A0A077Z1C6_TRITR Loading...

RanBP2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A077Z1C6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 285 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
1M30.8Very low39Very low241 Ų241140.3 Ų140.3100%1.18779%0.788SS**  0103.30-77.2-76.8-129.300108.1
2A38.5Very low39.5Very low95 Ų95142.4 Ų142.479%0.78578%0.783SS**  trans35.4109.516300000117
3S40.2Very low40.1Very low112 Ų112136.4 Ų136.478%0.78376%0.763SS**SBend-172.3114.974.7-62.10000108
4L40.1Very low40.2Very low158 Ų158135.6 Ų135.683%0.82776%0.757SS**SBendtrans-179.22.7158-98.6164.2000111.9K6L4-K6 PolarHBondContact O-N 3.42Å
5E41.2Very low41Very low190 Ų190132.2 Ų132.289%0.88874%0.736SS**  trans-84.288.8158.1-73.2-176.3169.700109.7
6K39Very low42Very low189 Ų189133.6 Ų133.682%0.82274%0.742SS**  trans166.458.5152.5-93.8169.9-177-178.20109L4 V8L4-K6 PolarHBondContact O-N 3.42Å; K6-V8 PolarHBondContact O-N 3.2Å; K6-V8 VanDerWaalsContact O-N 3.17Å
7I41.4Very low43.3Very low155 Ų155137.6 Ų137.680%0.79575%0.75SS**  trans-75.598.5144.8-60.1176.5000103.5G9I7-G9 PolarHBondContact O-N 3.07Å; I7-G9 VanDerWaalsContact O-N 3.12Å
8V36.1Very low44.2Very low91 Ų91133.9 Ų133.955%0.55273%0.732SS**  trans-57114.7-176.4-175.10000107.4K6 S10K6-V8 PolarHBondContact O-N 3.2Å; K6-V8 VanDerWaalsContact O-N 3.17Å; V8-S10 WeakPolarHBondContact CG1-OG 3.37Å; V8-S10 PolarHBondContact O-N 3Å
9G38.7Very low45.7Very low72 Ų72132.5 Ų132.574%0.74272%0.724SS**THydrogen-bonded Turntrans-66.229.3172.800000114I7I7-G9 PolarHBondContact O-N 3.07Å; I7-G9 VanDerWaalsContact O-N 3.12Å
10S39.6Very low46.9Very low70 Ų70133 Ų13349%0.4972%0.715SS.*THydrogen-bonded Turntrans-100.5-12.5179.270.60000113.7V8 F12V8-S10 WeakPolarHBondContact CG1-OG 3.37Å; V8-S10 PolarHBondContact O-N 3Å; S10-F12 VanDerWaalsContact C-N 3.34Å
11E44Very low48Very low170 Ų170137 Ų13779%0.79472%0.721SS**SBendtrans-76.1-21178.7-77-172.3167.500113.3
12F44.5Very low49.9Very low166 Ų166132 Ų13273%0.72869%0.694SS**SBendtrans-104.35.2179.8-61.8-76.4000114.2S10 N14S10-F12 VanDerWaalsContact C-N 3.34Å; F12-N14 VanDerWaalsContact C-N 3.29Å; F12-N14 PolarHBondContact O-N 3.32Å
13A46.8Very low51.4Low64 Ų64134.6 Ų134.653%0.52968%0.684SS.*THydrogen-bonded Turntrans-82.80-176.200000114.3
14N41.6Very low52.9Low126 Ų126134.3 Ų134.367%0.67467%0.673SS**THydrogen-bonded Turntrans-122.339.6-176.7-62-44.9000112.8F12 D16F12-N14 VanDerWaalsContact C-N 3.29Å; F12-N14 PolarHBondContact O-N 3.32Å; N14-D16 PolarHBondContact O-N 2.85Å
15D52.9Low54.3Low84 Ų84133 Ų13345%0.44966%0.661SS.*G310 helixtrans-74.514.4168.2-84.6-17.6000113.1K17 V18D15-K17 PolarHBondContact O-N 3.43Å; D15-V18 PolarHBondContact O-N 3.19Å; D15-V18 VanDerWaalsContact O-N 3.12Å
16D56.3Low55.5Low154 Ų154129.6 Ų129.682%0.82465%0.648SS**G310 helixtrans-59.8-7.2173.6-67.7-16.1000113.6N14N14-D16 PolarHBondContact O-N 2.85Å
17K64.8Low56.8Low202 Ų202124 Ų12488%0.87863%0.627SS**G310 helixtrans-96.4-11179.1-126.4177.3-172.9178.70114.5D15 D19D15-K17 PolarHBondContact O-N 3.43Å; K17-D19 PolarHBondContact O-N 3.14Å
18V58.3Low58Low71 Ų71122.7 Ų122.743%0.4362%0.617SS.*SBendtrans-86.6105.3174.7-177.60000107.6D15 Y20D15-V18 PolarHBondContact O-N 3.19Å; D15-V18 VanDerWaalsContact O-N 3.12Å; V18-Y20 HydrophobicContact CB-CE2 4.4Å; V18-Y20 WeakPolarHBondContact O-CD2 3.27Å; V18-Y20 PolarHBondContact O-N 3.4Å
19D73.1Confident59.3Low107 Ų107125 Ų12557%0.57262%0.617SS**  trans-67.388.1169.9-106.7-37.8000108.7K17 R21 E22 W23K17-D19 PolarHBondContact O-N 3.14Å; D19-R21 PolarHBondContact O-N 2.96Å; D19-E22 HydrophobicContact CB-CB 4.25Å; D19-E22 HydrophobicContact CB-CG 4.25Å; D19-E22 PolarHBondContact O-N 3Å; D19-W23 PolarHBondContact O-N 3.36Å
20Y69.7Low60.7Low142 Ų142125.8 Ų125.856%0.55760%0.604SS**Hα-helixtrans-52-26.2176.8-77.4-87.5000112.1V18 L24V18-Y20 HydrophobicContact CB-CE2 4.4Å; V18-Y20 WeakPolarHBondContact O-CD2 3.27Å; V18-Y20 PolarHBondContact O-N 3.4Å; Y20-L24 WeakPolarHBondContact O-CB 3.39Å; Y20-L24 VanDerWaalsContact O-CG 3.29Å; Y20-L24 WeakPolarHBondContact O-CG 3.46Å; Y20-L24 PolarHBondContact O-N 2.93Å
21R70.7Confident62.1Low219 Ų219126.2 Ų126.283%0.82660%0.601SS**Hα-helixtrans-65.4-44.7172.4-79.7-174.1174.7-157.9-0.3113.4D19 W23 L24 F25D19-R21 PolarHBondContact O-N 2.96Å; R21-W23 VanDerWaalsContact C-N 3.33Å; R21-L24 PolarHBondContact O-N 3.43Å; R21-F25 PolarHBondContact O-N 2.78Å; R21-F25 VanDerWaalsContact O-N 3.08Å
22E71.1Confident63.4Low136 Ų136123.4 Ų123.464%0.63659%0.588SS**Hα-helixtrans-65.7-39.6176.1-79.5-169.4154.300111.1D19 L24 F25 L26D19-E22 HydrophobicContact CB-CB 4.25Å; D19-E22 HydrophobicContact CB-CG 4.25Å; D19-E22 PolarHBondContact O-N 3Å; E22-L24 PolarHBondContact O-N 3.19Å; E22-F25 WeakPolarHBondContact O-CB 3.23Å; E22-F25 PolarHBondContact O-N 3.35Å; E22-F25 VanDerWaalsContact O-N 3.17Å; E22-L26 PolarHBondContact O-N 3.12Å
23W70.4Confident64.4Low148 Ų148119.8 Ų119.856%0.56158%0.576SS**Hα-helixtrans-63.3-43178.3-16972.3000112.4D19 R21 F25 L26 L27D19-W23 PolarHBondContact O-N 3.36Å; R21-W23 VanDerWaalsContact C-N 3.33Å; W23-F25 VanDerWaalsContact C-N 3.32Å; W23-F25 PolarHBondContact O-N 2.87Å; W23-L26 PolarHBondContact O-N 3.23Å; W23-L27 HydrophobicContact CD2-CD1 4.01Å; W23-L27 HydrophobicContact CE3-CD1 3.76Å; W23-L27 HydrophobicContact CH2-CD1 3.7Å; W23-L27 HydrophobicContact CZ2-CD1 3.92Å; W23-L27 HydrophobicContact CZ3-CD1 3.6Å; W23-L27 PolarHBondContact O-N 3.36Å
24L70.5Confident65.5Low107 Ų107122.1 Ų122.156%0.5657%0.574SS**Hα-helixtrans-63.6-36.3173.4-74.3169.9000112.3Y20 R21 E22 L27 Q28Y20-L24 WeakPolarHBondContact O-CB 3.39Å; Y20-L24 VanDerWaalsContact O-CG 3.29Å; Y20-L24 WeakPolarHBondContact O-CG 3.46Å; Y20-L24 PolarHBondContact O-N 2.93Å; R21-L24 PolarHBondContact O-N 3.43Å; E22-L24 PolarHBondContact O-N 3.19Å; L24-L27 PolarHBondContact O-N 2.96Å; L24-Q28 PolarHBondContact O-N 3.47Å
25F69.2Low67Low130 Ų130123.3 Ų123.357%0.5757%0.573SS**Hα-helixtrans-66.5-39.4178-156.5-90.1000112.3R21 E22 W23 Q28 Y29R21-F25 PolarHBondContact O-N 2.78Å; R21-F25 VanDerWaalsContact O-N 3.08Å; E22-F25 WeakPolarHBondContact O-CB 3.23Å; E22-F25 PolarHBondContact O-N 3.35Å; E22-F25 VanDerWaalsContact O-N 3.17Å; W23-F25 VanDerWaalsContact C-N 3.32Å; W23-F25 PolarHBondContact O-N 2.87Å; F25-Q28 PolarHBondContact O-N 3.29Å; F25-Y29 HydrophobicContact CE1-CD2 4.2Å; F25-Y29 HydrophobicContact CE1-CE2 4.29Å; F25-Y29 PolarHBondContact O-N 3.17Å
26L67.1Low67.6Low118 Ų118125.5 Ų125.562%0.61858%0.584SS**Hα-helixtrans-63.4-42.9175.3-75.7167.7000112.2E22 W23 Q28 Y29 D30E22-L26 PolarHBondContact O-N 3.12Å; W23-L26 PolarHBondContact O-N 3.23Å; L26-Q28 VanDerWaalsContact C-N 3.29Å; L26-Q28 PolarHBondContact O-N 3.49Å; L26-Y29 PolarHBondContact O-N 3.44Å; L26-D30 PolarHBondContact O-N 2.72Å
27L66.7Low68.1Low72 Ų72123.8 Ų123.838%0.37758%0.579SS.*Hα-helixtrans-63.6-35.6177.5-72.3170.2000112.4W23 L24 D30 D31W23-L27 HydrophobicContact CD2-CD1 4.01Å; W23-L27 HydrophobicContact CE3-CD1 3.76Å; W23-L27 HydrophobicContact CH2-CD1 3.7Å; W23-L27 HydrophobicContact CZ2-CD1 3.92Å; W23-L27 HydrophobicContact CZ3-CD1 3.6Å; W23-L27 PolarHBondContact O-N 3.36Å; L24-L27 PolarHBondContact O-N 2.96Å; L27-D30 PolarHBondContact O-N 3.1Å; L27-D31 PolarHBondContact O-N 3.08Å
28Q64.9Low67.9Low127 Ų127120.1 Ų120.159%0.59357%0.569SS**Hα-helixtrans-67.2-39.1178.7-147.6170.620.100111.8L24 F25 L26 D30 D31 E32L24-Q28 PolarHBondContact O-N 3.47Å; F25-Q28 PolarHBondContact O-N 3.29Å; L26-Q28 VanDerWaalsContact C-N 3.29Å; L26-Q28 PolarHBondContact O-N 3.49Å; Q28-D30 VanDerWaalsContact C-N 3.34Å; Q28-D30 PolarHBondContact O-N 3.32Å; Q28-D31 PolarHBondContact O-N 3.25Å; Q28-E32 PolarHBondContact O-N 2.88Å; Q28-E32 VanDerWaalsContact O-N 3.12Å
29Y65Low68Low140 Ų140119.1 Ų119.155%0.54957%0.568SS.*Hα-helixtrans-62-40.5174.4-123.7-88.8000112.3F25 L26 D31 E32 L33F25-Y29 HydrophobicContact CE1-CD2 4.2Å; F25-Y29 HydrophobicContact CE1-CE2 4.29Å; F25-Y29 PolarHBondContact O-N 3.17Å; L26-Y29 PolarHBondContact O-N 3.44Å; Y29-D31 VanDerWaalsContact C-N 3.33Å; Y29-D31 PolarHBondContact O-N 3.12Å; Y29-E32 PolarHBondContact O-N 3.44Å; Y29-L33 WeakPolarHBondContact O-CG 3.42Å; Y29-L33 PolarHBondContact O-N 3.2Å
30D68Low67Low88 Ų88119.1 Ų119.147%0.47157%0.574SS.*Hα-helixtrans-64.1-37.5176.6-90.8-11.9000112.4L26 L27 Q28 L33 K34L26-D30 PolarHBondContact O-N 2.72Å; L27-D30 PolarHBondContact O-N 3.1Å; Q28-D30 VanDerWaalsContact C-N 3.34Å; Q28-D30 PolarHBondContact O-N 3.32Å; D30-L33 PolarHBondContact O-N 2.99Å; D30-K34 VanDerWaalsContact O-CG 3.3Å; D30-K34 WeakPolarHBondContact O-CG 3.39Å; D30-K34 PolarHBondContact O-N 3.34Å
31D69.6Low66.3Low80 Ų80119.1 Ų119.143%0.42858%0.583SS.*Hα-helixtrans-72.7-32.8177.5-78.4-12000112.7L27 Q28 Y29 K34 K35L27-D31 PolarHBondContact O-N 3.08Å; Q28-D31 PolarHBondContact O-N 3.25Å; Y29-D31 VanDerWaalsContact C-N 3.33Å; Y29-D31 PolarHBondContact O-N 3.12Å; D31-K34 PolarHBondContact O-N 3.47Å; D31-K34 IonicContact OD1-NZ 3.01Å; D31-K34 PolarHBondContact OD1-NZ 3.1Å; D31-K35 VanDerWaalsContact O-CG 3.31Å; D31-K35 WeakPolarHBondContact O-CG 3.5Å; D31-K35 PolarHBondContact O-N 3.5Å
32E71Confident65.5Low110 Ų110118.1 Ų118.151%0.51458%0.584SS.*Hα-helixtrans-65.9-42.2169.7-70.5-170.7171.300112Q28 Y29 K35 L36Q28-E32 PolarHBondContact O-N 2.88Å; Q28-E32 VanDerWaalsContact O-N 3.12Å; Y29-E32 PolarHBondContact O-N 3.44Å; E32-K35 WeakPolarHBondContact O-CB 3.31Å; E32-K35 PolarHBondContact O-N 3.12Å; E32-L36 PolarHBondContact O-N 2.95Å
33L64.9Low64.8Low90 Ų90117.1 Ų117.147%0.47158%0.583SS.*Hα-helixtrans-61.4-43.6173.3-78.4169.1000111.6Y29 D30 K35 L36 V37Y29-L33 WeakPolarHBondContact O-CG 3.42Å; Y29-L33 PolarHBondContact O-N 3.2Å; D30-L33 PolarHBondContact O-N 2.99Å; L33-K35 VanDerWaalsContact C-N 3.32Å; L33-K35 PolarHBondContact O-N 3.48Å; L33-L36 PolarHBondContact O-N 3.16Å; L33-V37 VanDerWaalsContact O-CG2 3.3Å; L33-V37 WeakPolarHBondContact O-CG2 3.47Å; L33-V37 PolarHBondContact O-N 3.1Å
34K69.9Low64.3Low113 Ų113115.4 Ų115.449%0.49159%0.589SS.*Hα-helixtrans-60.7-40.3173.7-75.2172.4-162154.80111.7D30 D31 V37 N38D30-K34 VanDerWaalsContact O-CG 3.3Å; D30-K34 WeakPolarHBondContact O-CG 3.39Å; D30-K34 PolarHBondContact O-N 3.34Å; D31-K34 PolarHBondContact O-N 3.47Å; D31-K34 IonicContact OD1-NZ 3.01Å; D31-K34 PolarHBondContact OD1-NZ 3.1Å; K34-V37 PolarHBondContact O-N 2.66Å; K34-N38 WeakPolarHBondContact O-CB 3.46Å; K34-N38 PolarHBondContact O-N 3.33Å; K34-N38 PolarHBondContact O-ND2 2.88Å; K34-N38 VanDerWaalsContact O-ND2 3.12Å
35K73.5Confident63.8Low152 Ų152113 Ų11366%0.66158%0.579SS**Hα-helixtrans-65.2-38.5175.9-75.3171.9-174.2172.30112.3D31 E32 L33 N38 A39D31-K35 VanDerWaalsContact O-CG 3.31Å; D31-K35 WeakPolarHBondContact O-CG 3.5Å; D31-K35 PolarHBondContact O-N 3.5Å; E32-K35 WeakPolarHBondContact O-CB 3.31Å; E32-K35 PolarHBondContact O-N 3.12Å; L33-K35 VanDerWaalsContact C-N 3.32Å; L33-K35 PolarHBondContact O-N 3.48Å; K35-N38 CarbonylContact O-C 3.28Å; K35-A39 WeakPolarHBondContact O-CB 3.32Å; K35-A39 PolarHBondContact O-N 2.92Å
36L66Low63.9Low130 Ų130109.2 Ų109.268%0.68157%0.569SS**Hα-helixtrans-66.6-42.4175-81.4163.2000112.2E32 L33 N38 A39E32-L36 PolarHBondContact O-N 2.95Å; L33-L36 PolarHBondContact O-N 3.16Å; L36-N38 VanDerWaalsContact C-N 3.35Å; L36-A39 WeakPolarHBondContact O-CB 3.2Å; L36-A39 PolarHBondContact O-N 3.44Å
37V64.9Low64Low118 Ų118109.9 Ų109.972%0.71557%0.572SS**Hα-helixtrans-67.5-37.8177.3173.10000111.3L33 K34 A39L33-V37 VanDerWaalsContact O-CG2 3.3Å; L33-V37 WeakPolarHBondContact O-CG2 3.47Å; L33-V37 PolarHBondContact O-N 3.1Å; K34-V37 PolarHBondContact O-N 2.66Å; V37-A39 VanDerWaalsContact C-N 3.34Å
38N61.3Low64.3Low125 Ų125109.8 Ų109.867%0.66858%0.578SS**Hα-helixtrans-86-4.9178.5-65.2-27.6000113.4K34 K35 L36K34-N38 WeakPolarHBondContact O-CB 3.46Å; K34-N38 PolarHBondContact O-N 3.33Å; K34-N38 PolarHBondContact O-ND2 2.88Å; K34-N38 VanDerWaalsContact O-ND2 3.12Å; K35-N38 CarbonylContact O-C 3.28Å; L36-N38 VanDerWaalsContact C-N 3.35Å
39A61.6Low64.7Low49 Ų49108.7 Ų108.741%0.40557%0.572SS.*SBendtrans-63.1125.4175.400000107.9K35 L36 V37 L41K35-A39 WeakPolarHBondContact O-CB 3.32Å; K35-A39 PolarHBondContact O-N 2.92Å; L36-A39 WeakPolarHBondContact O-CB 3.2Å; L36-A39 PolarHBondContact O-N 3.44Å; V37-A39 VanDerWaalsContact C-N 3.34Å; A39-L41 PolarHBondContact O-N 2.88Å
40P50.5Low65.1Low107 Ų107104.4 Ų104.470%0.69556%0.559SS**  trans-58.9117.7179.821.3-30000108.1K42P40-K42 VanDerWaalsContact C-N 3.34Å; P40-K42 PolarHBondContact O-N 3.01Å
41L54.7Low65.4Low142 Ų142106.5 Ų106.574%0.74357%0.568SS**  trans-51.299.4172.6-85.7127.9000107.9A39 N43 T44A39-L41 PolarHBondContact O-N 2.88Å; L41-N43 PolarHBondContact O-N 3.42Å; L41-T44 HydrophobicContact CB-CG2 4.23Å; L41-T44 PolarHBondContact O-N 3Å
42K54.5Low66Low199 Ų199111.5 Ų111.587%0.86559%0.586SS**THydrogen-bonded Turntrans-64.3-6.8-175.5-70.1-175.4178.5179.10113.4P40P40-K42 VanDerWaalsContact C-N 3.34Å; P40-K42 PolarHBondContact O-N 3.01Å
43N57.3Low66Low115 Ų115109.6 Ų109.662%0.61558%0.58SS**THydrogen-bonded Turntrans-11740.9-177.5-65.1-11.2000112.2L41 V45 Q61L41-N43 PolarHBondContact O-N 3.42Å; N43-V45 PolarHBondContact O-N 3.01Å; N43-V45 VanDerWaalsContact O-N 3.14Å; N43-Q61 PolarHBondContact ND2-NE2 3.44Å
44T58.5Low66.4Low112 Ų112109.3 Ų109.369%0.68758%0.583SS**  trans-71.3105.6166.846.40000108.9L41 S46L41-T44 HydrophobicContact CB-CG2 4.23Å; L41-T44 PolarHBondContact O-N 3Å; T44-S46 PolarHBondContact O-N 3.16Å
45V59.9Low66.4Low55 Ų55109.6 Ų109.633%0.33359%0.588SS.*  trans-56.5123.3163.9-177.50000106.7N43 L47 E49 I50N43-V45 PolarHBondContact O-N 3.01Å; N43-V45 VanDerWaalsContact O-N 3.14Å; V45-L47 PolarHBondContact O-N 3.43Å; V45-E49 HydrophobicContact CG1-CB 3.9Å; V45-E49 HydrophobicContact CG1-CG 3.92Å; V45-I50 HydrophobicContact CB-CD1 4.41Å; V45-I50 HydrophobicContact CB-CG1 4.21Å; V45-I50 HydrophobicContact CG1-CD1 4.47Å; V45-I50 HydrophobicContact CG1-CG1 3.75Å
46S72.6Confident66.2Low52 Ų52102.9 Ų102.936%0.36456%0.56SS.*  trans-58.7141.7-177.369.10000110.3T44 S48 E49 I50T44-S46 PolarHBondContact O-N 3.16Å; S46-S48 PolarHBondContact O-N 2.98Å; S46-S48 VanDerWaalsContact O-N 3.12Å; S46-S48 PolarHBondContact OG-OG 3.47Å; S46-E49 WeakPolarHBondContact O-CA 3.44Å; S46-E49 WeakPolarHBondContact O-CB 3.3Å; S46-E49 PolarHBondContact O-N 3.19Å; S46-E49 VanDerWaalsContact OG-CB 3.27Å; S46-E49 WeakPolarHBondContact OG-CB 3.3Å; S46-E49 PolarHBondContact OG-N 3.36Å; S46-I50 PolarHBondContact O-N 3.41Å; S46-I50 VanDerWaalsContact O-N 3.1Å
47L68.5Low66.1Low131 Ų131101.6 Ų101.669%0.68655%0.552SS**Hα-helixtrans-55.3-35.3179.9-169.472.8000111.7V45 E49 I50 I51V45-L47 PolarHBondContact O-N 3.43Å; L47-E49 VanDerWaalsContact C-N 3.31Å; L47-E49 PolarHBondContact O-N 3.21Å; L47-I50 PolarHBondContact O-N 3.36Å; L47-I51 HydrophobicContact CG-CD1 4.19Å; L47-I51 VanDerWaalsContact O-CG1 3.26Å; L47-I51 WeakPolarHBondContact O-CG1 3.29Å; L47-I51 PolarHBondContact O-N 3.22Å
48S73.6Confident66Low71 Ų71104.3 Ų104.350%0.49755%0.551SS.*Hα-helixtrans-60.5-35.4173.139.20000114S46 K52S46-S48 PolarHBondContact O-N 2.98Å; S46-S48 VanDerWaalsContact O-N 3.12Å; S46-S48 PolarHBondContact OG-OG 3.47Å; S48-K52 WeakPolarHBondContact O-CG 3.19Å; S48-K52 PolarHBondContact O-N 3.49Å
49E72.9Confident65.7Low103 Ų103108.2 Ų108.248%0.48156%0.557SS.*Hα-helixtrans-77-35.6178.1-172.6171.6-168.100111.5V45 S46 L47 K52 N53V45-E49 HydrophobicContact CG1-CB 3.9Å; V45-E49 HydrophobicContact CG1-CG 3.92Å; S46-E49 WeakPolarHBondContact O-CA 3.44Å; S46-E49 WeakPolarHBondContact O-CB 3.3Å; S46-E49 PolarHBondContact O-N 3.19Å; S46-E49 VanDerWaalsContact OG-CB 3.27Å; S46-E49 WeakPolarHBondContact OG-CB 3.3Å; S46-E49 PolarHBondContact OG-N 3.36Å; L47-E49 VanDerWaalsContact C-N 3.31Å; L47-E49 PolarHBondContact O-N 3.21Å; E49-K52 PolarHBondContact O-N 3.5Å; E49-N53 PolarHBondContact O-N 3.03Å
50I73.8Confident65.1Low51 Ų51109 Ų10926%0.26257%0.569SS.*Hα-helixtrans-63.6-42.9171.9-61.3174.6000111.3V45 S46 L47 N53 P54 I57V45-I50 HydrophobicContact CB-CD1 4.41Å; V45-I50 HydrophobicContact CB-CG1 4.21Å; V45-I50 HydrophobicContact CG1-CD1 4.47Å; V45-I50 HydrophobicContact CG1-CG1 3.75Å; S46-I50 PolarHBondContact O-N 3.41Å; S46-I50 VanDerWaalsContact O-N 3.1Å; L47-I50 PolarHBondContact O-N 3.36Å; I50-N53 CarbonylContact O-C 3.59Å; I50-N53 VanDerWaalsContact O-C 3.22Å; I50-N53 PolarHBondContact O-N 3.46Å; I50-P54 VanDerWaalsContact O-CA 3.32Å; I50-P54 WeakPolarHBondContact O-CA 3.48Å; I50-P54 VanDerWaalsContact O-N 3.13Å; I50-I57 HydrophobicContact CD1-CD1 4.47Å; I50-I57 HydrophobicContact CD1-CG1 4.31Å; I50-I57 HydrophobicContact CG1-CD1 4.48Å; I50-I57 HydrophobicContact CG1-CG1 4.09Å; I50-I57 HydrophobicContact CG2-CD1 3.9Å; I50-I57 HydrophobicContact CG2-CG1 4.3Å
51I74.5Confident64.9Low131 Ų131111.5 Ų111.567%0.67257%0.572SS**Hα-helixtrans-65-42178.8-67.6164.1000111L47L47-I51 HydrophobicContact CG-CD1 4.19Å; L47-I51 VanDerWaalsContact O-CG1 3.26Å; L47-I51 WeakPolarHBondContact O-CG1 3.29Å; L47-I51 PolarHBondContact O-N 3.22Å
52K81.5Confident64.1Low185 Ų185114.5 Ų114.580%0.80458%0.579SS**Hα-helixtrans-71.7-35.2178.9-74.7177.3-178.4179.10112.7S48 E49S48-K52 WeakPolarHBondContact O-CG 3.19Å; S48-K52 PolarHBondContact O-N 3.49Å; E49-K52 PolarHBondContact O-N 3.5Å
53N71.9Confident63.2Low71 Ų71109.9 Ų109.938%0.3858%0.577SS.*  trans-145.394.6179.9-171.2-10.4000110.3E49 I50 M55 S56E49-N53 PolarHBondContact O-N 3.03Å; I50-N53 CarbonylContact O-C 3.59Å; I50-N53 VanDerWaalsContact O-C 3.22Å; I50-N53 PolarHBondContact O-N 3.46Å; N53-M55 PolarHBondContact O-N 3.01Å; N53-M55 VanDerWaalsContact O-N 3.1Å; N53-M55 WeakPolarHBondContact OD1-CB 3.26Å; N53-M55 PolarHBondContact OD1-N 3.17Å; N53-M55 VanDerWaalsContact OD1-N 3.16Å; N53-S56 VanDerWaalsContact O-CB 3.23Å; N53-S56 WeakPolarHBondContact O-CB 3.29Å; N53-S56 PolarHBondContact O-N 2.97Å; N53-S56 PolarHBondContact O-OG 3.39Å
54P73.3Confident62.4Low83 Ų83108.6 Ų108.654%0.53958%0.582SS.*G310 helixtrans-64.9-18.2-178.425.4-34000112.7I50 S56I50-P54 VanDerWaalsContact O-CA 3.32Å; I50-P54 WeakPolarHBondContact O-CA 3.48Å; I50-P54 VanDerWaalsContact O-N 3.13Å; P54-S56 VanDerWaalsContact C-N 3.28Å; P54-S56 PolarHBondContact O-N 2.8Å
55M68.8Low61.7Low120 Ų120111.7 Ų111.759%0.59160%0.595SS**G310 helixtrans-78.7-7.9174.6-65.9-60.7-61.200113.5N53 I57 Y58 R59N53-M55 PolarHBondContact O-N 3.01Å; N53-M55 VanDerWaalsContact O-N 3.1Å; N53-M55 WeakPolarHBondContact OD1-CB 3.26Å; N53-M55 PolarHBondContact OD1-N 3.17Å; N53-M55 VanDerWaalsContact OD1-N 3.16Å; M55-I57 PolarHBondContact O-N 3.4Å; M55-Y58 HydrophobicContact CE-CD2 3.79Å; M55-Y58 HydrophobicContact CE-CG 4.37Å; M55-Y58 PolarHBondContact O-N 3.21Å; M55-Y58 HydrophobicContact SD-CD2 3.9Å; M55-Y58 HydrophobicContact SD-CE2 4.25Å; M55-R59 PolarHBondContact O-N 2.89Å
56S69.1Low60.8Low11 Ų11114.2 Ų114.28%0.07762%0.615CS.*G310 helixtrans-60.9-30.9175.159.60000112.8N53 P54 Y58 R59N53-S56 VanDerWaalsContact O-CB 3.23Å; N53-S56 WeakPolarHBondContact O-CB 3.29Å; N53-S56 PolarHBondContact O-N 2.97Å; N53-S56 PolarHBondContact O-OG 3.39Å; P54-S56 VanDerWaalsContact C-N 3.28Å; P54-S56 PolarHBondContact O-N 2.8Å; S56-Y58 PolarHBondContact O-N 3.2Å; S56-Y58 VanDerWaalsContact O-N 3.16Å; S56-R59 PolarHBondContact O-N 2.82Å
57I65.1Low59.6Low102 Ų102117.8 Ų117.852%0.52364%0.635SS.*G310 helixtrans-57.8-29.7173.8-51.7172.8000110.9I50 M55I50-I57 HydrophobicContact CD1-CD1 4.47Å; I50-I57 HydrophobicContact CD1-CG1 4.31Å; I50-I57 HydrophobicContact CG1-CD1 4.48Å; I50-I57 HydrophobicContact CG1-CG1 4.09Å; I50-I57 HydrophobicContact CG2-CD1 3.9Å; I50-I57 HydrophobicContact CG2-CG1 4.3Å; M55-I57 PolarHBondContact O-N 3.4Å
58Y62.2Low58.2Low175 Ų175116.9 Ų116.969%0.68664%0.637SS**G310 helixtrans-99.15.6179.5-56.7-74.6000113.9M55 S56 G60M55-Y58 HydrophobicContact CE-CD2 3.79Å; M55-Y58 HydrophobicContact CE-CG 4.37Å; M55-Y58 PolarHBondContact O-N 3.21Å; M55-Y58 HydrophobicContact SD-CD2 3.9Å; M55-Y58 HydrophobicContact SD-CE2 4.25Å; S56-Y58 PolarHBondContact O-N 3.2Å; S56-Y58 VanDerWaalsContact O-N 3.16Å; Y58-G60 PolarHBondContact O-N 2.93Å
59R55.1Low56.9Low208 Ų208119.1 Ų119.179%0.78565%0.65SS**  trans-69.574.6163.9-84-167-178.2-160.22.1107.9M55 S56 Q61M55-R59 PolarHBondContact O-N 2.89Å; S56-R59 PolarHBondContact O-N 2.82Å; R59-Q61 PolarHBondContact O-N 3.12Å
60G48.9Very low55.9Low64 Ų64120.4 Ų120.466%0.6667%0.665SS**PPolyproline II helixtrans-56.7129.4169.400000108.2Y58 K62Y58-G60 PolarHBondContact O-N 2.93Å; G60-K62 PolarHBondContact O-N 3.37Å
61Q47.3Very low54.7Low161 Ų161123.3 Ų123.375%0.75269%0.687SS**PPolyproline II helixtrans-51.7125.5167.6-68.7179.5-25.800107.9N43 R59 A63N43-Q61 PolarHBondContact ND2-NE2 3.44Å; R59-Q61 PolarHBondContact O-N 3.12Å; Q61-A63 PolarHBondContact O-N 3.19Å; Q61-A63 VanDerWaalsContact O-N 3.1Å
62K37.6Very low53.9Low205 Ų205126.5 Ų126.589%0.89169%0.692SS**PPolyproline II helixtrans-55.4117.3164.2-80.6179.2173.4-179.80106.9G60G60-K62 PolarHBondContact O-N 3.37Å
63A35Very low52.3Low101 Ų101121.8 Ų121.884%0.83568%0.678SS**  trans27.6111.3159.700000118Q61Q61-A63 PolarHBondContact O-N 3.19Å; Q61-A63 VanDerWaalsContact O-N 3.1Å
64A39.7Very low51.4Low88 Ų88123 Ų12373%0.72769%0.685SS**  trans-152110.513800000107.9S66A64-S66 PolarHBondContact O-N 3.48Å; A64-S66 VanDerWaalsContact O-N 3.07Å
65D44.9Very low50.5Low177 Ų177127 Ų12795%0.94770%0.696SS**  trans5.685.3162-56.4-35.5000116.8
66S40.8Very low50Low108 Ų108124.4 Ų124.476%0.75569%0.693SS**  trans-152.2134.9155.369.50000109.5A64A64-S66 PolarHBondContact O-N 3.48Å; A64-S66 VanDerWaalsContact O-N 3.07Å
67T46.7Very low49.9Very low127 Ų127128.2 Ų128.278%0.77971%0.713SS**  trans-19.9131.4177.1-440000114.7
68P39.7Very low50.1Low113 Ų113127.2 Ų127.273%0.73471%0.708SS**  trans-54128.9-176.622-33000110T70P68-T70 PolarHBondContact O-N 3.18Å
69P46Very low50.5Low118 Ų118122.2 Ų122.277%0.76670%0.699SS**  trans-58.3128.3179.722.4-31.5000108.7P71P69-P71 VanDerWaalsContact O-N 3.12Å
70T52.8Low51.6Low130 Ų130116.4 Ų116.480%0.79869%0.686SS**  trans-44.2120.3170.2-18.20000107.3P68 Y72P68-T70 PolarHBondContact O-N 3.18Å; T70-Y72 PolarHBondContact O-N 3.4Å
71P47.8Very low52.8Low111 Ų111116.2 Ų116.272%0.72168%0.678SS**  trans-61.3107.9-175.722.6-31.6000107.9P69 V73P69-P71 VanDerWaalsContact O-N 3.12Å; P71-V73 VanDerWaalsContact C-N 3.27Å; P71-V73 PolarHBondContact O-N 2.89Å
72Y57.6Low54.1Low198 Ų198115.1 Ų115.178%0.77667%0.671SS**  trans-7191.4174.6-168.1-102.1000106.9T70 L74T70-Y72 PolarHBondContact O-N 3.4Å; Y72-L74 HydrophobicContact CD1-CD2 3.93Å; Y72-L74 HydrophobicContact CD1-CG 3.95Å; Y72-L74 HydrophobicContact CE1-CD2 3.6Å; Y72-L74 HydrophobicContact CE1-CG 4.11Å; Y72-L74 PolarHBondContact O-N 3.03Å
73V47.8Very low56Low86 Ų86115 Ų11552%0.52167%0.665SS.*  trans-72.697.2174.1-176.30000106.6P71 E75 D77 I78P71-V73 VanDerWaalsContact C-N 3.27Å; P71-V73 PolarHBondContact O-N 2.89Å; V73-E75 PolarHBondContact O-N 2.91Å; V73-D77 HydrophobicContact CG1-CB 4.03Å; V73-I78 HydrophobicContact CG1-CD1 4.41Å; V73-I78 HydrophobicContact CG1-CG1 3.81Å
74L52.9Low58.3Low98 Ų98116.5 Ų116.551%0.51365%0.653SS.*  trans-54.3136.6172.7-75.3156.7000108.9Y72 A76 D77Y72-L74 HydrophobicContact CD1-CD2 3.93Å; Y72-L74 HydrophobicContact CD1-CG 3.95Å; Y72-L74 HydrophobicContact CE1-CD2 3.6Å; Y72-L74 HydrophobicContact CE1-CG 4.11Å; Y72-L74 PolarHBondContact O-N 3.03Å; L74-A76 PolarHBondContact O-N 3.12Å; L74-D77 WeakPolarHBondContact O-CB 3.32Å; L74-D77 PolarHBondContact O-N 2.92Å
75E55.6Low60.4Low165 Ų165118.1 Ų118.177%0.77164%0.643SS**Hα-helixtrans-53.6-26.1179.8-66.3-174.5151.100113.4V73 D77 I78 S79V73-E75 PolarHBondContact O-N 2.91Å; E75-D77 VanDerWaalsContact C-N 3.3Å; E75-D77 PolarHBondContact O-N 3.15Å; E75-I78 PolarHBondContact O-N 3.33Å; E75-S79 PolarHBondContact O-N 2.92Å; E75-S79 PolarHBondContact O-OG 3.27Å
76A58Low62Low66 Ų66111.9 Ų111.955%0.54562%0.616SS.*Hα-helixtrans-57.9-40.1171.500000112.3L74 S79 V80L74-A76 PolarHBondContact O-N 3.12Å; A76-S79 WeakPolarHBondContact O-CB 3.44Å; A76-S79 PolarHBondContact O-N 2.96Å; A76-V80 VanDerWaalsContact O-CG2 3.28Å; A76-V80 WeakPolarHBondContact O-CG2 3.49Å; A76-V80 PolarHBondContact O-N 3.44Å
77D66.9Low63.9Low92 Ų92115.5 Ų115.549%0.49261%0.614SS.*Hα-helixtrans-69-36.8179.7-75.5-25.4000112.2V73 L74 E75 S79 V80 A81V73-D77 HydrophobicContact CG1-CB 4.03Å; L74-D77 WeakPolarHBondContact O-CB 3.32Å; L74-D77 PolarHBondContact O-N 2.92Å; E75-D77 VanDerWaalsContact C-N 3.3Å; E75-D77 PolarHBondContact O-N 3.15Å; D77-S79 VanDerWaalsContact C-N 3.34Å; D77-S79 PolarHBondContact O-N 2.79Å; D77-V80 PolarHBondContact O-N 2.98Å; D77-A81 VanDerWaalsContact O-CB 3.31Å; D77-A81 WeakPolarHBondContact O-CB 3.36Å; D77-A81 PolarHBondContact O-N 3.19Å
78I68.4Low65.4Low80 Ų80117.1 Ų117.141%0.4161%0.605SS.*Hα-helixtrans-61.6-47.4174.8-60177.2000109.4V73 E75 V80 A81 F82V73-I78 HydrophobicContact CG1-CD1 4.41Å; V73-I78 HydrophobicContact CG1-CG1 3.81Å; E75-I78 PolarHBondContact O-N 3.33Å; I78-V80 VanDerWaalsContact C-N 3.35Å; I78-V80 PolarHBondContact O-N 3.04Å; I78-A81 WeakPolarHBondContact O-CB 3.09Å; I78-A81 PolarHBondContact O-N 2.87Å; I78-F82 HydrophobicContact CG2-CD2 3.63Å; I78-F82 HydrophobicContact CG2-CE2 3.43Å; I78-F82 VanDerWaalsContact CG2-CE2 3.43Å; I78-F82 WeakPolarHBondContact O-CD2 3.44Å; I78-F82 PolarHBondContact O-N 2.78Å
79S71.2Confident67.2Low70 Ų70119.6 Ų119.649%0.4960%0.6SS.*Hα-helixtrans-61.1-41.9177.7-67.50000112.3E75 A76 D77 F82 R83E75-S79 PolarHBondContact O-N 2.92Å; E75-S79 PolarHBondContact O-OG 3.27Å; A76-S79 WeakPolarHBondContact O-CB 3.44Å; A76-S79 PolarHBondContact O-N 2.96Å; D77-S79 VanDerWaalsContact C-N 3.34Å; D77-S79 PolarHBondContact O-N 2.79Å; S79-F82 PolarHBondContact O-N 3.2Å; S79-R83 WeakPolarHBondContact O-CG 3.5Å; S79-R83 PolarHBondContact O-N 3.45Å
80V77.7Confident68.6Low87 Ų87123.1 Ų123.153%0.52760%0.598SS.*Hα-helixtrans-64.6-42.3175172.10000111.2A76 D77 I78 F82 R83 K84A76-V80 VanDerWaalsContact O-CG2 3.28Å; A76-V80 WeakPolarHBondContact O-CG2 3.49Å; A76-V80 PolarHBondContact O-N 3.44Å; D77-V80 PolarHBondContact O-N 2.98Å; I78-V80 VanDerWaalsContact C-N 3.35Å; I78-V80 PolarHBondContact O-N 3.04Å; V80-F82 PolarHBondContact O-N 3.17Å; V80-R83 PolarHBondContact O-N 2.77Å; V80-K84 WeakPolarHBondContact O-CB 3.27Å; V80-K84 PolarHBondContact O-N 2.7Å
81A73.7Confident69.6Low59 Ų59121.5 Ų121.549%0.48858%0.584SS.*Hα-helixtrans-62.1-43.2176.800000111.8D77 I78 K84 K85D77-A81 VanDerWaalsContact O-CB 3.31Å; D77-A81 WeakPolarHBondContact O-CB 3.36Å; D77-A81 PolarHBondContact O-N 3.19Å; I78-A81 WeakPolarHBondContact O-CB 3.09Å; I78-A81 PolarHBondContact O-N 2.87Å; A81-K84 PolarHBondContact O-N 3.45Å; A81-K85 WeakPolarHBondContact O-CB 3.41Å; A81-K85 PolarHBondContact O-N 2.92Å
82F75.3Confident70.6Confident139 Ų139124 Ų12461%0.6158%0.583SS**Hα-helixtrans-63.7-43.6174.8-83.4-70.6000112.1I78 S79 V80 K84 K85 A86I78-F82 HydrophobicContact CG2-CD2 3.63Å; I78-F82 HydrophobicContact CG2-CE2 3.43Å; I78-F82 VanDerWaalsContact CG2-CE2 3.43Å; I78-F82 WeakPolarHBondContact O-CD2 3.44Å; I78-F82 PolarHBondContact O-N 2.78Å; S79-F82 PolarHBondContact O-N 3.2Å; V80-F82 PolarHBondContact O-N 3.17Å; F82-K84 PolarHBondContact O-N 2.88Å; F82-K85 PolarHBondContact O-N 2.81Å; F82-A86 WeakPolarHBondContact O-CB 3.13Å; F82-A86 PolarHBondContact O-N 3.42Å
83R78.3Confident70.9Confident201 Ų201121.9 Ų121.976%0.75858%0.579SS**Hα-helixtrans-60.6-43.4174.8-76-178.8-179.8-166.32.1111.7S79 V80 A86 R87S79-R83 WeakPolarHBondContact O-CG 3.5Å; S79-R83 PolarHBondContact O-N 3.45Å; V80-R83 PolarHBondContact O-N 2.77Å; R83-A86 PolarHBondContact O-N 3.1Å; R83-R87 WeakPolarHBondContact O-CB 3.32Å; R83-R87 PolarHBondContact O-N 3.07Å
84K82Confident71.5Confident133 Ų133126.8 Ų126.858%0.57859%0.588SS**Hα-helixtrans-63.9-42.4177.3-162.4172.3-175174.90111.5V80 A81 F82 R87 R88V80-K84 WeakPolarHBondContact O-CB 3.27Å; V80-K84 PolarHBondContact O-N 2.7Å; A81-K84 PolarHBondContact O-N 3.45Å; F82-K84 PolarHBondContact O-N 2.88Å; K84-R87 PolarHBondContact O-N 3.34Å; K84-R88 WeakPolarHBondContact O-CG 3.28Å; K84-R88 PolarHBondContact O-N 2.79Å; K84-R88 VanDerWaalsContact O-N 3.07Å
85K83.6Confident71.8Confident122 Ų122127.5 Ų127.553%0.5360%0.596SS.*Hα-helixtrans-65.3-43.2176.1-168170.3-175.1173.10112A81 F82 R88 R89A81-K85 WeakPolarHBondContact O-CB 3.41Å; A81-K85 PolarHBondContact O-N 2.92Å; F82-K85 PolarHBondContact O-N 2.81Å; K85-R88 PolarHBondContact O-N 3.15Å; K85-R89 PolarHBondContact O-N 3.33Å; K85-R89 VanDerWaalsContact O-N 3.14Å
86A78.8Confident71.7Confident46 Ų46124.2 Ų124.238%0.3859%0.591SS.*Hα-helixtrans-63.2-41.7175.600000112.1F82 R83 R89 R90F82-A86 WeakPolarHBondContact O-CB 3.13Å; F82-A86 PolarHBondContact O-N 3.42Å; R83-A86 PolarHBondContact O-N 3.1Å; A86-R89 PolarHBondContact O-N 3.17Å; A86-R90 PolarHBondContact O-N 2.88Å; A86-R90 VanDerWaalsContact O-N 3.09Å
87R81.2Confident71.6Confident185 Ų185125.2 Ų125.270%0.69859%0.594SS**Hα-helixtrans-60.9-44.7175.4-171.7176.1178.4173.1-0.7111.9R83 K84 R89 R90 L91R83-R87 WeakPolarHBondContact O-CB 3.32Å; R83-R87 PolarHBondContact O-N 3.07Å; K84-R87 PolarHBondContact O-N 3.34Å; R87-R89 VanDerWaalsContact C-N 3.34Å; R87-R89 PolarHBondContact O-N 3.37Å; R87-R90 PolarHBondContact O-N 3.32Å; R87-L91 HydrophobicContact CG-CD1 4.25Å; R87-L91 PolarHBondContact O-N 3Å
88R78.9Confident70.7Confident160 Ų160129.3 Ų129.360%0.60461%0.607SS**Hα-helixtrans-59-41175.2-73.2178.3177.5-170.6-1.2112.5K84 K85 L91 K92K84-R88 WeakPolarHBondContact O-CG 3.28Å; K84-R88 PolarHBondContact O-N 2.79Å; K84-R88 VanDerWaalsContact O-N 3.07Å; K85-R88 PolarHBondContact O-N 3.15Å; R88-L91 PolarHBondContact O-N 3.17Å; R88-K92 PolarHBondContact O-N 2.98Å
89R76.5Confident69.5Low165 Ų165134.5 Ų134.562%0.62363%0.627SS**Hα-helixtrans-64.4-39.7176.2-72.1179.2174.9-179.2-2.6112.4K85 A86 R87 K93K85-R89 PolarHBondContact O-N 3.33Å; K85-R89 VanDerWaalsContact O-N 3.14Å; A86-R89 PolarHBondContact O-N 3.17Å; R87-R89 VanDerWaalsContact C-N 3.34Å; R87-R89 PolarHBondContact O-N 3.37Å; R89-K93 PolarHBondContact O-N 2.97Å; R89-K93 VanDerWaalsContact O-N 3.07Å
90R76.3Confident68.2Low192 Ų192137 Ų13773%0.72564%0.642SS**Hα-helixtrans-66-40.1175.4-69.9-179179.6-177.80.5112.1A86 R87 K93 R94A86-R90 PolarHBondContact O-N 2.88Å; A86-R90 VanDerWaalsContact O-N 3.09Å; R87-R90 PolarHBondContact O-N 3.32Å; R90-K93 PolarHBondContact O-N 3.43Å; R90-R94 PolarHBondContact O-N 3.5Å; R90-R94 VanDerWaalsContact O-N 3.1Å
91L73Confident66.5Low97 Ų97137.3 Ų137.351%0.50865%0.648SS.*Hα-helixtrans-64.2-46.5175.9-74.6163.1000111.6R87 R88 K93 R94 V95R87-L91 HydrophobicContact CG-CD1 4.25Å; R87-L91 PolarHBondContact O-N 3Å; R88-L91 PolarHBondContact O-N 3.17Å; L91-K93 VanDerWaalsContact C-N 3.32Å; L91-K93 PolarHBondContact O-N 3.18Å; L91-R94 PolarHBondContact O-N 3.2Å; L91-R94 VanDerWaalsContact O-N 3.08Å; L91-V95 WeakPolarHBondContact O-CG2 3.18Å; L91-V95 PolarHBondContact O-N 3.3Å
92K69.2Low65.1Low162 Ų162146.6 Ų146.670%0.70467%0.67SS**Hα-helixtrans-59.6-40.6175.5-74-170.1176.9-169.30112.6R88 R94 V95 S96R88-K92 PolarHBondContact O-N 2.98Å; K92-R94 VanDerWaalsContact C-N 3.31Å; K92-R94 PolarHBondContact O-N 2.82Å; K92-V95 PolarHBondContact O-N 3.49Å; K92-S96 PolarHBondContact O-N 3.36Å; K92-S96 PolarHBondContact O-OG 3.33Å
93K64.5Low63.4Low155 Ų155145.9 Ų145.967%0.67468%0.677SS**Hα-helixtrans-62.6-35.9174.5-77.6-171.2177.7-172.10113R89 R90 L91 S96 S97R89-K93 PolarHBondContact O-N 2.97Å; R89-K93 VanDerWaalsContact O-N 3.07Å; R90-K93 PolarHBondContact O-N 3.43Å; L91-K93 VanDerWaalsContact C-N 3.32Å; L91-K93 PolarHBondContact O-N 3.18Å; K93-S96 WeakPolarHBondContact CA-OG 3.49Å; K93-S96 PolarHBondContact O-OG 3.35Å; K93-S96 VanDerWaalsContact O-OG 3.1Å; K93-S97 VanDerWaalsContact O-CB 3.27Å; K93-S97 WeakPolarHBondContact O-CB 3.31Å; K93-S97 PolarHBondContact O-N 3.44Å; K93-S97 PolarHBondContact O-OG 3.32Å; K93-S97 VanDerWaalsContact O-OG 3.09Å
94R60.3Low61.5Low189 Ų189140.5 Ų140.571%0.71368%0.676SS**Hα-helixtrans-70.4-36.7175.8-73.6-175.3176.5-162.2-1.1112.5R90 L91 K92 S97 K98R90-R94 PolarHBondContact O-N 3.5Å; R90-R94 VanDerWaalsContact O-N 3.1Å; L91-R94 PolarHBondContact O-N 3.2Å; L91-R94 VanDerWaalsContact O-N 3.08Å; K92-R94 VanDerWaalsContact C-N 3.31Å; K92-R94 PolarHBondContact O-N 2.82Å; R94-S97 WeakPolarHBondContact CA-OG 3.48Å; R94-S97 PolarHBondContact O-OG 3.5Å; R94-K98 PolarHBondContact O-N 2.88Å
95V57.6Low59.6Low112 Ų112144.3 Ų144.368%0.67969%0.692SS**Hα-helixtrans-68.1-40.6174.2178.80000110.4L91 K92L91-V95 WeakPolarHBondContact O-CG2 3.18Å; L91-V95 PolarHBondContact O-N 3.3Å; K92-V95 PolarHBondContact O-N 3.49Å
96S55.4Low57.4Low96 Ų96147.7 Ų147.767%0.67171%0.707SS**Hα-helixtrans-75.9-21.717872.30000114K92 K93K92-S96 PolarHBondContact O-N 3.36Å; K92-S96 PolarHBondContact O-OG 3.33Å; K93-S96 WeakPolarHBondContact CA-OG 3.49Å; K93-S96 PolarHBondContact O-OG 3.35Å; K93-S96 VanDerWaalsContact O-OG 3.1Å
97S55.6Low55.4Low88 Ų88150.6 Ų150.662%0.61573%0.73SS**Hα-helixtrans-86.5-13.3176.5670000113.7K93 R94 K99K93-S97 VanDerWaalsContact O-CB 3.27Å; K93-S97 WeakPolarHBondContact O-CB 3.31Å; K93-S97 PolarHBondContact O-N 3.44Å; K93-S97 PolarHBondContact O-OG 3.32Å; K93-S97 VanDerWaalsContact O-OG 3.09Å; R94-S97 WeakPolarHBondContact CA-OG 3.48Å; R94-S97 PolarHBondContact O-OG 3.5Å; S97-K99 VanDerWaalsContact C-N 3.3Å; S97-K99 PolarHBondContact O-N 3.43Å
98K48Very low53.5Low177 Ų177149.6 Ų149.677%0.7774%0.738SS**SBendtrans-73.595.7160.1-85.3-172.4174.7-174.80106.5R94R94-K98 PolarHBondContact O-N 2.88Å
99K43.5Very low51.6Low190 Ų190146.2 Ų146.283%0.82674%0.744SS**  trans-40.8132.9165.1-79.8177.8174.4179.60108.2S97 S101S97-K99 VanDerWaalsContact C-N 3.3Å; S97-K99 PolarHBondContact O-N 3.43Å; K99-S101 PolarHBondContact O-N 2.92Å
100P43.5Very low50Low122 Ų122144.3 Ų144.379%0.79275%0.754SS**  trans-62105.317926-32.1000107.5R102P100-R102 PolarHBondContact O-N 3.31Å; P100-R102 VanDerWaalsContact O-N 3.14Å
101S41.8Very low48.2Very low94 Ų94140 Ų14066%0.65776%0.758SS**  trans-57.7118.2156.352.20000105.1K99 V103K99-S101 PolarHBondContact O-N 2.92Å; S101-V103 VanDerWaalsContact C-N 3.26Å; S101-V103 PolarHBondContact O-N 3.27Å
102R42.9Very low46.6Very low254 Ų254143.4 Ų143.496%0.95877%0.772SS**  trans-49.796.7166-81.8178.6169.8-174.4-3.4107.6P100P100-R102 PolarHBondContact O-N 3.31Å; P100-R102 VanDerWaalsContact O-N 3.14Å
103V40.8Very low45.2Very low123 Ų123140.9 Ų140.975%0.74578%0.775SS**  trans-118.3119.7161.3-1790000104.3S101S101-V103 VanDerWaalsContact C-N 3.26Å; S101-V103 PolarHBondContact O-N 3.27Å
104A38.4Very low44.1Very low89 Ų89142.9 Ų142.974%0.73678%0.784SS**  trans-52.1141.4-170.100000111.7K106A104-K106 PolarHBondContact O-N 3.43Å
105K41.5Very low43.2Very low212 Ų212138.1 Ų138.192%0.92278%0.779SS**  trans-46.8107.2164.5-70.3172.3173.3179.10108.9
106K38.5Very low42.5Very low194 Ų194137.8 Ų137.884%0.84378%0.782SS**  trans-106.2110.7151.9-123.1174.2-178.81800105.5A104 L108A104-K106 PolarHBondContact O-N 3.43Å; K106-L108 PolarHBondContact O-N 3.44Å
107A36.4Very low41.9Very low106 Ų106142.4 Ų142.488%0.87679%0.79SS**  trans-58.7104.4176.100000108.5
108L40.3Very low41.4Very low165 Ų165143.4 Ų143.486%0.86480%0.795SS**PPolyproline II helixtrans-97.1122.4157.5-86.4123.4000106.2K106K106-L108 PolarHBondContact O-N 3.44Å
109A39.1Very low41.3Very low88 Ų88140.3 Ų140.373%0.72780%0.796SS**PPolyproline II helixtrans-50.4148.9-17700000112.1A111A109-A111 PolarHBondContact O-N 3.37Å
110P43Very low41.8Very low126 Ų126136.8 Ų136.882%0.81879%0.79SS**PPolyproline II helixtrans-59.5123.5-178.823.5-31.7000110.3E112P110-E112 PolarHBondContact O-N 3.45Å
111A39.1Very low42Very low100 Ų100136.4 Ų136.483%0.82679%0.787SS**PPolyproline II helixtrans-59.2134.3173.500000109.8A109A109-A111 PolarHBondContact O-N 3.37Å
112E40.4Very low42.4Very low170 Ų170139.5 Ų139.579%0.79480%0.795SS**PPolyproline II helixtrans-53.5140-174-64.5177.4156.400112.8P110 F114P110-E112 PolarHBondContact O-N 3.45Å; E112-F114 PolarHBondContact O-N 2.97Å
113S39.8Very low42.7Very low109 Ų109136.6 Ų136.676%0.76279%0.789SS**  trans-53.8112.8167.248.90000112.1
114F40.7Very low43.3Very low196 Ų196134.9 Ų134.986%0.8679%0.788SS**  trans-88.687146.5-67-79.2000106.1E112E112-F114 PolarHBondContact O-N 2.97Å
115S41.6Very low43.6Very low89 Ų89141.9 Ų141.962%0.62280%0.795SS**  62.8111.588.385.80000113.7
116S43Very low44Very low105 Ų105138 Ų13873%0.73479%0.789SS**  trans63.679.5143.3-163.30000117.8
117F42.1Very low44.6Very low193 Ų193135.9 Ų135.985%0.84679%0.786SS**  trans-115.7130135.4-79.9-83.1000107.3S119F117-S119 PolarHBondContact O-N 2.96Å
118P45.1Very low44.9Very low110 Ų110136.3 Ų136.371%0.71478%0.778SS**  trans-64.1105.3173.926.2-31.7000108V120P118-V120 VanDerWaalsContact C-N 3.28Å; P118-V120 PolarHBondContact O-N 2.72Å
119S45.5Very low45.4Very low112 Ų112134.7 Ų134.778%0.78377%0.774SS**  trans-68.290.3170.143.90000108F117 P121F117-S119 PolarHBondContact O-N 2.96Å; S119-P121 VanDerWaalsContact O-CD 3.29Å; S119-P121 WeakPolarHBondContact O-CD 3.23Å
120V54.1Low45.2Very low115 Ų115138.3 Ų138.370%0.69778%0.776SS**  trans-63.7117.7168.5-179.50000107P118 I122P118-V120 VanDerWaalsContact C-N 3.28Å; P118-V120 PolarHBondContact O-N 2.72Å; V120-I122 PolarHBondContact O-N 3.46Å
121P48.1Very low45.3Very low114 Ų114141 Ų14174%0.7478%0.775SS**  trans-68.8103.8179.926.6-31.8000109.1S119 K123S119-P121 VanDerWaalsContact O-CD 3.29Å; S119-P121 WeakPolarHBondContact O-CD 3.23Å; P121-K123 PolarHBondContact O-N 3.46Å
122I50.1Low45.5Very low159 Ų159145 Ų14582%0.81578%0.777SS**  trans-72.699.4171.9-56.2172.3000106.8V120 A124V120-I122 PolarHBondContact O-N 3.46Å; I122-A124 PolarHBondContact O-N 3.33Å
123K50.1Low45.3Very low193 Ų193142.3 Ų142.384%0.83977%0.772SS**  trans-62.8115165.6-76.7-176.8178.7178.80107.7P121 R125P121-K123 PolarHBondContact O-N 3.46Å; K123-R125 PolarHBondContact O-N 3.17Å
124A53Low45.2Very low88 Ų88146.7 Ų146.773%0.72778%0.78SS**  trans-59.8119.9175.200000109.1I122 T126I122-A124 PolarHBondContact O-N 3.33Å; A124-T126 PolarHBondContact O-N 2.78Å
125R45.3Very low45.1Very low236 Ų236140.2 Ų140.289%0.89177%0.769SS**  trans-75.4115.5172.7-69.6-177.3177.3-179.8-1.8108.2K123 I127K123-R125 PolarHBondContact O-N 3.17Å; R125-I127 PolarHBondContact O-N 3.16Å
126T49.6Very low45.1Very low129 Ų129143.8 Ų143.879%0.79178%0.781SS**  trans-74.3108.7172.1-47.50000108.2A124 T128A124-T126 PolarHBondContact O-N 2.78Å; T126-T128 PolarHBondContact O-N 2.78Å
127I50.3Low45Very low150 Ų150147.9 Ų147.977%0.76979%0.786SS**  trans-83.9108.1171.8-56.4173.1000106.8R125 V129R125-I127 PolarHBondContact O-N 3.16Å; I127-V129 PolarHBondContact O-N 3.35Å
128T43.2Very low44.5Very low115 Ų115144 Ų14471%0.70678%0.783SS**  trans-77.5112.9170.546.80000108.8T126 Q130T126-T128 PolarHBondContact O-N 2.78Å; T128-Q130 PolarHBondContact O-N 2.82Å
129V50.2Low43.9Very low131 Ų131144 Ų14479%0.79479%0.785SS**  trans-75.3107.7171.9-179.30000107.4I127 K131I127-V129 PolarHBondContact O-N 3.35Å; V129-K131 PolarHBondContact O-N 3Å
130Q36.2Very low43.2Very low164 Ų164143.5 Ų143.577%0.76678%0.781SS**  trans-68121.6168.5-70.6-175.2-4.100107.8T128 E132T128-Q130 PolarHBondContact O-N 2.82Å; Q130-E132 PolarHBondContact O-N 2.87Å
131K44.7Very low42.6Very low184 Ų184146.7 Ų146.780%0.879%0.786SS**  trans-89.392.7177.9-162.4-178.3-175.7-1710106.2V129 T133V129-K131 PolarHBondContact O-N 3Å; K131-T133 PolarHBondContact O-N 3.42Å; K131-T133 VanDerWaalsContact O-N 3.13Å
132E41.9Very low41.9Very low183 Ų183149 Ų14986%0.85579%0.787SS**  trans-65.6110.1171.3-68.6-177.2169.600108Q130Q130-E132 PolarHBondContact O-N 2.87Å
133T37.4Very low41.6Very low113 Ų113145.6 Ų145.669%0.69378%0.775SS**  trans-99.599.6170.447.20000107.2K131K131-T133 PolarHBondContact O-N 3.42Å; K131-T133 VanDerWaalsContact O-N 3.13Å
134E38Very low41.3Very low201 Ų201144.9 Ų144.994%0.93977%0.772SS**  trans-170.1102.3154.2-107.2165.1-143.400107.8
135G38.8Very low40.7Very low61 Ų61147.3 Ų147.363%0.62977%0.772SS**SBendtrans137.6101.3-176.700000110.2F137G135-F137 PolarHBondContact O-N 2.94Å
136D39.8Very low41Very low164 Ų164142.2 Ų142.288%0.87776%0.762SS**  trans-62.238179-93.1-29.9000114.7S138D136-S138 VanDerWaalsContact C-N 3.27Å; D136-S138 PolarHBondContact O-N 3.35Å
137F41.6Very low41Very low191 Ų191145.1 Ų145.184%0.83876%0.764SS**  trans-77.289.7161.6-67.6-74.4000107.7G135 C139G135-F137 PolarHBondContact O-N 2.94Å; F137-C139 PolarHBondContact O-N 3.47Å
138S31.3Very low41.4Very low112 Ų112145.7 Ų145.778%0.78377%0.768SS**  trans-60.468.8162-66.50000109.6D136 S140D136-S138 VanDerWaalsContact C-N 3.27Å; D136-S138 PolarHBondContact O-N 3.35Å; S138-S140 PolarHBondContact O-N 2.94Å
139C33.6Very low41.6Very low110 Ų110145.2 Ų145.274%0.74376%0.758SS**  trans-80.578.7172.9-163.20000106.7F137 F141F137-C139 PolarHBondContact O-N 3.47Å; C139-F141 VanDerWaalsContact C-N 3.34Å; C139-F141 PolarHBondContact O-N 3Å
140S31.2Very low41.4Very low101 Ų101143.2 Ų143.271%0.70675%0.748SS**  trans-6698.7168.153.50000108S138 E142S138-S140 PolarHBondContact O-N 2.94Å; S140-E142 PolarHBondContact O-N 3.41Å
141F40.8Very low41.8Very low182 Ų182142.1 Ų142.180%0.79876%0.755SS**  trans-70.290.1165.4-161.2-93.9000106.5C139 P143C139-F141 VanDerWaalsContact C-N 3.34Å; C139-F141 PolarHBondContact O-N 3Å; F141-P143 WeakPolarHBondContact O-CD 3.4Å
142E33.1Very low42.1Very low162 Ų162136.7 Ų136.776%0.75775%0.752SS**  trans-78.2104.1164.9-80.4-140.7151.300108S140 K144S140-E142 PolarHBondContact O-N 3.41Å; E142-K144 VanDerWaalsContact C-N 3.28Å; E142-K144 PolarHBondContact O-N 3.32Å
143P43.4Very low42.5Very low87 Ų87131 Ų13157%0.56573%0.729SS**  trans-64.297.8167.428.3-34000106.9F141 N145F141-P143 WeakPolarHBondContact O-CD 3.4Å; P143-N145 PolarHBondContact O-N 3.45Å; P143-N145 PolarHBondContact O-ND2 2.86Å
144K44.8Very low43.6Very low178 Ų178133.9 Ų133.977%0.77473%0.732SS**  trans-53.7106.9168.5-79.3179.1178.8170.70106.5E142 L146E142-K144 VanDerWaalsContact C-N 3.28Å; E142-K144 PolarHBondContact O-N 3.32Å; K144-L146 PolarHBondContact O-N 2.9Å
145N40.3Very low44.1Very low139 Ų139127.9 Ų127.974%0.74372%0.724SS**  trans-64.679.8173.4-91.5-86.6000108P143 K147P143-N145 PolarHBondContact O-N 3.45Å; P143-N145 PolarHBondContact O-ND2 2.86Å; N145-K147 PolarHBondContact O-N 3.07Å
146L50.8Low44.3Very low129 Ų129134.1 Ų134.168%0.67574%0.735SS**  trans-71.982.5168.8-74.2166.5000106.9K144 D148 Q149K144-L146 PolarHBondContact O-N 2.9Å; L146-D148 PolarHBondContact O-N 3.42Å; L146-Q149 PolarHBondContact O-N 3.35Å
147K50Low44.5Very low190 Ų190131.3 Ų131.383%0.82673%0.728SS**THydrogen-bonded Turntrans-57.63.1179.9-80.7-178.6175.2176.80115.1N145N145-K147 PolarHBondContact O-N 3.07Å
148D57.6Low44.5Very low162 Ų162127.1 Ų127.187%0.86672%0.72SS**THydrogen-bonded Turntrans-122.96-176.6-66.9-39.5000114.8L146L146-D148 PolarHBondContact O-N 3.42Å
149Q48Very low44.9Very low106 Ų106127.3 Ų127.350%0.49572%0.719SS.*SBendtrans-89.1131.7168-103.1-164-0.200111.5L146 T153L146-Q149 PolarHBondContact O-N 3.35Å; Q149-T153 VanDerWaalsContact CD-CG2 3.49Å; Q149-T153 HydrophobicContact CG-CG2 4.38Å; Q149-T153 VanDerWaalsContact NE2-CG2 3.31Å; Q149-T153 VanDerWaalsContact OE1-CB 3.24Å
150P46.4Very low45.2Very low89 Ų89129.8 Ų129.858%0.57872%0.723SS**PPolyproline II helixtrans-63142.4174.325.9-31.3000109.8G152 T153P150-G152 PolarHBondContact O-N 3.36Å; P150-T153 PolarHBondContact O-N 3.13Å; P150-T153 PolarHBondContact O-OG1 3.22Å
151P45.5Very low45.6Very low140 Ų140131.7 Ų131.791%0.90973%0.726SS**THydrogen-bonded Turntrans-55.6130.4179.619.2-30000110.9
152G49.7Very low45.4Very low71 Ų71130.7 Ų130.773%0.73273%0.728SS**THydrogen-bonded Turntrans100.113-179.400000115.8P150 F154P150-G152 PolarHBondContact O-N 3.36Å; G152-F154 PolarHBondContact O-N 2.98Å
153T51Low45.6Very low62 Ų62133.1 Ų133.138%0.3873%0.73SS.*  trans-87.595.4174-450000109.2Q149 P150 G155Q149-T153 VanDerWaalsContact CD-CG2 3.49Å; Q149-T153 HydrophobicContact CG-CG2 4.38Å; Q149-T153 VanDerWaalsContact NE2-CG2 3.31Å; Q149-T153 VanDerWaalsContact OE1-CB 3.24Å; P150-T153 PolarHBondContact O-N 3.13Å; P150-T153 PolarHBondContact O-OG1 3.22Å; T153-G155 PolarHBondContact O-N 3.5Å
154F59.1Low45.1Very low174 Ų174137.2 Ų137.276%0.76375%0.747SS**  trans-71.1119.7163.3-75.5-91.4000107.3G152 F156G152-F154 PolarHBondContact O-N 2.98Å; F154-F156 VanDerWaalsContact C-N 3.25Å; F154-F156 HydrophobicContact CB-CD2 4.38Å; F154-F156 HydrophobicContact CB-CE2 4.43Å; F154-F156 PolarHBondContact O-N 2.81Å
155G48.7Very low44.7Very low75 Ų75137.7 Ų137.777%0.77375%0.749SS**  trans-66.889.9168.900000108.4T153 S157T153-G155 PolarHBondContact O-N 3.5Å; G155-S157 PolarHBondContact O-N 3.08Å; G155-S157 VanDerWaalsContact O-N 3.12Å
156F43.9Very low44.3Very low192 Ų192134.3 Ų134.384%0.84275%0.747SS**  trans-62.7114.5166.9-93-92.1000107.2F154F154-F156 VanDerWaalsContact C-N 3.25Å; F154-F156 HydrophobicContact CB-CD2 4.38Å; F154-F156 HydrophobicContact CB-CE2 4.43Å; F154-F156 PolarHBondContact O-N 2.81Å
157S43.5Very low43.4Very low106 Ų106137.6 Ų137.674%0.74176%0.759SS**PPolyproline II helixtrans-48.6136.5163.3-167.50000108.2G155G155-S157 PolarHBondContact O-N 3.08Å; G155-S157 VanDerWaalsContact O-N 3.12Å
158P42.8Very low42.8Very low102 Ų102134.5 Ų134.566%0.66276%0.758SS**PPolyproline II helixtrans-56.5151.1-169.520.7-32.1000112.3L160P158-L160 PolarHBondContact O-N 3.42Å; P158-L160 VanDerWaalsContact O-N 3.15Å
159P39.3Very low42Very low117 Ų117132.3 Ų132.376%0.7676%0.756SS**PPolyproline II helixtrans-57.1121.9-172.822.3-31.3000110D161P159-D161 PolarHBondContact O-N 2.93Å
160L40.4Very low41.2Very low161 Ų161133 Ų13384%0.84377%0.772SS**  trans-61.7102.5167.4-76.6153.3000107P158 L162P158-L160 PolarHBondContact O-N 3.42Å; P158-L160 VanDerWaalsContact O-N 3.15Å; L160-L162 VanDerWaalsContact C-N 3.26Å; L160-L162 PolarHBondContact O-N 3.06Å
161D38.7Very low40.6Very low141 Ų141133 Ų13375%0.75478%0.779SS**  trans-65.791.5168.1-88.5-18.1000108P159 R163P159-D161 PolarHBondContact O-N 2.93Å; D161-R163 VanDerWaalsContact C-N 3.25Å; D161-R163 PolarHBondContact O-N 3.37Å
162L37Very low39.9Very low162 Ų162132.3 Ų132.385%0.84878%0.778SS**  trans-6785.2166.4-75.1163.4000108.4L160 L164L160-L162 VanDerWaalsContact C-N 3.26Å; L160-L162 PolarHBondContact O-N 3.06Å; L162-L164 PolarHBondContact O-N 3.32Å
163R37Very low39.1Very low212 Ų212133.8 Ų133.880%0.878%0.783SS**  trans-78.2108162.9-72.1-155.8172.4-172.6-2.5108.6D161 F165D161-R163 VanDerWaalsContact C-N 3.25Å; D161-R163 PolarHBondContact O-N 3.37Å; R163-F165 WeakPolarHBondContact O-CD2 3.5Å; R163-F165 PolarHBondContact O-N 3.11Å
164L32.6Very low38.1Very low174 Ų174140.2 Ų140.291%0.91181%0.809SS**  trans-54.8112.7166.9-77.1135.9000109.4L162L162-L164 PolarHBondContact O-N 3.32Å
165F36Very low36.8Very low187 Ų187139.4 Ų139.482%0.8281%0.81SS**  trans-70.4129.4170.9-74.5-93.1000109.3R163 I207R163-F165 WeakPolarHBondContact O-CD2 3.5Å; R163-F165 PolarHBondContact O-N 3.11Å; F165-I207 HydrophobicContact CZ-CD1 4.47Å
166G33Very low36.2Very low69 Ų69142.1 Ų142.171%0.71181%0.814SS**  trans168.119.3176.400000118.6
167Q30.7Very low35.9Very low197 Ų197136.8 Ų136.892%0.92180%0.797SS**  trans-124.497.5165.4-90.8-165.8-35.700110.9S169Q167-S169 PolarHBondContact O-N 2.95Å
168P37.8Very low35.3Very low125 Ų125141 Ų14181%0.81280%0.804SS**  trans-79.2108.6160.930-27.6000108.7S170P168-S170 PolarHBondContact O-N 3.37Å
169S41.1Very low35.3Very low117 Ų117142 Ų14282%0.81880%0.804SS**  trans-79.4108.6161.974.30000108.3Q167 A171Q167-S169 PolarHBondContact O-N 2.95Å; S169-A171 PolarHBondContact O-N 2.79Å
170S30.5Very low35.3Very low120 Ų120143.6 Ų143.684%0.83981%0.806SS**  trans-63.3116.3167.648.50000111.4P168P168-S170 PolarHBondContact O-N 3.37Å
171A34.8Very low35.7Very low88 Ų88141 Ų14173%0.72779%0.793SS**  trans-171.893.4154.700000106.7S169S169-A171 PolarHBondContact O-N 2.79Å
172S29.8Very low36.6Very low126 Ų126138.8 Ų138.888%0.88179%0.789SS**  57.9101.290.9-64.50000113.4
173A34.3Very low38.2Very low102 Ų102139.4 Ų139.484%0.84379%0.787SS**  trans176.3119.413200000109.8
174E30.1Very low40.4Very low197 Ų197130 Ų13092%0.92176%0.756SS**  trans-61.1136.3169.3-64.5164140.600110.8
175M31.1Very low42.9Very low158 Ų158123.1 Ų123.178%0.77872%0.718SS**  trans-152.9116.4153.6-161.6176.4164.500108V177M175-V177 HydrophobicContact CE-CG2 3.93Å; M175-V177 HydrophobicContact CG-CG2 4.09Å; M175-V177 PolarHBondContact O-N 3.08Å; M175-V177 VanDerWaalsContact O-N 3.15Å; M175-V177 HydrophobicContact SD-CG2 4.24Å
176P35.8Very low45.3Very low131 Ų131118.2 Ų118.285%0.85170%0.704SS**  trans-81.795.4176.131.4-27.4000107.5
177V37.1Very low47.8Very low81 Ų81115 Ų11549%0.49167%0.67SS.*  trans-103.7109.2164.6-173.50000105.4M175 L179M175-V177 HydrophobicContact CE-CG2 3.93Å; M175-V177 HydrophobicContact CG-CG2 4.09Å; M175-V177 PolarHBondContact O-N 3.08Å; M175-V177 VanDerWaalsContact O-N 3.15Å; M175-V177 HydrophobicContact SD-CG2 4.24Å; V177-L179 HydrophobicContact CB-CG 4.25Å; V177-L179 HydrophobicContact CG1-CD2 4.02Å; V177-L179 HydrophobicContact CG1-CG 3.75Å; V177-L179 PolarHBondContact O-N 3.12Å
178E32.3Very low50.2Low193 Ų193112.5 Ų112.590%0.90266%0.656SS**  trans-50.385.3155.1-76.2-94.314300107.4
179L41.2Very low52.4Low125 Ų125112.2 Ų112.265%0.65465%0.647SS**  trans-94114.5165.1-74.5168.2000104.1V177 D181V177-L179 HydrophobicContact CB-CG 4.25Å; V177-L179 HydrophobicContact CG1-CD2 4.02Å; V177-L179 HydrophobicContact CG1-CG 3.75Å; V177-L179 PolarHBondContact O-N 3.12Å; L179-D181 VanDerWaalsContact C-N 3.26Å; L179-D181 PolarHBondContact O-N 2.88Å
180D41Very low54.6Low150 Ų150108 Ų10880%0.80262%0.618SS**  trans-47.293167.6-86.7-59.6000109.7S182D180-S182 PolarHBondContact O-N 3.42Å
181D48.4Very low57.3Low107 Ų107108.6 Ų108.657%0.57261%0.611SS**THydrogen-bonded Turntrans-72.620.3176.8-85.5-33000111.7L179 E183 V196L179-D181 VanDerWaalsContact C-N 3.26Å; L179-D181 PolarHBondContact O-N 2.88Å; D181-E183 PolarHBondContact O-N 3.38Å; D181-V196 HydrophobicContact CB-CB 4.39Å; D181-V196 HydrophobicContact CB-CG2 4.3Å; D181-V196 WeakPolarHBondContact O-CG2 3.44Å
182S58.1Low59.7Low94 Ų94106.6 Ų106.666%0.65759%0.59SS**THydrogen-bonded Turntrans-79.1-17.3-167.6480000113.9D180D180-S182 PolarHBondContact O-N 3.42Å
183E70Confident62.5Low174 Ų174106 Ų10681%0.81357%0.573SS**SBendtrans-104.985.1170.9-73.7-177.3175.400110.4D181 V196D181-E183 PolarHBondContact O-N 3.38Å; E183-V196 VanDerWaalsContact O-CG2 3.23Å; E183-V196 WeakPolarHBondContact O-CG2 3.36Å
184G82.2Confident65Low15 Ų15101.1 Ų101.116%0.15553%0.533CS..PPolyproline II helixtrans-52.5172.4167.600000113.4H193 N194G184-H193 VanDerWaalsContact CA-CE1 3.44Å; G184-H193 WeakPolarHBondContact CA-CE1 3.35Å; G184-H193 WeakPolarHBondContact CA-NE2 3.04Å; G184-H193 PolarHBondContact N-CE1 2.99Å; G184-H193 PolarHBondContact N-NE2 3.21Å; G184-H193 PolarHBondContact O-CE1 2.91Å; G184-N194 CarbonylContact C-O 3.46Å; G184-N194 VanDerWaalsContact C-O 3.28Å; G184-N194 WeakPolarHBondContact CA-O 3.43Å
185W85.1Confident67.7Low30 Ų3095 Ų9511%0.11451%0.51CS..EExtended strand (participates in β ladder)trans-101.8136.5178.870.4-79.4000111.7C187 N194 P195 A198 C201 F206 K208W185-C187 HydrophobicContact CH2-CB 4.42Å; W185-C187 HydrophobicContact CZ3-CB 4.05Å; W185-N194 HydrophobicContact CD2-CB 4.29Å; W185-N194 HydrophobicContact CG-CB 4.44Å; W185-N194 HydrophobicContact CZ2-CB 4.14Å; W185-N194 PolarHBondContact N-O 3.45Å; W185-N194 PolarHBondContact O-N 3.41Å; W185-N194 PolarHBondContact O-ND2 3.27Å; W185-P195 VanDerWaalsContact CD1-O 3.29Å; W185-P195 PolarHBondContact NE1-O 3.09Å; W185-A198 PolarHBondContact NE1-O 3.24Å; W185-A198 VanDerWaalsContact NE1-O 3.1Å; W185-C201 HydrophobicContact CH2-CB 3.93Å; W185-C201 HydrophobicContact CZ2-CB 4.34Å; W185-F206 WeakPolarHBondContact CH2-O 3.35Å; W185-K208 HydrophobicContact CD2-CB 4.41Å; W185-K208 HydrophobicContact CD2-CG 4.02Å; W185-K208 HydrophobicContact CG-CD 4.37Å; W185-K208 HydrophobicContact CG-CG 4.27Å; W185-K208 HydrophobicContact CH2-CB 4.24Å; W185-K208 HydrophobicContact CZ2-CB 3.81Å; W185-K208 HydrophobicContact CZ2-CG 4.32Å
186T86Confident70.2Confident84 Ų8489.3 Ų89.352%0.51548%0.484SS..EExtended strand (participates in β ladder)trans-84.2132174.151.80000110.7K188 H193T186-K188 PolarHBondContact O-N 3.35Å; T186-H193 HydrophobicContact CG2-CB 4.49Å
187C86.1Confident72.3Confident0 Ų087.9 Ų87.90%048%0.477CS..PPolyproline II helixtrans-71.6122.5176.7-179.40000110.6W185 L189 C190 D191 V192 C201 C204W185-C187 HydrophobicContact CH2-CB 4.42Å; W185-C187 HydrophobicContact CZ3-CB 4.05Å; C187-L189 PolarHBondContact O-N 2.68Å; C187-L189 VanDerWaalsContact O-N 3.08Å; C187-C190 VanDerWaalsContact CB-SG 3.54Å; C187-C190 PolarHBondContact O-N 2.73Å; C187-D191 WeakPolarHBondContact O-CA 3.44Å; C187-D191 PolarHBondContact O-N 2.98Å; C187-V192 PolarHBondContact N-O 3.14Å; C187-C201 HydrophobicContact CB-CB 3.93Å; C187-C201 VanDerWaalsContact CB-SG 3.58Å; C187-C204 PolarHBondContact SG-SG 3.1Å
188K82Confident74.5Confident145 Ų14584.6 Ų84.663%0.6346%0.459SS*.THydrogen-bonded Turntrans-66.1-11.8-179-64.2-174178.8-176.70115.1T186T186-K188 PolarHBondContact O-N 3.35Å
189L82.8Confident77Confident120 Ų12079.3 Ų79.363%0.62844%0.441SS*.THydrogen-bonded Turntrans-96.5-35.7-179.1-66.6-174.9000112.9C187 F206C187-L189 PolarHBondContact O-N 2.68Å; C187-L189 VanDerWaalsContact O-N 3.08Å; L189-F206 HydrophobicContact CD1-CB 4.06Å; L189-F206 HydrophobicContact CD1-CD2 3.25Å; L189-F206 HydrophobicContact CD1-CE2 3.76Å; L189-F206 HydrophobicContact CD1-CG 3.7Å; L189-F206 HydrophobicContact CG-CD2 4.06Å; L189-F206 HydrophobicContact CG-CE2 4.32Å; L189-F206 HydrophobicContact CG-CG 4.21Å
190C88.1Confident79.1Confident29 Ų2979.4 Ų79.420%0.19643%0.433CS..THydrogen-bonded Turntrans-127.62.3-172.964.80000114C187 V192 W203C187-C190 VanDerWaalsContact CB-SG 3.54Å; C187-C190 PolarHBondContact O-N 2.73Å; C190-V192 HydrophobicContact CB-CG2 4.26Å; C190-V192 PolarHBondContact O-N 3.02Å; C190-W203 HydrophobicContact CB-CD2 4.41Å; C190-W203 HydrophobicContact CB-CE3 3.28Å; C190-W203 HydrophobicContact CB-CZ3 3.38Å
191D86Confident81.3Confident131 Ų13172.2 Ų72.270%0.70140%0.395SS*.  trans55.913.3-179.2-60.4-38.7000115.4C187C187-D191 WeakPolarHBondContact O-CA 3.44Å; C187-D191 PolarHBondContact O-N 2.98Å
192V86.5Confident83.1Confident47 Ų4771.4 Ų71.429%0.28539%0.394SS..  trans-72.8132175.2176.20000110.1C187 C190 N194 W203C187-V192 PolarHBondContact N-O 3.14Å; C190-V192 HydrophobicContact CB-CG2 4.26Å; C190-V192 PolarHBondContact O-N 3.02Å; V192-N194 PolarHBondContact O-ND2 3.42Å; V192-W203 HydrophobicContact CG2-CB 4.09Å; V192-W203 HydrophobicContact CG2-CG 4.44Å
193H88.6Confident84.4Confident112 Ų11276 Ų7652%0.51940%0.397SS..EExtended strand (participates in β ladder)trans-77.7126.5174.7-166.176.9000110.6G184 T186G184-H193 VanDerWaalsContact CA-CE1 3.44Å; G184-H193 WeakPolarHBondContact CA-CE1 3.35Å; G184-H193 WeakPolarHBondContact CA-NE2 3.04Å; G184-H193 PolarHBondContact N-CE1 2.99Å; G184-H193 PolarHBondContact N-NE2 3.21Å; G184-H193 PolarHBondContact O-CE1 2.91Å; T186-H193 HydrophobicContact CG2-CB 4.49Å
194N87.1Confident85.3Confident0 Ų070 Ų700%037%0.374CS..EExtended strand (participates in β ladder)trans-119.4148.7-178.9-54.1-78.5000109.7G184 W185 V192 A198 C201 T202G184-N194 CarbonylContact C-O 3.46Å; G184-N194 VanDerWaalsContact C-O 3.28Å; G184-N194 WeakPolarHBondContact CA-O 3.43Å; W185-N194 HydrophobicContact CD2-CB 4.29Å; W185-N194 HydrophobicContact CG-CB 4.44Å; W185-N194 HydrophobicContact CZ2-CB 4.14Å; W185-N194 PolarHBondContact N-O 3.45Å; W185-N194 PolarHBondContact O-N 3.41Å; W185-N194 PolarHBondContact O-ND2 3.27Å; V192-N194 PolarHBondContact O-ND2 3.42Å; N194-A198 HydrophobicContact CB-CB 4.47Å; N194-C201 WeakPolarHBondContact OD1-CA 3.45Å; N194-C201 PolarHBondContact OD1-SG 3.2Å; N194-C201 VanDerWaalsContact OD1-SG 3.37Å; N194-T202 PolarHBondContact OD1-N 2.95Å; N194-T202 PolarHBondContact OD1-OG1 3.35Å
195P86.8Confident85.4Confident68 Ų6875 Ų7544%0.44240%0.396SS..  trans-62.7153.7177.426.5-33.1000111.4W185 S197 A198W185-P195 VanDerWaalsContact CD1-O 3.29Å; W185-P195 PolarHBondContact NE1-O 3.09Å; P195-S197 PolarHBondContact O-N 3.43Å; P195-A198 HydrophobicContact CG-CB 3.81Å; P195-A198 PolarHBondContact O-N 2.92Å
196V82.1Confident85.3Confident40 Ų4077.3 Ų77.324%0.24241%0.407CS..THydrogen-bonded Turntrans-57.2-35.8-176.8-177.80000111.8D181 E183 K208D181-V196 HydrophobicContact CB-CB 4.39Å; D181-V196 HydrophobicContact CB-CG2 4.3Å; D181-V196 WeakPolarHBondContact O-CG2 3.44Å; E183-V196 VanDerWaalsContact O-CG2 3.23Å; E183-V196 WeakPolarHBondContact O-CG2 3.36Å; V196-K208 PolarHBondContact O-NZ 2.92Å
197S81.6Confident85.2Confident100 Ų10078.2 Ų78.270%0.69941%0.408SS*.THydrogen-bonded Turntrans-74.5-19.4-179.556.50000114.4P195 P199P195-S197 PolarHBondContact O-N 3.43Å; S197-P199 VanDerWaalsContact O-CD 3.32Å; S197-P199 WeakPolarHBondContact O-CD 3.37Å
198A82.7Confident84.9Confident13 Ų1381.9 Ų81.911%0.10742%0.424CS..  trans-70.3120.6-176.800000111.4W185 N194 P195 Y200W185-A198 PolarHBondContact NE1-O 3.24Å; W185-A198 VanDerWaalsContact NE1-O 3.1Å; N194-A198 HydrophobicContact CB-CB 4.47Å; P195-A198 HydrophobicContact CG-CB 3.81Å; P195-A198 PolarHBondContact O-N 2.92Å; A198-Y200 VanDerWaalsContact C-N 3.25Å; A198-Y200 PolarHBondContact O-N 3.35Å
199P84.2Confident84.5Confident81 Ų8176.8 Ų76.853%0.52641%0.405SS..SBendtrans-76.9-14.6177.928-28.7000112.7S197 K208S197-P199 VanDerWaalsContact O-CD 3.32Å; S197-P199 WeakPolarHBondContact O-CD 3.37Å; P199-K208 WeakPolarHBondContact O-CB 3.5Å; P199-K208 PolarHBondContact O-N 3.31Å
200Y85.5Confident84.2Confident127 Ų12773 Ų7350%0.49840%0.395SS..BIsolated β-bridgetrans-135.8154.417846.1-98.2000110.5A198 L205 F206A198-Y200 VanDerWaalsContact C-N 3.25Å; A198-Y200 PolarHBondContact O-N 3.35Å; Y200-L205 HydrophobicContact CD2-CD2 3.73Å; Y200-L205 HydrophobicContact CE2-CD2 4.15Å; Y200-L205 HydrophobicContact CG-CD2 4.4Å; Y200-F206 CarbonylContact C-O 3.22Å; Y200-F206 VanDerWaalsContact CA-O 3.27Å; Y200-F206 WeakPolarHBondContact CA-O 3.35Å
201C87.6Confident83.3Confident0 Ų080.1 Ų80.10%042%0.423CS..  trans-64.8135.2172.81770000109.6W185 C187 N194 W203 L205 F206W185-C201 HydrophobicContact CH2-CB 3.93Å; W185-C201 HydrophobicContact CZ2-CB 4.34Å; C187-C201 HydrophobicContact CB-CB 3.93Å; C187-C201 VanDerWaalsContact CB-SG 3.58Å; N194-C201 WeakPolarHBondContact OD1-CA 3.45Å; N194-C201 PolarHBondContact OD1-SG 3.2Å; N194-C201 VanDerWaalsContact OD1-SG 3.37Å; C201-W203 PolarHBondContact O-N 2.65Å; C201-W203 PolarHBondContact SG-N 2.96Å; C201-L205 WeakPolarHBondContact O-CA 3.34Å; C201-L205 PolarHBondContact O-N 3.18Å; C201-F206 HydrophobicContact CB-CB 4.27Å; C201-F206 PolarHBondContact N-O 2.85Å
202T86.4Confident82.6Confident89 Ų8984.6 Ų84.655%0.54643%0.43SS..THydrogen-bonded Turntrans-61.8-33.6179.653.30000112.6N194N194-T202 PolarHBondContact OD1-N 2.95Å; N194-T202 PolarHBondContact OD1-OG1 3.35Å
203W85.2Confident81.9Confident192 Ų19287.2 Ų87.273%0.72744%0.442SS*.THydrogen-bonded Turntrans-88.9-51.3-176.3-172.872.8000113.7C190 V192 C201C190-W203 HydrophobicContact CB-CD2 4.41Å; C190-W203 HydrophobicContact CB-CE3 3.28Å; C190-W203 HydrophobicContact CB-CZ3 3.38Å; V192-W203 HydrophobicContact CG2-CB 4.09Å; V192-W203 HydrophobicContact CG2-CG 4.44Å; C201-W203 PolarHBondContact O-N 2.65Å; C201-W203 PolarHBondContact SG-N 2.96Å
204C89.3Confident81.1Confident48 Ų4883.7 Ų83.732%0.32443%0.43SS..THydrogen-bonded Turntrans-105.62.4-174.761.40000114.6C187 F206C187-C204 PolarHBondContact SG-SG 3.1Å; C204-F206 PolarHBondContact O-N 3.42Å; C204-F206 VanDerWaalsContact SG-CB 3.54Å
205L84.6Confident80.5Confident118 Ų11888.9 Ų88.962%0.61845%0.454SS*.  trans56.815-175.8-57.2175.6000114.5Y200 C201 I207Y200-L205 HydrophobicContact CD2-CD2 3.73Å; Y200-L205 HydrophobicContact CE2-CD2 4.15Å; Y200-L205 HydrophobicContact CG-CD2 4.4Å; C201-L205 WeakPolarHBondContact O-CA 3.34Å; C201-L205 PolarHBondContact O-N 3.18Å; L205-I207 PolarHBondContact O-N 3.43Å
206F82.8Confident80Confident79 Ų7988 Ų8835%0.34645%0.453SS..PPolyproline II helixtrans-63.5129.8178.1-175.3-102000110.6W185 L189 Y200 C201 C204 K208W185-F206 WeakPolarHBondContact CH2-O 3.35Å; L189-F206 HydrophobicContact CD1-CB 4.06Å; L189-F206 HydrophobicContact CD1-CD2 3.25Å; L189-F206 HydrophobicContact CD1-CE2 3.76Å; L189-F206 HydrophobicContact CD1-CG 3.7Å; L189-F206 HydrophobicContact CG-CD2 4.06Å; L189-F206 HydrophobicContact CG-CE2 4.32Å; L189-F206 HydrophobicContact CG-CG 4.21Å; Y200-F206 CarbonylContact C-O 3.22Å; Y200-F206 VanDerWaalsContact CA-O 3.27Å; Y200-F206 WeakPolarHBondContact CA-O 3.35Å; C201-F206 HydrophobicContact CB-CB 4.27Å; C201-F206 PolarHBondContact N-O 2.85Å; C204-F206 PolarHBondContact O-N 3.42Å; C204-F206 VanDerWaalsContact SG-CB 3.54Å; F206-K208 PolarHBondContact O-N 2.94Å
207I83.6Confident79.7Confident104 Ų10489.9 Ų89.953%0.53346%0.461SS..BIsolated β-bridgetrans-66.5131.1-175.9-59.7170.2000109.6F165 L205 P209F165-I207 HydrophobicContact CZ-CD1 4.47Å; L205-I207 PolarHBondContact O-N 3.43Å; I207-P209 VanDerWaalsContact O-N 3.14Å
208K79.8Confident79.6Confident77 Ų7788.2 Ų88.234%0.33545%0.449SS..PPolyproline II helixtrans-50.3121.5172.2-176.7178.6-176.3179.50108.2W185 V196 P199 F206 G210W185-K208 HydrophobicContact CD2-CB 4.41Å; W185-K208 HydrophobicContact CD2-CG 4.02Å; W185-K208 HydrophobicContact CG-CD 4.37Å; W185-K208 HydrophobicContact CG-CG 4.27Å; W185-K208 HydrophobicContact CH2-CB 4.24Å; W185-K208 HydrophobicContact CZ2-CB 3.81Å; W185-K208 HydrophobicContact CZ2-CG 4.32Å; V196-K208 PolarHBondContact O-NZ 2.92Å; P199-K208 WeakPolarHBondContact O-CB 3.5Å; P199-K208 PolarHBondContact O-N 3.31Å; F206-K208 PolarHBondContact O-N 2.94Å; K208-G210 PolarHBondContact O-N 2.93Å
209P73.6Confident79.7Confident37 Ų3794.3 Ų94.324%0.2447%0.473CS..  trans-63.1107.4-179.224.3-31.7000108.3I207I207-P209 VanDerWaalsContact O-N 3.14Å
210G76.3Confident79.7Confident40 Ų4094.2 Ų94.241%0.41247%0.471SS..  trans-57.7147.6172.800000109.7K208 R212 L213 S214K208-G210 PolarHBondContact O-N 2.93Å; G210-R212 PolarHBondContact O-N 3.28Å; G210-L213 WeakPolarHBondContact O-CA 3.38Å; G210-L213 PolarHBondContact O-N 3.43Å; G210-S214 PolarHBondContact O-N 2.98Å; G210-S214 PolarHBondContact O-OG 3.07Å
211K69.1Low79.7Confident179 Ų17992 Ų9278%0.77847%0.467SS*.Hα-helixtrans-46.2-38-179.2-66.2-176.1179.8-1780112.5S214 E215K211-S214 WeakPolarHBondContact CA-OG 3.32Å; K211-S214 PolarHBondContact O-OG 3.35Å; K211-E215 WeakPolarHBondContact O-CG 3.42Å; K211-E215 PolarHBondContact O-N 2.99Å; K211-E215 VanDerWaalsContact O-N 3.08Å
212R71.9Confident79.5Confident225 Ų22598 Ų9885%0.84950%0.495SS*.Hα-helixtrans-65-37.2176.7-67.1-170174.6-174.6-0.2114.2G210 A216G210-R212 PolarHBondContact O-N 3.28Å; R212-A216 WeakPolarHBondContact O-CB 3.2Å; R212-A216 PolarHBondContact O-N 3Å
213L71.5Confident79.3Confident102 Ų10298.5 Ų98.553%0.53449%0.491SS..Hα-helixtrans-77.4-39-177.7-153.7148.4000110.5G210 A216 I217G210-L213 WeakPolarHBondContact O-CA 3.38Å; G210-L213 PolarHBondContact O-N 3.43Å; L213-A216 PolarHBondContact O-N 2.89Å; L213-I217 HydrophobicContact CD2-CD1 3.49Å; L213-I217 VanDerWaalsContact CD2-CD1 3.49Å; L213-I217 HydrophobicContact CD2-CG1 4.09Å; L213-I217 VanDerWaalsContact O-CG1 3.32Å; L213-I217 WeakPolarHBondContact O-CG1 3.39Å; L213-I217 PolarHBondContact O-N 3.44Å
214S71.6Confident79.3Confident39 Ų3995.2 Ų95.227%0.27348%0.484SS..Hα-helixtrans-61-43170.646.80000112.4G210 K211 I217 S218G210-S214 PolarHBondContact O-N 2.98Å; G210-S214 PolarHBondContact O-OG 3.07Å; K211-S214 WeakPolarHBondContact CA-OG 3.32Å; K211-S214 PolarHBondContact O-OG 3.35Å; S214-I217 PolarHBondContact O-N 2.89Å; S214-S218 WeakPolarHBondContact O-CB 3.46Å; S214-S218 PolarHBondContact O-N 3.08Å; S214-S218 PolarHBondContact O-OG 3.37Å; S214-S218 VanDerWaalsContact O-OG 3.11Å
215E75.6Confident79.1Confident108 Ų10899.4 Ų99.451%0.50550%0.497SS..Hα-helixtrans-64.4-40.9175.3-76.6173.5-157.400112.4K211 S218 K219K211-E215 WeakPolarHBondContact O-CG 3.42Å; K211-E215 PolarHBondContact O-N 2.99Å; K211-E215 VanDerWaalsContact O-N 3.08Å; E215-S218 PolarHBondContact O-N 3.21Å; E215-K219 WeakPolarHBondContact O-CG 2.94Å; E215-K219 PolarHBondContact O-N 3.02Å
216A74.9Confident78.9Confident51 Ų5197.2 Ų97.242%0.42149%0.49SS..Hα-helixtrans-62.5-45176.500000111.5R212 L213 K219 V220R212-A216 WeakPolarHBondContact O-CB 3.2Å; R212-A216 PolarHBondContact O-N 3Å; L213-A216 PolarHBondContact O-N 2.89Å; A216-K219 PolarHBondContact O-N 2.98Å; A216-V220 WeakPolarHBondContact O-CG2 3.35Å; A216-V220 PolarHBondContact O-N 3.35Å
217I76.3Confident78.7Confident79 Ų79100.9 Ų100.941%0.40550%0.502SS..Hα-helixtrans-61.2-45.9175.1-68.5171.4000110.4L213 S214 K219 V220 I221L213-I217 HydrophobicContact CD2-CD1 3.49Å; L213-I217 VanDerWaalsContact CD2-CD1 3.49Å; L213-I217 HydrophobicContact CD2-CG1 4.09Å; L213-I217 VanDerWaalsContact O-CG1 3.32Å; L213-I217 WeakPolarHBondContact O-CG1 3.39Å; L213-I217 PolarHBondContact O-N 3.44Å; S214-I217 PolarHBondContact O-N 2.89Å; I217-K219 PolarHBondContact O-N 3.23Å; I217-V220 PolarHBondContact O-N 2.95Å; I217-I221 HydrophobicContact CG2-CD1 3.73Å; I217-I221 HydrophobicContact CG2-CG1 4.35Å; I217-I221 WeakPolarHBondContact O-CG1 3.41Å; I217-I221 PolarHBondContact O-N 2.81Å
218S79.1Confident78.4Confident65 Ų65101.3 Ų101.346%0.45550%0.504SS..Hα-helixtrans-59.1-44.7177.8-67.30000112.2S214 E215 V220 I221 E222S214-S218 WeakPolarHBondContact O-CB 3.46Å; S214-S218 PolarHBondContact O-N 3.08Å; S214-S218 PolarHBondContact O-OG 3.37Å; S214-S218 VanDerWaalsContact O-OG 3.11Å; E215-S218 PolarHBondContact O-N 3.21Å; S218-V220 VanDerWaalsContact C-N 3.34Å; S218-V220 PolarHBondContact O-N 3.3Å; S218-I221 PolarHBondContact O-N 3.42Å; S218-E222 WeakPolarHBondContact O-CG 3.49Å; S218-E222 PolarHBondContact O-N 2.99Å
219K84.5Confident78.5Confident141 Ų141101 Ų10161%0.61351%0.509SS*.Hα-helixtrans-59.7-42.1175.6-76.1174.9-178.1172.90112.3E215 A216 I217 E222 E223E215-K219 WeakPolarHBondContact O-CG 2.94Å; E215-K219 PolarHBondContact O-N 3.02Å; A216-K219 PolarHBondContact O-N 2.98Å; I217-K219 PolarHBondContact O-N 3.23Å; K219-E222 PolarHBondContact O-N 3.45Å; K219-E223 WeakPolarHBondContact O-CB 3.44Å; K219-E223 PolarHBondContact O-N 3.36Å
220V84.6Confident78.7Confident78 Ų78106.8 Ų106.847%0.47353%0.53SS..Hα-helixtrans-65.2-42.8177.4172.50000111.1A216 I217 S218 E223 Q224A216-V220 WeakPolarHBondContact O-CG2 3.35Å; A216-V220 PolarHBondContact O-N 3.35Å; I217-V220 PolarHBondContact O-N 2.95Å; S218-V220 VanDerWaalsContact C-N 3.34Å; S218-V220 PolarHBondContact O-N 3.3Å; V220-E223 PolarHBondContact O-N 3.19Å; V220-Q224 WeakPolarHBondContact O-CG 3.31Å; V220-Q224 PolarHBondContact O-N 3.25Å
221I85.2Confident78.6Confident82 Ų82107.1 Ų107.142%0.42153%0.527SS..Hα-helixtrans-62.8-45.1177.5-68.3169.7000110.7I217 S218 Q224 K225I217-I221 HydrophobicContact CG2-CD1 3.73Å; I217-I221 HydrophobicContact CG2-CG1 4.35Å; I217-I221 WeakPolarHBondContact O-CG1 3.41Å; I217-I221 PolarHBondContact O-N 2.81Å; S218-I221 PolarHBondContact O-N 3.42Å; I221-Q224 PolarHBondContact O-N 3.1Å; I221-K225 HydrophobicContact CG2-CD 4.38Å; I221-K225 WeakPolarHBondContact O-CG 3.44Å; I221-K225 PolarHBondContact O-N 3.49Å
222E84.3Confident79Confident126 Ų126104.6 Ų104.659%0.58952%0.518SS*.Hα-helixtrans-61.8-43.7175.8-75.1-176167.800112.1S218 K219 Q224 K225 C226S218-E222 WeakPolarHBondContact O-CG 3.49Å; S218-E222 PolarHBondContact O-N 2.99Å; K219-E222 PolarHBondContact O-N 3.45Å; E222-Q224 VanDerWaalsContact C-N 3.33Å; E222-Q224 PolarHBondContact O-N 2.72Å; E222-K225 PolarHBondContact O-N 2.81Å; E222-C226 PolarHBondContact O-N 2.79Å; E222-C226 PolarHBondContact O-SG 3.47Å
223E82.8Confident79.1Confident99 Ų99100.3 Ų100.346%0.46351%0.505SS..Hα-helixtrans-61.9-42.5177.8-164.4-171.1167.500111.5K219 V220 C226 R227K219-E223 WeakPolarHBondContact O-CB 3.44Å; K219-E223 PolarHBondContact O-N 3.36Å; V220-E223 PolarHBondContact O-N 3.19Å; E223-C226 PolarHBondContact O-N 3.09Å; E223-R227 VanDerWaalsContact O-CG 3.31Å; E223-R227 WeakPolarHBondContact O-CG 3.33Å; E223-R227 PolarHBondContact O-N 3.29Å; E223-R227 IonicContact OE1-CZ 3.99Å; E223-R227 VanDerWaalsContact OE1-CZ 3.28Å; E223-R227 IonicContact OE1-NE 3.18Å; E223-R227 PolarHBondContact OE1-NE 2.93Å; E223-R227 IonicContact OE1-NH2 3.28Å; E223-R227 PolarHBondContact OE1-NH2 2.7Å; E223-R227 IonicContact OE2-NH2 2.65Å
224Q84.3Confident79.3Confident122 Ų12297.3 Ų97.357%0.5750%0.498SS*.Hα-helixtrans-61.9-43.9174.9-73.5-159.65.500112.1V220 I221 E222 C226 R227 L228V220-Q224 WeakPolarHBondContact O-CG 3.31Å; V220-Q224 PolarHBondContact O-N 3.25Å; I221-Q224 PolarHBondContact O-N 3.1Å; E222-Q224 VanDerWaalsContact C-N 3.33Å; E222-Q224 PolarHBondContact O-N 2.72Å; Q224-C226 VanDerWaalsContact C-N 3.35Å; Q224-C226 PolarHBondContact O-N 2.77Å; Q224-R227 PolarHBondContact O-N 3.42Å; Q224-L228 WeakPolarHBondContact O-CG 3.47Å; Q224-L228 PolarHBondContact O-N 3Å
225K84.7Confident79.6Confident137 Ų137101.9 Ų101.960%0.59651%0.513SS*.Hα-helixtrans-58.9-45.1174.4-73.3177.2179.8179.10111.3I221 E222 R227 L228 V229I221-K225 HydrophobicContact CG2-CD 4.38Å; I221-K225 WeakPolarHBondContact O-CG 3.44Å; I221-K225 PolarHBondContact O-N 3.49Å; E222-K225 PolarHBondContact O-N 2.81Å; K225-R227 VanDerWaalsContact C-N 3.35Å; K225-R227 PolarHBondContact O-N 3.29Å; K225-L228 PolarHBondContact O-N 2.88Å; K225-V229 WeakPolarHBondContact O-CG2 3.27Å; K225-V229 PolarHBondContact O-N 3.05Å; K225-V229 VanDerWaalsContact O-N 3.09Å
226C79.9Confident79.7Confident72 Ų72100.3 Ų100.349%0.48651%0.511SS..Hα-helixtrans-62-39.6176.8-72.80000112.9E222 E223 Q224 V229 K230E222-C226 PolarHBondContact O-N 2.79Å; E222-C226 PolarHBondContact O-SG 3.47Å; E223-C226 PolarHBondContact O-N 3.09Å; Q224-C226 VanDerWaalsContact C-N 3.35Å; Q224-C226 PolarHBondContact O-N 2.77Å; C226-V229 PolarHBondContact O-N 2.85Å; C226-K230 WeakPolarHBondContact O-CG 3.43Å; C226-K230 PolarHBondContact O-N 3.09Å
227R78.9Confident80.1Confident155 Ų155104.3 Ų104.359%0.58552%0.521SS*.Hα-helixtrans-64.2-41.9176.7-72.4172.4-178.4-158.83111.6E223 Q224 K225 K230 S231E223-R227 VanDerWaalsContact O-CG 3.31Å; E223-R227 WeakPolarHBondContact O-CG 3.33Å; E223-R227 PolarHBondContact O-N 3.29Å; E223-R227 IonicContact OE1-CZ 3.99Å; E223-R227 VanDerWaalsContact OE1-CZ 3.28Å; E223-R227 IonicContact OE1-NE 3.18Å; E223-R227 PolarHBondContact OE1-NE 2.93Å; E223-R227 IonicContact OE1-NH2 3.28Å; E223-R227 PolarHBondContact OE1-NH2 2.7Å; E223-R227 IonicContact OE2-NH2 2.65Å; Q224-R227 PolarHBondContact O-N 3.42Å; K225-R227 VanDerWaalsContact C-N 3.35Å; K225-R227 PolarHBondContact O-N 3.29Å; R227-K230 PolarHBondContact O-N 3.42Å; R227-S231 PolarHBondContact O-N 3.02Å
228L78Confident80.4Confident113 Ų113103.1 Ų103.159%0.59252%0.523SS*.Hα-helixtrans-61.2-49176.5-71.2172000111.3Q224 K225 K230 S231 E232Q224-L228 WeakPolarHBondContact O-CG 3.47Å; Q224-L228 PolarHBondContact O-N 3Å; K225-L228 PolarHBondContact O-N 2.88Å; L228-K230 PolarHBondContact O-N 2.94Å; L228-S231 WeakPolarHBondContact O-CB 3.42Å; L228-S231 PolarHBondContact O-N 3.39Å; L228-S231 VanDerWaalsContact O-N 3.1Å; L228-S231 PolarHBondContact O-OG 3.44Å; L228-E232 PolarHBondContact O-N 3.49Å
229V81.4Confident80.7Confident70 Ų70108.5 Ų108.542%0.42453%0.534SS..Hα-helixtrans-62.2-40.8178.6176.50000112.2K225 C226 S231 E232 K233K225-V229 WeakPolarHBondContact O-CG2 3.27Å; K225-V229 PolarHBondContact O-N 3.05Å; K225-V229 VanDerWaalsContact O-N 3.09Å; C226-V229 PolarHBondContact O-N 2.85Å; V229-S231 VanDerWaalsContact C-N 3.3Å; V229-S231 PolarHBondContact O-N 3.14Å; V229-E232 PolarHBondContact O-N 3.46Å; V229-K233 HydrophobicContact CG1-CD 4.24Å; V229-K233 HydrophobicContact CG1-CG 4.46Å; V229-K233 WeakPolarHBondContact O-CG 3.44Å; V229-K233 PolarHBondContact O-N 3.46Å
230K78.9Confident80.8Confident159 Ų159108.6 Ų108.669%0.69153%0.534SS*.Hα-helixtrans-61.3-41175-75.5175.5-178.5177.30111.3C226 R227 L228 E232 K233 G234C226-K230 WeakPolarHBondContact O-CG 3.43Å; C226-K230 PolarHBondContact O-N 3.09Å; R227-K230 PolarHBondContact O-N 3.42Å; L228-K230 PolarHBondContact O-N 2.94Å; K230-E232 VanDerWaalsContact C-N 3.35Å; K230-E232 PolarHBondContact O-N 2.95Å; K230-K233 PolarHBondContact O-N 3.02Å; K230-G234 PolarHBondContact O-N 3.49Å
231S74.3Confident80.9Confident48 Ų48111.5 Ų111.534%0.33654%0.544SS..Hα-helixtrans-64-39.1177.686.50000112.1R227 L228 V229 G234 K235R227-S231 PolarHBondContact O-N 3.02Å; L228-S231 WeakPolarHBondContact O-CB 3.42Å; L228-S231 PolarHBondContact O-N 3.39Å; L228-S231 VanDerWaalsContact O-N 3.1Å; L228-S231 PolarHBondContact O-OG 3.44Å; V229-S231 VanDerWaalsContact C-N 3.3Å; V229-S231 PolarHBondContact O-N 3.14Å; S231-G234 PolarHBondContact O-N 3.31Å; S231-K235 WeakPolarHBondContact O-CB 3.44Å; S231-K235 VanDerWaalsContact O-CG 3.24Å; S231-K235 WeakPolarHBondContact O-CG 3.24Å; S231-K235 PolarHBondContact O-N 3.29Å
232E76Confident81.1Confident126 Ų126113.3 Ų113.359%0.58955%0.551SS**Hα-helixtrans-70.1-42.7177-70.7-168.7152.400112.6L228 V229 K230 G234 K235 T236L228-E232 PolarHBondContact O-N 3.49Å; V229-E232 PolarHBondContact O-N 3.46Å; K230-E232 VanDerWaalsContact C-N 3.35Å; K230-E232 PolarHBondContact O-N 2.95Å; E232-G234 VanDerWaalsContact C-N 3.33Å; E232-G234 PolarHBondContact O-N 3.01Å; E232-K235 PolarHBondContact O-N 3.45Å; E232-T236 WeakPolarHBondContact O-CB 3.38Å; E232-T236 PolarHBondContact O-N 3.4Å; E232-T236 PolarHBondContact O-OG1 2.89Å
233K75.4Confident81.4Confident135 Ų135116.3 Ų116.359%0.58756%0.557SS**Hα-helixtrans-59.1-45.1173.6-74.1-178.9-180-179.50110.9V229 K230 T236 Q237V229-K233 HydrophobicContact CG1-CD 4.24Å; V229-K233 HydrophobicContact CG1-CG 4.46Å; V229-K233 WeakPolarHBondContact O-CG 3.44Å; V229-K233 PolarHBondContact O-N 3.46Å; K230-K233 PolarHBondContact O-N 3.02Å; K233-T236 PolarHBondContact O-N 2.95Å; K233-Q237 WeakPolarHBondContact O-CG 3.34Å; K233-Q237 PolarHBondContact O-N 3.1Å
234G75.7Confident81.8Confident38 Ų38119 Ų11939%0.39257%0.566SS.*Hα-helixtrans-61.3-46.717600000113.1K230 S231 E232 T236 Q237 A238K230-G234 PolarHBondContact O-N 3.49Å; S231-G234 PolarHBondContact O-N 3.31Å; E232-G234 VanDerWaalsContact C-N 3.33Å; E232-G234 PolarHBondContact O-N 3.01Å; G234-T236 VanDerWaalsContact C-N 3.31Å; G234-T236 PolarHBondContact O-N 2.97Å; G234-Q237 PolarHBondContact O-N 2.97Å; G234-A238 WeakPolarHBondContact O-CB 3.47Å; G234-A238 PolarHBondContact O-N 2.94Å
235K76.9Confident82.1Confident136 Ų136119.6 Ų119.659%0.59157%0.568SS**Hα-helixtrans-60.4-40.5175.7-74.7170.8-178.4176.10111.8S231 E232 A238 R239S231-K235 WeakPolarHBondContact O-CB 3.44Å; S231-K235 VanDerWaalsContact O-CG 3.24Å; S231-K235 WeakPolarHBondContact O-CG 3.24Å; S231-K235 PolarHBondContact O-N 3.29Å; E232-K235 PolarHBondContact O-N 3.45Å; K235-A238 PolarHBondContact O-N 3.31Å; K235-R239 WeakPolarHBondContact O-CB 3.5Å; K235-R239 WeakPolarHBondContact O-CG 3.42Å; K235-R239 PolarHBondContact O-N 3.37Å
236T78.9Confident82.3Confident75 Ų75116.8 Ų116.846%0.4656%0.559SS.*Hα-helixtrans-67.1-43.4-180-56.50000111.7E232 K233 G234 R239 K240E232-T236 WeakPolarHBondContact O-CB 3.38Å; E232-T236 PolarHBondContact O-N 3.4Å; E232-T236 PolarHBondContact O-OG1 2.89Å; K233-T236 PolarHBondContact O-N 2.95Å; G234-T236 VanDerWaalsContact C-N 3.31Å; G234-T236 PolarHBondContact O-N 2.97Å; T236-R239 PolarHBondContact O-N 2.77Å; T236-K240 WeakPolarHBondContact O-CG 3.47Å; T236-K240 PolarHBondContact O-N 3.47Å
237Q82.3Confident82.7Confident134 Ų134119.7 Ų119.763%0.62657%0.565SS**Hα-helixtrans-64.8-43174.9-72.5-173.52.700112.2K233 G234 R239 K240 M241K233-Q237 WeakPolarHBondContact O-CG 3.34Å; K233-Q237 PolarHBondContact O-N 3.1Å; G234-Q237 PolarHBondContact O-N 2.97Å; Q237-R239 VanDerWaalsContact C-N 3.34Å; Q237-R239 PolarHBondContact O-N 3.34Å; Q237-K240 PolarHBondContact O-N 3.01Å; Q237-M241 PolarHBondContact O-N 2.94Å
238A81.8Confident83.2Confident54 Ų54120 Ų12045%0.44657%0.571SS.*Hα-helixtrans-59.2-44.817600000111.7G234 K235 K240 M241 Q242G234-A238 WeakPolarHBondContact O-CB 3.47Å; G234-A238 PolarHBondContact O-N 2.94Å; K235-A238 PolarHBondContact O-N 3.31Å; A238-K240 PolarHBondContact O-N 3.44Å; A238-M241 PolarHBondContact O-N 2.97Å; A238-Q242 WeakPolarHBondContact O-CB 3.47Å; A238-Q242 PolarHBondContact O-N 3.4Å
239R85.4Confident83.8Confident179 Ų179120.9 Ų120.968%0.67557%0.57SS**Hα-helixtrans-60.2-42.9174.3-76177.5175.7-173.5-0.4112.1K235 T236 Q237 Q242 R243K235-R239 WeakPolarHBondContact O-CB 3.5Å; K235-R239 WeakPolarHBondContact O-CG 3.42Å; K235-R239 PolarHBondContact O-N 3.37Å; T236-R239 PolarHBondContact O-N 2.77Å; Q237-R239 VanDerWaalsContact C-N 3.34Å; Q237-R239 PolarHBondContact O-N 3.34Å; R239-Q242 PolarHBondContact O-N 3.12Å; R239-R243 WeakPolarHBondContact O-CG 3.48Å; R239-R243 PolarHBondContact O-N 3.18Å
240K88.3Confident84.2Confident142 Ų142124.9 Ų124.962%0.61758%0.582SS**Hα-helixtrans-61.7-44.8175.9-76.5-177.9179.4-178.50111.8T236 Q237 A238 R243 K244T236-K240 WeakPolarHBondContact O-CG 3.47Å; T236-K240 PolarHBondContact O-N 3.47Å; Q237-K240 PolarHBondContact O-N 3.01Å; A238-K240 PolarHBondContact O-N 3.44Å; K240-R243 PolarHBondContact O-N 3.43Å; K240-K244 PolarHBondContact O-N 3.37Å; K240-K244 VanDerWaalsContact O-N 3.12Å
241M86.6Confident84.7Confident140 Ų140120.9 Ų120.969%0.6957%0.571SS**Hα-helixtrans-63.7-41.4176.4-78.8-145.4-84.600112.5Q237 A238 K244 K245Q237-M241 PolarHBondContact O-N 2.94Å; A238-M241 PolarHBondContact O-N 2.97Å; M241-K244 PolarHBondContact O-N 3.32Å; M241-K245 PolarHBondContact O-N 2.99Å
242Q88.4Confident85.3Confident119 Ų119125.8 Ų125.856%0.55659%0.586SS**Hα-helixtrans-64.7-40.5177.8-165.3176.86.700111.9A238 R239 K245 N246A238-Q242 WeakPolarHBondContact O-CB 3.47Å; A238-Q242 PolarHBondContact O-N 3.4Å; R239-Q242 PolarHBondContact O-N 3.12Å; Q242-K245 PolarHBondContact O-N 2.93Å; Q242-N246 WeakPolarHBondContact O-CB 3.46Å; Q242-N246 VanDerWaalsContact O-CG 3.27Å; Q242-N246 PolarHBondContact O-N 3.4Å
243R90.5Very high85.8Confident190 Ų190126 Ų12672%0.71759%0.585SS**Hα-helixtrans-59-47.4173.1-77.5-177.5175.8-172.6-0.5111.9R239 K240 K245 N246 Q247R239-R243 WeakPolarHBondContact O-CG 3.48Å; R239-R243 PolarHBondContact O-N 3.18Å; K240-R243 PolarHBondContact O-N 3.43Å; R243-K245 PolarHBondContact O-N 3.44Å; R243-N246 PolarHBondContact O-N 2.96Å; R243-Q247 PolarHBondContact O-N 3.09Å
244K90.8Very high86.1Confident154 Ų154125.6 Ų125.667%0.6759%0.585SS**Hα-helixtrans-59.7-42.9175.8-73.8-173.5176.6-175.50112.1K240 M241 Q247 K248K240-K244 PolarHBondContact O-N 3.37Å; K240-K244 VanDerWaalsContact O-N 3.12Å; M241-K244 PolarHBondContact O-N 3.32Å; K244-Q247 PolarHBondContact O-N 3.49Å; K244-K248 PolarHBondContact O-N 3.26Å
245K91Very high86.5Confident136 Ų136132.9 Ų132.959%0.59160%0.6SS**Hα-helixtrans-63-42.1177.1-168.4174.2-175.7174.20111.8M241 Q242 R243 K248 K249M241-K245 PolarHBondContact O-N 2.99Å; Q242-K245 PolarHBondContact O-N 2.93Å; R243-K245 PolarHBondContact O-N 3.44Å; K245-K248 PolarHBondContact O-N 3.3Å; K245-K249 WeakPolarHBondContact O-CG 3.46Å; K245-K249 PolarHBondContact O-N 3.04Å; K245-K249 VanDerWaalsContact O-N 3.09Å
246N89.3Confident86.7Confident78 Ų78134.4 Ų134.442%0.41761%0.607SS.*Hα-helixtrans-67.3-39.4178.2-71.8-12.6000112.2Q242 R243 K249 K250Q242-N246 WeakPolarHBondContact O-CB 3.46Å; Q242-N246 VanDerWaalsContact O-CG 3.27Å; Q242-N246 PolarHBondContact O-N 3.4Å; R243-N246 PolarHBondContact O-N 2.96Å; N246-K249 PolarHBondContact O-N 2.99Å; N246-K250 PolarHBondContact O-N 3.43Å
247Q88.3Confident86.7Confident133 Ų133138.8 Ų138.862%0.62162%0.615SS**Hα-helixtrans-62.7-47.9173.6-76.5178.8-11.700112R243 K244 K249 K250 V251R243-Q247 PolarHBondContact O-N 3.09Å; K244-Q247 PolarHBondContact O-N 3.49Å; Q247-K249 VanDerWaalsContact C-N 3.28Å; Q247-K249 PolarHBondContact O-N 3.11Å; Q247-K250 PolarHBondContact O-N 3.36Å; Q247-K250 VanDerWaalsContact O-N 3.11Å; Q247-V251 WeakPolarHBondContact O-CG2 3.46Å; Q247-V251 PolarHBondContact O-N 3.29Å
248K89.5Confident86.4Confident162 Ų162140 Ų14070%0.70462%0.618SS**Hα-helixtrans-56-41.5174.8-93.9-175175.2179.60112.2K244 K245 K252K244-K248 PolarHBondContact O-N 3.26Å; K245-K248 PolarHBondContact O-N 3.3Å; K248-K252 WeakPolarHBondContact O-CG 3.49Å; K248-K252 PolarHBondContact O-N 3.05Å
249K90.3Very high85.8Confident130 Ų130139.6 Ų139.657%0.56562%0.62SS**Hα-helixtrans-64.6-42.5176.1-75.5-176.9176.2-172.60112.4K245 N246 Q247 K252 K253K245-K249 WeakPolarHBondContact O-CG 3.46Å; K245-K249 PolarHBondContact O-N 3.04Å; K245-K249 VanDerWaalsContact O-N 3.09Å; N246-K249 PolarHBondContact O-N 2.99Å; Q247-K249 VanDerWaalsContact C-N 3.28Å; Q247-K249 PolarHBondContact O-N 3.11Å; K249-K252 PolarHBondContact O-N 2.99Å; K249-K253 WeakPolarHBondContact O-CB 3.46Å; K249-K253 PolarHBondContact O-N 2.98Å
250K89.8Confident84.9Confident154 Ų154138.4 Ų138.467%0.6762%0.619SS**Hα-helixtrans-61-46.7176.1-76.9-173.4177-173.20111.7N246 Q247 K252 K253 Q254N246-K250 PolarHBondContact O-N 3.43Å; Q247-K250 PolarHBondContact O-N 3.36Å; Q247-K250 VanDerWaalsContact O-N 3.11Å; K250-K252 PolarHBondContact O-N 3.45Å; K250-K253 PolarHBondContact O-N 3.27Å; K250-Q254 PolarHBondContact O-N 3.21Å
251V88.6Confident83.6Confident76 Ų76139.8 Ų139.846%0.46163%0.626SS.*Hα-helixtrans-61.6-44.9177.81760000111.4Q247 K253 Q254 R255Q247-V251 WeakPolarHBondContact O-CG2 3.46Å; Q247-V251 PolarHBondContact O-N 3.29Å; V251-K253 VanDerWaalsContact C-N 3.34Å; V251-K253 PolarHBondContact O-N 2.95Å; V251-Q254 PolarHBondContact O-N 3.49Å; V251-R255 PolarHBondContact O-N 3.06Å
252K87.8Confident82.2Confident151 Ų151141.7 Ų141.766%0.65763%0.63SS**Hα-helixtrans-59.6-42.5174.9-76.6-172.9176.8-169.30112.1K248 K249 K250 R255 K256K248-K252 WeakPolarHBondContact O-CG 3.49Å; K248-K252 PolarHBondContact O-N 3.05Å; K249-K252 PolarHBondContact O-N 2.99Å; K250-K252 PolarHBondContact O-N 3.45Å; K252-R255 PolarHBondContact O-N 3.42Å; K252-K256 WeakPolarHBondContact O-CG 3.46Å; K252-K256 PolarHBondContact O-N 2.98Å
253K85.8Confident80.7Confident131 Ų131139.8 Ų139.857%0.5764%0.635SS**Hα-helixtrans-65.1-39.2177.9-167.9174.5-178.4177.20111.9K249 K250 V251 R257K249-K253 WeakPolarHBondContact O-CB 3.46Å; K249-K253 PolarHBondContact O-N 2.98Å; K250-K253 PolarHBondContact O-N 3.27Å; V251-K253 VanDerWaalsContact C-N 3.34Å; V251-K253 PolarHBondContact O-N 2.95Å; K253-R257 WeakPolarHBondContact O-CG 3.48Å; K253-R257 PolarHBondContact O-N 3.42Å; K253-R257 VanDerWaalsContact O-N 3.13Å
254Q83Confident79Confident125 Ų125136.5 Ų136.558%0.58463%0.631SS**Hα-helixtrans-66.4-43.2174.9-74.2-176.3-4.100112.5K250 V251 K256 R257 K258K250-Q254 PolarHBondContact O-N 3.21Å; V251-Q254 PolarHBondContact O-N 3.49Å; Q254-K256 PolarHBondContact O-N 3.2Å; Q254-R257 PolarHBondContact O-N 2.95Å; Q254-K258 PolarHBondContact O-N 3.13Å
255R83.5Confident77Confident191 Ų191137.3 Ų137.372%0.72164%0.635SS**Hα-helixtrans-59.2-43.8175-76.7-172.7170.9-166.6-2.5112.1V251 K252 R257 K258 G259V251-R255 PolarHBondContact O-N 3.06Å; K252-R255 PolarHBondContact O-N 3.42Å; R255-R257 VanDerWaalsContact C-N 3.35Å; R255-R257 PolarHBondContact O-N 2.93Å; R255-K258 PolarHBondContact O-N 3.29Å; R255-G259 PolarHBondContact O-N 3.44Å
256K80.2Confident75Confident169 Ų169136.4 Ų136.474%0.73564%0.643SS**Hα-helixtrans-60.4-40.8174.9-73.2-170.4175.3-163.30112.8K252 Q254 G259 K260K252-K256 WeakPolarHBondContact O-CG 3.46Å; K252-K256 PolarHBondContact O-N 2.98Å; Q254-K256 PolarHBondContact O-N 3.2Å; K256-G259 PolarHBondContact O-N 3.49Å; K256-K260 PolarHBondContact O-N 3.16Å; K256-K260 VanDerWaalsContact O-N 3.1Å
257R79.6Confident72.9Confident167 Ų167141.7 Ų141.763%0.6367%0.665SS**Hα-helixtrans-65.6-41.1176.2-74.6179.2172-174.3-4.9112.6K253 Q254 R255 K261K253-R257 WeakPolarHBondContact O-CG 3.48Å; K253-R257 PolarHBondContact O-N 3.42Å; K253-R257 VanDerWaalsContact O-N 3.13Å; Q254-R257 PolarHBondContact O-N 2.95Å; R255-R257 VanDerWaalsContact C-N 3.35Å; R255-R257 PolarHBondContact O-N 2.93Å; R257-K261 PolarHBondContact O-N 3.1Å
258K74.9Confident70.9Confident159 Ų159143.6 Ų143.669%0.69167%0.673SS**Hα-helixtrans-68-38.5176.4-71.3-169.9177.3-171.20112.4Q254 R255 K261 K262Q254-K258 PolarHBondContact O-N 3.13Å; R255-K258 PolarHBondContact O-N 3.29Å; K258-K261 PolarHBondContact O-N 3.23Å; K258-K262 PolarHBondContact O-N 3.49Å
259G69.2Low68.6Low46 Ų46143.4 Ų143.447%0.47468%0.675SS.*Hα-helixtrans-62.8-43.4175.200000112.5R255 K256 K261 K262 A263R255-G259 PolarHBondContact O-N 3.44Å; K256-G259 PolarHBondContact O-N 3.49Å; G259-K261 PolarHBondContact O-N 3.22Å; G259-K262 PolarHBondContact O-N 3.4Å; G259-A263 PolarHBondContact O-N 3.27Å
260K68.3Low66.4Low153 Ų153143.3 Ų143.367%0.66568%0.68SS**Hα-helixtrans-64.7-40.3178.2-154.7176.7-178.3-172.70112.5K256 K262 A263 D264K256-K260 PolarHBondContact O-N 3.16Å; K256-K260 VanDerWaalsContact O-N 3.1Å; K260-K262 VanDerWaalsContact C-N 3.26Å; K260-K262 PolarHBondContact O-N 3.36Å; K260-A263 PolarHBondContact O-N 3.48Å; K260-A263 VanDerWaalsContact O-N 3.16Å; K260-D264 PolarHBondContact O-N 3.44Å
261K59.6Low64.1Low172 Ų172141.9 Ų141.975%0.74868%0.68SS**Hα-helixtrans-64.9-21.6175.6-78.4-166173.9-164.10114.9R257 K258 G259R257-K261 PolarHBondContact O-N 3.1Å; K258-K261 PolarHBondContact O-N 3.23Å; G259-K261 PolarHBondContact O-N 3.22Å
262K57.2Low61.9Low180 Ų180144 Ų14478%0.78369%0.689SS**Hα-helixtrans-85-22174.5-77.1-162.9174.8-167.10113K258 G259 K260K258-K262 PolarHBondContact O-N 3.49Å; G259-K262 PolarHBondContact O-N 3.4Å; K260-K262 VanDerWaalsContact C-N 3.26Å; K260-K262 PolarHBondContact O-N 3.36Å
263A57.7Low59.6Low79 Ų79142.9 Ų142.965%0.65370%0.695SS**Hα-helixtrans-78.9-26.4175.600000112.4G259 K260 K265G259-A263 PolarHBondContact O-N 3.27Å; K260-A263 PolarHBondContact O-N 3.48Å; K260-A263 VanDerWaalsContact O-N 3.16Å; A263-K265 VanDerWaalsContact C-N 3.32Å; A263-K265 PolarHBondContact O-N 3.37Å
264D54.8Low57.4Low121 Ų121142 Ų14265%0.64770%0.7SS**THydrogen-bonded Turntrans-91.225.1177.5-71-33.7000113.4K260 P266K260-D264 PolarHBondContact O-N 3.44Å; D264-P266 WeakPolarHBondContact O-CD 3.45Å
265K49.1Very low55.4Low171 Ų171145.4 Ų145.474%0.74371%0.713SS**SBendtrans-85.9115.9163.5-84.4-164.9173.2-164.10107.6A263 H267A263-K265 VanDerWaalsContact C-N 3.32Å; A263-K265 PolarHBondContact O-N 3.37Å; K265-H267 PolarHBondContact O-N 3.36Å
266P48.6Very low53.2Low117 Ų117142.1 Ų142.176%0.7672%0.718SS**  trans-57.1133.6178.4-18.429.7000109.3D264 Q268D264-P266 WeakPolarHBondContact O-CD 3.45Å; P266-Q268 PolarHBondContact O-N 2.95Å
267H45.8Very low51.4Low189 Ų189139 Ų13988%0.87572%0.717SS**  trans-51.7106.3159.3-114.5-85.1000106.4K265 E269K265-H267 PolarHBondContact O-N 3.36Å; H267-E269 PolarHBondContact O-N 2.93Å
268Q45.3Very low49.5Very low172 Ų172138.9 Ų138.980%0.80473%0.729SS**  trans-66.894.2154.9-94.2177.6-22.300104.7P266 L270P266-Q268 PolarHBondContact O-N 2.95Å; Q268-L270 PolarHBondContact O-N 3.03Å
269E42.3Very low47.8Very low159 Ų159135 Ų13574%0.74374%0.735SS**  trans-59.789.4159.7-161.1165.4-153.900105.4H267 D271H267-E269 PolarHBondContact O-N 2.93Å; E269-D271 PolarHBondContact O-N 2.92Å
270L43.6Very low46.5Very low128 Ų128142.3 Ų142.367%0.6775%0.753SS**  trans-72.890.1165.8-77169000105.5Q268 N272Q268-L270 PolarHBondContact O-N 3.03Å; L270-N272 PolarHBondContact O-N 3.16Å
271D40.4Very low45.2Very low124 Ų124142.6 Ų142.666%0.66376%0.761SS**  trans-60.672.8156.6-75.8-32000108.7E269 T273E269-D271 PolarHBondContact O-N 2.92Å; D271-T273 PolarHBondContact O-N 2.79Å; D271-T273 VanDerWaalsContact O-N 3.16Å
272N43.3Very low44.4Very low121 Ų121141.4 Ų141.465%0.64776%0.761SS**  trans-86.877.4162.9-69.9-8.1000106.6L270 T274L270-N272 PolarHBondContact O-N 3.16Å; N272-T274 PolarHBondContact O-N 2.84Å
273T40.2Very low43.5Very low127 Ų127140.6 Ų140.678%0.77976%0.76SS**  trans-59.284.3156.347.10000108.4D271D271-T273 PolarHBondContact O-N 2.79Å; D271-T273 VanDerWaalsContact O-N 3.16Å
274T39.2Very low42.8Very low111 Ų111144.3 Ų144.368%0.68177%0.768SS**  trans-10694.8159.1-35.50000106.4N272 C276N272-T274 PolarHBondContact O-N 2.84Å; T274-C276 VanDerWaalsContact C-N 3.34Å; T274-C276 PolarHBondContact O-N 2.91Å
275K41.3Very low42.6Very low197 Ų197146.9 Ų146.986%0.85780%0.795SS**  trans-54.799166-72.1175.2176176.10107.7S277K275-S277 PolarHBondContact O-N 3.35Å
276C36.9Very low42.2Very low123 Ų123145.7 Ų145.783%0.83180%0.798SS**  trans-73.485.4165.1-70.70000107.9T274 N278T274-C276 VanDerWaalsContact C-N 3.34Å; T274-C276 PolarHBondContact O-N 2.91Å; C276-N278 PolarHBondContact O-N 2.97Å
277S42.4Very low41.9Very low103 Ų103147.2 Ų147.272%0.7280%0.8SS**  trans-69.7113.4165.351.20000109.4K275K275-S277 PolarHBondContact O-N 3.35Å
278N39.2Very low41.7Very low165 Ų165144.9 Ų144.988%0.88280%0.795SS**  trans37.385.1143.8-62.5-13.7000117.2C276C276-N278 PolarHBondContact O-N 2.97Å
279G39.9Very low41.5Very low78 Ų78143.3 Ų143.380%0.80480%0.795SS**  trans-109.597.1164.600000110.9
280K40.9Very low41.4Very low198 Ų198142.3 Ų142.386%0.86180%0.798SS**  trans-25.2125.6172-120.8161.5176.4174.50115.6I282K280-I282 PolarHBondContact O-N 3.38Å
281L40.6Very low41.3Very low159 Ų159143.3 Ų143.383%0.83281%0.807SS**  trans-60117.9158.2-107.381.6000108.7
282I44.4Very low41.3Very low147 Ų147144.6 Ų144.675%0.75482%0.817SS**  trans-96.6108.3161-62.3174.6000105.9K280 I284K280-I282 PolarHBondContact O-N 3.38Å; I282-I284 PolarHBondContact O-N 3.32Å
283H37.7Very low41.2Very low164 Ų164146.5 Ų146.576%0.75983%0.83SS**  trans-71.5113.3172.4-128.9-88.4000107.5
284I42.3Very low41.3Very low157 Ų157148.1 Ų148.181%0.80583%0.834SS**  trans-94.3106.6167.9-59172.9000105.8I282I282-I284 PolarHBondContact O-N 3.32Å
285S50.6Low41.5Very low175 Ų175151.5 Ų151.5100%1.22485%0.848SS**  trans-92.90159.750.50000109.1

Retrieved 285 of 285 residues in 684.7 ms (Link to these results)