A0A3B3UZ20_9TELE Loading...

SH3 domain-binding protein 5

Functions as guanine nucleotide exchange factor (GEF) for RAB11A.

AlphaFold DB , UniProt , Accession A0A3B3UZ20, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 464 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
1M36.4Very low40.4Very low245 Ų245170.3 Ų170.3100%1.20782%0.818SS**  086.70-64.3173.2-179.700105.1
2D40.3Very low40.3Very low144 Ų144168 Ų16877%0.7781%0.813SS**  86.8100.258.9-17932000111.8
3R38.7Very low40.5Very low227 Ų227166.3 Ų166.386%0.85780%0.803SS**  -158.8133.6122.5-125.4-179.7-178.7-164.4-2110.8
4S45.5Very low40.7Very low104 Ų104159.1 Ų159.173%0.72779%0.785SS**  trans-83.6139.8168.5-51.60000110.5
5E43.4Very low40.8Very low189 Ų189158.1 Ų158.188%0.88378%0.784SS**  trans-122.9145.8149.8-68.6-167.2161.900108.7
6K47.8Very low41Very low163 Ų163160.6 Ų160.671%0.70978%0.783SS**  trans-14186.9-157.7-178.7-159.8173.9-167.90109.2H8K6-H8 PolarHBondContact O-N 2.86Å
7E37.6Very low41.5Very low184 Ų184160 Ų16086%0.8678%0.778SS**  trans-81.9110.6168.4-68.6-153124.300110
8H43.6Very low42Very low161 Ų161160.4 Ų160.475%0.74579%0.785SS**  trans-67.8135153.6-87.8-51.3000108.3K6K6-H8 PolarHBondContact O-N 2.86Å
9R36.1Very low43.3Very low218 Ų218157.7 Ų157.782%0.82377%0.771SS**  trans-146.8104.1153.6-136.5168.5-176.3147.70.6110.8
10S36.4Very low44.6Very low85 Ų85159.2 Ų159.259%0.59478%0.776SS**  trans40.696.3162.349.80000116.4D12S10-D12 PolarHBondContact O-N 3.21Å
11D38.4Very low46Very low153 Ų153157 Ų15782%0.81877%0.771SS**  trans-58.196.7131.4-66.8-51.4000106.7E13D11-E13 HydrophobicContact CB-CG 4.27Å; D11-E13 PolarHBondContact O-N 3.24Å; D11-E13 VanDerWaalsContact O-N 3.09Å
12D39.9Very low48.1Very low143 Ų143146.7 Ų146.777%0.76572%0.721SS**  trans-76.568.6151.4-79.9-51.6000106.7S10 A14S10-D12 PolarHBondContact O-N 3.21Å; D12-A14 PolarHBondContact O-N 2.63Å
13E42.7Very low50.2Low146 Ų146145.1 Ų145.168%0.68272%0.719SS**  trans-65.178154.2-82.2-77.6-162.500106.1D11 D15D11-E13 HydrophobicContact CB-CG 4.27Å; D11-E13 PolarHBondContact O-N 3.24Å; D11-E13 VanDerWaalsContact O-N 3.09Å; E13-D15 PolarHBondContact O-N 3.33Å
14A42.9Very low52.7Low66 Ų66139 Ų13955%0.54570%0.696SS.*  trans-64.1105.1173.300000106.6D12 Y16D12-A14 PolarHBondContact O-N 2.63Å; A14-Y16 WeakPolarHBondContact O-CD2 3.45Å; A14-Y16 PolarHBondContact O-N 2.7Å
15D42.3Very low54.9Low144 Ų144136.1 Ų136.177%0.7767%0.672SS**  trans-40.8102.8-171-151-10.7000110.5E13 E17E13-D15 PolarHBondContact O-N 3.33Å; D15-E17 PolarHBondContact O-N 3.47Å
16Y43.6Very low57.3Low197 Ų197133.1 Ų133.177%0.77366%0.658SS**  trans-75.769.6178.1-75.1-78.7000107.5A14 D18A14-Y16 WeakPolarHBondContact O-CD2 3.45Å; A14-Y16 PolarHBondContact O-N 2.7Å; Y16-D18 PolarHBondContact O-N 2.66Å
17E50Low59.5Low151 Ų151126.6 Ų126.671%0.70664%0.637SS**  trans-50.6116.5160.7-73.1-165.2155.100106.6D15 E19D15-E17 PolarHBondContact O-N 3.47Å; E17-E19 PolarHBondContact O-N 3.26Å
18D50.8Low62.3Low167 Ų167119 Ų11989%0.89360%0.601SS**  trans-73.173.4-178.3-157.910000107.5Y16 E20Y16-D18 PolarHBondContact O-N 2.66Å; D18-E20 PolarHBondContact O-N 2.92Å
19E66Low64.8Low110 Ų110115.1 Ų115.151%0.51459%0.586SS.*  trans-55.3100.9-167.4-86.5-173.9108.900110.3E17 V21 R241E17-E19 PolarHBondContact O-N 3.26Å; E19-V21 PolarHBondContact O-N 3Å; E19-V21 VanDerWaalsContact O-N 3.09Å; E19-R241 IonicContact OE1-CZ 2.81Å; E19-R241 IonicContact OE1-NE 2.59Å; E19-R241 PolarHBondContact OE1-NE 2.9Å; E19-R241 IonicContact OE1-NH2 2.68Å; E19-R241 PolarHBondContact OE1-NH2 3.43Å; E19-R241 IonicContact OE2-CZ 2.72Å; E19-R241 IonicContact OE2-NE 3.79Å; E19-R241 PolarHBondContact OE2-NE 3.31Å; E19-R241 VanDerWaalsContact OE2-NE 3.08Å; E19-R241 IonicContact OE2-NH2 3.67Å; E19-R241 PolarHBondContact OE2-NH2 3.32Å
20E69.7Low67.7Low187 Ų187110.1 Ų110.187%0.87457%0.572SS**PPolyproline II helixtrans-55.2117-170.5-170.6171.2-159.100110.7D18 D22D18-E20 PolarHBondContact O-N 2.92Å; E20-D22 PolarHBondContact O-N 2.97Å; E20-D22 VanDerWaalsContact O-N 3.15Å
21V74.5Confident70.6Confident112 Ų112111.1 Ų111.168%0.67957%0.566SS**PPolyproline II helixtrans-58.2120.3-171.4179.40000109.8E19 P23 I25E19-V21 PolarHBondContact O-N 3Å; E19-V21 VanDerWaalsContact O-N 3.09Å; V21-P23 WeakPolarHBondContact O-CD 3.23Å; V21-I25 HydrophobicContact CG1-CD1 4.25Å
22D79.9Confident73.4Confident30 Ų30105 Ų10516%0.1653%0.533CS..PPolyproline II helixtrans-51.8116.4-176-175.8-32.7000110.6E20 R24 I25 I237E20-D22 PolarHBondContact O-N 2.97Å; E20-D22 VanDerWaalsContact O-N 3.15Å; D22-R24 PolarHBondContact O-N 3.25Å; D22-R24 WeakPolarHBondContact OD1-CB 3.36Å; D22-R24 WeakPolarHBondContact OD1-CG 3.48Å; D22-R24 PolarHBondContact OD1-N 2.91Å; D22-R24 IonicContact OD1-NE 3.28Å; D22-R24 PolarHBondContact OD1-NE 3.5Å; D22-R24 VanDerWaalsContact OD1-NE 3.08Å; D22-R24 IonicContact OD2-CZ 2.72Å; D22-R24 VanDerWaalsContact OD2-CZ 3.22Å; D22-R24 IonicContact OD2-NE 2.7Å; D22-R24 PolarHBondContact OD2-NE 2.89Å; D22-R24 IonicContact OD2-NH2 3.03Å; D22-R24 PolarHBondContact OD2-NH2 3.23Å; D22-I25 HydrophobicContact CB-CD1 3.95Å; D22-I25 HydrophobicContact CB-CG1 4.13Å; D22-I25 VanDerWaalsContact O-CB 3.29Å; D22-I25 WeakPolarHBondContact O-CB 3.49Å; D22-I25 WeakPolarHBondContact O-CG1 3.29Å; D22-I25 PolarHBondContact O-N 3.42Å; D22-I237 HydrophobicContact CB-CD1 3.91Å
23P84.6Confident76.1Confident111 Ų111103 Ų10372%0.72152%0.522SS*.Hα-helixtrans-64.9-13.4-17224.9-34.4000113.1V21 I25V21-P23 WeakPolarHBondContact O-CD 3.23Å; P23-I25 VanDerWaalsContact C-N 3.28Å; P23-I25 PolarHBondContact O-N 3.01Å
24R90.5Very high78.8Confident98 Ų98101.4 Ų101.437%0.3752%0.515SS..Hα-helixtrans-64.4-32.7170.2-59.3179.2-67164.6-1.5111.9D22 Q26 G27 E28 I233 E236D22-R24 PolarHBondContact O-N 3.25Å; D22-R24 WeakPolarHBondContact OD1-CB 3.36Å; D22-R24 WeakPolarHBondContact OD1-CG 3.48Å; D22-R24 PolarHBondContact OD1-N 2.91Å; D22-R24 IonicContact OD1-NE 3.28Å; D22-R24 PolarHBondContact OD1-NE 3.5Å; D22-R24 VanDerWaalsContact OD1-NE 3.08Å; D22-R24 IonicContact OD2-CZ 2.72Å; D22-R24 VanDerWaalsContact OD2-CZ 3.22Å; D22-R24 IonicContact OD2-NE 2.7Å; D22-R24 PolarHBondContact OD2-NE 2.89Å; D22-R24 IonicContact OD2-NH2 3.03Å; D22-R24 PolarHBondContact OD2-NH2 3.23Å; R24-Q26 PolarHBondContact O-N 3.27Å; R24-G27 PolarHBondContact O-N 3.32Å; R24-E28 PolarHBondContact O-N 3.18Å; R24-E28 VanDerWaalsContact O-N 3.11Å; R24-I233 HydrophobicContact CB-CD1 3.74Å; R24-I233 HydrophobicContact CB-CG1 4.48Å; R24-E236 IonicContact CZ-OE2 3.48Å; R24-E236 IonicContact NH1-OE1 2.84Å; R24-E236 IonicContact NH1-OE2 2.73Å; R24-E236 PolarHBondContact NH1-OE2 3.35Å; R24-E236 IonicContact NH2-OE2 2.68Å; R24-E236 PolarHBondContact NH2-OE2 3.27Å
25I93.1Very high81.4Confident44 Ų4498.8 Ų98.823%0.22649%0.492CS..Hα-helixtrans-61.1-46.1-179.1-62.3172.8000110.5V21 D22 P23 G27 E28 L29 L230 I233 I237V21-I25 HydrophobicContact CG1-CD1 4.25Å; D22-I25 HydrophobicContact CB-CD1 3.95Å; D22-I25 HydrophobicContact CB-CG1 4.13Å; D22-I25 VanDerWaalsContact O-CB 3.29Å; D22-I25 WeakPolarHBondContact O-CB 3.49Å; D22-I25 WeakPolarHBondContact O-CG1 3.29Å; D22-I25 PolarHBondContact O-N 3.42Å; P23-I25 VanDerWaalsContact C-N 3.28Å; P23-I25 PolarHBondContact O-N 3.01Å; I25-G27 VanDerWaalsContact C-N 3.33Å; I25-G27 PolarHBondContact O-N 2.9Å; I25-E28 PolarHBondContact O-N 2.8Å; I25-L29 HydrophobicContact CG2-CD1 3.86Å; I25-L29 HydrophobicContact CG2-CG 4.3Å; I25-L29 WeakPolarHBondContact O-CG 3.17Å; I25-L29 PolarHBondContact O-N 3.06Å; I25-L230 HydrophobicContact CG2-CD2 3.97Å; I25-I233 HydrophobicContact CD1-CG2 4.2Å; I25-I233 HydrophobicContact CG1-CG2 3.68Å; I25-I237 HydrophobicContact CD1-CD1 4.04Å
26Q93.8Very high84.1Confident125 Ų12594.2 Ų94.258%0.58447%0.469SS*.Hα-helixtrans-59.5-44.6177.3179.9174.3-21.300111.3R24 E28 L29 E30R24-Q26 PolarHBondContact O-N 3.27Å; Q26-E28 VanDerWaalsContact C-N 3.32Å; Q26-E28 PolarHBondContact O-N 3.19Å; Q26-L29 PolarHBondContact O-N 2.91Å; Q26-E30 HydrophobicContact CG-CG 4.38Å; Q26-E30 WeakPolarHBondContact CG-OE1 3.48Å; Q26-E30 PolarHBondContact NE2-OE1 2.92Å; Q26-E30 WeakPolarHBondContact O-CG 3.42Å; Q26-E30 PolarHBondContact O-N 3.13Å
27G93.2Very high86.7Confident27 Ų2789.5 Ų89.528%0.27846%0.458SS..Hα-helixtrans-62.9-32.6179.100000114.3R24 I25 K31R24-G27 PolarHBondContact O-N 3.32Å; I25-G27 VanDerWaalsContact C-N 3.33Å; I25-G27 PolarHBondContact O-N 2.9Å; G27-K31 WeakPolarHBondContact O-CD 3.47Å; G27-K31 VanDerWaalsContact O-CG 3.24Å; G27-K31 WeakPolarHBondContact O-CG 3.29Å; G27-K31 PolarHBondContact O-N 3.06Å
28E96.3Very high89Confident23 Ų2384 Ų8411%0.10743%0.433CS..Hα-helixtrans-80.7-32.1173.7-60.3-54130.600112.9R24 I25 Q26 K31 L32 N229 L230 I233R24-E28 PolarHBondContact O-N 3.18Å; R24-E28 VanDerWaalsContact O-N 3.11Å; I25-E28 PolarHBondContact O-N 2.8Å; Q26-E28 VanDerWaalsContact C-N 3.32Å; Q26-E28 PolarHBondContact O-N 3.19Å; E28-K31 PolarHBondContact O-N 2.55Å; E28-K31 IonicContact OE1-NZ 3.73Å; E28-K31 PolarHBondContact OE1-NZ 3.43Å; E28-K31 IonicContact OE2-NZ 3.25Å; E28-L32 WeakPolarHBondContact O-CB 3.35Å; E28-L32 PolarHBondContact O-N 3.44Å; E28-N229 HydrophobicContact CG-CB 3.78Å; E28-N229 WeakPolarHBondContact OE2-CB 3.42Å; E28-N229 PolarHBondContact OE2-ND2 2.93Å; E28-L230 HydrophobicContact CB-CD1 4.34Å; E28-L230 HydrophobicContact CB-CD2 3.74Å; E28-L230 HydrophobicContact CB-CG 3.72Å; E28-I233 HydrophobicContact CG-CD1 4.01Å
29L96.3Very high91.2Very high81 Ų8177 Ų7742%0.42440%0.395SS..Hα-helixtrans-66.3-40.3172.3-71.9173.4000112.1I25 Q26 K31 L32 N33 L230I25-L29 HydrophobicContact CG2-CD1 3.86Å; I25-L29 HydrophobicContact CG2-CG 4.3Å; I25-L29 WeakPolarHBondContact O-CG 3.17Å; I25-L29 PolarHBondContact O-N 3.06Å; Q26-L29 PolarHBondContact O-N 2.91Å; L29-K31 VanDerWaalsContact C-N 3.35Å; L29-L32 PolarHBondContact O-N 3.41Å; L29-N33 PolarHBondContact O-N 3.37Å; L29-N33 PolarHBondContact O-ND2 3.08Å; L29-L230 HydrophobicContact CD2-CD1 3.93Å; L29-L230 HydrophobicContact CD2-CD2 4.41Å; L29-L230 HydrophobicContact CG-CD1 4.48Å; L29-L230 HydrophobicContact CG-CD2 4.24Å
30E96.6Very high92.8Very high112 Ų11275.9 Ų75.952%0.52339%0.393SS..Hα-helixtrans-61.2-42.7173.2-74.5175.5-168.600111.4Q26 L32 N33 Q34Q26-E30 HydrophobicContact CG-CG 4.38Å; Q26-E30 WeakPolarHBondContact CG-OE1 3.48Å; Q26-E30 PolarHBondContact NE2-OE1 2.92Å; Q26-E30 WeakPolarHBondContact O-CG 3.42Å; Q26-E30 PolarHBondContact O-N 3.13Å; E30-L32 PolarHBondContact O-N 3.43Å; E30-N33 PolarHBondContact O-N 2.98Å; E30-Q34 WeakPolarHBondContact O-CB 3.32Å; E30-Q34 PolarHBondContact O-N 2.94Å
31K96.9Very high94.1Very high107 Ų10772.3 Ų72.347%0.46537%0.371SS..Hα-helixtrans-62.7-39.2172.7-70.4166-165.9172.60112.6G27 E28 L29 S35 A226G27-K31 WeakPolarHBondContact O-CD 3.47Å; G27-K31 VanDerWaalsContact O-CG 3.24Å; G27-K31 WeakPolarHBondContact O-CG 3.29Å; G27-K31 PolarHBondContact O-N 3.06Å; E28-K31 PolarHBondContact O-N 2.55Å; E28-K31 IonicContact OE1-NZ 3.73Å; E28-K31 PolarHBondContact OE1-NZ 3.43Å; E28-K31 IonicContact OE2-NZ 3.25Å; L29-K31 VanDerWaalsContact C-N 3.35Å; K31-S35 VanDerWaalsContact O-CB 3.24Å; K31-S35 WeakPolarHBondContact O-CB 3.34Å; K31-S35 PolarHBondContact O-N 3.22Å; K31-S35 PolarHBondContact O-OG 2.87Å; K31-A226 HydrophobicContact CB-CB 4.26Å
32L97.9Very high95.3Very high24 Ų2467.3 Ų67.313%0.12634%0.342CS..Hα-helixtrans-65.7-44.8179.1-172.1156.8000111.1E28 L29 E30 S35 T36 Y223 A226 L227 L230E28-L32 WeakPolarHBondContact O-CB 3.35Å; E28-L32 PolarHBondContact O-N 3.44Å; L29-L32 PolarHBondContact O-N 3.41Å; E30-L32 PolarHBondContact O-N 3.43Å; L32-S35 PolarHBondContact O-N 3.11Å; L32-T36 PolarHBondContact O-N 3.35Å; L32-T36 PolarHBondContact O-OG1 3.28Å; L32-Y223 HydrophobicContact CD1-CE2 4.47Å; L32-Y223 HydrophobicContact CD2-CD2 4.44Å; L32-Y223 HydrophobicContact CD2-CE2 3.72Å; L32-Y223 HydrophobicContact CG-CD2 4.09Å; L32-Y223 HydrophobicContact CG-CE2 3.72Å; L32-A226 HydrophobicContact CB-CB 4.32Å; L32-L227 HydrophobicContact CD1-CD2 3.6Å; L32-L227 HydrophobicContact CD1-CG 4Å; L32-L230 HydrophobicContact CD1-CD1 3.9Å
33N97.3Very high96.1Very high102 Ų10269.8 Ų69.855%0.54535%0.352SS..Hα-helixtrans-60.9-51.8174.5-71.2-29.2000111.2L29 E30 S35 T36 D37L29-N33 PolarHBondContact O-N 3.37Å; L29-N33 PolarHBondContact O-ND2 3.08Å; E30-N33 PolarHBondContact O-N 2.98Å; N33-S35 VanDerWaalsContact C-N 3.31Å; N33-S35 PolarHBondContact O-N 3.38Å; N33-T36 WeakPolarHBondContact O-CB 3.45Å; N33-T36 PolarHBondContact O-N 3.19Å; N33-D37 PolarHBondContact O-N 3.02Å; N33-D37 VanDerWaalsContact O-N 3.13Å
34Q97.9Very high96.8Very high112 Ų11269.3 Ų69.352%0.52335%0.347SS..Hα-helixtrans-59-41.1177.2-175.262.575.500112.2E30 T36 D37 D38E30-Q34 WeakPolarHBondContact O-CB 3.32Å; E30-Q34 PolarHBondContact O-N 2.94Å; Q34-T36 VanDerWaalsContact C-N 3.27Å; Q34-T36 PolarHBondContact O-N 3.45Å; Q34-D37 PolarHBondContact O-N 3.15Å; Q34-D38 PolarHBondContact NE2-OD1 2.71Å; Q34-D38 WeakPolarHBondContact O-CB 3.41Å; Q34-D38 PolarHBondContact O-N 3.28Å
35S98.1Very high97.2Very high11 Ų1167.5 Ų67.58%0.07734%0.343CS..Hα-helixtrans-64.8-31.9176.9-580000112.1K31 L32 N33 D38 I39K31-S35 VanDerWaalsContact O-CB 3.24Å; K31-S35 WeakPolarHBondContact O-CB 3.34Å; K31-S35 PolarHBondContact O-N 3.22Å; K31-S35 PolarHBondContact O-OG 2.87Å; L32-S35 PolarHBondContact O-N 3.11Å; N33-S35 VanDerWaalsContact C-N 3.31Å; N33-S35 PolarHBondContact O-N 3.38Å; S35-D38 PolarHBondContact O-N 3.09Å; S35-I39 WeakPolarHBondContact O-CB 3.32Å; S35-I39 WeakPolarHBondContact O-CD1 3.41Å; S35-I39 WeakPolarHBondContact O-CG1 3.38Å; S35-I39 PolarHBondContact O-N 3.09Å
36T98.4Very high97.4Very high47 Ų4765.6 Ų65.629%0.28833%0.333SS..Hα-helixtrans-69.2-46.7177.9-59.80000111L32 N33 Q34 D38 I39 N40 Y223L32-T36 PolarHBondContact O-N 3.35Å; L32-T36 PolarHBondContact O-OG1 3.28Å; N33-T36 WeakPolarHBondContact O-CB 3.45Å; N33-T36 PolarHBondContact O-N 3.19Å; Q34-T36 VanDerWaalsContact C-N 3.27Å; Q34-T36 PolarHBondContact O-N 3.45Å; T36-D38 VanDerWaalsContact C-N 3.3Å; T36-D38 PolarHBondContact O-N 3.45Å; T36-I39 PolarHBondContact O-N 3.31Å; T36-N40 VanDerWaalsContact O-CG 3.27Å; T36-N40 PolarHBondContact O-N 2.68Å; T36-N40 PolarHBondContact O-ND2 2.72Å; T36-Y223 WeakPolarHBondContact OG1-CE2 3.38Å
37D98.3Very high97.7Very high99 Ų9963.1 Ų63.153%0.52932%0.322SS..Hα-helixtrans-64.1-36173.8-75.8-22.5000112.4N33 Q34 N40 R41N33-D37 PolarHBondContact O-N 3.02Å; N33-D37 VanDerWaalsContact O-N 3.13Å; Q34-D37 PolarHBondContact O-N 3.15Å; D37-N40 PolarHBondContact O-N 2.92Å; D37-R41 WeakPolarHBondContact O-CB 3.32Å; D37-R41 PolarHBondContact O-N 3.32Å
38D98.1Very high97.9Very high34 Ų3465.4 Ų65.418%0.18233%0.328CS..Hα-helixtrans-66.4-37.9174.9-85.740.6000112.7Q34 S35 T36 R41 C42 A219Q34-D38 PolarHBondContact NE2-OD1 2.71Å; Q34-D38 WeakPolarHBondContact O-CB 3.41Å; Q34-D38 PolarHBondContact O-N 3.28Å; S35-D38 PolarHBondContact O-N 3.09Å; T36-D38 VanDerWaalsContact C-N 3.3Å; T36-D38 PolarHBondContact O-N 3.45Å; D38-R41 IonicContact OD1-CZ 3.51Å; D38-R41 VanDerWaalsContact OD1-CZ 3.25Å; D38-R41 IonicContact OD1-NH1 2.89Å; D38-R41 PolarHBondContact OD1-NH1 3.19Å; D38-R41 IonicContact OD1-NH2 3.59Å; D38-R41 PolarHBondContact OD1-NH2 2.71Å; D38-R41 IonicContact OD2-CZ 2.56Å; D38-R41 IonicContact OD2-NH1 3.79Å; D38-R41 IonicContact OD2-NH2 2.6Å; D38-R41 PolarHBondContact OD2-NH2 3.21Å; D38-C42 WeakPolarHBondContact O-CB 3.17Å; D38-C42 PolarHBondContact O-N 3.24Å; D38-C42 PolarHBondContact O-SG 3.02Å; D38-A219 HydrophobicContact CB-CB 4.08Å
39I98.4Very high98Very high21 Ų2164.8 Ų64.811%0.10833%0.327CS..Hα-helixtrans-62.6-55.7170.9-71.4161.3000110.1S35 T36 R41 C42 E43 L216 A219 K220 Y223S35-I39 WeakPolarHBondContact O-CB 3.32Å; S35-I39 WeakPolarHBondContact O-CD1 3.41Å; S35-I39 WeakPolarHBondContact O-CG1 3.38Å; S35-I39 PolarHBondContact O-N 3.09Å; T36-I39 PolarHBondContact O-N 3.31Å; I39-R41 VanDerWaalsContact C-N 3.26Å; I39-R41 PolarHBondContact O-N 2.64Å; I39-C42 PolarHBondContact O-N 2.56Å; I39-C42 VanDerWaalsContact O-N 3.09Å; I39-E43 HydrophobicContact CG2-CG 4.32Å; I39-E43 WeakPolarHBondContact O-CG 3.47Å; I39-E43 PolarHBondContact O-N 3.49Å; I39-L216 HydrophobicContact CG2-CD1 4.2Å; I39-A219 HydrophobicContact CG1-CB 3.94Å; I39-K220 HydrophobicContact CD1-CG 3.75Å; I39-K220 HydrophobicContact CG1-CG 3.7Å; I39-K220 HydrophobicContact CG2-CG 4.41Å; I39-Y223 HydrophobicContact CD1-CD2 4.31Å; I39-Y223 HydrophobicContact CD1-CG 4.08Å
40N98.3Very high98.1Very high86 Ų8665 Ų6546%0.4632%0.322SS..Hα-helixtrans-55.3-42.8-177.5-68.9-30.3000111.8T36 D37 T44T36-N40 VanDerWaalsContact O-CG 3.27Å; T36-N40 PolarHBondContact O-N 2.68Å; T36-N40 PolarHBondContact O-ND2 2.72Å; D37-N40 PolarHBondContact O-N 2.92Å; N40-T44 PolarHBondContact O-N 3.28Å; N40-T44 PolarHBondContact O-OG1 3.44Å
41R98.3Very high98.2Very high112 Ų11265.3 Ų65.342%0.42332%0.323SS..Hα-helixtrans-65.3-49175.3-172.9173.870.5-1096.9112.1D37 D38 I39 E43 T44 E45D37-R41 WeakPolarHBondContact O-CB 3.32Å; D37-R41 PolarHBondContact O-N 3.32Å; D38-R41 IonicContact OD1-CZ 3.51Å; D38-R41 VanDerWaalsContact OD1-CZ 3.25Å; D38-R41 IonicContact OD1-NH1 2.89Å; D38-R41 PolarHBondContact OD1-NH1 3.19Å; D38-R41 IonicContact OD1-NH2 3.59Å; D38-R41 PolarHBondContact OD1-NH2 2.71Å; D38-R41 IonicContact OD2-CZ 2.56Å; D38-R41 IonicContact OD2-NH1 3.79Å; D38-R41 IonicContact OD2-NH2 2.6Å; D38-R41 PolarHBondContact OD2-NH2 3.21Å; I39-R41 VanDerWaalsContact C-N 3.26Å; I39-R41 PolarHBondContact O-N 2.64Å; R41-E43 PolarHBondContact O-N 3Å; R41-T44 PolarHBondContact O-N 3.1Å; R41-E45 WeakPolarHBondContact O-CG 3.2Å; R41-E45 PolarHBondContact O-N 3.2Å
42C98.2Very high98.3Very high8 Ų865 Ų655%0.05432%0.322CS..Hα-helixtrans-65.3-35.5-179.1-72.40000112.9D38 I39 L46 L216D38-C42 WeakPolarHBondContact O-CB 3.17Å; D38-C42 PolarHBondContact O-N 3.24Å; D38-C42 PolarHBondContact O-SG 3.02Å; I39-C42 PolarHBondContact O-N 2.56Å; I39-C42 VanDerWaalsContact O-N 3.09Å; C42-L46 WeakPolarHBondContact O-CB 3.4Å; C42-L46 PolarHBondContact O-N 3.11Å; C42-L216 HydrophobicContact CB-CB 4.05Å; C42-L216 HydrophobicContact CB-CD1 3.97Å
43E98.4Very high98.4Very high81 Ų8166.4 Ų66.438%0.37933%0.327SS..Hα-helixtrans-65.2-45.5174.8-67.8-162.2155.500111.8I39 R41 L46 E47 L216 K220I39-E43 HydrophobicContact CG2-CG 4.32Å; I39-E43 WeakPolarHBondContact O-CG 3.47Å; I39-E43 PolarHBondContact O-N 3.49Å; R41-E43 PolarHBondContact O-N 3Å; E43-L46 PolarHBondContact O-N 3.28Å; E43-E47 PolarHBondContact O-N 2.89Å; E43-L216 HydrophobicContact CG-CD1 3.41Å; E43-L216 VanDerWaalsContact CG-CD1 3.41Å; E43-L216 HydrophobicContact CG-CD2 3.74Å; E43-L216 HydrophobicContact CG-CG 4.23Å; E43-K220 VanDerWaalsContact OE1-CE 3.31Å; E43-K220 WeakPolarHBondContact OE1-CE 3.26Å; E43-K220 IonicContact OE1-NZ 2.98Å; E43-K220 PolarHBondContact OE1-NZ 3.08Å
44T98.6Very high98.4Very high101 Ų10167 Ų6762%0.6232%0.322SS*.Hα-helixtrans-59-52.6175.8-54.60000111.1N40 R41 L46 E47 D48N40-T44 PolarHBondContact O-N 3.28Å; N40-T44 PolarHBondContact O-OG1 3.44Å; R41-T44 PolarHBondContact O-N 3.1Å; T44-L46 VanDerWaalsContact C-N 3.3Å; T44-L46 PolarHBondContact O-N 3.32Å; T44-E47 PolarHBondContact O-N 3.33Å; T44-D48 VanDerWaalsContact O-CB 3.23Å; T44-D48 WeakPolarHBondContact O-CB 3.45Å; T44-D48 PolarHBondContact O-N 2.97Å
45E98.3Very high98.5Very high61 Ų6165.4 Ų65.429%0.28532%0.323SS..Hα-helixtrans-63-33.1179.3-70.7-175112.600113.4R41 A49 R212R41-E45 WeakPolarHBondContact O-CG 3.2Å; R41-E45 PolarHBondContact O-N 3.2Å; E45-A49 WeakPolarHBondContact O-CB 3.48Å; E45-A49 PolarHBondContact O-N 3.05Å; E45-R212 VanDerWaalsContact CD-CZ 3.42Å; E45-R212 IonicContact OE1-CZ 3.16Å; E45-R212 IonicContact OE1-NH1 3.48Å; E45-R212 PolarHBondContact OE1-NH1 3.05Å; E45-R212 IonicContact OE1-NH2 2.59Å; E45-R212 PolarHBondContact OE1-NH2 2.8Å; E45-R212 IonicContact OE2-CZ 3.86Å; E45-R212 IonicContact OE2-NH1 2.69Å; E45-R212 PolarHBondContact OE2-NH1 3Å
46L98.6Very high98.5Very high4 Ų465.6 Ų65.62%0.02132%0.323CS..Hα-helixtrans-69.9-46.4178.917360000111.8C42 E43 T44 D48 A49 R50 V209 R212 Q213 L216C42-L46 WeakPolarHBondContact O-CB 3.4Å; C42-L46 PolarHBondContact O-N 3.11Å; E43-L46 PolarHBondContact O-N 3.28Å; T44-L46 VanDerWaalsContact C-N 3.3Å; T44-L46 PolarHBondContact O-N 3.32Å; L46-D48 VanDerWaalsContact C-N 3.32Å; L46-A49 PolarHBondContact O-N 2.84Å; L46-R50 HydrophobicContact CD1-CG 4.32Å; L46-R50 VanDerWaalsContact O-CG 3.26Å; L46-R50 WeakPolarHBondContact O-CG 3.45Å; L46-R50 PolarHBondContact O-N 2.99Å; L46-V209 HydrophobicContact CD1-CG1 4.05Å; L46-V209 WeakPolarHBondContact CD1-O 3.38Å; L46-R212 HydrophobicContact CB-CB 4.08Å; L46-R212 HydrophobicContact CD1-CB 3.9Å; L46-Q213 HydrophobicContact CD1-CB 4.1Å; L46-Q213 HydrophobicContact CD2-CB 4.47Å; L46-L216 HydrophobicContact CD2-CD2 3.53Å
47E98.6Very high98.5Very high72 Ų7267 Ų6734%0.33633%0.328SS..Hα-helixtrans-70.9-32.9178.8-164.952.1-139.600111.6E43 T44 R50 Q51 R54E43-E47 PolarHBondContact O-N 2.89Å; T44-E47 PolarHBondContact O-N 3.33Å; E47-R50 PolarHBondContact O-N 2.97Å; E47-R50 WeakPolarHBondContact OE2-CD 3.45Å; E47-R50 IonicContact OE2-CZ 2.97Å; E47-R50 IonicContact OE2-NE 3.14Å; E47-R50 IonicContact OE2-NH1 2.69Å; E47-R50 PolarHBondContact OE2-NH1 3.33Å; E47-Q51 WeakPolarHBondContact O-CB 3.33Å; E47-Q51 PolarHBondContact O-N 3.15Å; E47-R54 IonicContact OE1-CZ 2.72Å; E47-R54 IonicContact OE1-NH1 2.64Å; E47-R54 PolarHBondContact OE1-NH1 3.1Å; E47-R54 IonicContact OE1-NH2 2.66Å; E47-R54 PolarHBondContact OE1-NH2 3.15Å
48D98.5Very high98.5Very high76 Ų7666.9 Ų66.941%0.40633%0.331SS..Hα-helixtrans-63-40.7171.7-158.833.8000111.7T44 L46 K52T44-D48 VanDerWaalsContact O-CB 3.23Å; T44-D48 WeakPolarHBondContact O-CB 3.45Å; T44-D48 PolarHBondContact O-N 2.97Å; L46-D48 VanDerWaalsContact C-N 3.32Å; D48-K52 VanDerWaalsContact O-CD 3.25Å; D48-K52 WeakPolarHBondContact O-CD 3.23Å; D48-K52 VanDerWaalsContact O-CG 3.24Å; D48-K52 WeakPolarHBondContact O-CG 3.48Å; D48-K52 PolarHBondContact O-N 3.13Å; D48-K52 VanDerWaalsContact O-N 3.11Å; D48-K52 IonicContact OD1-NZ 2.71Å; D48-K52 WeakPolarHBondContact OD2-CE 3.32Å; D48-K52 IonicContact OD2-NZ 3.56Å; D48-K52 PolarHBondContact OD2-NZ 3.39Å
49A98.4Very high98.5Very high10 Ų1069.3 Ų69.38%0.08334%0.341CS..Hα-helixtrans-66.9-42172.100000112.7E45 L46 K52 F53 T208 V209E45-A49 WeakPolarHBondContact O-CB 3.48Å; E45-A49 PolarHBondContact O-N 3.05Å; L46-A49 PolarHBondContact O-N 2.84Å; A49-K52 PolarHBondContact O-N 3.45Å; A49-F53 PolarHBondContact O-N 3Å; A49-T208 HydrophobicContact CB-CG2 4.47Å; A49-V209 HydrophobicContact CB-CG2 3.79Å
50R98.6Very high98.5Very high86 Ų8668.5 Ų68.533%0.32534%0.338SS..Hα-helixtrans-63.5-40.9175.5-71.7163.5172-179.41.5111.6L46 E47 F53 R54 V209L46-R50 HydrophobicContact CD1-CG 4.32Å; L46-R50 VanDerWaalsContact O-CG 3.26Å; L46-R50 WeakPolarHBondContact O-CG 3.45Å; L46-R50 PolarHBondContact O-N 2.99Å; E47-R50 PolarHBondContact O-N 2.97Å; E47-R50 WeakPolarHBondContact OE2-CD 3.45Å; E47-R50 IonicContact OE2-CZ 2.97Å; E47-R50 IonicContact OE2-NE 3.14Å; E47-R50 IonicContact OE2-NH1 2.69Å; E47-R50 PolarHBondContact OE2-NH1 3.33Å; R50-F53 PolarHBondContact O-N 3.16Å; R50-R54 WeakPolarHBondContact O-CG 3.08Å; R50-R54 PolarHBondContact O-N 3.08Å; R50-V209 HydrophobicContact CG-CG1 3.81Å; R50-V209 HydrophobicContact CG-CG2 4.09Å
51Q98.8Very high98.5Very high118 Ų11868 Ų6855%0.55134%0.338SS*.Hα-helixtrans-62-43.6175178.3157.3-50.800111.7E47 R54 S55E47-Q51 WeakPolarHBondContact O-CB 3.33Å; E47-Q51 PolarHBondContact O-N 3.15Å; Q51-R54 PolarHBondContact O-N 2.79Å; Q51-S55 WeakPolarHBondContact O-CB 3.42Å; Q51-S55 PolarHBondContact O-N 3.11Å
52K98.6Very high98.5Very high100 Ų10066.2 Ų66.244%0.43534%0.34SS..Hα-helixtrans-61.6-43.5175.1-70.3159-165.5169.70111.6D48 A49 S55 V56 L205D48-K52 VanDerWaalsContact O-CD 3.25Å; D48-K52 WeakPolarHBondContact O-CD 3.23Å; D48-K52 VanDerWaalsContact O-CG 3.24Å; D48-K52 WeakPolarHBondContact O-CG 3.48Å; D48-K52 PolarHBondContact O-N 3.13Å; D48-K52 VanDerWaalsContact O-N 3.11Å; D48-K52 IonicContact OD1-NZ 2.71Å; D48-K52 WeakPolarHBondContact OD2-CE 3.32Å; D48-K52 IonicContact OD2-NZ 3.56Å; D48-K52 PolarHBondContact OD2-NZ 3.39Å; A49-K52 PolarHBondContact O-N 3.45Å; K52-S55 PolarHBondContact O-N 2.89Å; K52-V56 WeakPolarHBondContact O-CG2 3.48Å; K52-V56 PolarHBondContact O-N 2.87Å; K52-V56 VanDerWaalsContact O-N 3.11Å; K52-L205 HydrophobicContact CB-CD2 4.39Å
53F98.7Very high98.5Very high54 Ų5469.6 Ų69.624%0.23735%0.353CS..Hα-helixtrans-60-49.2172.9179.6-89.2000112.4A49 R50 S55 V56 L57 L202 L205 K206A49-F53 PolarHBondContact O-N 3Å; R50-F53 PolarHBondContact O-N 3.16Å; F53-S55 VanDerWaalsContact C-N 3.34Å; F53-S55 PolarHBondContact O-N 2.69Å; F53-V56 PolarHBondContact O-N 2.92Å; F53-L57 HydrophobicContact CE1-CD2 4.1Å; F53-L57 WeakPolarHBondContact O-CB 3.25Å; F53-L57 PolarHBondContact O-N 3.1Å; F53-L202 HydrophobicContact CD2-CD2 3.87Å; F53-L202 HydrophobicContact CE2-CB 4.07Å; F53-L202 HydrophobicContact CE2-CD2 3.76Å; F53-L202 WeakPolarHBondContact CE2-O 3.37Å; F53-L202 HydrophobicContact CG-CD2 4.42Å; F53-L202 HydrophobicContact CZ-CD2 4.24Å; F53-L205 HydrophobicContact CB-CB 4.32Å; F53-L205 HydrophobicContact CD2-CB 3.94Å; F53-K206 HydrophobicContact CD2-CB 4.37Å; F53-K206 HydrophobicContact CE2-CB 3.99Å
54R98.8Very high98.5Very high115 Ų11566.7 Ų66.743%0.43434%0.34SS..Hα-helixtrans-58.5-43.6177.7-71.7-173.6-58.9-107.73.2112.1E47 R50 Q51 L57 V58E47-R54 IonicContact OE1-CZ 2.72Å; E47-R54 IonicContact OE1-NH1 2.64Å; E47-R54 PolarHBondContact OE1-NH1 3.1Å; E47-R54 IonicContact OE1-NH2 2.66Å; E47-R54 PolarHBondContact OE1-NH2 3.15Å; R50-R54 WeakPolarHBondContact O-CG 3.08Å; R50-R54 PolarHBondContact O-N 3.08Å; Q51-R54 PolarHBondContact O-N 2.79Å; R54-L57 PolarHBondContact O-N 3.35Å; R54-V58 WeakPolarHBondContact O-CG2 3.24Å; R54-V58 PolarHBondContact O-N 3.5Å; R54-V58 VanDerWaalsContact O-N 3.13Å
55S98.6Very high98.5Very high78 Ų7865.1 Ų65.155%0.54533%0.328SS..Hα-helixtrans-61.7-51.1179.4-171.30000112Q51 K52 F53 L57 V58 E59Q51-S55 WeakPolarHBondContact O-CB 3.42Å; Q51-S55 PolarHBondContact O-N 3.11Å; K52-S55 PolarHBondContact O-N 2.89Å; F53-S55 VanDerWaalsContact C-N 3.34Å; F53-S55 PolarHBondContact O-N 2.69Å; S55-L57 VanDerWaalsContact C-N 3.29Å; S55-L57 PolarHBondContact O-N 3.25Å; S55-V58 PolarHBondContact O-N 3.29Å; S55-E59 PolarHBondContact O-N 3.25Å
56V98.6Very high98.5Very high15 Ų1565 Ų659%0.09133%0.327CS..Hα-helixtrans-64.3-33.7178.4174.70000111.7K52 F53 E59 A60 Y198 Q201 L202 L205K52-V56 WeakPolarHBondContact O-CG2 3.48Å; K52-V56 PolarHBondContact O-N 2.87Å; K52-V56 VanDerWaalsContact O-N 3.11Å; F53-V56 PolarHBondContact O-N 2.92Å; V56-E59 PolarHBondContact O-N 3.17Å; V56-A60 WeakPolarHBondContact O-CB 3.34Å; V56-A60 PolarHBondContact O-N 3.13Å; V56-Y198 HydrophobicContact CG1-CD1 4.23Å; V56-Q201 HydrophobicContact CG1-CG 4.05Å; V56-L202 HydrophobicContact CB-CD2 4.11Å; V56-L202 HydrophobicContact CG1-CD2 3.86Å; V56-L202 HydrophobicContact CG1-CG 4.08Å; V56-L205 HydrophobicContact CB-CD1 4.05Å; V56-L205 HydrophobicContact CG1-CD1 4.34Å; V56-L205 HydrophobicContact CG2-CD1 3.82Å
57L98.4Very high98.4Very high75 Ų7566.1 Ų66.139%0.39333%0.333SS..Hα-helixtrans-65.9-39.2176.9-178.361.9000112.1F53 R54 S55 T61 L202F53-L57 HydrophobicContact CE1-CD2 4.1Å; F53-L57 WeakPolarHBondContact O-CB 3.25Å; F53-L57 PolarHBondContact O-N 3.1Å; R54-L57 PolarHBondContact O-N 3.35Å; S55-L57 VanDerWaalsContact C-N 3.29Å; S55-L57 PolarHBondContact O-N 3.25Å; L57-T61 WeakPolarHBondContact O-CB 3.15Å; L57-T61 PolarHBondContact O-N 3.45Å; L57-T61 VanDerWaalsContact O-N 3.08Å; L57-T61 PolarHBondContact O-OG1 3.09Å; L57-L202 HydrophobicContact CB-CD2 3.94Å; L57-L202 HydrophobicContact CD1-CD1 3.86Å; L57-L202 HydrophobicContact CD1-CD2 4.5Å
58V98.7Very high98.3Very high97 Ų9765.1 Ų65.159%0.58833%0.332SS*.Hα-helixtrans-68.1-47.2173.9173.40000110.7R54 S55 A60 T61 V62R54-V58 WeakPolarHBondContact O-CG2 3.24Å; R54-V58 PolarHBondContact O-N 3.5Å; R54-V58 VanDerWaalsContact O-N 3.13Å; S55-V58 PolarHBondContact O-N 3.29Å; V58-A60 PolarHBondContact O-N 2.97Å; V58-T61 PolarHBondContact O-N 2.96Å; V58-V62 WeakPolarHBondContact O-CG2 3.35Å; V58-V62 PolarHBondContact O-N 3.41Å
59E98.3Very high98.3Very high85 Ų8568.8 Ų68.840%0.39734%0.344SS..Hα-helixtrans-55.4-51.4176.7-169.9-15514000111.5S55 V56 T61 V62 K63 Y198S55-E59 PolarHBondContact O-N 3.25Å; V56-E59 PolarHBondContact O-N 3.17Å; E59-T61 VanDerWaalsContact C-N 3.31Å; E59-T61 PolarHBondContact O-N 3.09Å; E59-V62 PolarHBondContact O-N 3.49Å; E59-K63 HydrophobicContact CG-CG 4.5Å; E59-K63 WeakPolarHBondContact O-CB 3.36Å; E59-K63 WeakPolarHBondContact O-CG 3.19Å; E59-K63 PolarHBondContact O-N 3.48Å; E59-Y198 HydrophobicContact CG-CE1 4.43Å; E59-Y198 WeakPolarHBondContact OE1-CE1 3.35Å; E59-Y198 PolarHBondContact OE1-OH 3.09Å
60A98.4Very high98.2Very high4 Ų474.9 Ų74.93%0.03337%0.369CS..Hα-helixtrans-57.1-43.9177.200000111.9V56 V58 K63 L64 Y198 L202V56-A60 WeakPolarHBondContact O-CB 3.34Å; V56-A60 PolarHBondContact O-N 3.13Å; V58-A60 PolarHBondContact O-N 2.97Å; A60-K63 PolarHBondContact O-N 3.19Å; A60-L64 VanDerWaalsContact O-CB 3.26Å; A60-L64 WeakPolarHBondContact O-CB 3.26Å; A60-L64 WeakPolarHBondContact O-CG 3.36Å; A60-L64 PolarHBondContact O-N 3.34Å; A60-Y198 HydrophobicContact CB-CD1 3.6Å; A60-Y198 HydrophobicContact CB-CD2 3.91Å; A60-Y198 HydrophobicContact CB-CE1 4.2Å; A60-Y198 HydrophobicContact CB-CE2 4.47Å; A60-Y198 HydrophobicContact CB-CG 3.44Å; A60-Y198 VanDerWaalsContact CB-CG 3.44Å; A60-L202 HydrophobicContact CB-CD1 4.44Å
61T98.4Very high98.1Very high76 Ų7672.8 Ų72.847%0.46636%0.364SS..Hα-helixtrans-62.2-46.2179.3-59.90000111.3L57 V58 E59 D65L57-T61 WeakPolarHBondContact O-CB 3.15Å; L57-T61 PolarHBondContact O-N 3.45Å; L57-T61 VanDerWaalsContact O-N 3.08Å; L57-T61 PolarHBondContact O-OG1 3.09Å; V58-T61 PolarHBondContact O-N 2.96Å; E59-T61 VanDerWaalsContact C-N 3.31Å; E59-T61 PolarHBondContact O-N 3.09Å; T61-D65 WeakPolarHBondContact O-CB 3.47Å; T61-D65 PolarHBondContact O-N 3.22Å
62V98.6Very high98Very high75 Ų7568.7 Ų68.746%0.45535%0.353SS..Hα-helixtrans-64.9-46.7178.2174.40000111.2V58 E59 L64 D65 E66V58-V62 WeakPolarHBondContact O-CG2 3.35Å; V58-V62 PolarHBondContact O-N 3.41Å; E59-V62 PolarHBondContact O-N 3.49Å; V62-L64 VanDerWaalsContact C-N 3.34Å; V62-L64 PolarHBondContact O-N 3.45Å; V62-D65 PolarHBondContact O-N 3.31Å; V62-E66 PolarHBondContact O-N 2.87Å
63K98.3Very high97.9Very high79 Ų7971.8 Ų71.834%0.34337%0.367SS..Hα-helixtrans-67.6-33-178-68.5-70.8165.3-152.90113.1E59 A60 E66 L67 M194 Y198E59-K63 HydrophobicContact CG-CG 4.5Å; E59-K63 WeakPolarHBondContact O-CB 3.36Å; E59-K63 WeakPolarHBondContact O-CG 3.19Å; E59-K63 PolarHBondContact O-N 3.48Å; A60-K63 PolarHBondContact O-N 3.19Å; K63-E66 WeakPolarHBondContact CD-OE1 3.37Å; K63-E66 WeakPolarHBondContact CE-OE1 3.47Å; K63-E66 IonicContact NZ-OE1 2.7Å; K63-E66 PolarHBondContact NZ-OE1 2.84Å; K63-L67 PolarHBondContact O-N 3.34Å; K63-M194 HydrophobicContact CB-SD 3.94Å; K63-Y198 HydrophobicContact CB-CE2 4.02Å
64L97.9Very high97.9Very high19 Ų1970.2 Ų70.210%0.09936%0.362CS..Hα-helixtrans-74.6-37.5174.1-68.9176.3000112.4A60 V62 L67 V68 Y191 M194 K195A60-L64 VanDerWaalsContact O-CB 3.26Å; A60-L64 WeakPolarHBondContact O-CB 3.26Å; A60-L64 WeakPolarHBondContact O-CG 3.36Å; A60-L64 PolarHBondContact O-N 3.34Å; V62-L64 VanDerWaalsContact C-N 3.34Å; V62-L64 PolarHBondContact O-N 3.45Å; L64-L67 PolarHBondContact O-N 3.34Å; L64-V68 WeakPolarHBondContact O-CG2 3.11Å; L64-V68 PolarHBondContact O-N 2.9Å; L64-Y191 HydrophobicContact CB-CD2 4.47Å; L64-Y191 HydrophobicContact CB-CE2 3.9Å; L64-Y191 HydrophobicContact CD2-CD2 3.91Å; L64-Y191 HydrophobicContact CD2-CE2 3.87Å; L64-Y191 HydrophobicContact CG-CE2 4.39Å; L64-M194 HydrophobicContact CD2-CB 4.29Å; L64-M194 HydrophobicContact CD2-CG 4.2Å; L64-K195 HydrophobicContact CD1-CB 4.13Å; L64-K195 HydrophobicContact CD1-CD 4.46Å; L64-K195 HydrophobicContact CD1-CG 3.96Å; L64-K195 HydrophobicContact CD2-CB 3.8Å
65D98.1Very high97.8Very high69 Ų6964.8 Ų64.837%0.36934%0.342SS..Hα-helixtrans-65.1-40.7172.8173.958.6000112.1T61 V62 L67 V68 K69T61-D65 WeakPolarHBondContact O-CB 3.47Å; T61-D65 PolarHBondContact O-N 3.22Å; V62-D65 PolarHBondContact O-N 3.31Å; D65-L67 VanDerWaalsContact C-N 3.29Å; D65-L67 PolarHBondContact O-N 2.95Å; D65-V68 PolarHBondContact O-N 3.31Å; D65-K69 WeakPolarHBondContact O-CB 3.39Å; D65-K69 WeakPolarHBondContact O-CG 3.31Å; D65-K69 PolarHBondContact O-N 3.34Å; D65-K69 VanDerWaalsContact OD1-CE 3.29Å; D65-K69 WeakPolarHBondContact OD1-CE 3.43Å; D65-K69 IonicContact OD1-NZ 3.59Å; D65-K69 VanDerWaalsContact OD2-CE 3.23Å; D65-K69 WeakPolarHBondContact OD2-CE 3.41Å; D65-K69 IonicContact OD2-NZ 2.63Å; D65-K69 PolarHBondContact OD2-NZ 2.79Å
66E98.1Very high97.7Very high57 Ų5766 Ų6627%0.26634%0.339SS..Hα-helixtrans-52.6-46.3168.6-80.9-172.7-128.200111.9V62 K63 K69 K70V62-E66 PolarHBondContact O-N 2.87Å; K63-E66 WeakPolarHBondContact CD-OE1 3.37Å; K63-E66 WeakPolarHBondContact CE-OE1 3.47Å; K63-E66 IonicContact NZ-OE1 2.7Å; K63-E66 PolarHBondContact NZ-OE1 2.84Å; E66-K69 PolarHBondContact O-N 3.42Å; E66-K70 WeakPolarHBondContact O-CB 3.39Å; E66-K70 VanDerWaalsContact O-CD 3.29Å; E66-K70 WeakPolarHBondContact O-CD 3.42Å; E66-K70 WeakPolarHBondContact O-CG 3.46Å; E66-K70 PolarHBondContact O-N 2.93Å; E66-K70 IonicContact OE2-NZ 2.68Å; E66-K70 PolarHBondContact OE2-NZ 3.04Å
67L96.8Very high97.7Very high28 Ų2869.9 Ų69.915%0.14736%0.356CS..Hα-helixtrans-71.6-35180-73.2-177000112.9K63 L64 D65 K69 K70 I71 Y191 M194K63-L67 PolarHBondContact O-N 3.34Å; L64-L67 PolarHBondContact O-N 3.34Å; D65-L67 VanDerWaalsContact C-N 3.29Å; D65-L67 PolarHBondContact O-N 2.95Å; L67-K69 VanDerWaalsContact C-N 3.34Å; L67-K70 HydrophobicContact CD2-CD 4.37Å; L67-K70 PolarHBondContact O-N 3.37Å; L67-I71 HydrophobicContact CB-CD1 4.44Å; L67-I71 WeakPolarHBondContact O-CB 3.45Å; L67-I71 WeakPolarHBondContact O-CG1 3.01Å; L67-I71 PolarHBondContact O-N 2.98Å; L67-Y191 HydrophobicContact CB-CD2 4.08Å; L67-M194 HydrophobicContact CD1-CB 3.95Å; L67-M194 HydrophobicContact CD1-CE 3.98Å; L67-M194 HydrophobicContact CD1-CG 4.3Å; L67-M194 HydrophobicContact CD1-SD 3.51Å; L67-M194 VanDerWaalsContact CD1-SD 3.51Å; L67-M194 HydrophobicContact CG-SD 4.32Å
68V97.9Very high97.6Very high52 Ų5266.3 Ų66.332%0.31534%0.337SS..Hα-helixtrans-62-43.3171.3170.50000110.5L64 D65 K70 G72 V75 Y191L64-V68 WeakPolarHBondContact O-CG2 3.11Å; L64-V68 PolarHBondContact O-N 2.9Å; D65-V68 PolarHBondContact O-N 3.31Å; V68-K70 PolarHBondContact O-N 3.39Å; V68-G72 WeakPolarHBondContact O-CA 3.2Å; V68-G72 PolarHBondContact O-N 3.49Å; V68-V75 HydrophobicContact CG2-CG1 4.26Å; V68-Y191 HydrophobicContact CG2-CD2 3.91Å; V68-Y191 HydrophobicContact CG2-CE2 3.51Å
69K97.8Very high97.6Very high152 Ų15264.9 Ų64.966%0.66132%0.323SS*.Hα-helixtrans-63.9-38.1175.3-72.6164.8175.6169.40112.7D65 E66 L67D65-K69 WeakPolarHBondContact O-CB 3.39Å; D65-K69 WeakPolarHBondContact O-CG 3.31Å; D65-K69 PolarHBondContact O-N 3.34Å; D65-K69 VanDerWaalsContact OD1-CE 3.29Å; D65-K69 WeakPolarHBondContact OD1-CE 3.43Å; D65-K69 IonicContact OD1-NZ 3.59Å; D65-K69 VanDerWaalsContact OD2-CE 3.23Å; D65-K69 WeakPolarHBondContact OD2-CE 3.41Å; D65-K69 IonicContact OD2-NZ 2.63Å; D65-K69 PolarHBondContact OD2-NZ 2.79Å; E66-K69 PolarHBondContact O-N 3.42Å; L67-K69 VanDerWaalsContact C-N 3.34Å
70K97.2Very high97.5Very high139 Ų13963.4 Ų63.460%0.60432%0.321SS*.Hα-helixtrans-75.5-32.6179.5-71160.6-175.2171.40113.8E66 L67 V68E66-K70 WeakPolarHBondContact O-CB 3.39Å; E66-K70 VanDerWaalsContact O-CD 3.29Å; E66-K70 WeakPolarHBondContact O-CD 3.42Å; E66-K70 WeakPolarHBondContact O-CG 3.46Å; E66-K70 PolarHBondContact O-N 2.93Å; E66-K70 IonicContact OE2-NZ 2.68Å; E66-K70 PolarHBondContact OE2-NZ 3.04Å; L67-K70 HydrophobicContact CD2-CD 4.37Å; L67-K70 PolarHBondContact O-N 3.37Å; V68-K70 PolarHBondContact O-N 3.39Å
71I96.4Very high97.5Very high41 Ų4163.4 Ų63.421%0.2132%0.32CS..Hα-helixtrans-101.5-38-174.5-61166.5000112.3L67 P74 V75L67-I71 HydrophobicContact CB-CD1 4.44Å; L67-I71 WeakPolarHBondContact O-CB 3.45Å; L67-I71 WeakPolarHBondContact O-CG1 3.01Å; L67-I71 PolarHBondContact O-N 2.98Å; I71-P74 HydrophobicContact CG2-CB 4.16Å; I71-P74 WeakPolarHBondContact O-CD 2.76Å; I71-V75 HydrophobicContact CB-CG2 3.87Å; I71-V75 HydrophobicContact CD1-CG2 4.35Å; I71-V75 HydrophobicContact CG2-CG2 3.72Å
72G96.1Very high97.5Very high32 Ų3262 Ų6233%0.3331%0.306SS..  trans70.7-146.1-178.500000114.5V68 P74 V75V68-G72 WeakPolarHBondContact O-CA 3.2Å; V68-G72 PolarHBondContact O-N 3.49Å; G72-P74 VanDerWaalsContact C-N 3.3Å; G72-P74 WeakPolarHBondContact O-CD 3.08Å; G72-V75 PolarHBondContact O-N 3.02Å
73K96.3Very high97.4Very high166 Ų16663.5 Ų63.572%0.72231%0.308SS*.THydrogen-bonded Turntrans-44.7-36.7-172.1-60.9-176.2178.3-1780116.3V75 E76 E77K73-V75 PolarHBondContact O-N 3.32Å; K73-V75 VanDerWaalsContact O-N 3.09Å; K73-E76 PolarHBondContact O-N 2.89Å; K73-E77 PolarHBondContact O-N 3.46Å; K73-E77 VanDerWaalsContact O-N 3.1Å
74P97.7Very high97.4Very high21 Ų2159.9 Ų59.914%0.13629%0.293CS..Hα-helixtrans-58-22.3177.9-28.637.4000115.9I71 G72 S78 T184 K187 S188I71-P74 HydrophobicContact CG2-CB 4.16Å; I71-P74 WeakPolarHBondContact O-CD 2.76Å; G72-P74 VanDerWaalsContact C-N 3.3Å; G72-P74 WeakPolarHBondContact O-CD 3.08Å; P74-S78 WeakPolarHBondContact O-CB 3.34Å; P74-S78 PolarHBondContact O-N 3.48Å; P74-S78 PolarHBondContact O-OG 2.83Å; P74-T184 HydrophobicContact CB-CG2 3.77Å; P74-T184 WeakPolarHBondContact O-CG2 3.47Å; P74-K187 HydrophobicContact CB-CB 4.07Å; P74-K187 HydrophobicContact CG-CB 4.43Å; P74-K187 HydrophobicContact CG-CD 4.23Å; P74-S188 WeakPolarHBondContact O-CB 3.18Å
75V97.4Very high97.4Very high1 Ų163.6 Ų63.61%0.00631%0.306CS..Hα-helixtrans-64.9-42.4173.2177.60000111.1V68 I71 G72 K73 S78 Y191 F192V68-V75 HydrophobicContact CG2-CG1 4.26Å; I71-V75 HydrophobicContact CB-CG2 3.87Å; I71-V75 HydrophobicContact CD1-CG2 4.35Å; I71-V75 HydrophobicContact CG2-CG2 3.72Å; G72-V75 PolarHBondContact O-N 3.02Å; K73-V75 PolarHBondContact O-N 3.32Å; K73-V75 VanDerWaalsContact O-N 3.09Å; V75-S78 PolarHBondContact O-OG 2.98Å; V75-Y191 HydrophobicContact CG1-CD1 3.48Å; V75-Y191 VanDerWaalsContact CG1-CD1 3.48Å; V75-Y191 HydrophobicContact CG1-CD2 4.2Å; V75-Y191 HydrophobicContact CG1-CE1 3.49Å; V75-Y191 VanDerWaalsContact CG1-CE1 3.49Å; V75-Y191 HydrophobicContact CG1-CE2 4.18Å; V75-Y191 HydrophobicContact CG1-CG 3.87Å; V75-Y191 HydrophobicContact CG2-CD1 4.48Å; V75-Y191 HydrophobicContact CG2-CG 4.18Å; V75-F192 HydrophobicContact CG1-CE2 4.29Å; V75-F192 HydrophobicContact CG1-CZ 4.48Å
76E96.9Very high97.3Very high103 Ų10366.4 Ų66.448%0.48131%0.311SS..Hα-helixtrans-75.7-49.4179.9-66-59.7120.400111.5K73 S78 K79K73-E76 PolarHBondContact O-N 2.89Å; E76-S78 PolarHBondContact O-N 3.46Å; E76-S78 VanDerWaalsContact O-N 3.09Å; E76-K79 WeakPolarHBondContact O-CB 3.3Å; E76-K79 PolarHBondContact O-N 2.6Å; E76-K79 VanDerWaalsContact O-N 3.1Å; E76-K79 WeakPolarHBondContact OE1-CE 3.26Å; E76-K79 IonicContact OE1-NZ 2.72Å; E76-K79 PolarHBondContact OE1-NZ 3.36Å; E76-K79 WeakPolarHBondContact OE2-CE 3.41Å; E76-K79 IonicContact OE2-NZ 2.74Å; E76-K79 PolarHBondContact OE2-NZ 3.09Å
77E97.6Very high97.2Very high97 Ų9767.9 Ų67.945%0.45332%0.32SS..Hα-helixtrans-58.5-25.7-178.6-69.3169.5-16500113.6K73 T184K73-E77 PolarHBondContact O-N 3.46Å; K73-E77 VanDerWaalsContact O-N 3.1Å; E77-T184 HydrophobicContact CB-CG2 3.51Å; E77-T184 WeakPolarHBondContact OE2-CG2 3.19Å
78S97.8Very high97.2Very high0 Ų066.6 Ų66.60%031%0.314CS..THydrogen-bonded Turntrans-92-10.8-179.659.30000114.8P74 V75 E76 P80 Y81 W82 S188 F192P74-S78 WeakPolarHBondContact O-CB 3.34Å; P74-S78 PolarHBondContact O-N 3.48Å; P74-S78 PolarHBondContact O-OG 2.83Å; V75-S78 PolarHBondContact O-OG 2.98Å; E76-S78 PolarHBondContact O-N 3.46Å; E76-S78 VanDerWaalsContact O-N 3.09Å; S78-P80 VanDerWaalsContact C-CD 3.43Å; S78-P80 VanDerWaalsContact C-N 3.34Å; S78-Y81 WeakPolarHBondContact O-CB 3.43Å; S78-Y81 PolarHBondContact O-N 2.93Å; S78-W82 VanDerWaalsContact O-CD1 3.29Å; S78-W82 PolarHBondContact O-N 3.47Å; S78-S188 WeakPolarHBondContact OG-CB 3.44Å; S78-S188 PolarHBondContact OG-OG 3.12Å; S78-S188 VanDerWaalsContact OG-OG 3.08Å; S78-F192 WeakPolarHBondContact OG-CE2 3.44Å
79K96.9Very high97.2Very high67 Ų6770.2 Ų70.229%0.29132%0.322SS..Hα-helixtrans-47.8-46.2179.7-76178.4177.1170.80113.7E76 Y81 W82 E83 F192E76-K79 WeakPolarHBondContact O-CB 3.3Å; E76-K79 PolarHBondContact O-N 2.6Å; E76-K79 VanDerWaalsContact O-N 3.1Å; E76-K79 WeakPolarHBondContact OE1-CE 3.26Å; E76-K79 IonicContact OE1-NZ 2.72Å; E76-K79 PolarHBondContact OE1-NZ 3.36Å; E76-K79 WeakPolarHBondContact OE2-CE 3.41Å; E76-K79 IonicContact OE2-NZ 2.74Å; E76-K79 PolarHBondContact OE2-NZ 3.09Å; K79-Y81 VanDerWaalsContact C-N 3.25Å; K79-Y81 PolarHBondContact O-N 3.34Å; K79-W82 PolarHBondContact O-N 3.2Å; K79-W82 VanDerWaalsContact O-N 3.1Å; K79-E83 WeakPolarHBondContact O-CG 3.25Å; K79-E83 PolarHBondContact O-N 2.87Å; K79-F192 HydrophobicContact CG-CZ 4.06Å
80P97.9Very high97.2Very high54 Ų5466.3 Ų66.335%0.35131%0.306SS..Hα-helixtrans-61.1-31.1-178.5-24.735.8000113.9S78 A84 L177S78-P80 VanDerWaalsContact C-CD 3.43Å; S78-P80 VanDerWaalsContact C-N 3.34Å; P80-A84 VanDerWaalsContact O-CB 3.26Å; P80-A84 WeakPolarHBondContact O-CB 3.36Å; P80-A84 PolarHBondContact O-N 3.1Å; P80-L177 HydrophobicContact CB-CD1 4.4Å; P80-L177 HydrophobicContact CB-CD2 4.45Å; P80-L177 WeakPolarHBondContact O-CD1 3.39Å
81Y98.3Very high97.2Very high4 Ų460.1 Ų60.12%0.01628%0.281CS..Hα-helixtrans-69.5-47.7174.6169-101.1000111.4S78 K79 E83 A84 R85 M174 L177 E178 I185S78-Y81 WeakPolarHBondContact O-CB 3.43Å; S78-Y81 PolarHBondContact O-N 2.93Å; K79-Y81 VanDerWaalsContact C-N 3.25Å; K79-Y81 PolarHBondContact O-N 3.34Å; Y81-E83 VanDerWaalsContact C-N 3.33Å; Y81-E83 PolarHBondContact O-N 3.03Å; Y81-A84 PolarHBondContact O-N 2.87Å; Y81-R85 WeakPolarHBondContact O-CB 3.4Å; Y81-R85 PolarHBondContact O-N 2.92Å; Y81-R85 PolarHBondContact OH-NH1 3.16Å; Y81-M174 HydrophobicContact CD2-CG 4.21Å; Y81-M174 HydrophobicContact CE2-CG 3.78Å; Y81-L177 HydrophobicContact CD2-CB 4.23Å; Y81-E178 HydrophobicContact CD2-CB 4.06Å; Y81-E178 HydrophobicContact CD2-CG 4.44Å; Y81-E178 HydrophobicContact CE2-CB 3.58Å; Y81-E178 HydrophobicContact CE2-CG 3.67Å; Y81-E178 VanDerWaalsContact CE2-OE2 3.25Å; Y81-E178 WeakPolarHBondContact CE2-OE2 3.41Å; Y81-E178 PolarHBondContact OH-OE2 2.94Å; Y81-I185 HydrophobicContact CD1-CB 4.4Å; Y81-I185 HydrophobicContact CD1-CD1 3.57Å; Y81-I185 HydrophobicContact CD1-CG1 3.65Å; Y81-I185 HydrophobicContact CD1-CG2 3.8Å; Y81-I185 HydrophobicContact CD2-CD1 3.66Å; Y81-I185 HydrophobicContact CE1-CD1 3.98Å; Y81-I185 HydrophobicContact CE1-CG1 4.25Å; Y81-I185 HydrophobicContact CE1-CG2 3.64Å; Y81-I185 HydrophobicContact CE2-CD1 4.06Å; Y81-I185 HydrophobicContact CG-CD1 3.37Å; Y81-I185 HydrophobicContact CG-CG1 3.83Å
82W97.8Very high97.3Very high47 Ų4761.4 Ų61.418%0.17829%0.286CS..Hα-helixtrans-66.7-35.5-178.5-67.2110.6000112S78 K79 R85 R86 I185 S188 K189 F192S78-W82 VanDerWaalsContact O-CD1 3.29Å; S78-W82 PolarHBondContact O-N 3.47Å; K79-W82 PolarHBondContact O-N 3.2Å; K79-W82 VanDerWaalsContact O-N 3.1Å; W82-R85 PolarHBondContact O-N 3.18Å; W82-R86 PolarHBondContact O-N 3.1Å; W82-I185 HydrophobicContact CZ2-CG2 3.92Å; W82-S188 PolarHBondContact NE1-OG 2.63Å; W82-S188 VanDerWaalsContact NE1-OG 3.16Å; W82-K189 HydrophobicContact CH2-CG 4.46Å; W82-K189 HydrophobicContact CZ2-CB 4.34Å; W82-F192 HydrophobicContact CB-CD1 4.01Å; W82-F192 HydrophobicContact CB-CE1 3.97Å; W82-F192 HydrophobicContact CB-CZ 4.5Å; W82-F192 AromaticContact CD1-CD1 3.81Å; W82-F192 AromaticContact CD1-CD2 3.4Å; W82-F192 VanDerWaalsContact CD1-CD2 3.4Å; W82-F192 AromaticContact CD1-CE1 3.76Å; W82-F192 AromaticContact CD1-CE2 3.35Å; W82-F192 AromaticContact CD1-CG 3.64Å; W82-F192 AromaticContact CD1-CZ 3.54Å; W82-F192 HydrophobicContact CD2-CB 4.08Å; W82-F192 HydrophobicContact CD2-CD1 4.24Å; W82-F192 HydrophobicContact CD2-CD2 4.28Å; W82-F192 AromaticContact CD2-CG 3.93Å; W82-F192 HydrophobicContact CD2-CG 3.93Å; W82-F192 AromaticContact CE2-CD2 3.79Å; W82-F192 AromaticContact CE2-CG 3.84Å; W82-F192 HydrophobicContact CE3-CB 4.44Å; W82-F192 HydrophobicContact CG-CB 4.47Å; W82-F192 AromaticContact CG-CD1 3.76Å; W82-F192 HydrophobicContact CG-CD1 3.76Å; W82-F192 HydrophobicContact CG-CD2 4.06Å; W82-F192 AromaticContact CG-CE1 3.94Å; W82-F192 HydrophobicContact CG-CE1 3.94Å; W82-F192 HydrophobicContact CG-CE2 4.24Å; W82-F192 AromaticContact CG-CG 3.83Å; W82-F192 HydrophobicContact CG-CG 3.83Å; W82-F192 HydrophobicContact CG-CZ 4.19Å; W82-F192 HydrophobicContact CZ2-CB 4.2Å; W82-F192 HydrophobicContact CZ2-CD2 4.49Å; W82-F192 AromaticContact NE1-CD2 3.2Å; W82-F192 AromaticContact NE1-CE2 3.52Å; W82-F192 AromaticContact NE1-CG 3.64Å
83E96.4Very high97.4Very high105 Ų10564.9 Ų64.949%0.49130%0.296SS..Hα-helixtrans-63.6-49.6169.6-72.4165.8-161.900112K79 Y81 R85 R86 L87K79-E83 WeakPolarHBondContact O-CG 3.25Å; K79-E83 PolarHBondContact O-N 2.87Å; Y81-E83 VanDerWaalsContact C-N 3.33Å; Y81-E83 PolarHBondContact O-N 3.03Å; E83-R85 VanDerWaalsContact C-N 3.27Å; E83-R85 PolarHBondContact O-N 3.02Å; E83-R86 WeakPolarHBondContact O-CB 3.2Å; E83-R86 PolarHBondContact O-N 2.88Å; E83-L87 WeakPolarHBondContact O-CG 3.34Å; E83-L87 PolarHBondContact O-N 3.11Å
84A97.6Very high97.5Very high4 Ų460.9 Ų60.93%0.03328%0.28CS..Hα-helixtrans-60.9-35.617600000112.2P80 Y81 L87 A88 M174 L177P80-A84 VanDerWaalsContact O-CB 3.26Å; P80-A84 WeakPolarHBondContact O-CB 3.36Å; P80-A84 PolarHBondContact O-N 3.1Å; Y81-A84 PolarHBondContact O-N 2.87Å; A84-L87 PolarHBondContact O-N 3.22Å; A84-A88 VanDerWaalsContact O-CB 3.29Å; A84-A88 WeakPolarHBondContact O-CB 3.41Å; A84-A88 PolarHBondContact O-N 3.21Å; A84-M174 HydrophobicContact CB-CB 4.18Å; A84-L177 HydrophobicContact CB-CD1 3.73Å
85R97.5Very high97.5Very high96 Ų9660.4 Ų60.436%0.36228%0.278SS..Hα-helixtrans-71.9-26.9174.4-175.8168.8-179.8144.52.1113.2Y81 W82 E83 R89 M174Y81-R85 WeakPolarHBondContact O-CB 3.4Å; Y81-R85 PolarHBondContact O-N 2.92Å; Y81-R85 PolarHBondContact OH-NH1 3.16Å; W82-R85 PolarHBondContact O-N 3.18Å; E83-R85 VanDerWaalsContact C-N 3.27Å; E83-R85 PolarHBondContact O-N 3.02Å; R85-R89 PolarHBondContact O-N 2.91Å; R85-R89 PolarHBondContact O-NE 2.72Å; R85-M174 HydrophobicContact CB-CG 3.97Å; R85-M174 HydrophobicContact CB-SD 3.74Å; R85-M174 HydrophobicContact CG-SD 3.76Å
86R96Very high97.5Very high129 Ų12964.8 Ų64.849%0.48730%0.298SS..Hα-helixtrans-69.7-51168.2-169.1-169.969.980.4-3.3110.2W82 E83 A88 R89 Q90W82-R86 PolarHBondContact O-N 3.1Å; E83-R86 WeakPolarHBondContact O-CB 3.2Å; E83-R86 PolarHBondContact O-N 2.88Å; R86-A88 VanDerWaalsContact C-N 3.34Å; R86-A88 PolarHBondContact O-N 3.3Å; R86-R89 PolarHBondContact O-N 3.3Å; R86-Q90 PolarHBondContact O-N 2.68Å
87L96.6Very high97.6Very high87 Ų8765.9 Ų65.946%0.45530%0.302SS..Hα-helixtrans-61.1-39.4179.5-68172.1000112.6E83 A84 R89 Q90 A91E83-L87 WeakPolarHBondContact O-CG 3.34Å; E83-L87 PolarHBondContact O-N 3.11Å; A84-L87 PolarHBondContact O-N 3.22Å; L87-R89 VanDerWaalsContact C-N 3.35Å; L87-R89 PolarHBondContact O-N 3.46Å; L87-Q90 PolarHBondContact O-N 2.73Å; L87-A91 WeakPolarHBondContact O-CB 3.31Å; L87-A91 PolarHBondContact O-N 2.99Å
88A98Very high97.6Very high2 Ų261.7 Ų61.72%0.01728%0.284CS..Hα-helixtrans-63.9-37.1176.500000113A84 R86 Q92 A170 I171 M174A84-A88 VanDerWaalsContact O-CB 3.29Å; A84-A88 WeakPolarHBondContact O-CB 3.41Å; A84-A88 PolarHBondContact O-N 3.21Å; R86-A88 VanDerWaalsContact C-N 3.34Å; R86-A88 PolarHBondContact O-N 3.3Å; A88-Q92 WeakPolarHBondContact O-CB 3.4Å; A88-Q92 PolarHBondContact O-N 2.92Å; A88-A170 HydrophobicContact CB-CB 4.13Å; A88-I171 HydrophobicContact CB-CD1 3.87Å; A88-I171 HydrophobicContact CB-CG1 4.21Å; A88-M174 HydrophobicContact CB-CB 4.5Å; A88-M174 HydrophobicContact CB-SD 4.27Å
89R97.4Very high97.7Very high128 Ų12863.9 Ų63.948%0.48330%0.297SS..Hα-helixtrans-72.6-37.7173.9-75.9179.2-70-174.25.3112.5R85 R86 L87 Q92 L93R85-R89 PolarHBondContact O-N 2.91Å; R85-R89 PolarHBondContact O-NE 2.72Å; R86-R89 PolarHBondContact O-N 3.3Å; L87-R89 VanDerWaalsContact C-N 3.35Å; L87-R89 PolarHBondContact O-N 3.46Å; R89-Q92 WeakPolarHBondContact O-CB 3.45Å; R89-Q92 PolarHBondContact O-N 2.95Å; R89-L93 WeakPolarHBondContact O-CG 3.42Å; R89-L93 PolarHBondContact O-N 3.45Å; R89-L93 VanDerWaalsContact O-N 3.11Å
90Q97.3Very high97.8Very high70 Ų7066.5 Ų66.533%0.32731%0.311SS..Hα-helixtrans-59.2-53.4173.8-17861.933.100110.8R86 L87 Q92 L93 E94R86-Q90 PolarHBondContact O-N 2.68Å; L87-Q90 PolarHBondContact O-N 2.73Å; Q90-Q92 PolarHBondContact O-N 2.84Å; Q90-L93 PolarHBondContact O-N 3.48Å; Q90-L93 VanDerWaalsContact O-N 3.14Å; Q90-E94 VanDerWaalsContact CG-OE1 3.28Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.43Å; Q90-E94 PolarHBondContact NE2-OE1 2.81Å; Q90-E94 WeakPolarHBondContact O-CG 3.45Å; Q90-E94 PolarHBondContact O-N 3.24Å
91A97.6Very high97.8Very high8 Ų866.9 Ų66.97%0.06631%0.309CS..Hα-helixtrans-64-27.3177.900000113L87 A95 A170L87-A91 WeakPolarHBondContact O-CB 3.31Å; L87-A91 PolarHBondContact O-N 2.99Å; A91-A95 VanDerWaalsContact O-CB 3.25Å; A91-A95 WeakPolarHBondContact O-CB 3.46Å; A91-A95 PolarHBondContact O-N 3.27Å; A91-A170 HydrophobicContact CB-CB 4.49Å
92Q98.1Very high97.8Very high69 Ų6968.5 Ų68.532%0.32232%0.317SS..Hα-helixtrans-64.4-48.1172.1-171.2-172.6-25.500111.4A88 R89 Q90 A95 Q96 Y167A88-Q92 WeakPolarHBondContact O-CB 3.4Å; A88-Q92 PolarHBondContact O-N 2.92Å; R89-Q92 WeakPolarHBondContact O-CB 3.45Å; R89-Q92 PolarHBondContact O-N 2.95Å; Q90-Q92 PolarHBondContact O-N 2.84Å; Q92-A95 PolarHBondContact O-N 3.13Å; Q92-Q96 WeakPolarHBondContact O-CB 3.22Å; Q92-Q96 VanDerWaalsContact O-CG 3.29Å; Q92-Q96 WeakPolarHBondContact O-CG 3.36Å; Q92-Q96 PolarHBondContact O-N 3.12Å; Q92-Y167 HydrophobicContact CB-CD2 3.76Å; Q92-Y167 HydrophobicContact CB-CE2 3.55Å; Q92-Y167 HydrophobicContact CG-CD2 4.35Å; Q92-Y167 HydrophobicContact CG-CE2 3.79Å
93L98.3Very high97.8Very high104 Ų10470.7 Ų70.755%0.54533%0.332SS..Hα-helixtrans-65.8-40.8179.1-66.5171.9000111.2R89 Q90 Q96 K97R89-L93 WeakPolarHBondContact O-CG 3.42Å; R89-L93 PolarHBondContact O-N 3.45Å; R89-L93 VanDerWaalsContact O-N 3.11Å; Q90-L93 PolarHBondContact O-N 3.48Å; Q90-L93 VanDerWaalsContact O-N 3.14Å; L93-Q96 PolarHBondContact O-N 2.95Å; L93-K97 WeakPolarHBondContact O-CB 3.35Å; L93-K97 PolarHBondContact O-N 2.93Å
94E97.8Very high97.9Very high83 Ų8373.8 Ų73.839%0.38834%0.339SS..Hα-helixtrans-61.2-45.4174.3-71.1166.3-172.700112Q90 K97 A98 T163Q90-E94 VanDerWaalsContact CG-OE1 3.28Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.43Å; Q90-E94 PolarHBondContact NE2-OE1 2.81Å; Q90-E94 WeakPolarHBondContact O-CG 3.45Å; Q90-E94 PolarHBondContact O-N 3.24Å; E94-K97 PolarHBondContact O-N 3.25Å; E94-A98 WeakPolarHBondContact O-CB 3.26Å; E94-A98 PolarHBondContact O-N 3.43Å; E94-T163 HydrophobicContact CB-CG2 4.27Å
95A98.3Very high98Very high11 Ų1174 Ų749%0.09134%0.341CS..Hα-helixtrans-67.3-38.3176.600000112.6A91 Q92 T99A91-A95 VanDerWaalsContact O-CB 3.25Å; A91-A95 WeakPolarHBondContact O-CB 3.46Å; A91-A95 PolarHBondContact O-N 3.27Å; Q92-A95 PolarHBondContact O-N 3.13Å; A95-T99 WeakPolarHBondContact O-CB 3.47Å; A95-T99 PolarHBondContact O-N 2.93Å; A95-T99 PolarHBondContact O-OG1 3.31Å
96Q98.4Very high98Very high92 Ų9271.7 Ų71.743%0.4334%0.338SS..Hα-helixtrans-63-45.8174-77.3176.7-26.600111.1Q92 L93 T99 Q100Q92-Q96 WeakPolarHBondContact O-CB 3.22Å; Q92-Q96 VanDerWaalsContact O-CG 3.29Å; Q92-Q96 WeakPolarHBondContact O-CG 3.36Å; Q92-Q96 PolarHBondContact O-N 3.12Å; L93-Q96 PolarHBondContact O-N 2.95Å; Q96-T99 WeakPolarHBondContact O-CB 3.49Å; Q96-T99 PolarHBondContact O-N 3.09Å; Q96-Q100 WeakPolarHBondContact O-CG 3.19Å; Q96-Q100 PolarHBondContact O-N 3.37Å; Q96-Q100 VanDerWaalsContact O-N 3.08Å
97K98.4Very high98.1Very high126 Ų12670.3 Ų70.355%0.54834%0.337SS..Hα-helixtrans-61.1-50.9175.3-177.6177.5176.4-179.40111.7L93 E94 T99 Q100 D101L93-K97 WeakPolarHBondContact O-CB 3.35Å; L93-K97 PolarHBondContact O-N 2.93Å; E94-K97 PolarHBondContact O-N 3.25Å; K97-T99 PolarHBondContact O-N 3.39Å; K97-Q100 WeakPolarHBondContact O-CA 3.25Å; K97-Q100 WeakPolarHBondContact O-CB 3.5Å; K97-Q100 PolarHBondContact O-N 2.88Å; K97-D101 WeakPolarHBondContact CE-OD2 3.25Å; K97-D101 WeakPolarHBondContact CG-OD2 3.48Å; K97-D101 PolarHBondContact O-N 2.95Å
98A98.3Very high98.2Very high10 Ų1070.1 Ų70.18%0.08334%0.339CS..Hα-helixtrans-60.4-30.4179.100000112.9E94 F102 H160 T163E94-A98 WeakPolarHBondContact O-CB 3.26Å; E94-A98 PolarHBondContact O-N 3.43Å; A98-F102 VanDerWaalsContact O-CB 3.29Å; A98-F102 WeakPolarHBondContact O-CB 3.42Å; A98-F102 PolarHBondContact O-N 3.39Å; A98-H160 HydrophobicContact CB-CB 4.38Å; A98-T163 HydrophobicContact CB-CG2 4.27Å; A98-T163 WeakPolarHBondContact CB-OG1 3.22Å
99T98.6Very high98.2Very high45 Ų4570.7 Ų70.728%0.27634%0.342SS..Hα-helixtrans-67.5-43.3171.5-51.10000111.8A95 Q96 K97 F102 N103 H160A95-T99 WeakPolarHBondContact O-CB 3.47Å; A95-T99 PolarHBondContact O-N 2.93Å; A95-T99 PolarHBondContact O-OG1 3.31Å; Q96-T99 WeakPolarHBondContact O-CB 3.49Å; Q96-T99 PolarHBondContact O-N 3.09Å; K97-T99 PolarHBondContact O-N 3.39Å; T99-F102 PolarHBondContact O-N 3.44Å; T99-N103 WeakPolarHBondContact O-CB 3.27Å; T99-N103 PolarHBondContact O-N 3.02Å; T99-N103 PolarHBondContact O-OD1 2.99Å; T99-H160 PolarHBondContact OG1-CE1 2.9Å; T99-H160 PolarHBondContact OG1-ND1 3.33Å
100Q98.6Very high98.3Very high123 Ų12370.1 Ų70.158%0.57534%0.34SS*.Hα-helixtrans-64.6-42.2175.9-67.3172.313.400111.8Q96 K97 N103 R104Q96-Q100 WeakPolarHBondContact O-CG 3.19Å; Q96-Q100 PolarHBondContact O-N 3.37Å; Q96-Q100 VanDerWaalsContact O-N 3.08Å; K97-Q100 WeakPolarHBondContact O-CA 3.25Å; K97-Q100 WeakPolarHBondContact O-CB 3.5Å; K97-Q100 PolarHBondContact O-N 2.88Å; Q100-N103 PolarHBondContact O-N 3.26Å; Q100-R104 WeakPolarHBondContact O-CB 3.41Å; Q100-R104 PolarHBondContact O-N 2.92Å
101D98.4Very high98.3Very high61 Ų6168.7 Ų68.733%0.32634%0.339SS..Hα-helixtrans-65.3-41.8177.9-66.7-26.7000111.2K97 R104 A105K97-D101 WeakPolarHBondContact CE-OD2 3.25Å; K97-D101 WeakPolarHBondContact CG-OD2 3.48Å; K97-D101 PolarHBondContact O-N 2.95Å; D101-R104 PolarHBondContact O-N 2.88Å; D101-A105 WeakPolarHBondContact O-CB 3.36Å; D101-A105 PolarHBondContact O-N 3.01Å
102F98.7Very high98.3Very high39 Ų3968.9 Ų68.917%0.17134%0.341CS..Hα-helixtrans-64.9-42.8174.2169.4-107.2000113.4A98 T99 R104 A105 T106 K153 S156 E157 H160A98-F102 VanDerWaalsContact O-CB 3.29Å; A98-F102 WeakPolarHBondContact O-CB 3.42Å; A98-F102 PolarHBondContact O-N 3.39Å; T99-F102 PolarHBondContact O-N 3.44Å; F102-R104 VanDerWaalsContact C-N 3.33Å; F102-R104 PolarHBondContact O-N 3.07Å; F102-A105 PolarHBondContact O-N 2.87Å; F102-T106 WeakPolarHBondContact O-CB 3.4Å; F102-T106 PolarHBondContact O-N 2.7Å; F102-T106 PolarHBondContact O-OG1 3.03Å; F102-K153 HydrophobicContact CD2-CG 4.37Å; F102-K153 HydrophobicContact CE2-CG 3.97Å; F102-S156 WeakPolarHBondContact CA-OG 3.38Å; F102-E157 HydrophobicContact CD2-CB 3.64Å; F102-E157 HydrophobicContact CD2-CG 4.01Å; F102-E157 HydrophobicContact CE2-CB 3.52Å; F102-E157 HydrophobicContact CE2-CG 3.51Å; F102-E157 HydrophobicContact CZ-CB 4.49Å; F102-E157 HydrophobicContact CZ-CG 4.02Å; F102-H160 HydrophobicContact CB-CB 4.28Å
103N98.4Very high98.3Very high93 Ų9370.2 Ų70.250%0.49735%0.346SS..Hα-helixtrans-62.8-42.6175.6-70.5-5000110.7T99 Q100 T106 E107T99-N103 WeakPolarHBondContact O-CB 3.27Å; T99-N103 PolarHBondContact O-N 3.02Å; T99-N103 PolarHBondContact O-OD1 2.99Å; Q100-N103 PolarHBondContact O-N 3.26Å; N103-T106 PolarHBondContact O-N 2.72Å; N103-E107 WeakPolarHBondContact O-CB 3.33Å; N103-E107 PolarHBondContact O-N 2.78Å
104R98.6Very high98.2Very high169 Ų16969.6 Ų69.664%0.63834%0.341SS*.Hα-helixtrans-62.6-45.4176-170.3-173.5-58.7-162.71.4112.1Q100 D101 F102 T106 E107 V108Q100-R104 WeakPolarHBondContact O-CB 3.41Å; Q100-R104 PolarHBondContact O-N 2.92Å; D101-R104 PolarHBondContact O-N 2.88Å; F102-R104 VanDerWaalsContact C-N 3.33Å; F102-R104 PolarHBondContact O-N 3.07Å; R104-T106 VanDerWaalsContact C-N 3.33Å; R104-T106 PolarHBondContact O-N 3.12Å; R104-E107 PolarHBondContact O-N 2.83Å; R104-V108 WeakPolarHBondContact O-CG2 3.43Å; R104-V108 PolarHBondContact O-N 2.82Å
105A98.5Very high98Very high10 Ų1069.6 Ų69.68%0.08335%0.346CS..Hα-helixtrans-65.5-36.4177.600000112.4D101 F102 L109 T152 K153D101-A105 WeakPolarHBondContact O-CB 3.36Å; D101-A105 PolarHBondContact O-N 3.01Å; F102-A105 PolarHBondContact O-N 2.87Å; A105-L109 WeakPolarHBondContact O-CB 3.28Å; A105-L109 PolarHBondContact O-N 3.36Å; A105-T152 HydrophobicContact CB-CG2 4.17Å; A105-K153 HydrophobicContact CB-CB 4.31Å
106T98.6Very high97.8Very high46 Ų4670.2 Ų70.228%0.28235%0.348SS..Hα-helixtrans-65.6-40.2173.9-60.60000111.8F102 N103 R104 L109 R110F102-T106 WeakPolarHBondContact O-CB 3.4Å; F102-T106 PolarHBondContact O-N 2.7Å; F102-T106 PolarHBondContact O-OG1 3.03Å; N103-T106 PolarHBondContact O-N 2.72Å; R104-T106 VanDerWaalsContact C-N 3.33Å; R104-T106 PolarHBondContact O-N 3.12Å; T106-L109 PolarHBondContact O-N 2.86Å; T106-R110 WeakPolarHBondContact O-CB 3.39Å; T106-R110 PolarHBondContact O-N 3.44Å
107E98.4Very high97.6Very high100 Ų10069 Ų6947%0.46735%0.349SS..Hα-helixtrans-69.4-40177-177.860.9-171.500112.6N103 R104 L109 R110 A111N103-E107 WeakPolarHBondContact O-CB 3.33Å; N103-E107 PolarHBondContact O-N 2.78Å; R104-E107 PolarHBondContact O-N 2.83Å; E107-L109 VanDerWaalsContact C-N 3.33Å; E107-L109 PolarHBondContact O-N 2.94Å; E107-R110 WeakPolarHBondContact O-CB 3.47Å; E107-R110 PolarHBondContact O-N 3.07Å; E107-R110 IonicContact OE1-CZ 2.62Å; E107-R110 IonicContact OE1-NE 2.86Å; E107-R110 PolarHBondContact OE1-NE 3.45Å; E107-R110 IonicContact OE1-NH2 2.66Å; E107-R110 PolarHBondContact OE1-NH2 2.99Å; E107-R110 IonicContact OE2-CZ 3.21Å; E107-R110 IonicContact OE2-NE 3.08Å; E107-R110 PolarHBondContact OE2-NE 3.38Å; E107-R110 IonicContact OE2-NH2 2.63Å; E107-A111 PolarHBondContact O-N 3.46Å
108V98.3Very high97.3Very high83 Ų8366.4 Ų66.450%0.50334%0.341SS..Hα-helixtrans-60.9-42.1172.5169.60000111.1R104 A112 A149R104-V108 WeakPolarHBondContact O-CG2 3.43Å; R104-V108 PolarHBondContact O-N 2.82Å; V108-A112 WeakPolarHBondContact O-CB 3.29Å; V108-A112 PolarHBondContact O-N 3.33Å; V108-A149 HydrophobicContact CG1-CB 4.2Å
109L98.3Very high96.8Very high15 Ų1566.5 Ų66.58%0.07934%0.341CS..Hα-helixtrans-63.7-41.9173.9174.760.2000112.2A105 T106 E107 A112 K113 V146 A149 E150 K153A105-L109 WeakPolarHBondContact O-CB 3.28Å; A105-L109 PolarHBondContact O-N 3.36Å; T106-L109 PolarHBondContact O-N 2.86Å; E107-L109 VanDerWaalsContact C-N 3.33Å; E107-L109 PolarHBondContact O-N 2.94Å; L109-A112 PolarHBondContact O-N 3.18Å; L109-K113 HydrophobicContact CD1-CD 4.07Å; L109-K113 HydrophobicContact CD1-CG 4.12Å; L109-K113 HydrophobicContact CG-CD 4.47Å; L109-K113 PolarHBondContact O-N 3.5Å; L109-V146 HydrophobicContact CD1-CG1 4.15Å; L109-A149 HydrophobicContact CB-CB 3.99Å; L109-A149 HydrophobicContact CD1-CB 4Å; L109-E150 HydrophobicContact CD1-CB 4.42Å; L109-E150 HydrophobicContact CD1-CG 3.31Å; L109-E150 HydrophobicContact CD2-CG 3.8Å; L109-E150 HydrophobicContact CG-CG 4.19Å; L109-K153 HydrophobicContact CD2-CB 4.46Å; L109-K153 HydrophobicContact CD2-CD 3.66Å
110R98.3Very high96.2Very high116 Ų11669.4 Ų69.444%0.43835%0.352SS..Hα-helixtrans-58.2-50.3177.6-167.7-163.463.763.36.4110.6T106 E107 K113 E114T106-R110 WeakPolarHBondContact O-CB 3.39Å; T106-R110 PolarHBondContact O-N 3.44Å; E107-R110 WeakPolarHBondContact O-CB 3.47Å; E107-R110 PolarHBondContact O-N 3.07Å; E107-R110 IonicContact OE1-CZ 2.62Å; E107-R110 IonicContact OE1-NE 2.86Å; E107-R110 PolarHBondContact OE1-NE 3.45Å; E107-R110 IonicContact OE1-NH2 2.66Å; E107-R110 PolarHBondContact OE1-NH2 2.99Å; E107-R110 IonicContact OE2-CZ 3.21Å; E107-R110 IonicContact OE2-NE 3.08Å; E107-R110 PolarHBondContact OE2-NE 3.38Å; E107-R110 IonicContact OE2-NH2 2.63Å; R110-K113 PolarHBondContact O-N 3.27Å; R110-E114 IonicContact CZ-OE2 3.7Å; R110-E114 IonicContact NH1-OE2 2.98Å; R110-E114 PolarHBondContact NH1-OE2 2.98Å; R110-E114 IonicContact NH2-OE2 3.08Å; R110-E114 WeakPolarHBondContact O-CB 3.41Å; R110-E114 PolarHBondContact O-N 3.46Å
111A97.8Very high95.7Very high39 Ų3968.2 Ų68.232%0.32235%0.346SS..Hα-helixtrans-65.4-36.7177.800000113.1E107 E114 T115E107-A111 PolarHBondContact O-N 3.46Å; A111-E114 PolarHBondContact O-N 3.34Å; A111-T115 PolarHBondContact O-N 2.92Å; A111-T115 PolarHBondContact O-OG1 3.37Å
112A97.3Very high95.1Very high13 Ų1371.6 Ų71.611%0.10736%0.355CS..Hα-helixtrans-65.1-40.3175.800000112.1V108 L109 T115 I116 V146V108-A112 WeakPolarHBondContact O-CB 3.29Å; V108-A112 PolarHBondContact O-N 3.33Å; L109-A112 PolarHBondContact O-N 3.18Å; A112-T115 WeakPolarHBondContact O-CB 3.32Å; A112-T115 PolarHBondContact O-N 3.49Å; A112-I116 PolarHBondContact O-N 2.92Å; A112-V146 VanDerWaalsContact C-CG2 3.46Å; A112-V146 HydrophobicContact CB-CG2 3.62Å; A112-V146 WeakPolarHBondContact O-CG2 3.32Å
113K97.2Very high94.2Very high96 Ų9672 Ų7242%0.41736%0.358SS..Hα-helixtrans-71.1-36.8174.9-75.1-173.2160.5-178.60112.9L109 R110 T115 I116 S117 V146 E150L109-K113 HydrophobicContact CD1-CD 4.07Å; L109-K113 HydrophobicContact CD1-CG 4.12Å; L109-K113 HydrophobicContact CG-CD 4.47Å; L109-K113 PolarHBondContact O-N 3.5Å; R110-K113 PolarHBondContact O-N 3.27Å; K113-T115 VanDerWaalsContact C-N 3.28Å; K113-T115 PolarHBondContact O-N 3.46Å; K113-I116 PolarHBondContact O-N 2.9Å; K113-S117 PolarHBondContact O-N 2.72Å; K113-V146 HydrophobicContact CD-CG1 4.42Å; K113-V146 HydrophobicContact CG-CG1 3.91Å; K113-V146 HydrophobicContact CG-CG2 3.9Å; K113-E150 WeakPolarHBondContact CE-OE1 3.45Å; K113-E150 IonicContact NZ-OE1 3.32Å; K113-E150 PolarHBondContact NZ-OE1 3.37Å
114E96.6Very high93.2Very high92 Ų9274.2 Ų74.243%0.4337%0.37SS..Hα-helixtrans-59.9-37.9171-175.3172.9-162.300111.6R110 A111 I116 S117 L118R110-E114 IonicContact CZ-OE2 3.7Å; R110-E114 IonicContact NH1-OE2 2.98Å; R110-E114 PolarHBondContact NH1-OE2 2.98Å; R110-E114 IonicContact NH2-OE2 3.08Å; R110-E114 WeakPolarHBondContact O-CB 3.41Å; R110-E114 PolarHBondContact O-N 3.46Å; A111-E114 PolarHBondContact O-N 3.34Å; E114-I116 PolarHBondContact O-N 3.08Å; E114-S117 PolarHBondContact O-N 3.01Å; E114-L118 HydrophobicContact CG-CD1 3.98Å; E114-L118 WeakPolarHBondContact O-CB 3.24Å; E114-L118 VanDerWaalsContact O-CG 3.27Å; E114-L118 WeakPolarHBondContact O-CG 3.44Å; E114-L118 PolarHBondContact O-N 3.01Å
115T94.4Very high92.3Very high82 Ų8272.1 Ų72.150%0.50337%0.367SS..Hα-helixtrans-62.1-42.6174.9-55.70000112.4A111 A112 K113 A119 A142A111-T115 PolarHBondContact O-N 2.92Å; A111-T115 PolarHBondContact O-OG1 3.37Å; A112-T115 WeakPolarHBondContact O-CB 3.32Å; A112-T115 PolarHBondContact O-N 3.49Å; K113-T115 VanDerWaalsContact C-N 3.28Å; K113-T115 PolarHBondContact O-N 3.46Å; T115-A119 PolarHBondContact O-N 2.84Å; T115-A142 HydrophobicContact CG2-CB 4.49Å
116I93.4Very high91.3Very high25 Ų2575.5 Ų75.513%0.12838%0.381CS..Hα-helixtrans-66.4-47.9175.4-62.4-176.5000110.4A112 K113 E114 L118 A119 E120 L139 A142 V146A112-I116 PolarHBondContact O-N 2.92Å; K113-I116 PolarHBondContact O-N 2.9Å; E114-I116 PolarHBondContact O-N 3.08Å; I116-L118 VanDerWaalsContact C-N 3.26Å; I116-L118 PolarHBondContact O-N 3.22Å; I116-A119 CarbonylContact O-C 3.6Å; I116-A119 WeakPolarHBondContact O-CA 3.44Å; I116-A119 WeakPolarHBondContact O-CB 3.43Å; I116-A119 PolarHBondContact O-N 2.96Å; I116-E120 HydrophobicContact CG2-CG 4.19Å; I116-E120 WeakPolarHBondContact O-CG 3.36Å; I116-E120 PolarHBondContact O-N 3.03Å; I116-L139 HydrophobicContact CG2-CD1 4.34Å; I116-A142 HydrophobicContact CG1-CB 3.85Å; I116-V146 HydrophobicContact CD1-CB 4.16Å; I116-V146 HydrophobicContact CD1-CG2 3.55Å; I116-V146 HydrophobicContact CG1-CG2 4.2Å
117S94.3Very high89.7Confident65 Ų6581.1 Ų81.146%0.45541%0.409SS..Hα-helixtrans-60.4-34.7-179.2-171.40000113K113 E114 A119 Q121K113-S117 PolarHBondContact O-N 2.72Å; E114-S117 PolarHBondContact O-N 3.01Å; S117-A119 VanDerWaalsContact C-N 3.34Å; S117-Q121 WeakPolarHBondContact O-CB 3.15Å; S117-Q121 PolarHBondContact O-N 3.33Å
118L91.5Very high88.2Confident73 Ų7383.6 Ų83.638%0.38243%0.426SS..Hα-helixtrans-77-15.9174-70.5170.8000114.1E114 I116 R122E114-L118 HydrophobicContact CG-CD1 3.98Å; E114-L118 WeakPolarHBondContact O-CB 3.24Å; E114-L118 VanDerWaalsContact O-CG 3.27Å; E114-L118 WeakPolarHBondContact O-CG 3.44Å; E114-L118 PolarHBondContact O-N 3.01Å; I116-L118 VanDerWaalsContact C-N 3.26Å; I116-L118 PolarHBondContact O-N 3.22Å; L118-R122 WeakPolarHBondContact O-CG 3.5Å; L118-R122 PolarHBondContact O-NH1 3.21Å
119A87.9Confident86.7Confident11 Ų1183.8 Ų83.89%0.09142%0.417CS..Hα-helixtrans-84.9-41169.300000111T115 I116 S117 R122 L123 M138T115-A119 PolarHBondContact O-N 2.84Å; I116-A119 CarbonylContact O-C 3.6Å; I116-A119 WeakPolarHBondContact O-CA 3.44Å; I116-A119 WeakPolarHBondContact O-CB 3.43Å; I116-A119 PolarHBondContact O-N 2.96Å; S117-A119 VanDerWaalsContact C-N 3.34Å; A119-R122 PolarHBondContact O-N 2.67Å; A119-L123 PolarHBondContact O-N 3.48Å; A119-L123 VanDerWaalsContact O-N 3.09Å; A119-M138 HydrophobicContact CB-CE 4.13Å
120E87Confident85.3Confident106 Ų10690.9 Ų90.950%0.49545%0.45SS..Hα-helixtrans-58-49.8170.6-68.6170.2165.200111I116 R122 L123 L124I116-E120 HydrophobicContact CG2-CG 4.19Å; I116-E120 WeakPolarHBondContact O-CG 3.36Å; I116-E120 PolarHBondContact O-N 3.03Å; E120-R122 PolarHBondContact O-N 2.85Å; E120-L123 WeakPolarHBondContact O-CB 3.43Å; E120-L123 PolarHBondContact O-N 3.4Å; E120-L123 VanDerWaalsContact O-N 3.11Å; E120-L124 WeakPolarHBondContact O-CD1 3.47Å; E120-L124 PolarHBondContact O-N 3.34Å; E120-L124 VanDerWaalsContact O-N 3.12Å
121Q88.7Confident83.8Confident98 Ų9892.2 Ų92.246%0.45846%0.459SS..Hα-helixtrans-56.6-47.5178.4-179.1178.7-11.400112.1S117 L123 L124 E125S117-Q121 WeakPolarHBondContact O-CB 3.15Å; S117-Q121 PolarHBondContact O-N 3.33Å; Q121-L123 VanDerWaalsContact C-N 3.28Å; Q121-L123 PolarHBondContact O-N 3.04Å; Q121-L124 PolarHBondContact O-N 2.98Å; Q121-L124 VanDerWaalsContact O-N 3.12Å; Q121-E125 HydrophobicContact CG-CG 4.4Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.34Å; Q121-E125 PolarHBondContact NE2-OE1 2.62Å; Q121-E125 WeakPolarHBondContact O-CG 3.46Å; Q121-E125 PolarHBondContact O-N 3.39Å
122R84.3Confident83.2Confident132 Ų13294.3 Ų94.350%0.49847%0.465SS..Hα-helixtrans-64.4-31178.2-76.6-175.6-178.481.3-1.8113.4L118 A119 E120 L124 E125 E126L118-R122 WeakPolarHBondContact O-CG 3.5Å; L118-R122 PolarHBondContact O-NH1 3.21Å; A119-R122 PolarHBondContact O-N 2.67Å; E120-R122 PolarHBondContact O-N 2.85Å; R122-L124 VanDerWaalsContact C-N 3.33Å; R122-E125 PolarHBondContact O-N 3.39Å; R122-E126 PolarHBondContact O-N 2.9Å
123L80Confident82.6Confident48 Ų4897.2 Ų97.225%0.25149%0.485SS..Hα-helixtrans-66.8-36.8174.2-173.471.8000111.6A119 E120 Q121 F131 W135A119-L123 PolarHBondContact O-N 3.48Å; A119-L123 VanDerWaalsContact O-N 3.09Å; E120-L123 WeakPolarHBondContact O-CB 3.43Å; E120-L123 PolarHBondContact O-N 3.4Å; E120-L123 VanDerWaalsContact O-N 3.11Å; Q121-L123 VanDerWaalsContact C-N 3.28Å; Q121-L123 PolarHBondContact O-N 3.04Å; L123-F131 HydrophobicContact CD1-CD1 4.38Å; L123-F131 HydrophobicContact CD1-CE1 3.65Å; L123-F131 HydrophobicContact CD1-CE2 4.4Å; L123-F131 HydrophobicContact CD1-CZ 3.68Å; L123-F131 HydrophobicContact CD2-CE1 3.83Å; L123-F131 HydrophobicContact CD2-CZ 3.86Å; L123-F131 HydrophobicContact CG-CE1 4.37Å; L123-F131 HydrophobicContact CG-CZ 4.27Å; L123-W135 HydrophobicContact CB-CH2 4.49Å; L123-W135 HydrophobicContact CB-CZ2 4.05Å; L123-W135 HydrophobicContact CD1-CH2 4.11Å; L123-W135 HydrophobicContact CD1-CZ2 4.02Å; L123-W135 HydrophobicContact CD2-CH2 3.82Å; L123-W135 HydrophobicContact CD2-CZ2 4.22Å; L123-W135 HydrophobicContact CG-CH2 4.37Å; L123-W135 HydrophobicContact CG-CZ2 4.33Å
124L78Confident82.2Confident140 Ų14095.7 Ų95.773%0.73349%0.49SS*.Hα-helixtrans-77.8-20.4175.9-83.879.2000113.5E120 Q121 R122E120-L124 WeakPolarHBondContact O-CD1 3.47Å; E120-L124 PolarHBondContact O-N 3.34Å; E120-L124 VanDerWaalsContact O-N 3.12Å; Q121-L124 PolarHBondContact O-N 2.98Å; Q121-L124 VanDerWaalsContact O-N 3.12Å; R122-L124 VanDerWaalsContact C-N 3.33Å
125E80.1Confident81.6Confident125 Ų12592.4 Ų92.458%0.58447%0.474SS*.Hα-helixtrans-88.1-21179-73.6173.5173.800113.6Q121 R122Q121-E125 HydrophobicContact CG-CG 4.4Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.34Å; Q121-E125 PolarHBondContact NE2-OE1 2.62Å; Q121-E125 WeakPolarHBondContact O-CG 3.46Å; Q121-E125 PolarHBondContact O-N 3.39Å; R122-E125 PolarHBondContact O-N 3.39Å
126E76.8Confident81.3Confident80 Ų8094 Ų9437%0.37448%0.475SS..  trans-11175.2-175.5-64.3-177.3-137.500112.6R122 N128 R129R122-E126 PolarHBondContact O-N 2.9Å; E126-N128 PolarHBondContact O-N 3.13Å; E126-R129 HydrophobicContact CB-CB 3.72Å; E126-R129 VanDerWaalsContact CD-NH2 3.33Å; E126-R129 WeakPolarHBondContact O-CB 3.42Å; E126-R129 PolarHBondContact O-N 3.46Å; E126-R129 IonicContact OE1-CZ 3.48Å; E126-R129 IonicContact OE1-NE 2.77Å; E126-R129 PolarHBondContact OE1-NE 3.49Å; E126-R129 IonicContact OE1-NH2 2.82Å; E126-R129 PolarHBondContact OE1-NH2 3.37Å; E126-R129 IonicContact OE2-CZ 3.29Å; E126-R129 VanDerWaalsContact OE2-CZ 3.25Å; E126-R129 IonicContact OE2-NE 3.2Å; E126-R129 PolarHBondContact OE2-NE 3.06Å; E126-R129 IonicContact OE2-NH2 3.22Å; E126-R129 PolarHBondContact OE2-NH2 2.96Å
127D65.2Low81.2Confident164 Ų16497.8 Ų97.888%0.87749%0.492SS*.THydrogen-bonded Turntrans-48.7-18.5-178.9-95.8-22.8000116.7
128N65.9Low81.1Confident153 Ų15399 Ų9982%0.81849%0.492SS*.THydrogen-bonded Turntrans-112.87.5178.6-76.5-79.3000113.8E126 Q130E126-N128 PolarHBondContact O-N 3.13Å; N128-Q130 PolarHBondContact O-N 3.4Å
129R68.4Low81Confident86 Ų8697.7 Ų97.733%0.32549%0.485SS..  trans-69.1118.1178.9175.8175.7-82.4-94.42.9110E126E126-R129 HydrophobicContact CB-CB 3.72Å; E126-R129 VanDerWaalsContact CD-NH2 3.33Å; E126-R129 WeakPolarHBondContact O-CB 3.42Å; E126-R129 PolarHBondContact O-N 3.46Å; E126-R129 IonicContact OE1-CZ 3.48Å; E126-R129 IonicContact OE1-NE 2.77Å; E126-R129 PolarHBondContact OE1-NE 3.49Å; E126-R129 IonicContact OE1-NH2 2.82Å; E126-R129 PolarHBondContact OE1-NH2 3.37Å; E126-R129 IonicContact OE2-CZ 3.29Å; E126-R129 VanDerWaalsContact OE2-CZ 3.25Å; E126-R129 IonicContact OE2-NE 3.2Å; E126-R129 PolarHBondContact OE2-NE 3.06Å; E126-R129 IonicContact OE2-NH2 3.22Å; E126-R129 PolarHBondContact OE2-NH2 2.96Å
130Q67.4Low81.3Confident164 Ų164101.7 Ų101.777%0.76651%0.505SS*.  trans-76.6138.4172.7-67.7159.432.700109.3N128 D132N128-Q130 PolarHBondContact O-N 3.4Å; Q130-D132 VanDerWaalsContact C-N 3.28Å; Q130-D132 PolarHBondContact O-N 3.45Å
131F68.3Low81.6Confident144 Ų144102.4 Ų102.463%0.63251%0.508SS*.  trans-72.785.2170.7-68-91.3000109L123 W135L123-F131 HydrophobicContact CD1-CD1 4.38Å; L123-F131 HydrophobicContact CD1-CE1 3.65Å; L123-F131 HydrophobicContact CD1-CE2 4.4Å; L123-F131 HydrophobicContact CD1-CZ 3.68Å; L123-F131 HydrophobicContact CD2-CE1 3.83Å; L123-F131 HydrophobicContact CD2-CZ 3.86Å; L123-F131 HydrophobicContact CG-CE1 4.37Å; L123-F131 HydrophobicContact CG-CZ 4.27Å; F131-W135 AromaticContact CD1-CE3 3.82Å; F131-W135 HydrophobicContact CD1-CE3 3.82Å; F131-W135 HydrophobicContact CD1-CH2 4.49Å; F131-W135 AromaticContact CD1-CZ3 3.64Å; F131-W135 HydrophobicContact CD1-CZ3 3.64Å; F131-W135 HydrophobicContact CE1-CE3 4.28Å; F131-W135 HydrophobicContact CE1-CH2 4.13Å; F131-W135 AromaticContact CE1-CZ3 3.67Å; F131-W135 HydrophobicContact CE1-CZ3 3.67Å
132D83.6Confident81.9Confident83 Ų8398.4 Ų98.444%0.44449%0.492SS..  trans-78.2165172.669.128.7000112.1Q130 A134 W135 Q136Q130-D132 VanDerWaalsContact C-N 3.28Å; Q130-D132 PolarHBondContact O-N 3.45Å; D132-A134 VanDerWaalsContact C-N 3.29Å; D132-A134 PolarHBondContact O-N 2.8Å; D132-A134 PolarHBondContact OD1-N 3.39Å; D132-W135 PolarHBondContact O-N 3.33Å; D132-W135 VanDerWaalsContact OD1-CB 3.31Å; D132-W135 WeakPolarHBondContact OD1-CB 3.41Å; D132-W135 PolarHBondContact OD1-N 3.49Å; D132-Q136 PolarHBondContact O-N 3.36Å; D132-Q136 VanDerWaalsContact O-N 3.16Å
133S86.2Confident82.4Confident75 Ų7594.8 Ų94.852%0.52449%0.485SS..Hα-helixtrans-60.4-40.6-178.5-156.70000111.5W135 Q136 E137S133-W135 PolarHBondContact O-N 2.89Å; S133-Q136 PolarHBondContact O-N 3.05Å; S133-E137 VanDerWaalsContact CB-OE1 3.26Å; S133-E137 WeakPolarHBondContact CB-OE1 3.37Å; S133-E137 WeakPolarHBondContact O-CB 3.39Å; S133-E137 WeakPolarHBondContact O-CG 3.32Å; S133-E137 PolarHBondContact O-N 3.45Å; S133-E137 PolarHBondContact OG-OE1 3.31Å
134A87.6Confident83.2Confident63 Ų6396.6 Ų96.652%0.52149%0.492SS..Hα-helixtrans-64.1-38.7-17800000112.9D132 M138D132-A134 VanDerWaalsContact C-N 3.29Å; D132-A134 PolarHBondContact O-N 2.8Å; D132-A134 PolarHBondContact OD1-N 3.39Å; A134-M138 VanDerWaalsContact O-CB 3.27Å; A134-M138 WeakPolarHBondContact O-CB 3.47Å; A134-M138 PolarHBondContact O-N 3.04Å
135W85.7Confident84.1Confident24 Ų2497.7 Ų97.79%0.09149%0.486CS..Hα-helixtrans-71.1-38.2175.3-170.193.4000111.6L123 F131 D132 S133 M138 L139L123-W135 HydrophobicContact CB-CH2 4.49Å; L123-W135 HydrophobicContact CB-CZ2 4.05Å; L123-W135 HydrophobicContact CD1-CH2 4.11Å; L123-W135 HydrophobicContact CD1-CZ2 4.02Å; L123-W135 HydrophobicContact CD2-CH2 3.82Å; L123-W135 HydrophobicContact CD2-CZ2 4.22Å; L123-W135 HydrophobicContact CG-CH2 4.37Å; L123-W135 HydrophobicContact CG-CZ2 4.33Å; F131-W135 AromaticContact CD1-CE3 3.82Å; F131-W135 HydrophobicContact CD1-CE3 3.82Å; F131-W135 HydrophobicContact CD1-CH2 4.49Å; F131-W135 AromaticContact CD1-CZ3 3.64Å; F131-W135 HydrophobicContact CD1-CZ3 3.64Å; F131-W135 HydrophobicContact CE1-CE3 4.28Å; F131-W135 HydrophobicContact CE1-CH2 4.13Å; F131-W135 AromaticContact CE1-CZ3 3.67Å; F131-W135 HydrophobicContact CE1-CZ3 3.67Å; D132-W135 PolarHBondContact O-N 3.33Å; D132-W135 VanDerWaalsContact OD1-CB 3.31Å; D132-W135 WeakPolarHBondContact OD1-CB 3.41Å; D132-W135 PolarHBondContact OD1-N 3.49Å; S133-W135 PolarHBondContact O-N 2.89Å; W135-M138 HydrophobicContact CD2-CE 4.39Å; W135-M138 HydrophobicContact CG-CE 4.09Å; W135-M138 PolarHBondContact O-N 3.19Å; W135-L139 HydrophobicContact CH2-CD2 3.75Å; W135-L139 HydrophobicContact CZ3-CB 4.41Å; W135-L139 HydrophobicContact CZ3-CD2 3.75Å; W135-L139 PolarHBondContact O-N 3.41Å
136Q88.1Confident85Confident115 Ų11592.3 Ų92.354%0.53746%0.462SS..Hα-helixtrans-64.9-43.9173.8-170.6-178.9-99.700111.7D132 S133 L139 N140D132-Q136 PolarHBondContact O-N 3.36Å; D132-Q136 VanDerWaalsContact O-N 3.16Å; S133-Q136 PolarHBondContact O-N 3.05Å; Q136-L139 PolarHBondContact O-N 3.46Å; Q136-N140 WeakPolarHBondContact O-CB 3.45Å; Q136-N140 PolarHBondContact O-N 3.05Å; Q136-N140 PolarHBondContact O-ND2 3.17Å
137E91.2Very high86Confident104 Ų10494 Ų9449%0.48647%0.471SS..Hα-helixtrans-61.6-44.1174.5-72.7157.9-136.200111.6S133 L139 N140 H141S133-E137 VanDerWaalsContact CB-OE1 3.26Å; S133-E137 WeakPolarHBondContact CB-OE1 3.37Å; S133-E137 WeakPolarHBondContact O-CB 3.39Å; S133-E137 WeakPolarHBondContact O-CG 3.32Å; S133-E137 PolarHBondContact O-N 3.45Å; S133-E137 PolarHBondContact OG-OE1 3.31Å; E137-L139 PolarHBondContact O-N 2.9Å; E137-N140 PolarHBondContact O-N 2.96Å; E137-H141 PolarHBondContact O-N 3.39Å
138M91Very high87.5Confident92 Ų9291 Ų9145%0.45345%0.452SS..Hα-helixtrans-57.6-47.2173.4179.8-163.17000111.7A119 A134 W135 H141 A142A119-M138 HydrophobicContact CB-CE 4.13Å; A134-M138 VanDerWaalsContact O-CB 3.27Å; A134-M138 WeakPolarHBondContact O-CB 3.47Å; A134-M138 PolarHBondContact O-N 3.04Å; W135-M138 HydrophobicContact CD2-CE 4.39Å; W135-M138 HydrophobicContact CG-CE 4.09Å; W135-M138 PolarHBondContact O-N 3.19Å; M138-H141 PolarHBondContact O-N 2.96Å; M138-A142 WeakPolarHBondContact O-CB 3.38Å; M138-A142 PolarHBondContact O-N 3.13Å
139L89.8Confident89.1Confident44 Ų4484 Ų8423%0.2342%0.415CS..Hα-helixtrans-68.3-38.2179.9-174.365.1000112I116 W135 Q136 E137 A142 T143I116-L139 HydrophobicContact CG2-CD1 4.34Å; W135-L139 HydrophobicContact CH2-CD2 3.75Å; W135-L139 HydrophobicContact CZ3-CB 4.41Å; W135-L139 HydrophobicContact CZ3-CD2 3.75Å; W135-L139 PolarHBondContact O-N 3.41Å; Q136-L139 PolarHBondContact O-N 3.46Å; E137-L139 PolarHBondContact O-N 2.9Å; L139-A142 PolarHBondContact O-N 2.79Å; L139-T143 WeakPolarHBondContact O-CB 3.41Å; L139-T143 PolarHBondContact O-N 2.93Å; L139-T143 PolarHBondContact O-OG1 2.9Å
140N93.3Very high90.5Very high96 Ų9683.7 Ų83.751%0.51342%0.417SS..Hα-helixtrans-59.8-47.6172.9-74.4-23.5000110.9Q136 E137 A142 T143 Q144Q136-N140 WeakPolarHBondContact O-CB 3.45Å; Q136-N140 PolarHBondContact O-N 3.05Å; Q136-N140 PolarHBondContact O-ND2 3.17Å; E137-N140 PolarHBondContact O-N 2.96Å; N140-A142 PolarHBondContact O-N 3.24Å; N140-T143 PolarHBondContact O-N 3.45Å; N140-Q144 WeakPolarHBondContact O-CB 3.35Å; N140-Q144 PolarHBondContact O-N 3.27Å
141H95Very high92Very high121 Ų12181.4 Ų81.456%0.5641%0.406SS*.Hα-helixtrans-63.5-40.2176.1-105.7-39.3000113E137 M138 R145E137-H141 PolarHBondContact O-N 3.39Å; M138-H141 PolarHBondContact O-N 2.96Å; H141-R145 WeakPolarHBondContact O-CB 3.27Å; H141-R145 VanDerWaalsContact O-CG 3.27Å; H141-R145 WeakPolarHBondContact O-CG 3.48Å; H141-R145 PolarHBondContact O-N 3.38Å
142A94.3Very high93.4Very high13 Ų1378.2 Ų78.211%0.10740%0.399CS..Hα-helixtrans-63.6-42.7175.900000111.5T115 I116 M138 L139 N140 R145 V146T115-A142 HydrophobicContact CG2-CB 4.49Å; I116-A142 HydrophobicContact CG1-CB 3.85Å; M138-A142 WeakPolarHBondContact O-CB 3.38Å; M138-A142 PolarHBondContact O-N 3.13Å; L139-A142 PolarHBondContact O-N 2.79Å; N140-A142 PolarHBondContact O-N 3.24Å; A142-R145 PolarHBondContact O-N 2.95Å; A142-V146 PolarHBondContact O-N 3.27Å
143T94.8Very high94.1Very high57 Ų5777 Ų7735%0.3539%0.39SS..Hα-helixtrans-63.5-46.6176.9-56.10000111.6L139 N140 R145 V146 M147L139-T143 WeakPolarHBondContact O-CB 3.41Å; L139-T143 PolarHBondContact O-N 2.93Å; L139-T143 PolarHBondContact O-OG1 2.9Å; N140-T143 PolarHBondContact O-N 3.45Å; T143-R145 VanDerWaalsContact C-N 3.35Å; T143-R145 PolarHBondContact O-N 2.79Å; T143-V146 PolarHBondContact O-N 3.41Å; T143-M147 HydrophobicContact CG2-CE 4.49Å; T143-M147 PolarHBondContact O-N 3.22Å; T143-M147 VanDerWaalsContact O-N 3.08Å
144Q97.1Very high94.7Very high86 Ų8677.8 Ų77.840%0.40239%0.391SS..Hα-helixtrans-56.5-48173.6179.9-178.6-10.400111.5N140 V146 M147 E148N140-Q144 WeakPolarHBondContact O-CB 3.35Å; N140-Q144 PolarHBondContact O-N 3.27Å; Q144-V146 VanDerWaalsContact C-N 3.29Å; Q144-V146 PolarHBondContact O-N 2.95Å; Q144-M147 PolarHBondContact O-N 2.91Å; Q144-M147 VanDerWaalsContact O-N 3.1Å; Q144-E148 HydrophobicContact CG-CG 4.4Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.4Å; Q144-E148 PolarHBondContact NE2-OE1 3.36Å; Q144-E148 WeakPolarHBondContact O-CG 3.24Å; Q144-E148 PolarHBondContact O-N 2.87Å
145R97.1Very high95.2Very high162 Ų16282.7 Ų82.761%0.61140%0.396SS*.Hα-helixtrans-63.9-30.8179.5-73.9176.964.3141.33.2113.2H141 A142 T143 A149H141-R145 WeakPolarHBondContact O-CB 3.27Å; H141-R145 VanDerWaalsContact O-CG 3.27Å; H141-R145 WeakPolarHBondContact O-CG 3.48Å; H141-R145 PolarHBondContact O-N 3.38Å; A142-R145 PolarHBondContact O-N 2.95Å; T143-R145 VanDerWaalsContact C-N 3.35Å; T143-R145 PolarHBondContact O-N 2.79Å; R145-A149 WeakPolarHBondContact O-CB 3.38Å; R145-A149 PolarHBondContact O-N 3.36Å
146V98.1Very high95.8Very high12 Ų1282.3 Ų82.37%0.07340%0.397CS..Hα-helixtrans-66.4-48170.1167.70000110.9L109 A112 K113 I116 A142 T143 Q144 E148 A149 E150L109-V146 HydrophobicContact CD1-CG1 4.15Å; A112-V146 VanDerWaalsContact C-CG2 3.46Å; A112-V146 HydrophobicContact CB-CG2 3.62Å; A112-V146 WeakPolarHBondContact O-CG2 3.32Å; K113-V146 HydrophobicContact CD-CG1 4.42Å; K113-V146 HydrophobicContact CG-CG1 3.91Å; K113-V146 HydrophobicContact CG-CG2 3.9Å; I116-V146 HydrophobicContact CD1-CB 4.16Å; I116-V146 HydrophobicContact CD1-CG2 3.55Å; I116-V146 HydrophobicContact CG1-CG2 4.2Å; A142-V146 PolarHBondContact O-N 3.27Å; T143-V146 PolarHBondContact O-N 3.41Å; Q144-V146 VanDerWaalsContact C-N 3.29Å; Q144-V146 PolarHBondContact O-N 2.95Å; V146-E148 VanDerWaalsContact C-N 3.35Å; V146-E148 PolarHBondContact O-N 2.9Å; V146-A149 PolarHBondContact O-N 2.77Å; V146-E150 HydrophobicContact CG1-CG 4.36Å; V146-E150 WeakPolarHBondContact O-CG 3.44Å; V146-E150 PolarHBondContact O-N 3.47Å
147M97.7Very high96.3Very high117 Ų11779.4 Ų79.458%0.57638%0.384SS*.Hα-helixtrans-59.3-43.8178-65.8-172.2-70.200112.2T143 Q144 E150 H151T143-M147 HydrophobicContact CG2-CE 4.49Å; T143-M147 PolarHBondContact O-N 3.22Å; T143-M147 VanDerWaalsContact O-N 3.08Å; Q144-M147 PolarHBondContact O-N 2.91Å; Q144-M147 VanDerWaalsContact O-N 3.1Å; M147-E150 PolarHBondContact O-N 3.32Å; M147-H151 PolarHBondContact O-N 3.38Å
148E98.1Very high96.7Very high99 Ų9979.1 Ų79.146%0.46339%0.385SS..Hα-helixtrans-62.6-40.9175.4-71171.9-179.900112.4Q144 V146 T152Q144-E148 HydrophobicContact CG-CG 4.4Å; Q144-E148 WeakPolarHBondContact CG-OE1 3.4Å; Q144-E148 PolarHBondContact NE2-OE1 3.36Å; Q144-E148 WeakPolarHBondContact O-CG 3.24Å; Q144-E148 PolarHBondContact O-N 2.87Å; V146-E148 VanDerWaalsContact C-N 3.35Å; V146-E148 PolarHBondContact O-N 2.9Å; E148-T152 VanDerWaalsContact O-CB 3.29Å; E148-T152 WeakPolarHBondContact O-CB 3.49Å; E148-T152 PolarHBondContact O-N 3.26Å; E148-T152 PolarHBondContact O-OG1 3.14Å
149A98.2Very high97Very high6 Ų678.8 Ų78.85%0.0539%0.385CS..Hα-helixtrans-69.2-36.9176.500000112.6V108 L109 R145 V146 T152 K153V108-A149 HydrophobicContact CG1-CB 4.2Å; L109-A149 HydrophobicContact CB-CB 3.99Å; L109-A149 HydrophobicContact CD1-CB 4Å; R145-A149 WeakPolarHBondContact O-CB 3.38Å; R145-A149 PolarHBondContact O-N 3.36Å; V146-A149 PolarHBondContact O-N 2.77Å; A149-T152 PolarHBondContact O-N 3.48Å; A149-K153 WeakPolarHBondContact O-CB 3.49Å; A149-K153 PolarHBondContact O-N 2.86Å
150E98.4Very high97.4Very high80 Ų8079.1 Ų79.137%0.37439%0.385SS..Hα-helixtrans-66-44.2175-71.1-157.1139.300112.2L109 K113 V146 M147 K153 T154L109-E150 HydrophobicContact CD1-CB 4.42Å; L109-E150 HydrophobicContact CD1-CG 3.31Å; L109-E150 HydrophobicContact CD2-CG 3.8Å; L109-E150 HydrophobicContact CG-CG 4.19Å; K113-E150 WeakPolarHBondContact CE-OE1 3.45Å; K113-E150 IonicContact NZ-OE1 3.32Å; K113-E150 PolarHBondContact NZ-OE1 3.37Å; V146-E150 HydrophobicContact CG1-CG 4.36Å; V146-E150 WeakPolarHBondContact O-CG 3.44Å; V146-E150 PolarHBondContact O-N 3.47Å; M147-E150 PolarHBondContact O-N 3.32Å; E150-K153 PolarHBondContact O-N 3.17Å; E150-T154 WeakPolarHBondContact O-CB 3.43Å; E150-T154 PolarHBondContact O-N 3.13Å; E150-T154 PolarHBondContact O-OG1 3Å
151H98.5Very high97.7Very high116 Ų11680.5 Ų80.554%0.53739%0.386SS..Hα-helixtrans-62.6-43.8174177.1-112.6000111.5M147 T154 R155M147-H151 PolarHBondContact O-N 3.38Å; H151-T154 PolarHBondContact O-N 2.78Å; H151-R155 PolarHBondContact O-N 3.14Å
152T98.4Very high97.9Very high77 Ų7778.7 Ų78.747%0.47238%0.378SS..Hα-helixtrans-62.8-45.8177.5-59.80000111.9A105 E148 A149 R155 S156A105-T152 HydrophobicContact CB-CG2 4.17Å; E148-T152 VanDerWaalsContact O-CB 3.29Å; E148-T152 WeakPolarHBondContact O-CB 3.49Å; E148-T152 PolarHBondContact O-N 3.26Å; E148-T152 PolarHBondContact O-OG1 3.14Å; A149-T152 PolarHBondContact O-N 3.48Å; T152-R155 PolarHBondContact O-N 2.9Å; T152-S156 PolarHBondContact O-N 3.11Å; T152-S156 PolarHBondContact O-OG 3.01Å
153K98.5Very high98Very high59 Ų5978.9 Ų78.926%0.25738%0.378SS..Hα-helixtrans-56.3-53172.7-179.5-167.6166.7-163.20110.4F102 A105 L109 A149 E150 R155 S156 E157F102-K153 HydrophobicContact CD2-CG 4.37Å; F102-K153 HydrophobicContact CE2-CG 3.97Å; A105-K153 HydrophobicContact CB-CB 4.31Å; L109-K153 HydrophobicContact CD2-CB 4.46Å; L109-K153 HydrophobicContact CD2-CD 3.66Å; A149-K153 WeakPolarHBondContact O-CB 3.49Å; A149-K153 PolarHBondContact O-N 2.86Å; E150-K153 PolarHBondContact O-N 3.17Å; K153-R155 VanDerWaalsContact C-N 3.29Å; K153-R155 PolarHBondContact O-N 2.88Å; K153-S156 WeakPolarHBondContact CA-OG 3.18Å; K153-S156 PolarHBondContact O-N 2.93Å; K153-S156 PolarHBondContact O-OG 3.26Å; K153-E157 PolarHBondContact O-N 3.28Å
154T98.5Very high98.2Very high90 Ų9077.8 Ų77.855%0.55238%0.375SS*.Hα-helixtrans-56.2-43.4-177.2-57.10000111.8E150 H151 E157 L158E150-T154 WeakPolarHBondContact O-CB 3.43Å; E150-T154 PolarHBondContact O-N 3.13Å; E150-T154 PolarHBondContact O-OG1 3Å; H151-T154 PolarHBondContact O-N 2.78Å; T154-E157 PolarHBondContact O-N 3.05Å; T154-L158 PolarHBondContact O-N 2.95Å
155R98.4Very high98.3Very high167 Ų16776.6 Ų76.663%0.6338%0.38SS*.Hα-helixtrans-63.3-45.1174.9-173.4178-123151.12.2112.5H151 T152 K153 E157 L158 L159H151-R155 PolarHBondContact O-N 3.14Å; T152-R155 PolarHBondContact O-N 2.9Å; K153-R155 VanDerWaalsContact C-N 3.29Å; K153-R155 PolarHBondContact O-N 2.88Å; R155-E157 VanDerWaalsContact C-N 3.35Å; R155-L158 PolarHBondContact O-N 3.22Å; R155-L159 WeakPolarHBondContact O-CG 3.35Å; R155-L159 PolarHBondContact O-N 3.4Å
156S98.4Very high98.3Very high15 Ų1573.8 Ų73.811%0.10537%0.372CS..Hα-helixtrans-66.8-34178.667.70000113.1F102 T152 K153 L159 H160F102-S156 WeakPolarHBondContact CA-OG 3.38Å; T152-S156 PolarHBondContact O-N 3.11Å; T152-S156 PolarHBondContact O-OG 3.01Å; K153-S156 WeakPolarHBondContact CA-OG 3.18Å; K153-S156 PolarHBondContact O-N 2.93Å; K153-S156 PolarHBondContact O-OG 3.26Å; S156-L159 PolarHBondContact O-N 2.82Å; S156-H160 WeakPolarHBondContact O-CB 3.25Å; S156-H160 PolarHBondContact O-N 2.95Å
157E98.5Very high98.4Very high55 Ų5576.9 Ų76.926%0.25738%0.383SS..Hα-helixtrans-66-41.5177.4-163.8-177.5126.400111.9F102 K153 T154 R155 H160 K161F102-E157 HydrophobicContact CD2-CB 3.64Å; F102-E157 HydrophobicContact CD2-CG 4.01Å; F102-E157 HydrophobicContact CE2-CB 3.52Å; F102-E157 HydrophobicContact CE2-CG 3.51Å; F102-E157 HydrophobicContact CZ-CB 4.49Å; F102-E157 HydrophobicContact CZ-CG 4.02Å; K153-E157 PolarHBondContact O-N 3.28Å; T154-E157 PolarHBondContact O-N 3.05Å; R155-E157 VanDerWaalsContact C-N 3.35Å; E157-H160 PolarHBondContact O-N 3.49Å; E157-K161 HydrophobicContact CG-CD 4.38Å; E157-K161 WeakPolarHBondContact O-CB 3.42Å; E157-K161 WeakPolarHBondContact O-CG 3.44Å; E157-K161 PolarHBondContact O-N 2.88Å; E157-K161 WeakPolarHBondContact OE1-CE 3.46Å; E157-K161 IonicContact OE1-NZ 2.62Å; E157-K161 PolarHBondContact OE1-NZ 2.99Å
158L98.5Very high98.4Very high98 Ų9875.2 Ų75.251%0.51338%0.379SS..Hα-helixtrans-61.7-47174.2-174.6157.4000110.8T154 R155 H160 K161 E162T154-L158 PolarHBondContact O-N 2.95Å; R155-L158 PolarHBondContact O-N 3.22Å; L158-H160 PolarHBondContact O-N 3.09Å; L158-K161 PolarHBondContact O-N 3.45Å; L158-E162 HydrophobicContact CD2-CG 4.2Å; L158-E162 WeakPolarHBondContact CD2-OE1 3.44Å; L158-E162 PolarHBondContact O-N 3.48Å
159L98.2Very high98.4Very high85 Ų8573.4 Ų73.445%0.44538%0.381SS..Hα-helixtrans-63.9-38177.4-68.9173.1000112.7R155 S156 T163R155-L159 WeakPolarHBondContact O-CG 3.35Å; R155-L159 PolarHBondContact O-N 3.4Å; S156-L159 PolarHBondContact O-N 2.82Å; L159-T163 WeakPolarHBondContact O-CB 3.28Å; L159-T163 WeakPolarHBondContact O-CG2 3.43Å; L159-T163 PolarHBondContact O-N 2.75Å; L159-T163 PolarHBondContact O-OG1 3.05Å
160H98.5Very high98.4Very high51 Ų5174 Ų7424%0.23639%0.386CS..Hα-helixtrans-61.4-48.4172.4169.568.1000111.6A98 T99 F102 S156 E157 L158 E162 T163 A164A98-H160 HydrophobicContact CB-CB 4.38Å; T99-H160 PolarHBondContact OG1-CE1 2.9Å; T99-H160 PolarHBondContact OG1-ND1 3.33Å; F102-H160 HydrophobicContact CB-CB 4.28Å; S156-H160 WeakPolarHBondContact O-CB 3.25Å; S156-H160 PolarHBondContact O-N 2.95Å; E157-H160 PolarHBondContact O-N 3.49Å; L158-H160 PolarHBondContact O-N 3.09Å; H160-E162 PolarHBondContact O-N 2.96Å; H160-T163 PolarHBondContact O-N 3.43Å; H160-T163 PolarHBondContact O-OG1 2.75Å; H160-T163 VanDerWaalsContact O-OG1 3.09Å; H160-A164 VanDerWaalsContact O-CB 3.31Å; H160-A164 WeakPolarHBondContact O-CB 3.29Å; H160-A164 PolarHBondContact O-N 2.87Å
161K98.4Very high98.4Very high124 Ų12471.6 Ų71.654%0.53938%0.375SS..Hα-helixtrans-60.3-44.7176.9-74.5165.9172171.50112.1E157 L158 A165E157-K161 HydrophobicContact CG-CD 4.38Å; E157-K161 WeakPolarHBondContact O-CB 3.42Å; E157-K161 WeakPolarHBondContact O-CG 3.44Å; E157-K161 PolarHBondContact O-N 2.88Å; E157-K161 WeakPolarHBondContact OE1-CE 3.46Å; E157-K161 IonicContact OE1-NZ 2.62Å; E157-K161 PolarHBondContact OE1-NZ 2.99Å; L158-K161 PolarHBondContact O-N 3.45Å; K161-A165 PolarHBondContact O-N 3.09Å; K161-A165 VanDerWaalsContact O-N 3.12Å
162E98.4Very high98.4Very high84 Ų8468.6 Ų68.639%0.39337%0.368SS..Hα-helixtrans-62-48.2175.8-83.3-164.4-160.100113.2L158 H160 A165 K166L158-E162 HydrophobicContact CD2-CG 4.2Å; L158-E162 WeakPolarHBondContact CD2-OE1 3.44Å; L158-E162 PolarHBondContact O-N 3.48Å; H160-E162 PolarHBondContact O-N 2.96Å; E162-A165 PolarHBondContact O-N 3.24Å; E162-K166 VanDerWaalsContact O-CG 3.25Å; E162-K166 WeakPolarHBondContact O-CG 3.45Å; E162-K166 PolarHBondContact O-N 2.99Å; E162-K166 WeakPolarHBondContact OE2-CE 3.42Å; E162-K166 IonicContact OE2-NZ 3.94Å; E162-K166 PolarHBondContact OE2-NZ 3.15Å
163T98.2Very high98.4Very high17 Ų1772.3 Ų72.310%0.10437%0.373CS..Hα-helixtrans-68.4-37.5-17749.10000111.6E94 A98 L159 H160 A165 K166 Y167E94-T163 HydrophobicContact CB-CG2 4.27Å; A98-T163 HydrophobicContact CB-CG2 4.27Å; A98-T163 WeakPolarHBondContact CB-OG1 3.22Å; L159-T163 WeakPolarHBondContact O-CB 3.28Å; L159-T163 WeakPolarHBondContact O-CG2 3.43Å; L159-T163 PolarHBondContact O-N 2.75Å; L159-T163 PolarHBondContact O-OG1 3.05Å; H160-T163 PolarHBondContact O-N 3.43Å; H160-T163 PolarHBondContact O-OG1 2.75Å; H160-T163 VanDerWaalsContact O-OG1 3.09Å; T163-A165 VanDerWaalsContact C-N 3.34Å; T163-A165 PolarHBondContact O-N 3.23Å; T163-K166 PolarHBondContact O-N 3.32Å; T163-Y167 WeakPolarHBondContact O-CB 3.4Å; T163-Y167 PolarHBondContact O-N 3.48Å
164A98.5Very high98.4Very high34 Ų3470.6 Ų70.628%0.28137%0.366SS..Hα-helixtrans-60.4-40.1170.900000112.7H160 T168H160-A164 VanDerWaalsContact O-CB 3.31Å; H160-A164 WeakPolarHBondContact O-CB 3.29Å; H160-A164 PolarHBondContact O-N 2.87Å; A164-T168 WeakPolarHBondContact O-CB 3.29Å; A164-T168 PolarHBondContact O-N 2.93Å; A164-T168 PolarHBondContact O-OG1 3.23Å
165A98.5Very high98.4Very high61 Ų6172 Ų7250%0.50436%0.364SS..Hα-helixtrans-66.4-46.3174.300000112.1K161 E162 T163 Y167 T168 A169K161-A165 PolarHBondContact O-N 3.09Å; K161-A165 VanDerWaalsContact O-N 3.12Å; E162-A165 PolarHBondContact O-N 3.24Å; T163-A165 VanDerWaalsContact C-N 3.34Å; T163-A165 PolarHBondContact O-N 3.23Å; A165-Y167 PolarHBondContact O-N 3.48Å; A165-T168 PolarHBondContact O-N 3.11Å; A165-A169 PolarHBondContact O-N 2.62Å
166K98.2Very high98.4Very high103 Ų10369.7 Ų69.745%0.44836%0.361SS..Hα-helixtrans-57.8-45.4175.9-69.3162.6-168.1169.30111.4E162 T163 A169 A170E162-K166 VanDerWaalsContact O-CG 3.25Å; E162-K166 WeakPolarHBondContact O-CG 3.45Å; E162-K166 PolarHBondContact O-N 2.99Å; E162-K166 WeakPolarHBondContact OE2-CE 3.42Å; E162-K166 IonicContact OE2-NZ 3.94Å; E162-K166 PolarHBondContact OE2-NZ 3.15Å; T163-K166 PolarHBondContact O-N 3.32Å; K166-A169 PolarHBondContact O-N 2.81Å; K166-A170 WeakPolarHBondContact O-CB 3.47Å; K166-A170 PolarHBondContact O-N 3.03Å
167Y98.5Very high98.3Very high76 Ų7670.5 Ų70.530%0.29836%0.364SS..Hα-helixtrans-60.4-48174.4170.3-116.1000112.5Q92 T163 A165 A169 A170 I171Q92-Y167 HydrophobicContact CB-CD2 3.76Å; Q92-Y167 HydrophobicContact CB-CE2 3.55Å; Q92-Y167 HydrophobicContact CG-CD2 4.35Å; Q92-Y167 HydrophobicContact CG-CE2 3.79Å; T163-Y167 WeakPolarHBondContact O-CB 3.4Å; T163-Y167 PolarHBondContact O-N 3.48Å; A165-Y167 PolarHBondContact O-N 3.48Å; Y167-A169 VanDerWaalsContact C-N 3.34Å; Y167-A169 PolarHBondContact O-N 2.88Å; Y167-A170 PolarHBondContact O-N 2.99Å; Y167-I171 HydrophobicContact CD2-CG1 3.78Å; Y167-I171 HydrophobicContact CE1-CG1 4.42Å; Y167-I171 HydrophobicContact CE2-CD1 3.72Å; Y167-I171 HydrophobicContact CE2-CG1 3.33Å; Y167-I171 HydrophobicContact CG-CG1 4.48Å; Y167-I171 WeakPolarHBondContact O-CB 3.5Å; Y167-I171 WeakPolarHBondContact O-CG1 3.38Å; Y167-I171 PolarHBondContact O-N 3.08Å
168T98.4Very high98.3Very high82 Ų8271.6 Ų71.650%0.50337%0.369SS..Hα-helixtrans-61.6-41.2-179.8-59.60000111.9A164 A165 S172A164-T168 WeakPolarHBondContact O-CB 3.29Å; A164-T168 PolarHBondContact O-N 2.93Å; A164-T168 PolarHBondContact O-OG1 3.23Å; A165-T168 PolarHBondContact O-N 3.11Å; T168-S172 VanDerWaalsContact O-CB 3.32Å; T168-S172 WeakPolarHBondContact O-CB 3.21Å; T168-S172 PolarHBondContact O-N 2.78Å; T168-S172 PolarHBondContact O-OG 3.4Å
169A98.4Very high98.3Very high61 Ų6175.5 Ų75.550%0.50438%0.382SS..Hα-helixtrans-65.1-45.3174.500000112.2A165 K166 Y167 S172 R173A165-A169 PolarHBondContact O-N 2.62Å; K166-A169 PolarHBondContact O-N 2.81Å; Y167-A169 VanDerWaalsContact C-N 3.34Å; Y167-A169 PolarHBondContact O-N 2.88Å; A169-S172 PolarHBondContact O-N 3.42Å; A169-R173 PolarHBondContact O-N 2.88Å
170A98.1Very high98.3Very high18 Ų1879.6 Ų79.615%0.14940%0.396CS..Hα-helixtrans-63.9-45.1179.500000112.6A88 A91 K166 Y167 S172 R173 M174A88-A170 HydrophobicContact CB-CB 4.13Å; A91-A170 HydrophobicContact CB-CB 4.49Å; K166-A170 WeakPolarHBondContact O-CB 3.47Å; K166-A170 PolarHBondContact O-N 3.03Å; Y167-A170 PolarHBondContact O-N 2.99Å; A170-S172 VanDerWaalsContact C-N 3.32Å; A170-S172 PolarHBondContact O-N 2.89Å; A170-R173 PolarHBondContact O-N 2.66Å; A170-M174 WeakPolarHBondContact O-CB 3.42Å; A170-M174 PolarHBondContact O-N 2.9Å
171I98.3Very high98.2Very high30 Ų3079 Ų7915%0.15439%0.394CS..Hα-helixtrans-60.4-41.4173.8-73.5-73.8000111.2A88 Y167 M174 K175A88-I171 HydrophobicContact CB-CD1 3.87Å; A88-I171 HydrophobicContact CB-CG1 4.21Å; Y167-I171 HydrophobicContact CD2-CG1 3.78Å; Y167-I171 HydrophobicContact CE1-CG1 4.42Å; Y167-I171 HydrophobicContact CE2-CD1 3.72Å; Y167-I171 HydrophobicContact CE2-CG1 3.33Å; Y167-I171 HydrophobicContact CG-CG1 4.48Å; Y167-I171 WeakPolarHBondContact O-CB 3.5Å; Y167-I171 WeakPolarHBondContact O-CG1 3.38Å; Y167-I171 PolarHBondContact O-N 3.08Å; I171-M174 PolarHBondContact O-N 3.32Å; I171-K175 HydrophobicContact CG2-CD 3.87Å; I171-K175 HydrophobicContact CG2-CG 4.45Å; I171-K175 WeakPolarHBondContact O-CB 3.44Å; I171-K175 WeakPolarHBondContact O-CG 3.24Å; I171-K175 PolarHBondContact O-N 2.78Å
172S98.5Very high98.2Very high54 Ų5480.4 Ų80.438%0.37840%0.4SS..Hα-helixtrans-64.2-46.1178.5-62.50000111.7T168 A169 A170 M174 K175 Q176T168-S172 VanDerWaalsContact O-CB 3.32Å; T168-S172 WeakPolarHBondContact O-CB 3.21Å; T168-S172 PolarHBondContact O-N 2.78Å; T168-S172 PolarHBondContact O-OG 3.4Å; A169-S172 PolarHBondContact O-N 3.42Å; A170-S172 VanDerWaalsContact C-N 3.32Å; A170-S172 PolarHBondContact O-N 2.89Å; S172-M174 PolarHBondContact O-N 3.38Å; S172-K175 PolarHBondContact O-N 3.04Å; S172-Q176 WeakPolarHBondContact O-CG 3.38Å; S172-Q176 PolarHBondContact O-N 3.09Å
173R98.1Very high98.1Very high155 Ų15586.9 Ų86.959%0.58542%0.421SS*.Hα-helixtrans-60.3-44.7174-178.1179.9174.991.8-2.9112A169 A170 Q176 L177A169-R173 PolarHBondContact O-N 2.88Å; A170-R173 PolarHBondContact O-N 2.66Å; R173-Q176 PolarHBondContact O-N 2.95Å; R173-L177 HydrophobicContact CG-CD1 4.14Å; R173-L177 WeakPolarHBondContact O-CG 3.33Å; R173-L177 PolarHBondContact O-N 3.33Å; R173-L177 VanDerWaalsContact O-N 3.08Å
174M98.3Very high98.1Very high22 Ų2287.2 Ų87.211%0.10842%0.423CS..Hα-helixtrans-59.6-49.3176.8-174-158.676.200111.2Y81 A84 R85 A88 A170 I171 S172 Q176 L177 E178Y81-M174 HydrophobicContact CD2-CG 4.21Å; Y81-M174 HydrophobicContact CE2-CG 3.78Å; A84-M174 HydrophobicContact CB-CB 4.18Å; R85-M174 HydrophobicContact CB-CG 3.97Å; R85-M174 HydrophobicContact CB-SD 3.74Å; R85-M174 HydrophobicContact CG-SD 3.76Å; A88-M174 HydrophobicContact CB-CB 4.5Å; A88-M174 HydrophobicContact CB-SD 4.27Å; A170-M174 WeakPolarHBondContact O-CB 3.42Å; A170-M174 PolarHBondContact O-N 2.9Å; I171-M174 PolarHBondContact O-N 3.32Å; S172-M174 PolarHBondContact O-N 3.38Å; M174-Q176 VanDerWaalsContact C-N 3.32Å; M174-Q176 PolarHBondContact O-N 3.38Å; M174-L177 PolarHBondContact O-N 2.89Å; M174-E178 PolarHBondContact O-N 3.35Å
175K98.2Very high98.1Very high119 Ų11986.4 Ų86.452%0.51741%0.414SS..Hα-helixtrans-62.2-34.8178.3-74.5173.6176.7174.60112.9I171 S172 K179I171-K175 HydrophobicContact CG2-CD 3.87Å; I171-K175 HydrophobicContact CG2-CG 4.45Å; I171-K175 WeakPolarHBondContact O-CB 3.44Å; I171-K175 WeakPolarHBondContact O-CG 3.24Å; I171-K175 PolarHBondContact O-N 2.78Å; S172-K175 PolarHBondContact O-N 3.04Å; K175-K179 WeakPolarHBondContact O-CG 3.39Å; K175-K179 PolarHBondContact O-N 3.5Å
176Q98.4Very high98Very high120 Ų12087.4 Ų87.456%0.56142%0.417SS*.Hα-helixtrans-65.6-43.6173.5-73.2172.76.600112S172 R173 M174 K180S172-Q176 WeakPolarHBondContact O-CG 3.38Å; S172-Q176 PolarHBondContact O-N 3.09Å; R173-Q176 PolarHBondContact O-N 2.95Å; M174-Q176 VanDerWaalsContact C-N 3.32Å; M174-Q176 PolarHBondContact O-N 3.38Å; Q176-K180 WeakPolarHBondContact O-CG 3.49Å; Q176-K180 PolarHBondContact O-N 2.94Å
177L97.9Very high98Very high31 Ų3189.3 Ų89.316%0.16243%0.426CS..Hα-helixtrans-68-37.3177-70.3165.6000111.8P80 Y81 A84 R173 M174 K179 K180 L181P80-L177 HydrophobicContact CB-CD1 4.4Å; P80-L177 HydrophobicContact CB-CD2 4.45Å; P80-L177 WeakPolarHBondContact O-CD1 3.39Å; Y81-L177 HydrophobicContact CD2-CB 4.23Å; A84-L177 HydrophobicContact CB-CD1 3.73Å; R173-L177 HydrophobicContact CG-CD1 4.14Å; R173-L177 WeakPolarHBondContact O-CG 3.33Å; R173-L177 PolarHBondContact O-N 3.33Å; R173-L177 VanDerWaalsContact O-N 3.08Å; M174-L177 PolarHBondContact O-N 2.89Å; L177-K179 PolarHBondContact O-N 3.26Å; L177-K180 PolarHBondContact O-N 3.08Å; L177-L181 HydrophobicContact CD2-CD1 4.35Å; L177-L181 WeakPolarHBondContact O-CB 3.3Å; L177-L181 PolarHBondContact O-N 3.43Å
178E97.6Very high98Very high79 Ų7985.7 Ų85.737%0.36941%0.412SS..Hα-helixtrans-59.5-45.4175.9-157.4167.9129.900112.2Y81 M174 K182 I185Y81-E178 HydrophobicContact CD2-CB 4.06Å; Y81-E178 HydrophobicContact CD2-CG 4.44Å; Y81-E178 HydrophobicContact CE2-CB 3.58Å; Y81-E178 HydrophobicContact CE2-CG 3.67Å; Y81-E178 VanDerWaalsContact CE2-OE2 3.25Å; Y81-E178 WeakPolarHBondContact CE2-OE2 3.41Å; Y81-E178 PolarHBondContact OH-OE2 2.94Å; M174-E178 PolarHBondContact O-N 3.35Å; E178-K182 WeakPolarHBondContact O-CA 3.41Å; E178-K182 PolarHBondContact O-N 3.01Å; E178-K182 VanDerWaalsContact O-N 3.13Å; E178-I185 HydrophobicContact CG-CD1 4.34Å
179K98.1Very high98Very high180 Ų18086.5 Ų86.578%0.78341%0.408SS*.Hα-helixtrans-61.6-42.5175.3-72.2176.7179.1-172.90112K175 L177K175-K179 WeakPolarHBondContact O-CG 3.39Å; K175-K179 PolarHBondContact O-N 3.5Å; L177-K179 PolarHBondContact O-N 3.26Å
180K97.9Very high97.9Very high171 Ų17186.9 Ų86.974%0.74341%0.405SS*.Hα-helixtrans-72.6-37.5-178.3-72.8179.1176.7-175.40113.5Q176 L177Q176-K180 WeakPolarHBondContact O-CG 3.49Å; Q176-K180 PolarHBondContact O-N 2.94Å; L177-K180 PolarHBondContact O-N 3.08Å
181L97.3Very high97.9Very high37 Ų3787 Ų8719%0.19440%0.402CS..Hα-helixtrans-110.711.8-168.2-60.3172.4000113.9L177 R183 T184 I185L177-L181 HydrophobicContact CD2-CD1 4.35Å; L177-L181 WeakPolarHBondContact O-CB 3.3Å; L177-L181 PolarHBondContact O-N 3.43Å; L181-R183 PolarHBondContact O-N 2.89Å; L181-R183 VanDerWaalsContact O-N 3.11Å; L181-T184 WeakPolarHBondContact O-CA 3.25Å; L181-T184 VanDerWaalsContact O-CB 3.31Å; L181-T184 WeakPolarHBondContact O-CB 3.38Å; L181-T184 PolarHBondContact O-N 2.9Å; L181-I185 HydrophobicContact CB-CD1 3.79Å; L181-I185 HydrophobicContact CB-CG1 3.91Å; L181-I185 WeakPolarHBondContact O-CG1 3.34Å; L181-I185 PolarHBondContact O-N 3.37Å
182K97.9Very high97.9Very high154 Ų15487.1 Ų87.167%0.6740%0.401SS*.Hα-helixtrans-41.4-53.5-170.2-169176.4-177.9178.30114.9E178 S186E178-K182 WeakPolarHBondContact O-CA 3.41Å; E178-K182 PolarHBondContact O-N 3.01Å; E178-K182 VanDerWaalsContact O-N 3.13Å; K182-S186 PolarHBondContact O-N 2.95Å; K182-S186 VanDerWaalsContact O-N 3.1Å; K182-S186 PolarHBondContact O-OG 3.33Å
183R97.4Very high97.8Very high221 Ų22189.4 Ų89.483%0.83441%0.406SS*.Hα-helixtrans-65.8-41.3-179.8-68.7-179.2177.8133.9-3.8112.5L181 S186 K187L181-R183 PolarHBondContact O-N 2.89Å; L181-R183 VanDerWaalsContact O-N 3.11Å; R183-S186 PolarHBondContact O-N 3.44Å; R183-K187 PolarHBondContact O-N 3.45Å; R183-K187 VanDerWaalsContact O-N 3.09Å
184T97.8Very high97.8Very high24 Ų2485.2 Ų85.215%0.14739%0.394CS..Hα-helixtrans-64.3-45.9178.7-51.50000110.9P74 E77 L181 S186 K187 S188P74-T184 HydrophobicContact CB-CG2 3.77Å; P74-T184 WeakPolarHBondContact O-CG2 3.47Å; E77-T184 HydrophobicContact CB-CG2 3.51Å; E77-T184 WeakPolarHBondContact OE2-CG2 3.19Å; L181-T184 WeakPolarHBondContact O-CA 3.25Å; L181-T184 VanDerWaalsContact O-CB 3.31Å; L181-T184 WeakPolarHBondContact O-CB 3.38Å; L181-T184 PolarHBondContact O-N 2.9Å; T184-S186 PolarHBondContact O-N 2.96Å; T184-K187 PolarHBondContact O-N 3.38Å; T184-S188 WeakPolarHBondContact O-CB 3.43Å; T184-S188 PolarHBondContact O-N 2.92Å; T184-S188 PolarHBondContact O-OG 3.08Å
185I97.6Very high97.8Very high17 Ų1786.5 Ų86.59%0.08740%0.399CS..Hα-helixtrans-57.4-51.5174.8-64.1162.1000110Y81 W82 E178 L181 K187 S188 K189Y81-I185 HydrophobicContact CD1-CB 4.4Å; Y81-I185 HydrophobicContact CD1-CD1 3.57Å; Y81-I185 HydrophobicContact CD1-CG1 3.65Å; Y81-I185 HydrophobicContact CD1-CG2 3.8Å; Y81-I185 HydrophobicContact CD2-CD1 3.66Å; Y81-I185 HydrophobicContact CE1-CD1 3.98Å; Y81-I185 HydrophobicContact CE1-CG1 4.25Å; Y81-I185 HydrophobicContact CE1-CG2 3.64Å; Y81-I185 HydrophobicContact CE2-CD1 4.06Å; Y81-I185 HydrophobicContact CG-CD1 3.37Å; Y81-I185 HydrophobicContact CG-CG1 3.83Å; W82-I185 HydrophobicContact CZ2-CG2 3.92Å; E178-I185 HydrophobicContact CG-CD1 4.34Å; L181-I185 HydrophobicContact CB-CD1 3.79Å; L181-I185 HydrophobicContact CB-CG1 3.91Å; L181-I185 WeakPolarHBondContact O-CG1 3.34Å; L181-I185 PolarHBondContact O-N 3.37Å; I185-K187 VanDerWaalsContact C-N 3.32Å; I185-K187 PolarHBondContact O-N 2.94Å; I185-S188 WeakPolarHBondContact CA-OG 3.48Å; I185-S188 PolarHBondContact O-N 3.26Å; I185-S188 VanDerWaalsContact O-N 3.15Å; I185-S188 PolarHBondContact O-OG 3.08Å; I185-K189 PolarHBondContact O-N 2.96Å
186S98Very high97.7Very high82 Ų8283.8 Ų83.857%0.57340%0.399SS*.Hα-helixtrans-57.1-40.7178.4-620000113.4K182 R183 T184K182-S186 PolarHBondContact O-N 2.95Å; K182-S186 VanDerWaalsContact O-N 3.1Å; K182-S186 PolarHBondContact O-OG 3.33Å; R183-S186 PolarHBondContact O-N 3.44Å; T184-S186 PolarHBondContact O-N 2.96Å
187K97.9Very high97.7Very high143 Ų14384.6 Ų84.662%0.62240%0.401SS*.Hα-helixtrans-69.2-38.5175.9-73.8-175174.3-169.50113.1P74 R183 T184 I185P74-K187 HydrophobicContact CB-CB 4.07Å; P74-K187 HydrophobicContact CG-CB 4.43Å; P74-K187 HydrophobicContact CG-CD 4.23Å; R183-K187 PolarHBondContact O-N 3.45Å; R183-K187 VanDerWaalsContact O-N 3.09Å; T184-K187 PolarHBondContact O-N 3.38Å; I185-K187 VanDerWaalsContact C-N 3.32Å; I185-K187 PolarHBondContact O-N 2.94Å
188S98Very high97.7Very high0 Ų083.8 Ų83.80%040%0.395CS..Hα-helixtrans-74.7-23-178.5740000114.5P74 S78 W82 T184 I185 P190 Y191 F192P74-S188 WeakPolarHBondContact O-CB 3.18Å; S78-S188 WeakPolarHBondContact OG-CB 3.44Å; S78-S188 PolarHBondContact OG-OG 3.12Å; S78-S188 VanDerWaalsContact OG-OG 3.08Å; W82-S188 PolarHBondContact NE1-OG 2.63Å; W82-S188 VanDerWaalsContact NE1-OG 3.16Å; T184-S188 WeakPolarHBondContact O-CB 3.43Å; T184-S188 PolarHBondContact O-N 2.92Å; T184-S188 PolarHBondContact O-OG 3.08Å; I185-S188 WeakPolarHBondContact CA-OG 3.48Å; I185-S188 PolarHBondContact O-N 3.26Å; I185-S188 VanDerWaalsContact O-N 3.15Å; I185-S188 PolarHBondContact O-OG 3.08Å; S188-P190 VanDerWaalsContact C-CD 3.45Å; S188-P190 VanDerWaalsContact O-N 3.16Å; S188-Y191 WeakPolarHBondContact O-CB 3.46Å; S188-Y191 PolarHBondContact O-N 3.32Å; S188-F192 PolarHBondContact O-N 2.82Å
189K97.4Very high97.6Very high99 Ų9986.6 Ų86.643%0.4340%0.404SS..Hα-helixtrans-46.9-47-168.2179.2-175.6170.7-169.60114.2W82 I185 Y191 F192 E193W82-K189 HydrophobicContact CH2-CG 4.46Å; W82-K189 HydrophobicContact CZ2-CB 4.34Å; I185-K189 PolarHBondContact O-N 2.96Å; K189-Y191 VanDerWaalsContact C-N 3.3Å; K189-Y191 PolarHBondContact O-N 3.29Å; K189-F192 PolarHBondContact O-N 2.68Å; K189-F192 VanDerWaalsContact O-N 3.15Å; K189-E193 WeakPolarHBondContact CE-OE1 3.39Å; K189-E193 WeakPolarHBondContact CE-OE2 3.29Å; K189-E193 HydrophobicContact CG-CG 4.27Å; K189-E193 WeakPolarHBondContact CG-OE2 3.45Å; K189-E193 IonicContact NZ-OE1 2.76Å; K189-E193 PolarHBondContact NZ-OE1 2.98Å; K189-E193 PolarHBondContact O-N 2.72Å
190P98.1Very high97.6Very high68 Ų6883.6 Ų83.644%0.44240%0.395SS..Hα-helixtrans-61.5-33.8-178.6-23.835.5000114.2S188 M194S188-P190 VanDerWaalsContact C-CD 3.45Å; S188-P190 VanDerWaalsContact O-N 3.16Å; P190-M194 WeakPolarHBondContact O-CB 3.35Å; P190-M194 PolarHBondContact O-N 2.96Å
191Y98.2Very high97.6Very high22 Ų2278.8 Ų78.89%0.08638%0.375CS..Hα-helixtrans-66.2-46175.1168-87.4000111.2L64 L67 V68 V75 S188 K189 M194 K195L64-Y191 HydrophobicContact CB-CD2 4.47Å; L64-Y191 HydrophobicContact CB-CE2 3.9Å; L64-Y191 HydrophobicContact CD2-CD2 3.91Å; L64-Y191 HydrophobicContact CD2-CE2 3.87Å; L64-Y191 HydrophobicContact CG-CE2 4.39Å; L67-Y191 HydrophobicContact CB-CD2 4.08Å; V68-Y191 HydrophobicContact CG2-CD2 3.91Å; V68-Y191 HydrophobicContact CG2-CE2 3.51Å; V75-Y191 HydrophobicContact CG1-CD1 3.48Å; V75-Y191 VanDerWaalsContact CG1-CD1 3.48Å; V75-Y191 HydrophobicContact CG1-CD2 4.2Å; V75-Y191 HydrophobicContact CG1-CE1 3.49Å; V75-Y191 VanDerWaalsContact CG1-CE1 3.49Å; V75-Y191 HydrophobicContact CG1-CE2 4.18Å; V75-Y191 HydrophobicContact CG1-CG 3.87Å; V75-Y191 HydrophobicContact CG2-CD1 4.48Å; V75-Y191 HydrophobicContact CG2-CG 4.18Å; S188-Y191 WeakPolarHBondContact O-CB 3.46Å; S188-Y191 PolarHBondContact O-N 3.32Å; K189-Y191 VanDerWaalsContact C-N 3.3Å; K189-Y191 PolarHBondContact O-N 3.29Å; Y191-M194 PolarHBondContact O-N 2.88Å; Y191-K195 HydrophobicContact CE1-CD 3.91Å; Y191-K195 WeakPolarHBondContact O-CB 3.31Å; Y191-K195 PolarHBondContact O-N 3.19Å
192F97.7Very high97.7Very high31 Ų3178 Ų7814%0.13637%0.371CS..Hα-helixtrans-71.2-31.4-178.3-74.6-82.6000112.8V75 S78 K79 W82 S188 K189 A196V75-F192 HydrophobicContact CG1-CE2 4.29Å; V75-F192 HydrophobicContact CG1-CZ 4.48Å; S78-F192 WeakPolarHBondContact OG-CE2 3.44Å; K79-F192 HydrophobicContact CG-CZ 4.06Å; W82-F192 HydrophobicContact CB-CD1 4.01Å; W82-F192 HydrophobicContact CB-CE1 3.97Å; W82-F192 HydrophobicContact CB-CZ 4.5Å; W82-F192 AromaticContact CD1-CD1 3.81Å; W82-F192 AromaticContact CD1-CD2 3.4Å; W82-F192 VanDerWaalsContact CD1-CD2 3.4Å; W82-F192 AromaticContact CD1-CE1 3.76Å; W82-F192 AromaticContact CD1-CE2 3.35Å; W82-F192 AromaticContact CD1-CG 3.64Å; W82-F192 AromaticContact CD1-CZ 3.54Å; W82-F192 HydrophobicContact CD2-CB 4.08Å; W82-F192 HydrophobicContact CD2-CD1 4.24Å; W82-F192 HydrophobicContact CD2-CD2 4.28Å; W82-F192 AromaticContact CD2-CG 3.93Å; W82-F192 HydrophobicContact CD2-CG 3.93Å; W82-F192 AromaticContact CE2-CD2 3.79Å; W82-F192 AromaticContact CE2-CG 3.84Å; W82-F192 HydrophobicContact CE3-CB 4.44Å; W82-F192 HydrophobicContact CG-CB 4.47Å; W82-F192 AromaticContact CG-CD1 3.76Å; W82-F192 HydrophobicContact CG-CD1 3.76Å; W82-F192 HydrophobicContact CG-CD2 4.06Å; W82-F192 AromaticContact CG-CE1 3.94Å; W82-F192 HydrophobicContact CG-CE1 3.94Å; W82-F192 HydrophobicContact CG-CE2 4.24Å; W82-F192 AromaticContact CG-CG 3.83Å; W82-F192 HydrophobicContact CG-CG 3.83Å; W82-F192 HydrophobicContact CG-CZ 4.19Å; W82-F192 HydrophobicContact CZ2-CB 4.2Å; W82-F192 HydrophobicContact CZ2-CD2 4.49Å; W82-F192 AromaticContact NE1-CD2 3.2Å; W82-F192 AromaticContact NE1-CE2 3.52Å; W82-F192 AromaticContact NE1-CG 3.64Å; S188-F192 PolarHBondContact O-N 2.82Å; K189-F192 PolarHBondContact O-N 2.68Å; K189-F192 VanDerWaalsContact O-N 3.15Å; F192-A196 WeakPolarHBondContact O-CB 3.32Å; F192-A196 PolarHBondContact O-N 2.99Å
193E96.9Very high97.7Very high102 Ų10275.7 Ų75.748%0.47736%0.363SS..Hα-helixtrans-71.1-45.1173-70.9178.614600112.1K189 K195 A196 K197K189-E193 WeakPolarHBondContact CE-OE1 3.39Å; K189-E193 WeakPolarHBondContact CE-OE2 3.29Å; K189-E193 HydrophobicContact CG-CG 4.27Å; K189-E193 WeakPolarHBondContact CG-OE2 3.45Å; K189-E193 IonicContact NZ-OE1 2.76Å; K189-E193 PolarHBondContact NZ-OE1 2.98Å; K189-E193 PolarHBondContact O-N 2.72Å; E193-K195 VanDerWaalsContact C-N 3.31Å; E193-K195 PolarHBondContact O-N 2.74Å; E193-A196 PolarHBondContact O-N 2.97Å; E193-K197 PolarHBondContact O-N 3.19Å; E193-K197 VanDerWaalsContact O-N 3.08Å
194M97.8Very high97.7Very high67 Ų6769.8 Ų69.833%0.3335%0.348SS..Hα-helixtrans-63-38.9173.6-174.9172.2-7100111.7K63 L64 L67 P190 Y191 K197 Y198K63-M194 HydrophobicContact CB-SD 3.94Å; L64-M194 HydrophobicContact CD2-CB 4.29Å; L64-M194 HydrophobicContact CD2-CG 4.2Å; L67-M194 HydrophobicContact CD1-CB 3.95Å; L67-M194 HydrophobicContact CD1-CE 3.98Å; L67-M194 HydrophobicContact CD1-CG 4.3Å; L67-M194 HydrophobicContact CD1-SD 3.51Å; L67-M194 VanDerWaalsContact CD1-SD 3.51Å; L67-M194 HydrophobicContact CG-SD 4.32Å; P190-M194 WeakPolarHBondContact O-CB 3.35Å; P190-M194 PolarHBondContact O-N 2.96Å; Y191-M194 PolarHBondContact O-N 2.88Å; M194-K197 PolarHBondContact O-N 2.65Å; M194-Y198 HydrophobicContact CG-CD2 3.83Å; M194-Y198 HydrophobicContact CG-CE2 3.62Å; M194-Y198 WeakPolarHBondContact O-CD2 3.48Å; M194-Y198 PolarHBondContact O-N 2.91Å; M194-Y198 VanDerWaalsContact O-N 3.13Å; M194-Y198 HydrophobicContact SD-CE2 4.05Å
195K97.4Very high97.7Very high50 Ų5070.2 Ų70.222%0.21735%0.349CS..Hα-helixtrans-62.3-44.2175.3-172.9170-174.8171.80111.4L64 Y191 E193 K197 Y198 Y199L64-K195 HydrophobicContact CD1-CB 4.13Å; L64-K195 HydrophobicContact CD1-CD 4.46Å; L64-K195 HydrophobicContact CD1-CG 3.96Å; L64-K195 HydrophobicContact CD2-CB 3.8Å; Y191-K195 HydrophobicContact CE1-CD 3.91Å; Y191-K195 WeakPolarHBondContact O-CB 3.31Å; Y191-K195 PolarHBondContact O-N 3.19Å; E193-K195 VanDerWaalsContact C-N 3.31Å; E193-K195 PolarHBondContact O-N 2.74Å; K195-K197 VanDerWaalsContact C-N 3.34Å; K195-K197 PolarHBondContact O-N 3.46Å; K195-Y198 PolarHBondContact O-N 3.48Å; K195-Y199 HydrophobicContact CD-CE2 4.06Å; K195-Y199 WeakPolarHBondContact CE-OH 3.49Å; K195-Y199 HydrophobicContact CG-CD2 3.68Å; K195-Y199 HydrophobicContact CG-CE2 3.55Å; K195-Y199 WeakPolarHBondContact O-CB 3.43Å; K195-Y199 WeakPolarHBondContact O-CD2 3.43Å; K195-Y199 PolarHBondContact O-N 2.74Å
196A96.4Very high97.8Very high62 Ų6273 Ų7351%0.51236%0.361SS..Hα-helixtrans-60.4-41.6176.200000112.3F192 E193 Y199 L200F192-A196 WeakPolarHBondContact O-CB 3.32Å; F192-A196 PolarHBondContact O-N 2.99Å; E193-A196 PolarHBondContact O-N 2.97Å; A196-Y199 PolarHBondContact O-N 3.47Å; A196-L200 PolarHBondContact O-N 2.9Å; A196-L200 VanDerWaalsContact O-N 3.09Å
197K97.9Very high97.8Very high137 Ų13774 Ų7460%0.59636%0.355SS*.Hα-helixtrans-58.1-53.4175.4-174.4-167173.2-166.60111.7E193 M194 K195 Y199 L200 Q201E193-K197 PolarHBondContact O-N 3.19Å; E193-K197 VanDerWaalsContact O-N 3.08Å; M194-K197 PolarHBondContact O-N 2.65Å; K195-K197 VanDerWaalsContact C-N 3.34Å; K195-K197 PolarHBondContact O-N 3.46Å; K197-Y199 PolarHBondContact O-N 2.96Å; K197-L200 PolarHBondContact O-N 3.35Å; K197-Q201 PolarHBondContact O-N 3.5Å; K197-Q201 VanDerWaalsContact O-N 3.09Å
198Y98.3Very high97.8Very high14 Ų1469.2 Ų69.26%0.05534%0.337CS..Hα-helixtrans-67.5-34.9-178.7-76.1-64.9000112.9V56 E59 A60 K63 M194 K195 Q201 L202V56-Y198 HydrophobicContact CG1-CD1 4.23Å; E59-Y198 HydrophobicContact CG-CE1 4.43Å; E59-Y198 WeakPolarHBondContact OE1-CE1 3.35Å; E59-Y198 PolarHBondContact OE1-OH 3.09Å; A60-Y198 HydrophobicContact CB-CD1 3.6Å; A60-Y198 HydrophobicContact CB-CD2 3.91Å; A60-Y198 HydrophobicContact CB-CE1 4.2Å; A60-Y198 HydrophobicContact CB-CE2 4.47Å; A60-Y198 HydrophobicContact CB-CG 3.44Å; A60-Y198 VanDerWaalsContact CB-CG 3.44Å; K63-Y198 HydrophobicContact CB-CE2 4.02Å; M194-Y198 HydrophobicContact CG-CD2 3.83Å; M194-Y198 HydrophobicContact CG-CE2 3.62Å; M194-Y198 WeakPolarHBondContact O-CD2 3.48Å; M194-Y198 PolarHBondContact O-N 2.91Å; M194-Y198 VanDerWaalsContact O-N 3.13Å; M194-Y198 HydrophobicContact SD-CE2 4.05Å; K195-Y198 PolarHBondContact O-N 3.48Å; Y198-Q201 PolarHBondContact O-N 2.97Å; Y198-L202 WeakPolarHBondContact O-CB 3.42Å; Y198-L202 VanDerWaalsContact O-CG 3.26Å; Y198-L202 WeakPolarHBondContact O-CG 3.44Å; Y198-L202 PolarHBondContact O-N 3.41Å
199Y96.5Very high97.8Very high138 Ų13870.2 Ų70.254%0.54134%0.343SS..Hα-helixtrans-62-46175.3-90.7-120.5000111.5K195 A196 K197 Q201 L202 E203K195-Y199 HydrophobicContact CD-CE2 4.06Å; K195-Y199 WeakPolarHBondContact CE-OH 3.49Å; K195-Y199 HydrophobicContact CG-CD2 3.68Å; K195-Y199 HydrophobicContact CG-CE2 3.55Å; K195-Y199 WeakPolarHBondContact O-CB 3.43Å; K195-Y199 WeakPolarHBondContact O-CD2 3.43Å; K195-Y199 PolarHBondContact O-N 2.74Å; A196-Y199 PolarHBondContact O-N 3.47Å; K197-Y199 PolarHBondContact O-N 2.96Å; Y199-Q201 VanDerWaalsContact C-N 3.35Å; Y199-Q201 PolarHBondContact O-N 3.27Å; Y199-L202 PolarHBondContact O-N 3.46Å; Y199-E203 VanDerWaalsContact O-CB 3.25Å; Y199-E203 WeakPolarHBondContact O-CB 3.5Å; Y199-E203 PolarHBondContact O-N 2.89Å
200L97.3Very high97.9Very high116 Ų11669 Ų6961%0.60734%0.342SS*.Hα-helixtrans-63.1-39.8176.4-179.263.8000112.2A196 K197 E203 N204A196-L200 PolarHBondContact O-N 2.9Å; A196-L200 VanDerWaalsContact O-N 3.09Å; K197-L200 PolarHBondContact O-N 3.35Å; L200-E203 PolarHBondContact O-N 3.36Å; L200-N204 WeakPolarHBondContact O-CB 3.42Å; L200-N204 PolarHBondContact O-N 3.21Å
201Q98.2Very high97.9Very high70 Ų7069.8 Ų69.833%0.32734%0.339SS..Hα-helixtrans-65.2-41.6176.8-172.2178.6-14.100111.9V56 K197 Y198 Y199 L205V56-Q201 HydrophobicContact CG1-CG 4.05Å; K197-Q201 PolarHBondContact O-N 3.5Å; K197-Q201 VanDerWaalsContact O-N 3.09Å; Y198-Q201 PolarHBondContact O-N 2.97Å; Y199-Q201 VanDerWaalsContact C-N 3.35Å; Y199-Q201 PolarHBondContact O-N 3.27Å; Q201-L205 HydrophobicContact CG-CD1 4.33Å; Q201-L205 WeakPolarHBondContact O-CB 3.42Å; Q201-L205 VanDerWaalsContact O-CG 3.3Å; Q201-L205 WeakPolarHBondContact O-CG 3.35Å; Q201-L205 PolarHBondContact O-N 2.97Å
202L98.5Very high97.9Very high20 Ų2071.8 Ų71.811%0.10535%0.347CS..Hα-helixtrans-70.8-37.2176.4-73.1166.6000112.4F53 V56 L57 A60 Y198 Y199 L205 K206F53-L202 HydrophobicContact CD2-CD2 3.87Å; F53-L202 HydrophobicContact CE2-CB 4.07Å; F53-L202 HydrophobicContact CE2-CD2 3.76Å; F53-L202 WeakPolarHBondContact CE2-O 3.37Å; F53-L202 HydrophobicContact CG-CD2 4.42Å; F53-L202 HydrophobicContact CZ-CD2 4.24Å; V56-L202 HydrophobicContact CB-CD2 4.11Å; V56-L202 HydrophobicContact CG1-CD2 3.86Å; V56-L202 HydrophobicContact CG1-CG 4.08Å; L57-L202 HydrophobicContact CB-CD2 3.94Å; L57-L202 HydrophobicContact CD1-CD1 3.86Å; L57-L202 HydrophobicContact CD1-CD2 4.5Å; A60-L202 HydrophobicContact CB-CD1 4.44Å; Y198-L202 WeakPolarHBondContact O-CB 3.42Å; Y198-L202 VanDerWaalsContact O-CG 3.26Å; Y198-L202 WeakPolarHBondContact O-CG 3.44Å; Y198-L202 PolarHBondContact O-N 3.41Å; Y199-L202 PolarHBondContact O-N 3.46Å; L202-L205 PolarHBondContact O-N 3.35Å; L202-K206 WeakPolarHBondContact O-CB 3.33Å; L202-K206 PolarHBondContact O-N 3.33Å
203E97.8Very high97.9Very high106 Ų10673.6 Ų73.650%0.49536%0.356SS..Hα-helixtrans-61.7-46.9174.2-179.2170.1-129.500111.1Y199 L200 K206 K207Y199-E203 VanDerWaalsContact O-CB 3.25Å; Y199-E203 WeakPolarHBondContact O-CB 3.5Å; Y199-E203 PolarHBondContact O-N 2.89Å; L200-E203 PolarHBondContact O-N 3.36Å; E203-K206 PolarHBondContact O-N 2.98Å; E203-K207 PolarHBondContact O-N 2.72Å
204N98.2Very high98Very high98 Ų9871.5 Ų71.552%0.52436%0.356SS..Hα-helixtrans-63.3-44.2174.4-173.489.2000112.2L200 K206 K207 T208L200-N204 WeakPolarHBondContact O-CB 3.42Å; L200-N204 PolarHBondContact O-N 3.21Å; N204-K206 VanDerWaalsContact C-N 3.35Å; N204-K206 PolarHBondContact O-N 2.69Å; N204-K207 WeakPolarHBondContact O-CB 3.41Å; N204-K207 PolarHBondContact O-N 2.88Å; N204-T208 PolarHBondContact O-N 3.49Å; N204-T208 PolarHBondContact O-OG1 2.94Å
205L98Very high98Very high33 Ų3373.4 Ų73.417%0.17336%0.362CS..Hα-helixtrans-64.6-36.9176.5-75.4169.4000112.3K52 F53 V56 Q201 L202 T208 V209K52-L205 HydrophobicContact CB-CD2 4.39Å; F53-L205 HydrophobicContact CB-CB 4.32Å; F53-L205 HydrophobicContact CD2-CB 3.94Å; V56-L205 HydrophobicContact CB-CD1 4.05Å; V56-L205 HydrophobicContact CG1-CD1 4.34Å; V56-L205 HydrophobicContact CG2-CD1 3.82Å; Q201-L205 HydrophobicContact CG-CD1 4.33Å; Q201-L205 WeakPolarHBondContact O-CB 3.42Å; Q201-L205 VanDerWaalsContact O-CG 3.3Å; Q201-L205 WeakPolarHBondContact O-CG 3.35Å; Q201-L205 PolarHBondContact O-N 2.97Å; L202-L205 PolarHBondContact O-N 3.35Å; L205-T208 PolarHBondContact O-N 2.93Å; L205-V209 WeakPolarHBondContact O-CG2 3.45Å; L205-V209 PolarHBondContact O-N 3.36Å
206K98.3Very high98.1Very high75 Ų7571.7 Ų71.733%0.32636%0.355SS..Hα-helixtrans-62.8-46.8171.7169.7162.5169.349.10110.8F53 L202 E203 N204 T208 V209 D210 F371F53-K206 HydrophobicContact CD2-CB 4.37Å; F53-K206 HydrophobicContact CE2-CB 3.99Å; L202-K206 WeakPolarHBondContact O-CB 3.33Å; L202-K206 PolarHBondContact O-N 3.33Å; E203-K206 PolarHBondContact O-N 2.98Å; N204-K206 VanDerWaalsContact C-N 3.35Å; N204-K206 PolarHBondContact O-N 2.69Å; K206-T208 VanDerWaalsContact C-N 3.27Å; K206-T208 PolarHBondContact O-N 2.98Å; K206-V209 WeakPolarHBondContact O-CA 3.33Å; K206-V209 PolarHBondContact O-N 3.44Å; K206-D210 WeakPolarHBondContact CE-OD2 3.47Å; K206-D210 VanDerWaalsContact CG-OD2 3.28Å; K206-D210 WeakPolarHBondContact CG-OD2 3.35Å; K206-D210 IonicContact NZ-OD1 3.41Å; K206-D210 PolarHBondContact NZ-OD1 3.49Å; K206-D210 IonicContact NZ-OD2 2.61Å; K206-D210 PolarHBondContact NZ-OD2 3.38Å; K206-D210 PolarHBondContact O-N 2.96Å; K206-F371 HydrophobicContact CD-CZ 4.03Å
207K98.4Very high98.2Very high104 Ų10471.9 Ų71.945%0.45235%0.353SS..Hα-helixtrans-54.8-44.2175.3-174174.3-176.6-74.50111.3E203 N204 D210 E211E203-K207 PolarHBondContact O-N 2.72Å; N204-K207 WeakPolarHBondContact O-CB 3.41Å; N204-K207 PolarHBondContact O-N 2.88Å; K207-D210 PolarHBondContact O-N 2.83Å; K207-E211 IonicContact NZ-OE1 3.73Å; K207-E211 PolarHBondContact NZ-OE1 2.92Å; K207-E211 WeakPolarHBondContact O-CB 3.42Å; K207-E211 WeakPolarHBondContact O-CG 3.43Å; K207-E211 PolarHBondContact O-N 2.76Å
208T98.3Very high98.2Very high41 Ų4170.7 Ų70.725%0.25235%0.35SS..Hα-helixtrans-63.7-40.9173.8-56.10000113A49 N204 L205 K206 E211 R212A49-T208 HydrophobicContact CB-CG2 4.47Å; N204-T208 PolarHBondContact O-N 3.49Å; N204-T208 PolarHBondContact O-OG1 2.94Å; L205-T208 PolarHBondContact O-N 2.93Å; K206-T208 VanDerWaalsContact C-N 3.27Å; K206-T208 PolarHBondContact O-N 2.98Å; T208-E211 PolarHBondContact O-N 2.59Å; T208-R212 HydrophobicContact CG2-CG 4.39Å; T208-R212 VanDerWaalsContact O-CG 3.25Å; T208-R212 WeakPolarHBondContact O-CG 3.37Å; T208-R212 PolarHBondContact O-N 3.47Å
209V98.7Very high98.2Very high21 Ų2170.2 Ų70.213%0.12735%0.348CS..Hα-helixtrans-62.8-44.1175168.40000111.3L46 A49 R50 L205 K206 R212 Q213L46-V209 HydrophobicContact CD1-CG1 4.05Å; L46-V209 WeakPolarHBondContact CD1-O 3.38Å; A49-V209 HydrophobicContact CB-CG2 3.79Å; R50-V209 HydrophobicContact CG-CG1 3.81Å; R50-V209 HydrophobicContact CG-CG2 4.09Å; L205-V209 WeakPolarHBondContact O-CG2 3.45Å; L205-V209 PolarHBondContact O-N 3.36Å; K206-V209 WeakPolarHBondContact O-CA 3.33Å; K206-V209 PolarHBondContact O-N 3.44Å; V209-R212 PolarHBondContact O-N 3.15Å; V209-Q213 VanDerWaalsContact O-CB 3.27Å; V209-Q213 WeakPolarHBondContact O-CB 3.38Å; V209-Q213 PolarHBondContact O-N 3.23Å
210D98.6Very high98.3Very high74 Ų7467.2 Ų67.240%0.39634%0.338SS..Hα-helixtrans-65.2-40.5178.3-59.7-28.1000111.1K206 K207 Q213 A214K206-D210 WeakPolarHBondContact CE-OD2 3.47Å; K206-D210 VanDerWaalsContact CG-OD2 3.28Å; K206-D210 WeakPolarHBondContact CG-OD2 3.35Å; K206-D210 IonicContact NZ-OD1 3.41Å; K206-D210 PolarHBondContact NZ-OD1 3.49Å; K206-D210 IonicContact NZ-OD2 2.61Å; K206-D210 PolarHBondContact NZ-OD2 3.38Å; K206-D210 PolarHBondContact O-N 2.96Å; K207-D210 PolarHBondContact O-N 2.83Å; D210-Q213 PolarHBondContact O-N 3.47Å; D210-A214 WeakPolarHBondContact O-CB 3.48Å; D210-A214 PolarHBondContact O-N 2.61Å
211E98.3Very high98.4Very high84 Ų8462.5 Ų62.539%0.39332%0.318SS..Hα-helixtrans-63-44.1173.7-76166.5171.600112.8K207 T208 Q213 A214 K215K207-E211 IonicContact NZ-OE1 3.73Å; K207-E211 PolarHBondContact NZ-OE1 2.92Å; K207-E211 WeakPolarHBondContact O-CB 3.42Å; K207-E211 WeakPolarHBondContact O-CG 3.43Å; K207-E211 PolarHBondContact O-N 2.76Å; T208-E211 PolarHBondContact O-N 2.59Å; E211-Q213 VanDerWaalsContact C-N 3.34Å; E211-A214 PolarHBondContact O-N 2.91Å; E211-K215 WeakPolarHBondContact O-CG 3.42Å; E211-K215 PolarHBondContact O-N 3.12Å
212R98.3Very high98.4Very high65 Ų6563.1 Ų63.125%0.24532%0.32CS..Hα-helixtrans-67.4-36.9175.6-65.7-61.7-178.6168.114.1111.3E45 L46 T208 V209 K215 L216E45-R212 VanDerWaalsContact CD-CZ 3.42Å; E45-R212 IonicContact OE1-CZ 3.16Å; E45-R212 IonicContact OE1-NH1 3.48Å; E45-R212 PolarHBondContact OE1-NH1 3.05Å; E45-R212 IonicContact OE1-NH2 2.59Å; E45-R212 PolarHBondContact OE1-NH2 2.8Å; E45-R212 IonicContact OE2-CZ 3.86Å; E45-R212 IonicContact OE2-NH1 2.69Å; E45-R212 PolarHBondContact OE2-NH1 3Å; L46-R212 HydrophobicContact CB-CB 4.08Å; L46-R212 HydrophobicContact CD1-CB 3.9Å; T208-R212 HydrophobicContact CG2-CG 4.39Å; T208-R212 VanDerWaalsContact O-CG 3.25Å; T208-R212 WeakPolarHBondContact O-CG 3.37Å; T208-R212 PolarHBondContact O-N 3.47Å; V209-R212 PolarHBondContact O-N 3.15Å; R212-K215 PolarHBondContact O-N 2.7Å; R212-L216 WeakPolarHBondContact O-CB 3.47Å; R212-L216 PolarHBondContact O-N 3.3Å
213Q98.6Very high98.4Very high68 Ų6865.9 Ų65.932%0.31833%0.33SS..Hα-helixtrans-65.2-38.8175.4-176.261.983.700111.7L46 V209 D210 E211 S217L46-Q213 HydrophobicContact CD1-CB 4.1Å; L46-Q213 HydrophobicContact CD2-CB 4.47Å; V209-Q213 VanDerWaalsContact O-CB 3.27Å; V209-Q213 WeakPolarHBondContact O-CB 3.38Å; V209-Q213 PolarHBondContact O-N 3.23Å; D210-Q213 PolarHBondContact O-N 3.47Å; E211-Q213 VanDerWaalsContact C-N 3.34Å; Q213-S217 PolarHBondContact O-N 3.44Å; Q213-S217 VanDerWaalsContact O-N 3.07Å; Q213-S217 PolarHBondContact O-OG 2.86Å; Q213-S217 VanDerWaalsContact O-OG 3.12Å
214A98.6Very high98.4Very high58 Ų5867.6 Ų67.648%0.47933%0.332SS..Hα-helixtrans-64.9-46173.900000111.9D210 E211 L216 S217 Q218D210-A214 WeakPolarHBondContact O-CB 3.48Å; D210-A214 PolarHBondContact O-N 2.61Å; E211-A214 PolarHBondContact O-N 2.91Å; A214-L216 PolarHBondContact O-N 3.48Å; A214-S217 WeakPolarHBondContact O-CB 3.29Å; A214-S217 PolarHBondContact O-N 2.95Å; A214-S217 VanDerWaalsContact O-N 3.17Å; A214-Q218 PolarHBondContact O-N 3.29Å
215K98.1Very high98.4Very high108 Ų10866.6 Ų66.647%0.4733%0.33SS..Hα-helixtrans-59.9-41.9175.2-73.4-178.6176.7-169.50112.9E211 R212 S217 Q218 A219E211-K215 WeakPolarHBondContact O-CG 3.42Å; E211-K215 PolarHBondContact O-N 3.12Å; R212-K215 PolarHBondContact O-N 2.7Å; K215-S217 VanDerWaalsContact C-N 3.34Å; K215-S217 PolarHBondContact O-N 3.01Å; K215-Q218 WeakPolarHBondContact O-CB 3.34Å; K215-Q218 PolarHBondContact O-N 3.3Å; K215-A219 PolarHBondContact O-N 3.21Å
216L98.6Very high98.4Very high13 Ų1365.2 Ų65.27%0.06832%0.323CS..Hα-helixtrans-61.8-42.1174.5179.359.4000112I39 C42 E43 L46 R212 A214 Q218 K220I39-L216 HydrophobicContact CG2-CD1 4.2Å; C42-L216 HydrophobicContact CB-CB 4.05Å; C42-L216 HydrophobicContact CB-CD1 3.97Å; E43-L216 HydrophobicContact CG-CD1 3.41Å; E43-L216 VanDerWaalsContact CG-CD1 3.41Å; E43-L216 HydrophobicContact CG-CD2 3.74Å; E43-L216 HydrophobicContact CG-CG 4.23Å; L46-L216 HydrophobicContact CD2-CD2 3.53Å; R212-L216 WeakPolarHBondContact O-CB 3.47Å; R212-L216 PolarHBondContact O-N 3.3Å; A214-L216 PolarHBondContact O-N 3.48Å; L216-Q218 VanDerWaalsContact C-N 3.31Å; L216-Q218 PolarHBondContact O-N 3.5Å; L216-K220 HydrophobicContact CD1-CD 4.32Å; L216-K220 HydrophobicContact CD1-CG 4.36Å; L216-K220 WeakPolarHBondContact O-CB 3.49Å; L216-K220 WeakPolarHBondContact O-CG 3.34Å; L216-K220 PolarHBondContact O-N 3.48Å
217S98.6Very high98.4Very high66 Ų6665.2 Ų65.246%0.46233%0.326SS..Hα-helixtrans-65.3-34.1175.2-64.90000112.6Q213 A214 K215 G221Q213-S217 PolarHBondContact O-N 3.44Å; Q213-S217 VanDerWaalsContact O-N 3.07Å; Q213-S217 PolarHBondContact O-OG 2.86Å; Q213-S217 VanDerWaalsContact O-OG 3.12Å; A214-S217 WeakPolarHBondContact O-CB 3.29Å; A214-S217 PolarHBondContact O-N 2.95Å; A214-S217 VanDerWaalsContact O-N 3.17Å; K215-S217 VanDerWaalsContact C-N 3.34Å; K215-S217 PolarHBondContact O-N 3.01Å; S217-G221 PolarHBondContact O-N 3.4Å
218Q98.4Very high98.4Very high113 Ų11366.8 Ų66.853%0.52833%0.333SS..Hα-helixtrans-66.7-53.8174178-176.7-14.500111.5A214 K215 L216 K220 G221 E222A214-Q218 PolarHBondContact O-N 3.29Å; K215-Q218 WeakPolarHBondContact O-CB 3.34Å; K215-Q218 PolarHBondContact O-N 3.3Å; L216-Q218 VanDerWaalsContact C-N 3.31Å; L216-Q218 PolarHBondContact O-N 3.5Å; Q218-K220 VanDerWaalsContact C-N 3.3Å; Q218-K220 PolarHBondContact O-N 2.92Å; Q218-G221 CarbonylContact O-C 3.48Å; Q218-G221 WeakPolarHBondContact O-CA 3.22Å; Q218-G221 PolarHBondContact O-N 2.89Å; Q218-E222 VanDerWaalsContact CG-OE1 3.27Å; Q218-E222 WeakPolarHBondContact CG-OE1 3.35Å; Q218-E222 PolarHBondContact NE2-OE1 3.31Å; Q218-E222 PolarHBondContact O-N 3.42Å
219A98.4Very high98.3Very high3 Ų367.1 Ų67.13%0.02533%0.333CS..Hα-helixtrans-60.8-38.1179.600000112.2D38 I39 K215 G221 E222 Y223D38-A219 HydrophobicContact CB-CB 4.08Å; I39-A219 HydrophobicContact CG1-CB 3.94Å; K215-A219 PolarHBondContact O-N 3.21Å; A219-G221 PolarHBondContact O-N 3.4Å; A219-E222 PolarHBondContact O-N 3.36Å; A219-Y223 WeakPolarHBondContact O-CB 3.38Å; A219-Y223 PolarHBondContact O-N 3.28Å
220K98.4Very high98.2Very high76 Ų7667.7 Ų67.733%0.3334%0.335SS..Hα-helixtrans-67.3-24170.3-70.2-169.6175.5-175.30113.2I39 E43 L216 Q218 R224I39-K220 HydrophobicContact CD1-CG 3.75Å; I39-K220 HydrophobicContact CG1-CG 3.7Å; I39-K220 HydrophobicContact CG2-CG 4.41Å; E43-K220 VanDerWaalsContact OE1-CE 3.31Å; E43-K220 WeakPolarHBondContact OE1-CE 3.26Å; E43-K220 IonicContact OE1-NZ 2.98Å; E43-K220 PolarHBondContact OE1-NZ 3.08Å; L216-K220 HydrophobicContact CD1-CD 4.32Å; L216-K220 HydrophobicContact CD1-CG 4.36Å; L216-K220 WeakPolarHBondContact O-CB 3.49Å; L216-K220 WeakPolarHBondContact O-CG 3.34Å; L216-K220 PolarHBondContact O-N 3.48Å; Q218-K220 VanDerWaalsContact C-N 3.3Å; Q218-K220 PolarHBondContact O-N 2.92Å; K220-R224 VanDerWaalsContact C-NH2 3.27Å; K220-R224 WeakPolarHBondContact O-CB 3.45Å; K220-R224 WeakPolarHBondContact O-CG 3.27Å; K220-R224 PolarHBondContact O-N 2.99Å; K220-R224 PolarHBondContact O-NE 3.25Å; K220-R224 PolarHBondContact O-NH2 3.03Å; K220-R224 VanDerWaalsContact O-NH2 3.13Å
221G98.4Very high98.1Very high17 Ų1769.9 Ų69.918%0.17534%0.343CS..Hα-helixtrans-71-51.5169.800000111.6S217 Q218 A219 Y223 R224 T225S217-G221 PolarHBondContact O-N 3.4Å; Q218-G221 CarbonylContact O-C 3.48Å; Q218-G221 WeakPolarHBondContact O-CA 3.22Å; Q218-G221 PolarHBondContact O-N 2.89Å; A219-G221 PolarHBondContact O-N 3.4Å; G221-Y223 PolarHBondContact O-N 3.47Å; G221-R224 CarbonylContact O-C 3.56Å; G221-R224 WeakPolarHBondContact O-CA 3.41Å; G221-R224 WeakPolarHBondContact O-CB 3.37Å; G221-R224 PolarHBondContact O-N 2.95Å; G221-T225 PolarHBondContact O-N 2.73Å; G221-T225 PolarHBondContact O-OG1 2.95Å
222E98.1Very high98.1Very high83 Ų8371.2 Ų71.239%0.38835%0.351SS..Hα-helixtrans-58.5-45.6178.8-71157.3177.400111.5Q218 A219 R224 T225 A226Q218-E222 VanDerWaalsContact CG-OE1 3.27Å; Q218-E222 WeakPolarHBondContact CG-OE1 3.35Å; Q218-E222 PolarHBondContact NE2-OE1 3.31Å; Q218-E222 PolarHBondContact O-N 3.42Å; A219-E222 PolarHBondContact O-N 3.36Å; E222-R224 PolarHBondContact O-N 3.31Å; E222-T225 PolarHBondContact O-N 2.92Å; E222-T225 VanDerWaalsContact O-N 3.14Å; E222-A226 PolarHBondContact O-N 3.28Å
223Y98.6Very high97.9Very high77 Ų7768.7 Ų68.730%0.30234%0.342SS..Hα-helixtrans-55.8-45171-177.5-92000113.1L32 T36 I39 A219 G221 T225 A226 L227L32-Y223 HydrophobicContact CD1-CE2 4.47Å; L32-Y223 HydrophobicContact CD2-CD2 4.44Å; L32-Y223 HydrophobicContact CD2-CE2 3.72Å; L32-Y223 HydrophobicContact CG-CD2 4.09Å; L32-Y223 HydrophobicContact CG-CE2 3.72Å; T36-Y223 WeakPolarHBondContact OG1-CE2 3.38Å; I39-Y223 HydrophobicContact CD1-CD2 4.31Å; I39-Y223 HydrophobicContact CD1-CG 4.08Å; A219-Y223 WeakPolarHBondContact O-CB 3.38Å; A219-Y223 PolarHBondContact O-N 3.28Å; G221-Y223 PolarHBondContact O-N 3.47Å; Y223-T225 VanDerWaalsContact C-N 3.33Å; Y223-T225 PolarHBondContact O-N 2.83Å; Y223-A226 PolarHBondContact O-N 3.42Å; Y223-L227 HydrophobicContact CD1-CD1 3.94Å; Y223-L227 HydrophobicContact CE1-CD1 3.37Å; Y223-L227 HydrophobicContact CE1-CG 4.24Å; Y223-L227 PolarHBondContact O-N 2.99Å; Y223-L227 VanDerWaalsContact O-N 3.13Å
224R98.4Very high97.7Very high142 Ų14268 Ų6854%0.53635%0.345SS..Hα-helixtrans-68.9-29.4177.8-84-178.7-86.9103.6-0.9112.8K220 G221 E222 K228K220-R224 VanDerWaalsContact C-NH2 3.27Å; K220-R224 WeakPolarHBondContact O-CB 3.45Å; K220-R224 WeakPolarHBondContact O-CG 3.27Å; K220-R224 PolarHBondContact O-N 2.99Å; K220-R224 PolarHBondContact O-NE 3.25Å; K220-R224 PolarHBondContact O-NH2 3.03Å; K220-R224 VanDerWaalsContact O-NH2 3.13Å; G221-R224 CarbonylContact O-C 3.56Å; G221-R224 WeakPolarHBondContact O-CA 3.41Å; G221-R224 WeakPolarHBondContact O-CB 3.37Å; G221-R224 PolarHBondContact O-N 2.95Å; E222-R224 PolarHBondContact O-N 3.31Å; R224-K228 WeakPolarHBondContact O-CG 3.42Å; R224-K228 PolarHBondContact O-N 3.46Å
225T98.3Very high97.5Very high78 Ų7869.8 Ų69.848%0.47935%0.346SS..Hα-helixtrans-73.2-45.6173.9-59.30000110.9G221 E222 Y223 L227 K228 N229G221-T225 PolarHBondContact O-N 2.73Å; G221-T225 PolarHBondContact O-OG1 2.95Å; E222-T225 PolarHBondContact O-N 2.92Å; E222-T225 VanDerWaalsContact O-N 3.14Å; Y223-T225 VanDerWaalsContact C-N 3.33Å; Y223-T225 PolarHBondContact O-N 2.83Å; T225-L227 VanDerWaalsContact C-N 3.32Å; T225-L227 PolarHBondContact O-N 2.97Å; T225-K228 PolarHBondContact O-N 2.95Å; T225-K228 VanDerWaalsContact O-N 3.09Å; T225-N229 PolarHBondContact O-N 2.72Å; T225-N229 PolarHBondContact O-OD1 3.41Å
226A97.8Very high97.3Very high3 Ų368.1 Ų68.13%0.02534%0.34CS..Hα-helixtrans-58.3-42176.800000112.2K31 L32 E222 Y223 K228 N229 L230K31-A226 HydrophobicContact CB-CB 4.26Å; L32-A226 HydrophobicContact CB-CB 4.32Å; E222-A226 PolarHBondContact O-N 3.28Å; Y223-A226 PolarHBondContact O-N 3.42Å; A226-K228 PolarHBondContact O-N 2.94Å; A226-N229 PolarHBondContact O-N 2.81Å; A226-L230 WeakPolarHBondContact O-CG 3.33Å; A226-L230 PolarHBondContact O-N 3.18Å
227L98.2Very high96.9Very high75 Ų7569.1 Ų69.139%0.39335%0.345SS..Hα-helixtrans-59.6-43.8172.9-80.2174.6000113.1L32 Y223 T225 N229 L230 E231L32-L227 HydrophobicContact CD1-CD2 3.6Å; L32-L227 HydrophobicContact CD1-CG 4Å; Y223-L227 HydrophobicContact CD1-CD1 3.94Å; Y223-L227 HydrophobicContact CE1-CD1 3.37Å; Y223-L227 HydrophobicContact CE1-CG 4.24Å; Y223-L227 PolarHBondContact O-N 2.99Å; Y223-L227 VanDerWaalsContact O-N 3.13Å; T225-L227 VanDerWaalsContact C-N 3.32Å; T225-L227 PolarHBondContact O-N 2.97Å; L227-N229 VanDerWaalsContact C-N 3.33Å; L227-N229 PolarHBondContact O-N 3.2Å; L227-L230 PolarHBondContact O-N 3.01Å; L227-E231 WeakPolarHBondContact O-CB 3.27Å; L227-E231 PolarHBondContact O-N 2.86Å
228K98.1Very high96.5Very high137 Ų13769.9 Ų69.960%0.59634%0.341SS*.Hα-helixtrans-67.8-31.3176.6-75.8-172.9170.5-153.80113.4R224 T225 A226 M232R224-K228 WeakPolarHBondContact O-CG 3.42Å; R224-K228 PolarHBondContact O-N 3.46Å; T225-K228 PolarHBondContact O-N 2.95Å; T225-K228 VanDerWaalsContact O-N 3.09Å; A226-K228 PolarHBondContact O-N 2.94Å; K228-M232 VanDerWaalsContact O-CB 3.3Å; K228-M232 WeakPolarHBondContact O-CB 3.41Å; K228-M232 PolarHBondContact O-N 3.36Å
229N97.2Very high96.2Very high49 Ų4969.2 Ų69.226%0.26234%0.338SS..Hα-helixtrans-68.8-41.3174.4-63.2-15.1000110.5E28 T225 A226 L227 M232 I233E28-N229 HydrophobicContact CG-CB 3.78Å; E28-N229 WeakPolarHBondContact OE2-CB 3.42Å; E28-N229 PolarHBondContact OE2-ND2 2.93Å; T225-N229 PolarHBondContact O-N 2.72Å; T225-N229 PolarHBondContact O-OD1 3.41Å; A226-N229 PolarHBondContact O-N 2.81Å; L227-N229 VanDerWaalsContact C-N 3.33Å; L227-N229 PolarHBondContact O-N 3.2Å; N229-M232 PolarHBondContact O-N 2.78Å; N229-I233 WeakPolarHBondContact O-CB 3.49Å; N229-I233 WeakPolarHBondContact O-CD1 3.43Å; N229-I233 WeakPolarHBondContact O-CG1 3.34Å; N229-I233 PolarHBondContact O-N 2.68Å
230L96.6Very high95.7Very high32 Ų3276.9 Ų76.917%0.16837%0.366CS..Hα-helixtrans-63.6-43.1173.8-72165.3000112.2I25 E28 L29 L32 A226 L227 I233 S234I25-L230 HydrophobicContact CG2-CD2 3.97Å; E28-L230 HydrophobicContact CB-CD1 4.34Å; E28-L230 HydrophobicContact CB-CD2 3.74Å; E28-L230 HydrophobicContact CB-CG 3.72Å; L29-L230 HydrophobicContact CD2-CD1 3.93Å; L29-L230 HydrophobicContact CD2-CD2 4.41Å; L29-L230 HydrophobicContact CG-CD1 4.48Å; L29-L230 HydrophobicContact CG-CD2 4.24Å; L32-L230 HydrophobicContact CD1-CD1 3.9Å; A226-L230 WeakPolarHBondContact O-CG 3.33Å; A226-L230 PolarHBondContact O-N 3.18Å; L227-L230 PolarHBondContact O-N 3.01Å; L230-I233 PolarHBondContact O-N 2.73Å; L230-S234 WeakPolarHBondContact O-CB 3.49Å; L230-S234 PolarHBondContact O-N 3.44Å
231E96.9Very high95.1Very high121 Ų12177.9 Ų77.957%0.56537%0.368SS*.Hα-helixtrans-56.4-49.9172.3-176.4175.7-143.300111L227 S234 D235L227-E231 WeakPolarHBondContact O-CB 3.27Å; L227-E231 PolarHBondContact O-N 2.86Å; E231-S234 WeakPolarHBondContact O-CB 3.4Å; E231-S234 PolarHBondContact O-N 2.94Å; E231-D235 PolarHBondContact O-N 2.98Å
232M96.9Very high94.6Very high112 Ų11283.1 Ų83.155%0.55238%0.383SS*.Hα-helixtrans-62.3-43.7177.7-173.9-177.8-57.900113.4K228 N229 S234 D235 E236K228-M232 VanDerWaalsContact O-CB 3.3Å; K228-M232 WeakPolarHBondContact O-CB 3.41Å; K228-M232 PolarHBondContact O-N 3.36Å; N229-M232 PolarHBondContact O-N 2.78Å; M232-S234 VanDerWaalsContact C-N 3.32Å; M232-S234 PolarHBondContact O-N 3.35Å; M232-D235 PolarHBondContact O-N 2.99Å; M232-E236 WeakPolarHBondContact O-CB 3.38Å; M232-E236 WeakPolarHBondContact O-CG 3.45Å; M232-E236 PolarHBondContact O-N 3.03Å
233I94.3Very high93.7Very high11 Ų1182.4 Ų82.46%0.05639%0.387CS..Hα-helixtrans-64.6-39.6176.7-66.9159.4000110.4R24 I25 E28 N229 L230 E236 I237R24-I233 HydrophobicContact CB-CD1 3.74Å; R24-I233 HydrophobicContact CB-CG1 4.48Å; I25-I233 HydrophobicContact CD1-CG2 4.2Å; I25-I233 HydrophobicContact CG1-CG2 3.68Å; E28-I233 HydrophobicContact CG-CD1 4.01Å; N229-I233 WeakPolarHBondContact O-CB 3.49Å; N229-I233 WeakPolarHBondContact O-CD1 3.43Å; N229-I233 WeakPolarHBondContact O-CG1 3.34Å; N229-I233 PolarHBondContact O-N 2.68Å; L230-I233 PolarHBondContact O-N 2.73Å; I233-E236 PolarHBondContact O-N 2.84Å; I233-I237 HydrophobicContact CG2-CD1 3.78Å; I233-I237 HydrophobicContact CG2-CG1 4.47Å; I233-I237 WeakPolarHBondContact O-CD1 3.39Å; I233-I237 VanDerWaalsContact O-CG1 3.24Å; I233-I237 WeakPolarHBondContact O-CG1 3.27Å; I233-I237 PolarHBondContact O-N 2.96Å
234S94.3Very high92.4Very high55 Ų5583.3 Ų83.339%0.38540%0.404SS..Hα-helixtrans-60.7-48174.8-1690000111.4L230 E231 M232 I237 H238L230-S234 WeakPolarHBondContact O-CB 3.49Å; L230-S234 PolarHBondContact O-N 3.44Å; E231-S234 WeakPolarHBondContact O-CB 3.4Å; E231-S234 PolarHBondContact O-N 2.94Å; M232-S234 VanDerWaalsContact C-N 3.32Å; M232-S234 PolarHBondContact O-N 3.35Å; S234-I237 PolarHBondContact O-N 3.34Å; S234-H238 PolarHBondContact O-CD2 3.32Å; S234-H238 PolarHBondContact O-N 3.41Å
235D94.9Very high90.8Very high94 Ų9482 Ų8250%0.50341%0.412SS..Hα-helixtrans-64.7-39.8177.2-83.1-21.6000112.9E231 M232 I237 H238 E239E231-D235 PolarHBondContact O-N 2.98Å; M232-D235 PolarHBondContact O-N 2.99Å; D235-I237 PolarHBondContact O-N 3.1Å; D235-H238 PolarHBondContact O-N 3.33Å; D235-E239 WeakPolarHBondContact O-CB 3.26Å; D235-E239 PolarHBondContact O-N 3.22Å
236E94.2Very high88.9Confident74 Ų7483.5 Ų83.535%0.34642%0.416SS..Hα-helixtrans-58.9-44.9173.1-80.7-178-161.200112.1R24 M232 I233 E239 R240R24-E236 IonicContact CZ-OE2 3.48Å; R24-E236 IonicContact NH1-OE1 2.84Å; R24-E236 IonicContact NH1-OE2 2.73Å; R24-E236 PolarHBondContact NH1-OE2 3.35Å; R24-E236 IonicContact NH2-OE2 2.68Å; R24-E236 PolarHBondContact NH2-OE2 3.27Å; M232-E236 WeakPolarHBondContact O-CB 3.38Å; M232-E236 WeakPolarHBondContact O-CG 3.45Å; M232-E236 PolarHBondContact O-N 3.03Å; I233-E236 PolarHBondContact O-N 2.84Å; E236-E239 PolarHBondContact O-N 3.32Å; E236-R240 WeakPolarHBondContact O-CB 3.42Å; E236-R240 PolarHBondContact O-N 3.44Å
237I90.3Very high87Confident33 Ų3385.5 Ų85.517%0.16944%0.437CS..Hα-helixtrans-66.7-44.2179-68.4165.8000110D22 I25 I233 S234 D235 R240 R241D22-I237 HydrophobicContact CB-CD1 3.91Å; I25-I237 HydrophobicContact CD1-CD1 4.04Å; I233-I237 HydrophobicContact CG2-CD1 3.78Å; I233-I237 HydrophobicContact CG2-CG1 4.47Å; I233-I237 WeakPolarHBondContact O-CD1 3.39Å; I233-I237 VanDerWaalsContact O-CG1 3.24Å; I233-I237 WeakPolarHBondContact O-CG1 3.27Å; I233-I237 PolarHBondContact O-N 2.96Å; S234-I237 PolarHBondContact O-N 3.34Å; D235-I237 PolarHBondContact O-N 3.1Å; I237-R240 PolarHBondContact O-N 3.08Å; I237-R241 WeakPolarHBondContact O-CG 3.38Å; I237-R241 PolarHBondContact O-N 3.43Å
238H90.3Very high84.9Confident83 Ų8388 Ų8838%0.38446%0.458SS..Hα-helixtrans-65.7-37.4176.7-75.1-63.3000112.9S234 D235 R241 R242S234-H238 PolarHBondContact O-CD2 3.32Å; S234-H238 PolarHBondContact O-N 3.41Å; D235-H238 PolarHBondContact O-N 3.33Å; H238-R241 PolarHBondContact O-N 2.94Å; H238-R242 WeakPolarHBondContact O-CB 3.4Å; H238-R242 WeakPolarHBondContact O-CG 3.45Å; H238-R242 PolarHBondContact O-N 2.99Å
239E92.3Very high83.2Confident99 Ų9992 Ų9246%0.46347%0.469SS..Hα-helixtrans-69.5-37.3174.7-170.355.5-137.200112D235 E236 R242 S243D235-E239 WeakPolarHBondContact O-CB 3.26Å; D235-E239 PolarHBondContact O-N 3.22Å; E236-E239 PolarHBondContact O-N 3.32Å; E239-R242 PolarHBondContact O-N 3.49Å; E239-R242 IonicContact OE2-CZ 2.9Å; E239-R242 IonicContact OE2-NE 2.72Å; E239-R242 PolarHBondContact OE2-NE 3.34Å; E239-R242 IonicContact OE2-NH2 2.78Å; E239-R242 PolarHBondContact OE2-NH2 2.91Å; E239-S243 WeakPolarHBondContact O-CB 3.2Å; E239-S243 PolarHBondContact O-N 3Å; E239-S243 PolarHBondContact O-OG 2.92Å
240R87.2Confident81.2Confident163 Ų163100.7 Ų100.762%0.61550%0.498SS*.Hα-helixtrans-61-45.4172.3-171.5-178.3-57.5-132.30.6111.6E236 I237 S243 S244E236-R240 WeakPolarHBondContact O-CB 3.42Å; E236-R240 PolarHBondContact O-N 3.44Å; I237-R240 PolarHBondContact O-N 3.08Å; R240-S243 WeakPolarHBondContact CA-OG 3.36Å; R240-S243 PolarHBondContact O-N 2.59Å; R240-S243 PolarHBondContact O-OG 3.21Å; R240-S244 WeakPolarHBondContact O-CB 3.17Å; R240-S244 PolarHBondContact O-N 3.36Å; R240-S244 PolarHBondContact O-OG 3.38Å; R240-S244 VanDerWaalsContact O-OG 3.12Å
241R86.9Confident79.2Confident98 Ų98104.8 Ų104.837%0.3753%0.527SS..Hα-helixtrans-61.2-49.6174-70.2175.5-178.4143.3-8.3110.9E19 I237 H238 S243 S244 T245E19-R241 IonicContact OE1-CZ 2.81Å; E19-R241 IonicContact OE1-NE 2.59Å; E19-R241 PolarHBondContact OE1-NE 2.9Å; E19-R241 IonicContact OE1-NH2 2.68Å; E19-R241 PolarHBondContact OE1-NH2 3.43Å; E19-R241 IonicContact OE2-CZ 2.72Å; E19-R241 IonicContact OE2-NE 3.79Å; E19-R241 PolarHBondContact OE2-NE 3.31Å; E19-R241 VanDerWaalsContact OE2-NE 3.08Å; E19-R241 IonicContact OE2-NH2 3.67Å; E19-R241 PolarHBondContact OE2-NH2 3.32Å; I237-R241 WeakPolarHBondContact O-CG 3.38Å; I237-R241 PolarHBondContact O-N 3.43Å; H238-R241 PolarHBondContact O-N 2.94Å; R241-S243 VanDerWaalsContact C-N 3.34Å; R241-S243 PolarHBondContact O-N 3.5Å; R241-S244 PolarHBondContact O-N 3.37Å; R241-T245 PolarHBondContact O-N 3.26Å; R241-T245 PolarHBondContact O-OG1 2.9Å
242R86.2Confident77.3Confident127 Ų127103 Ų10348%0.47954%0.541SS..Hα-helixtrans-54.4-45.4176.9-77.1-173.8-66.9-97.74.9113H238 E239H238-R242 WeakPolarHBondContact O-CB 3.4Å; H238-R242 WeakPolarHBondContact O-CG 3.45Å; H238-R242 PolarHBondContact O-N 2.99Å; E239-R242 PolarHBondContact O-N 3.49Å; E239-R242 IonicContact OE2-CZ 2.9Å; E239-R242 IonicContact OE2-NE 2.72Å; E239-R242 PolarHBondContact OE2-NE 3.34Å; E239-R242 IonicContact OE2-NH2 2.78Å; E239-R242 PolarHBondContact OE2-NH2 2.91Å
243S79.8Confident75.2Confident68 Ų68104.8 Ų104.848%0.47656%0.558SS.*Hα-helixtrans-74.2-40.6-178.649.80000112.8E239 R240 R241 T245 I246E239-S243 WeakPolarHBondContact O-CB 3.2Å; E239-S243 PolarHBondContact O-N 3Å; E239-S243 PolarHBondContact O-OG 2.92Å; R240-S243 WeakPolarHBondContact CA-OG 3.36Å; R240-S243 PolarHBondContact O-N 2.59Å; R240-S243 PolarHBondContact O-OG 3.21Å; R241-S243 VanDerWaalsContact C-N 3.34Å; R241-S243 PolarHBondContact O-N 3.5Å; S243-T245 PolarHBondContact O-N 2.93Å; S243-I246 PolarHBondContact O-N 3.31Å
244S71.6Confident73.1Confident95 Ų95107.2 Ų107.266%0.66459%0.586SS**Hα-helixtrans-63.4-36.7174-69.30000113.4R240 R241 I246R240-S244 WeakPolarHBondContact O-CB 3.17Å; R240-S244 PolarHBondContact O-N 3.36Å; R240-S244 PolarHBondContact O-OG 3.38Å; R240-S244 VanDerWaalsContact O-OG 3.12Å; R241-S244 PolarHBondContact O-N 3.37Å; S244-I246 PolarHBondContact O-N 2.76Å
245T65.2Low70.9Confident114 Ų114109.2 Ų109.270%0.69961%0.606SS**THydrogen-bonded Turntrans-69.2-16.6176.9-54.10000112.9R241 S243 G247R241-T245 PolarHBondContact O-N 3.26Å; R241-T245 PolarHBondContact O-OG1 2.9Å; S243-T245 PolarHBondContact O-N 2.93Å; T245-G247 PolarHBondContact O-N 2.89Å
246I56.8Low69.1Low110 Ų110113 Ų11356%0.56462%0.621SS**  trans-84.167.4174.8-94.257000110.6S243 S244S243-I246 PolarHBondContact O-N 3.31Å; S244-I246 PolarHBondContact O-N 2.76Å
247G59.6Low66.6Low45 Ų45113 Ų11346%0.46464%0.641SS.*  trans-59.8153.8160.100000111.1T245 R249T245-G247 PolarHBondContact O-N 2.89Å; G247-R249 PolarHBondContact O-N 2.92Å
248P53Low64Low129 Ų129118.4 Ų118.484%0.83867%0.67SS**  trans-57.8112.5-178.2-25.134.4000111.8R250P248-R250 PolarHBondContact O-N 2.88Å
249R63.5Low61.8Low220 Ų220119.6 Ų119.683%0.8369%0.687SS**  trans-58.1108.2173.6-77-173.4168.795.90.5108.6G247G247-R249 PolarHBondContact O-N 2.92Å
250R55Low59.4Low231 Ų231120.8 Ų120.887%0.87271%0.707SS**PPolyproline II helixtrans-60143.7172.7-71.5-169.3174.9-142.1-0.2109.1P248 G252P248-R250 PolarHBondContact O-N 2.88Å; R250-G252 PolarHBondContact O-N 3.25Å
251P54.6Low57.5Low118 Ų118119 Ų11977%0.76672%0.719SS**PPolyproline II helixtrans-51.4128172.2-26.935.3000110.7V253P251-V253 PolarHBondContact O-N 2.91Å
252G56Low55.3Low85 Ų85117.9 Ų117.988%0.87674%0.739SS**PPolyproline II helixtrans-66.1121.3179.500000110.6R250R250-G252 PolarHBondContact O-N 3.25Å
253V53.6Low53.1Low148 Ų148119.7 Ų119.790%0.89776%0.758SS**PPolyproline II helixtrans-101.9137.3172.4-76.90000109.7P251P251-V253 PolarHBondContact O-N 2.91Å
254G50.4Low51.3Low63 Ų63124 Ų12465%0.64978%0.775SS**  trans126.977.7177.400000113.5
255A46.6Very low50.1Low97 Ų97125.1 Ų125.180%0.80278%0.778SS**  trans-174.743166.900000111.7
256E57.4Low49.3Very low173 Ų173124 Ų12481%0.80878%0.775SS**  trans-72.5125.4170.737-85.489.200111.8
257G41.9Very low48.6Very low75 Ų75123.3 Ų123.377%0.77378%0.779SS**  trans129.8132.4172.700000112.4
258D37Very low47.5Very low146 Ų146130.5 Ų130.578%0.78180%0.799SS**  cis-169.6149.1-10.3178.721.5000105.9
259S43.8Very low47.2Very low107 Ų107131.5 Ų131.575%0.74879%0.79SS**  trans-7113.4165.6-44.10000119.1
260S41.1Very low46.8Very low124 Ų124129.6 Ų129.687%0.86779%0.792SS**  trans-154.6130.7130.759.80000112.8
261S48.1Very low46.2Very low126 Ų126124.9 Ų124.988%0.88178%0.78SS**  trans-91.7135.8166.953.20000109.8
262G39.3Very low46Very low75 Ų75125 Ų12577%0.77378%0.784SS**  trans-170.6137173.100000111.8
263D39.9Very low45.3Very low165 Ų165128.5 Ų128.588%0.88278%0.782SS**  trans-97.4165.2-171.3-58.1-84.4000114.4
264D42.7Very low45.2Very low157 Ų157125.2 Ų125.284%0.8478%0.778SS**  trans75.3172.2148.1-134.8-30.3000119.8
265V47.5Very low44.8Very low120 Ų120130.1 Ų130.173%0.72779%0.788SS**  trans70.6104-172.9104.90000114.2
266S46.8Very low44.6Very low90 Ų90131 Ų13163%0.62979%0.788SS**  cis84127.441.1-1660000115.2
267S42.3Very low44.1Very low95 Ų95131.6 Ų131.666%0.66479%0.793SS**  trans58.787.1155.4-177.80000119.4
268F36.7Very low43.6Very low197 Ų197133 Ų13386%0.86480%0.798SS**  trans-121.484.2150.1-56.2-64.8000110.7M270F268-M270 PolarHBondContact O-N 2.91Å
269K47.5Very low43.7Very low150 Ų150131 Ų13165%0.65280%0.795SS**  trans-73.1119.1165.5-177.2-161.3178-145.60107.9E271K269-E271 VanDerWaalsContact CE-CD 3.5Å; K269-E271 WeakPolarHBondContact CE-OE1 3.38Å; K269-E271 IonicContact NZ-OE1 3.25Å; K269-E271 PolarHBondContact NZ-OE1 2.87Å; K269-E271 IonicContact NZ-OE2 3.53Å; K269-E271 PolarHBondContact NZ-OE2 2.56Å
270M55.3Low43.2Very low179 Ų179134.8 Ų134.888%0.88280%0.801SS**  trans-118.6125.9168.4-166.168.2124.400108.5F268F268-M270 PolarHBondContact O-N 2.91Å
271E42.7Very low43.2Very low133 Ų133134.5 Ų134.562%0.62180%0.797SS**  trans-90148.9179.9-75.5155.5124.300110.6K269K269-E271 VanDerWaalsContact CE-CD 3.5Å; K269-E271 WeakPolarHBondContact CE-OE1 3.38Å; K269-E271 IonicContact NZ-OE1 3.25Å; K269-E271 PolarHBondContact NZ-OE1 2.87Å; K269-E271 IonicContact NZ-OE2 3.53Å; K269-E271 PolarHBondContact NZ-OE2 2.56Å
272S49.5Very low42.5Very low120 Ų120137.8 Ų137.884%0.83980%0.796SS**  trans-140.4108170-71.50000107.7
273D40.4Very low42.6Very low159 Ų159141.4 Ų141.485%0.8580%0.798SS**  trans-67.2154.9-175.5-75.2-62.6000113.2
274G51.8Low42.4Very low78 Ų78141.6 Ų141.680%0.80480%0.799SS**  trans-73145.2-178.800000113.5
275I43.4Very low42.6Very low167 Ų167142.3 Ų142.386%0.85680%0.797SS**  trans-123.4129.7163.9-49.6178000107.1
276S42.6Very low42.6Very low115 Ų115140.6 Ų140.680%0.80479%0.788SS**  trans-70.5150.7-166.8-61.50000114.7
277M45.2Very low42.2Very low185 Ų185142.6 Ų142.691%0.91180%0.801SS**  trans-55.1134158.1-70.2-100.3-72.600111
278A32.7Very low41.7Very low106 Ų106142.1 Ų142.188%0.87681%0.811SS**  trans-137.3134.5158.200000107.7
279S38.7Very low41.5Very low102 Ų102136.7 Ų136.771%0.71381%0.811SS**  trans-125.6133.8-176.7-178.50000109.6
280E33.1Very low40.8Very low187 Ų187135.2 Ų135.287%0.87482%0.819SS**  trans-128101.7158.6-72.9-165.2151.300108.7
281C41.8Very low39.8Very low118 Ų118132.6 Ų132.680%0.79782%0.818SS**  trans-131128.1162.1-74.50000106.3
282F32.9Very low39.4Very low196 Ų196134.7 Ų134.786%0.8683%0.826SS**  trans-73.4155.8-176.1-94.3-101.8000112.9
283D40.8Very low38.8Very low150 Ų150136.8 Ų136.880%0.80282%0.824SS**  trans-59145.5-175.8-54.3-111.8000115.3
284D35.9Very low38.5Very low170 Ų170133.8 Ų133.891%0.90982%0.816SS**  trans-154.4133.3148.6-117-36.8000110
285E46.5Very low38Very low171 Ų171138.3 Ų138.380%0.79982%0.816SS**  trans-158146.6-170-134.4-100.9148.200109.6
286P48.8Very low37.7Very low84 Ų84139.2 Ų139.255%0.54582%0.817SS.*  cis-137.3-176.9-3543-31000115
287C37.5Very low37.6Very low132 Ų132140.5 Ų140.589%0.89282%0.815SS**  trans65118.9148.3-76.10000121.2
288G31.3Very low37.2Very low85 Ų85136.6 Ų136.688%0.87681%0.806SS**  trans168.861.6166.200000113.7
289G32.8Very low37.6Very low83 Ų83139.5 Ų139.586%0.85680%0.801SS**  trans-88.2165.2-167.900000116.9
290S32.4Very low37.9Very low120 Ų120140 Ų14084%0.83980%0.8SS**  trans-144.3143.6158.1560000110.1
291S35.6Very low37.9Very low123 Ų123142.8 Ų142.886%0.8680%0.803SS**  trans-85.3165.3-176.3-165.20000112.7
292F33.5Very low38.1Very low178 Ų178142.7 Ų142.778%0.78180%0.803SS**  trans-128130.6178.359.4-96.3000113.6
293M38.1Very low38.3Very low163 Ų163139.7 Ų139.780%0.80380%0.801SS**  trans64.4162.5153.1-56.5-60.292.400121.2
294S33.2Very low37.8Very low97 Ų97137.7 Ų137.768%0.67880%0.799SS**  trans69.4145.8167.7-63.10000118.1
295E41Very low37.6Very low172 Ų172135.3 Ų135.380%0.80480%0.796SS**  cis-164.3168.1-25.7-122.6154.4144.500110.5
296E37.5Very low37.2Very low186 Ų186135.9 Ų135.987%0.86980%0.803SS**  trans48.3117.9150.9-156.1153.473.900124.4
297D40.4Very low36.3Very low142 Ų142135.2 Ų135.276%0.75981%0.811SS**  trans66.2157.2137.5-159.550.2000125.7
298S36.6Very low36.2Very low104 Ų104134.8 Ų134.873%0.72781%0.81SS**  trans113.3153.9140.9-105.50000120.9
299E42.2Very low36.5Very low166 Ų166137.1 Ų137.178%0.77681%0.808SS**  trans-100.4151.6-146.4-76.2-170.282.900118
300T43.4Very low37.6Very low113 Ų113138.4 Ų138.469%0.69380%0.801SS**  trans44.3131.5149.168.30000121.8
301R32.8Very low37.4Very low246 Ų246138.3 Ų138.393%0.92880%0.8SS**  -175.3148.5110.1-101.2168.1179.2-160.2-1.5113.6
302S47.3Very low37.5Very low116 Ų116137.8 Ų137.881%0.81180%0.797SS**  trans-113.5149.4180-44.60000111.4
303T36.2Very low38.6Very low132 Ų132134.2 Ų134.281%0.8179%0.791SS**  trans-163.6138.615138.30000113.5
304S31.4Very low38.2Very low109 Ų109135.4 Ų135.476%0.76280%0.795SS**  trans64.2146.7150.3600000120
305S32Very low38.3Very low120 Ų120139.2 Ų139.284%0.83980%0.802SS**  cis-156.9179-4.1-113.80000113
306L37Very low38Very low182 Ų182138.1 Ų138.195%0.95380%0.801SS**  trans-110.8164.3-161.9-60.5167000115.7
307G30.9Very low37.6Very low70 Ų70136 Ų13672%0.72280%0.795SS**  trans124.4146.7153.900000115.9
308S35.5Very low37.3Very low124 Ų124134.1 Ų134.187%0.86779%0.792SS**  cis-160.1164-5.8-77.30000111.9
309T36Very low37.7Very low134 Ų134135 Ų13582%0.82280%0.795SS**  trans-89.2-164.316855.40000109.8
310P56Low37.4Very low109 Ų109132.8 Ų132.871%0.70880%0.797SS**  cis-142.6-179.61.243.6-24.7000117.3
311S29.2Very low37.7Very low118 Ų118132.7 Ų132.783%0.82580%0.798SS**  163.6161.1124.9-73.10000115.3
312S37.2Very low37.4Very low113 Ų113130.6 Ų130.679%0.7980%0.796SS**  trans-129.4-164.3173.4-149.20000107.3
313P56.2Low36.8Very low102 Ų102129.5 Ų129.566%0.66279%0.794SS**  cis-138.9-173.8-5.238.1-16.1000115.6
314Q31.4Very low36.6Very low189 Ų189126.4 Ų126.488%0.88379%0.789SS**  159.6152.2126.3-85.6-175.8-5.400114.2
315E33.5Very low36.7Very low176 Ų176127.1 Ų127.182%0.82279%0.794SS**  trans-116.9163.9171.6-67.4-166.4123.700111.5
316L36Very low37Very low150 Ų150126.3 Ų126.379%0.78579%0.788SS**  172.8149.4115.2-93172000115.7
317L28.4Very low37.1Very low141 Ų141122.9 Ų122.974%0.73878%0.78SS**  trans74.994149.3-69164.5000124.1
318S33.5Very low37.4Very low102 Ų102124.8 Ų124.871%0.71378%0.782SS**  66.4168.711874.80000122.8
319P46.6Very low37.5Very low122 Ų122123.5 Ų123.579%0.79277%0.773SS**  cis-133.4-175.5-46.437-19000115.4
320C34.2Very low37.5Very low121 Ų121123.3 Ų123.382%0.81878%0.777SS**  trans-67.7-179.9174.6-720000114.5
321P50.5Low36.4Very low110 Ų110121.5 Ų121.571%0.71478%0.778SS**  cis-152.1179.225.146-25.8000119.8
322F26.5Very low36.7Very low202 Ų202124.2 Ų124.289%0.88678%0.78SS**  -170159.2117.9-125.3-90.8000113.3
323A34.7Very low36.7Very low93 Ų93123.4 Ų123.477%0.76977%0.774SS**  trans-153.7167.917400000111.2
324G31.3Very low35.9Very low68 Ų68123.8 Ų123.870%0.70178%0.779SS**  trans-170.5140.7175.100000116.9
325S33.9Very low36.1Very low123 Ų123119.5 Ų119.586%0.8677%0.77SS**  trans73.8139.4168.6-49.50000118.7
326S38.2Very low36Very low103 Ų103118.5 Ų118.572%0.7277%0.77SS**  cis-168.3145.7-17.9-89.30000110.4
327S39.6Very low36.1Very low111 Ų111117 Ų11778%0.77677%0.771SS**  trans34.6146.314860.60000122.3
328S36.9Very low37.2Very low109 Ų109116.2 Ų116.276%0.76277%0.774SS**  cis169.1163.4-0.349.90000107.8
329S37.3Very low37.5Very low98 Ų98116.5 Ų116.569%0.68578%0.777SS**  cis-179.4153.3-14.750.20000109.5
330S36.3Very low37.9Very low130 Ų130116.7 Ų116.791%0.90978%0.778SS**  trans63159178.567.60000115.9
331G33.4Very low38.2Very low70 Ų70117.1 Ų117.172%0.72278%0.777SS**  cis154.5157.5-1.100000109.9
332M35.7Very low38.6Very low175 Ų175117.2 Ų117.286%0.86278%0.778SS**  cis-158.7169.1-2.7-70.3173.953.200110.4
333S36.6Very low38.8Very low97 Ų97113.5 Ų113.568%0.67878%0.776SS**  trans75.9127.2153.1-54.50000122.7
334S38.6Very low38.8Very low109 Ų109114.4 Ų114.476%0.76278%0.777SS**  trans39.4147.8139.261.30000121.4
335S36.1Very low39.1Very low99 Ų99116.7 Ų116.769%0.69278%0.783SS**  cis-176.7174.41524.30000108.3
336D31.3Very low39.2Very low155 Ų155115.8 Ų115.883%0.82978%0.776SS**  cis-161-177.9-12.8-105.8-42.6000110.2
337C37.7Very low39Very low119 Ų119116.6 Ų116.680%0.80478%0.782SS**  trans-92.8-175.9176.1-660000112.6
338P53Low38.7Very low124 Ų124117.9 Ų117.981%0.80579%0.785SS**  cis-142.6-172.27.844.6-24.6000117.6
339S39.2Very low38.5Very low109 Ų109118.2 Ų118.276%0.76279%0.788SS**  trans-78172.4165.8-38.80000112.8
340P54.7Low38.5Very low125 Ų125119.1 Ų119.181%0.81279%0.794SS**  -152.7-171.480.141-20.2000116.9
341T39.7Very low38.9Very low131 Ų131119.5 Ų119.580%0.80479%0.793SS**  trans-96.1-162.3174.3560000110.6
342P59.3Low38.7Very low112 Ų112120.3 Ų120.373%0.72779%0.793SS**  cis-141.1-172.5-1.245-26.5000116.2
343S31.1Very low38.6Very low123 Ų123119.9 Ų119.986%0.8679%0.793SS**  trans-176163.3144-84.10000112.7
344S35.9Very low38.3Very low112 Ų112121.5 Ų121.578%0.78380%0.799SS**  trans-142178.2-164.3-55.30000114.7
345S35.9Very low37.9Very low117 Ų117120.9 Ų120.982%0.81880%0.795SS**  trans79.7157.3163.7830000118.1
346S35.9Very low37.8Very low103 Ų103127.3 Ų127.372%0.7280%0.803SS**  cis-178.4144-34.655.40000110.1
347S34Very low38.3Very low121 Ų121125.1 Ų125.185%0.84680%0.798SS**  trans174151136.640.80000115.8
348T35.1Very low37.9Very low137 Ų137124.9 Ų124.984%0.8480%0.796SS**  trans-59.1151.5179.11.50000117.2
349S31.9Very low36.8Very low117 Ų117124.9 Ų124.982%0.81880%0.799SS**  -175.6152.312840.20000113.7
350S37.9Very low36.3Very low116 Ų116127.7 Ų127.781%0.81181%0.805SS**  trans-131.5143.2163-570000107.3
351P44Very low35.2Very low139 Ų139129.4 Ų129.490%0.90381%0.807SS**  -143.4-146.3100.738.7-21.7000112.4
352A30Very low35Very low86 Ų86130.3 Ų130.371%0.71181%0.806SS**  trans-122.6157.8-148.700000117.6
353L32.5Very low33.8Very low167 Ų167129.8 Ų129.887%0.87480%0.803SS**  trans75.3155.7154.3-68.9171.8000121.8
354V30.6Very low33.9Very low131 Ų131129 Ų12979%0.79480%0.797SS**  trans97.8109.4157.9-169.70000119.7
355S29.7Very low33.9Very low96 Ų96129.1 Ų129.167%0.67179%0.793SS**  trans84.1110.5147.7-72.90000123.9
356R34Very low33.8Very low233 Ų233129.9 Ų129.988%0.87979%0.793SS**  trans73.3155.4132.9-67.2-177.8170.3-153.5-2119.5
357P43.2Very low33.9Very low109 Ų109128.9 Ų128.971%0.70879%0.786SS**  cis-137.7-157.7-42.939.1-20.7000111.5
358C29.2Very low34.4Very low115 Ų115128.7 Ų128.778%0.77778%0.775SS**  trans74.383.6163.3-64.20000118.7
359S28.4Very low34.5Very low123 Ų123126.8 Ų126.886%0.8677%0.767SS**  -143.3126.2123.1-810000108.9D361S359-D361 PolarHBondContact O-N 3.45Å
360L30.1Very low34.8Very low169 Ų169126.4 Ų126.489%0.88576%0.756SS**  trans-84.989.8178.7-77169.4000109L362L360-L362 PolarHBondContact O-N 3.36Å
361D29.9Very low35Very low161 Ų161128.7 Ų128.786%0.86175%0.752SS**PPolyproline II helixtrans-71.5116.7171.5-155.513.4000109S359S359-D361 PolarHBondContact O-N 3.45Å
362L35.4Very low35Very low149 Ų149125.3 Ų125.378%0.7874%0.742SS**PPolyproline II helixtrans-89124.7-175.5-72.8172.9000109.2L360 S364L360-L362 PolarHBondContact O-N 3.36Å; L362-S364 PolarHBondContact O-N 3.48Å
363P35.8Very low35.6Very low102 Ų102128.2 Ų128.266%0.66275%0.745SS**PPolyproline II helixtrans-61139.9-177.624.3-33.4000111.7
364S32.8Very low36Very low106 Ų106127.2 Ų127.274%0.74174%0.739SS**PPolyproline II helixtrans-47.4143.6-174.1-172.40000114.2L362 V366L362-S364 PolarHBondContact O-N 3.48Å; S364-V366 PolarHBondContact O-N 2.81Å; S364-V366 VanDerWaalsContact O-N 3.13Å
365T35.1Very low36.1Very low114 Ų114125.8 Ų125.870%0.69974%0.735SS**  trans-63.7110.7178.353.80000111.7
366V33.5Very low37Very low133 Ų133126.5 Ų126.581%0.80674%0.737SS**  trans-63.3133.9160.9175.50000108.3S364 L368S364-V366 PolarHBondContact O-N 2.81Å; S364-V366 VanDerWaalsContact O-N 3.13Å; V366-L368 PolarHBondContact O-N 3.32Å
367S37.9Very low37.1Very low83 Ų83122.2 Ų122.258%0.5874%0.736SS**  trans-65.6120.8-174.5-175.50000111.4S369S367-S369 PolarHBondContact O-N 2.97Å; S367-S369 PolarHBondContact OG-OG 2.9Å
368L44.7Very low37.1Very low116 Ų116124.5 Ų124.561%0.60774%0.742SS**THydrogen-bonded Turntrans-70.631.9177.9-65.7170.7000113.9V366V366-L368 PolarHBondContact O-N 3.32Å
369S38.8Very low37.8Very low97 Ų97121.8 Ų121.868%0.67873%0.733SS**THydrogen-bonded Turntrans-98.7-19.2-177.3-52.40000112.9S367S367-S369 PolarHBondContact O-N 2.97Å; S367-S369 PolarHBondContact OG-OG 2.9Å
370D36.4Very low38.6Very low110 Ų110122.3 Ų122.359%0.58873%0.734SS**  trans-95.2-1.5-160.9-133.323.7000115.4G372D370-G372 PolarHBondContact O-N 3.32Å
371F42.1Very low39.1Very low164 Ų164125.7 Ų125.772%0.71974%0.735SS**THydrogen-bonded Turntrans-65.64.3177.1-92.2-84.7000114.9K206K206-F371 HydrophobicContact CD-CZ 4.03Å
372G44.6Very low39.5Very low68 Ų68123.1 Ų123.170%0.70173%0.729SS**THydrogen-bonded Turntrans-101.2-7.2-175.400000116.5D370D370-G372 PolarHBondContact O-N 3.32Å
373L43.3Very low40Very low147 Ų147125.2 Ų125.277%0.7774%0.735SS**SBendtrans-123.3-7.5-169.2-66176.8000115.7S375L373-S375 PolarHBondContact O-N 2.75Å; L373-S375 VanDerWaalsContact O-N 3.1Å
374I40.1Very low40Very low146 Ų146125.9 Ų125.975%0.74974%0.741SS**  trans-88.877-176.4-47178.5000110.8
375S34.2Very low40.3Very low101 Ų101126.9 Ų126.971%0.70675%0.747SS**  trans-82.4123.2165.7-69.30000110.2L373 V377L373-S375 PolarHBondContact O-N 2.75Å; L373-S375 VanDerWaalsContact O-N 3.1Å; S375-V377 PolarHBondContact O-N 2.86Å; S375-V377 VanDerWaalsContact O-N 3.16Å
376P47Very low40.5Very low111 Ų111125.2 Ų125.272%0.72175%0.753SS**  trans-74107.117529.3-32.5000110.3L378P376-L378 PolarHBondContact O-N 2.98Å; P376-L378 VanDerWaalsContact O-N 3.17Å
377V36.4Very low40.3Very low142 Ų142124 Ų12486%0.86176%0.757SS**  trans-67.6110.3167.7175.40000108.3S375S375-V377 PolarHBondContact O-N 2.86Å; S375-V377 VanDerWaalsContact O-N 3.16Å
378L44.5Very low40.1Very low158 Ų158125.7 Ų125.783%0.82777%0.769SS**  trans-86110.6176-65.3174.6000109.5P376P376-L378 PolarHBondContact O-N 2.98Å; P376-L378 VanDerWaalsContact O-N 3.17Å
379G42.6Very low39.6Very low58 Ų58126 Ų12660%0.59878%0.781SS**PPolyproline II helixtrans-68149.1165.400000111.2
380P44.7Very low40.4Very low133 Ų133126.8 Ų126.886%0.86478%0.784SS**PPolyproline II helixtrans-65.5140.117728.3-34.2000110.9
381R40.9Very low40.2Very low241 Ų241130.3 Ų130.391%0.90980%0.797SS**PPolyproline II helixtrans-81.3132.3171-61.3176.370.8179.12.4108.3
382S38.2Very low40Very low106 Ų106127.7 Ų127.774%0.74180%0.798SS**PPolyproline II helixtrans-72.9141169.942.30000110.9
383E46.9Very low39.6Very low194 Ų194131.5 Ų131.591%0.90780%0.802SS**PPolyproline II helixtrans-95.9123.1167.3-60.7-177.6151.600107.6
384C35.3Very low39.4Very low116 Ų116131.6 Ų131.678%0.78480%0.802SS**  trans-128131.8176.5-74.30000110.5
385S40.3Very low39.3Very low126 Ų126132 Ų13288%0.88180%0.801SS**  trans-48.3149.6-174.6-48.20000116
386G37.3Very low39.7Very low80 Ų80137.7 Ų137.783%0.82581%0.807SS**  trans-85.3-177.7166.900000113.6
387A30.8Very low39.2Very low107 Ų107135.7 Ų135.788%0.88481%0.807SS**  trans-136.8149.8170.800000110.1
388S34Very low39.3Very low118 Ų118135.7 Ų135.783%0.82580%0.802SS**  trans-90.8159.6-176.6-52.90000112.9
389S33.1Very low39Very low122 Ų122139.2 Ų139.285%0.85380%0.804SS**  trans-152.8142.4134.7-89.20000110.3
390P56.6Low38.8Very low115 Ų115140 Ų14075%0.74781%0.806SS**  trans-106.7166.4-179.940.5-33.9000113.6
391E30.8Very low38.6Very low183 Ų183143.4 Ų143.486%0.85581%0.81SS**  trans-157.5173140-153.867.1110.700108.6
392C39.5Very low38.2Very low110 Ų110135.3 Ų135.374%0.74380%0.801SS**  trans-105.4-161.7-165-66.30000114.9
393D35.9Very low38.1Very low147 Ų147134.9 Ų134.979%0.78680%0.804SS**  trans70.2137.6178.2-70.9-5.1000116.3
394L37.6Very low37.6Very low149 Ų149134.6 Ų134.678%0.7880%0.803SS**  cis-156.3161.5-3.2-103.9161.1000106.2
395E37.8Very low37.7Very low154 Ų154133 Ų13372%0.7281%0.806SS**  cis-152.5-159.47.1-164.5-131.264.800108.5G397E395-G397 PolarHBondContact OE1-N 3.32Å
396R43.2Very low37.4Very low221 Ų221133.7 Ų133.783%0.83480%0.8SS**  trans-154.4101.2162.2-179.4-173.4-76-140-2.4111.5
397G35.9Very low37.3Very low70 Ų70136.3 Ų136.372%0.72279%0.794SS**  trans-92.8121.9169.300000111.6E395E395-G397 PolarHBondContact OE1-N 3.32Å
398D38.7Very low37.5Very low142 Ų142137.1 Ų137.176%0.75978%0.784SS**  trans-115.8124.9-176.7-174.4-0.4000110.7
399R38.9Very low37.5Very low231 Ų231138.5 Ų138.587%0.87278%0.782SS**  trans-167.1109.7152.3-154.5161.9-168.385.42.4116
400A38.7Very low37.5Very low76 Ų76136.8 Ų136.863%0.62878%0.775SS**  trans27.1159.5133.500000124.8
401E39.7Very low37.2Very low203 Ų203136.7 Ų136.795%0.94978%0.775SS**  trans70.9140.9171.2-57.5-176.5140.400115.9
402G33.9Very low37.3Very low71 Ų71135.3 Ų135.373%0.73278%0.779SS**  cis175.1-157.1-1.300000111.1
403A35.4Very low36.9Very low97 Ų97133.3 Ų133.380%0.80278%0.777SS**  trans77.4111.5168.700000119.5
404E37.2Very low36.8Very low188 Ų188134 Ų13488%0.87978%0.78SS**  trans-53.4165.3169.947.7-100.355.900118.8
405G37.4Very low36.6Very low82 Ų82132.5 Ų132.585%0.84578%0.777SS**  trans-174.8106169.700000112.4
406D33Very low36.3Very low141 Ų141132.5 Ų132.575%0.75478%0.781SS**  trans-117137.1-161.2-159.442000113.1
407L36.3Very low35.7Very low135 Ų135126.5 Ų126.571%0.70778%0.778SS**  trans54.8160.8158.2-62.1175.7000119.3
408D33Very low35.3Very low125 Ų125130.1 Ų130.167%0.66879%0.786SS**  cis-155.7-179.3-2.3-141.5-32.6000112.6
409N34.5Very low35.1Very low146 Ų146128.7 Ų128.778%0.78179%0.788SS**  trans82.8150.2156.8-83.8-66.5000121
410A34.2Very low34.8Very low87 Ų87124.6 Ų124.672%0.71978%0.783SS**  trans-150.4-155-168.800000108.9
411P49.1Very low34.5Very low113 Ų113126.2 Ų126.273%0.73479%0.785SS**  cis-127.2165-30.937.9-24.7000112.9
412T34Very low34.4Very low154 Ų154125.8 Ų125.895%0.94578%0.78SS**  trans-164.7144147.6-3.60000113.4
413G31.6Very low34.5Very low68 Ų68132 Ų13270%0.70178%0.782SS**  trans98.295.4154.200000118.3
414N32.2Very low34.5Very low161 Ų161133.2 Ų133.286%0.86179%0.785SS**  trans26.5140.1134.8-64.51.1000120.6
415V33.7Very low34.4Very low118 Ų118133 Ų13372%0.71578%0.781SS**  cis165.1142.3-8.51220000105.6
416I32.4Very low34.5Very low154 Ų154132.8 Ų132.879%0.7977%0.767SS**  trans67.497167.5-67.5161.7000118.9
417A30.1Very low34.9Very low95 Ų95132.1 Ų132.179%0.78576%0.762SS**  trans10.9134.9133.600000121.6
418T28.4Very low34.9Very low145 Ų145132.8 Ų132.889%0.8976%0.762SS**  trans-115.3111.5158430000110.8
419S33.5Very low35.2Very low112 Ų112129.5 Ų129.578%0.78375%0.752SS**  trans-88.8142.6174.352.70000111.7
420N33.5Very low35.9Very low145 Ų145131.4 Ų131.478%0.77575%0.748SS**  trans-62135.4179.8-112.1-54.3000111.6
421T31.8Very low36.3Very low111 Ų111133.5 Ų133.568%0.68174%0.741SS**  trans-146.390.4154.9-39.30000110.8R423T421-R423 PolarHBondContact O-N 3.09Å
422K37Very low35.8Very low194 Ų194131.4 Ų131.484%0.84373%0.73SS**  trans-64.7116.6170.5-68.2176.8179.5175.30109.1
423R36.3Very low36Very low201 Ų201132.9 Ų132.976%0.75872%0.723SS**  trans-107.2112.9165.3-68.6-169.1-174.4-1763.6109.4T421 F425T421-R423 PolarHBondContact O-N 3.09Å; R423-F425 HydrophobicContact CB-CD2 4.46Å; R423-F425 HydrophobicContact CB-CE2 4.06Å; R423-F425 WeakPolarHBondContact O-CD2 3.31Å; R423-F425 PolarHBondContact O-N 3.35Å
424S35.4Very low36.3Very low123 Ų123136.8 Ų136.886%0.8673%0.727SS**  trans-71.6102169.835.40000109.7S426S424-S426 PolarHBondContact O-N 3.11Å
425F34.8Very low36.3Very low183 Ų183135.2 Ų135.280%0.80372%0.719SS**  trans-76.9111.2171.1-75.2-87.5000109.6R423R423-F425 HydrophobicContact CB-CD2 4.46Å; R423-F425 HydrophobicContact CB-CE2 4.06Å; R423-F425 WeakPolarHBondContact O-CD2 3.31Å; R423-F425 PolarHBondContact O-N 3.35Å
426S39.6Very low36.4Very low78 Ų78137.5 Ų137.555%0.54573%0.726SS.*  trans-68.7147.5-179.256.90000112.3S424 E428 A429S424-S426 PolarHBondContact O-N 3.11Å; S426-E428 PolarHBondContact O-N 3.38Å; S426-A429 PolarHBondContact O-N 3.21Å
427L40.5Very low36.6Very low126 Ų126141.8 Ų141.866%0.6673%0.732SS**THydrogen-bonded Turntrans-62.7-27.1178.8-78165.6000112.9A429 R430L427-A429 PolarHBondContact O-N 3.4Å; L427-R430 WeakPolarHBondContact O-CB 3.32Å; L427-R430 PolarHBondContact O-N 3.45Å
428E38.2Very low36.9Very low150 Ų150148.1 Ų148.170%0.70174%0.736SS**Hα-helixtrans-46.7-44.1174.4-154.559.8-141.900112.7S426 R430 F431S426-E428 PolarHBondContact O-N 3.38Å; E428-R430 PolarHBondContact O-N 3.02Å; E428-F431 PolarHBondContact O-N 3.12Å
429A37.9Very low37.2Very low56 Ų56146.6 Ų146.646%0.46373%0.728SS.*Hα-helixtrans-66.9-9.3-178.800000114.1S426 L427 S432S426-A429 PolarHBondContact O-N 3.21Å; L427-A429 PolarHBondContact O-N 3.4Å; A429-S432 PolarHBondContact O-OG 3.12Å
430R49.2Very low37Very low185 Ų185152.8 Ų152.870%0.69873%0.734SS**Hα-helixtrans-98.5-22.4177.6-54.9-171.374.9175.81.9113.2L427 E428L427-R430 WeakPolarHBondContact O-CB 3.32Å; L427-R430 PolarHBondContact O-N 3.45Å; E428-R430 PolarHBondContact O-N 3.02Å
431F42.7Very low37.1Very low131 Ų131152.4 Ų152.458%0.57574%0.737SS**Hα-helixtrans-79.2-26.9176.6-79.5-82.2000113.2E428 F433 L434E428-F431 PolarHBondContact O-N 3.12Å; F431-F433 PolarHBondContact O-N 2.77Å; F431-L434 PolarHBondContact O-N 3.42Å
432S37.9Very low37Very low70 Ų70149.9 Ų149.949%0.4973%0.733SS.*G310 helixtrans-56.7-31.5176.860.20000113.8A429 L434 N435A429-S432 PolarHBondContact O-OG 3.12Å; S432-L434 PolarHBondContact O-N 3.39Å; S432-N435 PolarHBondContact O-N 3.39Å
433F38.8Very low36.8Very low185 Ų185147.8 Ų147.881%0.81173%0.731SS**G310 helixtrans-72-6.7-179.3-83.4-84.7000115.5F431F431-F433 PolarHBondContact O-N 2.77Å
434L39.2Very low36.7Very low149 Ų149144.3 Ų144.378%0.7873%0.732SS**G310 helixtrans-106-7.9174.3-65.7176.8000113.5F431 S432 L436F431-L434 PolarHBondContact O-N 3.42Å; S432-L434 PolarHBondContact O-N 3.39Å; L434-L436 PolarHBondContact O-N 3.29Å
435N32.2Very low36.8Very low129 Ų129147.2 Ų147.269%0.6973%0.73SS**  trans-8499.2-178.5-87.3-61.5000112S432 R437S432-N435 PolarHBondContact O-N 3.39Å; N435-R437 PolarHBondContact O-N 3.21Å
436L34.4Very low36.8Very low166 Ų166146.2 Ų146.287%0.86973%0.732SS**  trans-70.495.5174.3-136.977.9000110.1L434 R438L434-L436 PolarHBondContact O-N 3.29Å; L436-R438 PolarHBondContact O-N 3.16Å
437R36.8Very low36.4Very low243 Ų243152.2 Ų152.292%0.91775%0.749SS**  trans-58.197.1-177.9-167.9178.8-168.3173.74.3111.3N435N435-R437 PolarHBondContact O-N 3.21Å
438R37.4Very low36.2Very low229 Ų229155.5 Ų155.586%0.86476%0.761SS**  trans-55.8127.8178.8-174.9-175.2-73.4-177.2-1.5109.9L436 R440L436-R438 PolarHBondContact O-N 3.16Å; R438-R440 PolarHBondContact O-N 2.77Å
439P34.1Very low35.9Very low112 Ų112153.6 Ų153.673%0.72776%0.764SS**  trans-59.6126.8172.1-24.134.6000110.7V441P439-V441 PolarHBondContact O-N 2.84Å
440R30.1Very low35.7Very low242 Ų242156.3 Ų156.391%0.91378%0.778SS**  trans-70.7115.8171.7-172.6175.1-172.7153.71.4107.6R438 G442R438-R440 PolarHBondContact O-N 2.77Å; R440-G442 PolarHBondContact O-N 2.85Å; R440-G442 VanDerWaalsContact O-N 3.11Å
441V34.5Very low35.3Very low138 Ų138152.9 Ų152.984%0.83678%0.78SS**  trans-62.2115.3175.7178.20000108P439P439-V441 PolarHBondContact O-N 2.84Å
442G29.9Very low34.9Very low57 Ų57155.5 Ų155.559%0.58879%0.794SS**  trans-71.5126.1176.200000109.9R440 T444R440-G442 PolarHBondContact O-N 2.85Å; R440-G442 VanDerWaalsContact O-N 3.11Å; G442-T444 PolarHBondContact O-N 2.94Å
443N33.2Very low34.6Very low150 Ų150162.1 Ų162.180%0.80281%0.814SS**  trans-77.788.4-176.8-166.114.8000110.5K445N443-K445 PolarHBondContact O-N 3.26Å
444T33.2Very low34.3Very low128 Ų128159.4 Ų159.479%0.78581%0.813SS**  trans-72.591.5178.848.70000110.7G442G442-T444 PolarHBondContact O-N 2.94Å
445K38.3Very low34.1Very low185 Ų185161.2 Ų161.280%0.80482%0.817SS**  trans-61.9141.6166.3-77.4-170.6173.3-174.20110.4N443N443-K445 PolarHBondContact O-N 3.26Å
446N33.9Very low34.8Very low161 Ų161160.6 Ų160.686%0.86182%0.82SS**  trans-55.7141.1170.4-64.1-21.6000111.1
447K32.8Very low34.8Very low205 Ų205156 Ų15689%0.89181%0.813SS**  trans-151.1109.3154.5-142.3178.1-173.7-174.70110.1
448E35.8Very low34.7Very low195 Ų195153.6 Ų153.691%0.91181%0.812SS**  trans-70.6134.6171-64.4166.4110.400109.6
449S30.9Very low34.8Very low110 Ų110149.5 Ų149.577%0.76981%0.813SS**  trans-163.8103.1162.5-173.10000109.1
450C33.5Very low35.2Very low113 Ų113150.6 Ų150.676%0.76482%0.817SS**  trans-80.3147162.8-173.30000108.7
451P41.3Very low35.6Very low113 Ų113145.8 Ų145.873%0.73482%0.815SS**  trans-125138.9136.734.8-28.5000112
452Q34.9Very low36.2Very low186 Ų186146.8 Ų146.887%0.86981%0.814SS**  trans-63.3152.1170.2-62.6158.1-49.900110.3
453K31.3Very low36.8Very low208 Ų208150.7 Ų150.790%0.90483%0.826SS**  trans-128.9120.4161.6-163.1176.9-176.5-174.90109.4
454T33.7Very low37.5Very low129 Ų129156.3 Ų156.379%0.79184%0.844SS**PPolyproline II helixtrans-85.6141.8-17829.60000112.1
455E33.5Very low37.7Very low186 Ų186157.8 Ų157.887%0.86985%0.847SS**PPolyproline II helixtrans-78.5130.1167.5-75.3-82.2113.600110.4
456P47.4Very low37.7Very low117 Ų117156.3 Ų156.376%0.7685%0.849SS**PPolyproline II helixtrans-94.3122.5161.733.6-27.1000110.3
457G34.3Very low37.9Very low70 Ų70156.1 Ų156.172%0.72285%0.848SS**PPolyproline II helixtrans-81.6154.7-174.400000115.6
458Q35.4Very low38.2Very low191 Ų191153.2 Ų153.289%0.89385%0.846SS**  trans45.5113.3151.9-65.1-178.6-15.100119.6
459T39.3Very low38.3Very low144 Ų144150.6 Ų150.688%0.88384%0.842SS**  trans-119.4143.314443.40000110.2
460V41.2Very low38.8Very low134 Ų134153.3 Ų153.381%0.81285%0.847SS**  trans-94.4133.5-174.7174.70000110.3
461V39.1Very low39.2Very low142 Ų142156.1 Ų156.186%0.86185%0.853SS**  trans-133127.6160.7-177.30000109.3
462L46.7Very low39Very low158 Ų158159.5 Ų159.583%0.82786%0.862SS**  trans-108.8134.7176.4179.385.2000108.4
463V42.9Very low39.4Very low139 Ų139157.3 Ų157.384%0.84286%0.861SS**  trans162.8134.2160.2143.40000107.7
464K47.9Very low40.1Very low269 Ų269152.6 Ų152.6100%1.1786%0.857SS**  cis-155.20-14169.3174.2176.7177.50108.4

Retrieved 464 of 464 residues in 673.7 ms (Link to these results)