C4Q726_SCHMA Loading...

Nefa_Nip30_N domain-containing protein

AlphaFold DB , UniProt , Accession C4Q726, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 245 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M71.2Confident83.9Confident228 Ų228126.9 Ų126.9100%1.12365%0.646SS**  0125.20-72.6-172.6131.300108.1K3M1-K3 PolarHBondContact O-N 3.5Å
2P78.7Confident84.1Confident112 Ų112120.4 Ų120.473%0.72763%0.626SS**  trans-55.6126170.2-17.329.1000108.7F4P2-F4 PolarHBondContact O-N 3.32Å
3K82.6Confident84Confident206 Ų206122.9 Ų122.990%0.89662%0.623SS**  trans-78.3114.4173.7-73.4-179.4178.7175.60107.4M1 I5M1-K3 PolarHBondContact O-N 3.5Å; K3-I5 PolarHBondContact O-N 3.41Å
4F84.9Confident83.9Confident193 Ų193124.4 Ų124.485%0.84662%0.622SS**PPolyproline II helixtrans-68126169.2-62.9-79.7000108.1P2P2-F4 PolarHBondContact O-N 3.32Å
5I85.6Confident83.7Confident101 Ų101126.5 Ų126.552%0.51863%0.627SS.*PPolyproline II helixtrans-66.4130.2165.741.7159.9000108K3 V10K3-I5 PolarHBondContact O-N 3.41Å; I5-V10 HydrophobicContact CD1-CG2 3.7Å; I5-V10 HydrophobicContact CG1-CG2 4.47Å
6S86.5Confident83.6Confident52 Ų52124.5 Ų124.536%0.36462%0.617SS.*PPolyproline II helixtrans-79.4158.7173.468.80000110.4V8 D9 V10S6-V8 PolarHBondContact O-N 2.82Å; S6-D9 WeakPolarHBondContact CB-OD2 3.24Å; S6-D9 PolarHBondContact N-OD2 3.04Å; S6-D9 WeakPolarHBondContact O-CA 3.49Å; S6-D9 WeakPolarHBondContact O-CB 3.4Å; S6-D9 PolarHBondContact O-N 3.1Å; S6-D9 PolarHBondContact OG-N 2.88Å; S6-D9 PolarHBondContact OG-OD2 3.02Å; S6-V10 PolarHBondContact O-N 3.26Å; S6-V10 VanDerWaalsContact O-N 3.07Å
7E87.7Confident83.3Confident136 Ų136121.9 Ų121.964%0.63660%0.603SS**Hα-helixtrans-53-37.1173.9-16864.1-154.900111.5D9 V10 E11E7-D9 VanDerWaalsContact C-N 3.32Å; E7-D9 PolarHBondContact O-N 3.08Å; E7-V10 WeakPolarHBondContact O-CB 3.3Å; E7-V10 PolarHBondContact O-N 3.47Å; E7-V10 VanDerWaalsContact O-N 3.15Å; E7-E11 PolarHBondContact O-N 3.45Å
8V88.5Confident83Confident107 Ų107123.2 Ų123.265%0.64861%0.607SS**Hα-helixtrans-61.6-40.1175.8-177.90000111.4S6 V10 A12S6-V8 PolarHBondContact O-N 2.82Å; V8-V10 VanDerWaalsContact C-N 3.34Å; V8-A12 WeakPolarHBondContact O-CB 3.49Å; V8-A12 PolarHBondContact O-N 2.91Å
9D88.9Confident82.8Confident76 Ų76121.4 Ų121.441%0.40661%0.614SS.*Hα-helixtrans-69-34.5176.8-59.1-52.2000111.7S6 E7 R13S6-D9 WeakPolarHBondContact CB-OD2 3.24Å; S6-D9 PolarHBondContact N-OD2 3.04Å; S6-D9 WeakPolarHBondContact O-CA 3.49Å; S6-D9 WeakPolarHBondContact O-CB 3.4Å; S6-D9 PolarHBondContact O-N 3.1Å; S6-D9 PolarHBondContact OG-N 2.88Å; S6-D9 PolarHBondContact OG-OD2 3.02Å; E7-D9 VanDerWaalsContact C-N 3.32Å; E7-D9 PolarHBondContact O-N 3.08Å; D9-R13 VanDerWaalsContact O-CG 3.31Å; D9-R13 WeakPolarHBondContact O-CG 3.27Å; D9-R13 PolarHBondContact O-N 3.04Å; D9-R13 VanDerWaalsContact O-N 3.1Å
10V84.5Confident82.6Confident59 Ų59122.2 Ų122.236%0.35862%0.615SS.*Hα-helixtrans-67.1-48.3176.6175.90000110.7I5 S6 E7 V8 A12 R13 K14I5-V10 HydrophobicContact CD1-CG2 3.7Å; I5-V10 HydrophobicContact CG1-CG2 4.47Å; S6-V10 PolarHBondContact O-N 3.26Å; S6-V10 VanDerWaalsContact O-N 3.07Å; E7-V10 WeakPolarHBondContact O-CB 3.3Å; E7-V10 PolarHBondContact O-N 3.47Å; E7-V10 VanDerWaalsContact O-N 3.15Å; V8-V10 VanDerWaalsContact C-N 3.34Å; V10-A12 PolarHBondContact O-N 3.15Å; V10-R13 PolarHBondContact O-N 3.07Å; V10-K14 PolarHBondContact O-N 3.39Å
11E83.9Confident81.9Confident126 Ų126118.9 Ų118.959%0.58961%0.613SS**Hα-helixtrans-63.4-41.1177.5-72-169.6163.200112.2E7 R13 K14 K15E7-E11 PolarHBondContact O-N 3.45Å; E11-R13 VanDerWaalsContact C-N 3.31Å; E11-R13 PolarHBondContact O-N 3.21Å; E11-K14 PolarHBondContact O-N 3.4Å; E11-K15 WeakPolarHBondContact O-CB 3.4Å; E11-K15 PolarHBondContact O-N 2.97Å
12A86.8Confident81.8Confident49 Ų49112.4 Ų112.441%0.40558%0.582SS.*Hα-helixtrans-60.1-42.1175.800000111.5V8 V10 K15 I16V8-A12 WeakPolarHBondContact O-CB 3.49Å; V8-A12 PolarHBondContact O-N 2.91Å; V10-A12 PolarHBondContact O-N 3.15Å; A12-K15 PolarHBondContact O-N 3.34Å; A12-I16 WeakPolarHBondContact O-CD1 3.41Å; A12-I16 VanDerWaalsContact O-CG1 3.26Å; A12-I16 WeakPolarHBondContact O-CG1 3.38Å; A12-I16 PolarHBondContact O-N 3.21Å
13R82.8Confident81.3Confident153 Ų153113.1 Ų113.158%0.57758%0.583SS**Hα-helixtrans-65.4-43.2175.3-76.4178.1179.4-167.10.2112.6D9 V10 E11 K15 I16 Q17D9-R13 VanDerWaalsContact O-CG 3.31Å; D9-R13 WeakPolarHBondContact O-CG 3.27Å; D9-R13 PolarHBondContact O-N 3.04Å; D9-R13 VanDerWaalsContact O-N 3.1Å; V10-R13 PolarHBondContact O-N 3.07Å; E11-R13 VanDerWaalsContact C-N 3.31Å; E11-R13 PolarHBondContact O-N 3.21Å; R13-K15 VanDerWaalsContact C-N 3.3Å; R13-K15 PolarHBondContact O-N 3.15Å; R13-I16 PolarHBondContact O-N 3.45Å; R13-Q17 WeakPolarHBondContact O-CG 3.5Å; R13-Q17 PolarHBondContact O-N 2.83Å
14K81.8Confident80.7Confident143 Ų143111 Ų11162%0.62258%0.576SS**Hα-helixtrans-60.3-41.8176.4-174178.8177.6-178.30111.3V10 E11 I16 Q17 E18V10-K14 PolarHBondContact O-N 3.39Å; E11-K14 PolarHBondContact O-N 3.4Å; K14-I16 PolarHBondContact O-N 3.2Å; K14-Q17 PolarHBondContact O-N 3.45Å; K14-E18 WeakPolarHBondContact O-CB 3.46Å; K14-E18 PolarHBondContact O-N 3.46Å
15K81.7Confident80.3Confident157 Ų157104.4 Ų104.468%0.68356%0.558SS**Hα-helixtrans-65.9-36.6177.2-169.4172.7-173.8174.70112.8E11 A12 R13 A19E11-K15 WeakPolarHBondContact O-CB 3.4Å; E11-K15 PolarHBondContact O-N 2.97Å; A12-K15 PolarHBondContact O-N 3.34Å; R13-K15 VanDerWaalsContact C-N 3.3Å; R13-K15 PolarHBondContact O-N 3.15Å; K15-A19 WeakPolarHBondContact O-CB 3.37Å; K15-A19 PolarHBondContact O-N 2.96Å
16I82.3Confident80.1Confident94 Ų94105.2 Ų105.248%0.48257%0.57SS.*Hα-helixtrans-66.5-46.5173.4-67.5162.9000110A12 R13 K14 E18 A19 E20A12-I16 WeakPolarHBondContact O-CD1 3.41Å; A12-I16 VanDerWaalsContact O-CG1 3.26Å; A12-I16 WeakPolarHBondContact O-CG1 3.38Å; A12-I16 PolarHBondContact O-N 3.21Å; R13-I16 PolarHBondContact O-N 3.45Å; K14-I16 PolarHBondContact O-N 3.2Å; I16-E18 VanDerWaalsContact C-N 3.33Å; I16-E18 PolarHBondContact O-N 3.26Å; I16-A19 PolarHBondContact O-N 2.88Å; I16-E20 HydrophobicContact CG2-CG 4.39Å; I16-E20 WeakPolarHBondContact O-CB 3.3Å; I16-E20 WeakPolarHBondContact O-CG 3.28Å; I16-E20 PolarHBondContact O-N 2.96Å
17Q78Confident79.9Confident81 Ų81113 Ų11338%0.37959%0.593SS.*Hα-helixtrans-60.1-42.2176.8-76.6-179.2-400112.3R13 K14 E20 G21 I22R13-Q17 WeakPolarHBondContact O-CG 3.5Å; R13-Q17 PolarHBondContact O-N 2.83Å; K14-Q17 PolarHBondContact O-N 3.45Å; Q17-E20 CarbonylContact O-C 3.59Å; Q17-E20 PolarHBondContact O-N 3.24Å; Q17-G21 PolarHBondContact O-N 3.39Å; Q17-G21 VanDerWaalsContact O-N 3.08Å; Q17-I22 HydrophobicContact CB-CB 4.14Å; Q17-I22 HydrophobicContact CG-CD1 4.47Å; Q17-I22 PolarHBondContact O-N 3.07Å
18E78.6Confident79.9Confident144 Ų144108.3 Ų108.367%0.67357%0.572SS**Hα-helixtrans-64.4-39.6176-171.9171.7-164.200111.8K14 I16 G21K14-E18 WeakPolarHBondContact O-CB 3.46Å; K14-E18 PolarHBondContact O-N 3.46Å; I16-E18 VanDerWaalsContact C-N 3.33Å; I16-E18 PolarHBondContact O-N 3.26Å; E18-G21 PolarHBondContact O-N 3.2Å; E18-G21 VanDerWaalsContact O-N 3.16Å
19A79.2Confident80.1Confident89 Ų89107.7 Ų107.774%0.73658%0.578SS**Hα-helixtrans-68.6-32.1174.500000113.1K15 I16 G21K15-A19 WeakPolarHBondContact O-CB 3.37Å; K15-A19 PolarHBondContact O-N 2.96Å; I16-A19 PolarHBondContact O-N 2.88Å; A19-G21 PolarHBondContact O-N 3.44Å
20E77.2Confident80.2Confident137 Ų137109.9 Ų109.964%0.6458%0.581SS**THydrogen-bonded Turntrans-80.20.3173.1-70.6178.9172.300112.7I16 Q17 I22I16-E20 HydrophobicContact CG2-CG 4.39Å; I16-E20 WeakPolarHBondContact O-CB 3.3Å; I16-E20 WeakPolarHBondContact O-CG 3.28Å; I16-E20 PolarHBondContact O-N 2.96Å; Q17-E20 CarbonylContact O-C 3.59Å; Q17-E20 PolarHBondContact O-N 3.24Å; E20-I22 VanDerWaalsContact C-N 3.27Å; E20-I22 HydrophobicContact CB-CD1 4.32Å; E20-I22 HydrophobicContact CB-CG1 4.36Å; E20-I22 PolarHBondContact O-N 3.49Å
21G69.1Low80.6Confident54 Ų54110.4 Ų110.456%0.55759%0.587SS**THydrogen-bonded Turntrans7512.3178.400000114.4Q17 E18 A19 V23Q17-G21 PolarHBondContact O-N 3.39Å; Q17-G21 VanDerWaalsContact O-N 3.08Å; E18-G21 PolarHBondContact O-N 3.2Å; E18-G21 VanDerWaalsContact O-N 3.16Å; A19-G21 PolarHBondContact O-N 3.44Å; G21-V23 VanDerWaalsContact C-N 3.33Å; G21-V23 PolarHBondContact O-N 2.96Å
22I67.7Low81Confident92 Ų92110.5 Ų110.547%0.47259%0.591SS.*  trans-79.786.5175-56.3170.9000107.4Q17 E20Q17-I22 HydrophobicContact CB-CB 4.14Å; Q17-I22 HydrophobicContact CG-CD1 4.47Å; Q17-I22 PolarHBondContact O-N 3.07Å; E20-I22 VanDerWaalsContact C-N 3.27Å; E20-I22 HydrophobicContact CB-CD1 4.32Å; E20-I22 HydrophobicContact CB-CG1 4.36Å; E20-I22 PolarHBondContact O-N 3.49Å
23V69.7Low81.4Confident126 Ų126116 Ų11676%0.76460%0.602SS**PPolyproline II helixtrans-75.1122.7172.6-1790000108.3G21 A25G21-V23 VanDerWaalsContact C-N 3.33Å; G21-V23 PolarHBondContact O-N 2.96Å; V23-A25 PolarHBondContact O-N 3.09Å; V23-A25 VanDerWaalsContact O-N 3.14Å
24E69.8Low81.9Confident161 Ų161113.5 Ų113.575%0.75260%0.597SS**PPolyproline II helixtrans-51.7120.8170.7-173.771.3-142.200108.7
25A75.4Confident82.5Confident55 Ų55112.4 Ų112.446%0.45559%0.589SS.*PPolyproline II helixtrans-57.1138.5-179.200000109.6V23 Y27V23-A25 PolarHBondContact O-N 3.09Å; V23-A25 VanDerWaalsContact O-N 3.14Å; A25-Y27 PolarHBondContact O-N 3.34Å
26P81.2Confident83.1Confident119 Ų119109.4 Ų109.477%0.77358%0.58SS**PPolyproline II helixtrans-53.1135.9179.122.4-33000110D28P26-D28 PolarHBondContact O-N 3.3Å; P26-D28 VanDerWaalsContact O-N 3.14Å
27Y84.4Confident83.8Confident214 Ų214107.6 Ų107.684%0.83957%0.57SS**PPolyproline II helixtrans-54.4120.8-178.3178.6-96.1000110.3A25A25-Y27 PolarHBondContact O-N 3.34Å
28D86.6Confident84.5Confident38 Ų38105.7 Ų105.720%0.20357%0.567CS.*PPolyproline II helixtrans-82.6119.8177.9-169.6-12.2000108.9P26 R30P26-D28 PolarHBondContact O-N 3.3Å; P26-D28 VanDerWaalsContact O-N 3.14Å; D28-R30 PolarHBondContact O-N 2.97Å; D28-R30 VanDerWaalsContact OD1-CB 3.3Å; D28-R30 WeakPolarHBondContact OD1-CB 3.47Å; D28-R30 WeakPolarHBondContact OD1-CG 3.49Å; D28-R30 PolarHBondContact OD1-N 3.41Å; D28-R30 IonicContact OD1-NE 2.61Å; D28-R30 PolarHBondContact OD1-NE 3Å; D28-R30 VanDerWaalsContact OD1-NE 3.11Å; D28-R30 IonicContact OD2-CZ 3.32Å; D28-R30 VanDerWaalsContact OD2-CZ 3.28Å; D28-R30 IonicContact OD2-NE 3.87Å; D28-R30 PolarHBondContact OD2-NE 3.28Å; D28-R30 IonicContact OD2-NH2 3.85Å; D28-R30 PolarHBondContact OD2-NH2 3.48Å
29A92.8Very high85.2Confident94 Ų94104.3 Ų104.378%0.77756%0.561SS**  trans-74.1-10.2-179.300000113.4
30R91.3Very high86.1Confident123 Ų123106.3 Ų106.346%0.46455%0.553SS.*SBendtrans-68.7154.5174.3-66-179.1-62.9172.23.3111.2D28 E34D28-R30 PolarHBondContact O-N 2.97Å; D28-R30 VanDerWaalsContact OD1-CB 3.3Å; D28-R30 WeakPolarHBondContact OD1-CB 3.47Å; D28-R30 WeakPolarHBondContact OD1-CG 3.49Å; D28-R30 PolarHBondContact OD1-N 3.41Å; D28-R30 IonicContact OD1-NE 2.61Å; D28-R30 PolarHBondContact OD1-NE 3Å; D28-R30 VanDerWaalsContact OD1-NE 3.11Å; D28-R30 IonicContact OD2-CZ 3.32Å; D28-R30 VanDerWaalsContact OD2-CZ 3.28Å; D28-R30 IonicContact OD2-NE 3.87Å; D28-R30 PolarHBondContact OD2-NE 3.28Å; D28-R30 IonicContact OD2-NH2 3.85Å; D28-R30 PolarHBondContact OD2-NH2 3.48Å; R30-E34 HydrophobicContact CB-CB 4.16Å; R30-E34 WeakPolarHBondContact CB-OE2 3.44Å
31S92.2Very high87Confident69 Ų69103 Ų10348%0.48354%0.54SS..  trans-63.8149.8173.2179.40000110.6Y33 E34 R35S31-Y33 PolarHBondContact O-N 3.32Å; S31-Y33 VanDerWaalsContact O-N 3.12Å; S31-E34 PolarHBondContact N-OE2 2.92Å; S31-E34 WeakPolarHBondContact O-CB 3.49Å; S31-E34 PolarHBondContact O-N 3.46Å; S31-R35 PolarHBondContact O-N 3.25Å
32L92.1Very high88.2Confident128 Ų128106.4 Ų106.467%0.6754%0.536SS*.Hα-helixtrans-52.4-36.8174.7179.762.8000111.8R35 L36L32-R35 PolarHBondContact O-N 3.43Å; L32-L36 HydrophobicContact CD1-CD1 4.31Å; L32-L36 HydrophobicContact CD1-CG 4.31Å; L32-L36 HydrophobicContact CG-CD1 4.09Å; L32-L36 WeakPolarHBondContact O-CB 3.46Å; L32-L36 WeakPolarHBondContact O-CG 3.48Å; L32-L36 PolarHBondContact O-N 3.46Å
33Y94.9Very high89.6Confident164 Ų164109 Ų10964%0.64354%0.544SS*.Hα-helixtrans-60.9-46.6175.5173.8-100.8000112.3S31 R35 L36 Q37S31-Y33 PolarHBondContact O-N 3.32Å; S31-Y33 VanDerWaalsContact O-N 3.12Å; Y33-R35 VanDerWaalsContact C-N 3.33Å; Y33-R35 PolarHBondContact O-N 2.9Å; Y33-L36 PolarHBondContact O-N 3.48Å; Y33-Q37 VanDerWaalsContact O-CB 3.24Å; Y33-Q37 WeakPolarHBondContact O-CB 3.29Å; Y33-Q37 PolarHBondContact O-N 3.3Å
34E94.4Very high90.8Very high102 Ų102107.3 Ų107.348%0.47753%0.527SS..Hα-helixtrans-65.5-38.5-179.9-66.3174.9164.800111.3R30 S31 Q37 A38R30-E34 HydrophobicContact CB-CB 4.16Å; R30-E34 WeakPolarHBondContact CB-OE2 3.44Å; S31-E34 PolarHBondContact N-OE2 2.92Å; S31-E34 WeakPolarHBondContact O-CB 3.49Å; S31-E34 PolarHBondContact O-N 3.46Å; E34-Q37 PolarHBondContact O-N 3.5Å; E34-A38 WeakPolarHBondContact O-CB 3.31Å; E34-A38 PolarHBondContact O-N 2.88Å
35R93.5Very high92Very high119 Ų119105.7 Ų105.745%0.44952%0.52SS..Hα-helixtrans-63.7-47.3175.9-171.8177.6-171.6165.45111.9S31 L32 Y33 A38 E39S31-R35 PolarHBondContact O-N 3.25Å; L32-R35 PolarHBondContact O-N 3.43Å; Y33-R35 VanDerWaalsContact C-N 3.33Å; Y33-R35 PolarHBondContact O-N 2.9Å; R35-A38 PolarHBondContact O-N 3.26Å; R35-E39 PolarHBondContact O-N 3.33Å
36L95.3Very high92.9Very high95 Ų95107.4 Ų107.450%0.49752%0.518SS..Hα-helixtrans-65.9-39178-72173.7000111.9L32 Y33 E39 K40L32-L36 HydrophobicContact CD1-CD1 4.31Å; L32-L36 HydrophobicContact CD1-CG 4.31Å; L32-L36 HydrophobicContact CG-CD1 4.09Å; L32-L36 WeakPolarHBondContact O-CB 3.46Å; L32-L36 WeakPolarHBondContact O-CG 3.48Å; L32-L36 PolarHBondContact O-N 3.46Å; Y33-L36 PolarHBondContact O-N 3.48Å; L36-E39 PolarHBondContact O-N 3.47Å; L36-K40 WeakPolarHBondContact O-CB 3.39Å; L36-K40 PolarHBondContact O-N 3.24Å
37Q95.7Very high93.6Very high56 Ų56108.8 Ų108.826%0.26251%0.509SS..Hα-helixtrans-64.2-45.6176.7-174.75745.900110.8Y33 E34 E39 K40 D41Y33-Q37 VanDerWaalsContact O-CB 3.24Å; Y33-Q37 WeakPolarHBondContact O-CB 3.29Å; Y33-Q37 PolarHBondContact O-N 3.3Å; E34-Q37 PolarHBondContact O-N 3.5Å; Q37-E39 VanDerWaalsContact C-N 3.31Å; Q37-E39 PolarHBondContact O-N 2.91Å; Q37-K40 WeakPolarHBondContact O-CB 3.33Å; Q37-K40 PolarHBondContact O-N 2.82Å; Q37-D41 PolarHBondContact NE2-OD1 3.08Å; Q37-D41 PolarHBondContact NE2-OD2 2.87Å; Q37-D41 VanDerWaalsContact O-CG 3.23Å; Q37-D41 PolarHBondContact O-N 2.98Å
38A93Very high94.1Very high40 Ų40103.7 Ų103.733%0.33149%0.493SS..Hα-helixtrans-61.3-37.9174.800000112.6E34 R35 R42E34-A38 WeakPolarHBondContact O-CB 3.31Å; E34-A38 PolarHBondContact O-N 2.88Å; R35-A38 PolarHBondContact O-N 3.26Å; A38-R42 VanDerWaalsContact O-CB 3.23Å; A38-R42 WeakPolarHBondContact O-CB 3.2Å; A38-R42 PolarHBondContact O-N 2.86Å
39E94.6Very high94.3Very high115 Ų115105.2 Ų105.254%0.53751%0.511SS..Hα-helixtrans-66.7-39.5175.3-171.5-179.217100112.2R35 L36 Q37 K43R35-E39 PolarHBondContact O-N 3.33Å; L36-E39 PolarHBondContact O-N 3.47Å; Q37-E39 VanDerWaalsContact C-N 3.31Å; Q37-E39 PolarHBondContact O-N 2.91Å; E39-K43 WeakPolarHBondContact O-CB 3.43Å; E39-K43 PolarHBondContact O-N 2.94Å
40K97.1Very high94.2Very high132 Ų132105.5 Ų105.557%0.57450%0.503SS*.Hα-helixtrans-62.4-49.6173.9179.4-170170.5-1760111L36 Q37 K43 Q44L36-K40 WeakPolarHBondContact O-CB 3.39Å; L36-K40 PolarHBondContact O-N 3.24Å; Q37-K40 WeakPolarHBondContact O-CB 3.33Å; Q37-K40 PolarHBondContact O-N 2.82Å; K40-K43 PolarHBondContact O-N 2.92Å; K40-Q44 PolarHBondContact O-N 3.43Å
41D96.7Very high94.2Very high66 Ų66101.2 Ų101.235%0.35349%0.49SS..Hα-helixtrans-64.1-43.6-178.1-64.5-23.2000110.2Q37 K43 Q44 E45Q37-D41 PolarHBondContact NE2-OD1 3.08Å; Q37-D41 PolarHBondContact NE2-OD2 2.87Å; Q37-D41 VanDerWaalsContact O-CG 3.23Å; Q37-D41 PolarHBondContact O-N 2.98Å; D41-K43 VanDerWaalsContact C-N 3.31Å; D41-K43 PolarHBondContact O-N 2.91Å; D41-Q44 WeakPolarHBondContact O-CB 2.99Å; D41-Q44 PolarHBondContact O-N 2.86Å; D41-Q44 VanDerWaalsContact O-N 3.07Å; D41-E45 WeakPolarHBondContact O-CG 3.41Å; D41-E45 PolarHBondContact O-N 3.09Å
42R94.5Very high94.2Very high127 Ų127100.7 Ų100.748%0.47949%0.489SS..Hα-helixtrans-54.2-45.6171.9-173.6-168.878.489.312.4112.4A38 Q44 E45 E46A38-R42 VanDerWaalsContact O-CB 3.23Å; A38-R42 WeakPolarHBondContact O-CB 3.2Å; A38-R42 PolarHBondContact O-N 2.86Å; R42-Q44 VanDerWaalsContact C-N 3.34Å; R42-E45 PolarHBondContact O-N 2.86Å; R42-E46 IonicContact CZ-OE1 3.87Å; R42-E46 VanDerWaalsContact CZ-OE1 3.32Å; R42-E46 IonicContact NH1-OE1 3.92Å; R42-E46 PolarHBondContact NH1-OE1 3.42Å; R42-E46 IonicContact NH1-OE2 3.11Å; R42-E46 IonicContact NH2-OE1 3.78Å; R42-E46 IonicContact NH2-OE2 3.02Å; R42-E46 WeakPolarHBondContact O-CG 3.29Å; R42-E46 PolarHBondContact O-N 2.77Å
43K96.6Very high93.9Very high146 Ų14699.9 Ų99.964%0.63549%0.485SS*.Hα-helixtrans-68.5-35179.2-172.3176.9-178.8177.10112.1E39 K40 D41 Y47E39-K43 WeakPolarHBondContact O-CB 3.43Å; E39-K43 PolarHBondContact O-N 2.94Å; K40-K43 PolarHBondContact O-N 2.92Å; D41-K43 VanDerWaalsContact C-N 3.31Å; D41-K43 PolarHBondContact O-N 2.91Å; K43-Y47 WeakPolarHBondContact O-CB 3.28Å; K43-Y47 PolarHBondContact O-N 2.94Å
44Q95.7Very high93.6Very high90 Ų9099.2 Ų99.242%0.42149%0.485SS..Hα-helixtrans-67.1-45.7176-177.260.530.500110.9K40 D41 R42 E46 Y47 E48K40-Q44 PolarHBondContact O-N 3.43Å; D41-Q44 WeakPolarHBondContact O-CB 2.99Å; D41-Q44 PolarHBondContact O-N 2.86Å; D41-Q44 VanDerWaalsContact O-N 3.07Å; R42-Q44 VanDerWaalsContact C-N 3.34Å; Q44-E46 PolarHBondContact O-N 3.42Å; Q44-Y47 WeakPolarHBondContact O-CB 3.49Å; Q44-Y47 PolarHBondContact O-N 2.87Å; Q44-E48 WeakPolarHBondContact CG-OE1 3.45Å; Q44-E48 PolarHBondContact NE2-OE1 3.25Å; Q44-E48 WeakPolarHBondContact O-CG 3.25Å; Q44-E48 PolarHBondContact O-N 3.42Å
45E94.4Very high93.2Very high127 Ų127100.4 Ų100.459%0.59350%0.495SS*.Hα-helixtrans-60.3-42.6175.1-70.9170.8-167.200111.9D41 R42 Y47 E48 A49D41-E45 WeakPolarHBondContact O-CG 3.41Å; D41-E45 PolarHBondContact O-N 3.09Å; R42-E45 PolarHBondContact O-N 2.86Å; E45-Y47 VanDerWaalsContact C-N 3.35Å; E45-Y47 PolarHBondContact O-N 3.3Å; E45-E48 PolarHBondContact O-N 3.46Å; E45-A49 VanDerWaalsContact O-CB 3.3Å; E45-A49 WeakPolarHBondContact O-CB 3.33Å; E45-A49 PolarHBondContact O-N 3.22Å
46E94.3Very high92.9Very high91 Ų91105.1 Ų105.143%0.42551%0.513SS..Hα-helixtrans-61.7-41.1174.1-75.3172.3-175.500112.3R42 Q44 T50R42-E46 IonicContact CZ-OE1 3.87Å; R42-E46 VanDerWaalsContact CZ-OE1 3.32Å; R42-E46 IonicContact NH1-OE1 3.92Å; R42-E46 PolarHBondContact NH1-OE1 3.42Å; R42-E46 IonicContact NH1-OE2 3.11Å; R42-E46 IonicContact NH2-OE1 3.78Å; R42-E46 IonicContact NH2-OE2 3.02Å; R42-E46 WeakPolarHBondContact O-CG 3.29Å; R42-E46 PolarHBondContact O-N 2.77Å; Q44-E46 PolarHBondContact O-N 3.42Å; E46-T50 WeakPolarHBondContact O-CB 3.31Å; E46-T50 VanDerWaalsContact O-CG2 3.28Å; E46-T50 WeakPolarHBondContact O-CG2 3.42Å; E46-T50 PolarHBondContact O-N 3.46Å; E46-T50 PolarHBondContact O-OG1 3.32Å
47Y95.1Very high92.4Very high148 Ų148106.1 Ų106.158%0.5852%0.518SS*.Hα-helixtrans-65.4-41.7176177.3-92.3000111.9K43 Q44 E45 T50 N51K43-Y47 WeakPolarHBondContact O-CB 3.28Å; K43-Y47 PolarHBondContact O-N 2.94Å; Q44-Y47 WeakPolarHBondContact O-CB 3.49Å; Q44-Y47 PolarHBondContact O-N 2.87Å; E45-Y47 VanDerWaalsContact C-N 3.35Å; E45-Y47 PolarHBondContact O-N 3.3Å; Y47-T50 PolarHBondContact O-OG1 3.4Å; Y47-T50 VanDerWaalsContact O-OG1 3.11Å; Y47-N51 VanDerWaalsContact CD2-ND2 3.31Å; Y47-N51 WeakPolarHBondContact CD2-ND2 3.45Å; Y47-N51 VanDerWaalsContact CE1-ND2 3.33Å; Y47-N51 WeakPolarHBondContact CE1-ND2 3.4Å; Y47-N51 WeakPolarHBondContact CE2-ND2 3.46Å; Y47-N51 VanDerWaalsContact O-CB 3.32Å; Y47-N51 WeakPolarHBondContact O-CB 3.17Å; Y47-N51 PolarHBondContact O-N 3.13Å; Y47-N51 VanDerWaalsContact O-N 3.09Å; Y47-N51 PolarHBondContact O-ND2 3.43Å
48E94.9Very high91.9Very high108 Ų108109.9 Ų109.951%0.50554%0.535SS..Hα-helixtrans-67.1-44.8176.9-73.7173.7-165.200111.2Q44 E45 T50 N51 A52Q44-E48 WeakPolarHBondContact CG-OE1 3.45Å; Q44-E48 PolarHBondContact NE2-OE1 3.25Å; Q44-E48 WeakPolarHBondContact O-CG 3.25Å; Q44-E48 PolarHBondContact O-N 3.42Å; E45-E48 PolarHBondContact O-N 3.46Å; E48-T50 PolarHBondContact O-N 3.12Å; E48-N51 CarbonylContact O-C 3.49Å; E48-N51 PolarHBondContact O-N 3.29Å; E48-A52 WeakPolarHBondContact O-CA 3.24Å; E48-A52 WeakPolarHBondContact O-CB 3.4Å; E48-A52 PolarHBondContact O-N 2.96Å
49A91.4Very high91.7Very high70 Ų70118.7 Ų118.758%0.57956%0.559SS**Hα-helixtrans-62.2-44.6178.300000112.4E45 N51 A52E45-A49 VanDerWaalsContact O-CB 3.3Å; E45-A49 WeakPolarHBondContact O-CB 3.33Å; E45-A49 PolarHBondContact O-N 3.22Å; A49-N51 VanDerWaalsContact C-N 3.35Å; A49-N51 PolarHBondContact O-N 2.91Å; A49-A52 PolarHBondContact O-N 3.3Å
50T90.4Very high91.6Very high100 Ų100116.7 Ų116.761%0.61355%0.552SS**Hα-helixtrans-68.2-33.917951.70000112.6E46 Y47 E48E46-T50 WeakPolarHBondContact O-CB 3.31Å; E46-T50 VanDerWaalsContact O-CG2 3.28Å; E46-T50 WeakPolarHBondContact O-CG2 3.42Å; E46-T50 PolarHBondContact O-N 3.46Å; E46-T50 PolarHBondContact O-OG1 3.32Å; Y47-T50 PolarHBondContact O-OG1 3.4Å; Y47-T50 VanDerWaalsContact O-OG1 3.11Å; E48-T50 PolarHBondContact O-N 3.12Å
51N91.2Very high91.4Very high33 Ų33114.7 Ų114.718%0.17655%0.548CS..Hα-helixtrans-89.7-16178.4-68.1-46.5000114Y47 E48 A49 L53 K54 N55Y47-N51 VanDerWaalsContact CD2-ND2 3.31Å; Y47-N51 WeakPolarHBondContact CD2-ND2 3.45Å; Y47-N51 VanDerWaalsContact CE1-ND2 3.33Å; Y47-N51 WeakPolarHBondContact CE1-ND2 3.4Å; Y47-N51 WeakPolarHBondContact CE2-ND2 3.46Å; Y47-N51 VanDerWaalsContact O-CB 3.32Å; Y47-N51 WeakPolarHBondContact O-CB 3.17Å; Y47-N51 PolarHBondContact O-N 3.13Å; Y47-N51 VanDerWaalsContact O-N 3.09Å; Y47-N51 PolarHBondContact O-ND2 3.43Å; E48-N51 CarbonylContact O-C 3.49Å; E48-N51 PolarHBondContact O-N 3.29Å; A49-N51 VanDerWaalsContact C-N 3.35Å; A49-N51 PolarHBondContact O-N 2.91Å; N51-L53 VanDerWaalsContact C-N 3.33Å; N51-L53 PolarHBondContact O-N 3.44Å; N51-K54 WeakPolarHBondContact O-CB 3.42Å; N51-K54 PolarHBondContact O-N 2.8Å; N51-K54 VanDerWaalsContact O-N 3.13Å; N51-N55 WeakPolarHBondContact O-CB 3.38Å; N51-N55 VanDerWaalsContact O-CG 3.24Å; N51-N55 PolarHBondContact O-N 2.76Å
52A92Very high91.3Very high57 Ų57119 Ų11947%0.47157%0.566SS.*Hα-helixtrans-57.7-45.8-178.800000111.4E48 A49 N55 R56E48-A52 WeakPolarHBondContact O-CA 3.24Å; E48-A52 WeakPolarHBondContact O-CB 3.4Å; E48-A52 PolarHBondContact O-N 2.96Å; A49-A52 PolarHBondContact O-N 3.3Å; A52-N55 PolarHBondContact O-N 3.35Å; A52-R56 WeakPolarHBondContact O-CB 3.41Å; A52-R56 PolarHBondContact O-N 3.29Å
53L86Confident91.3Very high111 Ų111118.7 Ų118.758%0.58157%0.574SS**Hα-helixtrans-68.5-39.3177.6-171.862.6000111.9N51 N55 R56 I57N51-L53 VanDerWaalsContact C-N 3.33Å; N51-L53 PolarHBondContact O-N 3.44Å; L53-N55 VanDerWaalsContact C-N 3.29Å; L53-N55 PolarHBondContact O-N 3Å; L53-R56 PolarHBondContact O-N 2.89Å; L53-I57 HydrophobicContact CD1-CD1 3.57Å; L53-I57 HydrophobicContact CD1-CG1 3.98Å; L53-I57 HydrophobicContact CD2-CD1 4.33Å; L53-I57 HydrophobicContact CG-CD1 3.76Å; L53-I57 HydrophobicContact CG-CG1 4.34Å; L53-I57 WeakPolarHBondContact O-CG1 3.26Å; L53-I57 PolarHBondContact O-N 3.46Å
54K88.8Confident91.2Very high151 Ų151114.9 Ų114.966%0.65756%0.558SS**Hα-helixtrans-61.9-37.6176.8-176.1-177.9175.1-174.60111.8N51N51-K54 WeakPolarHBondContact O-CB 3.42Å; N51-K54 PolarHBondContact O-N 2.8Å; N51-K54 VanDerWaalsContact O-N 3.13Å
55N85.7Confident91.2Very high127 Ų127113.5 Ų113.568%0.67956%0.556SS**Hα-helixtrans-74.6-31.7177.2-66.6-11.4000112.1N51 A52 L53N51-N55 WeakPolarHBondContact O-CB 3.38Å; N51-N55 VanDerWaalsContact O-CG 3.24Å; N51-N55 PolarHBondContact O-N 2.76Å; A52-N55 PolarHBondContact O-N 3.35Å; L53-N55 VanDerWaalsContact C-N 3.29Å; L53-N55 PolarHBondContact O-N 3Å
56R87.7Confident91.3Very high218 Ų218113.2 Ų113.282%0.82355%0.554SS**Hα-helixtrans-75.6-32.8177.3-173.6173.4179.8165.11.1113.1A52 L53 H58A52-R56 WeakPolarHBondContact O-CB 3.41Å; A52-R56 PolarHBondContact O-N 3.29Å; L53-R56 PolarHBondContact O-N 2.89Å; R56-H58 PolarHBondContact O-N 3.34Å
57I83.5Confident91.4Very high116 Ų116115.6 Ų115.660%0.59556%0.56SS**  trans-98.981.7-179.9-55.4178.1000108.8L53L53-I57 HydrophobicContact CD1-CD1 3.57Å; L53-I57 HydrophobicContact CD1-CG1 3.98Å; L53-I57 HydrophobicContact CD2-CD1 4.33Å; L53-I57 HydrophobicContact CG-CD1 3.76Å; L53-I57 HydrophobicContact CG-CG1 4.34Å; L53-I57 WeakPolarHBondContact O-CG1 3.26Å; L53-I57 PolarHBondContact O-N 3.46Å
58H86.8Confident91.5Very high135 Ų135112.3 Ų112.363%0.62555%0.552SS**PPolyproline II helixtrans-92.5139.4167-169.558.7000109.9R56 E64R56-H58 PolarHBondContact O-N 3.34Å; H58-E64 IonicContact CD2-OE2 3.28Å; H58-E64 IonicContact NE2-OE2 2.71Å
59R89.1Confident91.6Very high224 Ų224113.4 Ų113.485%0.84556%0.557SS**PPolyproline II helixtrans-88116.3171-67.7-176.667.9-160.6-2.1107.3D61R59-D61 PolarHBondContact O-N 2.94Å
60L91.6Very high91.8Very high74 Ų74113.4 Ų113.439%0.38755%0.55SS.*PPolyproline II helixtrans-58.5129.3171.4-134.374.2000109.3E64 V65 L68L60-E64 HydrophobicContact CD1-CB 4.31Å; L60-E64 HydrophobicContact CD1-CG 3.53Å; L60-E64 VanDerWaalsContact CD1-OE1 3.29Å; L60-E64 WeakPolarHBondContact CD1-OE1 3.44Å; L60-E64 WeakPolarHBondContact CD1-OE2 3.45Å; L60-E64 HydrophobicContact CD2-CG 4.25Å; L60-E64 HydrophobicContact CG-CB 3.87Å; L60-E64 HydrophobicContact CG-CG 3.61Å; L60-V65 HydrophobicContact CB-CG2 3.99Å; L60-V65 HydrophobicContact CD2-CB 4.15Å; L60-V65 HydrophobicContact CD2-CG2 3.58Å; L60-V65 HydrophobicContact CG-CG2 4.07Å; L60-L68 HydrophobicContact CD1-CD1 4.15Å; L60-L68 HydrophobicContact CD2-CD1 3.51Å; L60-L68 HydrophobicContact CD2-CG 4.28Å; L60-L68 HydrophobicContact CG-CD1 4.48Å
61D92.4Very high92.2Very high90 Ų90111.6 Ų111.648%0.48154%0.537SS..PPolyproline II helixtrans-81.2168.3169.163.821.1000111R59 D63 E64 V65R59-D61 PolarHBondContact O-N 2.94Å; D61-D63 VanDerWaalsContact C-N 3.25Å; D61-D63 PolarHBondContact O-N 3.42Å; D61-E64 PolarHBondContact O-N 2.86Å; D61-E64 WeakPolarHBondContact OD1-CA 3.03Å; D61-E64 WeakPolarHBondContact OD1-CB 3.22Å; D61-E64 PolarHBondContact OD1-N 3.41Å; D61-V65 VanDerWaalsContact O-CG2 3.24Å; D61-V65 WeakPolarHBondContact O-CG2 3.39Å; D61-V65 PolarHBondContact O-N 2.88Å
62E94.3Very high92.5Very high155 Ų155112.8 Ų112.872%0.72455%0.551SS**Hα-helixtrans-60.5-37.7-176.5-170.270.1-151.100111.6V65 E66E62-V65 PolarHBondContact O-N 2.83Å; E62-E66 PolarHBondContact O-N 2.85Å
63D95.5Very high92.7Very high122 Ų122113.3 Ų113.365%0.65255%0.548SS*.Hα-helixtrans-68.3-39.8-179.8-64.2-8000111.2D61 E66 Y67D61-D63 VanDerWaalsContact C-N 3.25Å; D61-D63 PolarHBondContact O-N 3.42Å; D63-E66 PolarHBondContact O-N 2.88Å; D63-Y67 WeakPolarHBondContact O-CB 3.33Å; D63-Y67 PolarHBondContact O-N 3.39Å
64E94.9Very high93.2Very high65 Ų65115.2 Ų115.230%0.30455%0.552SS.*Hα-helixtrans-71.5-37176.6-173.3-178.2-168.400111.6H58 L60 D61 Y67 L68H58-E64 IonicContact CD2-OE2 3.28Å; H58-E64 IonicContact NE2-OE2 2.71Å; L60-E64 HydrophobicContact CD1-CB 4.31Å; L60-E64 HydrophobicContact CD1-CG 3.53Å; L60-E64 VanDerWaalsContact CD1-OE1 3.29Å; L60-E64 WeakPolarHBondContact CD1-OE1 3.44Å; L60-E64 WeakPolarHBondContact CD1-OE2 3.45Å; L60-E64 HydrophobicContact CD2-CG 4.25Å; L60-E64 HydrophobicContact CG-CB 3.87Å; L60-E64 HydrophobicContact CG-CG 3.61Å; D61-E64 PolarHBondContact O-N 2.86Å; D61-E64 WeakPolarHBondContact OD1-CA 3.03Å; D61-E64 WeakPolarHBondContact OD1-CB 3.22Å; D61-E64 PolarHBondContact OD1-N 3.41Å; E64-Y67 PolarHBondContact O-N 3.03Å; E64-L68 WeakPolarHBondContact O-CG 3.45Å; E64-L68 PolarHBondContact O-N 3.34Å
65V95Very high93.6Very high61 Ų61112.9 Ų112.937%0.3754%0.544SS..Hα-helixtrans-57.9-49.9169.9176.30000110.2L60 D61 E62 Y67 L68 Q69L60-V65 HydrophobicContact CB-CG2 3.99Å; L60-V65 HydrophobicContact CD2-CB 4.15Å; L60-V65 HydrophobicContact CD2-CG2 3.58Å; L60-V65 HydrophobicContact CG-CG2 4.07Å; D61-V65 VanDerWaalsContact O-CG2 3.24Å; D61-V65 WeakPolarHBondContact O-CG2 3.39Å; D61-V65 PolarHBondContact O-N 2.88Å; E62-V65 PolarHBondContact O-N 2.83Å; V65-Y67 VanDerWaalsContact C-N 3.34Å; V65-Y67 PolarHBondContact O-N 2.9Å; V65-L68 PolarHBondContact O-N 2.94Å; V65-Q69 PolarHBondContact O-N 3.46Å
66E96.2Very high94.2Very high121 Ų121114 Ų11457%0.56554%0.54SS*.Hα-helixtrans-59.7-45.6178.2-174.1179.3-174.200110.6E62 D63 L68 Q69 T70E62-E66 PolarHBondContact O-N 2.85Å; D63-E66 PolarHBondContact O-N 2.88Å; E66-L68 PolarHBondContact O-N 2.82Å; E66-Q69 PolarHBondContact O-N 2.82Å; E66-T70 WeakPolarHBondContact O-CG2 2.99Å; E66-T70 PolarHBondContact O-N 3.24Å
67Y97.4Very high94.7Very high141 Ų141110.8 Ų110.855%0.55353%0.531SS*.Hα-helixtrans-56.8-49.2175.7174.1-103.2000112.1D63 E64 V65 Q69 T70 L71D63-Y67 WeakPolarHBondContact O-CB 3.33Å; D63-Y67 PolarHBondContact O-N 3.39Å; E64-Y67 PolarHBondContact O-N 3.03Å; V65-Y67 VanDerWaalsContact C-N 3.34Å; V65-Y67 PolarHBondContact O-N 2.9Å; Y67-Q69 VanDerWaalsContact C-N 3.31Å; Y67-Q69 PolarHBondContact O-N 3.38Å; Y67-T70 PolarHBondContact O-N 3.32Å; Y67-T70 PolarHBondContact O-OG1 3.43Å; Y67-L71 HydrophobicContact CE1-CD2 4.24Å; Y67-L71 WeakPolarHBondContact O-CB 3.29Å; Y67-L71 PolarHBondContact O-N 2.85Å
68L96.4Very high95.3Very high79 Ų79106.8 Ų106.841%0.41452%0.516SS..Hα-helixtrans-62.8-37.3177.9-69.5-171.5000112.2L60 E64 V65 E66 L71 A72L60-L68 HydrophobicContact CD1-CD1 4.15Å; L60-L68 HydrophobicContact CD2-CD1 3.51Å; L60-L68 HydrophobicContact CD2-CG 4.28Å; L60-L68 HydrophobicContact CG-CD1 4.48Å; E64-L68 WeakPolarHBondContact O-CG 3.45Å; E64-L68 PolarHBondContact O-N 3.34Å; V65-L68 PolarHBondContact O-N 2.94Å; E66-L68 PolarHBondContact O-N 2.82Å; L68-L71 PolarHBondContact O-N 3.12Å; L68-A72 VanDerWaalsContact O-CB 3.26Å; L68-A72 WeakPolarHBondContact O-CB 3.15Å; L68-A72 PolarHBondContact O-N 2.94Å
69Q97Very high95.7Very high131 Ų131104 Ų10461%0.61251%0.506SS*.Hα-helixtrans-64.4-45.8174.7-176.1177-13.900111.5V65 E66 Y67 L71 A72 T73V65-Q69 PolarHBondContact O-N 3.46Å; E66-Q69 PolarHBondContact O-N 2.82Å; Y67-Q69 VanDerWaalsContact C-N 3.31Å; Y67-Q69 PolarHBondContact O-N 3.38Å; Q69-L71 VanDerWaalsContact C-N 3.33Å; Q69-L71 PolarHBondContact O-N 3.48Å; Q69-A72 PolarHBondContact O-N 2.64Å; Q69-T73 VanDerWaalsContact O-CG2 3.3Å; Q69-T73 WeakPolarHBondContact O-CG2 3.33Å; Q69-T73 PolarHBondContact O-N 3.02Å; Q69-T73 PolarHBondContact O-OG1 3.45Å
70T96.9Very high96.1Very high70 Ų7096.1 Ų96.143%0.42948%0.479SS..Hα-helixtrans-63.2-40.1176.166.10000111.8E66 Y67 T73 K74E66-T70 WeakPolarHBondContact O-CG2 2.99Å; E66-T70 PolarHBondContact O-N 3.24Å; Y67-T70 PolarHBondContact O-N 3.32Å; Y67-T70 PolarHBondContact O-OG1 3.43Å; T70-T73 PolarHBondContact O-N 3.44Å; T70-T73 PolarHBondContact O-OG1 2.96Å; T70-K74 WeakPolarHBondContact O-CB 3.3Å; T70-K74 PolarHBondContact O-N 2.95Å
71L97.4Very high96.3Very high62 Ų6299.3 Ų99.333%0.32549%0.492SS..Hα-helixtrans-65.4-44.8176.9-175.261.6000111.5Y67 L68 Q69 T73 K74 Q75Y67-L71 HydrophobicContact CE1-CD2 4.24Å; Y67-L71 WeakPolarHBondContact O-CB 3.29Å; Y67-L71 PolarHBondContact O-N 2.85Å; L68-L71 PolarHBondContact O-N 3.12Å; Q69-L71 VanDerWaalsContact C-N 3.33Å; Q69-L71 PolarHBondContact O-N 3.48Å; L71-T73 PolarHBondContact O-N 2.92Å; L71-K74 PolarHBondContact O-N 3.3Å; L71-Q75 WeakPolarHBondContact O-CG 3.41Å; L71-Q75 PolarHBondContact O-N 2.92Å
72A97.2Very high96.5Very high58 Ų58100.3 Ų100.348%0.47949%0.492SS..Hα-helixtrans-60.5-44.9176.600000111.6L68 Q69 K74 Q75 Y76L68-A72 VanDerWaalsContact O-CB 3.26Å; L68-A72 WeakPolarHBondContact O-CB 3.15Å; L68-A72 PolarHBondContact O-N 2.94Å; Q69-A72 PolarHBondContact O-N 2.64Å; A72-K74 VanDerWaalsContact C-N 3.32Å; A72-K74 PolarHBondContact O-N 3.49Å; A72-Q75 PolarHBondContact O-N 3.45Å; A72-Y76 WeakPolarHBondContact O-CB 3.49Å; A72-Y76 PolarHBondContact O-N 2.95Å
73T97Very high96.6Very high68 Ų6898.7 Ų98.742%0.41749%0.485SS..Hα-helixtrans-65.1-35.2176.161.10000112.5Q69 T70 L71 K77Q69-T73 VanDerWaalsContact O-CG2 3.3Å; Q69-T73 WeakPolarHBondContact O-CG2 3.33Å; Q69-T73 PolarHBondContact O-N 3.02Å; Q69-T73 PolarHBondContact O-OG1 3.45Å; T70-T73 PolarHBondContact O-N 3.44Å; T70-T73 PolarHBondContact O-OG1 2.96Å; L71-T73 PolarHBondContact O-N 2.92Å; T73-K77 WeakPolarHBondContact O-CB 3.37Å; T73-K77 VanDerWaalsContact O-CG 3.28Å; T73-K77 WeakPolarHBondContact O-CG 3.41Å; T73-K77 PolarHBondContact O-N 3.04Å; T73-K77 VanDerWaalsContact O-N 3.07Å
74K97.4Very high96.6Very high151 Ų15199.4 Ų99.466%0.65748%0.482SS*.Hα-helixtrans-68.1-46175.3-175.2-178.5178.7-176.20111.9T70 L71 A72 K77 A78T70-K74 WeakPolarHBondContact O-CB 3.3Å; T70-K74 PolarHBondContact O-N 2.95Å; L71-K74 PolarHBondContact O-N 3.3Å; A72-K74 VanDerWaalsContact C-N 3.32Å; A72-K74 PolarHBondContact O-N 3.49Å; K74-K77 PolarHBondContact O-N 2.8Å; K74-A78 WeakPolarHBondContact O-CB 3.43Å; K74-A78 PolarHBondContact O-N 3.09Å
75Q97.3Very high96.6Very high103 Ų103102 Ų10248%0.48149%0.494SS..Hα-helixtrans-60.8-49176.6-73.5-71.516.300110.8L71 A72 K77 A78 D79L71-Q75 WeakPolarHBondContact O-CG 3.41Å; L71-Q75 PolarHBondContact O-N 2.92Å; A72-Q75 PolarHBondContact O-N 3.45Å; Q75-K77 VanDerWaalsContact C-N 3.31Å; Q75-K77 PolarHBondContact O-N 3.27Å; Q75-A78 PolarHBondContact O-N 2.85Å; Q75-A78 VanDerWaalsContact O-N 3.09Å; Q75-D79 PolarHBondContact O-N 2.92Å
76Y97.2Very high96.6Very high151 Ų151103.3 Ų103.359%0.59250%0.502SS*.Hα-helixtrans-56-44.2176.2178.6-102.4000112.5A72 D79 M80A72-Y76 WeakPolarHBondContact O-CB 3.49Å; A72-Y76 PolarHBondContact O-N 2.95Å; Y76-D79 PolarHBondContact O-N 3.47Å; Y76-M80 HydrophobicContact CD1-CG 4.33Å; Y76-M80 HydrophobicContact CE1-CG 3.93Å; Y76-M80 HydrophobicContact CE2-CE 4.45Å; Y76-M80 HydrophobicContact CE2-CG 4.12Å; Y76-M80 HydrophobicContact CE2-SD 4.36Å; Y76-M80 WeakPolarHBondContact O-CB 3.47Å; Y76-M80 WeakPolarHBondContact O-CG 3.29Å; Y76-M80 PolarHBondContact O-N 3.4Å
77K97.4Very high96.6Very high149 Ų149100.3 Ų100.365%0.64850%0.498SS*.Hα-helixtrans-63.4-42.6175.8-77.2175.6-179.11780112.6T73 K74 Q75 M80 E81T73-K77 WeakPolarHBondContact O-CB 3.37Å; T73-K77 VanDerWaalsContact O-CG 3.28Å; T73-K77 WeakPolarHBondContact O-CG 3.41Å; T73-K77 PolarHBondContact O-N 3.04Å; T73-K77 VanDerWaalsContact O-N 3.07Å; K74-K77 PolarHBondContact O-N 2.8Å; Q75-K77 VanDerWaalsContact C-N 3.31Å; Q75-K77 PolarHBondContact O-N 3.27Å; K77-M80 PolarHBondContact O-N 3.45Å; K77-E81 PolarHBondContact O-N 2.88Å
78A96.6Very high96.4Very high33 Ų3399.3 Ų99.327%0.27350%0.498SS..Hα-helixtrans-64.9-41.3178.800000111.5K74 Q75 E81 K82K74-A78 WeakPolarHBondContact O-CB 3.43Å; K74-A78 PolarHBondContact O-N 3.09Å; Q75-A78 PolarHBondContact O-N 2.85Å; Q75-A78 VanDerWaalsContact O-N 3.09Å; A78-E81 PolarHBondContact O-N 3.43Å; A78-K82 WeakPolarHBondContact O-CG 3.46Å; A78-K82 PolarHBondContact O-N 3.39Å
79D96.7Very high96.3Very high76 Ų76100.3 Ų100.341%0.40650%0.503SS..Hα-helixtrans-69.7-36.5178.3-67.5-20.2000111.8Q75 Y76 E81 K82 E83Q75-D79 PolarHBondContact O-N 2.92Å; Y76-D79 PolarHBondContact O-N 3.47Å; D79-E81 VanDerWaalsContact C-N 3.34Å; D79-E81 PolarHBondContact O-N 3.17Å; D79-K82 PolarHBondContact O-N 3.33Å; D79-K82 IonicContact OD1-NZ 2.83Å; D79-K82 PolarHBondContact OD1-NZ 2.86Å; D79-E83 WeakPolarHBondContact O-CB 3.4Å; D79-E83 PolarHBondContact O-N 3.47Å
80M96.4Very high96.1Very high59 Ų5998.1 Ų98.129%0.29150%0.499SS..Hα-helixtrans-63.7-35.6170.5-72-71.19600113.4Y76 K77 E83 K84Y76-M80 HydrophobicContact CD1-CG 4.33Å; Y76-M80 HydrophobicContact CE1-CG 3.93Å; Y76-M80 HydrophobicContact CE2-CE 4.45Å; Y76-M80 HydrophobicContact CE2-CG 4.12Å; Y76-M80 HydrophobicContact CE2-SD 4.36Å; Y76-M80 WeakPolarHBondContact O-CB 3.47Å; Y76-M80 WeakPolarHBondContact O-CG 3.29Å; Y76-M80 PolarHBondContact O-N 3.4Å; K77-M80 PolarHBondContact O-N 3.45Å; M80-E83 WeakPolarHBondContact CE-OE2 3.31Å; M80-K84 WeakPolarHBondContact O-CB 3.48Å; M80-K84 VanDerWaalsContact O-CG 3.24Å; M80-K84 WeakPolarHBondContact O-CG 3.48Å; M80-K84 PolarHBondContact O-N 3.01Å; M80-K84 VanDerWaalsContact O-N 3.08Å
81E95.7Very high95.9Very high141 Ų141101.7 Ų101.766%0.65950%0.504SS*.Hα-helixtrans-70-44.3175.5-173.5169.7-159.600111.3K77 A78 D79 E83 K84 E85K77-E81 PolarHBondContact O-N 2.88Å; A78-E81 PolarHBondContact O-N 3.43Å; D79-E81 VanDerWaalsContact C-N 3.34Å; D79-E81 PolarHBondContact O-N 3.17Å; E81-E83 VanDerWaalsContact C-N 3.35Å; E81-E83 PolarHBondContact O-N 3.27Å; E81-K84 PolarHBondContact O-N 2.91Å; E81-E85 PolarHBondContact O-N 2.88Å
82K96Very high95.7Very high111 Ų111103.8 Ų103.848%0.48351%0.512SS..Hα-helixtrans-59.1-44.6173.1-68.6172.7-158.4152.80111.7A78 D79 K84 E85 V86A78-K82 WeakPolarHBondContact O-CG 3.46Å; A78-K82 PolarHBondContact O-N 3.39Å; D79-K82 PolarHBondContact O-N 3.33Å; D79-K82 IonicContact OD1-NZ 2.83Å; D79-K82 PolarHBondContact OD1-NZ 2.86Å; K82-K84 VanDerWaalsContact C-N 3.33Å; K82-K84 PolarHBondContact O-N 3.41Å; K82-E85 PolarHBondContact O-N 2.97Å; K82-V86 WeakPolarHBondContact O-CB 3.32Å; K82-V86 VanDerWaalsContact O-CG2 3.29Å; K82-V86 WeakPolarHBondContact O-CG2 3.43Å; K82-V86 PolarHBondContact O-N 3.41Å
83E96.3Very high95.4Very high121 Ų121103.7 Ų103.757%0.56551%0.512SS*.Hα-helixtrans-63.3-39.8178.5-172.9177.4-176.300111.5D79 M80 E81 V86 A87D79-E83 WeakPolarHBondContact O-CB 3.4Å; D79-E83 PolarHBondContact O-N 3.47Å; M80-E83 WeakPolarHBondContact CE-OE2 3.31Å; E81-E83 VanDerWaalsContact C-N 3.35Å; E81-E83 PolarHBondContact O-N 3.27Å; E83-V86 PolarHBondContact O-N 3.15Å; E83-A87 VanDerWaalsContact O-CB 3.29Å; E83-A87 WeakPolarHBondContact O-CB 3.47Å; E83-A87 PolarHBondContact O-N 2.94Å
84K96.3Very high95Very high136 Ų136103.9 Ų103.959%0.59151%0.513SS*.Hα-helixtrans-63.9-45.4173.9-75.6172.1-176.7178.10112.3M80 E81 K82 V86 A87 E88M80-K84 WeakPolarHBondContact O-CB 3.48Å; M80-K84 VanDerWaalsContact O-CG 3.24Å; M80-K84 WeakPolarHBondContact O-CG 3.48Å; M80-K84 PolarHBondContact O-N 3.01Å; M80-K84 VanDerWaalsContact O-N 3.08Å; E81-K84 PolarHBondContact O-N 2.91Å; K82-K84 VanDerWaalsContact C-N 3.33Å; K82-K84 PolarHBondContact O-N 3.41Å; K84-V86 VanDerWaalsContact C-N 3.34Å; K84-V86 PolarHBondContact O-N 3.33Å; K84-A87 PolarHBondContact O-N 3.22Å; K84-E88 WeakPolarHBondContact O-CB 3.04Å; K84-E88 WeakPolarHBondContact O-CG 3.31Å; K84-E88 PolarHBondContact O-N 3.03Å
85E94.5Very high94.6Very high121 Ų12199.4 Ų99.457%0.56550%0.498SS*.Hα-helixtrans-59.3-46.3176.7-174-174.7177.400111E81 K82 A87 E88 L89E81-E85 PolarHBondContact O-N 2.88Å; K82-E85 PolarHBondContact O-N 2.97Å; E85-A87 PolarHBondContact O-N 3.25Å; E85-E88 PolarHBondContact O-N 3.22Å; E85-L89 HydrophobicContact CG-CD1 4.08Å; E85-L89 WeakPolarHBondContact O-CB 3.32Å; E85-L89 WeakPolarHBondContact O-CG 3.19Å; E85-L89 PolarHBondContact O-N 2.88Å
86V95.2Very high94.1Very high88 Ų88100.2 Ų100.253%0.53350%0.502SS..Hα-helixtrans-61.6-45.2175.6171.70000111.1K82 E83 K84 E88 L89 V90K82-V86 WeakPolarHBondContact O-CB 3.32Å; K82-V86 VanDerWaalsContact O-CG2 3.29Å; K82-V86 WeakPolarHBondContact O-CG2 3.43Å; K82-V86 PolarHBondContact O-N 3.41Å; E83-V86 PolarHBondContact O-N 3.15Å; K84-V86 VanDerWaalsContact C-N 3.34Å; K84-V86 PolarHBondContact O-N 3.33Å; V86-E88 VanDerWaalsContact C-N 3.32Å; V86-E88 PolarHBondContact O-N 3.33Å; V86-L89 PolarHBondContact O-N 3.5Å; V86-V90 HydrophobicContact CG1-CG2 4.39Å; V86-V90 WeakPolarHBondContact O-CB 3.43Å; V86-V90 VanDerWaalsContact O-CG2 3.28Å; V86-V90 WeakPolarHBondContact O-CG2 3.4Å; V86-V90 PolarHBondContact O-N 3.47Å
87A95.6Very high93.5Very high58 Ų5895.6 Ų95.648%0.47950%0.495SS..Hα-helixtrans-62.4-38.5178.100000112.2E83 K84 E85 R91E83-A87 VanDerWaalsContact O-CB 3.29Å; E83-A87 WeakPolarHBondContact O-CB 3.47Å; E83-A87 PolarHBondContact O-N 2.94Å; K84-A87 PolarHBondContact O-N 3.22Å; E85-A87 PolarHBondContact O-N 3.25Å; A87-R91 VanDerWaalsContact O-CB 3.3Å; A87-R91 WeakPolarHBondContact O-CB 3.25Å; A87-R91 PolarHBondContact O-N 3.24Å
88E94.3Very high92.7Very high120 Ų12095 Ų9556%0.56150%0.499SS*.Hα-helixtrans-68.5-42.7175.7-74.9-177.6-170.200112.4K84 E85 V86 R91 E92K84-E88 WeakPolarHBondContact O-CB 3.04Å; K84-E88 WeakPolarHBondContact O-CG 3.31Å; K84-E88 PolarHBondContact O-N 3.03Å; E85-E88 PolarHBondContact O-N 3.22Å; V86-E88 VanDerWaalsContact C-N 3.32Å; V86-E88 PolarHBondContact O-N 3.33Å; E88-R91 WeakPolarHBondContact O-CB 3.33Å; E88-R91 PolarHBondContact O-N 3.13Å; E88-E92 PolarHBondContact O-N 3.36Å
89L93.7Very high91.7Very high100 Ų100103.5 Ų103.552%0.52452%0.524SS..Hα-helixtrans-60.3-44.7173.7-80.7160.1000111.7E85 V86 R91 E92 A93E85-L89 HydrophobicContact CG-CD1 4.08Å; E85-L89 WeakPolarHBondContact O-CB 3.32Å; E85-L89 WeakPolarHBondContact O-CG 3.19Å; E85-L89 PolarHBondContact O-N 2.88Å; V86-L89 PolarHBondContact O-N 3.5Å; L89-R91 VanDerWaalsContact C-N 3.34Å; L89-E92 PolarHBondContact O-N 3.29Å; L89-A93 WeakPolarHBondContact O-CB 3.42Å; L89-A93 PolarHBondContact O-N 3.33Å
90V94Very high90.1Very high85 Ų85103.7 Ų103.752%0.51553%0.531SS..Hα-helixtrans-63.1-42.4175.5171.20000110.6V86 A93 T94V86-V90 HydrophobicContact CG1-CG2 4.39Å; V86-V90 WeakPolarHBondContact O-CB 3.43Å; V86-V90 VanDerWaalsContact O-CG2 3.28Å; V86-V90 WeakPolarHBondContact O-CG2 3.4Å; V86-V90 PolarHBondContact O-N 3.47Å; V90-A93 PolarHBondContact O-N 2.74Å; V90-T94 HydrophobicContact CG1-CG2 4.42Å; V90-T94 WeakPolarHBondContact O-CB 3.28Å; V90-T94 VanDerWaalsContact O-CG2 3.25Å; V90-T94 WeakPolarHBondContact O-CG2 3.43Å; V90-T94 PolarHBondContact O-N 3.49Å; V90-T94 PolarHBondContact O-OG1 2.97Å
91R92.8Very high88.1Confident144 Ų144104 Ų10454%0.54355%0.55SS..Hα-helixtrans-63.4-41.3175.9-172.3-172.864.778.15.7111.9A87 E88 L89 T94 V95A87-R91 VanDerWaalsContact O-CB 3.3Å; A87-R91 WeakPolarHBondContact O-CB 3.25Å; A87-R91 PolarHBondContact O-N 3.24Å; E88-R91 WeakPolarHBondContact O-CB 3.33Å; E88-R91 PolarHBondContact O-N 3.13Å; L89-R91 VanDerWaalsContact C-N 3.34Å; R91-T94 WeakPolarHBondContact CA-OG1 3.3Å; R91-T94 PolarHBondContact O-OG1 2.87Å; R91-V95 VanDerWaalsContact O-CG2 3.27Å; R91-V95 WeakPolarHBondContact O-CG2 3.44Å; R91-V95 PolarHBondContact O-N 3.44Å; R91-V95 VanDerWaalsContact O-N 3.1Å
92E91.3Very high86.2Confident106 Ų106103.9 Ų103.950%0.49555%0.549SS..Hα-helixtrans-67-45.2175.4-97.9-167.3161.600112.1E88 L89 T94 V95 Q96E88-E92 PolarHBondContact O-N 3.36Å; L89-E92 PolarHBondContact O-N 3.29Å; E92-T94 VanDerWaalsContact C-N 3.33Å; E92-T94 PolarHBondContact O-N 2.95Å; E92-V95 PolarHBondContact O-N 3.04Å; E92-Q96 WeakPolarHBondContact O-CB 3.44Å; E92-Q96 VanDerWaalsContact O-CG 3.31Å; E92-Q96 WeakPolarHBondContact O-CG 3.43Å; E92-Q96 PolarHBondContact O-N 2.72Å
93A91.7Very high84.3Confident57 Ų57104.8 Ų104.847%0.47156%0.557SS.*Hα-helixtrans-60.9-42178.500000111.8L89 V90 Q96 A97L89-A93 WeakPolarHBondContact O-CB 3.42Å; L89-A93 PolarHBondContact O-N 3.33Å; V90-A93 PolarHBondContact O-N 2.74Å; A93-Q96 PolarHBondContact O-N 3.02Å; A93-A97 VanDerWaalsContact O-CB 3.31Å; A93-A97 WeakPolarHBondContact O-CB 3.22Å; A93-A97 PolarHBondContact O-N 3.5Å
94T89.2Confident82.3Confident71 Ų71103.2 Ų103.244%0.43656%0.558SS.*Hα-helixtrans-65.6-41.817651.80000112.2V90 R91 E92 N98V90-T94 HydrophobicContact CG1-CG2 4.42Å; V90-T94 WeakPolarHBondContact O-CB 3.28Å; V90-T94 VanDerWaalsContact O-CG2 3.25Å; V90-T94 WeakPolarHBondContact O-CG2 3.43Å; V90-T94 PolarHBondContact O-N 3.49Å; V90-T94 PolarHBondContact O-OG1 2.97Å; R91-T94 WeakPolarHBondContact CA-OG1 3.3Å; R91-T94 PolarHBondContact O-OG1 2.87Å; E92-T94 VanDerWaalsContact C-N 3.33Å; E92-T94 PolarHBondContact O-N 2.95Å; T94-N98 WeakPolarHBondContact O-CB 3.05Å; T94-N98 VanDerWaalsContact O-CG 3.25Å; T94-N98 PolarHBondContact O-N 2.91Å; T94-N98 PolarHBondContact O-ND2 2.9Å; T94-N98 VanDerWaalsContact O-ND2 3.08Å
95V88.7Confident80.2Confident58 Ų58101.9 Ų101.935%0.35256%0.561SS.*Hα-helixtrans-65.9-40.9174.7172.10000111.7R91 E92 N98 R99R91-V95 VanDerWaalsContact O-CG2 3.27Å; R91-V95 WeakPolarHBondContact O-CG2 3.44Å; R91-V95 PolarHBondContact O-N 3.44Å; R91-V95 VanDerWaalsContact O-N 3.1Å; E92-V95 PolarHBondContact O-N 3.04Å; V95-N98 PolarHBondContact O-N 3.49Å; V95-R99 WeakPolarHBondContact O-CG 3.32Å; V95-R99 PolarHBondContact O-N 3.34Å
96Q86.2Confident78.2Confident120 Ų120101.7 Ų101.756%0.56157%0.568SS**Hα-helixtrans-65.8-42.7176.9-74-176.343.900111.9E92 A93 N98 R99 S100E92-Q96 WeakPolarHBondContact O-CB 3.44Å; E92-Q96 VanDerWaalsContact O-CG 3.31Å; E92-Q96 WeakPolarHBondContact O-CG 3.43Å; E92-Q96 PolarHBondContact O-N 2.72Å; A93-Q96 PolarHBondContact O-N 3.02Å; Q96-N98 VanDerWaalsContact C-N 3.32Å; Q96-N98 PolarHBondContact O-N 3.45Å; Q96-R99 PolarHBondContact O-N 3.47Å; Q96-R99 VanDerWaalsContact O-N 3.15Å; Q96-S100 WeakPolarHBondContact O-CB 3.45Å; Q96-S100 PolarHBondContact O-N 3.12Å; Q96-S100 PolarHBondContact O-OG 3.14Å; Q96-S100 VanDerWaalsContact O-OG 3.09Å
97A85.2Confident76Confident54 Ų54101.9 Ų101.945%0.44657%0.574SS.*Hα-helixtrans-61.1-40174.500000112A93 R99 S100A93-A97 VanDerWaalsContact O-CB 3.31Å; A93-A97 WeakPolarHBondContact O-CB 3.22Å; A93-A97 PolarHBondContact O-N 3.5Å; A97-R99 VanDerWaalsContact C-N 3.33Å; A97-R99 PolarHBondContact O-N 3.21Å; A97-S100 PolarHBondContact O-OG 3.12Å
98N80Confident73.9Confident136 Ų136104.5 Ų104.573%0.72758%0.584SS**Hα-helixtrans-67.8-30.6175.1-73.1-32.4000112.9T94 V95 Q96T94-N98 WeakPolarHBondContact O-CB 3.05Å; T94-N98 VanDerWaalsContact O-CG 3.25Å; T94-N98 PolarHBondContact O-N 2.91Å; T94-N98 PolarHBondContact O-ND2 2.9Å; T94-N98 VanDerWaalsContact O-ND2 3.08Å; V95-N98 PolarHBondContact O-N 3.49Å; Q96-N98 VanDerWaalsContact C-N 3.32Å; Q96-N98 PolarHBondContact O-N 3.45Å
99R77.1Confident71.7Confident212 Ų212104.4 Ų104.480%0.859%0.592SS**Hα-helixtrans-81.7-35.6177.8-76-179.7177.1-170.30.5113.5V95 Q96 A97 G101V95-R99 WeakPolarHBondContact O-CG 3.32Å; V95-R99 PolarHBondContact O-N 3.34Å; Q96-R99 PolarHBondContact O-N 3.47Å; Q96-R99 VanDerWaalsContact O-N 3.15Å; A97-R99 VanDerWaalsContact C-N 3.33Å; A97-R99 PolarHBondContact O-N 3.21Å; R99-G101 PolarHBondContact O-N 2.94Å
100S63.1Low70Confident80 Ų80106.5 Ų106.556%0.55960%0.602SS**Hα-helixtrans-77.6-6.7-173.8620000113.3Q96 A97 H102Q96-S100 WeakPolarHBondContact O-CB 3.45Å; Q96-S100 PolarHBondContact O-N 3.12Å; Q96-S100 PolarHBondContact O-OG 3.14Å; Q96-S100 VanDerWaalsContact O-OG 3.09Å; A97-S100 PolarHBondContact O-OG 3.12Å; S100-H102 PolarHBondContact O-N 3.11Å
101G54.5Low67.9Low66 Ų66108 Ų10868%0.6861%0.607SS**  trans57.64.3177.200000114.1R99 I103R99-G101 PolarHBondContact O-N 2.94Å; G101-I103 PolarHBondContact O-N 3.09Å
102H54Low66.4Low137 Ų137107 Ų10763%0.63462%0.619SS**  trans-92.890.6178.8-167.462.4000106.1S100 P104S100-H102 PolarHBondContact O-N 3.11Å; H102-P104 WeakPolarHBondContact O-CD 3.39Å
103I57.1Low64.6Low130 Ų130107.8 Ų107.867%0.66763%0.631SS**  trans-73.2107.1160.9-50.9169.5000104.4G101 T105G101-I103 PolarHBondContact O-N 3.09Å; I103-T105 HydrophobicContact CB-CG2 4.06Å; I103-T105 HydrophobicContact CG2-CG2 3.41Å; I103-T105 VanDerWaalsContact CG2-CG2 3.41Å; I103-T105 PolarHBondContact O-N 3.05Å
104P55.1Low62.6Low89 Ų89109.7 Ų109.758%0.57864%0.641SS**  trans-6988.2159.930.5-30.7000105.4H102 T106H102-P104 WeakPolarHBondContact O-CD 3.39Å; P104-T106 PolarHBondContact O-N 3.03Å
105T51.6Low61.3Low108 Ų108114.3 Ų114.366%0.66366%0.655SS**  trans-70.169.3164.658.90000107.2I103 S107I103-T105 HydrophobicContact CB-CG2 4.06Å; I103-T105 HydrophobicContact CG2-CG2 3.41Å; I103-T105 VanDerWaalsContact CG2-CG2 3.41Å; I103-T105 PolarHBondContact O-N 3.05Å; T105-S107 PolarHBondContact O-N 3.01Å; T105-S107 VanDerWaalsContact O-N 3.12Å
106T52.2Low59.7Low116 Ų116116.7 Ų116.771%0.71267%0.672SS**  trans-80.675.8153.156.40000105.6P104 V108P104-T106 PolarHBondContact O-N 3.03Å; T106-V108 PolarHBondContact O-N 2.83Å
107S48.7Very low58.1Low93 Ų93118.6 Ų118.665%0.6568%0.679SS**  trans-62.189.6159.851.80000106.4T105 T109T105-S107 PolarHBondContact O-N 3.01Å; T105-S107 VanDerWaalsContact O-N 3.12Å; S107-T109 PolarHBondContact O-N 3.48Å
108V51.1Low56.7Low113 Ų113125.7 Ų125.769%0.68570%0.695SS**  trans-71.685.8159.5-175.30000104.7T106 I110T106-V108 PolarHBondContact O-N 2.83Å; V108-I110 HydrophobicContact CG1-CG1 3.73Å; V108-I110 PolarHBondContact O-N 3.32Å
109T49.4Very low55.6Low118 Ų118125.9 Ų125.972%0.72470%0.696SS**  trans-63.394.2161.338.30000106.4S107 D111S107-T109 PolarHBondContact O-N 3.48Å; T109-D111 VanDerWaalsContact C-N 3.31Å; T109-D111 PolarHBondContact O-N 2.84Å; T109-D111 VanDerWaalsContact O-N 3.09Å
110I56.7Low54.6Low144 Ų144126.1 Ų126.174%0.73870%0.703SS**  trans-74.492.4167.7-53.8175000105.3V108 P112V108-I110 HydrophobicContact CG1-CG1 3.73Å; V108-I110 PolarHBondContact O-N 3.32Å; I110-P112 VanDerWaalsContact O-CD 3.29Å; I110-P112 WeakPolarHBondContact O-CD 3.45Å
111D50.8Low54Low116 Ų116125.4 Ų125.462%0.6271%0.708SS**  trans-63.2119165-97.5-30.1000108.1T109 T113T109-D111 VanDerWaalsContact C-N 3.31Å; T109-D111 PolarHBondContact O-N 2.84Å; T109-D111 VanDerWaalsContact O-N 3.09Å; D111-T113 PolarHBondContact O-N 3.28Å
112P60.5Low54.1Low124 Ų124125.6 Ų125.681%0.80571%0.71SS**THydrogen-bonded Turntrans-72.118.7-177.729-34.4000114.1I110I110-P112 VanDerWaalsContact O-CD 3.29Å; I110-P112 WeakPolarHBondContact O-CD 3.45Å
113T53.9Low54.6Low122 Ų122123.5 Ų123.575%0.74871%0.711SS**THydrogen-bonded Turntrans-130.42.9-175.560.50000114.7D111 K115D111-T113 PolarHBondContact O-N 3.28Å; T113-K115 PolarHBondContact O-N 2.78Å
114S49.1Very low55.3Low96 Ų96121.3 Ų121.367%0.67171%0.707SS**  trans-90.7101.7178.3164.30000111.6
115K62.8Low56.1Low168 Ų168124.9 Ų124.973%0.7372%0.716SS**  trans-48.7144.9168.2-62.1178-177.4-177.80110.8T113 F117T113-K115 PolarHBondContact O-N 2.78Å; K115-F117 PolarHBondContact O-N 3.07Å
116P54.5Low56.9Low109 Ų109129.4 Ų129.471%0.70872%0.721SS**  trans-67.799.4-177.329-33.1000109.4Y118P116-Y118 VanDerWaalsContact O-CD1 3.25Å; P116-Y118 WeakPolarHBondContact O-CD1 3.23Å; P116-Y118 VanDerWaalsContact O-CE1 3.22Å; P116-Y118 WeakPolarHBondContact O-CE1 3.48Å; P116-Y118 PolarHBondContact O-N 3.25Å
117F52.7Low57.8Low160 Ų160127 Ų12770%0.70271%0.712SS**  trans-75.1103.5162.5-92.8-87.6000107.5K115 N119K115-F117 PolarHBondContact O-N 3.07Å; F117-N119 PolarHBondContact O-N 2.78Å
118Y55.6Low59Low203 Ų203129 Ų12980%0.79672%0.716SS**  trans-58.378.5165.319.2-93.5000109.5P116 K120P116-Y118 VanDerWaalsContact O-CD1 3.25Å; P116-Y118 WeakPolarHBondContact O-CD1 3.23Å; P116-Y118 VanDerWaalsContact O-CE1 3.22Å; P116-Y118 WeakPolarHBondContact O-CE1 3.48Å; P116-Y118 PolarHBondContact O-N 3.25Å; Y118-K120 PolarHBondContact O-N 3.19Å
119N56.6Low60Low140 Ų140129.4 Ų129.475%0.74971%0.713SS**  trans-81.6105.8171-75.5-24.1000108.5F117 G121F117-N119 PolarHBondContact O-N 2.78Å; N119-G121 PolarHBondContact O-N 3.05Å
120K55.9Low60.8Low217 Ų217127.3 Ų127.394%0.94371%0.707SS**  trans-59.366.5174.7-139.2167-176.8178.10111Y118 G122Y118-K120 PolarHBondContact O-N 3.19Å; K120-G122 VanDerWaalsContact C-N 3.35Å; K120-G122 PolarHBondContact O-N 2.95Å
121G51.5Low61.3Low65 Ų65127.6 Ų127.667%0.6771%0.711SS**  trans-90.854.8-179.800000113.1N119 S123N119-G121 PolarHBondContact O-N 3.05Å; G121-S123 VanDerWaalsContact C-N 3.28Å; G121-S123 PolarHBondContact O-N 3.12Å
122G55.4Low62.2Low70 Ų70125.6 Ų125.672%0.72271%0.71SS**THydrogen-bonded Turntrans-79.236.9-170.500000116.8K120K120-G122 VanDerWaalsContact C-N 3.35Å; K120-G122 PolarHBondContact O-N 2.95Å
123S66.2Low62.3Low92 Ų92125 Ų12564%0.64370%0.704SS**THydrogen-bonded Turntrans-109-23.9-176.265.80000115.4G121 A127G121-S123 VanDerWaalsContact C-N 3.28Å; G121-S123 PolarHBondContact O-N 3.12Å; S123-A127 PolarHBondContact O-N 3.46Å
124S71.8Confident62.8Low85 Ų85127.8 Ų127.859%0.59471%0.706SS**Hα-helixtrans-77-47.5-172.8-169.20000113.2R126 A127 L128S124-R126 VanDerWaalsContact C-N 3.27Å; S124-R126 PolarHBondContact O-N 3.46Å; S124-A127 PolarHBondContact O-N 3.17Å; S124-L128 PolarHBondContact O-N 2.88Å
125Q70.6Confident63.6Low163 Ų163133.3 Ų133.376%0.76271%0.712SS**Hα-helixtrans-64.7-32.1176.7-71.5176.6-10.800112.1L128 L129Q125-L128 PolarHBondContact O-N 3.04Å; Q125-L129 WeakPolarHBondContact O-CG 3.41Å; Q125-L129 PolarHBondContact O-N 2.78Å
126R68.5Low63.2Low204 Ų204132.1 Ų132.177%0.7771%0.713SS**Hα-helixtrans-72.6-31.1177.9-160.7173.8-170.3-119.62.3112.8S124 L129 A130S124-R126 VanDerWaalsContact C-N 3.27Å; S124-R126 PolarHBondContact O-N 3.46Å; R126-L129 PolarHBondContact O-N 3.47Å; R126-A130 PolarHBondContact O-N 3.02Å; R126-A130 VanDerWaalsContact O-N 3.12Å
127A71.5Confident63Low64 Ų64132.7 Ų132.753%0.52972%0.72SS.*Hα-helixtrans-69.5-34.9175.200000112.3S123 S124 L129 A130S123-A127 PolarHBondContact O-N 3.46Å; S124-A127 PolarHBondContact O-N 3.17Å; A127-L129 VanDerWaalsContact C-N 3.35Å; A127-A130 PolarHBondContact O-N 2.86Å
128L73.2Confident62.9Low137 Ų137128.2 Ų128.272%0.71772%0.719SS**Hα-helixtrans-68.2-34.2175.4-65.5171.9000112.3S124 Q125S124-L128 PolarHBondContact O-N 2.88Å; Q125-L128 PolarHBondContact O-N 3.04Å
129L73.1Confident62.6Low121 Ų121123.6 Ų123.663%0.63472%0.716SS**Hα-helixtrans-84.3-16.7179.4-63.4172.5000113.8Q125 R126 A127 N131 A132Q125-L129 WeakPolarHBondContact O-CG 3.41Å; Q125-L129 PolarHBondContact O-N 2.78Å; R126-L129 PolarHBondContact O-N 3.47Å; A127-L129 VanDerWaalsContact C-N 3.35Å; L129-N131 PolarHBondContact O-N 3.49Å; L129-N131 VanDerWaalsContact O-N 3.14Å; L129-A132 PolarHBondContact O-N 3.2Å; L129-A132 VanDerWaalsContact O-N 3.12Å
130A66.1Low62.2Low73 Ų73124.1 Ų124.160%0.60372%0.718SS**THydrogen-bonded Turntrans-61.9-24.1-174.100000114R126 A127R126-A130 PolarHBondContact O-N 3.02Å; R126-A130 VanDerWaalsContact O-N 3.12Å; A127-A130 PolarHBondContact O-N 2.86Å
131N67.8Low61.8Low151 Ų151121.7 Ų121.781%0.80772%0.715SS**THydrogen-bonded Turntrans-107.2-1.8178.8-66.7-28.6000113.7L129L129-N131 PolarHBondContact O-N 3.49Å; L129-N131 VanDerWaalsContact O-N 3.14Å
132A68.6Low61.5Low73 Ų73127.7 Ų127.760%0.60373%0.728SS**THydrogen-bonded Turntrans-81.3-20.9-174.300000113.6L129L129-A132 PolarHBondContact O-N 3.2Å; L129-A132 VanDerWaalsContact O-N 3.12Å
133V62.7Low61Low111 Ų111129.8 Ų129.867%0.67373%0.732SS**  trans-117.178.9-176.2-1750000110.9R135V133-R135 HydrophobicContact CG1-CG 3.8Å; V133-R135 PolarHBondContact O-N 3Å
134K65.4Low59.9Low182 Ų182129 Ų12979%0.79174%0.738SS**  trans-90.692.1166.9-176.4174.4160.8-174.50108.7
135R66.3Low58.7Low212 Ų212130.2 Ų130.280%0.874%0.744SS**  trans-82.6115.7171.3-63.4-174-63.3148.80.5108.8V133 S137V133-R135 HydrophobicContact CG1-CG 3.8Å; V133-R135 PolarHBondContact O-N 3Å; R135-S137 VanDerWaalsContact C-N 3.35Å; R135-S137 PolarHBondContact O-N 2.91Å
136N54.5Low57.5Low142 Ų142131.7 Ų131.776%0.75975%0.751SS**  trans-68.991.8166.5-77.525.2000108.7G138N136-G138 PolarHBondContact O-N 3.07Å
137S48.5Very low56.8Low122 Ų122126.3 Ų126.385%0.85375%0.745SS**  trans-81.985.4166.458.70000109.3R135R135-S137 VanDerWaalsContact C-N 3.35Å; R135-S137 PolarHBondContact O-N 2.91Å
138G52.4Low55.8Low66 Ų66132.7 Ų132.768%0.6876%0.761SS**  trans-108118.8166.100000109.4N136N136-G138 PolarHBondContact O-N 3.07Å
139S48.1Very low54.4Low105 Ų105138 Ų13873%0.73477%0.771SS**  trans53.7100.8160.7-144.30000117
140L48.1Very low53.9Low152 Ų152137.7 Ų137.780%0.79678%0.779SS**  38.597.589.3-67.2167.3000111.6
141D47.5Very low53Low165 Ų165141.4 Ų141.488%0.88279%0.789SS**  -161.9122.2119.4-92.1-27.7000112.1
142M45.7Very low52.4Low191 Ų191142 Ų14294%0.94179%0.79SS**  trans-79.8114.4174.1-75-81-175.400108.5
143S45Very low51.6Low114 Ų114149.4 Ų149.480%0.79780%0.803SS**  trans-165.196.3165.3176.30000110
144G42.1Very low50.7Low75 Ų75150.2 Ų150.277%0.77381%0.808SS**  trans-98.3149.2158.500000109.7
145P47.1Very low50.1Low112 Ų112147.4 Ų147.473%0.72781%0.808SS**  trans-134.8124.9137.423.2-4.3000110.5
146Q45.4Very low49Very low193 Ų193143 Ų14390%0.90281%0.81SS**  49.8111.694.6-69-92.7-44.300113
147S54.4Low48.6Very low91 Ų91141.2 Ų141.264%0.63681%0.809SS**  157.9117.8124.2177.50000114.8
148K49.6Very low48.5Very low198 Ų198139.7 Ų139.786%0.86180%0.798SS**  trans76.6111.8136.4-66.3171.6-161.7173.60121
149R44.6Very low48.5Very low250 Ų250145.6 Ų145.694%0.94381%0.808SS**  trans-49.6137.3151.7-67.6168.8152.6167.2-7.6112.8
150S62Low48.4Very low114 Ų114149.1 Ų149.180%0.79782%0.815SS**  trans-157.5116.4139.362.60000112.5
151N46.9Very low48.2Very low151 Ų151147.7 Ų147.781%0.80782%0.816SS**  trans-25.2124.4161.1-167.924.9000118.1
152I55.7Low48.1Very low164 Ų164145.4 Ų145.484%0.84181%0.81SS**  trans-140.796.4154.3-61-174.4000111.1
153R51.2Low47.7Very low227 Ų227139.7 Ų139.786%0.85780%0.801SS**  trans-8.2125141-168.9174165.9-147.5-3.7117.9
154T44Very low47.8Very low129 Ų129143 Ų14379%0.79180%0.804SS**  trans-74.3153.716449.70000112.1
155P52.7Low48Very low122 Ų122147 Ų14779%0.79280%0.802SS**  trans-123.2127.9148.132.5-19.4000111.8
156S42.7Very low47.6Very low121 Ų121149 Ų14985%0.84680%0.801SS**  trans-56.6141.5159.2159.80000111.5
157S47.1Very low47.8Very low104 Ų104147.5 Ų147.573%0.72780%0.8SS**  178141.2126-169.10000113.4
158S46.5Very low46.9Very low89 Ų89149.3 Ų149.362%0.62281%0.807SS**  trans72.1112.2150.877.70000121.1
159E52.2Low46.6Very low190 Ų190145.6 Ų145.689%0.88880%0.801SS**  -151.8112.4112-64.4-157.8141.500106.4
160M45.7Very low46.4Very low179 Ų179142.7 Ų142.788%0.88280%0.795SS**  54.49977.2-85.1135.1113.300116
161C44.6Very low45.4Very low122 Ų122144.2 Ų144.282%0.82480%0.8SS**  trans-1.6153.7142.5-81.90000118.5
162P45.8Very low45.3Very low117 Ų117146.3 Ų146.376%0.7680%0.801SS**  -156.7168.464.838.8-16.5000118.7
163G36.7Very low44.7Very low72 Ų72144.7 Ų144.774%0.74280%0.8SS**  trans-84.4159162.200000113.1
164Q47Very low44.6Very low183 Ų183140.5 Ų140.586%0.85579%0.794SS**  trans-148.7118.2166-64.2-169.1-22.400106.1
165H47.1Very low44.9Very low159 Ų159141.6 Ų141.674%0.73680%0.795SS**  58.793.171.3-137.5-71.3000114.4
166E38.6Very low44.9Very low154 Ų154140.7 Ų140.772%0.7279%0.789SS**  trans14128.3136-40.3-179.1-166.400118.4
167N48Very low45Very low161 Ų161140.8 Ų140.886%0.86179%0.785SS**  -173.3144.2128.9-90.8-27.9000114.1
168T35.8Very low44.9Very low130 Ų130142.3 Ų142.380%0.79879%0.789SS**  trans-95.6160.3177-51.90000110.2
169V43.5Very low44.6Very low120 Ų120143.1 Ų143.173%0.72780%0.795SS**  trans107.1103154.8-169.50000117.9
170K40.6Very low44.3Very low189 Ų189142.9 Ų142.982%0.82279%0.791SS**  trans26127.9132.2-53177.8-179178.50119.6
171T42Very low44Very low146 Ų146141.8 Ų141.890%0.89679%0.788SS**  -177.1149.2108.241.40000112.1
172K43.3Very low44Very low194 Ų194143.4 Ų143.484%0.84379%0.788SS**  trans-73.8152.1-176.3-59.9168.1169.5-178.90113.7
173T44.6Very low43.9Very low131 Ų131144.8 Ų144.880%0.80479%0.788SS**  trans-178.6109.5132.540.70000111.5
174D48.5Very low44.5Very low139 Ų139144.8 Ų144.874%0.74379%0.789SS**  45.7108.6128.5-48.2-22.7000122.5
175D50.4Low44.7Very low152 Ų152140.1 Ų140.181%0.81378%0.776SS**  58.6158.6115.3-79.5-11.3000123.3
176P52.2Low45.3Very low103 Ų103138.7 Ų138.767%0.66978%0.778SS**  -141.6-165.3-52.135.7-13.8000112.8
177V44.1Very low46.8Very low123 Ų123138.9 Ų138.975%0.74578%0.781SS**  trans91.7104.9158.9-159.40000117.8
178V45.8Very low48Very low135 Ų135141.6 Ų141.682%0.81878%0.779SS**  -160.8108.1111.5177.10000109.1
179S40.3Very low49.7Very low107 Ų107140.2 Ų140.275%0.74877%0.773SS**  trans-81.1125.1165.943.30000111.7
180K46.9Very low51Low185 Ų185141.4 Ų141.480%0.80478%0.78SS**  trans-153.994.4153.3-94.5-178.2-178.3177.30106.7
181L38.3Very low52.6Low155 Ų155136.8 Ų136.881%0.81278%0.777SS**  50.78589-140.893.3000112.7
182L44.5Very low54.2Low157 Ų157133.7 Ų133.782%0.82276%0.758SS**  trans-147.3101.3155.1-109.2113.9000111
183N44.5Very low55.7Low145 Ų145130.2 Ų130.278%0.77575%0.747SS**  trans-54.1137.1162.1-6239.3000110.2
184G48.9Very low57.3Low73 Ų73130.3 Ų130.375%0.75375%0.75SS**  trans61.367.516100000115.6V186G184-V186 PolarHBondContact O-N 2.87Å
185S50.1Low58.4Low85 Ų85127.6 Ų127.659%0.59476%0.756SS**  trans-75.886.1178-178.90000112M187S185-M187 PolarHBondContact O-N 3.2Å; S185-M187 WeakPolarHBondContact OG-CE 3.35Å
186V60.8Low59.4Low128 Ų128125 Ų12578%0.77674%0.741SS**  trans-71.6103.2156.8179.90000107.3G184 R188G184-V186 PolarHBondContact O-N 2.87Å; V186-R188 PolarHBondContact O-N 2.81Å
187M69.6Low60.2Low158 Ų158124.2 Ų124.278%0.77874%0.738SS**PPolyproline II helixtrans-63.3120.4172.9-76.6-81.5148.300109.3S185S185-M187 PolarHBondContact O-N 3.2Å; S185-M187 WeakPolarHBondContact OG-CE 3.35Å
188R72.4Confident61.3Low218 Ų218124.7 Ų124.782%0.82373%0.732SS**PPolyproline II helixtrans-93.3133.1172.7-58.3-162.1-146.9-179.47.3109.7V186 V190V186-R188 PolarHBondContact O-N 2.81Å; R188-V190 PolarHBondContact O-N 3.05Å
189P73Confident62.3Low102 Ų102127.5 Ų127.566%0.66273%0.729SS**PPolyproline II helixtrans-65.2127.7173.724.8-30.2000110.4
190V70.1Confident63.3Low145 Ų145127.2 Ų127.288%0.87973%0.727SS**  trans-95.4-11.4-175.3175.20000112.5R188R188-V190 PolarHBondContact O-N 3.05Å
191A75.3Confident63.6Low91 Ų91125.4 Ų125.475%0.75273%0.732SS**  trans-163.7150.8172.500000112
192V75.6Confident64.3Low82 Ų82122.9 Ų122.950%0.49773%0.727SS.*  trans-113.3122.9175.6-178.50000108.6L196 E198V192-L196 WeakPolarHBondContact CG1-O 3.33Å; V192-E198 HydrophobicContact CG2-CG 4.29Å
193L74.7Confident65Low120 Ų120122 Ų12263%0.62872%0.724SS**  trans-73.8137.3177.9-73.5169.4000110.3G195 L196L193-G195 PolarHBondContact O-N 3.3Å; L193-G195 VanDerWaalsContact O-N 3.12Å; L193-L196 HydrophobicContact CB-CB 4.3Å; L193-L196 HydrophobicContact CB-CD1 4.13Å; L193-L196 HydrophobicContact CD1-CD1 3.96Å; L193-L196 PolarHBondContact O-N 2.91Å
194P76.7Confident65.4Low133 Ų133120.4 Ų120.486%0.86472%0.723SS**THydrogen-bonded Turntrans-55.6120174.2-22.732.3000110.8
195G73.1Confident65.8Low83 Ų83123.6 Ų123.686%0.85672%0.723SS**THydrogen-bonded Turntrans96.6-4.3-177.100000115.4L193L193-G195 PolarHBondContact O-N 3.3Å; L193-G195 VanDerWaalsContact O-N 3.12Å
196L71.5Confident66.1Low98 Ų98127.9 Ų127.951%0.51373%0.734SS.*  trans-118.586.6171.6-73.9170.3000108.6V192 L193V192-L196 WeakPolarHBondContact CG1-O 3.33Å; L193-L196 HydrophobicContact CB-CB 4.3Å; L193-L196 HydrophobicContact CB-CD1 4.13Å; L193-L196 HydrophobicContact CD1-CD1 3.96Å; L193-L196 PolarHBondContact O-N 2.91Å
197S68.3Low66Low85 Ų85126.8 Ų126.859%0.59473%0.732SS**  trans-69.8148.1169.250.30000110.5Y199S197-Y199 PolarHBondContact O-N 2.61Å
198E67.4Low65.7Low134 Ų134125 Ų12563%0.62673%0.73SS**  trans-52.8110.1173-66.8168.1179.400110.2V192 S200V192-E198 HydrophobicContact CG2-CG 4.29Å; E198-S200 VanDerWaalsContact C-N 3.29Å; E198-S200 PolarHBondContact O-N 2.94Å
199Y67.1Low65.1Low194 Ų194120.7 Ų120.776%0.76172%0.723SS**  trans-73.793163.2-63.1-81.6000106.1S197 T201S197-Y199 PolarHBondContact O-N 2.61Å; Y199-T201 PolarHBondContact O-N 3.34Å
200S59.7Low64.3Low101 Ų101119.9 Ų119.971%0.70672%0.72SS**  trans-47.1129161.5-80.30000107.4E198 S202E198-S200 VanDerWaalsContact C-N 3.29Å; E198-S200 PolarHBondContact O-N 2.94Å; S200-S202 VanDerWaalsContact C-N 3.28Å; S200-S202 PolarHBondContact O-N 3.18Å
201T53.4Low63.9Low147 Ų147118.6 Ų118.690%0.90271%0.709SS**  trans-44.992.7175.652.40000109.5Y199Y199-T201 PolarHBondContact O-N 3.34Å
202S53.9Low63.1Low101 Ų101121.1 Ų121.171%0.70671%0.709SS**  trans-112.2104.6176.8-172.40000104.4S200 S204S200-S202 VanDerWaalsContact C-N 3.28Å; S200-S202 PolarHBondContact O-N 3.18Å; S202-S204 PolarHBondContact O-N 2.94Å
203D58.8Low62.4Low140 Ų140123.6 Ų123.675%0.74972%0.72SS**  trans-36.1110.1172.9-81.9-44.6000110
204S53.9Low61.6Low110 Ų110126.1 Ų126.177%0.76973%0.728SS**  trans-96.386.6162.1-72.30000106.2S202 Q206S202-S204 PolarHBondContact O-N 2.94Å; S204-Q206 PolarHBondContact O-N 3.38Å
205D56.5Low60.6Low140 Ų140124.8 Ų124.875%0.74972%0.722SS**  trans-65.678.5163.1-62.3-43000108.3S207D205-S207 VanDerWaalsContact C-N 3.33Å; D205-S207 PolarHBondContact O-N 3.02Å
206Q57.5Low60.1Low175 Ų175125.3 Ų125.382%0.81871%0.709SS**  trans-90.480.7157.1-77.4-163.814.200107.7S204 T208S204-Q206 PolarHBondContact O-N 3.38Å; Q206-T208 PolarHBondContact O-N 2.92Å; Q206-T208 VanDerWaalsContact O-N 3.15Å
207S58.3Low59.6Low105 Ų105124.2 Ų124.273%0.73470%0.703SS**  trans-70.796.7158.451.50000107.7D205 D209D205-S207 VanDerWaalsContact C-N 3.33Å; D205-S207 PolarHBondContact O-N 3.02Å; S207-D209 PolarHBondContact O-N 3.43Å
208T62.3Low59.8Low122 Ų122125.5 Ų125.575%0.74871%0.707SS**  trans-71.888.5158.8-62.30000106.9Q206 S210Q206-T208 PolarHBondContact O-N 2.92Å; Q206-T208 VanDerWaalsContact O-N 3.15Å; T208-S210 PolarHBondContact O-N 2.87Å
209D61.1Low60Low126 Ų126125.4 Ų125.467%0.67471%0.707SS**  trans-76.497.2167.9-158.622.5000106.7S207S207-D209 PolarHBondContact O-N 3.43Å
210S55.8Low60.6Low86 Ų86120.4 Ų120.460%0.60169%0.693SS**  trans-99.986172.7-152.20000106.5T208 D212T208-S210 PolarHBondContact O-N 2.87Å; S210-D212 PolarHBondContact O-N 3.38Å; S210-D212 PolarHBondContact OG-OD2 3.02Å
211D61.7Low61.6Low118 Ų118118.4 Ų118.463%0.63168%0.683SS**  trans-68.279.6164.1-69-48.2000108.3D213D211-D213 PolarHBondContact O-N 3.48Å; D211-D213 VanDerWaalsContact O-N 3.07Å
212D58.3Low63Low143 Ų143115.7 Ų115.777%0.76567%0.666SS**  trans-79.274.3160.4-78.6-55.4000108.2S210 E214S210-D212 PolarHBondContact O-N 3.38Å; S210-D212 PolarHBondContact OG-OD2 3.02Å; D212-E214 PolarHBondContact O-N 3.44Å
213D60.3Low64.3Low134 Ų134114.2 Ų114.272%0.71766%0.655SS**  trans-68.671.3163.8-85.2-44.9000109.4D211 S215D211-D213 PolarHBondContact O-N 3.48Å; D211-D213 VanDerWaalsContact O-N 3.07Å; D213-S215 PolarHBondContact O-N 3.47Å
214E57.2Low65.6Low173 Ų173110.9 Ų110.981%0.80864%0.64SS**  trans-74.774.4158.9-161172.212800108D212 T216D212-E214 PolarHBondContact O-N 3.44Å; E214-T216 PolarHBondContact O-N 2.96Å
215S57.4Low67.3Low105 Ų105111.4 Ų111.473%0.73463%0.633SS**  trans-74.376.4175.252.90000110.2D213D213-S215 PolarHBondContact O-N 3.47Å
216T62.2Low68.7Low95 Ų95110.4 Ų110.458%0.58362%0.624SS**  trans-101.994158.857.50000107.8E214E214-T216 PolarHBondContact O-N 2.96Å
217D59.9Low70.1Confident74 Ų74108.2 Ų108.240%0.39661%0.614SS.*  trans7675142.5-45.8-50.7000117.1E219 D220 A221D217-E219 PolarHBondContact O-N 3.07Å; D217-D220 HydrophobicContact CB-CB 3.29Å; D217-D220 WeakPolarHBondContact CB-OD2 3.5Å; D217-D220 PolarHBondContact O-N 2.71Å; D217-A221 PolarHBondContact O-N 3.02Å
218V72.5Confident71.5Confident112 Ų112107.2 Ų107.268%0.67960%0.6SS**Hα-helixtrans-53.4-35.8159.1171.70000109.7A221 V222V218-A221 PolarHBondContact O-N 3.11Å; V218-V222 VanDerWaalsContact O-CG2 3.31Å; V218-V222 WeakPolarHBondContact O-CG2 3.24Å; V218-V222 PolarHBondContact O-N 3.45Å
219E72.9Confident72.7Confident133 Ų133103.5 Ų103.562%0.62158%0.581SS**Hα-helixtrans-63.3-38.7172.6-67.574.2-164.900112.8D217 V222 C223D217-E219 PolarHBondContact O-N 3.07Å; E219-V222 PolarHBondContact O-N 3.16Å; E219-C223 WeakPolarHBondContact O-CB 3.49Å; E219-C223 PolarHBondContact O-N 3.18Å; E219-C223 PolarHBondContact O-SG 3.06Å
220D79.6Confident74Confident88 Ų88100.1 Ų100.147%0.47157%0.566SS.*Hα-helixtrans-75.7-33.2175.8-69.2-8.4000111.9D217 V222 C223 T224D217-D220 HydrophobicContact CB-CB 3.29Å; D217-D220 WeakPolarHBondContact CB-OD2 3.5Å; D217-D220 PolarHBondContact O-N 2.71Å; D220-V222 VanDerWaalsContact C-N 3.31Å; D220-V222 PolarHBondContact O-N 3.12Å; D220-C223 PolarHBondContact O-N 3.35Å; D220-T224 WeakPolarHBondContact O-CB 3.34Å; D220-T224 WeakPolarHBondContact O-CG2 3.34Å; D220-T224 PolarHBondContact O-N 3.14Å; D220-T224 PolarHBondContact O-OG1 3.08Å
221A80Confident75.3Confident59 Ų5998.2 Ų98.249%0.48855%0.551SS.*Hα-helixtrans-61.4-41.3171.600000111.1D217 V218 T224 L225D217-A221 PolarHBondContact O-N 3.02Å; V218-A221 PolarHBondContact O-N 3.11Å; A221-T224 WeakPolarHBondContact CA-OG1 3.3Å; A221-T224 PolarHBondContact O-OG1 2.83Å; A221-L225 WeakPolarHBondContact O-CB 3.48Å; A221-L225 PolarHBondContact O-N 3.42Å
222V82.9Confident76.4Confident91 Ų91101.4 Ų101.455%0.55255%0.554SS**Hα-helixtrans-67.8-42.5173.9173.10000111V218 E219 D220 L225 Q226V218-V222 VanDerWaalsContact O-CG2 3.31Å; V218-V222 WeakPolarHBondContact O-CG2 3.24Å; V218-V222 PolarHBondContact O-N 3.45Å; E219-V222 PolarHBondContact O-N 3.16Å; D220-V222 VanDerWaalsContact C-N 3.31Å; D220-V222 PolarHBondContact O-N 3.12Å; V222-L225 PolarHBondContact O-N 3.26Å; V222-Q226 WeakPolarHBondContact O-CB 3.26Å; V222-Q226 PolarHBondContact O-N 2.9Å
223C81.5Confident77.5Confident69 Ų69100.2 Ų100.247%0.46655%0.547SS..Hα-helixtrans-63.1-43.1178.1-73.40000112.4E219 D220 Q226 Q227E219-C223 WeakPolarHBondContact O-CB 3.49Å; E219-C223 PolarHBondContact O-N 3.18Å; E219-C223 PolarHBondContact O-SG 3.06Å; D220-C223 PolarHBondContact O-N 3.35Å; C223-Q226 PolarHBondContact O-N 3.31Å; C223-Q227 WeakPolarHBondContact O-CB 3.4Å; C223-Q227 VanDerWaalsContact O-CG 3.3Å; C223-Q227 WeakPolarHBondContact O-CG 3.45Å; C223-Q227 PolarHBondContact O-N 3.18Å
224T86.5Confident78.3Confident70 Ų70102 Ų10243%0.42954%0.544SS..Hα-helixtrans-65.5-42.9176.749.80000111.5D220 A221 Q226 Q227 I228D220-T224 WeakPolarHBondContact O-CB 3.34Å; D220-T224 WeakPolarHBondContact O-CG2 3.34Å; D220-T224 PolarHBondContact O-N 3.14Å; D220-T224 PolarHBondContact O-OG1 3.08Å; A221-T224 WeakPolarHBondContact CA-OG1 3.3Å; A221-T224 PolarHBondContact O-OG1 2.83Å; T224-Q226 PolarHBondContact O-N 3.42Å; T224-Q227 PolarHBondContact O-N 2.86Å; T224-I228 WeakPolarHBondContact O-CD1 3.36Å; T224-I228 VanDerWaalsContact O-CG1 3.22Å; T224-I228 WeakPolarHBondContact O-CG1 3.47Å; T224-I228 PolarHBondContact O-N 3.24Å
225L88.1Confident79.1Confident122 Ų122101.2 Ų101.264%0.63953%0.534SS*.Hα-helixtrans-64.2-41.9176.7-162.869.8000112A221 V222 I228 A229A221-L225 WeakPolarHBondContact O-CB 3.48Å; A221-L225 PolarHBondContact O-N 3.42Å; V222-L225 PolarHBondContact O-N 3.26Å; L225-I228 PolarHBondContact O-N 3.5Å; L225-A229 WeakPolarHBondContact O-CB 3.31Å; L225-A229 PolarHBondContact O-N 3.03Å
226Q87Confident79.9Confident118 Ų11899.7 Ų99.755%0.55153%0.528SS*.Hα-helixtrans-62.8-42.9175-176.163.335.300111.5V222 C223 T224 A229 C230V222-Q226 WeakPolarHBondContact O-CB 3.26Å; V222-Q226 PolarHBondContact O-N 2.9Å; C223-Q226 PolarHBondContact O-N 3.31Å; T224-Q226 PolarHBondContact O-N 3.42Å; Q226-A229 PolarHBondContact O-N 3.14Å; Q226-C230 PolarHBondContact NE2-SG 3.26Å; Q226-C230 VanDerWaalsContact NE2-SG 3.44Å; Q226-C230 WeakPolarHBondContact O-CB 3.39Å; Q226-C230 PolarHBondContact O-N 3.1Å; Q226-C230 PolarHBondContact O-SG 3.41Å; Q226-C230 VanDerWaalsContact O-SG 3.32Å
227Q87.4Confident80.1Confident130 Ų130103.4 Ų103.461%0.60754%0.536SS*.Hα-helixtrans-62-44.4175-77.6175.1-3.300111.8C223 T224 A229 C230 T231C223-Q227 WeakPolarHBondContact O-CB 3.4Å; C223-Q227 VanDerWaalsContact O-CG 3.3Å; C223-Q227 WeakPolarHBondContact O-CG 3.45Å; C223-Q227 PolarHBondContact O-N 3.18Å; T224-Q227 PolarHBondContact O-N 2.86Å; Q227-A229 PolarHBondContact O-N 3.32Å; Q227-C230 PolarHBondContact O-N 2.86Å; Q227-T231 WeakPolarHBondContact O-CB 3.44Å; Q227-T231 PolarHBondContact O-N 2.94Å; Q227-T231 PolarHBondContact O-OG1 3.49Å
228I87.4Confident80.4Confident84 Ų84102.7 Ų102.743%0.43154%0.541SS..Hα-helixtrans-60-46.4176.3-68.6163.4000110.5T224 L225 T231 R232T224-I228 WeakPolarHBondContact O-CD1 3.36Å; T224-I228 VanDerWaalsContact O-CG1 3.22Å; T224-I228 WeakPolarHBondContact O-CG1 3.47Å; T224-I228 PolarHBondContact O-N 3.24Å; L225-I228 PolarHBondContact O-N 3.5Å; I228-T231 PolarHBondContact O-N 3.04Å; I228-R232 PolarHBondContact O-N 3.43Å
229A87.8Confident79.9Confident43 Ų43104 Ų10436%0.35554%0.544SS..Hα-helixtrans-61.8-48.2179.200000112.2L225 Q226 Q227 T231 R232 I233L225-A229 WeakPolarHBondContact O-CB 3.31Å; L225-A229 PolarHBondContact O-N 3.03Å; Q226-A229 PolarHBondContact O-N 3.14Å; Q227-A229 PolarHBondContact O-N 3.32Å; A229-T231 PolarHBondContact O-N 3.01Å; A229-R232 PolarHBondContact O-N 3.42Å; A229-I233 WeakPolarHBondContact O-CG1 3.47Å; A229-I233 PolarHBondContact O-N 2.92Å; A229-I233 VanDerWaalsContact O-N 3.12Å
230C87.7Confident79.3Confident55 Ų55100.9 Ų100.937%0.37255%0.547SS..Hα-helixtrans-58.5-36.5175.8-74.50000112.4Q226 Q227 R234Q226-C230 PolarHBondContact NE2-SG 3.26Å; Q226-C230 VanDerWaalsContact NE2-SG 3.44Å; Q226-C230 WeakPolarHBondContact O-CB 3.39Å; Q226-C230 PolarHBondContact O-N 3.1Å; Q226-C230 PolarHBondContact O-SG 3.41Å; Q226-C230 VanDerWaalsContact O-SG 3.32Å; Q227-C230 PolarHBondContact O-N 2.86Å; C230-R234 WeakPolarHBondContact O-CG 3.45Å; C230-R234 PolarHBondContact O-N 3.29Å
231T83.6Confident78.2Confident46 Ų46100.7 Ų100.728%0.28256%0.558SS.*Hα-helixtrans-72.7-42.1-178.5-47.20000111.3Q227 I228 A229 I233 R234 Y235Q227-T231 WeakPolarHBondContact O-CB 3.44Å; Q227-T231 PolarHBondContact O-N 2.94Å; Q227-T231 PolarHBondContact O-OG1 3.49Å; I228-T231 PolarHBondContact O-N 3.04Å; A229-T231 PolarHBondContact O-N 3.01Å; T231-I233 PolarHBondContact O-N 3.26Å; T231-R234 PolarHBondContact O-N 3.39Å; T231-Y235 HydrophobicContact CG2-CD2 3.88Å; T231-Y235 HydrophobicContact CG2-CE2 3.47Å; T231-Y235 VanDerWaalsContact CG2-CE2 3.47Å; T231-Y235 WeakPolarHBondContact O-CD2 3.33Å; T231-Y235 PolarHBondContact O-N 2.67Å; T231-Y235 VanDerWaalsContact O-N 3.13Å
232R83.8Confident77.2Confident185 Ų185102.9 Ų102.970%0.69857%0.565SS**Hα-helixtrans-61.6-41.1174.9-74.3-179.3176.9164.40.4112.9I228 A229 R234 Y235 A236I228-R232 PolarHBondContact O-N 3.43Å; A229-R232 PolarHBondContact O-N 3.42Å; R232-R234 VanDerWaalsContact C-N 3.33Å; R232-R234 PolarHBondContact O-N 3.41Å; R232-Y235 PolarHBondContact O-N 2.97Å; R232-A236 WeakPolarHBondContact O-CB 3.48Å; R232-A236 PolarHBondContact O-N 3.07Å
233I82Confident75.9Confident119 Ų119105.6 Ų105.661%0.6158%0.577SS**Hα-helixtrans-64-39.2177.4-65.4166.5000111A229 T231 K237A229-I233 WeakPolarHBondContact O-CG1 3.47Å; A229-I233 PolarHBondContact O-N 2.92Å; A229-I233 VanDerWaalsContact O-N 3.12Å; T231-I233 PolarHBondContact O-N 3.26Å; I233-K237 WeakPolarHBondContact O-CB 3.39Å; I233-K237 PolarHBondContact O-N 3.02Å; I233-K237 VanDerWaalsContact O-N 3.15Å
234R76.3Confident74.5Confident171 Ų171110.7 Ų110.765%0.64560%0.599SS**Hα-helixtrans-65-42.8177.3-76-171.5-66.2164.7-0112.6C230 T231 R232 K237 A238C230-R234 WeakPolarHBondContact O-CG 3.45Å; C230-R234 PolarHBondContact O-N 3.29Å; T231-R234 PolarHBondContact O-N 3.39Å; R232-R234 VanDerWaalsContact C-N 3.33Å; R232-R234 PolarHBondContact O-N 3.41Å; R234-K237 PolarHBondContact O-N 2.94Å; R234-A238 PolarHBondContact O-N 3.15Å
235Y75.1Confident72.9Confident156 Ų156119 Ų11961%0.61264%0.641SS**Hα-helixtrans-69.2-40.7177.2-73.4-66.3000112.3T231 R232 K237 A238 D239T231-Y235 HydrophobicContact CG2-CD2 3.88Å; T231-Y235 HydrophobicContact CG2-CE2 3.47Å; T231-Y235 VanDerWaalsContact CG2-CE2 3.47Å; T231-Y235 WeakPolarHBondContact O-CD2 3.33Å; T231-Y235 PolarHBondContact O-N 2.67Å; T231-Y235 VanDerWaalsContact O-N 3.13Å; R232-Y235 PolarHBondContact O-N 2.97Å; Y235-K237 PolarHBondContact O-N 3.32Å; Y235-A238 PolarHBondContact O-N 3.19Å; Y235-D239 PolarHBondContact O-N 2.93Å
236A73.5Confident72.1Confident73 Ų73118.9 Ų118.960%0.60364%0.642SS**Hα-helixtrans-61.1-29.3175.400000113.2R232 G240R232-A236 WeakPolarHBondContact O-CB 3.48Å; R232-A236 PolarHBondContact O-N 3.07Å; A236-G240 PolarHBondContact O-N 3.41Å
237K67.6Low71.3Confident174 Ų174118.9 Ų118.976%0.75765%0.646SS**Hα-helixtrans-82.5-22.1176.8-161.6171.4-178177.70113.3I233 R234 Y235I233-K237 WeakPolarHBondContact O-CB 3.39Å; I233-K237 PolarHBondContact O-N 3.02Å; I233-K237 VanDerWaalsContact O-N 3.15Å; R234-K237 PolarHBondContact O-N 2.94Å; Y235-K237 PolarHBondContact O-N 3.32Å
238A65.8Low70.4Confident59 Ų59118.3 Ų118.349%0.48865%0.648SS.*Hα-helixtrans-83.2-38.6176.800000112R234 Y235 G240R234-A238 PolarHBondContact O-N 3.15Å; Y235-A238 PolarHBondContact O-N 3.19Å; A238-G240 VanDerWaalsContact C-N 3.34Å
239D61.4Low69.4Low138 Ų138120.4 Ų120.474%0.73866%0.661SS**Hα-helixtrans-79.3-14.2178.8-75-21.3000113.5Y235Y235-D239 PolarHBondContact O-N 2.93Å
240G59.8Low68.3Low68 Ų68125.2 Ų125.270%0.70168%0.68SS**THydrogen-bonded Turntrans-90.71177.900000115.6A236 A238A236-G240 PolarHBondContact O-N 3.41Å; A238-G240 VanDerWaalsContact C-N 3.34Å
241A56.9Low67Low84 Ų84129.9 Ų129.969%0.69470%0.701SS**SBendtrans-110.25.4-174.600000114.2
242V58.7Low65.8Low106 Ų106135.9 Ų135.964%0.64273%0.731SS**SBendtrans-122111.3176.8-168.60000105.6
243D56.5Low64.4Low148 Ų148132.1 Ų132.179%0.79173%0.733SS**SBendtrans12942.7170.3-62.8-16.4000115.8
244N51.8Low63Low176 Ų176133.2 Ų133.294%0.94174%0.744SS**  trans-148.775.4155.4-87.2-73.1000110.4
245D52Low61.7Low245 Ų245129.7 Ų129.7100%1.3175%0.753SS**  trans-157.30149.2-139.54.3000109.4

Retrieved 245 of 245 residues in 40.5 ms (Link to these results)