A0A077ZHL7_TRITR Loading...

60S ribosomal protein L23a

AlphaFold DB , UniProt , Accession A0A077ZHL7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 178 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
1V53.2Low54.8Low162 Ų162157.8 Ų157.898%0.98278%0.775SS**  0-40.70-1650000113.3A3V1-A3 VanDerWaalsContact C-N 3.28Å; V1-A3 PolarHBondContact O-N 3.43Å
2Q53.7Low53.6Low198 Ų198155.5 Ų155.593%0.92578%0.777SS**THydrogen-bonded Turntrans-77.8-2.4175.9-70-179.2-13.600115.3
3A56.3Low53.6Low79 Ų79154.7 Ų154.765%0.65378%0.775SS**THydrogen-bonded Turntrans-93.4-16-177.300000114.9V1V1-A3 VanDerWaalsContact C-N 3.28Å; V1-A3 PolarHBondContact O-N 3.43Å
4E55.7Low52.8Low144 Ų144157.3 Ų157.367%0.67378%0.779SS**SBendtrans-88.7-19.9-173.4-79.7171.6134.900114.5K6E4-K6 VanDerWaalsContact C-N 3.35Å; E4-K6 PolarHBondContact O-N 3.37Å
5I59.4Low52Low138 Ų138158 Ų15871%0.70879%0.787SS**THydrogen-bonded Turntrans-80.4-17.1-174.7-59.2174.6000112.1
6K58.9Low51.5Low180 Ų180153.5 Ų153.578%0.78378%0.782SS**THydrogen-bonded Turntrans-78.7-22.6175.9-101.3179.8176.5178.60113.9E4E4-K6 VanDerWaalsContact C-N 3.35Å; E4-K6 PolarHBondContact O-N 3.37Å
7Q55.6Low51Low151 Ų151151.5 Ų151.571%0.70679%0.785SS**THydrogen-bonded Turntrans-81.9-17-178.4-70.9-168.21.200114.3R9Q7-R9 VanDerWaalsContact C-N 3.28Å; Q7-R9 PolarHBondContact O-N 3.35Å
8V55Low50.5Low116 Ų116154.7 Ų154.770%0.70379%0.792SS**G310 helixtrans-75.6-20.2175.1-176.90000111.6Q10V8-Q10 PolarHBondContact O-N 3.22Å
9R49.9Very low49.7Very low220 Ų220157.3 Ų157.383%0.8380%0.797SS**G310 helixtrans-80.1-7.9-177.8-103.7-179.3172.8-177.2-2.1115.8Q7Q7-R9 VanDerWaalsContact C-N 3.28Å; Q7-R9 PolarHBondContact O-N 3.35Å
10Q54Low49.1Very low163 Ų163156.6 Ų156.676%0.76280%0.801SS**G310 helixtrans-110.5-3.4-177.7-71.7-179.4-12.100114.5V8V8-Q10 PolarHBondContact O-N 3.22Å
11K51.2Low48.9Very low185 Ų185157.9 Ų157.980%0.80480%0.804SS**THydrogen-bonded Turntrans-938.2-171.4-95.1-177.8177.21780116.9
12T40.9Very low48.2Very low130 Ų130155.5 Ų155.580%0.79879%0.792SS**THydrogen-bonded Turntrans-127.323.5-178.856.70000115.1
13I52.7Low47.4Very low145 Ų145156 Ų15674%0.74479%0.791SS**SBendtrans-101-1.1179.7-65.7175.6000113.9
14K42.3Very low46.4Very low191 Ų191161.5 Ų161.583%0.8380%0.8SS**  trans-128.697.3-179.8-78.5-179.3176.9178.50111.8
15N42Very low45.6Very low168 Ų168163.9 Ų163.990%0.89881%0.811SS**  trans170.8133.1147.8-85.4-14.1000106.1
16A44Very low44.7Very low86 Ų86166.6 Ų166.671%0.71182%0.818SS**  cis-171.2126.6-12.300000101.6K18A16-K18 PolarHBondContact O-N 3.15Å
17S42.4Very low44.2Very low120 Ų120165.3 Ų165.384%0.83982%0.818SS**  trans-52.3128.4173.749.30000112.3
18K42.6Very low44.3Very low209 Ų209161.3 Ų161.391%0.90980%0.804SS**  trans-142.3112.5149-106.5177.8-178.3177.80109.4A16A16-K18 PolarHBondContact O-N 3.15Å
19K35.4Very low44.2Very low204 Ų204159 Ų15989%0.88779%0.791SS**  trans-57.8137.4169.8-79.6172.7168.9177.80111.1
20T37.4Very low44.7Very low142 Ų142156.6 Ų156.687%0.87179%0.787SS**  trans-165.7108140.8420000108.9
21E45.1Very low45.3Very low184 Ų184154.7 Ų154.786%0.8678%0.778SS**  trans-78178.7162-65.3179.7158.100110.2
22P37.1Very low46.1Very low113 Ų113152.7 Ų152.773%0.73477%0.769SS**  -123.7127.5-55.432.2-17.3000109.2
23K38.5Very low47.5Very low208 Ų208151.8 Ų151.890%0.90476%0.756SS**  trans-133.9106.2175-77.6-175.1179.7174.80112.1
24K34.9Very low48.7Very low195 Ų195148.4 Ų148.485%0.84874%0.741SS**  trans41.5113.8145.4-80177.1173.6177.90116.3K26K24-K26 PolarHBondContact O-N 2.91Å
25Q39Very low50.5Low194 Ų194144.5 Ų144.591%0.90772%0.724SS**  trans-26.393.4156.6-65.8167.9-5.500111.4I27Q25-I27 PolarHBondContact O-N 3.2Å; Q25-I27 VanDerWaalsContact O-N 3.08Å
26K40.6Very low52.4Low195 Ų195139.2 Ų139.285%0.84870%0.704SS**  trans-72103.7164.9-92.4180175.9174.40105.3K24 V28K24-K26 PolarHBondContact O-N 2.91Å; K26-V28 VanDerWaalsContact C-N 3.25Å; K26-V28 PolarHBondContact O-N 3.15Å
27I48.1Very low54.2Low152 Ų152139.1 Ų139.178%0.77970%0.695SS**  trans-47.898.3161.9-63.2158.6000105.8Q25Q25-I27 PolarHBondContact O-N 3.2Å; Q25-I27 VanDerWaalsContact O-N 3.08Å
28V56.7Low56.3Low68 Ų68140.3 Ų140.341%0.41269%0.685SS.*  trans-59.1122.7170.5-176.30000103.8K26 K30 K32 E33K26-V28 VanDerWaalsContact C-N 3.25Å; K26-V28 PolarHBondContact O-N 3.15Å; V28-K30 PolarHBondContact O-N 3.33Å; V28-K32 HydrophobicContact CG1-CB 4.05Å; V28-E33 HydrophobicContact CB-CG 4.43Å; V28-E33 HydrophobicContact CG1-CG 4.06Å
29P52.9Low58.3Low66 Ų66137.7 Ų137.743%0.42967%0.673SS.*  trans-55.6121.6-176.819.7-30.4000106.7E31 K32P29-E31 CarbonylContact O-C 3.5Å; P29-E31 PolarHBondContact O-N 3.18Å; P29-K32 HydrophobicContact CG-CB 4.45Å; P29-K32 HydrophobicContact CG-CD 3.83Å; P29-K32 HydrophobicContact CG-CG 3.97Å; P29-K32 PolarHBondContact O-N 3.28Å
30K60.6Low60.7Low171 Ų171131 Ų13174%0.74366%0.656SS**Hα-helixtrans-45.9-27.6-174-74.7177176.5174.70112.2V28 K32 V34V28-K30 PolarHBondContact O-N 3.33Å; K30-K32 PolarHBondContact O-N 3.05Å; K30-V34 WeakPolarHBondContact O-CB 2.95Å; K30-V34 WeakPolarHBondContact O-CG2 3.48Å; K30-V34 PolarHBondContact O-N 3.18Å
31E67.6Low63.1Low123 Ų123128.3 Ų128.358%0.57564%0.636SS**Hα-helixtrans-55.4-41.8169.5-89.3-154.4106.800116.4P29 V34 K35P29-E31 CarbonylContact O-C 3.5Å; P29-E31 PolarHBondContact O-N 3.18Å; E31-V34 PolarHBondContact O-N 2.84Å; E31-K35 WeakPolarHBondContact O-CB 3.48Å; E31-K35 WeakPolarHBondContact O-CG 3.47Å; E31-K35 PolarHBondContact O-N 3.37Å; E31-K35 WeakPolarHBondContact OE1-CE 3.13Å; E31-K35 IonicContact OE1-NZ 3.1Å; E31-K35 PolarHBondContact OE1-NZ 3.36Å; E31-K35 IonicContact OE2-NZ 2.84Å
32K67Low65Low142 Ų142121.9 Ų121.962%0.61761%0.614SS**Hα-helixtrans-70.3-39.8-177.9-74.5-176.8-176-1790111.3V28 P29 K30 K35 A36V28-K32 HydrophobicContact CG1-CB 4.05Å; P29-K32 HydrophobicContact CG-CB 4.45Å; P29-K32 HydrophobicContact CG-CD 3.83Å; P29-K32 HydrophobicContact CG-CG 3.97Å; P29-K32 PolarHBondContact O-N 3.28Å; K30-K32 PolarHBondContact O-N 3.05Å; K32-K35 PolarHBondContact O-N 3.21Å; K32-A36 WeakPolarHBondContact O-CB 3.44Å; K32-A36 PolarHBondContact O-N 3.33Å
33E71.3Confident67.2Low112 Ų112120.5 Ų120.552%0.52360%0.603SS.*Hα-helixtrans-65.7-44.7172.3-69.3-175.5165.400111.1V28 K35 A36 V37V28-E33 HydrophobicContact CB-CG 4.43Å; V28-E33 HydrophobicContact CG1-CG 4.06Å; E33-K35 VanDerWaalsContact C-N 3.31Å; E33-K35 PolarHBondContact O-N 2.77Å; E33-A36 PolarHBondContact O-N 3.49Å; E33-A36 VanDerWaalsContact O-N 3.16Å; E33-V37 WeakPolarHBondContact O-CB 3.31Å; E33-V37 VanDerWaalsContact O-CG2 3.28Å; E33-V37 WeakPolarHBondContact O-CG2 3.18Å; E33-V37 PolarHBondContact O-N 2.93Å
34V76.7Confident69.3Low73 Ų73116.8 Ų116.844%0.44259%0.587SS.*Hα-helixtrans-61.1-38.8176.1172.60000111.4K30 E31 K38K30-V34 WeakPolarHBondContact O-CB 2.95Å; K30-V34 WeakPolarHBondContact O-CG2 3.48Å; K30-V34 PolarHBondContact O-N 3.18Å; E31-V34 PolarHBondContact O-N 2.84Å; V34-K38 HydrophobicContact CG1-CD 4.2Å; V34-K38 WeakPolarHBondContact O-CB 3.44Å; V34-K38 VanDerWaalsContact O-CG 3.25Å; V34-K38 WeakPolarHBondContact O-CG 3.2Å; V34-K38 PolarHBondContact O-N 3.07Å
35K80.4Confident71.5Confident109 Ų109114.3 Ų114.347%0.47458%0.577SS.*Hα-helixtrans-67.7-39.4175.4-75.3166.7-172.1163.80111.9E31 K32 E33 K39E31-K35 WeakPolarHBondContact O-CB 3.48Å; E31-K35 WeakPolarHBondContact O-CG 3.47Å; E31-K35 PolarHBondContact O-N 3.37Å; E31-K35 WeakPolarHBondContact OE1-CE 3.13Å; E31-K35 IonicContact OE1-NZ 3.1Å; E31-K35 PolarHBondContact OE1-NZ 3.36Å; E31-K35 IonicContact OE2-NZ 2.84Å; K32-K35 PolarHBondContact O-N 3.21Å; E33-K35 VanDerWaalsContact C-N 3.31Å; E33-K35 PolarHBondContact O-N 2.77Å; K35-K39 WeakPolarHBondContact O-CG 3.44Å; K35-K39 PolarHBondContact O-N 3.43Å
36A81.4Confident73.3Confident58 Ų58112.7 Ų112.748%0.47957%0.567SS.*Hα-helixtrans-67-45.117600000112.1K32 E33 K38 K39 A40K32-A36 WeakPolarHBondContact O-CB 3.44Å; K32-A36 PolarHBondContact O-N 3.33Å; E33-A36 PolarHBondContact O-N 3.49Å; E33-A36 VanDerWaalsContact O-N 3.16Å; A36-K38 PolarHBondContact O-N 3.35Å; A36-K39 PolarHBondContact O-N 3.47Å; A36-A40 WeakPolarHBondContact O-CB 3.35Å; A36-A40 PolarHBondContact O-N 3.02Å
37V83Confident74.8Confident84 Ų84108.4 Ų108.451%0.50955%0.552SS.*Hα-helixtrans-62.1-43.4175.6175.10000110.6E33 K39 A40 L41E33-V37 WeakPolarHBondContact O-CB 3.31Å; E33-V37 VanDerWaalsContact O-CG2 3.28Å; E33-V37 WeakPolarHBondContact O-CG2 3.18Å; E33-V37 PolarHBondContact O-N 2.93Å; V37-K39 PolarHBondContact O-N 3.19Å; V37-A40 PolarHBondContact O-N 2.84Å; V37-L41 HydrophobicContact CG1-CD1 3.82Å; V37-L41 HydrophobicContact CG1-CG 4.15Å; V37-L41 WeakPolarHBondContact O-CB 3.21Å; V37-L41 WeakPolarHBondContact O-CG 3.31Å; V37-L41 PolarHBondContact O-N 2.81Å
38K85.4Confident75.9Confident144 Ų144106.3 Ų106.363%0.62654%0.541SS*.Hα-helixtrans-59.8-42.2174.6-78.9177.4-179.5-178.70112.4V34 A36 A42V34-K38 HydrophobicContact CG1-CD 4.2Å; V34-K38 WeakPolarHBondContact O-CB 3.44Å; V34-K38 VanDerWaalsContact O-CG 3.25Å; V34-K38 WeakPolarHBondContact O-CG 3.2Å; V34-K38 PolarHBondContact O-N 3.07Å; A36-K38 PolarHBondContact O-N 3.35Å; K38-A42 WeakPolarHBondContact O-CB 3.12Å; K38-A42 PolarHBondContact O-N 3.04Å
39K86Confident76.3Confident154 Ų154111.4 Ų111.467%0.6756%0.558SS**Hα-helixtrans-64.8-46.1175.7-74.4178.9-179.5-175.50111.7K35 A36 V37 L41 A42 V43K35-K39 WeakPolarHBondContact O-CG 3.44Å; K35-K39 PolarHBondContact O-N 3.43Å; A36-K39 PolarHBondContact O-N 3.47Å; V37-K39 PolarHBondContact O-N 3.19Å; K39-L41 PolarHBondContact O-N 3.03Å; K39-A42 PolarHBondContact O-N 3.17Å; K39-V43 WeakPolarHBondContact O-CG2 2.93Å; K39-V43 PolarHBondContact O-N 3.17Å
40A85Confident76.7Confident63 Ų63112.3 Ų112.352%0.52157%0.566SS.*Hα-helixtrans-61.8-42.7176.800000111.9A36 V37 A42 V43 K44A36-A40 WeakPolarHBondContact O-CB 3.35Å; A36-A40 PolarHBondContact O-N 3.02Å; V37-A40 PolarHBondContact O-N 2.84Å; A40-A42 PolarHBondContact O-N 3.31Å; A40-V43 PolarHBondContact O-N 3.4Å; A40-K44 WeakPolarHBondContact O-CB 3.14Å; A40-K44 PolarHBondContact O-N 3.25Å
41L87.4Confident76.7Confident86 Ų86108 Ų10845%0.4556%0.562SS.*Hα-helixtrans-64.7-37.2175-70.9175.9000112.2V37 K39 K45V37-L41 HydrophobicContact CG1-CD1 3.82Å; V37-L41 HydrophobicContact CG1-CG 4.15Å; V37-L41 WeakPolarHBondContact O-CB 3.21Å; V37-L41 WeakPolarHBondContact O-CG 3.31Å; V37-L41 PolarHBondContact O-N 2.81Å; K39-L41 PolarHBondContact O-N 3.03Å; L41-K45 WeakPolarHBondContact O-CB 3.46Å; L41-K45 VanDerWaalsContact O-CG 3.28Å; L41-K45 WeakPolarHBondContact O-CG 3.03Å; L41-K45 PolarHBondContact O-N 3.49Å
42A85.5Confident76.2Confident50 Ų50112.2 Ų112.241%0.41357%0.573SS.*Hα-helixtrans-66.8-42.4175.500000112.1K38 K39 A40 K45 K46K38-A42 WeakPolarHBondContact O-CB 3.12Å; K38-A42 PolarHBondContact O-N 3.04Å; K39-A42 PolarHBondContact O-N 3.17Å; A40-A42 PolarHBondContact O-N 3.31Å; A42-K45 PolarHBondContact O-N 3.02Å; A42-K46 PolarHBondContact O-N 3.25Å
43V83.9Confident75.8Confident83 Ų83109.9 Ų109.950%0.50357%0.57SS.*Hα-helixtrans-64.8-45.5174.8173.60000110.6K39 A40 K45 K46 I47K39-V43 WeakPolarHBondContact O-CG2 2.93Å; K39-V43 PolarHBondContact O-N 3.17Å; A40-V43 PolarHBondContact O-N 3.4Å; V43-K45 VanDerWaalsContact C-N 3.34Å; V43-K45 PolarHBondContact O-N 3.45Å; V43-K46 PolarHBondContact O-N 2.75Å; V43-K46 VanDerWaalsContact O-N 3.13Å; V43-I47 HydrophobicContact CG1-CD1 3.69Å; V43-I47 HydrophobicContact CG1-CG1 4.34Å; V43-I47 WeakPolarHBondContact O-CG1 3.43Å; V43-I47 PolarHBondContact O-N 3.41Å
44K82.6Confident75.3Confident130 Ų130109.5 Ų109.557%0.56558%0.576SS**Hα-helixtrans-56.3-46.2174.1-175.9177.9179.1178.90111.6A40 K46 I47 I48A40-K44 WeakPolarHBondContact O-CB 3.14Å; A40-K44 PolarHBondContact O-N 3.25Å; K44-K46 PolarHBondContact O-N 3.23Å; K44-I47 PolarHBondContact O-N 3.13Å; K44-I48 HydrophobicContact CG-CD1 3.79Å; K44-I48 WeakPolarHBondContact O-CB 3.42Å; K44-I48 WeakPolarHBondContact O-CD1 3.3Å; K44-I48 VanDerWaalsContact O-CG1 3.22Å; K44-I48 WeakPolarHBondContact O-CG1 3.44Å; K44-I48 PolarHBondContact O-N 3.03Å
45K80.3Confident74.8Confident144 Ų144114.5 Ų114.563%0.62659%0.592SS**Hα-helixtrans-62.4-39.9175.9-76.7176.7-178.6-177.40112.3L41 A42 V43 K49L41-K45 WeakPolarHBondContact O-CB 3.46Å; L41-K45 VanDerWaalsContact O-CG 3.28Å; L41-K45 WeakPolarHBondContact O-CG 3.03Å; L41-K45 PolarHBondContact O-N 3.49Å; A42-K45 PolarHBondContact O-N 3.02Å; V43-K45 VanDerWaalsContact C-N 3.34Å; V43-K45 PolarHBondContact O-N 3.45Å; K45-K49 WeakPolarHBondContact O-CB 3.48Å; K45-K49 WeakPolarHBondContact O-CG 3.25Å; K45-K49 PolarHBondContact O-N 2.99Å
46K76.5Confident74.6Confident160 Ų160118.4 Ų118.470%0.69661%0.609SS**Hα-helixtrans-65.6-46.4176.5-80.2-175.4177.9-1760111.9A42 V43 K44 I48 K49 S50A42-K46 PolarHBondContact O-N 3.25Å; V43-K46 PolarHBondContact O-N 2.75Å; V43-K46 VanDerWaalsContact O-N 3.13Å; K44-K46 PolarHBondContact O-N 3.23Å; K46-I48 PolarHBondContact O-N 3.49Å; K46-K49 PolarHBondContact O-N 2.91Å; K46-S50 VanDerWaalsContact O-CB 3.23Å; K46-S50 WeakPolarHBondContact O-CB 3.29Å; K46-S50 PolarHBondContact O-N 3.11Å; K46-S50 PolarHBondContact O-OG 2.94Å
47I72.9Confident74.5Confident104 Ų104126.6 Ų126.653%0.53363%0.627SS.*Hα-helixtrans-61.7-44.6179.1-66166.3000111.2V43 K44 K49 S50 A51V43-I47 HydrophobicContact CG1-CD1 3.69Å; V43-I47 HydrophobicContact CG1-CG1 4.34Å; V43-I47 WeakPolarHBondContact O-CG1 3.43Å; V43-I47 PolarHBondContact O-N 3.41Å; K44-I47 PolarHBondContact O-N 3.13Å; I47-K49 VanDerWaalsContact C-N 3.34Å; I47-K49 PolarHBondContact O-N 3.46Å; I47-S50 PolarHBondContact O-N 2.67Å; I47-S50 PolarHBondContact O-OG 2.78Å; I47-A51 PolarHBondContact O-N 3.2Å
48I70.4Confident74.6Confident109 Ų109131.6 Ų131.656%0.55964%0.642SS**Hα-helixtrans-65.1-38.6178.6-66.2167.2000111.2K44 K46K44-I48 HydrophobicContact CG-CD1 3.79Å; K44-I48 WeakPolarHBondContact O-CB 3.42Å; K44-I48 WeakPolarHBondContact O-CD1 3.3Å; K44-I48 VanDerWaalsContact O-CG1 3.22Å; K44-I48 WeakPolarHBondContact O-CG1 3.44Å; K44-I48 PolarHBondContact O-N 3.03Å; K46-I48 PolarHBondContact O-N 3.49Å
49K66.5Low74.7Confident174 Ų174130.9 Ų130.976%0.75765%0.65SS**Hα-helixtrans-79.8-30.7179.3-72.1-171176.7-168.60113.4K45 K46 I47K45-K49 WeakPolarHBondContact O-CB 3.48Å; K45-K49 WeakPolarHBondContact O-CG 3.25Å; K45-K49 PolarHBondContact O-N 2.99Å; K46-K49 PolarHBondContact O-N 2.91Å; I47-K49 VanDerWaalsContact C-N 3.34Å; I47-K49 PolarHBondContact O-N 3.46Å
50S61.4Low74.8Confident86 Ų86132.1 Ų132.160%0.60165%0.65SS**Hα-helixtrans-77.8-24.2-177.664.10000113.3K46 I47 R52K46-S50 VanDerWaalsContact O-CB 3.23Å; K46-S50 WeakPolarHBondContact O-CB 3.29Å; K46-S50 PolarHBondContact O-N 3.11Å; K46-S50 PolarHBondContact O-OG 2.94Å; I47-S50 PolarHBondContact O-N 2.67Å; I47-S50 PolarHBondContact O-OG 2.78Å; S50-R52 VanDerWaalsContact C-N 3.31Å; S50-R52 PolarHBondContact O-N 3.17Å
51A59Low75.1Confident80 Ų80136.1 Ų136.166%0.66167%0.668SS**THydrogen-bonded Turntrans-77-12.6179.700000114.2I47 T53I47-A51 PolarHBondContact O-N 3.2Å; A51-T53 PolarHBondContact O-N 2.68Å
52R57.4Low75.3Confident212 Ų212135.1 Ų135.180%0.867%0.669SS**  trans-97.868.8170.2-81.8-177.2178.1166.1-0.3110.2S50 T54S50-R52 VanDerWaalsContact C-N 3.31Å; S50-R52 PolarHBondContact O-N 3.17Å; R52-T54 PolarHBondContact O-N 3.25Å
53T58.4Low75.7Confident92 Ų92140.3 Ų140.356%0.56470%0.695SS**  trans-63.895.1147.1450000106.1A51 F55A51-T53 PolarHBondContact O-N 2.68Å; T53-F55 WeakPolarHBondContact O-CD2 3.29Å; T53-F55 PolarHBondContact O-N 3.04Å; T53-F55 WeakPolarHBondContact OG1-CE2 3.41Å
54T62Low76.2Confident105 Ų105145.7 Ų145.764%0.64471%0.706SS**  trans-62.692.4174.150.70000107.3R52 K56R52-T54 PolarHBondContact O-N 3.25Å; T54-K56 PolarHBondContact O-N 2.84Å
55F64.8Low76.7Confident177 Ų177146.6 Ų146.678%0.77671%0.71SS**  trans-64.288.8168.7-67.4-76.5000106.9T53 R57T53-F55 WeakPolarHBondContact O-CD2 3.29Å; T53-F55 PolarHBondContact O-N 3.04Å; T53-F55 WeakPolarHBondContact OG1-CE2 3.41Å; F55-R57 VanDerWaalsContact C-N 3.35Å; F55-R57 PolarHBondContact O-N 2.85Å
56K76.9Confident77.3Confident191 Ų191148.7 Ų148.783%0.8371%0.714SS**  trans-64.599.2171.9-72.7-174.9179.7-179.20106.6T54T54-K56 PolarHBondContact O-N 2.84Å
57R80.1Confident78.1Confident231 Ų231150 Ų15087%0.87272%0.715SS**PPolyproline II helixtrans-61139.1174.8-65.3-179.1-178.8158.5-0.3108.3F55 V59F55-R57 VanDerWaalsContact C-N 3.35Å; F55-R57 PolarHBondContact O-N 2.85Å; R57-V59 PolarHBondContact O-N 3.43Å; R57-V59 VanDerWaalsContact O-N 3.15Å
58K84.5Confident79.1Confident188 Ų188149 Ų14982%0.81772%0.715SS**PPolyproline II helixtrans-61.3118.4172.8-68-175.9-179.6-178.10108.4R60K58-R60 PolarHBondContact O-N 2.89Å
59V86.5Confident80.2Confident130 Ų130156 Ų15679%0.78873%0.734SS**PPolyproline II helixtrans-63.1124.2176.8-179.20000108.5R57R57-V59 PolarHBondContact O-N 3.43Å; R57-V59 VanDerWaalsContact O-N 3.15Å
60R89.1Confident81.6Confident180 Ų180151.1 Ų151.168%0.67972%0.719SS**  trans-99.1115.6171-61.8-66.8-174.7146.12.4106.7K58 S62K58-R60 PolarHBondContact O-N 2.89Å; R60-S62 VanDerWaalsContact C-N 3.28Å
61T92Very high83.3Confident147 Ų147155.7 Ų155.790%0.90273%0.729SS**SBendtrans-81.5-8.8179.551.10000113.2
62S91Very high85Confident65 Ų65161.6 Ų161.646%0.45573%0.734SS.*  trans-122.7140.4178.5-175.40000110.5R60 R64R60-S62 VanDerWaalsContact C-N 3.28Å; S62-R64 VanDerWaalsContact C-N 3.28Å; S62-R64 PolarHBondContact O-N 2.73Å; S62-R64 PolarHBondContact OG-N 3.44Å
63V92.8Very high86.8Confident159 Ų159156 Ų15696%0.96473%0.725SS**SBendtrans-70.2-26175.8-174.40000111.6
64R95.1Very high88.7Confident195 Ų195160.8 Ų160.874%0.73674%0.738SS**SBendtrans-86.7122.7-177.5-172.7173.7-178.6171.32.4111.5S62 R66S62-R64 VanDerWaalsContact C-N 3.28Å; S62-R64 PolarHBondContact O-N 2.73Å; S62-R64 PolarHBondContact OG-N 3.44Å; R64-R66 PolarHBondContact O-N 3.1Å
65F93.1Very high90.3Very high149 Ų149167.4 Ų167.465%0.65475%0.751SS**  trans-67.3128168.8-175.3-98.6000110.7
66R92.7Very high91.7Very high188 Ų188166 Ų16671%0.70975%0.752SS**  trans-111.5132.5172.2-62.5-177.8-176.3-116.93.7108.5R64R64-R66 PolarHBondContact O-N 3.1Å
67R92.8Very high92.6Very high189 Ų189160.8 Ų160.871%0.71374%0.737SS**PPolyproline II helixtrans-53.3125.1172.5179.6179.5173.1-175.10.2108.6
68P94.2Very high93.4Very high82 Ų82159.7 Ų159.753%0.53274%0.739SS.*PPolyproline II helixtrans-61142.8177.825.8-33.6000109.5T70P68-T70 PolarHBondContact O-N 3.31Å; P68-T70 VanDerWaalsContact O-N 3.13Å
69R95Very high93.9Very high255 Ų255157.9 Ų157.996%0.96273%0.728SS**PPolyproline II helixtrans-62.4120.9169.4-65.9-173.4-179.1-170.71.6106.9
70T95.3Very high94.3Very high73 Ų73158.4 Ų158.445%0.44873%0.726SS.*  trans-105.8152.6179.438.20000108.2P68 R72P68-T70 PolarHBondContact O-N 3.31Å; P68-T70 VanDerWaalsContact O-N 3.13Å; T70-R72 PolarHBondContact O-N 3.43Å
71F95.8Very high94.6Very high182 Ų182158.8 Ų158.880%0.79873%0.727SS**  trans-59.1129.6173.9177.4-113.9000109.9P73F71-P73 HydrophobicContact CE1-CB 3.79Å; F71-P73 HydrophobicContact CE1-CG 4.48Å; F71-P73 HydrophobicContact CZ-CB 4.24Å
72R95.6Very high94.7Very high203 Ų203157.6 Ų157.677%0.76671%0.71SS**  trans-113.6103175-67.8-177.4179.2-179.1-1.3107.6T70T70-R72 PolarHBondContact O-N 3.43Å
73P95.8Very high94.9Very high96 Ų96160.6 Ų160.662%0.62373%0.731SS**PPolyproline II helixtrans-63.7150.1-177.825.1-33000111.3F71F71-P73 HydrophobicContact CE1-CB 3.79Å; F71-P73 HydrophobicContact CE1-CG 4.48Å; F71-P73 HydrophobicContact CZ-CB 4.24Å
74K97Very high95Very high192 Ų192155.9 Ų155.984%0.83571%0.709SS**PPolyproline II helixtrans-65.6153.3170.6-67.9-177.6-179.3177.60109.7N76K74-N76 PolarHBondContact O-N 3.1Å
75R96.1Very high95Very high243 Ų243152.6 Ų152.692%0.91771%0.712SS**PPolyproline II helixtrans-71.2117.1178.2-67.5-177.2175.3-175.2-1.7110P77R75-P77 WeakPolarHBondContact O-CD 3.46Å
76N94.2Very high95.1Very high149 Ų149154.7 Ų154.780%0.79772%0.716SS**  trans-115.687.7171.9-68.2-7.6000109K74K74-N76 PolarHBondContact O-N 3.1Å
77P95.9Very high95.1Very high80 Ų80156.3 Ų156.352%0.51972%0.722SS.*  trans-71139.4-178.431-34.6000110.9R75 Y79R75-P77 WeakPolarHBondContact O-CD 3.46Å; P77-Y79 PolarHBondContact O-N 2.96Å
78K96.5Very high95Very high209 Ų209154.4 Ų154.491%0.90973%0.726SS**SBendtrans-68.2-24.2177.5-173.2173.1180179.10113.2
79Y95.5Very high94.8Very high149 Ų149160.4 Ų160.458%0.58474%0.738SS**SBendtrans-142.9151.8179.857.1-90.9000110.5P77 R81P77-Y79 PolarHBondContact O-N 2.96Å; Y79-R81 VanDerWaalsContact CZ-NH1 3.33Å; Y79-R81 PolarHBondContact OH-NH1 2.92Å
80L94.5Very high94.8Very high142 Ų142151.3 Ų151.374%0.74371%0.708SS**  trans-67.5137.1174.2-61.6176.3000110K82L80-K82 VanDerWaalsContact C-N 3.27Å; L80-K82 WeakPolarHBondContact CB-O 3.37Å; L80-K82 PolarHBondContact O-N 3.4Å
81R95Very high94.6Very high187 Ų187151.2 Ų151.271%0.70671%0.705SS**SBendtrans-73.5-19.8-179.9-61.1-61.2-177.2177.9-4.5113.6Y79Y79-R81 VanDerWaalsContact CZ-NH1 3.33Å; Y79-R81 PolarHBondContact OH-NH1 2.92Å
82K95.9Very high94.6Very high122 Ų122147.1 Ų147.153%0.5369%0.685SS.*SBendtrans-137.4142.2176.8-66-179.6-179.9170.30107.2L80 A84L80-K82 VanDerWaalsContact C-N 3.27Å; L80-K82 WeakPolarHBondContact CB-O 3.37Å; L80-K82 PolarHBondContact O-N 3.4Å; K82-A84 VanDerWaalsContact C-N 3.34Å
83S95Very high94.4Very high129 Ų129144.7 Ų144.790%0.90268%0.68SS**SBendtrans-64-39.5179.150.10000112.2
84A94.6Very high94.3Very high60 Ų60142.5 Ų142.550%0.49667%0.667SS.*SBendtrans-135.2152-178.800000112.4K82K82-A84 VanDerWaalsContact C-N 3.34Å
85P94.4Very high94.3Very high125 Ų125133.3 Ų133.381%0.81263%0.627SS**PPolyproline II helixtrans-64.914917028.7-34000110.8
86R95Very high94.2Very high194 Ų194122 Ų12273%0.73259%0.585SS**PPolyproline II helixtrans-73.9133.2176-71.1-177.7172.1175.4-4109.4
87R93.3Very high94.2Very high221 Ų221119.9 Ų119.983%0.83457%0.568SS**PPolyproline II helixtrans-64.5146.3168.466.4178.2179.6141.6-2.7111.3R89R87-R89 PolarHBondContact O-N 2.98Å
88N90.9Very high94Very high150 Ų150119.3 Ų119.380%0.80256%0.558SS**PPolyproline II helixtrans-69.2116.2171.6-71-21.8000108.9L90N88-L90 VanDerWaalsContact C-N 3.33Å
89R90.6Very high93.9Very high208 Ų208109.8 Ų109.879%0.78552%0.518SS*.SBendtrans-82.4-10.9179.1-62.6-176.8-175.7168.5-3.2113.7R87 S94R87-R89 PolarHBondContact O-N 2.98Å; R89-S94 PolarHBondContact O-OG 2.98Å
90L93.2Very high93.8Very high63 Ų63103.3 Ų103.333%0.3349%0.494SS..  trans-105.373.2176.5-69.2174.6000108.4N88 H120 K122N88-L90 VanDerWaalsContact C-N 3.33Å; L90-H120 HydrophobicContact CD2-CB 4.41Å; L90-K122 HydrophobicContact CD1-CB 4.01Å
91D92.7Very high93.8Very high71 Ų7199.7 Ų99.738%0.3848%0.478SS..  trans-82.8173.9170.265.2-15.5000111F93 S94 V95D91-F93 VanDerWaalsContact C-N 3.27Å; D91-F93 PolarHBondContact O-N 3.12Å; D91-S94 PolarHBondContact O-N 2.87Å; D91-S94 VanDerWaalsContact O-N 3.12Å; D91-S94 WeakPolarHBondContact OD1-CB 3.29Å; D91-S94 PolarHBondContact OD1-N 2.8Å; D91-S94 PolarHBondContact OD1-OG 2.79Å; D91-V95 VanDerWaalsContact O-CG2 3.24Å; D91-V95 WeakPolarHBondContact O-CG2 3.14Å; D91-V95 PolarHBondContact O-N 3.15Å
92Y94.2Very high93.7Very high96 Ų9693.5 Ų93.538%0.37646%0.461SS..Hα-helixtrans-61-36.9-175.3-59.5-55.3000112.6V95 I96 L127 A130 A131 K134Y92-V95 PolarHBondContact O-N 2.88Å; Y92-I96 PolarHBondContact O-N 2.89Å; Y92-L127 HydrophobicContact CE1-CD1 4.49Å; Y92-A130 HydrophobicContact CE1-CB 4.17Å; Y92-A131 HydrophobicContact CD1-CB 3.74Å; Y92-A131 HydrophobicContact CG-CB 4.38Å; Y92-K134 HydrophobicContact CD2-CB 4.11Å; Y92-K134 HydrophobicContact CD2-CG 4.27Å; Y92-K134 HydrophobicContact CE2-CB 4.28Å; Y92-K134 HydrophobicContact CE2-CG 3.91Å; Y92-K134 HydrophobicContact CG-CB 4.36Å
93F93Very high93.7Very high153 Ų15396.1 Ų96.167%0.67148%0.475SS*.Hα-helixtrans-68.1-36174.7-59.7-76.7000112.9D91 V95 L135D91-F93 VanDerWaalsContact C-N 3.27Å; D91-F93 PolarHBondContact O-N 3.12Å; F93-V95 VanDerWaalsContact C-N 3.33Å; F93-L135 HydrophobicContact CD1-CD1 4.34Å; F93-L135 HydrophobicContact CD1-CD2 3.71Å; F93-L135 HydrophobicContact CE1-CD2 3.36Å; F93-L135 HydrophobicContact CE2-CD2 4.23Å; F93-L135 HydrophobicContact CG-CD2 4.29Å; F93-L135 HydrophobicContact CZ-CD2 3.64Å
94S93.9Very high93.7Very high49 Ų4993.3 Ų93.334%0.34346%0.455SS..Hα-helixtrans-74.1-26173.6-61.40000112.7R89 D91 H120R89-S94 PolarHBondContact O-OG 2.98Å; D91-S94 PolarHBondContact O-N 2.87Å; D91-S94 VanDerWaalsContact O-N 3.12Å; D91-S94 WeakPolarHBondContact OD1-CB 3.29Å; D91-S94 PolarHBondContact OD1-N 2.8Å; D91-S94 PolarHBondContact OD1-OG 2.79Å; S94-H120 WeakPolarHBondContact O-CB 2.92Å
95V96.4Very high93.7Very high0 Ų090.6 Ų90.60%043%0.432CS..Hα-helixtrans-69.6-53.7179.5168.30000110.4D91 Y92 F93 V119 H120 A123 L127 I128 A131D91-V95 VanDerWaalsContact O-CG2 3.24Å; D91-V95 WeakPolarHBondContact O-CG2 3.14Å; D91-V95 PolarHBondContact O-N 3.15Å; Y92-V95 PolarHBondContact O-N 2.88Å; F93-V95 VanDerWaalsContact C-N 3.33Å; V95-V119 HydrophobicContact CG1-CG1 4.12Å; V95-V119 CarbonylContact O-C 3.59Å; V95-V119 VanDerWaalsContact O-CA 3.23Å; V95-V119 WeakPolarHBondContact O-CA 3.02Å; V95-V119 WeakPolarHBondContact O-CG1 3.42Å; V95-H120 PolarHBondContact O-N 3.41Å; V95-A123 HydrophobicContact CG1-CB 3.89Å; V95-A123 HydrophobicContact CG2-CB 4.49Å; V95-L127 HydrophobicContact CG1-CG 4.35Å; V95-L127 HydrophobicContact CG2-CD1 4.35Å; V95-L127 HydrophobicContact CG2-CD2 3.6Å; V95-L127 HydrophobicContact CG2-CG 3.78Å; V95-I128 HydrophobicContact CG1-CG1 4.17Å; V95-A131 HydrophobicContact CB-CB 4.14Å; V95-A131 HydrophobicContact CG1-CB 3.83Å
96I94.6Very high93.8Very high6 Ų687.6 Ų87.63%0.03141%0.408CS..EExtended strand (participates in β ladder)trans-96.1114179.3-60.6176.5000108.5Y92 F117 A131 V132 L135 Y136Y92-I96 PolarHBondContact O-N 2.89Å; I96-F117 HydrophobicContact CG2-CB 4.37Å; I96-F117 HydrophobicContact CG2-CD1 3.58Å; I96-F117 HydrophobicContact CG2-CE1 4.1Å; I96-F117 HydrophobicContact CG2-CG 4.11Å; I96-A131 HydrophobicContact CD1-CB 3.71Å; I96-A131 HydrophobicContact CG1-CB 3.93Å; I96-V132 HydrophobicContact CD1-CB 4.17Å; I96-V132 HydrophobicContact CD1-CG2 3.45Å; I96-V132 VanDerWaalsContact CD1-CG2 3.45Å; I96-L135 HydrophobicContact CB-CD1 4.3Å; I96-L135 HydrophobicContact CD1-CD1 4.19Å; I96-Y136 HydrophobicContact CD1-CE2 4.31Å; I96-Y136 HydrophobicContact CG2-CE2 4.35Å
97K93.4Very high93.8Very high103 Ų10384.5 Ų84.545%0.44840%0.4SS..EExtended strand (participates in β ladder)trans-82.3-58.3-178.5-62-175.3174.5-1720111.9L118K97-L118 WeakPolarHBondContact CB-O 3.33Å; K97-L118 PolarHBondContact N-O 3.36Å
98H92.3Very high94Very high68 Ų6877.9 Ų77.932%0.31538%0.377SS..EExtended strand (participates in β ladder)trans-164.4156.3178.848.8-91.6000109.7L118H98-L118 WeakPolarHBondContact NE2-CD1 3.34Å; H98-L118 PolarHBondContact O-N 3.03Å
99P94.3Very high94.2Very high9 Ų971.1 Ų71.16%0.05834%0.341CS..EExtended strand (participates in β ladder)trans-63.9152.516930.4-37000110.9V116 F117 V172 A176 Y177P99-V116 CarbonylContact C-O 3.59Å; P99-V116 WeakPolarHBondContact CA-O 3.27Å; P99-F117 HydrophobicContact CB-CD1 4.3Å; P99-F117 HydrophobicContact CB-CE1 4.28Å; P99-V172 HydrophobicContact CB-CG1 4.15Å; P99-V172 HydrophobicContact CG-CG1 4.08Å; P99-A176 VanDerWaalsContact CD-CB 3.46Å; P99-A176 HydrophobicContact CG-CB 3.72Å; P99-Y177 HydrophobicContact CG-CE2 4.21Å
100L93.7Very high94.3Very high14 Ų1467.2 Ų67.27%0.07333%0.332CS..  trans-95.8120.7173.5-169.671.5000109.3T102 S105 V116 L118 K154L100-T102 HydrophobicContact CD1-CG2 4.02Å; L100-T102 HydrophobicContact CD2-CG2 4.32Å; L100-T102 HydrophobicContact CG-CG2 3.98Å; L100-S105 WeakPolarHBondContact O-CB 3.24Å; L100-S105 PolarHBondContact O-OG 2.77Å; L100-V116 HydrophobicContact CB-CB 4.11Å; L100-V116 HydrophobicContact CB-CG1 3.91Å; L100-V116 HydrophobicContact CD2-CG1 3.85Å; L100-V116 PolarHBondContact N-O 3.49Å; L100-L118 HydrophobicContact CD1-CD1 3.99Å; L100-L118 HydrophobicContact CD1-CG 4.25Å; L100-K154 HydrophobicContact CD2-CD 3.86Å; L100-K154 VanDerWaalsContact CD2-CE 3.47Å; L100-K154 HydrophobicContact CD2-CG 4.33Å
101T93.1Very high94.4Very high66 Ų6669 Ų6941%0.40534%0.342SS..  trans-10521.6-17451.50000113.5I173 Y177T101-I173 HydrophobicContact CG2-CD1 4.49Å; T101-I173 HydrophobicContact CG2-CG1 4.34Å; T101-Y177 HydrophobicContact CG2-CE2 3.8Å
102T94.2Very high94.4Very high57 Ų5769 Ų6935%0.3534%0.341SS..SBendtrans-70.7155.2177.258.50000111.6L100 S104 S105 M106L100-T102 HydrophobicContact CD1-CG2 4.02Å; L100-T102 HydrophobicContact CD2-CG2 4.32Å; L100-T102 HydrophobicContact CG-CG2 3.98Å; T102-S104 VanDerWaalsContact C-N 3.3Å; T102-S104 PolarHBondContact O-N 2.89Å; T102-S104 PolarHBondContact OG1-OG 2.66Å; T102-S105 CarbonylContact O-C 3.57Å; T102-S105 VanDerWaalsContact O-CA 3.29Å; T102-S105 WeakPolarHBondContact O-CA 3.37Å; T102-S105 WeakPolarHBondContact O-CB 3.49Å; T102-S105 PolarHBondContact O-N 2.78Å; T102-S105 WeakPolarHBondContact OG1-CB 3.32Å; T102-S105 PolarHBondContact OG1-N 3.44Å; T102-M106 PolarHBondContact O-N 2.9Å
103E94.8Very high94.4Very high176 Ų17665.8 Ų65.882%0.82233%0.331SS*.Hα-helixtrans-50.2-46.6176.2-63.5172.2-169.600113.2S105 M106 K107E103-S105 PolarHBondContact O-N 3.28Å; E103-S105 VanDerWaalsContact O-N 3.15Å; E103-M106 PolarHBondContact O-N 3.12Å; E103-M106 VanDerWaalsContact O-N 3.17Å; E103-K107 PolarHBondContact O-N 3.3Å
104S95.4Very high94.6Very high71 Ų7159.1 Ų59.150%0.49730%0.303SS..Hα-helixtrans-61.6-24176.1680000114.3T102 K108T102-S104 VanDerWaalsContact C-N 3.3Å; T102-S104 PolarHBondContact O-N 2.89Å; T102-S104 PolarHBondContact OG1-OG 2.66Å; S104-K108 VanDerWaalsContact O-CG 3.24Å; S104-K108 WeakPolarHBondContact O-CG 3.33Å
105S95.2Very high94.6Very high2 Ų257 Ų571%0.01429%0.288CS..Hα-helixtrans-83.5-42.9176.1-172.50000110.8L100 T102 E103 K107 K108 I109 V116L100-S105 WeakPolarHBondContact O-CB 3.24Å; L100-S105 PolarHBondContact O-OG 2.77Å; T102-S105 CarbonylContact O-C 3.57Å; T102-S105 VanDerWaalsContact O-CA 3.29Å; T102-S105 WeakPolarHBondContact O-CA 3.37Å; T102-S105 WeakPolarHBondContact O-CB 3.49Å; T102-S105 PolarHBondContact O-N 2.78Å; T102-S105 WeakPolarHBondContact OG1-CB 3.32Å; T102-S105 PolarHBondContact OG1-N 3.44Å; E103-S105 PolarHBondContact O-N 3.28Å; E103-S105 VanDerWaalsContact O-N 3.15Å; S105-K107 VanDerWaalsContact C-N 3.3Å; S105-K107 PolarHBondContact O-N 2.84Å; S105-K108 WeakPolarHBondContact O-CA 3.43Å; S105-K108 WeakPolarHBondContact O-CB 3.38Å; S105-K108 PolarHBondContact O-N 2.94Å; S105-I109 WeakPolarHBondContact O-CG1 3.47Å; S105-I109 PolarHBondContact O-N 2.94Å; S105-I109 VanDerWaalsContact O-N 3.1Å; S105-V116 WeakPolarHBondContact OG-CB 3.4Å; S105-V116 WeakPolarHBondContact OG-CG2 3.44Å
106M95.2Very high94.6Very high62 Ų6257.2 Ų57.231%0.30529%0.289SS..Hα-helixtrans-57.1-45.9174.6-64.7-54.4-62.400111.1T102 E103 K108 I109 E110T102-M106 PolarHBondContact O-N 2.9Å; E103-M106 PolarHBondContact O-N 3.12Å; E103-M106 VanDerWaalsContact O-N 3.17Å; M106-K108 PolarHBondContact O-N 3.32Å; M106-I109 WeakPolarHBondContact O-CB 3.35Å; M106-I109 PolarHBondContact O-N 3.22Å; M106-I109 HydrophobicContact SD-CD1 4.07Å; M106-E110 PolarHBondContact O-N 2.83Å
107K96Very high94.7Very high130 Ų13057 Ų5757%0.56529%0.288SS*.Hα-helixtrans-57.4-33.6173.4-174.3168.1-175.9170.60113.5E103 S105 D111E103-K107 PolarHBondContact O-N 3.3Å; S105-K107 VanDerWaalsContact C-N 3.3Å; S105-K107 PolarHBondContact O-N 2.84Å; K107-D111 WeakPolarHBondContact CE-OD2 3.31Å; K107-D111 WeakPolarHBondContact CG-OD2 3.34Å; K107-D111 WeakPolarHBondContact O-CB 3.34Å; K107-D111 PolarHBondContact O-N 2.57Å
108K96.2Very high94.8Very high82 Ų8252.3 Ų52.336%0.35727%0.267SS..Hα-helixtrans-74.7-26.4178.7-77.6-72.4166.1-157.50113.1S104 S105 M106 N112 T114 V116 Y156S104-K108 VanDerWaalsContact O-CG 3.24Å; S104-K108 WeakPolarHBondContact O-CG 3.33Å; S105-K108 WeakPolarHBondContact O-CA 3.43Å; S105-K108 WeakPolarHBondContact O-CB 3.38Å; S105-K108 PolarHBondContact O-N 2.94Å; M106-K108 PolarHBondContact O-N 3.32Å; K108-N112 HydrophobicContact CD-CB 4.45Å; K108-N112 WeakPolarHBondContact CD-OD1 3.2Å; K108-N112 PolarHBondContact NZ-OD1 3Å; K108-N112 PolarHBondContact O-N 2.87Å; K108-T114 CarbonylContact C-O 3.54Å; K108-T114 WeakPolarHBondContact CB-OG1 3.35Å; K108-T114 PolarHBondContact O-N 2.84Å; K108-T114 VanDerWaalsContact O-N 3.1Å; K108-T114 PolarHBondContact O-OG1 3.13Å; K108-V116 HydrophobicContact CB-CG2 4.35Å; K108-Y156 HydrophobicContact CG-CE1 4.48Å
109I95.2Very high95Very high7 Ų749.1 Ų49.14%0.03625%0.253CS..Hα-helixtrans-69.1-48.2173.2-64.9170000108.6S105 M106 N113 T114 L115 A165 L166 A169S105-I109 WeakPolarHBondContact O-CG1 3.47Å; S105-I109 PolarHBondContact O-N 2.94Å; S105-I109 VanDerWaalsContact O-N 3.1Å; M106-I109 WeakPolarHBondContact O-CB 3.35Å; M106-I109 PolarHBondContact O-N 3.22Å; M106-I109 HydrophobicContact SD-CD1 4.07Å; I109-N113 PolarHBondContact O-N 3.32Å; I109-T114 WeakPolarHBondContact CA-O 3.37Å; I109-T114 WeakPolarHBondContact CG1-O 3.43Å; I109-T114 PolarHBondContact N-O 3.45Å; I109-L115 HydrophobicContact CD1-CD2 4.35Å; I109-L115 HydrophobicContact CG1-CD2 4.2Å; I109-A165 HydrophobicContact CG2-CB 3.89Å; I109-L166 HydrophobicContact CG2-CB 4.45Å; I109-L166 HydrophobicContact CG2-CD1 4.34Å; I109-A169 HydrophobicContact CD1-CB 3.95Å; I109-A169 HydrophobicContact CG2-CB 4.04Å
110E93Very high95.2Very high127 Ų12751.5 Ų51.559%0.59326%0.263SS*.Hα-helixtrans-69.3-54.7-178.2-65.1166-160.900113M106M106-E110 PolarHBondContact O-N 2.83Å
111D94.8Very high95.3Very high101 Ų10154.8 Ų54.854%0.5428%0.28SS..Hα-helixtrans-80.3-30.8-168.7-68.9-21.8000113.7K107K107-D111 WeakPolarHBondContact CE-OD2 3.31Å; K107-D111 WeakPolarHBondContact CG-OD2 3.34Å; K107-D111 WeakPolarHBondContact O-CB 3.34Å; K107-D111 PolarHBondContact O-N 2.57Å
112N94.2Very high95.5Very high69 Ų6959.1 Ų59.137%0.36929%0.294SS..Hα-helixtrans-124.93.3-163.9-67.5125.6000114.2K108 T114 H158K108-N112 HydrophobicContact CD-CB 4.45Å; K108-N112 WeakPolarHBondContact CD-OD1 3.2Å; K108-N112 PolarHBondContact NZ-OD1 3Å; K108-N112 PolarHBondContact O-N 2.87Å; N112-T114 HydrophobicContact CB-CG2 4.1Å; N112-T114 WeakPolarHBondContact O-CG2 3.19Å; N112-T114 PolarHBondContact O-N 2.92Å; N112-H158 PolarHBondContact O-CE1 3.01Å; N112-H158 PolarHBondContact O-ND1 3.39Å
113N94.5Very high95.6Very high29 Ų2956.5 Ų56.516%0.15528%0.277CS..  trans50.547.4-173.3-162.223.1000111.5I109 H158 L159 A160 V163 A165I109-N113 PolarHBondContact O-N 3.32Å; N113-H158 PolarHBondContact O-ND1 2.84Å; N113-L159 PolarHBondContact O-N 3.48Å; N113-A160 PolarHBondContact ND2-O 2.95Å; N113-V163 PolarHBondContact ND2-O 2.92Å; N113-V163 PolarHBondContact OD1-O 3.49Å; N113-A165 WeakPolarHBondContact OD1-CA 3.28Å; N113-A165 WeakPolarHBondContact OD1-CB 3.21Å; N113-A165 PolarHBondContact OD1-N 3.49Å
114T96.1Very high95.7Very high13 Ų1353.3 Ų53.38%0.0827%0.266CS..EExtended strand (participates in β ladder)trans-124.1125.4-177.153.30000112.4K108 I109 N112 V157 H158K108-T114 CarbonylContact C-O 3.54Å; K108-T114 WeakPolarHBondContact CB-OG1 3.35Å; K108-T114 PolarHBondContact O-N 2.84Å; K108-T114 VanDerWaalsContact O-N 3.1Å; K108-T114 PolarHBondContact O-OG1 3.13Å; I109-T114 WeakPolarHBondContact CA-O 3.37Å; I109-T114 WeakPolarHBondContact CG1-O 3.43Å; I109-T114 PolarHBondContact N-O 3.45Å; N112-T114 HydrophobicContact CB-CG2 4.1Å; N112-T114 WeakPolarHBondContact O-CG2 3.19Å; N112-T114 PolarHBondContact O-N 2.92Å; T114-V157 CarbonylContact C-O 3.46Å; T114-V157 VanDerWaalsContact CA-O 3.27Å; T114-V157 WeakPolarHBondContact CA-O 3.25Å; T114-H158 HydrophobicContact CG2-CB 3.85Å
115L95Very high95.8Very high6 Ų654.8 Ų54.83%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-88.5140.4168.9-65177.1000110.3I109 F117 I138 V157 L159 A165 I168 A169I109-L115 HydrophobicContact CD1-CD2 4.35Å; I109-L115 HydrophobicContact CG1-CD2 4.2Å; L115-F117 HydrophobicContact CB-CD2 4.37Å; L115-F117 HydrophobicContact CB-CE2 3.63Å; L115-F117 HydrophobicContact CB-CZ 4.09Å; L115-F117 HydrophobicContact CD1-CE2 4.2Å; L115-F117 HydrophobicContact CD1-CZ 4.05Å; L115-I138 HydrophobicContact CD1-CD1 3.72Å; L115-V157 PolarHBondContact N-O 3.22Å; L115-V157 PolarHBondContact O-N 2.79Å; L115-L159 HydrophobicContact CD1-CD1 4.04Å; L115-L159 HydrophobicContact CD1-CD2 4.25Å; L115-L159 HydrophobicContact CG-CD1 4.1Å; L115-L159 HydrophobicContact CG-CD2 4.43Å; L115-L159 HydrophobicContact CG-CG 4.45Å; L115-A165 HydrophobicContact CD2-CB 4.22Å; L115-A165 HydrophobicContact CG-CB 4.44Å; L115-I168 HydrophobicContact CD1-CB 4.45Å; L115-I168 HydrophobicContact CD1-CG2 3.67Å; L115-A169 HydrophobicContact CD2-CB 3.96Å
116V96Very high95.8Very high4 Ų459.4 Ų59.42%0.02429%0.294CS..EExtended strand (participates in β ladder)trans-113.7126.5178.7-168.30000109.6P99 L100 S105 K108 K154 A155 Y156P99-V116 CarbonylContact C-O 3.59Å; P99-V116 WeakPolarHBondContact CA-O 3.27Å; L100-V116 HydrophobicContact CB-CB 4.11Å; L100-V116 HydrophobicContact CB-CG1 3.91Å; L100-V116 HydrophobicContact CD2-CG1 3.85Å; L100-V116 PolarHBondContact N-O 3.49Å; S105-V116 WeakPolarHBondContact OG-CB 3.4Å; S105-V116 WeakPolarHBondContact OG-CG2 3.44Å; K108-V116 HydrophobicContact CB-CG2 4.35Å; V116-K154 HydrophobicContact CG1-CD 3.76Å; V116-K154 HydrophobicContact CG1-CG 3.55Å; V116-A155 CarbonylContact C-O 3.46Å; V116-A155 VanDerWaalsContact CA-O 3.31Å; V116-A155 WeakPolarHBondContact CA-O 3.21Å; V116-Y156 HydrophobicContact CB-CD1 4.44Å; V116-Y156 HydrophobicContact CG1-CD1 4.13Å; V116-Y156 HydrophobicContact CG1-CE1 4.03Å; V116-Y156 HydrophobicContact CG2-CD1 3.56Å; V116-Y156 HydrophobicContact CG2-CE1 3.75Å
117F95.8Very high95.9Very high1 Ų159.1 Ų59.10%0.00429%0.293CS..EExtended strand (participates in β ladder)trans-119.8148.7178.5-64.5-80.7000111.3I96 P99 L115 V119 V132 Y136 K154 A155 V157 V172I96-F117 HydrophobicContact CG2-CB 4.37Å; I96-F117 HydrophobicContact CG2-CD1 3.58Å; I96-F117 HydrophobicContact CG2-CE1 4.1Å; I96-F117 HydrophobicContact CG2-CG 4.11Å; P99-F117 HydrophobicContact CB-CD1 4.3Å; P99-F117 HydrophobicContact CB-CE1 4.28Å; L115-F117 HydrophobicContact CB-CD2 4.37Å; L115-F117 HydrophobicContact CB-CE2 3.63Å; L115-F117 HydrophobicContact CB-CZ 4.09Å; L115-F117 HydrophobicContact CD1-CE2 4.2Å; L115-F117 HydrophobicContact CD1-CZ 4.05Å; F117-V119 HydrophobicContact CB-CG2 3.91Å; F117-V132 HydrophobicContact CD2-CG2 4.38Å; F117-V132 HydrophobicContact CE2-CG2 4.09Å; F117-Y136 HydrophobicContact CE1-CD2 4.48Å; F117-Y136 AromaticContact CE1-CE2 3.75Å; F117-Y136 HydrophobicContact CE1-CE2 3.75Å; F117-Y136 HydrophobicContact CZ-CD2 4.23Å; F117-Y136 AromaticContact CZ-CE2 3.95Å; F117-Y136 HydrophobicContact CZ-CE2 3.95Å; F117-K154 WeakPolarHBondContact O-CA 3.47Å; F117-A155 PolarHBondContact N-O 2.96Å; F117-A155 PolarHBondContact O-N 3.48Å; F117-V157 HydrophobicContact CD2-CB 4.45Å; F117-V157 HydrophobicContact CD2-CG2 3.76Å; F117-V157 HydrophobicContact CE2-CB 4.4Å; F117-V157 HydrophobicContact CE2-CG2 4.12Å; F117-V172 HydrophobicContact CE1-CG1 3.98Å; F117-V172 HydrophobicContact CZ-CG1 4.45Å
118L95.8Very high96Very high4 Ų452.9 Ų52.92%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-86.4131.1156.6-76.2172000109.6K97 H98 L100 Q152K97-L118 WeakPolarHBondContact CB-O 3.33Å; K97-L118 PolarHBondContact N-O 3.36Å; H98-L118 WeakPolarHBondContact NE2-CD1 3.34Å; H98-L118 PolarHBondContact O-N 3.03Å; L100-L118 HydrophobicContact CD1-CD1 3.99Å; L100-L118 HydrophobicContact CD1-CG 4.25Å; L118-Q152 HydrophobicContact CD2-CB 4.06Å
119V97.4Very high96Very high1 Ų153.3 Ų53.31%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-130.7156-167179.50000109.8V95 F117 A123 I128 K153 A155V95-V119 HydrophobicContact CG1-CG1 4.12Å; V95-V119 CarbonylContact O-C 3.59Å; V95-V119 VanDerWaalsContact O-CA 3.23Å; V95-V119 WeakPolarHBondContact O-CA 3.02Å; V95-V119 WeakPolarHBondContact O-CG1 3.42Å; F117-V119 HydrophobicContact CB-CG2 3.91Å; V119-A123 HydrophobicContact CG1-CB 3.48Å; V119-A123 VanDerWaalsContact CG1-CB 3.48Å; V119-I128 HydrophobicContact CG1-CD1 3.76Å; V119-I128 HydrophobicContact CG1-CG1 3.69Å; V119-I128 HydrophobicContact CG2-CD1 4.46Å; V119-K153 HydrophobicContact CB-CB 4.5Å; V119-K153 PolarHBondContact N-O 2.97Å; V119-A155 HydrophobicContact CG2-CB 3.59Å
120H97.2Very high96Very high59 Ų5954.7 Ų54.727%0.27328%0.28SS..  trans-59.4137.8170.6-164.3-82.2000113L90 S94 V95 K122 A123L90-H120 HydrophobicContact CD2-CB 4.41Å; S94-H120 WeakPolarHBondContact O-CB 2.92Å; V95-H120 PolarHBondContact O-N 3.41Å; H120-K122 PolarHBondContact ND1-N 3.14Å; H120-K122 VanDerWaalsContact ND1-N 3.13Å; H120-K122 PolarHBondContact O-N 2.72Å; H120-K122 VanDerWaalsContact O-N 3.14Å; H120-A123 VanDerWaalsContact O-CB 3.32Å; H120-A123 WeakPolarHBondContact O-CB 3.39Å; H120-A123 PolarHBondContact O-N 2.79Å
121L96.6Very high96.2Very high84 Ų8448.7 Ų48.744%0.4425%0.252SS..THydrogen-bonded Turntrans-55.5-35.3-178-75.1176.4000114.2A123 I147 G151 K153L121-A123 VanDerWaalsContact C-N 3.34Å; L121-I147 HydrophobicContact CD2-CG2 4.45Å; L121-G151 WeakPolarHBondContact CD1-O 3.24Å; L121-G151 VanDerWaalsContact CD2-O 3.3Å; L121-G151 WeakPolarHBondContact CD2-O 3.38Å; L121-K153 HydrophobicContact CD2-CB 4.21Å; L121-K153 WeakPolarHBondContact O-CE 3.33Å; L121-K153 PolarHBondContact O-NZ 3.35Å
122K96Very high96.2Very high157 Ų15743.9 Ų43.968%0.68323%0.226SC*.THydrogen-bonded Turntrans-83.1-3.8179.3-63-176.3177.6177.80114.5L90 H120L90-K122 HydrophobicContact CD1-CB 4.01Å; H120-K122 PolarHBondContact ND1-N 3.14Å; H120-K122 VanDerWaalsContact ND1-N 3.13Å; H120-K122 PolarHBondContact O-N 2.72Å; H120-K122 VanDerWaalsContact O-N 3.14Å
123A97.3Very high96.2Very high1 Ų145.6 Ų45.61%0.00823%0.231CC..  trans-74.8133.5-178.300000111.5V95 V119 H120 L121 L127 I128 K153V95-A123 HydrophobicContact CG1-CB 3.89Å; V95-A123 HydrophobicContact CG2-CB 4.49Å; V119-A123 HydrophobicContact CG1-CB 3.48Å; V119-A123 VanDerWaalsContact CG1-CB 3.48Å; H120-A123 VanDerWaalsContact O-CB 3.32Å; H120-A123 WeakPolarHBondContact O-CB 3.39Å; H120-A123 PolarHBondContact O-N 2.79Å; L121-A123 VanDerWaalsContact C-N 3.34Å; A123-L127 HydrophobicContact CB-CD2 4.32Å; A123-I128 HydrophobicContact CB-CD1 4.32Å; A123-I128 HydrophobicContact CB-CG1 3.95Å; A123-K153 PolarHBondContact O-NZ 2.8Å
124N96.3Very high96.2Very high110 Ų11050.8 Ų50.859%0.58825%0.252SS*.  trans-92.7159175.8-65.2-20.3000110.6L127 I128N124-L127 WeakPolarHBondContact O-CB 3.14Å; N124-L127 PolarHBondContact O-N 2.64Å; N124-I128 WeakPolarHBondContact O-CG1 3.4Å; N124-I128 PolarHBondContact O-N 3.41Å
125K97.7Very high96Very high101 Ų10152.4 Ų52.444%0.43926%0.26SS..Hα-helixtrans-52.8-45.3179.7-64.9176.1173.2-167.80114L127 I128 K129 V143 T145K125-L127 VanDerWaalsContact C-N 3.3Å; K125-L127 PolarHBondContact O-N 3.28Å; K125-I128 PolarHBondContact O-N 3.09Å; K125-K129 PolarHBondContact O-N 3Å; K125-V143 HydrophobicContact CB-CB 4.4Å; K125-V143 VanDerWaalsContact CD-O 3.24Å; K125-V143 WeakPolarHBondContact CD-O 3.23Å; K125-V143 WeakPolarHBondContact CE-O 3.35Å; K125-V143 HydrophobicContact CG-CG1 4.49Å; K125-T145 HydrophobicContact CG-CG2 4.11Å
126P96.6Very high95.8Very high100 Ų10055 Ų5565%0.64927%0.27SS*.Hα-helixtrans-65-33.9177.1-21.934.7000113.1K129 A130P126-K129 PolarHBondContact O-N 3.12Å; P126-A130 WeakPolarHBondContact O-CB 3.4Å; P126-A130 PolarHBondContact O-N 3.31Å
127L96Very high95.6Very high55 Ų5561.7 Ų61.729%0.28831%0.305SS..Hα-helixtrans-68.9-40178.2-177.762.6000111.3Y92 V95 A123 N124 K125 A130 A131Y92-L127 HydrophobicContact CE1-CD1 4.49Å; V95-L127 HydrophobicContact CG1-CG 4.35Å; V95-L127 HydrophobicContact CG2-CD1 4.35Å; V95-L127 HydrophobicContact CG2-CD2 3.6Å; V95-L127 HydrophobicContact CG2-CG 3.78Å; A123-L127 HydrophobicContact CB-CD2 4.32Å; N124-L127 WeakPolarHBondContact O-CB 3.14Å; N124-L127 PolarHBondContact O-N 2.64Å; K125-L127 VanDerWaalsContact C-N 3.3Å; K125-L127 PolarHBondContact O-N 3.28Å; L127-A130 PolarHBondContact O-N 2.86Å; L127-A131 WeakPolarHBondContact O-CB 3.46Å; L127-A131 PolarHBondContact O-N 3.13Å
128I97.4Very high95.4Very high0 Ų061.8 Ų61.80%031%0.306CS..Hα-helixtrans-63.8-47.8175.2-61.4164.5000109.9V95 V119 A123 N124 K125 A130 A131 V132 V143 T145 A155 V157V95-I128 HydrophobicContact CG1-CG1 4.17Å; V119-I128 HydrophobicContact CG1-CD1 3.76Å; V119-I128 HydrophobicContact CG1-CG1 3.69Å; V119-I128 HydrophobicContact CG2-CD1 4.46Å; A123-I128 HydrophobicContact CB-CD1 4.32Å; A123-I128 HydrophobicContact CB-CG1 3.95Å; N124-I128 WeakPolarHBondContact O-CG1 3.4Å; N124-I128 PolarHBondContact O-N 3.41Å; K125-I128 PolarHBondContact O-N 3.09Å; I128-A130 VanDerWaalsContact C-N 3.3Å; I128-A130 PolarHBondContact O-N 3.34Å; I128-A131 PolarHBondContact O-N 3.42Å; I128-A131 VanDerWaalsContact O-N 3.12Å; I128-V132 HydrophobicContact CG2-CG2 4.25Å; I128-V132 WeakPolarHBondContact O-CG2 3.13Å; I128-V132 PolarHBondContact O-N 3.15Å; I128-V143 HydrophobicContact CB-CG1 4.19Å; I128-V143 HydrophobicContact CD1-CG1 4.26Å; I128-V143 HydrophobicContact CG2-CG1 3.93Å; I128-T145 HydrophobicContact CD1-CG2 3.58Å; I128-A155 HydrophobicContact CD1-CB 4.16Å; I128-A155 HydrophobicContact CG2-CB 4.24Å; I128-V157 HydrophobicContact CG2-CG2 4.31Å
129K96.6Very high95.3Very high90 Ų9065.3 Ų65.339%0.39133%0.325SS..Hα-helixtrans-55.8-44.9176178.4161.6173.2158.80111.7K125 P126 K133 A140 D141 V143K125-K129 PolarHBondContact O-N 3Å; P126-K129 PolarHBondContact O-N 3.12Å; K129-K133 WeakPolarHBondContact O-CB 3.3Å; K129-K133 PolarHBondContact O-N 3.44Å; K129-K133 VanDerWaalsContact O-N 3.11Å; K129-A140 WeakPolarHBondContact CD-O 3.3Å; K129-A140 WeakPolarHBondContact CE-O 3.49Å; K129-A140 HydrophobicContact CG-CB 4.29Å; K129-A140 PolarHBondContact NZ-O 3.37Å; K129-D141 PolarHBondContact NZ-O 3.43Å; K129-V143 HydrophobicContact CB-CG2 4.05Å
130A96.3Very high95.1Very high37 Ų3765.4 Ų65.431%0.30633%0.326SS..Hα-helixtrans-65.9-39.4176.200000113.1Y92 P126 L127 I128 K134Y92-A130 HydrophobicContact CE1-CB 4.17Å; P126-A130 WeakPolarHBondContact O-CB 3.4Å; P126-A130 PolarHBondContact O-N 3.31Å; L127-A130 PolarHBondContact O-N 2.86Å; I128-A130 VanDerWaalsContact C-N 3.3Å; I128-A130 PolarHBondContact O-N 3.34Å; A130-K134 WeakPolarHBondContact O-CB 3.31Å; A130-K134 WeakPolarHBondContact O-CG 3.36Å; A130-K134 PolarHBondContact O-N 2.77Å
131A95.9Very high95Very high0 Ų066.7 Ų66.70%034%0.335CS..Hα-helixtrans-65.7-46.3178.200000111.8Y92 V95 I96 L127 I128 K133 K134 L135Y92-A131 HydrophobicContact CD1-CB 3.74Å; Y92-A131 HydrophobicContact CG-CB 4.38Å; V95-A131 HydrophobicContact CB-CB 4.14Å; V95-A131 HydrophobicContact CG1-CB 3.83Å; I96-A131 HydrophobicContact CD1-CB 3.71Å; I96-A131 HydrophobicContact CG1-CB 3.93Å; L127-A131 WeakPolarHBondContact O-CB 3.46Å; L127-A131 PolarHBondContact O-N 3.13Å; I128-A131 PolarHBondContact O-N 3.42Å; I128-A131 VanDerWaalsContact O-N 3.12Å; A131-K133 VanDerWaalsContact C-N 3.34Å; A131-K133 PolarHBondContact O-N 3.47Å; A131-K134 PolarHBondContact O-N 2.76Å; A131-L135 WeakPolarHBondContact O-CB 3.45Å; A131-L135 WeakPolarHBondContact O-CG 3.32Å; A131-L135 PolarHBondContact O-N 3.3Å
132V94.7Very high95Very high0 Ų068.8 Ų68.80%034%0.34CS..Hα-helixtrans-59.9-47.1178.1172.70000110I96 F117 I128 K134 L135 Y136 I138 V157I96-V132 HydrophobicContact CD1-CB 4.17Å; I96-V132 HydrophobicContact CD1-CG2 3.45Å; I96-V132 VanDerWaalsContact CD1-CG2 3.45Å; F117-V132 HydrophobicContact CD2-CG2 4.38Å; F117-V132 HydrophobicContact CE2-CG2 4.09Å; I128-V132 HydrophobicContact CG2-CG2 4.25Å; I128-V132 WeakPolarHBondContact O-CG2 3.13Å; I128-V132 PolarHBondContact O-N 3.15Å; V132-K134 VanDerWaalsContact C-N 3.34Å; V132-K134 PolarHBondContact O-N 2.91Å; V132-L135 PolarHBondContact O-N 3.5Å; V132-Y136 PolarHBondContact O-N 2.91Å; V132-I138 HydrophobicContact CG1-CB 3.96Å; V132-I138 HydrophobicContact CG1-CD1 3.93Å; V132-V157 HydrophobicContact CG1-CG1 4.32Å; V132-V157 HydrophobicContact CG2-CG1 4.34Å; V132-V157 HydrophobicContact CG2-CG2 4.24Å
133K94.9Very high95.1Very high105 Ų10561.8 Ų61.846%0.45731%0.31SS..Hα-helixtrans-59.8-42.2176.9-175.9170.4-176.6135.70112.5K129 A131 N137 I138 D139K129-K133 WeakPolarHBondContact O-CB 3.3Å; K129-K133 PolarHBondContact O-N 3.44Å; K129-K133 VanDerWaalsContact O-N 3.11Å; A131-K133 VanDerWaalsContact C-N 3.34Å; A131-K133 PolarHBondContact O-N 3.47Å; K133-N137 WeakPolarHBondContact O-CA 3.43Å; K133-N137 PolarHBondContact O-N 2.92Å; K133-N137 VanDerWaalsContact O-N 3.13Å; K133-I138 VanDerWaalsContact CA-O 3.25Å; K133-I138 WeakPolarHBondContact CA-O 3.24Å; K133-D139 VanDerWaalsContact CD-OD1 3.29Å; K133-D139 WeakPolarHBondContact CD-OD1 3.38Å; K133-D139 VanDerWaalsContact CE-OD1 3.29Å; K133-D139 WeakPolarHBondContact CE-OD1 3.41Å; K133-D139 IonicContact NZ-OD1 2.64Å; K133-D139 PolarHBondContact NZ-OD1 3.13Å; K133-D139 IonicContact NZ-OD2 2.8Å; K133-D139 PolarHBondContact NZ-OD2 3.4Å
134K94.5Very high95.1Very high139 Ų13964.9 Ų64.960%0.60433%0.327SS*.Hα-helixtrans-74.6-37-177.9-78-71.4-176.9-176.60114Y92 A130 A131 V132Y92-K134 HydrophobicContact CD2-CB 4.11Å; Y92-K134 HydrophobicContact CD2-CG 4.27Å; Y92-K134 HydrophobicContact CE2-CB 4.28Å; Y92-K134 HydrophobicContact CE2-CG 3.91Å; Y92-K134 HydrophobicContact CG-CB 4.36Å; A130-K134 WeakPolarHBondContact O-CB 3.31Å; A130-K134 WeakPolarHBondContact O-CG 3.36Å; A130-K134 PolarHBondContact O-N 2.77Å; A131-K134 PolarHBondContact O-N 2.76Å; V132-K134 VanDerWaalsContact C-N 3.34Å; V132-K134 PolarHBondContact O-N 2.91Å
135L92.5Very high95.2Very high46 Ų4662 Ų6224%0.24131%0.313CS..Hα-helixtrans-83.3-41.2-175.5-67.4-175.2000112.5F93 I96 A131 V132F93-L135 HydrophobicContact CD1-CD1 4.34Å; F93-L135 HydrophobicContact CD1-CD2 3.71Å; F93-L135 HydrophobicContact CE1-CD2 3.36Å; F93-L135 HydrophobicContact CE2-CD2 4.23Å; F93-L135 HydrophobicContact CG-CD2 4.29Å; F93-L135 HydrophobicContact CZ-CD2 3.64Å; I96-L135 HydrophobicContact CB-CD1 4.3Å; I96-L135 HydrophobicContact CD1-CD1 4.19Å; A131-L135 WeakPolarHBondContact O-CB 3.45Å; A131-L135 WeakPolarHBondContact O-CG 3.32Å; A131-L135 PolarHBondContact O-N 3.3Å; V132-L135 PolarHBondContact O-N 3.5Å
136Y91.4Very high95.2Very high62 Ų6260.5 Ų60.524%0.24331%0.309CS..Hα-helixtrans-116.81.3-170.2-55.6-59.6000113.4I96 F117 V132 I138 V172I96-Y136 HydrophobicContact CD1-CE2 4.31Å; I96-Y136 HydrophobicContact CG2-CE2 4.35Å; F117-Y136 HydrophobicContact CE1-CD2 4.48Å; F117-Y136 AromaticContact CE1-CE2 3.75Å; F117-Y136 HydrophobicContact CE1-CE2 3.75Å; F117-Y136 HydrophobicContact CZ-CD2 4.23Å; F117-Y136 AromaticContact CZ-CE2 3.95Å; F117-Y136 HydrophobicContact CZ-CE2 3.95Å; V132-Y136 PolarHBondContact O-N 2.91Å; Y136-I138 HydrophobicContact CD2-CD1 4.17Å; Y136-I138 HydrophobicContact CG-CD1 4.06Å; Y136-I138 WeakPolarHBondContact O-CG1 3.04Å; Y136-I138 PolarHBondContact O-N 3.43Å; Y136-V172 HydrophobicContact CD1-CG2 3.73Å; Y136-V172 HydrophobicContact CD2-CG2 4.35Å; Y136-V172 HydrophobicContact CE1-CB 4.46Å; Y136-V172 HydrophobicContact CE1-CG1 4.04Å; Y136-V172 HydrophobicContact CE1-CG2 3.96Å; Y136-V172 HydrophobicContact CE2-CG1 4.33Å; Y136-V172 HydrophobicContact CG-CG2 3.93Å
137N91.6Very high95.2Very high144 Ų14461.1 Ų61.177%0.7731%0.306SS*.  trans55.633.7-174.8-59.5-44.5000113.4K133K133-N137 WeakPolarHBondContact O-CA 3.43Å; K133-N137 PolarHBondContact O-N 2.92Å; K133-N137 VanDerWaalsContact O-N 3.13Å
138I91.1Very high95.2Very high3 Ų361.5 Ų61.52%0.01530%0.304CS..PPolyproline II helixtrans-103130.4-179.7-47.2156.2000109.7L115 V132 K133 Y136 L159 I168L115-I138 HydrophobicContact CD1-CD1 3.72Å; V132-I138 HydrophobicContact CG1-CB 3.96Å; V132-I138 HydrophobicContact CG1-CD1 3.93Å; K133-I138 VanDerWaalsContact CA-O 3.25Å; K133-I138 WeakPolarHBondContact CA-O 3.24Å; Y136-I138 HydrophobicContact CD2-CD1 4.17Å; Y136-I138 HydrophobicContact CG-CD1 4.06Å; Y136-I138 WeakPolarHBondContact O-CG1 3.04Å; Y136-I138 PolarHBondContact O-N 3.43Å; I138-L159 HydrophobicContact CG2-CD1 3.89Å; I138-L159 HydrophobicContact CG2-CD2 3.41Å; I138-L159 VanDerWaalsContact CG2-CD2 3.41Å; I138-L159 HydrophobicContact CG2-CG 4.16Å; I138-I168 HydrophobicContact CB-CD1 4.45Å; I138-I168 HydrophobicContact CD1-CD1 4.37Å; I138-I168 HydrophobicContact CD1-CG2 3.35Å; I138-I168 HydrophobicContact CG1-CD1 3.9Å; I138-I168 HydrophobicContact CG1-CG1 4.47Å; I138-I168 HydrophobicContact CG1-CG2 3.82Å; I138-I168 HydrophobicContact CG2-CD1 3.76Å
139D93.1Very high95.2Very high78 Ų7867.9 Ų67.942%0.41735%0.345SS..PPolyproline II helixtrans-86.3121.3169.2-81.3-43.3000111.1K133 A160K133-D139 VanDerWaalsContact CD-OD1 3.29Å; K133-D139 WeakPolarHBondContact CD-OD1 3.38Å; K133-D139 VanDerWaalsContact CE-OD1 3.29Å; K133-D139 WeakPolarHBondContact CE-OD1 3.41Å; K133-D139 IonicContact NZ-OD1 2.64Å; K133-D139 PolarHBondContact NZ-OD1 3.13Å; K133-D139 IonicContact NZ-OD2 2.8Å; K133-D139 PolarHBondContact NZ-OD2 3.4Å; D139-A160 PolarHBondContact O-N 3.37Å
140A94.1Very high95.1Very high3 Ų368.4 Ų68.43%0.02535%0.352CS..EExtended strand (participates in β ladder)trans-101.6125.6178.700000110.3K129 V143 V157 H158K129-A140 WeakPolarHBondContact CD-O 3.3Å; K129-A140 WeakPolarHBondContact CE-O 3.49Å; K129-A140 HydrophobicContact CG-CB 4.29Å; K129-A140 PolarHBondContact NZ-O 3.37Å; A140-V143 HydrophobicContact CB-CG2 4.44Å; A140-V157 HydrophobicContact CB-CG1 3.41Å; A140-V157 VanDerWaalsContact CB-CG1 3.41Å; A140-H158 CarbonylContact C-O 3.56Å; A140-H158 WeakPolarHBondContact CA-O 3.4Å
141D94.7Very high95.1Very high86 Ų8668.5 Ų68.546%0.4636%0.357SS..EExtended strand (participates in β ladder)trans-67.8-57173.6-77.4-12.9000110.3K129 H158 A160K129-D141 PolarHBondContact NZ-O 3.43Å; D141-H158 PolarHBondContact N-O 3.29Å; D141-A160 WeakPolarHBondContact OD2-CA 3.34Å
142K96.3Very high95.1Very high128 Ų12871.6 Ų71.656%0.55737%0.372SS*.EExtended strand (participates in β ladder)trans-137.6139.2-172.4-172.4175.4-179.2178.10111.5N144 H158K142-N144 WeakPolarHBondContact CE-OD1 3.5Å; K142-H158 HydrophobicContact CB-CB 4.31Å; K142-H158 PolarHBondContact O-N 2.92Å
143V97.7Very high95.3Very high10 Ų1072.9 Ų72.96%0.06138%0.377CS..EExtended strand (participates in β ladder)trans-116.5121.1173.3-177.90000109.9K125 I128 K129 A140 T145 A155 Y156 V157K125-V143 HydrophobicContact CB-CB 4.4Å; K125-V143 VanDerWaalsContact CD-O 3.24Å; K125-V143 WeakPolarHBondContact CD-O 3.23Å; K125-V143 WeakPolarHBondContact CE-O 3.35Å; K125-V143 HydrophobicContact CG-CG1 4.49Å; I128-V143 HydrophobicContact CB-CG1 4.19Å; I128-V143 HydrophobicContact CD1-CG1 4.26Å; I128-V143 HydrophobicContact CG2-CG1 3.93Å; K129-V143 HydrophobicContact CB-CG2 4.05Å; A140-V143 HydrophobicContact CB-CG2 4.44Å; V143-T145 HydrophobicContact CG1-CG2 4.09Å; V143-A155 HydrophobicContact CG1-CB 4.4Å; V143-Y156 CarbonylContact C-O 3.59Å; V143-Y156 WeakPolarHBondContact CA-O 3.35Å; V143-V157 HydrophobicContact CG1-CG2 4.41Å; V143-V157 HydrophobicContact CG2-CG1 4.32Å; V143-V157 HydrophobicContact CG2-CG2 4.36Å
144N97.5Very high95.4Very high66 Ų6669.2 Ų69.235%0.35336%0.361SS..EExtended strand (participates in β ladder)trans-107.3141.4170.8-63-34.3000109.2K142 A155 Y156K142-N144 WeakPolarHBondContact CE-OD1 3.5Å; N144-A155 CarbonylContact O-C 3.56Å; N144-A155 VanDerWaalsContact O-CA 3.31Å; N144-A155 WeakPolarHBondContact O-CA 3.37Å; N144-Y156 PolarHBondContact N-O 3.42Å; N144-Y156 PolarHBondContact O-N 3.21Å
145T98Very high95.6Very high48 Ų4862.6 Ų62.629%0.29433%0.332SS..EExtended strand (participates in β ladder)trans-134141.5-176.456.70000110.1K125 I128 V143 K153 K154 A155K125-T145 HydrophobicContact CG-CG2 4.11Å; I128-T145 HydrophobicContact CD1-CG2 3.58Å; V143-T145 HydrophobicContact CG1-CG2 4.09Å; T145-K153 HydrophobicContact CG2-CD 4.31Å; T145-K154 CarbonylContact C-O 3.6Å; T145-K154 VanDerWaalsContact CA-O 3.3Å; T145-K154 WeakPolarHBondContact CA-O 3.37Å; T145-A155 HydrophobicContact CG2-CB 4.11Å
146L97.3Very high95.8Very high70 Ų7063.5 Ų63.537%0.36633%0.333SS..EExtended strand (participates in β ladder)trans-131.9162166.464.5147.7000110.2K153 K154 Y156L146-K153 CarbonylContact O-C 3.54Å; L146-K153 WeakPolarHBondContact O-CA 3.23Å; L146-K153 WeakPolarHBondContact O-CG 3.43Å; L146-K154 HydrophobicContact CD2-CB 3.93Å; L146-K154 HydrophobicContact CD2-CD 4.15Å; L146-K154 HydrophobicContact CD2-CG 4.26Å; L146-K154 HydrophobicContact CG-CB 4.02Å; L146-K154 PolarHBondContact N-O 2.94Å; L146-K154 PolarHBondContact O-N 3.43Å; L146-Y156 HydrophobicContact CD2-CD2 3.81Å; L146-Y156 HydrophobicContact CD2-CE2 3.21Å
147I97.8Very high96.1Very high113 Ų11360.6 Ų60.658%0.57932%0.322SS*.EExtended strand (participates in β ladder)trans-98.1125.9167.6-60.3174.9000106.7L121L121-I147 HydrophobicContact CD2-CG2 4.45Å
148R96Very high96.3Very high63 Ų6357.1 Ų57.124%0.23830%0.301CS..  trans-72.1154.4172.7-71.9173.255.8161.5-1109.9D150 G151 Q152 K154R148-D150 IonicContact CZ-OD2 3.49Å; R148-D150 IonicContact NE-OD2 2.67Å; R148-D150 PolarHBondContact NE-OD2 3.25Å; R148-D150 IonicContact NH2-OD2 3.62Å; R148-D150 PolarHBondContact NH2-OD2 2.84Å; R148-D150 PolarHBondContact O-N 2.99Å; R148-D150 VanDerWaalsContact O-N 3.12Å; R148-G151 PolarHBondContact O-N 3.48Å; R148-Q152 WeakPolarHBondContact CB-O 3.34Å; R148-Q152 PolarHBondContact N-O 3.04Å; R148-K154 HydrophobicContact CG-CB 4.18Å
149P97.3Very high96.5Very high135 Ų13557 Ų5788%0.87730%0.3SS*.THydrogen-bonded Turntrans-57.1-25.5171.624.8-34.6000112.8G151P149-G151 PolarHBondContact O-N 2.88Å; P149-G151 VanDerWaalsContact O-N 3.09Å
150D94.8Very high96.4Very high100 Ų10053.8 Ų53.854%0.53529%0.285SS..THydrogen-bonded Turntrans-72.44.5175.8-39.5-61000114.3R148 Q152R148-D150 IonicContact CZ-OD2 3.49Å; R148-D150 IonicContact NE-OD2 2.67Å; R148-D150 PolarHBondContact NE-OD2 3.25Å; R148-D150 IonicContact NH2-OD2 3.62Å; R148-D150 PolarHBondContact NH2-OD2 2.84Å; R148-D150 PolarHBondContact O-N 2.99Å; R148-D150 VanDerWaalsContact O-N 3.12Å; D150-Q152 VanDerWaalsContact C-N 3.32Å; D150-Q152 PolarHBondContact O-N 3.46Å
151G95.7Very high96.3Very high40 Ų4060.1 Ų60.141%0.41232%0.323SS..SBendtrans73.620.6-179.400000114.2L121 R148 P149L121-G151 WeakPolarHBondContact CD1-O 3.24Å; L121-G151 VanDerWaalsContact CD2-O 3.3Å; L121-G151 WeakPolarHBondContact CD2-O 3.38Å; R148-G151 PolarHBondContact O-N 3.48Å; P149-G151 PolarHBondContact O-N 2.88Å; P149-G151 VanDerWaalsContact O-N 3.09Å
152Q96.1Very high96.1Very high65 Ų6562.2 Ų62.230%0.30434%0.335SS..  trans-111.2147.6174.4-60.7-172.2-14.200111.3L118 R148 D150L118-Q152 HydrophobicContact CD2-CB 4.06Å; R148-Q152 WeakPolarHBondContact CB-O 3.34Å; R148-Q152 PolarHBondContact N-O 3.04Å; D150-Q152 VanDerWaalsContact C-N 3.32Å; D150-Q152 PolarHBondContact O-N 3.46Å
153K98Very high95.8Very high26 Ų2658.4 Ų58.411%0.11332%0.322CS..EExtended strand (participates in β ladder)trans-88125.4176.3-171.8174.3-68.4-172.60109.6V119 L121 A123 T145 L146V119-K153 HydrophobicContact CB-CB 4.5Å; V119-K153 PolarHBondContact N-O 2.97Å; L121-K153 HydrophobicContact CD2-CB 4.21Å; L121-K153 WeakPolarHBondContact O-CE 3.33Å; L121-K153 PolarHBondContact O-NZ 3.35Å; A123-K153 PolarHBondContact O-NZ 2.8Å; T145-K153 HydrophobicContact CG2-CD 4.31Å; L146-K153 CarbonylContact O-C 3.54Å; L146-K153 WeakPolarHBondContact O-CA 3.23Å; L146-K153 WeakPolarHBondContact O-CG 3.43Å
154K97.8Very high95.5Very high28 Ų2862 Ų6212%0.12234%0.34CS..EExtended strand (participates in β ladder)trans-98.9132.4171-172.7-174.5-60.2-169.40108.5L100 V116 F117 T145 L146 R148 Y156L100-K154 HydrophobicContact CD2-CD 3.86Å; L100-K154 VanDerWaalsContact CD2-CE 3.47Å; L100-K154 HydrophobicContact CD2-CG 4.33Å; V116-K154 HydrophobicContact CG1-CD 3.76Å; V116-K154 HydrophobicContact CG1-CG 3.55Å; F117-K154 WeakPolarHBondContact O-CA 3.47Å; T145-K154 CarbonylContact C-O 3.6Å; T145-K154 VanDerWaalsContact CA-O 3.3Å; T145-K154 WeakPolarHBondContact CA-O 3.37Å; L146-K154 HydrophobicContact CD2-CB 3.93Å; L146-K154 HydrophobicContact CD2-CD 4.15Å; L146-K154 HydrophobicContact CD2-CG 4.26Å; L146-K154 HydrophobicContact CG-CB 4.02Å; L146-K154 PolarHBondContact N-O 2.94Å; L146-K154 PolarHBondContact O-N 3.43Å; R148-K154 HydrophobicContact CG-CB 4.18Å; K154-Y156 HydrophobicContact CD-CE1 4.36Å; K154-Y156 HydrophobicContact CD-CE2 4.18Å
155A98Very high95.3Very high0 Ų058.8 Ų58.80%032%0.324CS..EExtended strand (participates in β ladder)trans-118.6123.9176.500000110.1V116 F117 V119 I128 V143 N144 T145 V157V116-A155 CarbonylContact C-O 3.46Å; V116-A155 VanDerWaalsContact CA-O 3.31Å; V116-A155 WeakPolarHBondContact CA-O 3.21Å; F117-A155 PolarHBondContact N-O 2.96Å; F117-A155 PolarHBondContact O-N 3.48Å; V119-A155 HydrophobicContact CG2-CB 3.59Å; I128-A155 HydrophobicContact CD1-CB 4.16Å; I128-A155 HydrophobicContact CG2-CB 4.24Å; V143-A155 HydrophobicContact CG1-CB 4.4Å; N144-A155 CarbonylContact O-C 3.56Å; N144-A155 VanDerWaalsContact O-CA 3.31Å; N144-A155 WeakPolarHBondContact O-CA 3.37Å; T145-A155 HydrophobicContact CG2-CB 4.11Å; A155-V157 HydrophobicContact CB-CG2 4.48Å
156Y97.7Very high95Very high66 Ų6659.9 Ų59.926%0.25933%0.327SS..EExtended strand (participates in β ladder)trans-91.7119.7166.1-60.9-81.7000108.2K108 V116 V143 N144 L146 K154K108-Y156 HydrophobicContact CG-CE1 4.48Å; V116-Y156 HydrophobicContact CB-CD1 4.44Å; V116-Y156 HydrophobicContact CG1-CD1 4.13Å; V116-Y156 HydrophobicContact CG1-CE1 4.03Å; V116-Y156 HydrophobicContact CG2-CD1 3.56Å; V116-Y156 HydrophobicContact CG2-CE1 3.75Å; V143-Y156 CarbonylContact C-O 3.59Å; V143-Y156 WeakPolarHBondContact CA-O 3.35Å; N144-Y156 PolarHBondContact N-O 3.42Å; N144-Y156 PolarHBondContact O-N 3.21Å; L146-Y156 HydrophobicContact CD2-CD2 3.81Å; L146-Y156 HydrophobicContact CD2-CE2 3.21Å; K154-Y156 HydrophobicContact CD-CE1 4.36Å; K154-Y156 HydrophobicContact CD-CE2 4.18Å
157V96.7Very high94.7Very high0 Ų061.2 Ų61.20%034%0.335CS..EExtended strand (participates in β ladder)trans-113.4104.2-176.4-176.20000107.1T114 L115 F117 I128 V132 A140 V143 A155 L159T114-V157 CarbonylContact C-O 3.46Å; T114-V157 VanDerWaalsContact CA-O 3.27Å; T114-V157 WeakPolarHBondContact CA-O 3.25Å; L115-V157 PolarHBondContact N-O 3.22Å; L115-V157 PolarHBondContact O-N 2.79Å; F117-V157 HydrophobicContact CD2-CB 4.45Å; F117-V157 HydrophobicContact CD2-CG2 3.76Å; F117-V157 HydrophobicContact CE2-CB 4.4Å; F117-V157 HydrophobicContact CE2-CG2 4.12Å; I128-V157 HydrophobicContact CG2-CG2 4.31Å; V132-V157 HydrophobicContact CG1-CG1 4.32Å; V132-V157 HydrophobicContact CG2-CG1 4.34Å; V132-V157 HydrophobicContact CG2-CG2 4.24Å; A140-V157 HydrophobicContact CB-CG1 3.41Å; A140-V157 VanDerWaalsContact CB-CG1 3.41Å; V143-V157 HydrophobicContact CG1-CG2 4.41Å; V143-V157 HydrophobicContact CG2-CG1 4.32Å; V143-V157 HydrophobicContact CG2-CG2 4.36Å; A155-V157 HydrophobicContact CB-CG2 4.48Å; V157-L159 HydrophobicContact CG1-CD2 4.04Å
158H96.1Very high94.3Very high71 Ų7156.6 Ų56.633%0.32931%0.311SS..EExtended strand (participates in β ladder)trans-78.7125.5174.4-170.354.6000109N112 N113 T114 A140 D141 K142N112-H158 PolarHBondContact O-CE1 3.01Å; N112-H158 PolarHBondContact O-ND1 3.39Å; N113-H158 PolarHBondContact O-ND1 2.84Å; T114-H158 HydrophobicContact CG2-CB 3.85Å; A140-H158 CarbonylContact C-O 3.56Å; A140-H158 WeakPolarHBondContact CA-O 3.4Å; D141-H158 PolarHBondContact N-O 3.29Å; K142-H158 HydrophobicContact CB-CB 4.31Å; K142-H158 PolarHBondContact O-N 2.92Å
159L95.5Very high94.2Very high0 Ų053.8 Ų53.80%030%0.301CS..EExtended strand (participates in β ladder)trans-87.8159.1179.8-51.7-166.8000110.1N113 L115 I138 V157 A165 I168N113-L159 PolarHBondContact O-N 3.48Å; L115-L159 HydrophobicContact CD1-CD1 4.04Å; L115-L159 HydrophobicContact CD1-CD2 4.25Å; L115-L159 HydrophobicContact CG-CD1 4.1Å; L115-L159 HydrophobicContact CG-CD2 4.43Å; L115-L159 HydrophobicContact CG-CG 4.45Å; I138-L159 HydrophobicContact CG2-CD1 3.89Å; I138-L159 HydrophobicContact CG2-CD2 3.41Å; I138-L159 VanDerWaalsContact CG2-CD2 3.41Å; I138-L159 HydrophobicContact CG2-CG 4.16Å; V157-L159 HydrophobicContact CG1-CD2 4.04Å; L159-A165 HydrophobicContact CD1-CB 3.8Å; L159-A165 HydrophobicContact CG-CB 4.49Å; L159-I168 HydrophobicContact CD1-CD1 3.48Å; L159-I168 VanDerWaalsContact CD1-CD1 3.48Å
160A92.1Very high93.7Very high12 Ų1251.5 Ų51.510%0.09928%0.281CS..PPolyproline II helixtrans-65.4152.2171.400000110.9N113 D139 D141 D162 V163N113-A160 PolarHBondContact ND2-O 2.95Å; D139-A160 PolarHBondContact O-N 3.37Å; D141-A160 WeakPolarHBondContact OD2-CA 3.34Å; A160-D162 WeakPolarHBondContact CB-OD1 3.36Å; A160-D162 PolarHBondContact O-N 3.4Å; A160-V163 PolarHBondContact O-N 3.49Å
161T90.4Very high93.4Very high135 Ų13553.4 Ų53.483%0.82829%0.285SS*.THydrogen-bonded Turntrans-67.2-19-171.751.40000114.3V163T161-V163 VanDerWaalsContact C-N 3.28Å
162D90.5Very high93.1Very high131 Ų13151.7 Ų51.770%0.70127%0.267SS*.THydrogen-bonded Turntrans-75.9-15177.958.6-45.3000113.2A160A160-D162 WeakPolarHBondContact CB-OD1 3.36Å; A160-D162 PolarHBondContact O-N 3.4Å
163V89.8Confident92.5Very high48 Ų4850.8 Ų50.829%0.29126%0.263SS..SBendtrans-121.1126.2-177-156.60000111.1N113 A160 T161 I168N113-V163 PolarHBondContact ND2-O 2.92Å; N113-V163 PolarHBondContact OD1-O 3.49Å; A160-V163 PolarHBondContact O-N 3.49Å; T161-V163 VanDerWaalsContact C-N 3.28Å; V163-I168 HydrophobicContact CB-CD1 4.19Å; V163-I168 HydrophobicContact CG1-CD1 3.28Å; V163-I168 HydrophobicContact CG1-CG1 4.02Å
164D91.5Very high91.5Very high84 Ų8455.1 Ų55.145%0.44929%0.286SS..  trans-79.4122.7176.9-168.2-10.2000111.3L166 I168D164-L166 PolarHBondContact O-N 3.07Å; D164-L166 PolarHBondContact OD1-N 2.78Å; D164-I168 PolarHBondContact O-N 3.26Å
165A93.1Very high90.6Very high0 Ų059.5 Ų59.50%031%0.311CS..Hα-helixtrans-62.8-27.7175.800000112.6I109 N113 L115 L159 A169I109-A165 HydrophobicContact CG2-CB 3.89Å; N113-A165 WeakPolarHBondContact OD1-CA 3.28Å; N113-A165 WeakPolarHBondContact OD1-CB 3.21Å; N113-A165 PolarHBondContact OD1-N 3.49Å; L115-A165 HydrophobicContact CD2-CB 4.22Å; L115-A165 HydrophobicContact CG-CB 4.44Å; L159-A165 HydrophobicContact CD1-CB 3.8Å; L159-A165 HydrophobicContact CG-CB 4.49Å; A165-A169 WeakPolarHBondContact O-CB 3.5Å; A165-A169 PolarHBondContact O-N 3.04Å
166L92.4Very high89.6Confident71 Ų7161.4 Ų61.437%0.37233%0.327SS..Hα-helixtrans-67.1-46.9-179-172.661.9000111.4I109 D164 I168 A169 N170I109-L166 HydrophobicContact CG2-CB 4.45Å; I109-L166 HydrophobicContact CG2-CD1 4.34Å; D164-L166 PolarHBondContact O-N 3.07Å; D164-L166 PolarHBondContact OD1-N 2.78Å; L166-I168 VanDerWaalsContact C-N 3.32Å; L166-I168 PolarHBondContact O-N 3.48Å; L166-A169 PolarHBondContact O-N 2.81Å; L166-N170 PolarHBondContact O-N 2.74Å; L166-N170 PolarHBondContact O-ND2 2.86Å
167D90.6Very high88.5Confident98 Ų9864.4 Ų64.452%0.52434%0.339SS..Hα-helixtrans-62.1-41176.9-78.2-14.3000112.2K171D167-K171 PolarHBondContact O-N 3.46Å
168I91.2Very high86.5Confident16 Ų1670.1 Ų70.18%0.08240%0.397CS..Hα-helixtrans-68.5-42.9175.7-66.6168000110.7L115 I138 L159 V163 D164 L166 N170 K171 V172L115-I168 HydrophobicContact CD1-CB 4.45Å; L115-I168 HydrophobicContact CD1-CG2 3.67Å; I138-I168 HydrophobicContact CB-CD1 4.45Å; I138-I168 HydrophobicContact CD1-CD1 4.37Å; I138-I168 HydrophobicContact CD1-CG2 3.35Å; I138-I168 HydrophobicContact CG1-CD1 3.9Å; I138-I168 HydrophobicContact CG1-CG1 4.47Å; I138-I168 HydrophobicContact CG1-CG2 3.82Å; I138-I168 HydrophobicContact CG2-CD1 3.76Å; L159-I168 HydrophobicContact CD1-CD1 3.48Å; L159-I168 VanDerWaalsContact CD1-CD1 3.48Å; V163-I168 HydrophobicContact CB-CD1 4.19Å; V163-I168 HydrophobicContact CG1-CD1 3.28Å; V163-I168 HydrophobicContact CG1-CG1 4.02Å; D164-I168 PolarHBondContact O-N 3.26Å; L166-I168 VanDerWaalsContact C-N 3.32Å; L166-I168 PolarHBondContact O-N 3.48Å; I168-N170 VanDerWaalsContact C-N 3.26Å; I168-N170 PolarHBondContact O-N 2.99Å; I168-K171 WeakPolarHBondContact O-CB 3.46Å; I168-K171 PolarHBondContact O-N 3.16Å; I168-V172 HydrophobicContact CG2-CG2 3.73Å; I168-V172 VanDerWaalsContact O-CG2 3.31Å; I168-V172 WeakPolarHBondContact O-CG2 3.4Å; I168-V172 PolarHBondContact O-N 2.83Å
169A92Very high86Confident3 Ų370.1 Ų70.13%0.02540%0.401CS..Hα-helixtrans-57.6-43.1-17900000110.4I109 L115 A165 L166 K171 V172 I173I109-A169 HydrophobicContact CD1-CB 3.95Å; I109-A169 HydrophobicContact CG2-CB 4.04Å; L115-A169 HydrophobicContact CD2-CB 3.96Å; A165-A169 WeakPolarHBondContact O-CB 3.5Å; A165-A169 PolarHBondContact O-N 3.04Å; L166-A169 PolarHBondContact O-N 2.81Å; A169-K171 VanDerWaalsContact C-N 3.33Å; A169-K171 PolarHBondContact O-N 3.3Å; A169-V172 PolarHBondContact O-N 2.86Å; A169-I173 HydrophobicContact CB-CD1 4.1Å; A169-I173 WeakPolarHBondContact O-CB 3.28Å; A169-I173 WeakPolarHBondContact O-CD1 3.49Å; A169-I173 WeakPolarHBondContact O-CG1 3.5Å; A169-I173 PolarHBondContact O-N 2.98Å
170N88.5Confident85.5Confident87 Ų8773.7 Ų73.747%0.46542%0.422SS..Hα-helixtrans-57.3-45.4175.2-69.1-28.1000111.8L166 I168 I174L166-N170 PolarHBondContact O-N 2.74Å; L166-N170 PolarHBondContact O-ND2 2.86Å; I168-N170 VanDerWaalsContact C-N 3.26Å; I168-N170 PolarHBondContact O-N 2.99Å; N170-I174 WeakPolarHBondContact O-CB 3.21Å; N170-I174 VanDerWaalsContact O-CD1 3.31Å; N170-I174 WeakPolarHBondContact O-CD1 3.33Å; N170-I174 WeakPolarHBondContact O-CG1 3.32Å; N170-I174 PolarHBondContact O-N 3.48Å
171K87.6Confident85.2Confident141 Ų14177.2 Ų77.261%0.61344%0.44SS*.Hα-helixtrans-63.9-42.1176.3-65.9170.7-177.4168.20112.5D167 I168 A169 N175D167-K171 PolarHBondContact O-N 3.46Å; I168-K171 WeakPolarHBondContact O-CB 3.46Å; I168-K171 PolarHBondContact O-N 3.16Å; A169-K171 VanDerWaalsContact C-N 3.33Å; A169-K171 PolarHBondContact O-N 3.3Å; K171-N175 WeakPolarHBondContact O-CB 3.22Å; K171-N175 PolarHBondContact O-N 2.89Å; K171-N175 PolarHBondContact O-ND2 3.35Å; K171-N175 VanDerWaalsContact O-ND2 3.15Å
172V88.8Confident84.8Confident4 Ų473.8 Ų73.82%0.02442%0.417CS..Hα-helixtrans-74.6-41.5-176.5174.20000111.7P99 F117 Y136 I168 A169 N175 A176P99-V172 HydrophobicContact CB-CG1 4.15Å; P99-V172 HydrophobicContact CG-CG1 4.08Å; F117-V172 HydrophobicContact CE1-CG1 3.98Å; F117-V172 HydrophobicContact CZ-CG1 4.45Å; Y136-V172 HydrophobicContact CD1-CG2 3.73Å; Y136-V172 HydrophobicContact CD2-CG2 4.35Å; Y136-V172 HydrophobicContact CE1-CB 4.46Å; Y136-V172 HydrophobicContact CE1-CG1 4.04Å; Y136-V172 HydrophobicContact CE1-CG2 3.96Å; Y136-V172 HydrophobicContact CE2-CG1 4.33Å; Y136-V172 HydrophobicContact CG-CG2 3.93Å; I168-V172 HydrophobicContact CG2-CG2 3.73Å; I168-V172 VanDerWaalsContact O-CG2 3.31Å; I168-V172 WeakPolarHBondContact O-CG2 3.4Å; I168-V172 PolarHBondContact O-N 2.83Å; A169-V172 PolarHBondContact O-N 2.86Å; V172-N175 PolarHBondContact O-N 2.8Å; V172-A176 VanDerWaalsContact O-CB 3.3Å; V172-A176 WeakPolarHBondContact O-CB 3.49Å; V172-A176 PolarHBondContact O-N 2.81Å
173I84.4Confident84.5Confident46 Ų4670.2 Ų70.224%0.23640%0.399CS..Hα-helixtrans-67.2-44.5-178.2-68.9167.4000110T101 A169 N175 A176 Y177T101-I173 HydrophobicContact CG2-CD1 4.49Å; T101-I173 HydrophobicContact CG2-CG1 4.34Å; A169-I173 HydrophobicContact CB-CD1 4.1Å; A169-I173 WeakPolarHBondContact O-CB 3.28Å; A169-I173 WeakPolarHBondContact O-CD1 3.49Å; A169-I173 WeakPolarHBondContact O-CG1 3.5Å; A169-I173 PolarHBondContact O-N 2.98Å; I173-N175 VanDerWaalsContact C-N 3.34Å; I173-N175 PolarHBondContact O-N 3.44Å; I173-A176 PolarHBondContact O-N 3.47Å; I173-Y177 HydrophobicContact CG2-CD2 4.24Å; I173-Y177 WeakPolarHBondContact O-CD2 3.09Å; I173-Y177 PolarHBondContact O-N 3.46Å
174I77.6Confident84.1Confident116 Ų11671.7 Ų71.760%0.59541%0.406SS*.Hα-helixtrans-58.7-47.3175.3-67.4167.4000110.3N170 A176 Y177 G178N170-I174 WeakPolarHBondContact O-CB 3.21Å; N170-I174 VanDerWaalsContact O-CD1 3.31Å; N170-I174 WeakPolarHBondContact O-CD1 3.33Å; N170-I174 WeakPolarHBondContact O-CG1 3.32Å; N170-I174 PolarHBondContact O-N 3.48Å; I174-A176 VanDerWaalsContact C-N 3.28Å; I174-A176 PolarHBondContact O-N 3.08Å; I174-Y177 PolarHBondContact O-N 2.98Å; I174-G178 WeakPolarHBondContact O-CA 3.38Å; I174-G178 PolarHBondContact O-N 3.44Å
175N78.5Confident83.6Confident120 Ų12070.8 Ų70.864%0.64240%0.403SS*.Hα-helixtrans-71.8-17.9-178.2-70-18.2000114.6K171 V172 I173K171-N175 WeakPolarHBondContact O-CB 3.22Å; K171-N175 PolarHBondContact O-N 2.89Å; K171-N175 PolarHBondContact O-ND2 3.35Å; K171-N175 VanDerWaalsContact O-ND2 3.15Å; V172-N175 PolarHBondContact O-N 2.8Å; I173-N175 VanDerWaalsContact C-N 3.34Å; I173-N175 PolarHBondContact O-N 3.44Å
176A76.8Confident82.9Confident40 Ų4076.2 Ų76.233%0.33143%0.434SS..Hα-helixtrans-89.4-24.3-179.400000113.2P99 V172 I173 I174P99-A176 VanDerWaalsContact CD-CB 3.46Å; P99-A176 HydrophobicContact CG-CB 3.72Å; V172-A176 VanDerWaalsContact O-CB 3.3Å; V172-A176 WeakPolarHBondContact O-CB 3.49Å; V172-A176 PolarHBondContact O-N 2.81Å; I173-A176 PolarHBondContact O-N 3.47Å; I174-A176 VanDerWaalsContact C-N 3.28Å; I174-A176 PolarHBondContact O-N 3.08Å
177Y75.2Confident82.1Confident130 Ų13076.7 Ų76.751%0.5144%0.439SS..Hα-helixtrans-125-8-174.2-65.8-75.4000114.5P99 T101 I173 I174P99-Y177 HydrophobicContact CG-CE2 4.21Å; T101-Y177 HydrophobicContact CG2-CE2 3.8Å; I173-Y177 HydrophobicContact CG2-CD2 4.24Å; I173-Y177 WeakPolarHBondContact O-CD2 3.09Å; I173-Y177 PolarHBondContact O-N 3.46Å; I174-Y177 PolarHBondContact O-N 2.98Å
178G54Low81.3Confident119 Ų11974.7 Ų74.7100%1.22743%0.432SS*.  trans-86.70167.200000111.4I174I174-G178 WeakPolarHBondContact O-CA 3.38Å; I174-G178 PolarHBondContact O-N 3.44Å

Retrieved 178 of 178 residues in 330.5 ms (Link to these results)