact O-CB 3.46Å; V10-Y13 PolarHBondContact O-N 3.4Å; L11-Y13 PolarHBondContact O-N 3.5Å; Y13-P15 VanDerWaalsContact C-CD 3.47Å; Y13-P15 HydrophobicContact CD1-CG 4.3Å; Y13-P15 HydrophobicContact CE1-CB 4.18Å; Y13-P15 HydrophobicContact CE1-CG 3.72Å; Y13-P15 VanDerWaalsContact CE2-CD 3.49Å; Y13-P15 HydrophobicContact CE2-CG 4Å; Y13-P15 VanDerWaalsContact CZ-CD 3.47Å; Y13-P15 VanDerWaalsContact O-N 3.11Å; Y13-V16 HydrophobicContact CD1-CG2 3.7Å; Y13-V16 HydrophobicContact CG-CG2 4.34Å; Y13-V16 WeakPolarHBondContact O-CB 3.46Å; Y13-V16 PolarHBondContact O-N 3.23Å
14K97.6Very high94.7Very high204 Ų20497.9 Ų97.989%0.88753%0.532SS*.THydrogen-bonded Turntrans-47.6-42-170.6179.8-178.7179.9-177.30115.8V16K14-V16 VanDerWaalsContact C-N 3.25Å; K14-V16 PolarHBondContact O-N 3.11Å
15P96Very high94.4Very high80 Ų8097.6 Ų97.652%0.51953%0.527SS..THydrogen-bonded Turntrans-74.7-8.5179.9-20.135.9000114.9Y13Y13-P15 VanDerWaalsContact C-CD 3.47Å; Y13-P15 HydrophobicContact CD1-CG 4.3Å; Y13-P15 HydrophobicContact CE1-CB 4.18Å; Y13-P15 HydrophobicContact CE1-CG 3.72Å; Y13-P15 VanDerWaalsContact CE2-CD 3.49Å; Y13-P15 HydrophobicContact CE2-CG 4Å; Y13-P15 VanDerWaalsContact CZ-CD 3.47Å; Y13-P15 VanDerWaalsContact O-N 3.11Å
16V97.4Very high94.2Very high42 Ų4296.9 Ų96.926%0.25552%0.523SS..  trans-86.2126.1-176.8174.70000109.9V10 Y13 K14 E18 V19V10-V16 HydrophobicContact CG1-CG1 4.17Å; V10-V16 HydrophobicContact CG1-CG2 4Å; Y13-V16 HydrophobicContact CD1-CG2 3.7Å; Y13-V16 HydrophobicContact CG-CG2 4.34Å; Y13-V16 WeakPolarHBondContact O-CB 3.46Å; Y13-V16 PolarHBondContact O-N 3.23Å; K14-V16 VanDerWaalsContact C-N 3.25Å; K14-V16 PolarHBondContact O-N 3.11Å; V16-E18 WeakPolarHBondContact CG1-O 3.33Å; V16-V19 HydrophobicContact CG1-CG2 3.74Å
17N96.7Very high94.1Very high154 Ų15492.1 Ų92.182%0.82451%0.507SS*.  trans-94.4-43.2172.7-6497.7000112.1
18E95.4Very high94Very high166 Ų16693.2 Ų93.278%0.77651%0.514SS*.  trans-142.3156.3-175.8-65.7-170173.300111.3V16V16-E18 WeakPolarHBondContact CG1-O 3.33Å
19V95.4Very high94Very high49 Ų4988.9 Ų88.930%0.29749%0.494SS..  trans-132.1126.8177.4177.20000109.4V7 V10 L11 V16 F21V7-V19 HydrophobicContact CG1-CG1 4.22Å; V7-V19 HydrophobicContact CG2-CG1 4.36Å; V10-V19 HydrophobicContact CB-CG2 4.16Å; V10-V19 HydrophobicContact CG1-CG2 3.62Å; L11-V19 HydrophobicContact CD2-CB 4.17Å; L11-V19 HydrophobicContact CD2-CG2 3.62Å; L11-V19 HydrophobicContact CG-CB 4.37Å; L11-V19 HydrophobicContact CG-CG2 3.8Å; V16-V19 HydrophobicContact CG1-CG2 3.74Å; V19-F21 PolarHBondContact O-N 2.91Å
20V92.7Very high94Very high81 Ų8191.7 Ų91.749%0.49150%0.504SS..  trans-84.2111.8173.4-179.20000109.3A23 F35V20-A23 HydrophobicContact CB-CB 4.45Å; V20-A23 HydrophobicContact CG1-CB 4.17Å; V20-F35 HydrophobicContact CG2-CE1 4.39Å; V20-F35 HydrophobicContact CG2-CE2 4.33Å; V20-F35 HydrophobicContact CG2-CZ 4.02Å
21F91.4Very high93.9Very high113 Ų11390.7 Ų90.750%0.49650%0.496SS..THydrogen-bonded Turntrans-76131.4177-163.8-82.4000110.7I3 V7 V19 A23I3-F21 HydrophobicContact CB-CZ 4.23Å; I3-F21 HydrophobicContact CG1-CD2 4.47Å; I3-F21 HydrophobicContact CG1-CE1 4.07Å; I3-F21 HydrophobicContact CG1-CE2 3.74Å; I3-F21 HydrophobicContact CG1-CZ 3.51Å; I3-F21 HydrophobicContact CG2-CE1 4.48Å; I3-F21 HydrophobicContact CG2-CE2 4.36Å; I3-F21 HydrophobicContact CG2-CZ 3.67Å; V7-F21 HydrophobicContact CB-CD2 4.31Å; V7-F21 HydrophobicContact CB-CE2 4.45Å; V7-F21 HydrophobicContact CG1-CD2 4.29Å; V7-F21 HydrophobicContact CG2-CD2 3.49Å; V7-F21 VanDerWaalsContact CG2-CD2 3.49Å; V7-F21 HydrophobicContact CG2-CE2 3.72Å; V19-F21 PolarHBondContact O-N 2.91Å; F21-A23 VanDerWaalsContact C-N 3.34Å
22G85.2Confident93.9Very high60 Ų6086.7 Ų86.762%0.61948%0.475SS*.THydrogen-bonded Turntrans69.630.2178.800000113.8
23A89.6Confident93.9Very high65 Ų6587.1 Ų87.154%0.53747%0.466SS..  trans-53.1135.5173.200000110.8V20 F21V20-A23 HydrophobicContact CB-CB 4.45Å; V20-A23 HydrophobicContact CG1-CB 4.17Å; F21-A23 VanDerWaalsContact C-N 3.34Å
24P90.4Very high93.8Very high75 Ų7587 Ų8749%0.48747%0.47SS..  trans-68.1163.7177.528.3-32.3000111.2I31P24-I31 HydrophobicContact CG-CD1 3.22Å
25Y89.1Confident93.7Very high120 Ų12082 Ų8247%0.47145%0.449SS..SBendtrans-69.2-44.4178.6-176.6-104.5000112.3L56 P61Y25-L56 HydrophobicContact CD1-CD1 4.25Å; Y25-P61 HydrophobicContact CD1-CB 4.19Å; Y25-P61 HydrophobicContact CE1-CB 3.96Å; Y25-P61 HydrophobicContact CE1-CG 4.11Å; Y25-P61 WeakPolarHBondContact O-CB 3.28Å
26E91.6Very high93.7Very high86 Ų8684.2 Ų84.240%0.40246%0.456SS..SBendtrans-89.2137.2176.4-176178.6177.100110.7T28E26-T28 PolarHBondContact O-N 3.15Å
27I92.4Very high93.7Very high34 Ų3484.6 Ų84.617%0.17446%0.458CS..  trans-85.2107.7174.5-58.5180000108.4L32 V40 P61 F62 E64I27-L32 HydrophobicContact CG2-CD1 3.99Å; I27-L32 HydrophobicContact CG2-CD2 3.59Å; I27-L32 HydrophobicContact CG2-CG 3.73Å; I27-V40 HydrophobicContact CD1-CG1 3.59Å; I27-P61 WeakPolarHBondContact CB-O 3.47Å; I27-P61 PolarHBondContact N-O 3.21Å; I27-F62 HydrophobicContact CD1-CD1 3.55Å; I27-F62 HydrophobicContact CD1-CE1 3.8Å; I27-E64 WeakPolarHBondContact O-CB 3.31Å
28T94.4Very high93.7Very high51 Ų5185 Ų8531%0.31346%0.456SS..  trans-91.2159.5179.464.70000112E26 D30 I31 L32E26-T28 PolarHBondContact O-N 3.15Å; T28-D30 VanDerWaalsContact C-N 3.27Å; T28-D30 PolarHBondContact O-N 2.68Å; T28-I31 PolarHBondContact O-N 2.81Å; T28-L32 PolarHBondContact O-N 2.61Å
29S96.1Very high93.8Very high31 Ų3179.5 Ų79.522%0.21744%0.438CS..Hα-helixtrans-52.6-46172.8-79.60000112.4I31 L32 D33 E64 R68S29-I31 PolarHBondContact O-N 2.67Å; S29-L32 PolarHBondContact O-N 3.02Å; S29-L32 VanDerWaalsContact O-N 3.07Å; S29-D33 WeakPolarHBondContact O-CB 3.42Å; S29-D33 VanDerWaalsContact O-CG 3.24Å; S29-D33 PolarHBondContact O-N 2.98Å; S29-D33 VanDerWaalsContact O-OD2 3.07Å; S29-E64 PolarHBondContact OG-OE1 3.02Å; S29-E64 PolarHBondContact OG-OE2 3.43Å; S29-R68 VanDerWaalsContact CA-NH2 3.28Å; S29-R68 PolarHBondContact OG-NH2 3.01Å
30D95.7Very high93.9Very high123 Ų12377.9 Ų77.966%0.65843%0.429SS*.Hα-helixtrans-56.7-39.4-176.4-59.8-12.3000112T28 Q34T28-D30 VanDerWaalsContact C-N 3.27Å; T28-D30 PolarHBondContact O-N 2.68Å; D30-Q34 WeakPolarHBondContact O-CB 3.4Å; D30-Q34 PolarHBondContact O-N 3.34Å
31I94.3Very high94.1Very high47 Ų4778.8 Ų78.824%0.24143%0.43CS..Hα-helixtrans-70.9-44178.8-68.4172.9000110.7P24 T28 S29 D33 Q34 F35P24-I31 HydrophobicContact CG-CD1 3.22Å; T28-I31 PolarHBondContact O-N 2.81Å; S29-I31 PolarHBondContact O-N 2.67Å; I31-D33 VanDerWaalsContact C-N 3.27Å; I31-D33 PolarHBondContact O-N 3.32Å; I31-Q34 PolarHBondContact O-N 2.89Å; I31-F35 HydrophobicContact CG2-CD2 3.9Å; I31-F35 HydrophobicContact CG2-CE2 4.2Å; I31-F35 VanDerWaalsContact O-CD2 3.31Å; I31-F35 WeakPolarHBondContact O-CD2 3.45Å; I31-F35 PolarHBondContact O-N 3.2Å; I31-F35 VanDerWaalsContact O-N 3.1Å
32L95.9Very high94.1Very high4 Ų476.2 Ų76.22%0.02142%0.421CS..Hα-helixtrans-61.6-40.6178.2-64.3176000111.3I27 T28 S29 N36 V37 V40 E64 I70I27-L32 HydrophobicContact CG2-CD1 3.99Å; I27-L32 HydrophobicContact CG2-CD2 3.59Å; I27-L32 HydrophobicContact CG2-CG 3.73Å; T28-L32 PolarHBondContact O-N 2.61Å; S29-L32 PolarHBondContact O-N 3.02Å; S29-L32 VanDerWaalsContact O-N 3.07Å; L32-N36 WeakPolarHBondContact O-CA 3.41Å; L32-N36 PolarHBondContact O-N 3.36Å; L32-N36 VanDerWaalsContact O-N 3.07Å; L32-V37 HydrophobicContact CB-CB 4.45Å; L32-V37 HydrophobicContact CD2-CB 3.73Å; L32-V37 HydrophobicContact CD2-CG1 3.81Å; L32-V37 HydrophobicContact CD2-CG2 4.06Å; L32-V37 PolarHBondContact O-N 3.21Å; L32-V40 HydrophobicContact CD2-CG2 3.79Å; L32-E64 HydrophobicContact CD1-CB 4.39Å; L32-E64 HydrophobicContact CD1-CG 3.57Å; L32-I70 HydrophobicContact CD1-CD1 4.33Å; L32-I70 HydrophobicContact CD2-CD1 4.37Å
33D96.9Very high94.4Very high95 Ų9575.5 Ų75.551%0.50841%0.414SS..Hα-helixtrans-74.3-43-179.9-63.1-33.1000111.4S29 I31 F35 N36 R68S29-D33 WeakPolarHBondContact O-CB 3.42Å; S29-D33 VanDerWaalsContact O-CG 3.24Å; S29-D33 PolarHBondContact O-N 2.98Å; S29-D33 VanDerWaalsContact O-OD2 3.07Å; I31-D33 VanDerWaalsContact C-N 3.27Å; I31-D33 PolarHBondContact O-N 3.32Å; D33-F35 VanDerWaalsContact C-N 3.32Å; D33-F35 PolarHBondContact O-N 2.7Å; D33-N36 PolarHBondContact O-N 2.91Å; D33-R68 IonicContact OD1-CZ 3.71Å; D33-R68 IonicContact OD1-NH1 3.32Å; D33-R68 PolarHBondContact OD1-NH1 3.28Å; D33-R68 IonicContact OD1-NH2 3.48Å; D33-R68 PolarHBondContact OD1-NH2 3.45Å; D33-R68 IonicContact OD2-CZ 3.68Å; D33-R68 IonicContact OD2-NH1 2.98Å; D33-R68 IonicContact OD2-NH2 3.88Å; D33-R68 PolarHBondContact OD2-NH2 3.38Å
34Q95.4Very high94Very high147 Ų14776.4 Ų76.469%0.68741%0.406SS*.Hα-helixtrans-59-41178.2177.8179.6-14.500112.5D30 I31D30-Q34 WeakPolarHBondContact O-CB 3.4Å; D30-Q34 PolarHBondContact O-N 3.34Å; I31-Q34 PolarHBondContact O-N 2.89Å
35F94.9Very high93.1Very high98 Ų9878.6 Ų78.643%0.4340%0.404SS..THydrogen-bonded Turntrans-96.33.6-179.7-66.7-73.1000113.5V20 I31 D33 V37V20-F35 HydrophobicContact CG2-CE1 4.39Å; V20-F35 HydrophobicContact CG2-CE2 4.33Å; V20-F35 HydrophobicContact CG2-CZ 4.02Å; I31-F35 HydrophobicContact CG2-CD2 3.9Å; I31-F35 HydrophobicContact CG2-CE2 4.2Å; I31-F35 VanDerWaalsContact O-CD2 3.31Å; I31-F35 WeakPolarHBondContact O-CD2 3.45Å; I31-F35 PolarHBondContact O-N 3.2Å; I31-F35 VanDerWaalsContact O-N 3.1Å; D33-F35 VanDerWaalsContact C-N 3.32Å; D33-F35 PolarHBondContact O-N 2.7Å; F35-V37 VanDerWaalsContact C-N 3.29Å; F35-V37 HydrophobicContact CB-CG2 3.77Å; F35-V37 PolarHBondContact O-N 3.07Å
36N96.8Very high91.8Very high128 Ų12879.2 Ų79.268%0.68442%0.416SS*.THydrogen-bonded Turntrans48.550.4-176.5-171.539.9000112.4L32 D33 Q38L32-N36 WeakPolarHBondContact O-CA 3.41Å; L32-N36 PolarHBondContact O-N 3.36Å; L32-N36 VanDerWaalsContact O-N 3.07Å; D33-N36 PolarHBondContact O-N 2.91Å; N36-Q38 PolarHBondContact O-N 3.42Å
37V97Very high90.1Very high49 Ų4981.1 Ų81.130%0.29743%0.429SS..  trans-73.3122.5-173179.90000110.4L32 F35 A39 V40L32-V37 HydrophobicContact CB-CB 4.45Å; L32-V37 HydrophobicContact CD2-CB 3.73Å; L32-V37 HydrophobicContact CD2-CG1 3.81Å; L32-V37 HydrophobicContact CD2-CG2 4.06Å; L32-V37 PolarHBondContact O-N 3.21Å; F35-V37 VanDerWaalsContact C-N 3.29Å; F35-V37 HydrophobicContact CB-CG2 3.77Å; F35-V37 PolarHBondContact O-N 3.07Å; V37-A39 WeakPolarHBondContact CG1-O 3.43Å; V37-V40 HydrophobicContact CG1-CG2 3.92Å
38Q97.8Very high88Confident163 Ų16387.5 Ų87.576%0.76246%0.463SS*.  trans-95.5-22.9179.7-66.3178.179.700113.5N36 I70N36-Q38 PolarHBondContact O-N 3.42Å; Q38-I70 WeakPolarHBondContact O-CG2 3.39Å
39A97.4Very high85.8Confident50 Ų5087.4 Ų87.441%0.41346%0.464SS..  trans-150.5139.7-179.100000110.6V37 I41 I70V37-A39 WeakPolarHBondContact CG1-O 3.43Å; A39-I41 HydrophobicContact CB-CD1 4.27Å; A39-I70 WeakPolarHBondContact CA-O 3.27Å
40V96.9Very high83.5Confident16 Ų1691 Ų9110%0.09749%0.49CS..EExtended strand (participates in β ladder)trans-116.4118.4173.5176.40000107.7I27 L32 V37 F62 A65 I70 Y71 H72I27-V40 HydrophobicContact CD1-CG1 3.59Å; L32-V40 HydrophobicContact CD2-CG2 3.79Å; V37-V40 HydrophobicContact CG1-CG2 3.92Å; V40-F62 HydrophobicContact CG1-CD1 3.95Å; V40-F62 HydrophobicContact CG1-CE1 4.25Å; V40-A65 HydrophobicContact CB-CB 3.85Å; V40-A65 HydrophobicContact CG1-CB 4.13Å; V40-A65 HydrophobicContact CG2-CB 3.71Å; V40-I70 HydrophobicContact CG2-CD1 4.27Å; V40-I70 HydrophobicContact CG2-CG1 4.45Å; V40-I70 PolarHBondContact N-O 2.73Å; V40-Y71 HydrophobicContact CG1-CD2 4.13Å; V40-Y71 CarbonylContact O-C 3.57Å; V40-Y71 WeakPolarHBondContact O-CA 3.32Å; V40-H72 PolarHBondContact O-N 3.13Å
41I95.8Very high81.3Confident100 Ų10091.7 Ų91.751%0.51350%0.498SS..EExtended strand (participates in β ladder)trans-112.3129.5-175.4-48.3-59.1000109.7A39 H72 V74A39-I41 HydrophobicContact CB-CD1 4.27Å; I41-H72 WeakPolarHBondContact CA-O 3.4Å; I41-H72 HydrophobicContact CD1-CB 3.71Å; I41-V74 HydrophobicContact CG2-CB 4.06Å; I41-V74 HydrophobicContact CG2-CG2 3.48Å; I41-V74 VanDerWaalsContact CG2-CG2 3.48Å
42N93.5Very high79.3Confident58 Ų5891.9 Ų91.931%0.3150%0.501SS..EExtended strand (participates in β ladder)trans-120.6146.1170-175.743.9000111.1F44 F62 Y71 H72 E73 V74N42-F44 PolarHBondContact O-N 3.1Å; N42-F62 HydrophobicContact CB-CE1 4.17Å; N42-F62 HydrophobicContact CB-CE2 4.34Å; N42-F62 HydrophobicContact CB-CZ 3.86Å; N42-Y71 HydrophobicContact CB-CE2 3.78Å; N42-Y71 PolarHBondContact ND2-OH 2.85Å; N42-H72 PolarHBondContact N-O 3.37Å; N42-E73 WeakPolarHBondContact O-CA 3.5Å; N42-V74 PolarHBondContact O-N 3.13Å
43G90.4Very high77Confident45 Ų4597 Ų9746%0.46453%0.529SS..EExtended strand (participates in β ladder)trans-70.7127.2174.100000110.6V74G43-V74 CarbonylContact C-O 3.58Å; G43-V74 WeakPolarHBondContact CA-O 3.16Å
44F80.8Confident74.9Confident85 Ų8597.8 Ų97.837%0.37354%0.542SS..EExtended strand (participates in β ladder)trans-72.6135.3170.6177.6-98.3000109.7N42 E73 V74 D75N42-F44 PolarHBondContact O-N 3.1Å; F44-E73 HydrophobicContact CB-CB 4.43Å; F44-V74 PolarHBondContact N-O 2.96Å; F44-D75 HydrophobicContact CB-CB 4.43Å; F44-D75 HydrophobicContact CD1-CB 4.46Å
45R72.4Confident72.9Confident120 Ų12095.9 Ų95.945%0.45354%0.544SS..  trans-142.6135.9169.5-64-162.668.9-146.2-12.9109.2N47R45-N47 PolarHBondContact O-N 3.47Å; R45-N47 PolarHBondContact O-OD1 3.06Å
46D62.4Low71Confident133 Ų13394.5 Ų94.571%0.71154%0.541SS*.  trans-67.199.8173.3-163.36.1000109.6N48D46-N48 PolarHBondContact O-N 3.28Å
47N55.8Low69.1Low127 Ų12791.8 Ų91.868%0.67954%0.536SS*.SBendtrans-0.589.9164.2-34.3-28.5000116.6R45R45-N47 PolarHBondContact O-N 3.47Å; R45-N47 PolarHBondContact O-OD1 3.06Å
48N46.7Very low67.6Low168 Ų16894.7 Ų94.790%0.89856%0.559SS**SBendtrans-1674.8146.6-112.2-26000116.3D46D46-N48 PolarHBondContact O-N 3.28Å
49S48Very low66.6Low48 Ų4890.2 Ų90.234%0.33654%0.54SS..  trans-132.223-173.7-178.70000112.8V51S49-V51 VanDerWaalsContact C-N 3.31Å; S49-V51 PolarHBondContact O-N 2.96Å
50S49.4Very low66.2Low108 Ų10890.9 Ų90.976%0.75554%0.536SS*.  trans-76.794.9159.7-77.70000106.9V52S50-V52 PolarHBondContact O-N 3.09Å
51V49.6Very low65.9Low137 Ų13791 Ų9183%0.8354%0.538SS*.  trans-66.270.7161.9-171.60000106.8S49 N53S49-V51 VanDerWaalsContact C-N 3.31Å; S49-V51 PolarHBondContact O-N 2.96Å; V51-N53 PolarHBondContact O-N 3.43Å
52V51.8Low65.8Low50 Ų5088.3 Ų88.330%0.30352%0.522SS..  trans-74.9109.2164.7-161.40000104.1S50 S54 A57S50-V52 PolarHBondContact O-N 3.09Å; V52-S54 PolarHBondContact O-N 3.29Å; V52-S54 VanDerWaalsContact O-N 3.13Å; V52-A57 HydrophobicContact CG1-CB 4.24Å
53N47.5Very low65.8Low112 Ų11287.6 Ų87.660%0.59953%0.525SS*.  trans-46.3122.7170.4-162.4-21.4000107.4V51 S55 L56V51-N53 PolarHBondContact O-N 3.43Å; N53-S55 PolarHBondContact O-N 2.93Å; N53-L56 PolarHBondContact O-N 3.41Å
54S52.5Low66.1Low112 Ų11286.4 Ų86.478%0.78351%0.507SS*.THydrogen-bonded Turntrans-55.6-16.5-166.2-61.70000114.4V52V52-S54 PolarHBondContact O-N 3.29Å; V52-S54 VanDerWaalsContact O-N 3.13Å
55S53.3Low66.9Low106 Ų10682.3 Ų82.374%0.74149%0.489SS*.THydrogen-bonded Turntrans-79.7-18.2175.6-44.50000115.1N53N53-S55 PolarHBondContact O-N 2.93Å
56L55.4Low68Low69 Ų6980.9 Ų80.936%0.36149%0.486SS..THydrogen-bonded Turntrans-113.33.7179.8-69.2173.1000112.9Y25 N53 S58 I59Y25-L56 HydrophobicContact CD1-CD1 4.25Å; N53-L56 PolarHBondContact O-N 3.41Å; L56-S58 PolarHBondContact O-N 2.87Å; L56-I59 HydrophobicContact CD2-CD1 4.18Å; L56-I59 PolarHBondContact O-N 3.28Å; L56-I59 VanDerWaalsContact O-N 3.07Å
57A57.7Low69.6Low71 Ų7182.8 Ų82.859%0.58748%0.483SS*.THydrogen-bonded Turntrans-59-15.1-177.100000114.6V52V52-A57 HydrophobicContact CG1-CB 4.24Å
58S63.9Low71.6Confident110 Ų11080.9 Ų80.977%0.76947%0.466SS*.THydrogen-bonded Turntrans-91.8-7.417962.40000114.8L56L56-S58 PolarHBondContact O-N 2.87Å
59I78.1Confident74Confident70 Ų7075.7 Ų75.736%0.35945%0.453SS..  trans-108.8118.8-175.6-55.1176.9000108.7L56 P61L56-I59 HydrophobicContact CD2-CD1 4.18Å; L56-I59 PolarHBondContact O-N 3.28Å; L56-I59 VanDerWaalsContact O-N 3.07Å; I59-P61 WeakPolarHBondContact O-CD 3.18Å
60D87.9Confident76.4Confident64 Ų6474.9 Ų74.934%0.34244%0.444SS..  trans-77.2107.2169176.37.7000108.9F62 A63 K66D60-F62 PolarHBondContact O-N 3.35Å; D60-F62 PolarHBondContact OD1-N 3.28Å; D60-F62 VanDerWaalsContact OD1-N 3.1Å; D60-A63 HydrophobicContact CB-CB 4.25Å; D60-A63 VanDerWaalsContact O-CB 3.32Å; D60-A63 WeakPolarHBondContact O-CB 3.46Å; D60-A63 PolarHBondContact O-N 3.07Å; D60-A63 VanDerWaalsContact O-N 3.09Å; D60-K66 VanDerWaalsContact CG-NZ 3.26Å; D60-K66 IonicContact OD1-NZ 3.11Å; D60-K66 PolarHBondContact OD1-NZ 3.06Å; D60-K66 VanDerWaalsContact OD1-NZ 3.11Å; D60-K66 WeakPolarHBondContact OD2-CD 3.37Å; D60-K66 IonicContact OD2-NZ 2.67Å; D60-K66 PolarHBondContact OD2-NZ 3.07Å
61P90.9Very high78.7Confident19 Ų1971.4 Ų71.412%0.12342%0.415CS..THydrogen-bonded Turntrans-64.8-15.5-175.526.8-34.1000113.2Y25 I27 I59Y25-P61 HydrophobicContact CD1-CB 4.19Å; Y25-P61 HydrophobicContact CE1-CB 3.96Å; Y25-P61 HydrophobicContact CE1-CG 4.11Å; Y25-P61 WeakPolarHBondContact O-CB 3.28Å; I27-P61 WeakPolarHBondContact CB-O 3.47Å; I27-P61 PolarHBondContact N-O 3.21Å; I59-P61 WeakPolarHBondContact O-CD 3.18Å
62F93.4Very high80.9Confident42 Ų4269.3 Ų69.318%0.18440%0.396CS..THydrogen-bonded Turntrans-101.36.4-179.3-55.6-75.1000113I27 V40 N42 D60 E64 A65 K66 Y71I27-F62 HydrophobicContact CD1-CD1 3.55Å; I27-F62 HydrophobicContact CD1-CE1 3.8Å; V40-F62 HydrophobicContact CG1-CD1 3.95Å; V40-F62 HydrophobicContact CG1-CE1 4.25Å; N42-F62 HydrophobicContact CB-CE1 4.17Å; N42-F62 HydrophobicContact CB-CE2 4.34Å; N42-F62 HydrophobicContact CB-CZ 3.86Å; D60-F62 PolarHBondContact O-N 3.35Å; D60-F62 PolarHBondContact OD1-N 3.28Å; D60-F62 VanDerWaalsContact OD1-N 3.1Å; F62-E64 VanDerWaalsContact C-N 3.29Å; F62-E64 PolarHBondContact O-N 2.9Å; F62-A65 PolarHBondContact O-N 3.4Å; F62-A65 VanDerWaalsContact O-N 3.11Å; F62-K66 HydrophobicContact CB-CD 4.38Å; F62-K66 HydrophobicContact CB-CG 4.46Å; F62-K66 WeakPolarHBondContact O-CG 3.07Å; F62-K66 PolarHBondContact O-N 3.1Å; F62-Y71 HydrophobicContact CB-CD2 3.74Å; F62-Y71 HydrophobicContact CB-CE2 3.71Å; F62-Y71 HydrophobicContact CB-CG 4.46Å; F62-Y71 AromaticContact CD1-CD2 3.81Å; F62-Y71 HydrophobicContact CD1-CD2 3.81Å; F62-Y71 AromaticContact CD1-CE2 3.49Å; F62-Y71 HydrophobicContact CD1-CE2 3.49Å; F62-Y71 VanDerWaalsContact CD1-CE2 3.49Å; F62-Y71 AromaticContact CD2-CE2 3.86Å; F62-Y71 HydrophobicContact CD2-CE2 3.86Å; F62-Y71 HydrophobicContact CE1-CE2 4.04Å; F62-Y71 HydrophobicContact CE2-CE2 4.34Å; F62-Y71 AromaticContact CG-CD2 3.85Å; F62-Y71 HydrophobicContact CG-CD2 3.85Å; F62-Y71 AromaticContact CG-CE2 3.4Å; F62-Y71 HydrophobicContact CG-CE2 3.4Å; F62-Y71 HydrophobicContact CZ-CE2 4.43Å
63A94.7Very high82.9Confident44 Ų4471.9 Ų71.936%0.36441%0.405SS..Hα-helixtrans-53.9-42.9-17400000113.1D60 K66 R67D60-A63 HydrophobicContact CB-CB 4.25Å; D60-A63 VanDerWaalsContact O-CB 3.32Å; D60-A63 WeakPolarHBondContact O-CB 3.46Å; D60-A63 PolarHBondContact O-N 3.07Å; D60-A63 VanDerWaalsContact O-N 3.09Å; A63-K66 PolarHBondContact O-N 3.46Å; A63-R67 WeakPolarHBondContact O-CB 3.22Å; A63-R67 PolarHBondContact O-N 2.91Å
64E95.8Very high85.1Confident19 Ų1970.1 Ų70.19%0.08940%0.398CS..Hα-helixtrans-62.3-49.9176.6-178.160.6-13600112.2I27 S29 L32 F62 K66 R67 R68I27-E64 WeakPolarHBondContact O-CB 3.31Å; S29-E64 PolarHBondContact OG-OE1 3.02Å; S29-E64 PolarHBondContact OG-OE2 3.43Å; L32-E64 HydrophobicContact CD1-CB 4.39Å; L32-E64 HydrophobicContact CD1-CG 3.57Å; F62-E64 VanDerWaalsContact C-N 3.29Å; F62-E64 PolarHBondContact O-N 2.9Å; E64-K66 VanDerWaalsContact C-N 3.3Å; E64-K66 PolarHBondContact O-N 2.83Å; E64-R67 VanDerWaalsContact CD-CZ 3.43Å; E64-R67 WeakPolarHBondContact O-CB 3.37Å; E64-R67 PolarHBondContact O-N 3.26Å; E64-R67 VanDerWaalsContact O-N 3.15Å; E64-R67 IonicContact OE1-CZ 3.28Å; E64-R67 VanDerWaalsContact OE1-CZ 3.28Å; E64-R67 IonicContact OE1-NE 3.93Å; E64-R67 IonicContact OE1-NH1 3.8Å; E64-R67 IonicContact OE1-NH2 2.67Å; E64-R67 PolarHBondContact OE1-NH2 3.4Å; E64-R67 IonicContact OE2-CZ 2.94Å; E64-R67 IonicContact OE2-NH1 2.68Å; E64-R67 PolarHBondContact OE2-NH1 3.33Å; E64-R67 IonicContact OE2-NH2 2.61Å; E64-R67 PolarHBondContact OE2-NH2 3.01Å; E64-R68 WeakPolarHBondContact O-CG 3.22Å; E64-R68 PolarHBondContact O-N 3.47Å; E64-R68 IonicContact OE1-CZ 3.97Å; E64-R68 IonicContact OE1-NE 2.81Å; E64-R68 PolarHBondContact OE1-NE 3Å; E64-R68 IonicContact OE1-NH2 2.84Å
65A96.7Very high87Confident0 Ų070 Ų700%039%0.389CS..Hα-helixtrans-62.9-38.5-179.300000111.7V40 F62 R68 G69 I70 Y71V40-A65 HydrophobicContact CB-CB 3.85Å; V40-A65 HydrophobicContact CG1-CB 4.13Å; V40-A65 HydrophobicContact CG2-CB 3.71Å; F62-A65 PolarHBondContact O-N 3.4Å; F62-A65 VanDerWaalsContact O-N 3.11Å; A65-R68 PolarHBondContact O-N 2.97Å; A65-G69 PolarHBondContact O-N 3.12Å; A65-I70 HydrophobicContact CB-CG1 4.21Å; A65-I70 WeakPolarHBondContact O-CG1 3.18Å; A65-I70 PolarHBondContact O-N 3.28Å; A65-Y71 PolarHBondContact O-N 2.82Å
66K96.1Very high88.8Confident89 Ų8969.3 Ų69.339%0.38738%0.383SS..Hα-helixtrans-64.3-44.4173-70.9172.1-176.8168.10111.4D60 F62 A63 E64 R68 G69 Y71D60-K66 VanDerWaalsContact CG-NZ 3.26Å; D60-K66 IonicContact OD1-NZ 3.11Å; D60-K66 PolarHBondContact OD1-NZ 3.06Å; D60-K66 VanDerWaalsContact OD1-NZ 3.11Å; D60-K66 WeakPolarHBondContact OD2-CD 3.37Å; D60-K66 IonicContact OD2-NZ 2.67Å; D60-K66 PolarHBondContact OD2-NZ 3.07Å; F62-K66 HydrophobicContact CB-CD 4.38Å; F62-K66 HydrophobicContact CB-CG 4.46Å; F62-K66 WeakPolarHBondContact O-CG 3.07Å; F62-K66 PolarHBondContact O-N 3.1Å; A63-K66 PolarHBondContact O-N 3.46Å; E64-K66 VanDerWaalsContact C-N 3.3Å; E64-K66 PolarHBondContact O-N 2.83Å; K66-R68 VanDerWaalsContact C-N 3.27Å; K66-R68 PolarHBondContact O-N 3.3Å; K66-G69 PolarHBondContact O-N 2.97Å; K66-Y71 HydrophobicContact CD-CD1 4.35Å; K66-Y71 HydrophobicContact CG-CD1 3.74Å; K66-Y71 HydrophobicContact CG-CG 3.76Å
67R96.9Very high90.5Very high173 Ų17369.3 Ų69.365%0.65340%0.4SS*.Hα-helixtrans-60.3-36.8176.7-169.317974.2-124.38.2112.2A63 E64 G69A63-R67 WeakPolarHBondContact O-CB 3.22Å; A63-R67 PolarHBondContact O-N 2.91Å; E64-R67 VanDerWaalsContact CD-CZ 3.43Å; E64-R67 WeakPolarHBondContact O-CB 3.37Å; E64-R67 PolarHBondContact O-N 3.26Å; E64-R67 VanDerWaalsContact O-N 3.15Å; E64-R67 IonicContact OE1-CZ 3.28Å; E64-R67 VanDerWaalsContact OE1-CZ 3.28Å; E64-R67 IonicContact OE1-NE 3.93Å; E64-R67 IonicContact OE1-NH1 3.8Å; E64-R67 IonicContact OE1-NH2 2.67Å; E64-R67 PolarHBondContact OE1-NH2 3.4Å; E64-R67 IonicContact OE2-CZ 2.94Å; E64-R67 IonicContact OE2-NH1 2.68Å; E64-R67 PolarHBondContact OE2-NH1 3.33Å; E64-R67 IonicContact OE2-NH2 2.61Å; E64-R67 PolarHBondContact OE2-NH2 3.01Å; R67-G69 VanDerWaalsContact C-N 3.29Å
68R97.3Very high92.1Very high87 Ų8768.9 Ų68.933%0.32839%0.393SS..THydrogen-bonded Turntrans-78.3-8175.7-67.5-179.2-175.4-144.9-0.7113.9S29 D33 E64 A65 K66 I70S29-R68 VanDerWaalsContact CA-NH2 3.28Å; S29-R68 PolarHBondContact OG-NH2 3.01Å; D33-R68 IonicContact OD1-CZ 3.71Å; D33-R68 IonicContact OD1-NH1 3.32Å; D33-R68 PolarHBondContact OD1-NH1 3.28Å; D33-R68 IonicContact OD1-NH2 3.48Å; D33-R68 PolarHBondContact OD1-NH2 3.45Å; D33-R68 IonicContact OD2-CZ 3.68Å; D33-R68 IonicContact OD2-NH1 2.98Å; D33-R68 IonicContact OD2-NH2 3.88Å; D33-R68 PolarHBondContact OD2-NH2 3.38Å; E64-R68 WeakPolarHBondContact O-CG 3.22Å; E64-R68 PolarHBondContact O-N 3.47Å; E64-R68 IonicContact OE1-CZ 3.97Å; E64-R68 IonicContact OE1-NE 2.81Å; E64-R68 PolarHBondContact OE1-NE 3Å; E64-R68 IonicContact OE1-NH2 2.84Å; A65-R68 PolarHBondContact O-N 2.97Å; K66-R68 VanDerWaalsContact C-N 3.27Å; K66-R68 PolarHBondContact O-N 3.3Å; R68-I70 VanDerWaalsContact C-N 3.31Å; R68-I70 HydrophobicContact CB-CD1 4.3Å; R68-I70 HydrophobicContact CB-CG1 4.02Å; R68-I70 HydrophobicContact CB-CG2 4.49Å; R68-I70 PolarHBondContact O-N 3.23Å
69G97.6Very high93.3Very high60 Ų6069.4 Ų69.462%0.61939%0.387SS*.THydrogen-bonded Turntrans71.821-179.200000114.6A65 K66 R67A65-G69 PolarHBondContact O-N 3.12Å; K66-G69 PolarHBondContact O-N 2.97Å; R67-G69 VanDerWaalsContact C-N 3.29Å
70I98Very high93.9Very high30 Ų3069.9 Ų69.915%0.15439%0.389CS..  trans-110.94.2-176.664.8172.6000113.2L32 Q38 A39 V40 A65 R68 H72L32-I70 HydrophobicContact CD1-CD1 4.33Å; L32-I70 HydrophobicContact CD2-CD1 4.37Å; Q38-I70 WeakPolarHBondContact O-CG2 3.39Å; A39-I70 WeakPolarHBondContact CA-O 3.27Å; V40-I70 HydrophobicContact CG2-CD1 4.27Å; V40-I70 HydrophobicContact CG2-CG1 4.45Å; V40-I70 PolarHBondContact N-O 2.73Å; A65-I70 HydrophobicContact CB-CG1 4.21Å; A65-I70 WeakPolarHBondContact O-CG1 3.18Å; A65-I70 PolarHBondContact O-N 3.28Å; R68-I70 VanDerWaalsContact C-N 3.31Å; R68-I70 HydrophobicContact CB-CD1 4.3Å; R68-I70 HydrophobicContact CB-CG1 4.02Å; R68-I70 HydrophobicContact CB-CG2 4.49Å; R68-I70 PolarHBondContact O-N 3.23Å; I70-H72 PolarHBondContact O-CD2 3.43Å
71Y97.4Very high94.1Very high36 Ų3667.7 Ų67.714%0.14138%0.377CS..EExtended strand (participates in β ladder)trans-84.7132.9176.7177.3-99.9000111.2V40 N42 F62 A65 K66 E73V40-Y71 HydrophobicContact CG1-CD2 4.13Å; V40-Y71 CarbonylContact O-C 3.57Å; V40-Y71 WeakPolarHBondContact O-CA 3.32Å; N42-Y71 HydrophobicContact CB-CE2 3.78Å; N42-Y71 PolarHBondContact ND2-OH 2.85Å; F62-Y71 HydrophobicContact CB-CD2 3.74Å; F62-Y71 HydrophobicContact CB-CE2 3.71Å; F62-Y71 HydrophobicContact CB-CG 4.46Å; F62-Y71 AromaticContact CD1-CD2 3.81Å; F62-Y71 HydrophobicContact CD1-CD2 3.81Å; F62-Y71 AromaticContact CD1-CE2 3.49Å; F62-Y71 HydrophobicContact CD1-CE2 3.49Å; F62-Y71 VanDerWaalsContact CD1-CE2 3.49Å; F62-Y71 AromaticContact CD2-CE2 3.86Å; F62-Y71 HydrophobicContact CD2-CE2 3.86Å; F62-Y71 HydrophobicContact CE1-CE2 4.04Å; F62-Y71 HydrophobicContact CE2-CE2 4.34Å; F62-Y71 AromaticContact CG-CD2 3.85Å; F62-Y71 HydrophobicContact CG-CD2 3.85Å; F62-Y71 AromaticContact CG-CE2 3.4Å; F62-Y71 HydrophobicContact CG-CE2 3.4Å; F62-Y71 HydrophobicContact CZ-CE2 4.43Å; A65-Y71 PolarHBondContact O-N 2.82Å; K66-Y71 HydrophobicContact CD-CD1 4.35Å; K66-Y71 HydrophobicContact CG-CD1 3.74Å; K66-Y71 HydrophobicContact CG-CG 3.76Å; Y71-E73 HydrophobicContact CE1-CG 3.5Å; Y71-E73 VanDerWaalsContact CE1-CG 3.5Å; Y71-E73 WeakPolarHBondContact OH-CG 3.44Å; Y71-E73 PolarHBondContact OH-OE1 3Å
72H95.9Very high94.2Very high92 Ų9271.7 Ų71.743%0.42640%0.402SS..EExtended strand (participates in β ladder)trans-137148175.3-50.4-73.3000111.2V40 I41 N42 I70V40-H72 PolarHBondContact O-N 3.13Å; I41-H72 WeakPolarHBondContact CA-O 3.4Å; I41-H72 HydrophobicContact CD1-CB 3.71Å; N42-H72 PolarHBondContact N-O 3.37Å; I70-H72 PolarHBondContact O-CD2 3.43Å
73E94.3Very high94.1Very high105 Ų10573.4 Ų73.449%0.49141%0.413SS..EExtended strand (participates in β ladder)trans-106.4142.2173.2-63.9-170.6152.600110.4N42 F44 Y71N42-E73 WeakPolarHBondContact O-CA 3.5Å; F44-E73 HydrophobicContact CB-CB 4.43Å; Y71-E73 HydrophobicContact CE1-CG 3.5Å; Y71-E73 VanDerWaalsContact CE1-CG 3.5Å; Y71-E73 WeakPolarHBondContact OH-CG 3.44Å; Y71-E73 PolarHBondContact OH-OE1 3Å
74V93.8Very high94Very high75 Ų7574.6 Ų74.646%0.45541%0.413SS..EExtended strand (participates in β ladder)trans-128.4123.4179.1173.50000109.3I41 N42 G43 F44I41-V74 HydrophobicContact CG2-CB 4.06Å; I41-V74 HydrophobicContact CG2-CG2 3.48Å; I41-V74 VanDerWaalsContact CG2-CG2 3.48Å; N42-V74 PolarHBondContact O-N 3.13Å; G43-V74 CarbonylContact C-O 3.58Å; G43-V74 WeakPolarHBondContact CA-O 3.16Å; F44-V74 PolarHBondContact N-O 2.96Å
75D91.9Very high94Very high110 Ų11077.5 Ų77.559%0.58843%0.428SS*.EExtended strand (participates in β ladder)trans-79123.6169.1-174.95.8000109.7F44 G77F44-D75 HydrophobicContact CB-CB 4.43Å; F44-D75 HydrophobicContact CD1-CB 4.46Å; D75-G77 VanDerWaalsContact C-N 3.28Å; D75-G77 PolarHBondContact OD1-N 3.08Å
76S90.9Very high94Very high90 Ų9081.3 Ų81.363%0.62945%0.448SS*.  trans-77.8-15.2176.370.10000113.2S78S76-S78 PolarHBondContact O-N 3.35Å; S76-S78 PolarHBondContact OG-N 3.29Å
77G91.4Very high94Very high69 Ų6981.7 Ų81.771%0.71145%0.454SS*.SBendtrans67.99.7-171.300000113.9D75D75-G77 VanDerWaalsContact C-N 3.28Å; D75-G77 PolarHBondContact OD1-N 3.08Å
78S90.4Very high94Very high62 Ų6280.2 Ų80.243%0.43445%0.448SS..  trans-114133.1-177.7-178.70000111S76 M80S76-S78 PolarHBondContact O-N 3.35Å; S76-S78 PolarHBondContact OG-N 3.29Å; S78-M80 WeakPolarHBondContact OG-CB 3.33Å; S78-M80 PolarHBondContact OG-N 2.75Å
79D90.4Very high94.1Very high122 Ų12281.4 Ų81.465%0.65246%0.46SS*.  trans-87.9-6172.966-15000113T81 L84D79-T81 WeakPolarHBondContact O-CG2 3.31Å; D79-T81 PolarHBondContact O-N 2.83Å; D79-L84 VanDerWaalsContact O-CD1 3.22Å; D79-L84 WeakPolarHBondContact O-CD1 3.46Å
80M91.3Very high94.1Very high79 Ų7982.8 Ų82.839%0.38945%0.452SS..  trans-62.8131.1-174-168.163.168.400112.7S78 I85S78-M80 WeakPolarHBondContact OG-CB 3.33Å; S78-M80 PolarHBondContact OG-N 2.75Å; M80-I85 HydrophobicContact CG-CD1 4.15Å; M80-I85 HydrophobicContact CG-CG1 4.26Å; M80-I85 HydrophobicContact SD-CD1 4.27Å; M80-I85 HydrophobicContact SD-CG1 3.72Å
81T91.4Very high94.1Very high18 Ų1886.1 Ų86.111%0.1147%0.467CS..  trans-132.1163.4176.575.10000112.3D79 D83 L84 I85D79-T81 WeakPolarHBondContact O-CG2 3.31Å; D79-T81 PolarHBondContact O-N 2.83Å; T81-D83 VanDerWaalsContact C-N 3.26Å; T81-D83 PolarHBondContact O-N 3.19Å; T81-D83 PolarHBondContact OG1-N 3.48Å; T81-L84 HydrophobicContact CG2-CD1 4.17Å; T81-L84 HydrophobicContact CG2-CG 4.45Å; T81-L84 PolarHBondContact O-N 3.03Å; T81-L84 WeakPolarHBondContact OG1-CG 3.17Å; T81-L84 PolarHBondContact OG1-N 3.3Å; T81-I85 VanDerWaalsContact O-CG1 3.27Å; T81-I85 WeakPolarHBondContact O-CG1 3.45Å; T81-I85 PolarHBondContact O-N 3.12Å
82T91.9Very high94.1Very high104 Ų10490.1 Ų90.164%0.63849%0.487SS*.Hα-helixtrans-56.1-42.7169.7-49.90000111.3I85 I86T82-I85 PolarHBondContact O-N 3.36Å; T82-I86 HydrophobicContact CG2-CD1 4.05Å; T82-I86 VanDerWaalsContact O-CG1 3.29Å; T82-I86 WeakPolarHBondContact O-CG1 3.29Å; T82-I86 PolarHBondContact O-N 3.26Å
83D91.3Very high94.2Very high78 Ų7893.6 Ų93.642%0.41750%0.496SS..Hα-helixtrans-64-44.9179.2-57.9-31.3000111.5T81 I85 I86 D87T81-D83 VanDerWaalsContact C-N 3.26Å; T81-D83 PolarHBondContact O-N 3.19Å; T81-D83 PolarHBondContact OG1-N 3.48Å; D83-I85 VanDerWaalsContact C-N 3.29Å; D83-I85 PolarHBondContact O-N 3.48Å; D83-I86 WeakPolarHBondContact O-CB 3.35Å; D83-I86 PolarHBondContact O-N 3.03Å; D83-I86 VanDerWaalsContact O-N 3.13Å; D83-D87 WeakPolarHBondContact O-CB 3.27Å; D83-D87 PolarHBondContact O-N 3.02Å
84L93.8Very high94.4Very high68 Ų6893.1 Ų93.136%0.35650%0.496SS..Hα-helixtrans-62.8-36.7176.5-71175.6000112D79 T81 R88D79-L84 VanDerWaalsContact O-CD1 3.22Å; D79-L84 WeakPolarHBondContact O-CD1 3.46Å; T81-L84 HydrophobicContact CG2-CD1 4.17Å; T81-L84 HydrophobicContact CG2-CG 4.45Å; T81-L84 PolarHBondContact O-N 3.03Å; T81-L84 WeakPolarHBondContact OG1-CG 3.17Å; T81-L84 PolarHBondContact OG1-N 3.3Å; L84-R88 WeakPolarHBondContact O-CB 3.49Å; L84-R88 WeakPolarHBondContact O-CD 3.38Å; L84-R88 WeakPolarHBondContact O-CG 3.25Å; L84-R88 PolarHBondContact O-N 2.98Å
85I95.6Very high94.6Very high80 Ų8094.1 Ų94.141%0.4150%0.496SS..Hα-helixtrans-65.5-44.2174.9-67.2164.6000110.1M80 T81 T82 D83 R88 I89M80-I85 HydrophobicContact CG-CD1 4.15Å; M80-I85 HydrophobicContact CG-CG1 4.26Å; M80-I85 HydrophobicContact SD-CD1 4.27Å; M80-I85 HydrophobicContact SD-CG1 3.72Å; T81-I85 VanDerWaalsContact O-CG1 3.27Å; T81-I85 WeakPolarHBondContact O-CG1 3.45Å; T81-I85 PolarHBondContact O-N 3.12Å; T82-I85 PolarHBondContact O-N 3.36Å; D83-I85 VanDerWaalsContact C-N 3.29Å; D83-I85 PolarHBondContact O-N 3.48Å; I85-R88 PolarHBondContact O-N 3.05Å; I85-I89 HydrophobicContact CG2-CD1 3.94Å; I85-I89 VanDerWaalsContact O-CG1 3.31Å; I85-I89 WeakPolarHBondContact O-CG1 3.46Å; I85-I89 PolarHBondContact O-N 3.28Å; I85-I89 VanDerWaalsContact O-N 3.08Å
86I95.8Very high94.9Very high80 Ų8095.2 Ų95.241%0.4149%0.493SS..Hα-helixtrans-60.2-50.4176.8-69.9164.3000110.3T82 D83 R88 I89 I90T82-I86 HydrophobicContact CG2-CD1 4.05Å; T82-I86 VanDerWaalsContact O-CG1 3.29Å; T82-I86 WeakPolarHBondContact O-CG1 3.29Å; T82-I86 PolarHBondContact O-N 3.26Å; D83-I86 WeakPolarHBondContact O-CB 3.35Å; D83-I86 PolarHBondContact O-N 3.03Å; D83-I86 VanDerWaalsContact O-N 3.13Å; I86-R88 VanDerWaalsContact C-N 3.31Å; I86-R88 PolarHBondContact O-N 3.04Å; I86-I89 PolarHBondContact O-N 3.11Å; I86-I89 VanDerWaalsContact O-N 3.14Å; I86-I90 HydrophobicContact CG2-CD1 3.7Å; I86-I90 HydrophobicContact CG2-CG1 4.42Å; I86-I90 WeakPolarHBondContact O-CG1 3.4Å; I86-I90 PolarHBondContact O-N 2.86Å
87D96.6Very high95.2Very high97 Ų9793.8 Ų93.852%0.51948%0.476SS..Hα-helixtrans-58.2-44.3-179.9-72.8-18.6000111.5D83 I89 I90 H91D83-D87 WeakPolarHBondContact O-CB 3.27Å; D83-D87 PolarHBondContact O-N 3.02Å; D87-I89 PolarHBondContact O-N 3.48Å; D87-I90 PolarHBondContact O-N 3.03Å; D87-H91 VanDerWaalsContact O-CB 3.25Å; D87-H91 WeakPolarHBondContact O-CB 3.06Å; D87-H91 PolarHBondContact O-N 2.98Å
88R97.6Very high95.5Very high143 Ų14393.9 Ų93.954%0.5446%0.463SS..Hα-helixtrans-59.5-44.3176.1-78.4171.1165.9-160.6-1.7112.5L84 I85 I86 H91 H92L84-R88 WeakPolarHBondContact O-CB 3.49Å; L84-R88 WeakPolarHBondContact O-CD 3.38Å; L84-R88 WeakPolarHBondContact O-CG 3.25Å; L84-R88 PolarHBondContact O-N 2.98Å; I85-R88 PolarHBondContact O-N 3.05Å; I86-R88 VanDerWaalsContact C-N 3.31Å; I86-R88 PolarHBondContact O-N 3.04Å; R88-H91 PolarHBondContact O-N 3.45Å; R88-H92 PolarHBondContact O-N 3.4Å
89I98Very high95.8Very high112 Ų11298.9 Ų98.957%0.57447%0.472SS*.Hα-helixtrans-65.4-45.5179.7-69.1166.4000110.5I85 I86 D87 H91 R93I85-I89 HydrophobicContact CG2-CD1 3.94Å; I85-I89 VanDerWaalsContact O-CG1 3.31Å; I85-I89 WeakPolarHBondContact O-CG1 3.46Å; I85-I89 PolarHBondContact O-N 3.28Å; I85-I89 VanDerWaalsContact O-N 3.08Å; I86-I89 PolarHBondContact O-N 3.11Å; I86-I89 VanDerWaalsContact O-N 3.14Å; D87-I89 PolarHBondContact O-N 3.48Å; I89-H91 VanDerWaalsContact C-N 3.35Å; I89-R93 WeakPolarHBondContact O-CB 3.47Å; I89-R93 PolarHBondContact O-N 3.41Å
90I97.9Very high96.1Very high88 Ų8895.2 Ų95.245%0.45145%0.453SS..Hα-helixtrans-62.4-45.4178.7-67.3171.9000110.2I86 D87 R93 L94I86-I90 HydrophobicContact CG2-CD1 3.7Å; I86-I90 HydrophobicContact CG2-CG1 4.42Å; I86-I90 WeakPolarHBondContact O-CG1 3.4Å; I86-I90 PolarHBondContact O-N 2.86Å; D87-I90 PolarHBondContact O-N 3.03Å; I90-R93 WeakPolarHBondContact O-CB 3.42Å; I90-R93 PolarHBondContact O-N 3.41Å; I90-L94 HydrophobicContact CG2-CD1 4.13Å; I90-L94 WeakPolarHBondContact O-CG 3.38Å; I90-L94 PolarHBondContact O-N 3.36Å
91H98.1Very high96.4Very high101 Ų10198 Ų9847%0.46846%0.463SS..Hα-helixtrans-57.9-53.7178.9-175.873.1000111.8D87 R88 I89 R93 L94 E95D87-H91 VanDerWaalsContact O-CB 3.25Å; D87-H91 WeakPolarHBondContact O-CB 3.06Å; D87-H91 PolarHBondContact O-N 2.98Å; R88-H91 PolarHBondContact O-N 3.45Å; I89-H91 VanDerWaalsContact C-N 3.35Å; H91-R93 VanDerWaalsContact C-N 3.27Å; H91-R93 PolarHBondContact O-N 3.5Å; H91-L94 PolarHBondContact O-N 3.14Å; H91-L94 VanDerWaalsContact O-N 3.11Å; H91-E95 IonicContact CE1-OE1 3.84Å; H91-E95 IonicContact NE2-OE1 3.81Å; H91-E95 PolarHBondContact NE2-OE1 3.5Å; H91-E95 WeakPolarHBondContact O-CG 3.34Å; H91-E95 PolarHBondContact O-N 2.72Å
92H98.1Very high96.6Very high120 Ų120104.2 Ų104.256%0.55649%0.488SS*.Hα-helixtrans-61.1-34.9178.8-69.5161.3000112.9R88 E95 Y96R88-H92 PolarHBondContact O-N 3.4Å; H92-E95 IonicContact CD2-OE2 2.7Å; H92-Y96 WeakPolarHBondContact O-CB 3.45Å; H92-Y96 PolarHBondContact O-N 3.08Å
93R98.1Very high96.8Very high165 Ų165105.2 Ų105.262%0.62348%0.484SS*.Hα-helixtrans-62-46.8174.2178-179.1170.9176.2-0.2111.5I89 I90 H91 E95 Y96 E97I89-R93 WeakPolarHBondContact O-CB 3.47Å; I89-R93 PolarHBondContact O-N 3.41Å; I90-R93 WeakPolarHBondContact O-CB 3.42Å; I90-R93 PolarHBondContact O-N 3.41Å; H91-R93 VanDerWaalsContact C-N 3.27Å; H91-R93 PolarHBondContact O-N 3.5Å; R93-E95 VanDerWaalsContact C-N 3.34Å; R93-E95 PolarHBondContact O-N 2.96Å; R93-Y96 PolarHBondContact O-N 2.98Å; R93-E97 HydrophobicContact CG-CG 4.49Å; R93-E97 IonicContact CZ-OE1 3.54Å; R93-E97 IonicContact NE-OE1 3.28Å; R93-E97 PolarHBondContact NE-OE1 2.81Å; R93-E97 IonicContact NH2-OE1 3.34Å; R93-E97 PolarHBondContact NH2-OE1 2.97Å; R93-E97 WeakPolarHBondContact O-CG 3.46Å; R93-E97 PolarHBondContact O-N 3.44Å
94L98Very high97Very high94 Ų94107.3 Ų107.349%0.49249%0.491SS..Hα-helixtrans-64.6-39.1179.9-68.7172.6000112.1I90 H91 T98I90-L94 HydrophobicContact CG2-CD1 4.13Å; I90-L94 WeakPolarHBondContact O-CG 3.38Å; I90-L94 PolarHBondContact O-N 3.36Å; H91-L94 PolarHBondContact O-N 3.14Å; H91-L94 VanDerWaalsContact O-N 3.11Å; L94-T98 WeakPolarHBondContact O-CB 3.34Å; L94-T98 PolarHBondContact O-N 3.16Å; L94-T98 PolarHBondContact O-OG1 2.94Å
95E97.9Very high97.1Very high96 Ų96110.8 Ų110.845%0.44950%0.503SS..Hα-helixtrans-61.7-47.7173.7-68.8-171.713800111.3H91 H92 R93 E97 T98 R99H91-E95 IonicContact CE1-OE1 3.84Å; H91-E95 IonicContact NE2-OE1 3.81Å; H91-E95 PolarHBondContact NE2-OE1 3.5Å; H91-E95 WeakPolarHBondContact O-CG 3.34Å; H91-E95 PolarHBondContact O-N 2.72Å; H92-E95 IonicContact CD2-OE2 2.7Å; R93-E95 VanDerWaalsContact C-N 3.34Å; R93-E95 PolarHBondContact O-N 2.96Å; E95-E97 PolarHBondContact O-N 3.29Å; E95-T98 PolarHBondContact O-N 3.38Å; E95-R99 WeakPolarHBondContact O-CG 3.38Å; E95-R99 PolarHBondContact O-N 3.29Å
96Y97.7Very high97Very high133 Ų133114.1 Ų114.152%0.52252%0.515SS..Hα-helixtrans-57.6-50.4177.1176-97.9000111.8H92 R93 T98 R99 N100H92-Y96 WeakPolarHBondContact O-CB 3.45Å; H92-Y96 PolarHBondContact O-N 3.08Å; R93-Y96 PolarHBondContact O-N 2.98Å; Y96-T98 VanDerWaalsContact C-N 3.31Å; Y96-T98 PolarHBondContact O-N 3.28Å; Y96-R99 PolarHBondContact O-N 3.48Å; Y96-N100 VanDerWaalsContact CE1-ND2 3.31Å; Y96-N100 WeakPolarHBondContact CE1-ND2 3.41Å; Y96-N100 PolarHBondContact O-N 3.03Å; Y96-N100 PolarHBondContact OH-ND2 3.01Å
97E97.6Very high96.9Very high61 Ų61115.5 Ų115.529%0.28552%0.519SS..Hα-helixtrans-59.9-41.2178.2-72.3179.1-171.300111.8R93 E95 N100 K101R93-E97 HydrophobicContact CG-CG 4.49Å; R93-E97 IonicContact CZ-OE1 3.54Å; R93-E97 IonicContact NE-OE1 3.28Å; R93-E97 PolarHBondContact NE-OE1 2.81Å; R93-E97 IonicContact NH2-OE1 3.34Å; R93-E97 PolarHBondContact NH2-OE1 2.97Å; R93-E97 WeakPolarHBondContact O-CG 3.46Å; R93-E97 PolarHBondContact O-N 3.44Å; E95-E97 PolarHBondContact O-N 3.29Å; E97-N100 PolarHBondContact O-N 3.08Å; E97-K101 WeakPolarHBondContact O-CG 3.34Å; E97-K101 PolarHBondContact O-N 3.28Å
98T97.6Very high96.7Very high70 Ų70113 Ų11343%0.42951%0.512SS..Hα-helixtrans-65.4-42.6179-62.10000112.1L94 E95 Y96 K102L94-T98 WeakPolarHBondContact O-CB 3.34Å; L94-T98 PolarHBondContact O-N 3.16Å; L94-T98 PolarHBondContact O-OG1 2.94Å; E95-T98 PolarHBondContact O-N 3.38Å; Y96-T98 VanDerWaalsContact C-N 3.31Å; Y96-T98 PolarHBondContact O-N 3.28Å; T98-K102 HydrophobicContact CG2-CD 4.44Å; T98-K102 WeakPolarHBondContact O-CG 3.46Å; T98-K102 PolarHBondContact O-N 3.5Å; T98-K102 VanDerWaalsContact O-N 3.16Å
99R97.2Very high96.4Very high167 Ų167110.1 Ų110.163%0.6351%0.508SS*.Hα-helixtrans-65.1-42.9177-68.8-175.4-25.1154.811.5111.6E95 Y96 K102 K103E95-R99 WeakPolarHBondContact O-CG 3.38Å; E95-R99 PolarHBondContact O-N 3.29Å; Y96-R99 PolarHBondContact O-N 3.48Å; R99-K102 PolarHBondContact O-N 3.01Å; R99-K103 PolarHBondContact O-N 2.84Å
100N97.4Very high96.1Very high45 Ų45108.2 Ų108.224%0.24150%0.501CS..Hα-helixtrans-65.3-45.3179.8-77.213000111.5Y96 E97 K102 K103 E104Y96-N100 VanDerWaalsContact CE1-ND2 3.31Å; Y96-N100 WeakPolarHBondContact CE1-ND2 3.41Å; Y96-N100 PolarHBondContact O-N 3.03Å; Y96-N100 PolarHBondContact OH-ND2 3.01Å; E97-N100 PolarHBondContact O-N 3.08Å; N100-K102 VanDerWaalsContact C-N 3.28Å; N100-K102 PolarHBondContact O-N 2.85Å; N100-K103 WeakPolarHBondContact O-CB 3.42Å; N100-K103 PolarHBondContact O-N 3.14Å; N100-E104 WeakPolarHBondContact O-CB 2.83Å; N100-E104 WeakPolarHBondContact O-CG 3.31Å; N100-E104 PolarHBondContact O-N 3.43Å
101K97Very high95.8Very high138 Ų138105.1 Ų105.160%0.649%0.488SS*.Hα-helixtrans-56.8-40.8174.6-73.8174-176.6173.40112.5E97 K105E97-K101 WeakPolarHBondContact O-CG 3.34Å; E97-K101 PolarHBondContact O-N 3.28Å; K101-K105 WeakPolarHBondContact O-CB 3.42Å; K101-K105 PolarHBondContact O-N 3.31Å
102K96.3Very high95.4Very high149 Ų149106.8 Ų106.865%0.64849%0.494SS*.Hα-helixtrans-64.4-41.5175.4-75.7174.6179.4179.20111.8T98 R99 N100 K106T98-K102 HydrophobicContact CG2-CD 4.44Å; T98-K102 WeakPolarHBondContact O-CG 3.46Å; T98-K102 PolarHBondContact O-N 3.5Å; T98-K102 VanDerWaalsContact O-N 3.16Å; R99-K102 PolarHBondContact O-N 3.01Å; N100-K102 VanDerWaalsContact C-N 3.28Å; N100-K102 PolarHBondContact O-N 2.85Å; K102-K106 WeakPolarHBondContact O-CB 3.28Å; K102-K106 PolarHBondContact O-N 3.32Å; K102-K106 VanDerWaalsContact O-N 3.08Å
103K95.7Very high94.9Very high124 Ų124105.1 Ų105.154%0.53950%0.501SS..Hα-helixtrans-67.1-48.7178.4-174.9177.7169.9-177.10111.5R99 N100 K105 K106 E107R99-K103 PolarHBondContact O-N 2.84Å; N100-K103 WeakPolarHBondContact O-CB 3.42Å; N100-K103 PolarHBondContact O-N 3.14Å; K103-K105 VanDerWaalsContact C-N 3.35Å; K103-K105 PolarHBondContact O-N 3.47Å; K103-K106 WeakPolarHBondContact O-CB 3.49Å; K103-K106 PolarHBondContact O-N 3.34Å; K103-K106 VanDerWaalsContact O-N 3.14Å; K103-E107 WeakPolarHBondContact CE-OE1 3.4Å; K103-E107 HydrophobicContact CG-CG 4.49Å; K103-E107 IonicContact NZ-OE1 3.73Å; K103-E107 WeakPolarHBondContact O-CG 3.49Å; K103-E107 PolarHBondContact O-N 3.34Å
104E95.8Very high94.3Very high122 Ų122103.1 Ų103.157%0.5750%0.501SS*.Hα-helixtrans-58.5-44.9177-73170-172.800111.7N100 K106 E107 A108N100-E104 WeakPolarHBondContact O-CB 2.83Å; N100-E104 WeakPolarHBondContact O-CG 3.31Å; N100-E104 PolarHBondContact O-N 3.43Å; E104-K106 PolarHBondContact O-N 3.07Å; E104-E107 PolarHBondContact O-N 3.46Å; E104-A108 WeakPolarHBondContact O-CB 3.43Å; E104-A108 PolarHBondContact O-N 3.01Å
105K94.9Very high93.5Very high141 Ų141105.8 Ų105.861%0.61352%0.515SS*.Hα-helixtrans-59.3-47.2174.6-176.8177.2178-178.50111.3K101 K103 E107 A108 D109K101-K105 WeakPolarHBondContact O-CB 3.42Å; K101-K105 PolarHBondContact O-N 3.31Å; K103-K105 VanDerWaalsContact C-N 3.35Å; K103-K105 PolarHBondContact O-N 3.47Å; K105-E107 VanDerWaalsContact C-N 3.35Å; K105-E107 PolarHBondContact O-N 2.81Å; K105-A108 PolarHBondContact O-N 3.03Å; K105-D109 WeakPolarHBondContact O-CB 3.44Å; K105-D109 PolarHBondContact O-N 3Å
106K94Very high91.9Very high151 Ų151107.4 Ų107.466%0.65753%0.526SS*.Hα-helixtrans-61-42.7178.3-175.6178.8178.5-178.60111.8K102 K103 E104 D109 V110K102-K106 WeakPolarHBondContact O-CB 3.28Å; K102-K106 PolarHBondContact O-N 3.32Å; K102-K106 VanDerWaalsContact O-N 3.08Å; K103-K106 WeakPolarHBondContact O-CB 3.49Å; K103-K106 PolarHBondContact O-N 3.34Å; K103-K106 VanDerWaalsContact O-N 3.14Å; E104-K106 PolarHBondContact O-N 3.07Å; K106-D109 PolarHBondContact O-N 2.92Å; K106-V110 VanDerWaalsContact O-CG2 3.28Å; K106-V110 WeakPolarHBondContact O-CG2 3.36Å; K106-V110 PolarHBondContact O-N 3.43Å
107E93.4Very high90Very high108 Ų108110 Ų11051%0.50555%0.548SS..Hα-helixtrans-67.5-40.5178.1-72.6176.6-179.800111.9K103 E104 K105 V110 A111K103-E107 WeakPolarHBondContact CE-OE1 3.4Å; K103-E107 HydrophobicContact CG-CG 4.49Å; K103-E107 IonicContact NZ-OE1 3.73Å; K103-E107 WeakPolarHBondContact O-CG 3.49Å; K103-E107 PolarHBondContact O-N 3.34Å; E104-E107 PolarHBondContact O-N 3.46Å; K105-E107 VanDerWaalsContact C-N 3.35Å; K105-E107 PolarHBondContact O-N 2.81Å; E107-V110 PolarHBondContact O-N 2.87Å; E107-A111 WeakPolarHBondContact O-CB 3.32Å; E107-A111 PolarHBondContact O-N 3.49Å
108A91.9Very high89.6Confident44 Ų44112.5 Ų112.536%0.36456%0.561SS.*Hα-helixtrans-64.1-41.1174.900000112.3E104 K105 V110 A111 K112E104-A108 WeakPolarHBondContact O-CB 3.43Å; E104-A108 PolarHBondContact O-N 3.01Å; K105-A108 PolarHBondContact O-N 3.03Å; A108-V110 VanDerWaalsContact C-N 3.35Å; A108-A111 PolarHBondContact O-N 2.86Å; A108-K112 WeakPolarHBondContact O-CG 3.4Å; A108-K112 PolarHBondContact O-N 3.35Å
109D92.3Very high89.2Confident83 Ų83114.7 Ų114.744%0.44457%0.568SS.*Hα-helixtrans-64.4-40.1176.5-68.3-20.9000110.9K105 K106 A113K105-D109 WeakPolarHBondContact O-CB 3.44Å; K105-D109 PolarHBondContact O-N 3Å; K106-D109 PolarHBondContact O-N 2.92Å; D109-A113 WeakPolarHBondContact O-CB 3.33Å; D109-A113 PolarHBondContact O-N 3.17Å; D109-A113 VanDerWaalsContact O-N 3.07Å
110V92.1Very high88.7Confident73 Ų73111.8 Ų111.844%0.44256%0.564SS.*Hα-helixtrans-66.3-44.7174.4170.60000111.6K106 E107 A108 K112 A113 M114K106-V110 VanDerWaalsContact O-CG2 3.28Å; K106-V110 WeakPolarHBondContact O-CG2 3.36Å; K106-V110 PolarHBondContact O-N 3.43Å; E107-V110 PolarHBondContact O-N 2.87Å; A108-V110 VanDerWaalsContact C-N 3.35Å; V110-K112 VanDerWaalsContact C-N 3.34Å; V110-K112 PolarHBondContact O-N 3.4Å; V110-A113 PolarHBondContact O-N 3.34Å; V110-M114 HydrophobicContact CG1-CG 4.41Å; V110-M114 HydrophobicContact CG1-SD 3.82Å; V110-M114 WeakPolarHBondContact O-CG 3.38Å; V110-M114 PolarHBondContact O-N 3.05Å
111A90.4Very high88.2Confident22 Ų22115.8 Ų115.818%0.18258%0.583CS.*Hα-helixtrans-60.7-42.4179.800000112.2E107 A108 M114 N115 L116 I117E107-A111 WeakPolarHBondContact O-CB 3.32Å; E107-A111 PolarHBondContact O-N 3.49Å; A108-A111 PolarHBondContact O-N 2.86Å; A111-M114 PolarHBondContact O-N 3.26Å; A111-N115 PolarHBondContact O-N 3.05Å; A111-L116 PolarHBondContact O-N 3.18Å; A111-I117 HydrophobicContact CB-CD1 4.13Å; A111-I117 HydrophobicContact CB-CG1 4.31Å
112K89.6Confident87.6Confident136 Ų136114.4 Ų114.459%0.59158%0.582SS**Hα-helixtrans-62.5-44.4172.9-73.8175.8-177.5176.60112.1A108 V110 M114 N115A108-K112 WeakPolarHBondContact O-CG 3.4Å; A108-K112 PolarHBondContact O-N 3.35Å; V110-K112 VanDerWaalsContact C-N 3.34Å; V110-K112 PolarHBondContact O-N 3.4Å; K112-M114 PolarHBondContact O-N 3.3Å; K112-N115 PolarHBondContact O-N 3.19Å
113A88.1Confident87.1Confident85 Ų85112.1 Ų112.170%0.70258%0.578SS**Hα-helixtrans-64.6-24.1178.800000113.1D109 V110D109-A113 WeakPolarHBondContact O-CB 3.33Å; D109-A113 PolarHBondContact O-N 3.17Å; D109-A113 VanDerWaalsContact O-N 3.07Å; V110-A113 PolarHBondContact O-N 3.34Å
114M86.1Confident86.5Confident124 Ų124111.2 Ų111.261%0.61158%0.581SS**THydrogen-bonded Turntrans-94.96.6178.1-67.2-177.773.800113.9V110 A111 K112 L116V110-M114 HydrophobicContact CG1-CG 4.41Å; V110-M114 HydrophobicContact CG1-SD 3.82Å; V110-M114 WeakPolarHBondContact O-CG 3.38Å; V110-M114 PolarHBondContact O-N 3.05Å; A111-M114 PolarHBondContact O-N 3.26Å; K112-M114 PolarHBondContact O-N 3.3Å; M114-L116 HydrophobicContact CB-CD1 3.75Å; M114-L116 HydrophobicContact CB-CG 4.47Å; M114-L116 HydrophobicContact CE-CD1 4.15Å; M114-L116 PolarHBondContact O-N 3.12Å; M114-L116 VanDerWaalsContact O-N 3.12Å; M114-L116 HydrophobicContact SD-CD1 4.36Å
115N80.6Confident85.7Confident150 Ų150110.4 Ų110.480%0.80258%0.581SS**THydrogen-bonded Turntrans52.127.9-176.2-76.7-2.1000114.2A111 K112 I117A111-N115 PolarHBondContact O-N 3.05Å; K112-N115 PolarHBondContact O-N 3.19Å; N115-I117 VanDerWaalsContact C-N 3.28Å
116L65.1Low85Confident129 Ų129107.8 Ų107.868%0.67558%0.579SS**  trans-81.7-11.4176.9-85.6147.1000112.4A111 M114A111-L116 PolarHBondContact O-N 3.18Å; M114-L116 HydrophobicContact CB-CD1 3.75Å; M114-L116 HydrophobicContact CB-CG 4.47Å; M114-L116 HydrophobicContact CE-CD1 4.15Å; M114-L116 PolarHBondContact O-N 3.12Å; M114-L116 VanDerWaalsContact O-N 3.12Å; M114-L116 HydrophobicContact SD-CD1 4.36Å
117I56Low84.2Confident189 Ų189103.9 Ų103.997%0.96957%0.572SS**  trans-154.30172.2-19.7172.1000109.1A111 N115A111-I117 HydrophobicContact CB-CD1 4.13Å; A111-I117 HydrophobicContact CB-CG1 4.31Å; N115-I117 VanDerWaalsContact C-N 3.28Å

Retrieved 117 of 117 residues in 33.4 ms (Link to these results)

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