A0A075IK76_PANPA Loading...

Cysteine-rich secretory protein 1

AlphaFold DB (A0A6D2X370), UniProt , Accession A0A075IK76, Species PANPA (Pan paniscus, Pygmy chimpanzee), Gene CRISP1, Length 249 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.8Very low45.3Very low228 Ų228171.8 Ų171.8100%1.12385%0.853SS**  0840-93.7161.951.100107.1
2E40.4Very low45.8Very low166 Ų166163.3 Ų163.378%0.77683%0.829SS**  74.8128.579.9-70.5-98.3128.400110.4
3I41.8Very low46.3Very low133 Ų133156.5 Ų156.568%0.68281%0.814SS**  cis-152.5139.5-4.8-98.6174.2000105
4K40.6Very low46.6Very low192 Ų192152.6 Ų152.684%0.83581%0.805SS**  trans-78.2136.1173.2-88.8173173.6174.60110.9
5R50.7Low47Very low243 Ų243149.9 Ų149.992%0.91779%0.79SS**  trans31.2103141.3-65.7-174.3175-159.3-2116.6
6L48.9Very low47.3Very low168 Ų168148.9 Ų148.988%0.8879%0.785SS**  trans-143.473.9161.8-156.484.2000112.1
7L48.5Very low47.9Very low159 Ų159144.2 Ų144.283%0.83277%0.765SS**  trans-145.8106.9162.9-85.8164.5000105.7
8F45.5Very low48.5Very low213 Ų213142.9 Ų142.993%0.93476%0.755SS**  trans153.364.4157.8-83.9-63000110.6
9L47.8Very low49.1Very low164 Ų164140.3 Ų140.386%0.85974%0.742SS**  trans-148.433.8172.7-97.5-178.9000115.3
10V47.7Very low49.6Very low139 Ų139137.3 Ų137.384%0.84273%0.732SS**SBendtrans-120-4.4178.8-168.30000115.1
11A49.3Very low50.2Low85 Ų85137.1 Ų137.170%0.70273%0.729SS**SBendtrans-86-7.5-178.400000115.9
12A52.1Low51.4Low69 Ų69133.9 Ų133.957%0.5771%0.708SS**SBendtrans-90.1-18.2-170.200000115.4
13A51.4Low52.4Low76 Ų76133.1 Ų133.163%0.62870%0.703SS**THydrogen-bonded Turntrans-86.4-22.3-169.600000115P17A13-P17 WeakPolarHBondContact O-CD 3.16Å
14C50.7Low53.5Low102 Ų102133.6 Ų133.669%0.68970%0.7SS**THydrogen-bonded Turntrans-88.6-18.4179.7-72.20000114.2M18C14-M18 WeakPolarHBondContact O-CG 3.42Å
15L52.5Low55.3Low112 Ų112127 Ų12759%0.58668%0.678SS**Hα-helixtrans-78.4-35-178.6-78.2158.7000113M18 L19L15-M18 PolarHBondContact O-N 2.99Å; L15-L19 WeakPolarHBondContact O-CD1 3.45Å; L15-L19 PolarHBondContact O-N 3.49Å
16L52.6Low56.8Low133 Ų133116.7 Ų116.770%0.69665%0.645SS**Hα-helixtrans-63.3-47.6179.9-70.3166.6000114.1L19 S20L16-L19 PolarHBondContact O-N 3.04Å; L16-S20 PolarHBondContact O-N 3.41Å; L16-S20 VanDerWaalsContact O-N 3.15Å
17P57Low58.5Low69 Ų69117 Ų11745%0.44863%0.634SS.*Hα-helixtrans-65.9-38.4176.722.4-31000112A13 L19 S20 M21A13-P17 WeakPolarHBondContact O-CD 3.16Å; P17-L19 PolarHBondContact O-N 3.08Å; P17-S20 PolarHBondContact O-N 3.5Å; P17-M21 WeakPolarHBondContact O-CG 3.46Å; P17-M21 PolarHBondContact O-N 2.94Å
18M58.3Low60.4Low121 Ų121113.1 Ų113.160%0.59661%0.614SS**Hα-helixtrans-63.1-42.2177.4-74.2-69.7-115.100112.8C14 L15 M21 K22C14-M18 WeakPolarHBondContact O-CG 3.42Å; L15-M18 PolarHBondContact O-N 2.99Å; M18-M21 PolarHBondContact O-N 3.27Å; M18-K22 WeakPolarHBondContact O-CG 3.42Å; M18-K22 PolarHBondContact O-N 3.48Å; M18-K22 VanDerWaalsContact O-N 3.08Å
19L59.9Low62.6Low94 Ų94107 Ų10749%0.49259%0.588SS.*Hα-helixtrans-65.2-39.2175.1-104.492.2000112.4L15 L16 P17 K23L15-L19 WeakPolarHBondContact O-CD1 3.45Å; L15-L19 PolarHBondContact O-N 3.49Å; L16-L19 PolarHBondContact O-N 3.04Å; P17-L19 PolarHBondContact O-N 3.08Å; L19-K23 WeakPolarHBondContact O-CG 3.32Å; L19-K23 PolarHBondContact O-N 3.01Å; L19-K23 VanDerWaalsContact O-N 3.11Å
20S59.8Low64.8Low79 Ų79101 Ų10155%0.55256%0.555SS**Hα-helixtrans-64.8-43.5177.7-171.50000111.6L16 P17 K23 K24L16-S20 PolarHBondContact O-N 3.41Å; L16-S20 VanDerWaalsContact O-N 3.15Å; P17-S20 PolarHBondContact O-N 3.5Å; S20-K23 PolarHBondContact O-N 3.34Å; S20-K24 PolarHBondContact O-N 2.84Å
21M61.6Low67Low135 Ų13597.9 Ų97.967%0.66553%0.534SS*.Hα-helixtrans-64.1-42176.6-69.8-172.279.900112.7P17 M18 K24 S25P17-M21 WeakPolarHBondContact O-CG 3.46Å; P17-M21 PolarHBondContact O-N 2.94Å; M18-M21 PolarHBondContact O-N 3.27Å; M21-K24 PolarHBondContact O-N 3.15Å; M21-S25 WeakPolarHBondContact O-CB 3.43Å; M21-S25 PolarHBondContact O-N 3.49Å
22K62.3Low69.3Low159 Ų159101.2 Ų101.269%0.69153%0.533SS*.Hα-helixtrans-62.9-41.6175.6-74.6-176.7178.1-1730112.7M18 S25 A26M18-K22 WeakPolarHBondContact O-CG 3.42Å; M18-K22 PolarHBondContact O-N 3.48Å; M18-K22 VanDerWaalsContact O-N 3.08Å; K22-S25 PolarHBondContact O-N 3.4Å; K22-A26 PolarHBondContact O-N 3.03Å
23K62.1Low71.5Confident151 Ų15198.7 Ų98.766%0.65751%0.509SS*.Hα-helixtrans-65.8-40.9177.2-75.6178.9179.5179.40112.5L19 S20 A26 R27L19-K23 WeakPolarHBondContact O-CG 3.32Å; L19-K23 PolarHBondContact O-N 3.01Å; L19-K23 VanDerWaalsContact O-N 3.11Å; S20-K23 PolarHBondContact O-N 3.34Å; K23-A26 PolarHBondContact O-N 3.17Å; K23-R27 PolarHBondContact O-N 3.44Å
24K64.2Low73.7Confident143 Ų14396.5 Ų96.562%0.62249%0.488SS*.Hα-helixtrans-62.1-44.8174.9-168.3175.4179.1-178.30110.9S20 M21 A26 R27 D28S20-K24 PolarHBondContact O-N 2.84Å; M21-K24 PolarHBondContact O-N 3.15Å; K24-A26 PolarHBondContact O-N 3.24Å; K24-R27 PolarHBondContact O-N 3.44Å; K24-D28 VanDerWaalsContact O-CG 3.23Å; K24-D28 PolarHBondContact O-N 3.05Å
25S79.3Confident75.9Confident54 Ų5491.8 Ų91.838%0.37846%0.456SS..Hα-helixtrans-59.1-43.9175.9-175.70000113.6M21 K22 D28 Q29M21-S25 WeakPolarHBondContact O-CB 3.43Å; M21-S25 PolarHBondContact O-N 3.49Å; K22-S25 PolarHBondContact O-N 3.4Å; S25-D28 PolarHBondContact O-N 3.11Å; S25-Q29 VanDerWaalsContact O-CG 3.28Å; S25-Q29 WeakPolarHBondContact O-CG 3.46Å; S25-Q29 PolarHBondContact O-N 3.38Å; S25-Q29 PolarHBondContact OG-NE2 3.1Å
26A80.8Confident78.1Confident26 Ų2691.1 Ų91.122%0.21545%0.454CS..Hα-helixtrans-68.6-37.9-179.900000112.4K22 K23 K24 Q29 F30K22-A26 PolarHBondContact O-N 3.03Å; K23-A26 PolarHBondContact O-N 3.17Å; K24-A26 PolarHBondContact O-N 3.24Å; A26-Q29 PolarHBondContact O-N 3.04Å; A26-F30 WeakPolarHBondContact O-CB 3.49Å; A26-F30 PolarHBondContact O-N 3.37Å
27R85.4Confident80.2Confident174 Ų17487.8 Ų87.866%0.65744%0.436SS*.Hα-helixtrans-64.5-43.8174.6-176.1176.4-176.5175-0.9111.7K23 K24 Q29 F30 N31K23-R27 PolarHBondContact O-N 3.44Å; K24-R27 PolarHBondContact O-N 3.44Å; R27-Q29 VanDerWaalsContact C-N 3.31Å; R27-Q29 PolarHBondContact O-N 3.37Å; R27-F30 PolarHBondContact O-N 3.45Å; R27-N31 VanDerWaalsContact O-CG 3.23Å; R27-N31 PolarHBondContact O-N 3.01Å; R27-N31 PolarHBondContact O-ND2 3.47Å; R27-N31 PolarHBondContact O-OD1 3.46Å
28D88.8Confident82.2Confident77 Ų7788.8 Ų88.841%0.41244%0.443SS..Hα-helixtrans-66.1-35.6179.1-66.6-19.2000111.7K24 S25 K32K24-D28 VanDerWaalsContact O-CG 3.23Å; K24-D28 PolarHBondContact O-N 3.05Å; S25-D28 PolarHBondContact O-N 3.11Å; D28-K32 WeakPolarHBondContact O-CG 3.43Å
29Q90.4Very high84.1Confident85 Ų8587.8 Ų87.840%0.39744%0.439SS..Hα-helixtrans-65.9-48.5171.7-73.6171.325.100111.4S25 A26 R27 N31 K32 L33 P109S25-Q29 VanDerWaalsContact O-CG 3.28Å; S25-Q29 WeakPolarHBondContact O-CG 3.46Å; S25-Q29 PolarHBondContact O-N 3.38Å; S25-Q29 PolarHBondContact OG-NE2 3.1Å; A26-Q29 PolarHBondContact O-N 3.04Å; R27-Q29 VanDerWaalsContact C-N 3.31Å; R27-Q29 PolarHBondContact O-N 3.37Å; Q29-N31 VanDerWaalsContact C-N 3.33Å; Q29-N31 PolarHBondContact O-N 3.38Å; Q29-K32 WeakPolarHBondContact O-CB 3.44Å; Q29-K32 PolarHBondContact O-N 2.79Å; Q29-K32 VanDerWaalsContact O-N 3.1Å; Q29-L33 WeakPolarHBondContact O-CG 3.28Å; Q29-P109 HydrophobicContact CB-CB 4.29Å; Q29-P109 HydrophobicContact CB-CG 3.71Å
30F94.2Very high86Confident37 Ų3783.4 Ų83.416%0.16242%0.417CS..Hα-helixtrans-56.2-45.5177.4174.7-94.2000112.5A26 R27 K32 L33 V34 P109 I158 Y169A26-F30 WeakPolarHBondContact O-CB 3.49Å; A26-F30 PolarHBondContact O-N 3.37Å; R27-F30 PolarHBondContact O-N 3.45Å; F30-K32 PolarHBondContact O-N 3.24Å; F30-K32 VanDerWaalsContact O-N 3.08Å; F30-L33 WeakPolarHBondContact O-CB 3.39Å; F30-L33 PolarHBondContact O-N 3.18Å; F30-V34 HydrophobicContact CD1-CG1 4.21Å; F30-V34 HydrophobicContact CE1-CG1 3.65Å; F30-V34 HydrophobicContact CZ-CG1 3.93Å; F30-V34 PolarHBondContact O-N 2.97Å; F30-P109 HydrophobicContact CB-CB 4.36Å; F30-I158 HydrophobicContact CD2-CD1 3.77Å; F30-I158 HydrophobicContact CD2-CG1 4.41Å; F30-I158 HydrophobicContact CE2-CB 4.47Å; F30-I158 HydrophobicContact CE2-CD1 3.8Å; F30-I158 HydrophobicContact CE2-CG1 3.93Å; F30-I158 HydrophobicContact CE2-CG2 3.97Å; F30-I158 HydrophobicContact CZ-CG2 4.37Å; F30-Y169 HydrophobicContact CB-CE1 4.21Å; F30-Y169 AromaticContact CD2-CD1 3.63Å; F30-Y169 HydrophobicContact CD2-CD1 3.63Å; F30-Y169 AromaticContact CD2-CE1 3.62Å; F30-Y169 HydrophobicContact CD2-CE1 3.62Å; F30-Y169 HydrophobicContact CE2-CD1 4.15Å; F30-Y169 HydrophobicContact CE2-CE1 4.38Å; F30-Y169 HydrophobicContact CG-CE1 4.19Å
31N95.3Very high87.8Confident75 Ų7581.2 Ų81.240%0.40140%0.398SS..THydrogen-bonded Turntrans-62.8-17.6-179.7-70.8-12.9000113.7R27 Q29 L33 L37R27-N31 VanDerWaalsContact O-CG 3.23Å; R27-N31 PolarHBondContact O-N 3.01Å; R27-N31 PolarHBondContact O-ND2 3.47Å; R27-N31 PolarHBondContact O-OD1 3.46Å; Q29-N31 VanDerWaalsContact C-N 3.33Å; Q29-N31 PolarHBondContact O-N 3.38Å; N31-L33 VanDerWaalsContact C-N 3.35Å; N31-L37 WeakPolarHBondContact O-CD1 3.42Å
32K96.3Very high89.6Confident154 Ų15480.6 Ų80.667%0.6739%0.393SS*.THydrogen-bonded Turntrans-86.2-8.7174.5-67.3175.2-178.2-1750113.2D28 Q29 F30 V40D28-K32 WeakPolarHBondContact O-CG 3.43Å; Q29-K32 WeakPolarHBondContact O-CB 3.44Å; Q29-K32 PolarHBondContact O-N 2.79Å; Q29-K32 VanDerWaalsContact O-N 3.1Å; F30-K32 PolarHBondContact O-N 3.24Å; F30-K32 VanDerWaalsContact O-N 3.08Å; K32-V40 VanDerWaalsContact O-CG2 3.28Å; K32-V40 WeakPolarHBondContact O-CG2 3.49Å
33L97.8Very high91.3Very high16 Ų1676 Ų768%0.08437%0.374CS..THydrogen-bonded Turntrans-108.6-10.8-174.4-58.4171000112.9Q29 F30 N31 T35 P109 V110 W112 I158Q29-L33 WeakPolarHBondContact O-CG 3.28Å; F30-L33 WeakPolarHBondContact O-CB 3.39Å; F30-L33 PolarHBondContact O-N 3.18Å; N31-L33 VanDerWaalsContact C-N 3.35Å; L33-T35 PolarHBondContact O-N 2.99Å; L33-P109 HydrophobicContact CD1-CB 3.65Å; L33-V110 WeakPolarHBondContact CD1-O 3.31Å; L33-V110 WeakPolarHBondContact CD2-O 3.42Å; L33-W112 PolarHBondContact O-NE1 3.34Å; L33-I158 HydrophobicContact CB-CD1 4.12Å; L33-I158 HydrophobicContact CB-CG2 4.37Å; L33-I158 HydrophobicContact CD1-CD1 4.09Å; L33-I158 WeakPolarHBondContact O-CG2 3.21Å
34V97.9Very high93.1Very high30 Ų3068.9 Ų68.918%0.18234%0.343CS..  trans-62.8136.2178.1-62.30000110F30 D36 L37 I158F30-V34 HydrophobicContact CD1-CG1 4.21Å; F30-V34 HydrophobicContact CE1-CG1 3.65Å; F30-V34 HydrophobicContact CZ-CG1 3.93Å; F30-V34 PolarHBondContact O-N 2.97Å; V34-D36 VanDerWaalsContact C-N 3.26Å; V34-D36 PolarHBondContact O-N 3.18Å; V34-L37 HydrophobicContact CG2-CD1 3.94Å; V34-L37 HydrophobicContact CG2-CG 3.98Å; V34-L37 PolarHBondContact O-N 2.99Å; V34-I158 HydrophobicContact CG1-CG2 4.36Å
35T98.3Very high94.7Very high3 Ų362.9 Ų62.92%0.01832%0.319CS..THydrogen-bonded Turntrans-86.24-170.948.80000113.3L33 L37 V40 Q41 I44 W67 W112 C156L33-T35 PolarHBondContact O-N 2.99Å; T35-L37 PolarHBondContact O-N 2.88Å; T35-V40 HydrophobicContact CG2-CG1 4.14Å; T35-Q41 WeakPolarHBondContact O-CG 3.06Å; T35-Q41 PolarHBondContact O-NE2 3.14Å; T35-I44 HydrophobicContact CG2-CD1 3.88Å; T35-W67 HydrophobicContact CG2-CH2 4Å; T35-W112 HydrophobicContact CG2-CZ2 3.63Å; T35-C156 VanDerWaalsContact CB-O 3.25Å; T35-C156 WeakPolarHBondContact CB-O 3.49Å; T35-C156 HydrophobicContact CG2-CB 4.32Å; T35-C156 WeakPolarHBondContact CG2-O 3.13Å; T35-C156 PolarHBondContact OG1-O 3.34Å
36D97Very high95.7Very high99 Ų9964.2 Ų64.253%0.52932%0.321SS..THydrogen-bonded Turntrans-70.7-12.7165.5-52.1-57.5000112.2V34 P38 R76V34-D36 VanDerWaalsContact C-N 3.26Å; V34-D36 PolarHBondContact O-N 3.18Å; D36-P38 WeakPolarHBondContact O-CD 3.44Å; D36-R76 IonicContact OD1-CZ 2.68Å; D36-R76 IonicContact OD1-NE 3.9Å; D36-R76 PolarHBondContact OD1-NE 2.03Å; D36-R76 IonicContact OD1-NH2 2.72Å; D36-R76 PolarHBondContact OD1-NH2 2.86Å
37L98.2Very high96.5Very high62 Ų6265 Ų6533%0.32532%0.321SS..SBendtrans-88.5119.1178.6-63.6176.1000110.3N31 V34 T35 N39 V40 Q41N31-L37 WeakPolarHBondContact O-CD1 3.42Å; V34-L37 HydrophobicContact CG2-CD1 3.94Å; V34-L37 HydrophobicContact CG2-CG 3.98Å; V34-L37 PolarHBondContact O-N 2.99Å; T35-L37 PolarHBondContact O-N 2.88Å; L37-N39 VanDerWaalsContact C-N 3.26Å; L37-N39 WeakPolarHBondContact CB-OD1 3.3Å; L37-N39 PolarHBondContact O-N 2.71Å; L37-V40 HydrophobicContact CB-CB 4.26Å; L37-V40 HydrophobicContact CB-CG2 3.82Å; L37-V40 HydrophobicContact CD1-CG2 4.19Å; L37-V40 WeakPolarHBondContact O-CB 3.43Å; L37-V40 PolarHBondContact O-N 3.18Å; L37-Q41 PolarHBondContact O-N 3.36Å
38P98.3Very high97.2Very high91 Ų9156.7 Ų56.759%0.59129%0.29SS*.Hα-helixtrans-56.9-35.5-177.2-28.535.7000114.5D36 V40 Q41 E42D36-P38 WeakPolarHBondContact O-CD 3.44Å; P38-V40 PolarHBondContact O-N 2.98Å; P38-Q41 WeakPolarHBondContact O-CB 3.19Å; P38-Q41 PolarHBondContact O-N 2.93Å; P38-E42 WeakPolarHBondContact O-CB 3.02Å; P38-E42 PolarHBondContact O-N 3.3Å
39N98.4Very high97.7Very high99 Ų9953.1 Ų53.153%0.52927%0.271SS..Hα-helixtrans-66.9-26.7178.266.7-71.4000112.8L37 E43L37-N39 VanDerWaalsContact C-N 3.26Å; L37-N39 WeakPolarHBondContact CB-OD1 3.3Å; L37-N39 PolarHBondContact O-N 2.71Å; N39-E43 WeakPolarHBondContact O-CB 3.43Å; N39-E43 PolarHBondContact O-N 3Å
40V98.8Very high98.1Very high2 Ų250.4 Ų50.41%0.01226%0.264CS..Hα-helixtrans-77.3-42.1175.4178.80000110K32 T35 L37 P38 E42 E43 I44 W112K32-V40 VanDerWaalsContact O-CG2 3.28Å; K32-V40 WeakPolarHBondContact O-CG2 3.49Å; T35-V40 HydrophobicContact CG2-CG1 4.14Å; L37-V40 HydrophobicContact CB-CB 4.26Å; L37-V40 HydrophobicContact CB-CG2 3.82Å; L37-V40 HydrophobicContact CD1-CG2 4.19Å; L37-V40 WeakPolarHBondContact O-CB 3.43Å; L37-V40 PolarHBondContact O-N 3.18Å; P38-V40 PolarHBondContact O-N 2.98Å; V40-E42 VanDerWaalsContact C-N 3.3Å; V40-E42 PolarHBondContact O-N 3.36Å; V40-E43 WeakPolarHBondContact O-CB 3.32Å; V40-E43 PolarHBondContact O-N 3.08Å; V40-I44 HydrophobicContact CG1-CD1 4.15Å; V40-I44 VanDerWaalsContact O-CG1 3.31Å; V40-I44 WeakPolarHBondContact O-CG1 3.43Å; V40-I44 PolarHBondContact O-N 3.37Å; V40-W112 HydrophobicContact CG1-CG 4.42Å
41Q98.9Very high98.3Very high34 Ų3449.8 Ų49.816%0.15926%0.262CS..Hα-helixtrans-57.1-46.8173.1-56.6177.4-9.200110.6T35 L37 P38 I44 V45 W67T35-Q41 WeakPolarHBondContact O-CG 3.06Å; T35-Q41 PolarHBondContact O-NE2 3.14Å; L37-Q41 PolarHBondContact O-N 3.36Å; P38-Q41 WeakPolarHBondContact O-CB 3.19Å; P38-Q41 PolarHBondContact O-N 2.93Å; Q41-I44 PolarHBondContact O-N 3.29Å; Q41-V45 WeakPolarHBondContact O-CG2 3.28Å; Q41-V45 PolarHBondContact O-N 3.25Å; Q41-W67 HydrophobicContact CB-CD2 3.71Å; Q41-W67 HydrophobicContact CB-CE3 3.88Å; Q41-W67 HydrophobicContact CB-CG 4.07Å; Q41-W67 HydrophobicContact CB-CH2 4.44Å; Q41-W67 HydrophobicContact CB-CZ2 4.31Å; Q41-W67 HydrophobicContact CB-CZ3 4.25Å; Q41-W67 HydrophobicContact CG-CD2 3.86Å; Q41-W67 HydrophobicContact CG-CE3 4.27Å; Q41-W67 HydrophobicContact CG-CG 4.38Å; Q41-W67 HydrophobicContact CG-CH2 4.05Å; Q41-W67 HydrophobicContact CG-CZ2 3.63Å; Q41-W67 HydrophobicContact CG-CZ3 4.36Å
42E98.8Very high98.5Very high121 Ų12146.3 Ų46.357%0.56524%0.243SC*.Hα-helixtrans-63-43.6177.3-172.8-176.6-179.700112.2P38 V40 I44 V45 N46P38-E42 WeakPolarHBondContact O-CB 3.02Å; P38-E42 PolarHBondContact O-N 3.3Å; V40-E42 VanDerWaalsContact C-N 3.3Å; V40-E42 PolarHBondContact O-N 3.36Å; E42-I44 VanDerWaalsContact C-N 3.35Å; E42-I44 PolarHBondContact O-N 3.19Å; E42-V45 PolarHBondContact O-N 2.95Å; E42-N46 WeakPolarHBondContact CG-ND2 3.37Å; E42-N46 WeakPolarHBondContact O-CB 3.19Å; E42-N46 PolarHBondContact O-N 3.13Å; E42-N46 PolarHBondContact O-ND2 3.46Å
43E98.8Very high98.6Very high64 Ų6441.4 Ų41.430%0.29922%0.22SC..Hα-helixtrans-54.4-51.6174.2179.2-170.4164.600110.8N39 V40 V45 N46 I47 S113N39-E43 WeakPolarHBondContact O-CB 3.43Å; N39-E43 PolarHBondContact O-N 3Å; V40-E43 WeakPolarHBondContact O-CB 3.32Å; V40-E43 PolarHBondContact O-N 3.08Å; E43-V45 PolarHBondContact O-N 3.09Å; E43-N46 PolarHBondContact O-N 2.97Å; E43-I47 HydrophobicContact CG-CD1 3.71Å; E43-I47 HydrophobicContact CG-CG1 4.49Å; E43-I47 VanDerWaalsContact O-CG1 3.24Å; E43-I47 WeakPolarHBondContact O-CG1 3.34Å; E43-I47 PolarHBondContact O-N 2.65Å; E43-S113 PolarHBondContact OE1-N 3.48Å
44I98.9Very high98.6Very high0 Ų048.2 Ų48.20%025%0.245CC..Hα-helixtrans-58.5-52.7-178.5-67.6164.8000110.2T35 V40 Q41 E42 N46 I47 H48 W67 W112 I116 I154 C156T35-I44 HydrophobicContact CG2-CD1 3.88Å; V40-I44 HydrophobicContact CG1-CD1 4.15Å; V40-I44 VanDerWaalsContact O-CG1 3.31Å; V40-I44 WeakPolarHBondContact O-CG1 3.43Å; V40-I44 PolarHBondContact O-N 3.37Å; Q41-I44 PolarHBondContact O-N 3.29Å; E42-I44 VanDerWaalsContact C-N 3.35Å; E42-I44 PolarHBondContact O-N 3.19Å; I44-N46 VanDerWaalsContact C-N 3.34Å; I44-N46 PolarHBondContact O-N 3.09Å; I44-I47 PolarHBondContact O-N 2.82Å; I44-H48 PolarHBondContact O-N 2.9Å; I44-H48 VanDerWaalsContact O-N 3.1Å; I44-H48 PolarHBondContact O-ND1 3.48Å; I44-W67 HydrophobicContact CB-CZ3 4.42Å; I44-W67 HydrophobicContact CD1-CH2 4.27Å; I44-W67 HydrophobicContact CD1-CZ3 3.92Å; I44-W67 HydrophobicContact CG2-CZ3 4.31Å; I44-W112 HydrophobicContact CD1-CD2 3.57Å; I44-W112 HydrophobicContact CD1-CE3 4.03Å; I44-W112 HydrophobicContact CD1-CG 3.8Å; I44-W112 HydrophobicContact CD1-CZ2 4.19Å; I44-W112 HydrophobicContact CG1-CB 3.87Å; I44-W112 HydrophobicContact CG1-CD2 3.82Å; I44-W112 HydrophobicContact CG1-CE3 4.17Å; I44-W112 HydrophobicContact CG1-CG 3.69Å; I44-I116 HydrophobicContact CG2-CD1 4.32Å; I44-I154 HydrophobicContact CG2-CD1 3.96Å; I44-C156 HydrophobicContact CD1-CB 4.07Å
45V98.9Very high98.6Very high18 Ų1847.2 Ų47.211%0.10924%0.239CC..Hα-helixtrans-60.9-44-179.1170.40000111.2Q41 E42 E43 I47 H48 N49 M65 W67 I154Q41-V45 WeakPolarHBondContact O-CG2 3.28Å; Q41-V45 PolarHBondContact O-N 3.25Å; E42-V45 PolarHBondContact O-N 2.95Å; E43-V45 PolarHBondContact O-N 3.09Å; V45-I47 PolarHBondContact O-N 3.01Å; V45-H48 PolarHBondContact O-N 3.1Å; V45-N49 WeakPolarHBondContact CG1-ND2 3.46Å; V45-N49 WeakPolarHBondContact O-CB 3.43Å; V45-N49 PolarHBondContact O-N 2.88Å; V45-N49 PolarHBondContact O-ND2 3.05Å; V45-M65 WeakPolarHBondContact CG1-O 3.49Å; V45-W67 HydrophobicContact CG2-CB 4.02Å; V45-W67 HydrophobicContact CG2-CE3 4.23Å; V45-I154 HydrophobicContact CG2-CG2 3.82Å
46N98.9Very high98.6Very high81 Ų8152.8 Ų52.843%0.43327%0.273SS..Hα-helixtrans-64.7-40.7-178.7-77.3-18.9000112.1E42 E43 I44 A50E42-N46 WeakPolarHBondContact CG-ND2 3.37Å; E42-N46 WeakPolarHBondContact O-CB 3.19Å; E42-N46 PolarHBondContact O-N 3.13Å; E42-N46 PolarHBondContact O-ND2 3.46Å; E43-N46 PolarHBondContact O-N 2.97Å; I44-N46 VanDerWaalsContact C-N 3.34Å; I44-N46 PolarHBondContact O-N 3.09Å; N46-A50 VanDerWaalsContact O-CB 3.26Å; N46-A50 WeakPolarHBondContact O-CB 3.43Å; N46-A50 PolarHBondContact O-N 3.08Å
47I98.9Very high98.6Very high42 Ų4250.2 Ų50.222%0.21526%0.261CS..Hα-helixtrans-64-48.7176.8-67.5170.2000110.3E43 I44 V45 N49 A50 L51 I116E43-I47 HydrophobicContact CG-CD1 3.71Å; E43-I47 HydrophobicContact CG-CG1 4.49Å; E43-I47 VanDerWaalsContact O-CG1 3.24Å; E43-I47 WeakPolarHBondContact O-CG1 3.34Å; E43-I47 PolarHBondContact O-N 2.65Å; I44-I47 PolarHBondContact O-N 2.82Å; V45-I47 PolarHBondContact O-N 3.01Å; I47-N49 PolarHBondContact O-N 2.71Å; I47-A50 PolarHBondContact O-N 3.04Å; I47-L51 HydrophobicContact CG2-CD1 4Å; I47-L51 HydrophobicContact CG2-CG 4.48Å; I47-L51 VanDerWaalsContact O-CG 3.32Å; I47-L51 WeakPolarHBondContact O-CG 3.38Å; I47-L51 PolarHBondContact O-N 3.42Å; I47-I116 HydrophobicContact CB-CD1 4.23Å; I47-I116 HydrophobicContact CD1-CD1 4.38Å; I47-I116 HydrophobicContact CG2-CB 4.21Å; I47-I116 HydrophobicContact CG2-CD1 4.07Å; I47-I116 HydrophobicContact CG2-CG2 3.72Å
48H98.9Very high98.7Very high0 Ų050.4 Ų50.40%027%0.266CS..Hα-helixtrans-57.8-50178.1-75.782.8000111.4I44 V45 A50 L51 R52 M65 I116 I154 Y175I44-H48 PolarHBondContact O-N 2.9Å; I44-H48 VanDerWaalsContact O-N 3.1Å; I44-H48 PolarHBondContact O-ND1 3.48Å; V45-H48 PolarHBondContact O-N 3.1Å; H48-A50 VanDerWaalsContact C-N 3.31Å; H48-A50 PolarHBondContact O-N 3.04Å; H48-L51 PolarHBondContact O-N 3.3Å; H48-L51 VanDerWaalsContact O-N 3.11Å; H48-R52 WeakPolarHBondContact O-CB 3.5Å; H48-R52 VanDerWaalsContact O-CG 3.22Å; H48-R52 WeakPolarHBondContact O-CG 3.26Å; H48-R52 PolarHBondContact O-N 2.83Å; H48-M65 HydrophobicContact CB-SD 3.69Å; H48-I116 VanDerWaalsContact CE1-CD1 3.43Å; H48-I116 WeakPolarHBondContact CE1-CD1 3.22Å; H48-I154 WeakPolarHBondContact CE1-CD1 3.14Å; H48-Y175 AromaticContact CD2-CE1 3.87Å; H48-Y175 AromaticContact NE2-CE1 3.61Å; H48-Y175 AromaticContact NE2-CZ 3.95Å; H48-Y175 PolarHBondContact NE2-OH 2.6Å
49N98.9Very high98.7Very high2 Ų246.3 Ų46.31%0.01124%0.24CC..Hα-helixtrans-61.8-38.2178.1-76.7-35.2000112.3V45 I47 L51 R52 R53 M65 L206V45-N49 WeakPolarHBondContact CG1-ND2 3.46Å; V45-N49 WeakPolarHBondContact O-CB 3.43Å; V45-N49 PolarHBondContact O-N 2.88Å; V45-N49 PolarHBondContact O-ND2 3.05Å; I47-N49 PolarHBondContact O-N 2.71Å; N49-L51 VanDerWaalsContact C-N 3.32Å; N49-L51 PolarHBondContact O-N 3.02Å; N49-R52 PolarHBondContact O-N 2.93Å; N49-R53 VanDerWaalsContact O-CG 3.23Å; N49-R53 WeakPolarHBondContact O-CG 3.24Å; N49-R53 PolarHBondContact O-N 3.2Å; N49-R53 VanDerWaalsContact O-N 3.1Å; N49-M65 PolarHBondContact ND2-O 3.42Å; N49-M65 PolarHBondContact OD1-N 2.89Å; N49-L206 HydrophobicContact CB-CD1 3.81Å; N49-L206 WeakPolarHBondContact OD1-CD1 3.37Å
50A98.9Very high98.7Very high29 Ų2942.1 Ų42.124%0.2422%0.219CC..Hα-helixtrans-65.3-33.7175.400000113N46 I47 H48 R54N46-A50 VanDerWaalsContact O-CB 3.26Å; N46-A50 WeakPolarHBondContact O-CB 3.43Å; N46-A50 PolarHBondContact O-N 3.08Å; I47-A50 PolarHBondContact O-N 3.04Å; H48-A50 VanDerWaalsContact C-N 3.31Å; H48-A50 PolarHBondContact O-N 3.04Å; A50-R54 PolarHBondContact O-NE 3.37Å; A50-R54 PolarHBondContact O-NH2 2.98Å
51L98.9Very high98.7Very high23 Ų2342.5 Ų42.512%0.1222%0.22CC..Hα-helixtrans-72.4-46.4174.8-65.7170.6000111I47 H48 N49 R53 R54 I116 Y120 I146I47-L51 HydrophobicContact CG2-CD1 4Å; I47-L51 HydrophobicContact CG2-CG 4.48Å; I47-L51 VanDerWaalsContact O-CG 3.32Å; I47-L51 WeakPolarHBondContact O-CG 3.38Å; I47-L51 PolarHBondContact O-N 3.42Å; H48-L51 PolarHBondContact O-N 3.3Å; H48-L51 VanDerWaalsContact O-N 3.11Å; N49-L51 VanDerWaalsContact C-N 3.32Å; N49-L51 PolarHBondContact O-N 3.02Å; L51-R53 VanDerWaalsContact C-N 3.28Å; L51-R53 PolarHBondContact O-N 2.9Å; L51-R54 PolarHBondContact O-N 3.45Å; L51-I116 HydrophobicContact CD1-CG2 3.73Å; L51-Y120 HydrophobicContact CB-CD2 4.12Å; L51-Y120 HydrophobicContact CB-CE2 3.85Å; L51-Y120 HydrophobicContact CD1-CD2 3.76Å; L51-Y120 HydrophobicContact CD1-CE2 4.33Å; L51-Y120 HydrophobicContact CD1-CG 3.97Å; L51-Y120 HydrophobicContact CD2-CD1 3.94Å; L51-Y120 HydrophobicContact CD2-CD2 3.95Å; L51-Y120 HydrophobicContact CD2-CE1 3.88Å; L51-Y120 HydrophobicContact CD2-CE2 3.89Å; L51-Y120 HydrophobicContact CD2-CG 3.96Å; L51-Y120 HydrophobicContact CG-CD2 4.15Å; L51-Y120 HydrophobicContact CG-CE2 4.22Å; L51-Y120 HydrophobicContact CG-CG 4.48Å; L51-I146 HydrophobicContact CB-CG2 4.37Å; L51-I146 HydrophobicContact CD1-CG2 4.19Å
52R98.9Very high98.7Very high2 Ų241 Ų411%0.00821%0.213CC..Hα-helixtrans-57.9-35.7178.8-70.7169.873.879.2-4.7113.3H48 N49 R54 M62 L63 I146 W148 A149 S151 L206H48-R52 WeakPolarHBondContact O-CB 3.5Å; H48-R52 VanDerWaalsContact O-CG 3.22Å; H48-R52 WeakPolarHBondContact O-CG 3.26Å; H48-R52 PolarHBondContact O-N 2.83Å; N49-R52 PolarHBondContact O-N 2.93Å; R52-R54 PolarHBondContact O-N 3.47Å; R52-M62 HydrophobicContact CB-CG 3.82Å; R52-M62 HydrophobicContact CB-SD 3.99Å; R52-M62 HydrophobicContact CG-CG 4.43Å; R52-M62 HydrophobicContact CG-SD 4.01Å; R52-M62 PolarHBondContact NH2-SD 2.96Å; R52-L63 VanDerWaalsContact CZ-O 3.25Å; R52-L63 PolarHBondContact NE-O 3.5Å; R52-L63 PolarHBondContact NH2-O 2.9Å; R52-I146 WeakPolarHBondContact CG-O 3.32Å; R52-I146 PolarHBondContact NH1-O 3.45Å; R52-W148 VanDerWaalsContact CZ-O 3.3Å; R52-W148 PolarHBondContact NH1-O 3.11Å; R52-W148 PolarHBondContact NH2-O 2.98Å; R52-A149 PolarHBondContact NH2-O 2.85Å; R52-S151 PolarHBondContact NH2-O 3.36Å; R52-L206 HydrophobicContact CB-CD2 3.88Å
53R98.8Very high98.7Very high51 Ų5135.3 Ų35.319%0.19219%0.187CC..THydrogen-bonded Turntrans-67.2-19175.7-73.7175.9-176.1120.4-8.7115.3N49 L51 D204 K205 L206N49-R53 VanDerWaalsContact O-CG 3.23Å; N49-R53 WeakPolarHBondContact O-CG 3.24Å; N49-R53 PolarHBondContact O-N 3.2Å; N49-R53 VanDerWaalsContact O-N 3.1Å; L51-R53 VanDerWaalsContact C-N 3.28Å; L51-R53 PolarHBondContact O-N 2.9Å; R53-D204 WeakPolarHBondContact CD-O 3.42Å; R53-D204 WeakPolarHBondContact CD-OD2 3.41Å; R53-D204 WeakPolarHBondContact CG-O 3.45Å; R53-D204 IonicContact CZ-OD2 2.92Å; R53-D204 PolarHBondContact NE-O 2.89Å; R53-D204 IonicContact NE-OD2 3.91Å; R53-D204 PolarHBondContact NE-OD2 3.39Å; R53-D204 IonicContact NH2-OD2 2.76Å; R53-K205 HydrophobicContact CG-CB 4.38Å; R53-L206 HydrophobicContact CG-CD1 3.83Å; R53-L206 HydrophobicContact CG-CD2 3.88Å; R53-L206 HydrophobicContact CG-CG 3.63Å
54R98.3Very high98.7Very high160 Ų16035 Ų3560%0.60419%0.185SC*.THydrogen-bonded Turntrans-116.112-168.3-69-175.7-73.7-174.2-0.1113A50 L51 R52A50-R54 PolarHBondContact O-NE 3.37Å; A50-R54 PolarHBondContact O-NH2 2.98Å; L51-R54 PolarHBondContact O-N 3.45Å; R52-R54 PolarHBondContact O-N 3.47Å
55V98.6Very high98.7Very high8 Ų835.1 Ų35.15%0.04819%0.185CC..  trans-58.5145.7176.2-62.40000111.2P57 A59 M62 V147 Y189V55-P57 CarbonylContact C-O 3.52Å; V55-P57 CarbonylContact O-C 3.43Å; V55-A59 HydrophobicContact CG2-CB 3.8Å; V55-M62 HydrophobicContact CG1-CE 4.1Å; V55-M62 HydrophobicContact CG2-CE 4Å; V55-V147 HydrophobicContact CG1-CB 3.9Å; V55-V147 HydrophobicContact CG1-CG1 3.56Å; V55-Y189 HydrophobicContact CB-CE1 3.89Å; V55-Y189 HydrophobicContact CG1-CE1 4.07Å; V55-Y189 HydrophobicContact CG2-CE1 4.04Å; V55-Y189 HydrophobicContact CG2-CE2 4.1Å
56V97.3Very high98.7Very high121 Ų12137 Ų3773%0.73320%0.199SC*.SBendtrans-128.3124.4175.9179.80000107.3Y189V56-Y189 PolarHBondContact O-OH 3.35Å
57P98.3Very high98.7Very high44 Ų4435.4 Ų35.429%0.28619%0.187SC..SBendcis-61.9160-4.928.4-35.9000113.5V55 H128 Y189 T191V55-P57 CarbonylContact C-O 3.52Å; V55-P57 CarbonylContact O-C 3.43Å; P57-H128 VanDerWaalsContact CD-CB 3.5Å; P57-H128 HydrophobicContact CG-CB 3.93Å; P57-Y189 HydrophobicContact CG-CE2 4.35Å; P57-Y189 WeakPolarHBondContact O-CE2 3.5Å; P57-Y189 PolarHBondContact O-OH 3.49Å; P57-Y189 VanDerWaalsContact O-OH 3.1Å; P57-T191 HydrophobicContact CB-CG2 4.16Å; P57-T191 HydrophobicContact CG-CG2 3.47Å; P57-T191 VanDerWaalsContact CG-CG2 3.47Å
58P98.8Very high98.7Very high66 Ų6634 Ų3443%0.42918%0.181SC..PPolyproline II helixtrans-62.5145.2178.1-20.632.8000112.2T191 G192 P194P58-T191 WeakPolarHBondContact O-CA 3.28Å; P58-G192 CarbonylContact C-O 3.53Å; P58-G192 PolarHBondContact O-N 2.89Å; P58-P194 HydrophobicContact CB-CG 4.14Å
59A98.9Very high98.7Very high6 Ų638.2 Ų38.25%0.0520%0.201CC..BIsolated β-bridgetrans-99.2134.2-177.800000112V55 M62 Y189 K190 P194V55-A59 HydrophobicContact CG2-CB 3.8Å; A59-M62 HydrophobicContact CB-CB 3.78Å; A59-M62 HydrophobicContact CB-CE 3.75Å; A59-Y189 HydrophobicContact CB-CD2 3.4Å; A59-Y189 HydrophobicContact CB-CE2 4.02Å; A59-Y189 HydrophobicContact CB-CG 3.72Å; A59-K190 CarbonylContact C-O 3.35Å; A59-K190 VanDerWaalsContact CA-O 3.27Å; A59-K190 WeakPolarHBondContact CA-O 3.47Å; A59-P194 WeakPolarHBondContact O-CA 3.39Å
60S98.8Very high98.6Very high11 Ų1143.3 Ų43.38%0.07722%0.224CC..SBendtrans-85.5-23.1177.2550000114.2K190 T191 V193 C195 E196 A197S60-K190 PolarHBondContact N-O 3.37Å; S60-K190 PolarHBondContact OG-O 2.91Å; S60-T191 PolarHBondContact OG-O 3.08Å; S60-V193 VanDerWaalsContact CA-O 3.31Å; S60-V193 WeakPolarHBondContact CA-O 3.47Å; S60-C195 CarbonylContact O-C 3.58Å; S60-C195 WeakPolarHBondContact O-CA 3.07Å; S60-C195 PolarHBondContact O-N 3.48Å; S60-E196 PolarHBondContact O-N 3.23Å; S60-A197 WeakPolarHBondContact O-CB 3.49Å; S60-A197 PolarHBondContact O-N 3.31Å; S60-A197 VanDerWaalsContact O-N 3.15Å
61N98.8Very high98.6Very high9 Ų942 Ų425%0.04821%0.213CC..SBendtrans-123.315.7-17173.4-32.9000114.6L63 K190 A197 I248N61-L63 PolarHBondContact O-N 3.49Å; N61-K190 PolarHBondContact OD1-N 3.44Å; N61-A197 HydrophobicContact CB-CB 3.8Å; N61-I248 HydrophobicContact CB-CD1 4.16Å; N61-I248 HydrophobicContact CB-CG2 4.27Å
62M98.9Very high98.6Very high2 Ų240.9 Ų40.91%0.0121%0.207CC..  trans-67.1113.1-174.3-174.169.765.200111.9R52 V55 A59 V147 Y189 L206 C207R52-M62 HydrophobicContact CB-CG 3.82Å; R52-M62 HydrophobicContact CB-SD 3.99Å; R52-M62 HydrophobicContact CG-CG 4.43Å; R52-M62 HydrophobicContact CG-SD 4.01Å; R52-M62 PolarHBondContact NH2-SD 2.96Å; V55-M62 HydrophobicContact CG1-CE 4.1Å; V55-M62 HydrophobicContact CG2-CE 4Å; A59-M62 HydrophobicContact CB-CB 3.78Å; A59-M62 HydrophobicContact CB-CE 3.75Å; M62-V147 HydrophobicContact CE-CB 4.35Å; M62-V147 VanDerWaalsContact CE-O 3.28Å; M62-V147 WeakPolarHBondContact CE-O 3.43Å; M62-Y189 HydrophobicContact CE-CD1 3.49Å; M62-Y189 VanDerWaalsContact CE-CD1 3.49Å; M62-Y189 HydrophobicContact CE-CE1 4.22Å; M62-Y189 HydrophobicContact CE-CG 3.71Å; M62-L206 HydrophobicContact CB-CD2 4.08Å; M62-L206 HydrophobicContact CG-CD2 3.5Å; M62-L206 CarbonylContact O-C 3.59Å; M62-L206 VanDerWaalsContact O-CA 3.32Å; M62-L206 WeakPolarHBondContact O-CA 3.47Å; M62-C207 PolarHBondContact O-N 3.38Å
63L98.9Very high98.6Very high2 Ų244.7 Ų44.71%0.0123%0.225CC..BIsolated β-bridgetrans-72148.2177.3-71.9165.2000112.7R52 N61 A149 Y152 C207 P210 I248R52-L63 VanDerWaalsContact CZ-O 3.25Å; R52-L63 PolarHBondContact NE-O 3.5Å; R52-L63 PolarHBondContact NH2-O 2.9Å; N61-L63 PolarHBondContact O-N 3.49Å; L63-A149 WeakPolarHBondContact CB-O 3.28Å; L63-A149 WeakPolarHBondContact CG-O 3.29Å; L63-A149 PolarHBondContact N-O 2.74Å; L63-Y152 HydrophobicContact CD1-CD1 4.32Å; L63-Y152 HydrophobicContact CD1-CG 4.4Å; L63-C207 CarbonylContact C-O 3.3Å; L63-C207 WeakPolarHBondContact CA-O 3.4Å; L63-C207 HydrophobicContact CD2-CB 3.81Å; L63-C207 HydrophobicContact CG-CB 4.5Å; L63-P210 HydrophobicContact CD1-CB 3.92Å; L63-P210 HydrophobicContact CD2-CB 4.01Å; L63-I248 HydrophobicContact CD1-CB 4.03Å; L63-I248 HydrophobicContact CD1-CG2 4.02Å; L63-I248 HydrophobicContact CD2-CB 3.89Å; L63-I248 HydrophobicContact CD2-CG1 3.98Å; L63-I248 HydrophobicContact CD2-CG2 4.49Å; L63-I248 HydrophobicContact CG-CB 3.96Å; L63-I248 HydrophobicContact CG-CG1 4.36Å; L63-I248 HydrophobicContact CG-CG2 4.02Å
64K98.9Very high98.6Very high59 Ų5943.9 Ų43.926%0.25723%0.225SC..PPolyproline II helixtrans-72.1126167-177.3174.9169.3177.60109.6E203 L206 C207 T208K64-E203 IonicContact NZ-OE1 3.89Å; K64-E203 PolarHBondContact NZ-OE1 3.07Å; K64-E203 IonicContact NZ-OE2 3.46Å; K64-E203 PolarHBondContact NZ-OE2 2.91Å; K64-L206 HydrophobicContact CB-CB 3.8Å; K64-L206 HydrophobicContact CB-CD1 4.1Å; K64-L206 HydrophobicContact CG-CD1 4.16Å; K64-C207 PolarHBondContact N-O 3.17Å; K64-T208 HydrophobicContact CB-CG2 4.39Å; K64-T208 HydrophobicContact CD-CG2 4.27Å
65M98.8Very high98.6Very high1 Ų136.2 Ų36.21%0.00520%0.196CC..PPolyproline II helixtrans-76.5144.8173.5-78.5-179.8170.600111.8V45 H48 N49 S151 Y152 Y175V45-M65 WeakPolarHBondContact CG1-O 3.49Å; H48-M65 HydrophobicContact CB-SD 3.69Å; N49-M65 PolarHBondContact ND2-O 3.42Å; N49-M65 PolarHBondContact OD1-N 2.89Å; M65-S151 WeakPolarHBondContact CE-O 3.24Å; M65-S151 VanDerWaalsContact CG-O 3.28Å; M65-S151 WeakPolarHBondContact CG-O 3.12Å; M65-Y152 CarbonylContact C-O 3.46Å; M65-Y152 WeakPolarHBondContact CA-O 3.28Å; M65-Y175 HydrophobicContact CE-CD1 3.71Å; M65-Y175 HydrophobicContact CE-CE1 4.26Å
66S98.7Very high98.5Very high57 Ų5737.3 Ų37.340%0.39920%0.199SC..EExtended strand (participates in β ladder)trans-132.1155.5172.6-60.60000110.5Y152 L153 I154S66-Y152 PolarHBondContact N-O 3.47Å; S66-L153 WeakPolarHBondContact O-CA 3.49Å; S66-I154 PolarHBondContact O-N 3.33Å
67W98.9Very high98.5Very high48 Ų4835.3 Ų35.318%0.18218%0.183CC..EExtended strand (participates in β ladder)trans-70.7136.4177.1-172.6-100.7000111.1T35 Q41 I44 V45 E69 A72 I154 C156T35-W67 HydrophobicContact CG2-CH2 4Å; Q41-W67 HydrophobicContact CB-CD2 3.71Å; Q41-W67 HydrophobicContact CB-CE3 3.88Å; Q41-W67 HydrophobicContact CB-CG 4.07Å; Q41-W67 HydrophobicContact CB-CH2 4.44Å; Q41-W67 HydrophobicContact CB-CZ2 4.31Å; Q41-W67 HydrophobicContact CB-CZ3 4.25Å; Q41-W67 HydrophobicContact CG-CD2 3.86Å; Q41-W67 HydrophobicContact CG-CE3 4.27Å; Q41-W67 HydrophobicContact CG-CG 4.38Å; Q41-W67 HydrophobicContact CG-CH2 4.05Å; Q41-W67 HydrophobicContact CG-CZ2 3.63Å; Q41-W67 HydrophobicContact CG-CZ3 4.36Å; I44-W67 HydrophobicContact CB-CZ3 4.42Å; I44-W67 HydrophobicContact CD1-CH2 4.27Å; I44-W67 HydrophobicContact CD1-CZ3 3.92Å; I44-W67 HydrophobicContact CG2-CZ3 4.31Å; V45-W67 HydrophobicContact CG2-CB 4.02Å; V45-W67 HydrophobicContact CG2-CE3 4.23Å; W67-E69 PolarHBondContact NE1-OE2 2.85Å; W67-E69 VanDerWaalsContact NE1-OE2 3.17Å; W67-A72 HydrophobicContact CH2-CB 4.28Å; W67-A72 HydrophobicContact CZ2-CB 3.44Å; W67-A72 VanDerWaalsContact CZ2-CB 3.44Å; W67-I154 CarbonylContact C-O 3.35Å; W67-I154 WeakPolarHBondContact CA-O 3.46Å; W67-I154 HydrophobicContact CE3-CG2 4.48Å; W67-C156 HydrophobicContact CH2-CB 3.91Å; W67-C156 HydrophobicContact CZ3-CB 4.11Å
68S98.6Very high98.4Very high13 Ų1333.9 Ų33.99%0.09117%0.173CC..  trans-117.8117.5170.7171.30000109.9E70 A71 A72 I154S68-E70 VanDerWaalsContact C-N 3.31Å; S68-A71 PolarHBondContact O-N 2.83Å; S68-A71 PolarHBondContact OG-N 2.86Å; S68-A72 WeakPolarHBondContact O-CB 3.26Å; S68-A72 PolarHBondContact O-N 3.35Å; S68-I154 PolarHBondContact N-O 3.15Å
69E98.4Very high98.3Very high89 Ų8931 Ų3142%0.41615%0.154SC..Hα-helixtrans-69.2-32177.7-169.756.4-148.200112W67 A72 E73 R76W67-E69 PolarHBondContact NE1-OE2 2.85Å; W67-E69 VanDerWaalsContact NE1-OE2 3.17Å; E69-A72 PolarHBondContact O-N 3.42Å; E69-E73 PolarHBondContact O-N 3.09Å; E69-R76 IonicContact OE1-CZ 3.88Å; E69-R76 IonicContact OE1-NH1 2.7Å; E69-R76 PolarHBondContact OE1-NH1 3.41Å; E69-R76 IonicContact OE1-NH2 2.62Å; E69-R76 PolarHBondContact OE1-NH2 3.34Å; E69-R76 IonicContact OE2-NH2 3.09Å
70E98.2Very high98.1Very high109 Ų10937.7 Ų37.751%0.50918%0.182SC..Hα-helixtrans-65.9-43.2176.1-61.3177.6-143.400111.2S68 A72 E73 N74 L94 P95S68-E70 VanDerWaalsContact C-N 3.31Å; E70-A72 VanDerWaalsContact C-N 3.33Å; E70-A72 PolarHBondContact O-N 3.04Å; E70-E73 PolarHBondContact O-N 2.84Å; E70-N74 PolarHBondContact O-N 3.4Å; E70-N74 VanDerWaalsContact O-N 3.13Å; E70-L94 HydrophobicContact CB-CD1 4.44Å; E70-L94 HydrophobicContact CB-CD2 3.54Å; E70-P95 WeakPolarHBondContact OE2-CD 3.48Å
71A98.6Very high97.8Very high0 Ų043.5 Ų43.50%020%0.203CC..Hα-helixtrans-65.3-38.3174.100000111.5S68 E73 N74 A75 L94 H174S68-A71 PolarHBondContact O-N 2.83Å; S68-A71 PolarHBondContact OG-N 2.86Å; A71-E73 VanDerWaalsContact C-N 3.32Å; A71-E73 PolarHBondContact O-N 3.2Å; A71-N74 PolarHBondContact O-N 2.99Å; A71-A75 PolarHBondContact O-N 3.05Å; A71-L94 HydrophobicContact CB-CD1 4.38Å; A71-H174 HydrophobicContact CB-CB 4.3Å
72A98.8Very high97.5Very high0 Ų044.4 Ų44.40%021%0.21CC..Hα-helixtrans-64.6-38.8177.100000111.4W67 S68 E69 E70 A75 R76W67-A72 HydrophobicContact CH2-CB 4.28Å; W67-A72 HydrophobicContact CZ2-CB 3.44Å; W67-A72 VanDerWaalsContact CZ2-CB 3.44Å; S68-A72 WeakPolarHBondContact O-CB 3.26Å; S68-A72 PolarHBondContact O-N 3.35Å; E69-A72 PolarHBondContact O-N 3.42Å; E70-A72 VanDerWaalsContact C-N 3.33Å; E70-A72 PolarHBondContact O-N 3.04Å; A72-A75 PolarHBondContact O-N 3.44Å; A72-R76 WeakPolarHBondContact O-CG 3.39Å; A72-R76 PolarHBondContact O-N 2.68Å
73E98.4Very high97Very high82 Ų8246.9 Ų46.938%0.38322%0.223SC..Hα-helixtrans-65.1-43.7176.5-173.556.6-161.300112E69 E70 A71 A75 R76 I77E69-E73 PolarHBondContact O-N 3.09Å; E70-E73 PolarHBondContact O-N 2.84Å; A71-E73 VanDerWaalsContact C-N 3.32Å; A71-E73 PolarHBondContact O-N 3.2Å; E73-A75 VanDerWaalsContact C-N 3.31Å; E73-A75 PolarHBondContact O-N 2.73Å; E73-R76 WeakPolarHBondContact O-CB 3.49Å; E73-R76 PolarHBondContact O-N 2.96Å; E73-R76 VanDerWaalsContact O-N 3.13Å; E73-R76 IonicContact OE2-CZ 2.99Å; E73-R76 IonicContact OE2-NH1 3.21Å; E73-R76 PolarHBondContact OE2-NH1 2.71Å; E73-I77 HydrophobicContact CG-CD1 4.22Å; E73-I77 WeakPolarHBondContact O-CG1 3.32Å; E73-I77 PolarHBondContact O-N 3.22Å
74N98.2Very high96.6Very high34 Ų3451.4 Ų51.418%0.18225%0.245CC..Hα-helixtrans-57.6-44.8172.4-70.6-11.5000111.1E70 A71 R76 I77 F78 E91E70-N74 PolarHBondContact O-N 3.4Å; E70-N74 VanDerWaalsContact O-N 3.13Å; A71-N74 PolarHBondContact O-N 2.99Å; N74-R76 PolarHBondContact O-N 2.92Å; N74-I77 PolarHBondContact O-N 2.86Å; N74-F78 WeakPolarHBondContact O-CB 3.49Å; N74-F78 PolarHBondContact O-N 2.99Å; N74-E91 PolarHBondContact ND2-O 3.39Å
75A98.4Very high96.3Very high0 Ų052.8 Ų52.80%026%0.259CS..Hα-helixtrans-63.6-37.2175.500000112.9A71 A72 E73 F78 S79 A157 V172 H174A71-A75 PolarHBondContact O-N 3.05Å; A72-A75 PolarHBondContact O-N 3.44Å; E73-A75 VanDerWaalsContact C-N 3.31Å; E73-A75 PolarHBondContact O-N 2.73Å; A75-F78 PolarHBondContact O-N 2.86Å; A75-S79 VanDerWaalsContact O-CB 3.25Å; A75-S79 WeakPolarHBondContact O-CB 3.41Å; A75-S79 PolarHBondContact O-N 3.32Å; A75-S79 PolarHBondContact O-OG 3.34Å; A75-A157 VanDerWaalsContact C-CB 3.44Å; A75-A157 HydrophobicContact CB-CB 3.89Å; A75-A157 WeakPolarHBondContact O-CB 3.33Å; A75-V172 HydrophobicContact CB-CB 4.31Å; A75-V172 HydrophobicContact CB-CG1 4.05Å; A75-H174 PolarHBondContact N-ND1 3.46Å
76R97.9Very high95.7Very high31 Ų3160.8 Ų60.812%0.11730%0.296CS..Hα-helixtrans-67.3-38.2175.7-74.8-170.8-159.996.81.9112D36 E69 A72 E73 N74 S79 K80 A157D36-R76 IonicContact OD1-CZ 2.68Å; D36-R76 IonicContact OD1-NE 3.9Å; D36-R76 PolarHBondContact OD1-NE 2.03Å; D36-R76 IonicContact OD1-NH2 2.72Å; D36-R76 PolarHBondContact OD1-NH2 2.86Å; E69-R76 IonicContact OE1-CZ 3.88Å; E69-R76 IonicContact OE1-NH1 2.7Å; E69-R76 PolarHBondContact OE1-NH1 3.41Å; E69-R76 IonicContact OE1-NH2 2.62Å; E69-R76 PolarHBondContact OE1-NH2 3.34Å; E69-R76 IonicContact OE2-NH2 3.09Å; A72-R76 WeakPolarHBondContact O-CG 3.39Å; A72-R76 PolarHBondContact O-N 2.68Å; E73-R76 WeakPolarHBondContact O-CB 3.49Å; E73-R76 PolarHBondContact O-N 2.96Å; E73-R76 VanDerWaalsContact O-N 3.13Å; E73-R76 IonicContact OE2-CZ 2.99Å; E73-R76 IonicContact OE2-NH1 3.21Å; E73-R76 PolarHBondContact OE2-NH1 2.71Å; N74-R76 PolarHBondContact O-N 2.92Å; R76-S79 PolarHBondContact O-OG 2.95Å; R76-K80 WeakPolarHBondContact O-CD 2.94Å; R76-K80 WeakPolarHBondContact O-CE 3.47Å; R76-K80 WeakPolarHBondContact O-CG 3.27Å; R76-A157 HydrophobicContact CB-CB 4.18Å; R76-A157 HydrophobicContact CG-CB 3.7Å
77I96.4Very high95.2Very high78 Ų7858.3 Ų58.340%0.428%0.279SS..Hα-helixtrans-64.2-51.7174.6-68.9165.6000108.7E73 N74 K80E73-I77 HydrophobicContact CG-CD1 4.22Å; E73-I77 WeakPolarHBondContact O-CG1 3.32Å; E73-I77 PolarHBondContact O-N 3.22Å; N74-I77 PolarHBondContact O-N 2.86Å; I77-K80 WeakPolarHBondContact O-CB 3.27Å; I77-K80 PolarHBondContact O-N 3.05Å
78F97.1Very high95Very high15 Ų1559.6 Ų59.67%0.06629%0.289CS..Hα-helixtrans-66.2-45.2-174.3-174.8-111.9000113.4N74 A75 K80 Y81 T85 S87 E101 M103 V172N74-F78 WeakPolarHBondContact O-CB 3.49Å; N74-F78 PolarHBondContact O-N 2.99Å; A75-F78 PolarHBondContact O-N 2.86Å; F78-K80 PolarHBondContact O-N 3.17Å; F78-Y81 AromaticContact CD2-CD2 3.64Å; F78-Y81 HydrophobicContact CD2-CD2 3.64Å; F78-Y81 HydrophobicContact CD2-CE2 4.09Å; F78-Y81 HydrophobicContact CE2-CD2 4.02Å; F78-Y81 HydrophobicContact CG-CD2 4.43Å; F78-Y81 WeakPolarHBondContact O-CB 3.38Å; F78-Y81 WeakPolarHBondContact O-CD2 3.48Å; F78-Y81 PolarHBondContact O-N 3.29Å; F78-T85 VanDerWaalsContact CZ-O 3.24Å; F78-T85 WeakPolarHBondContact CZ-O 3.44Å; F78-S87 VanDerWaalsContact CD2-CB 3.43Å; F78-E101 VanDerWaalsContact CD1-OE2 3.29Å; F78-E101 WeakPolarHBondContact CD1-OE2 3.49Å; F78-E101 WeakPolarHBondContact CE1-OE2 3.5Å; F78-M103 HydrophobicContact CD1-CE 4.43Å; F78-M103 HydrophobicContact CE1-CE 3.52Å; F78-M103 HydrophobicContact CE1-SD 3.79Å; F78-M103 HydrophobicContact CZ-CE 4.25Å; F78-V172 HydrophobicContact CD1-CG1 4.15Å; F78-V172 HydrophobicContact CD1-CG2 4.17Å
79S96.1Very high94.7Very high4 Ų462.4 Ų62.43%0.02831%0.307CS..Hα-helixtrans-58.6-19.3-178.458.60000114.1A75 R76 Y81 C82 A159A75-S79 VanDerWaalsContact O-CB 3.25Å; A75-S79 WeakPolarHBondContact O-CB 3.41Å; A75-S79 PolarHBondContact O-N 3.32Å; A75-S79 PolarHBondContact O-OG 3.34Å; R76-S79 PolarHBondContact O-OG 2.95Å; S79-Y81 VanDerWaalsContact C-N 3.34Å; S79-Y81 PolarHBondContact O-N 3.1Å; S79-C82 PolarHBondContact O-N 3.37Å; S79-A159 WeakPolarHBondContact O-CB 3.39Å
80K93.8Very high94.5Very high147 Ų14763.9 Ų63.964%0.63932%0.317SS*.THydrogen-bonded Turntrans-71.4-22.5175.4-67.7166.1-173.1164.80113.9R76 I77 F78 C82R76-K80 WeakPolarHBondContact O-CD 2.94Å; R76-K80 WeakPolarHBondContact O-CE 3.47Å; R76-K80 WeakPolarHBondContact O-CG 3.27Å; I77-K80 WeakPolarHBondContact O-CB 3.27Å; I77-K80 PolarHBondContact O-N 3.05Å; F78-K80 PolarHBondContact O-N 3.17Å; K80-C82 PolarHBondContact O-N 2.9Å
81Y92.7Very high94.3Very high134 Ų13463.3 Ų63.353%0.52532%0.315SS..THydrogen-bonded Turntrans-63.6-25.4173.1-67.2-69.3000111.6F78 S79 D83F78-Y81 AromaticContact CD2-CD2 3.64Å; F78-Y81 HydrophobicContact CD2-CD2 3.64Å; F78-Y81 HydrophobicContact CD2-CE2 4.09Å; F78-Y81 HydrophobicContact CE2-CD2 4.02Å; F78-Y81 HydrophobicContact CG-CD2 4.43Å; F78-Y81 WeakPolarHBondContact O-CB 3.38Å; F78-Y81 WeakPolarHBondContact O-CD2 3.48Å; F78-Y81 PolarHBondContact O-N 3.29Å; S79-Y81 VanDerWaalsContact C-N 3.34Å; S79-Y81 PolarHBondContact O-N 3.1Å; Y81-D83 VanDerWaalsContact C-N 3.28Å; Y81-D83 PolarHBondContact O-N 3.28Å
82C92.3Very high94.2Very high28 Ų2864.5 Ų64.519%0.18932%0.319CS..  trans59.638.3171.1-80.40000113.1S79 K80 C161 Q163S79-C82 PolarHBondContact O-N 3.37Å; K80-C82 PolarHBondContact O-N 2.9Å; C82-C161 WeakPolarHBondContact CA-SG 3.42Å; C82-C161 HydrophobicContact CB-CB 3.55Å; C82-C161 WeakPolarHBondContact CB-SG 3.47Å; C82-C161 WeakPolarHBondContact SG-CA 3.38Å; C82-C161 WeakPolarHBondContact SG-CB 3.2Å; C82-C161 CovalentContact SG-SG 2.03Å; C82-C161 PolarHBondContact SG-SG 2.79Å; C82-Q163 PolarHBondContact O-NE2 2.91Å
83D89.3Confident94Very high53 Ų5368.9 Ų68.928%0.28334%0.336SS..SBendtrans-127.3175.2169.865.959000110.4Y81 T85 M103 L170Y81-D83 VanDerWaalsContact C-N 3.28Å; Y81-D83 PolarHBondContact O-N 3.28Å; D83-T85 WeakPolarHBondContact OD1-CB 2.96Å; D83-T85 PolarHBondContact OD1-N 2.95Å; D83-T85 PolarHBondContact OD1-OG1 3.44Å; D83-M103 WeakPolarHBondContact O-CE 3.49Å; D83-L170 VanDerWaalsContact O-CD2 3.28Å; D83-L170 WeakPolarHBondContact O-CD2 3.37Å
84M90.9Very high93.9Very high97 Ų9765.6 Ų65.648%0.47832%0.321SS..  trans-109.518.4178.7-73.5-69.2-59.500111.1M103 M105 L170M84-M103 HydrophobicContact CE-CB 3.69Å; M84-M103 HydrophobicContact SD-CB 3.99Å; M84-M103 HydrophobicContact SD-CE 4.11Å; M84-M105 HydrophobicContact CG-CB 3.92Å; M84-M105 HydrophobicContact CG-CE 4.04Å; M84-M105 HydrophobicContact SD-CB 3.59Å; M84-M105 VanDerWaalsContact SD-CB 3.59Å; M84-M105 HydrophobicContact SD-CE 4.31Å; M84-L170 HydrophobicContact SD-CD1 3.63Å
85T92.1Very high93.5Very high88 Ų8868.4 Ų68.454%0.5434%0.341SS..SBendtrans-73.4147.3172.162.40000108.4F78 D83F78-T85 VanDerWaalsContact CZ-O 3.24Å; F78-T85 WeakPolarHBondContact CZ-O 3.44Å; D83-T85 WeakPolarHBondContact OD1-CB 2.96Å; D83-T85 PolarHBondContact OD1-N 2.95Å; D83-T85 PolarHBondContact OD1-OG1 3.44Å
86E85.3Confident93Very high169 Ų16972 Ų7279%0.7936%0.36SS*.PPolyproline II helixtrans-64.7139.7175.8-69.4-179.6-174.800110.3
87S89.6Confident92.8Very high5 Ų570.8 Ų70.84%0.03536%0.356CS..PPolyproline II helixtrans-68.9150.1173.358.80000111.8F78 P89 R92 E101F78-S87 VanDerWaalsContact CD2-CB 3.43Å; S87-P89 WeakPolarHBondContact O-CD 3.12Å; S87-R92 PolarHBondContact O-NH2 3.44Å; S87-R92 VanDerWaalsContact O-NH2 3.16Å; S87-R92 WeakPolarHBondContact OG-CD 3.39Å; S87-R92 WeakPolarHBondContact OG-CG 3.21Å; S87-R92 PolarHBondContact OG-NE 3.06Å; S87-E101 PolarHBondContact N-OE1 3.38Å; S87-E101 PolarHBondContact OG-OE1 2.96Å; S87-E101 PolarHBondContact OG-OE2 3.1Å
88N93.8Very high92.8Very high76 Ų7668.8 Ų68.841%0.40635%0.345SS..PPolyproline II helixtrans-59123.7173.1-178.9-15.7000109.7L90 E91 R92N88-L90 PolarHBondContact O-N 3.39Å; N88-L90 VanDerWaalsContact O-N 3.07Å; N88-L90 WeakPolarHBondContact OD1-CB 3.17Å; N88-L90 PolarHBondContact OD1-N 3.31Å; N88-E91 HydrophobicContact CB-CB 4.34Å; N88-E91 HydrophobicContact CB-CG 3.93Å; N88-E91 WeakPolarHBondContact O-CB 3.21Å; N88-E91 PolarHBondContact O-N 3.1Å; N88-R92 PolarHBondContact O-N 2.88Å
89P92.6Very high92.8Very high71 Ų7168.2 Ų68.246%0.46134%0.342SS..G310 helixtrans-54.7-29.9179.2-27.534.9000114.2S87 E91 R92 R93S87-P89 WeakPolarHBondContact O-CD 3.12Å; P89-E91 VanDerWaalsContact C-N 3.3Å; P89-E91 PolarHBondContact O-N 3.43Å; P89-R92 PolarHBondContact O-N 3.42Å; P89-R93 PolarHBondContact O-N 3.35Å
90L93.6Very high92.9Very high121 Ų12168.2 Ų68.263%0.63434%0.343SS*.G310 helixtrans-67.6-29.9175.9-63.3178.9000112.7N88 R93 F98N88-L90 PolarHBondContact O-N 3.39Å; N88-L90 VanDerWaalsContact O-N 3.07Å; N88-L90 WeakPolarHBondContact OD1-CB 3.17Å; N88-L90 PolarHBondContact OD1-N 3.31Å; L90-R93 WeakPolarHBondContact O-CB 3.44Å; L90-R93 PolarHBondContact O-N 3.05Å; L90-F98 HydrophobicContact CD2-CE1 4.16Å
91E94.8Very high93.1Very high97 Ų9762.7 Ų62.745%0.45332%0.32SS..G310 helixtrans-78.1-14.1176.1-64.1177.7166.900112.1N74 N88 P89N74-E91 PolarHBondContact ND2-O 3.39Å; N88-E91 HydrophobicContact CB-CB 4.34Å; N88-E91 HydrophobicContact CB-CG 3.93Å; N88-E91 WeakPolarHBondContact O-CB 3.21Å; N88-E91 PolarHBondContact O-N 3.1Å; P89-E91 VanDerWaalsContact C-N 3.3Å; P89-E91 PolarHBondContact O-N 3.43Å
92R96.1Very high93.4Very high24 Ų2456.4 Ų56.49%0.09130%0.295CS..G310 helixtrans-93.3-2.9173.7-71.4-172-85.4149.6-13.9113.5S87 N88 P89 C99 G100S87-R92 PolarHBondContact O-NH2 3.44Å; S87-R92 VanDerWaalsContact O-NH2 3.16Å; S87-R92 WeakPolarHBondContact OG-CD 3.39Å; S87-R92 WeakPolarHBondContact OG-CG 3.21Å; S87-R92 PolarHBondContact OG-NE 3.06Å; N88-R92 PolarHBondContact O-N 2.88Å; P89-R92 PolarHBondContact O-N 3.42Å; R92-C99 HydrophobicContact CB-CB 4.21Å; R92-C99 WeakPolarHBondContact CD-O 3.4Å; R92-C99 PolarHBondContact NH1-O 2.77Å; R92-C99 WeakPolarHBondContact O-CB 3.46Å; R92-C99 PolarHBondContact O-SG 3.38Å; R92-G100 VanDerWaalsContact NH1-C 3.25Å; R92-G100 VanDerWaalsContact NH1-CA 3.27Å
93R95.2Very high93.7Very high92 Ų9255.7 Ų55.735%0.34729%0.289SS..  trans-71136.3-176.2-173.6171.6175137.63111.5P89 L90 F98 E216P89-R93 PolarHBondContact O-N 3.35Å; L90-R93 WeakPolarHBondContact O-CB 3.44Å; L90-R93 PolarHBondContact O-N 3.05Å; R93-F98 HydrophobicContact CB-CD1 3.99Å; R93-F98 HydrophobicContact CB-CE1 4.14Å; R93-F98 HydrophobicContact CG-CD1 4.09Å; R93-F98 HydrophobicContact CG-CE1 4.07Å; R93-F98 HydrophobicContact CG-CZ 4.49Å; R93-E216 IonicContact CZ-OE1 3.54Å; R93-E216 IonicContact CZ-OE2 3.8Å; R93-E216 IonicContact NH1-OE1 3.63Å; R93-E216 IonicContact NH1-OE2 3.13Å; R93-E216 PolarHBondContact NH1-OE2 2.03Å; R93-E216 VanDerWaalsContact NH1-OE2 3.13Å; R93-E216 IonicContact NH2-OE1 2.66Å; R93-E216 PolarHBondContact NH2-OE1 2.97Å; R93-E216 IonicContact NH2-OE2 3.61Å
94L95.2Very high94.1Very high13 Ų1355.4 Ų55.47%0.06829%0.286CS..BIsolated β-bridgetrans-106169166.2-58.5-171.9000109.8E70 A71 N96 T97 C176E70-L94 HydrophobicContact CB-CD1 4.44Å; E70-L94 HydrophobicContact CB-CD2 3.54Å; A71-L94 HydrophobicContact CB-CD1 4.38Å; L94-N96 PolarHBondContact O-N 3.3Å; L94-T97 HydrophobicContact CB-CG2 3.7Å; L94-T97 HydrophobicContact CD1-CG2 4.04Å; L94-T97 HydrophobicContact CG-CG2 4.18Å; L94-T97 PolarHBondContact N-O 3.22Å; L94-T97 PolarHBondContact O-N 3.45Å; L94-C176 HydrophobicContact CD1-CB 4.33Å
95P89.9Confident94.3Very high93 Ų9352.8 Ų52.860%0.60427%0.273SS*.THydrogen-bonded Turntrans-52.2-36.6-173.9-31.437.2000115.3E70E70-P95 WeakPolarHBondContact OE2-CD 3.48Å
96N88.3Confident94.4Very high75 Ų7549.5 Ų49.540%0.40125%0.253SS..THydrogen-bonded Turntrans-123.919.5-176.4-60-51000113.5L94 I212 Y214L94-N96 PolarHBondContact O-N 3.3Å; N96-I212 WeakPolarHBondContact CB-O 3.43Å; N96-Y214 WeakPolarHBondContact O-CB 3.36Å
97T94.1Very high94.8Very high7 Ų744 Ų444%0.04323%0.233CC..BIsolated β-bridgetrans-165157.6-178.3-178.40000112.5L94 C176 H177L94-T97 HydrophobicContact CB-CG2 3.7Å; L94-T97 HydrophobicContact CD1-CG2 4.04Å; L94-T97 HydrophobicContact CG-CG2 4.18Å; L94-T97 PolarHBondContact N-O 3.22Å; L94-T97 PolarHBondContact O-N 3.45Å; T97-C176 HydrophobicContact CG2-CB 3.71Å; T97-H177 VanDerWaalsContact CB-ND1 3.3Å; T97-H177 WeakPolarHBondContact CB-ND1 3.46Å; T97-H177 WeakPolarHBondContact OG1-CA 3.44Å; T97-H177 PolarHBondContact OG1-CE1 3.06Å; T97-H177 PolarHBondContact OG1-ND1 2.86Å
98F95.4Very high94.9Very high35 Ų3550.4 Ų50.415%0.15426%0.258CS..  trans-92.2168.6158.1-66.5-93.6000110.7L90 R93 E178 Y214L90-F98 HydrophobicContact CD2-CE1 4.16Å; R93-F98 HydrophobicContact CB-CD1 3.99Å; R93-F98 HydrophobicContact CB-CE1 4.14Å; R93-F98 HydrophobicContact CG-CD1 4.09Å; R93-F98 HydrophobicContact CG-CE1 4.07Å; R93-F98 HydrophobicContact CG-CZ 4.49Å; F98-E178 VanDerWaalsContact CB-OE2 3.25Å; F98-E178 WeakPolarHBondContact CB-OE2 3.5Å; F98-E178 PolarHBondContact O-N 3.42Å; F98-Y214 HydrophobicContact CD2-CD1 4.29Å; F98-Y214 AromaticContact CD2-CE1 3.66Å; F98-Y214 HydrophobicContact CD2-CE1 3.66Å; F98-Y214 AromaticContact CD2-CZ 3.88Å; F98-Y214 AromaticContact CE2-CE1 3.98Å; F98-Y214 HydrophobicContact CE2-CE1 3.98Å
99C98.1Very high94.9Very high3 Ų347 Ų472%0.0224%0.24CC..  trans-132.3141.4178.5-51.30000110.6R92 H174 Y175 C176R92-C99 HydrophobicContact CB-CB 4.21Å; R92-C99 WeakPolarHBondContact CD-O 3.4Å; R92-C99 PolarHBondContact NH1-O 2.77Å; R92-C99 WeakPolarHBondContact O-CB 3.46Å; R92-C99 PolarHBondContact O-SG 3.38Å; C99-H174 HydrophobicContact CB-CB 4.14Å; C99-Y175 CarbonylContact C-O 3.5Å; C99-Y175 WeakPolarHBondContact CA-O 3.32Å; C99-Y175 WeakPolarHBondContact CB-O 3.44Å; C99-C176 HydrophobicContact CB-CB 3.98Å; C99-C176 WeakPolarHBondContact CB-SG 3.1Å; C99-C176 WeakPolarHBondContact SG-CB 3.29Å; C99-C176 CovalentContact SG-SG 2.03Å; C99-C176 PolarHBondContact SG-SG 3.06Å
100G98Very high95.1Very high5 Ų545 Ų455%0.05223%0.226CC..EExtended strand (participates in β ladder)trans-74.1-179.216800000112R92 H174 Y175 E178R92-G100 VanDerWaalsContact NH1-C 3.25Å; R92-G100 VanDerWaalsContact NH1-CA 3.27Å; G100-H174 VanDerWaalsContact O-CA 3.23Å; G100-H174 WeakPolarHBondContact O-CA 3.25Å; G100-Y175 PolarHBondContact N-O 2.88Å; G100-Y175 PolarHBondContact O-N 2.93Å; G100-E178 VanDerWaalsContact N-CB 3.34Å
101E98.4Very high95.3Very high30 Ų3041.1 Ų41.114%0.1421%0.209CC..EExtended strand (participates in β ladder)trans-148.6133.3-177.2178.8165.568.800111.7F78 S87 M103 V172 C173 H174F78-E101 VanDerWaalsContact CD1-OE2 3.29Å; F78-E101 WeakPolarHBondContact CD1-OE2 3.49Å; F78-E101 WeakPolarHBondContact CE1-OE2 3.5Å; S87-E101 PolarHBondContact N-OE1 3.38Å; S87-E101 PolarHBondContact OG-OE1 2.96Å; S87-E101 PolarHBondContact OG-OE2 3.1Å; E101-M103 HydrophobicContact CG-CG 3.79Å; E101-M103 HydrophobicContact CG-SD 4.34Å; E101-V172 HydrophobicContact CG-CG1 4.24Å; E101-V172 WeakPolarHBondContact OE2-CG1 3.23Å; E101-C173 CarbonylContact C-O 3.46Å; E101-C173 VanDerWaalsContact CA-O 3.32Å; E101-C173 WeakPolarHBondContact CA-O 3.5Å; E101-H174 IonicContact OE2-CD2 2.85Å; E101-H174 PolarHBondContact OE2-CD2 2.76Å; E101-H174 IonicContact OE2-CE1 2.77Å; E101-H174 IonicContact OE2-NE2 3.2Å; E101-H174 PolarHBondContact OE2-NE2 2.89Å
102N98.6Very high95.5Very high2 Ų236.5 Ų36.51%0.01119%0.188CC..EExtended strand (participates in β ladder)trans-117.3140.1161-73.5-4.7000109.1W119 H142 V172 C173 Y175N102-W119 HydrophobicContact CB-CD2 3.93Å; N102-W119 HydrophobicContact CB-CE3 4.12Å; N102-W119 HydrophobicContact CB-CH2 3.96Å; N102-W119 HydrophobicContact CB-CZ2 3.74Å; N102-W119 HydrophobicContact CB-CZ3 4.14Å; N102-H142 PolarHBondContact ND2-O 2.89Å; N102-H142 VanDerWaalsContact ND2-O 3.09Å; N102-H142 WeakPolarHBondContact OD1-CA 3.3Å; N102-V172 WeakPolarHBondContact O-CA 3.49Å; N102-C173 PolarHBondContact N-O 3.36Å; N102-C173 PolarHBondContact O-N 3.11Å; N102-Y175 HydrophobicContact CB-CE2 3.68Å; N102-Y175 PolarHBondContact ND2-OH 3.37Å; N102-Y175 VanDerWaalsContact ND2-OH 3.15Å
103M98.1Very high95.6Very high14 Ų1438 Ų387%0.06920%0.202CC..EExtended strand (participates in β ladder)trans-127.4151.4178.3-61.5177.873.700111.8F78 D83 M84 E101 W119 L170 Y171 V172F78-M103 HydrophobicContact CD1-CE 4.43Å; F78-M103 HydrophobicContact CE1-CE 3.52Å; F78-M103 HydrophobicContact CE1-SD 3.79Å; F78-M103 HydrophobicContact CZ-CE 4.25Å; D83-M103 WeakPolarHBondContact O-CE 3.49Å; M84-M103 HydrophobicContact CE-CB 3.69Å; M84-M103 HydrophobicContact SD-CB 3.99Å; M84-M103 HydrophobicContact SD-CE 4.11Å; E101-M103 HydrophobicContact CG-CG 3.79Å; E101-M103 HydrophobicContact CG-SD 4.34Å; M103-W119 PolarHBondContact O-NE1 2.6Å; M103-L170 HydrophobicContact CB-CD1 4.42Å; M103-L170 HydrophobicContact CE-CD1 3.59Å; M103-L170 HydrophobicContact CE-CD2 3.97Å; M103-L170 HydrophobicContact CE-CG 4.34Å; M103-Y171 CarbonylContact C-O 3.39Å; M103-Y171 VanDerWaalsContact CA-O 3.27Å; M103-Y171 WeakPolarHBondContact CA-O 3.34Å; M103-V172 HydrophobicContact CE-CG2 4.3Å; M103-V172 HydrophobicContact CG-CG2 4.33Å
104H97.2Very high95.7Very high47 Ų4736.5 Ų36.522%0.21821%0.205CC..EExtended strand (participates in β ladder)trans-148.4133.7170.1-171.374.6000110.8V115 W119 Y171H104-V115 HydrophobicContact CB-CG1 3.63Å; H104-W119 HydrophobicContact CB-CZ2 4Å; H104-Y171 PolarHBondContact N-O 3.27Å; H104-Y171 PolarHBondContact O-N 3.47Å
105M95.6Very high95.9Very high41 Ų4135.9 Ų35.920%0.20220%0.202CC..EExtended strand (participates in β ladder)trans-117.8127.6177.6-173.676.373.300110.5M84 R168 Y169 L170M84-M105 HydrophobicContact CG-CB 3.92Å; M84-M105 HydrophobicContact CG-CE 4.04Å; M84-M105 HydrophobicContact SD-CB 3.59Å; M84-M105 VanDerWaalsContact SD-CB 3.59Å; M84-M105 HydrophobicContact SD-CE 4.31Å; M105-R168 HydrophobicContact SD-CB 3.74Å; M105-R168 HydrophobicContact SD-CG 4.45Å; M105-Y169 WeakPolarHBondContact CA-O 3.23Å; M105-L170 HydrophobicContact CE-CB 3.75Å; M105-L170 HydrophobicContact CE-CD1 3.91Å; M105-L170 HydrophobicContact CE-CD2 4.25Å; M105-L170 HydrophobicContact CE-CG 4.17Å; M105-L170 HydrophobicContact SD-CB 3.86Å
106T94.9Very high96.3Very high20 Ų2031.5 Ų31.512%0.12317%0.174CC..EExtended strand (participates in β ladder)trans-134.7168.8175.6179.20000112Y108 V110 R168 Y169 Y171T106-Y108 WeakPolarHBondContact CG2-O 3.42Å; T106-V110 HydrophobicContact CG2-CG2 3.95Å; T106-R168 CarbonylContact O-C 3.53Å; T106-R168 WeakPolarHBondContact O-CA 3.42Å; T106-Y169 PolarHBondContact N-O 2.04Å; T106-Y169 PolarHBondContact O-N 2.71Å; T106-Y171 HydrophobicContact CG2-CD2 4.45Å; T106-Y171 HydrophobicContact CG2-CE2 3.72Å
107S92.8Very high96.8Very high53 Ų5329.7 Ų29.737%0.37117%0.173SC..SBendtrans-90.3-12.1-176.662.30000114.4
108Y92.1Very high97Very high139 Ų13932.7 Ų32.755%0.54519%0.191SC..SBendtrans-142.3152.8178.250.8-90.3000109.7T106 V110 Y169T106-Y108 WeakPolarHBondContact CG2-O 3.42Å; Y108-V110 HydrophobicContact CD2-CG1 3.48Å; Y108-V110 VanDerWaalsContact CD2-CG1 3.48Å; Y108-V110 HydrophobicContact CE2-CG1 3.3Å; Y108-Y169 VanDerWaalsContact C-CD2 3.42Å
109P93.8Very high97.2Very high6 Ų631.1 Ų31.14%0.03918%0.184CC..  trans-65.5137.4176.827.6-30.5000109.9Q29 F30 L33 Y169 Y171Q29-P109 HydrophobicContact CB-CB 4.29Å; Q29-P109 HydrophobicContact CB-CG 3.71Å; F30-P109 HydrophobicContact CB-CB 4.36Å; L33-P109 HydrophobicContact CD1-CB 3.65Å; P109-Y169 HydrophobicContact CB-CD1 4.29Å; P109-Y169 HydrophobicContact CB-CE1 4.25Å; P109-Y169 VanDerWaalsContact CD-CE2 3.48Å; P109-Y169 HydrophobicContact CG-CE1 4.39Å; P109-Y169 HydrophobicContact CG-CE2 4.49Å; P109-Y171 WeakPolarHBondContact CA-OH 3.46Å
110V96.1Very high97.2Very high28 Ų2833.6 Ų33.617%0.1719%0.193CC..  trans-135.4155.3-178.2-66.60000108.8L33 T106 Y108 V115 Y171L33-V110 WeakPolarHBondContact CD1-O 3.31Å; L33-V110 WeakPolarHBondContact CD2-O 3.42Å; T106-V110 HydrophobicContact CG2-CG2 3.95Å; Y108-V110 HydrophobicContact CD2-CG1 3.48Å; Y108-V110 VanDerWaalsContact CD2-CG1 3.48Å; Y108-V110 HydrophobicContact CE2-CG1 3.3Å; V110-V115 HydrophobicContact CG2-CG2 3.58Å; V110-Y171 HydrophobicContact CG2-CE2 4.14Å; V110-Y171 PolarHBondContact N-OH 2.9Å; V110-Y171 PolarHBondContact O-OH 3.33Å
111S98.1Very high97.2Very high39 Ų3936.4 Ų36.427%0.27321%0.212SC..  trans-63.4150.6-179740000112.3S113 S114 V115S111-S113 PolarHBondContact O-N 3.28Å; S111-S113 PolarHBondContact OG-OG 3.14Å; S111-S114 WeakPolarHBondContact O-CB 3.36Å; S111-S114 PolarHBondContact O-N 3.09Å; S111-S114 PolarHBondContact OG-N 3.15Å; S111-S114 PolarHBondContact OG-OG 2.83Å; S111-V115 PolarHBondContact O-N 3.29Å
112W98.6Very high97.1Very high0 Ų035.9 Ų35.90%021%0.21CC..Hα-helixtrans-57.2-38.8172.2-81.5105.4000111.6L33 T35 V40 I44 S114 V115 I116 W119 C156 A157 I158 Y171 C173L33-W112 PolarHBondContact O-NE1 3.34Å; T35-W112 HydrophobicContact CG2-CZ2 3.63Å; V40-W112 HydrophobicContact CG1-CG 4.42Å; I44-W112 HydrophobicContact CD1-CD2 3.57Å; I44-W112 HydrophobicContact CD1-CE3 4.03Å; I44-W112 HydrophobicContact CD1-CG 3.8Å; I44-W112 HydrophobicContact CD1-CZ2 4.19Å; I44-W112 HydrophobicContact CG1-CB 3.87Å; I44-W112 HydrophobicContact CG1-CD2 3.82Å; I44-W112 HydrophobicContact CG1-CE3 4.17Å; I44-W112 HydrophobicContact CG1-CG 3.69Å; W112-S114 PolarHBondContact O-N 2.94Å; W112-V115 PolarHBondContact O-N 3.31Å; W112-I116 HydrophobicContact CB-CD1 4.46Å; W112-I116 WeakPolarHBondContact O-CB 3.19Å; W112-I116 WeakPolarHBondContact O-CD1 3.38Å; W112-I116 VanDerWaalsContact O-CG1 3.28Å; W112-I116 WeakPolarHBondContact O-CG1 3.28Å; W112-I116 PolarHBondContact O-N 3.12Å; W112-W119 HydrophobicContact CZ3-CH2 4.28Å; W112-C156 HydrophobicContact CH2-CB 3.58Å; W112-C156 HydrophobicContact CZ2-CB 4.07Å; W112-C156 HydrophobicContact CZ3-CB 4.02Å; W112-A157 WeakPolarHBondContact CH2-O 3.27Å; W112-I158 HydrophobicContact CZ2-CB 4.22Å; W112-Y171 HydrophobicContact CD2-CD1 4.16Å; W112-Y171 HydrophobicContact CE3-CD1 4.04Å; W112-Y171 AromaticContact CH2-CD1 3.77Å; W112-Y171 HydrophobicContact CH2-CD1 3.77Å; W112-Y171 HydrophobicContact CH2-CG 4.39Å; W112-Y171 AromaticContact CZ2-CD1 3.88Å; W112-Y171 HydrophobicContact CZ2-CD1 3.88Å; W112-Y171 AromaticContact CZ3-CD1 3.85Å; W112-Y171 HydrophobicContact CZ3-CD1 3.85Å; W112-Y171 HydrophobicContact CZ3-CG 4.46Å; W112-C173 VanDerWaalsContact CZ3-SG 3.56Å
113S98.6Very high96.9Very high55 Ų5537.4 Ų37.439%0.38522%0.221SC..Hα-helixtrans-55.1-36.9172.478.70000114.2E43 S111 G117E43-S113 PolarHBondContact OE1-N 3.48Å; S111-S113 PolarHBondContact O-N 3.28Å; S111-S113 PolarHBondContact OG-OG 3.14Å; S113-G117 PolarHBondContact O-N 3.04Å
114S98.4Very high96.8Very high61 Ų6142.6 Ų42.643%0.42725%0.253SS..Hα-helixtrans-72.1-43.1177.6-530000111.6S111 W112 G117 V118S111-S114 WeakPolarHBondContact O-CB 3.36Å; S111-S114 PolarHBondContact O-N 3.09Å; S111-S114 PolarHBondContact OG-N 3.15Å; S111-S114 PolarHBondContact OG-OG 2.83Å; W112-S114 PolarHBondContact O-N 2.94Å; S114-G117 PolarHBondContact O-N 2.92Å; S114-V118 WeakPolarHBondContact O-CG2 3.4Å; S114-V118 PolarHBondContact O-N 3.34Å
115V98.6Very high96.6Very high1 Ų143.2 Ų43.21%0.00626%0.263CS..Hα-helixtrans-63.8-48.3178.5177.40000111H104 V110 S111 W112 G117 V118 W119 Y171H104-V115 HydrophobicContact CB-CG1 3.63Å; V110-V115 HydrophobicContact CG2-CG2 3.58Å; S111-V115 PolarHBondContact O-N 3.29Å; W112-V115 PolarHBondContact O-N 3.31Å; V115-G117 PolarHBondContact O-N 2.88Å; V115-V118 WeakPolarHBondContact O-CB 3.46Å; V115-V118 PolarHBondContact O-N 2.87Å; V115-V118 VanDerWaalsContact O-N 3.09Å; V115-W119 HydrophobicContact CG1-CD2 4.12Å; V115-W119 HydrophobicContact CG1-CE3 4.28Å; V115-W119 HydrophobicContact CG1-CH2 3.72Å; V115-W119 HydrophobicContact CG1-CZ2 3.53Å; V115-W119 HydrophobicContact CG1-CZ3 4.1Å; V115-W119 PolarHBondContact O-N 2.81Å; V115-W119 VanDerWaalsContact O-N 3.08Å; V115-Y171 HydrophobicContact CB-CD1 4.49Å; V115-Y171 HydrophobicContact CG1-CG 4.27Å; V115-Y171 HydrophobicContact CG2-CD1 3.76Å; V115-Y171 HydrophobicContact CG2-CD2 4.1Å; V115-Y171 HydrophobicContact CG2-CE1 3.86Å; V115-Y171 HydrophobicContact CG2-CE2 4.24Å; V115-Y171 HydrophobicContact CG2-CG 3.9Å
116I98.8Very high96.5Very high0 Ų042.4 Ų42.40%026%0.258CS..Hα-helixtrans-63-36.7176.8-61.2161.6000110.3I44 I47 H48 L51 W112 V118 W119 Y120 I146I44-I116 HydrophobicContact CG2-CD1 4.32Å; I47-I116 HydrophobicContact CB-CD1 4.23Å; I47-I116 HydrophobicContact CD1-CD1 4.38Å; I47-I116 HydrophobicContact CG2-CB 4.21Å; I47-I116 HydrophobicContact CG2-CD1 4.07Å; I47-I116 HydrophobicContact CG2-CG2 3.72Å; H48-I116 VanDerWaalsContact CE1-CD1 3.43Å; H48-I116 WeakPolarHBondContact CE1-CD1 3.22Å; L51-I116 HydrophobicContact CD1-CG2 3.73Å; W112-I116 HydrophobicContact CB-CD1 4.46Å; W112-I116 WeakPolarHBondContact O-CB 3.19Å; W112-I116 WeakPolarHBondContact O-CD1 3.38Å; W112-I116 VanDerWaalsContact O-CG1 3.28Å; W112-I116 WeakPolarHBondContact O-CG1 3.28Å; W112-I116 PolarHBondContact O-N 3.12Å; I116-V118 VanDerWaalsContact C-N 3.34Å; I116-V118 PolarHBondContact O-N 3.35Å; I116-W119 HydrophobicContact CB-CE3 4.48Å; I116-W119 HydrophobicContact CG1-CE3 4.13Å; I116-W119 HydrophobicContact CG1-CZ3 4.11Å; I116-W119 PolarHBondContact O-N 3.27Å; I116-Y120 VanDerWaalsContact O-CB 3.3Å; I116-Y120 WeakPolarHBondContact O-CB 3.05Å; I116-Y120 PolarHBondContact O-N 3.02Å; I116-I146 HydrophobicContact CG2-CD1 4.11Å
117G98.6Very high96.5Very high38 Ų3847.2 Ų47.239%0.39228%0.277SS..Hα-helixtrans-61.7-37.9173.400000113.5S113 S114 V115 S121S113-G117 PolarHBondContact O-N 3.04Å; S114-G117 PolarHBondContact O-N 2.92Å; V115-G117 PolarHBondContact O-N 2.88Å; G117-S121 WeakPolarHBondContact O-CB 3.3Å; G117-S121 PolarHBondContact O-N 2.95Å
118V98.2Very high96.6Very high69 Ų6946.3 Ų46.342%0.41827%0.267SS..Hα-helixtrans-64.2-50.3173.8170.30000110.4S114 V115 I116 Y120 S121S114-V118 WeakPolarHBondContact O-CG2 3.4Å; S114-V118 PolarHBondContact O-N 3.34Å; V115-V118 WeakPolarHBondContact O-CB 3.46Å; V115-V118 PolarHBondContact O-N 2.87Å; V115-V118 VanDerWaalsContact O-N 3.09Å; I116-V118 VanDerWaalsContact C-N 3.34Å; I116-V118 PolarHBondContact O-N 3.35Å; V118-Y120 VanDerWaalsContact C-N 3.33Å; V118-Y120 PolarHBondContact O-N 3.18Å; V118-S121 WeakPolarHBondContact O-CB 3.06Å; V118-S121 PolarHBondContact O-N 3.3Å; V118-S121 VanDerWaalsContact O-N 3.14Å; V118-S121 PolarHBondContact O-OG 2.93Å
119W98.6Very high96.8Very high2 Ų241.1 Ų41.11%0.00826%0.256CS..Hα-helixtrans-57.9-44.3176.2-67.3-30.3000112.5N102 M103 H104 W112 V115 I116 S121 E122 H142 Y143 I146 C173N102-W119 HydrophobicContact CB-CD2 3.93Å; N102-W119 HydrophobicContact CB-CE3 4.12Å; N102-W119 HydrophobicContact CB-CH2 3.96Å; N102-W119 HydrophobicContact CB-CZ2 3.74Å; N102-W119 HydrophobicContact CB-CZ3 4.14Å; M103-W119 PolarHBondContact O-NE1 2.6Å; H104-W119 HydrophobicContact CB-CZ2 4Å; W112-W119 HydrophobicContact CZ3-CH2 4.28Å; V115-W119 HydrophobicContact CG1-CD2 4.12Å; V115-W119 HydrophobicContact CG1-CE3 4.28Å; V115-W119 HydrophobicContact CG1-CH2 3.72Å; V115-W119 HydrophobicContact CG1-CZ2 3.53Å; V115-W119 HydrophobicContact CG1-CZ3 4.1Å; V115-W119 PolarHBondContact O-N 2.81Å; V115-W119 VanDerWaalsContact O-N 3.08Å; I116-W119 HydrophobicContact CB-CE3 4.48Å; I116-W119 HydrophobicContact CG1-CE3 4.13Å; I116-W119 HydrophobicContact CG1-CZ3 4.11Å; I116-W119 PolarHBondContact O-N 3.27Å; W119-S121 VanDerWaalsContact C-N 3.27Å; W119-S121 PolarHBondContact O-N 3.38Å; W119-E122 PolarHBondContact O-N 3.29Å; W119-H142 HydrophobicContact CB-CB 3.63Å; W119-H142 AromaticContact CD1-CD2 3.59Å; W119-H142 AromaticContact CD1-CG 3.52Å; W119-H142 HydrophobicContact CG-CB 3.76Å; W119-H142 AromaticContact NE1-CD2 3.72Å; W119-Y143 PolarHBondContact O-N 2.86Å; W119-I146 HydrophobicContact CB-CD1 3.55Å; W119-I146 HydrophobicContact CE3-CD1 4.43Å; W119-C173 HydrophobicContact CH2-CB 4.1Å; W119-C173 HydrophobicContact CZ3-CB 4.21Å
120Y98.4Very high96.8Very high55 Ų5545.5 Ų45.522%0.21628%0.276CS..Hα-helixtrans-69.8-23.8179.5-169.4-98000113.1L51 I116 V118 E122 S123 Y143 I146 V147L51-Y120 HydrophobicContact CB-CD2 4.12Å; L51-Y120 HydrophobicContact CB-CE2 3.85Å; L51-Y120 HydrophobicContact CD1-CD2 3.76Å; L51-Y120 HydrophobicContact CD1-CE2 4.33Å; L51-Y120 HydrophobicContact CD1-CG 3.97Å; L51-Y120 HydrophobicContact CD2-CD1 3.94Å; L51-Y120 HydrophobicContact CD2-CD2 3.95Å; L51-Y120 HydrophobicContact CD2-CE1 3.88Å; L51-Y120 HydrophobicContact CD2-CE2 3.89Å; L51-Y120 HydrophobicContact CD2-CG 3.96Å; L51-Y120 HydrophobicContact CG-CD2 4.15Å; L51-Y120 HydrophobicContact CG-CE2 4.22Å; L51-Y120 HydrophobicContact CG-CG 4.48Å; I116-Y120 VanDerWaalsContact O-CB 3.3Å; I116-Y120 WeakPolarHBondContact O-CB 3.05Å; I116-Y120 PolarHBondContact O-N 3.02Å; V118-Y120 VanDerWaalsContact C-N 3.33Å; V118-Y120 PolarHBondContact O-N 3.18Å; Y120-E122 PolarHBondContact O-N 2.84Å; Y120-S123 WeakPolarHBondContact O-CB 3.23Å; Y120-S123 PolarHBondContact O-N 3.5Å; Y120-S123 PolarHBondContact O-OG 2.61Å; Y120-Y143 AromaticContact CD2-CD2 3.7Å; Y120-Y143 HydrophobicContact CD2-CD2 3.7Å; Y120-Y143 AromaticContact CD2-CE2 3.95Å; Y120-Y143 HydrophobicContact CD2-CE2 3.95Å; Y120-Y143 AromaticContact CE2-CD2 3.8Å; Y120-Y143 HydrophobicContact CE2-CD2 3.8Å; Y120-Y143 AromaticContact CE2-CE2 3.53Å; Y120-Y143 HydrophobicContact CE2-CE2 3.53Å; Y120-Y143 HydrophobicContact CG-CD2 4.37Å; Y120-I146 HydrophobicContact CD2-CG2 4.24Å; Y120-V147 HydrophobicContact CE2-CG1 4.2Å
121S97.6Very high96.4Very high64 Ų6451.3 Ų51.345%0.44830%0.295SS..Hα-helixtrans-63.3-21.5-179.974.30000113.3G117 V118 W119 S123 T124G117-S121 WeakPolarHBondContact O-CB 3.3Å; G117-S121 PolarHBondContact O-N 2.95Å; V118-S121 WeakPolarHBondContact O-CB 3.06Å; V118-S121 PolarHBondContact O-N 3.3Å; V118-S121 VanDerWaalsContact O-N 3.14Å; V118-S121 PolarHBondContact O-OG 2.93Å; W119-S121 VanDerWaalsContact C-N 3.27Å; W119-S121 PolarHBondContact O-N 3.38Å; S121-S123 PolarHBondContact O-N 2.62Å; S121-S123 VanDerWaalsContact O-N 3.09Å; S121-T124 WeakPolarHBondContact O-CG2 3.47Å; S121-T124 PolarHBondContact O-N 3.36Å; S121-T124 VanDerWaalsContact O-N 3.13Å; S121-T124 PolarHBondContact O-OG1 3.06Å
122E96.5Very high95.4Very high20 Ų2051.8 Ų51.89%0.09330%0.296CS..G310 helixtrans-59.2-19.5171.6-62.9-177.6160.900113.3W119 Y120 T124 S125 F126 T139 T140 D141 H142 Y143W119-E122 PolarHBondContact O-N 3.29Å; Y120-E122 PolarHBondContact O-N 2.84Å; E122-T124 PolarHBondContact O-N 2.03Å; E122-S125 PolarHBondContact O-N 2.86Å; E122-F126 PolarHBondContact O-N 2.72Å; E122-T139 WeakPolarHBondContact CB-O 3.13Å; E122-T139 WeakPolarHBondContact CG-O 3.44Å; E122-T139 WeakPolarHBondContact OE1-CB 3.41Å; E122-T139 PolarHBondContact OE1-OG1 3.18Å; E122-T140 WeakPolarHBondContact OE2-CA 3.25Å; E122-D141 PolarHBondContact OE2-N 2.68Å; E122-H142 IonicContact OE1-CE1 2.94Å; E122-H142 IonicContact OE1-CG 3.66Å; E122-H142 IonicContact OE1-ND1 2.73Å; E122-H142 PolarHBondContact OE1-ND1 3.47Å; E122-H142 WeakPolarHBondContact OE2-CA 3.46Å; E122-H142 VanDerWaalsContact OE2-CB 3.27Å; E122-H142 WeakPolarHBondContact OE2-CB 3.44Å; E122-H142 IonicContact OE2-CG 3.8Å; E122-H142 PolarHBondContact OE2-N 3.22Å; E122-H142 IonicContact OE2-ND1 3.61Å; E122-Y143 PolarHBondContact OE2-N 3.28Å
123S95.8Very high94Very high34 Ų3456.3 Ų56.324%0.23832%0.324CS..G310 helixtrans-51.9-27171.558.20000113.8Y120 S121 S125 F126 Y143Y120-S123 WeakPolarHBondContact O-CB 3.23Å; Y120-S123 PolarHBondContact O-N 3.5Å; Y120-S123 PolarHBondContact O-OG 2.61Å; S121-S123 PolarHBondContact O-N 2.62Å; S121-S123 VanDerWaalsContact O-N 3.09Å; S123-S125 PolarHBondContact O-N 2.89Å; S123-F126 PolarHBondContact O-N 2.7Å; S123-Y143 VanDerWaalsContact CB-CE2 3.47Å
124T94.4Very high92.3Very high123 Ų12360.6 Ų60.676%0.75535%0.348SS*.G310 helixtrans-65.9-21.7178.260.50000113.2S121 E122S121-T124 WeakPolarHBondContact O-CG2 3.47Å; S121-T124 PolarHBondContact O-N 3.36Å; S121-T124 VanDerWaalsContact O-N 3.13Å; S121-T124 PolarHBondContact O-OG1 3.06Å; E122-T124 PolarHBondContact O-N 2.03Å
125S92.9Very high91Very high59 Ų5961.8 Ų61.841%0.41335%0.35SS..G310 helixtrans-105.82.3179.4-54.60000112.4E122 S123E122-S125 PolarHBondContact O-N 2.86Å; S123-S125 PolarHBondContact O-N 2.89Å
126F94Very high89.4Confident25 Ų2569.3 Ų69.311%0.1139%0.39CS..  trans-103.9139.9-178.6-179.9-91000111.4E122 S123 H128 T140 Y143 T144 N186 P188E122-F126 PolarHBondContact O-N 2.72Å; S123-F126 PolarHBondContact O-N 2.7Å; F126-H128 HydrophobicContact CE1-CB 3.93Å; F126-H128 HydrophobicContact CZ-CB 4.48Å; F126-T140 HydrophobicContact CB-CG2 3.89Å; F126-T140 HydrophobicContact CD2-CG2 4.29Å; F126-Y143 HydrophobicContact CB-CD1 3.92Å; F126-Y143 HydrophobicContact CB-CE1 3.91Å; F126-Y143 HydrophobicContact CD1-CD1 4.16Å; F126-Y143 AromaticContact CD1-CE1 3.37Å; F126-Y143 HydrophobicContact CD1-CE1 3.37Å; F126-Y143 HydrophobicContact CD2-CD1 4.24Å; F126-Y143 HydrophobicContact CD2-CE1 4.18Å; F126-Y143 AromaticContact CE1-CE1 3.87Å; F126-Y143 HydrophobicContact CE1-CE1 3.87Å; F126-Y143 AromaticContact CG-CD1 3.83Å; F126-Y143 HydrophobicContact CG-CD1 3.83Å; F126-Y143 AromaticContact CG-CE1 3.54Å; F126-Y143 HydrophobicContact CG-CE1 3.54Å; F126-Y143 HydrophobicContact CZ-CE1 4.47Å; F126-T144 HydrophobicContact CD2-CG2 3.7Å; F126-T144 HydrophobicContact CE2-CG2 3.43Å; F126-T144 VanDerWaalsContact CE2-CG2 3.43Å; F126-T144 HydrophobicContact CZ-CG2 4.17Å; F126-N186 WeakPolarHBondContact CZ-O 3.45Å; F126-P188 HydrophobicContact CZ-CG 3.96Å
127K94.9Very high88.1Confident120 Ų12076.4 Ų76.452%0.52243%0.428SS..  trans-135.2121.4169.5-177.1161.8165.9-146.40109.8G129 E130K127-G129 PolarHBondContact O-N 3.33Å; K127-E130 HydrophobicContact CB-CB 4.22Å; K127-E130 HydrophobicContact CD-CG 4.46Å; K127-E130 WeakPolarHBondContact CD-OE2 3.47Å; K127-E130 WeakPolarHBondContact CE-OE1 3.48Å; K127-E130 VanDerWaalsContact CE-OE2 3.32Å; K127-E130 WeakPolarHBondContact CE-OE2 3.43Å; K127-E130 HydrophobicContact CG-CB 4.3Å; K127-E130 HydrophobicContact CG-CG 4.26Å; K127-E130 IonicContact NZ-OE1 2.6Å; K127-E130 PolarHBondContact NZ-OE1 3.39Å; K127-E130 IonicContact NZ-OE2 2.88Å; K127-E130 PolarHBondContact NZ-OE2 3.25Å; K127-E130 PolarHBondContact O-N 2.96Å
128H96.3Very high87.2Confident34 Ų3477.4 Ų77.416%0.15742%0.424CS..THydrogen-bonded Turntrans-59.3132.9-176.2-172.4-71000111.1P57 F126 E130 Y189 T191P57-H128 VanDerWaalsContact CD-CB 3.5Å; P57-H128 HydrophobicContact CG-CB 3.93Å; F126-H128 HydrophobicContact CE1-CB 3.93Å; F126-H128 HydrophobicContact CZ-CB 4.48Å; H128-E130 PolarHBondContact O-N 3.47Å; H128-Y189 AromaticContact CD2-CE2 3.54Å; H128-Y189 AromaticContact CD2-CZ 3.57Å; H128-Y189 AromaticContact NE2-CD2 3.91Å; H128-Y189 AromaticContact NE2-CE2 3.79Å; H128-Y189 PolarHBondContact NE2-O 3.24Å; H128-T191 WeakPolarHBondContact CE1-CG2 3.15Å
129G95.6Very high86.7Confident30 Ų3077.5 Ų77.531%0.30943%0.425SS..THydrogen-bonded Turntrans80.3-10-176.800000114.3K127 N186K127-G129 PolarHBondContact O-N 3.33Å; G129-N186 PolarHBondContact N-O 2.82Å; G129-N186 PolarHBondContact O-ND2 2.95Å
130E93.8Very high86.5Confident99 Ų9977.6 Ų77.646%0.46343%0.425SS..SBendtrans-107.2128.6179.3-67.2-176.2-168.300110.7K127 H128 T132K127-E130 HydrophobicContact CB-CB 4.22Å; K127-E130 HydrophobicContact CD-CG 4.46Å; K127-E130 WeakPolarHBondContact CD-OE2 3.47Å; K127-E130 WeakPolarHBondContact CE-OE1 3.48Å; K127-E130 VanDerWaalsContact CE-OE2 3.32Å; K127-E130 WeakPolarHBondContact CE-OE2 3.43Å; K127-E130 HydrophobicContact CG-CB 4.3Å; K127-E130 HydrophobicContact CG-CG 4.26Å; K127-E130 IonicContact NZ-OE1 2.6Å; K127-E130 PolarHBondContact NZ-OE1 3.39Å; K127-E130 IonicContact NZ-OE2 2.88Å; K127-E130 PolarHBondContact NZ-OE2 3.25Å; K127-E130 PolarHBondContact O-N 2.96Å; H128-E130 PolarHBondContact O-N 3.47Å; E130-T132 PolarHBondContact O-N 2.77Å
131W87.6Confident86.4Confident150 Ų15078 Ų7857%0.56843%0.431SS*.PPolyproline II helixtrans-65.8130.6172-69.1102.6000109.6P182 K185 N186W131-P182 VanDerWaalsContact CH2-O 3.31Å; W131-P182 WeakPolarHBondContact CH2-O 3.31Å; W131-K185 HydrophobicContact CZ3-CB 4.28Å; W131-N186 HydrophobicContact CD2-CB 3.96Å; W131-N186 HydrophobicContact CE3-CB 4.04Å; W131-N186 HydrophobicContact CG-CB 4.44Å; W131-N186 HydrophobicContact CH2-CB 4.46Å; W131-N186 HydrophobicContact CZ2-CB 4.4Å; W131-N186 VanDerWaalsContact CZ2-OD1 3.29Å; W131-N186 WeakPolarHBondContact CZ2-OD1 2.99Å; W131-N186 HydrophobicContact CZ3-CB 4.29Å
132T76.9Confident86.4Confident49 Ų4977.3 Ų77.330%0.30142%0.421SS..PPolyproline II helixtrans-59.4147.8173.948.20000110.2E130 T140E130-T132 PolarHBondContact O-N 2.77Å; T132-T140 HydrophobicContact CG2-CG2 3.67Å
133T68.8Low86.5Confident94 Ų9476.8 Ų76.858%0.57742%0.418SS*.PPolyproline II helixtrans-57.2149.8175.750.80000110.8D135T133-D135 PolarHBondContact O-N 2.79Å
134T63.1Low86.6Confident146 Ų14675.2 Ų75.290%0.89641%0.407SS*.SBendtrans-7331.2176.157.80000113
135D71.1Confident86.8Confident86 Ų8669.4 Ų69.446%0.4637%0.371SS..  trans-87.3115.5176.1-165.1-16.1000107.7T133 D137 I138T133-D135 PolarHBondContact O-N 2.79Å; D135-D137 PolarHBondContact O-N 2.8Å; D135-D137 PolarHBondContact OD1-N 2.88Å; D135-I138 HydrophobicContact CB-CD1 4.2Å; D135-I138 HydrophobicContact CB-CG1 4.29Å; D135-I138 PolarHBondContact O-N 2.78Å
136D65.4Low87.1Confident158 Ų15866.6 Ų66.685%0.84535%0.352SS*.THydrogen-bonded Turntrans-60.6-17.5-174.8-65.9-29.5000112.5
137D71.6Confident87.3Confident150 Ų15065.4 Ų65.480%0.80235%0.346SS*.THydrogen-bonded Turntrans-85.4-6.8179-74.3-22.8000113.8D135D135-D137 PolarHBondContact O-N 2.8Å; D135-D137 PolarHBondContact OD1-N 2.88Å
138I80.2Confident87.5Confident58 Ų5860.7 Ų60.730%0.29733%0.325SS..  trans-106.7106.3-178.9-59.7179.4000110.5D135D135-I138 HydrophobicContact CB-CD1 4.2Å; D135-I138 HydrophobicContact CB-CG1 4.29Å; D135-I138 PolarHBondContact O-N 2.78Å
139T87.8Confident87.6Confident72 Ų7259.2 Ų59.244%0.44232%0.319SS..  trans-101.5140173.961.10000111.1E122E122-T139 WeakPolarHBondContact CB-O 3.13Å; E122-T139 WeakPolarHBondContact CG-O 3.44Å; E122-T139 WeakPolarHBondContact OE1-CB 3.41Å; E122-T139 PolarHBondContact OE1-OG1 3.18Å
140T94.7Very high87.7Confident3 Ų358.6 Ų58.62%0.01831%0.309CS..  trans-128-1172.456.20000113.7E122 F126 T132 H142 Y143 T144E122-T140 WeakPolarHBondContact OE2-CA 3.25Å; F126-T140 HydrophobicContact CB-CG2 3.89Å; F126-T140 HydrophobicContact CD2-CG2 4.29Å; T132-T140 HydrophobicContact CG2-CG2 3.67Å; T140-H142 PolarHBondContact O-N 2.94Å; T140-Y143 PolarHBondContact O-N 3.17Å; T140-T144 WeakPolarHBondContact O-CG2 3.35Å; T140-T144 PolarHBondContact O-N 2.77Å; T140-T144 PolarHBondContact O-OG1 3.15Å; T140-T144 VanDerWaalsContact O-OG1 3.09Å
141D94.9Very high88Confident65 Ų6553.9 Ų53.935%0.34829%0.287SS..Hα-helixtrans-61.8-40.8-170-60.841.7000112.2E122 T144 Q145 N180 K185E122-D141 PolarHBondContact OE2-N 2.68Å; D141-T144 WeakPolarHBondContact CA-OG1 3.24Å; D141-T144 PolarHBondContact O-OG1 2.8Å; D141-Q145 VanDerWaalsContact O-CB 3.28Å; D141-Q145 WeakPolarHBondContact O-CB 3.41Å; D141-Q145 PolarHBondContact O-N 2.88Å; D141-N180 PolarHBondContact O-ND2 2.94Å; D141-K185 WeakPolarHBondContact OD1-CE 3.07Å; D141-K185 IonicContact OD1-NZ 3.43Å; D141-K185 PolarHBondContact OD1-NZ 3.15Å; D141-K185 IonicContact OD2-NZ 3.72Å; D141-K185 PolarHBondContact OD2-NZ 2.02Å
142H97.8Very high88.5Confident49 Ų4948 Ų4823%0.22727%0.265CS..Hα-helixtrans-70.3-41.5179.9-54.4107.4000110.4N102 W119 E122 T140 I146N102-H142 PolarHBondContact ND2-O 2.89Å; N102-H142 VanDerWaalsContact ND2-O 3.09Å; N102-H142 WeakPolarHBondContact OD1-CA 3.3Å; W119-H142 HydrophobicContact CB-CB 3.63Å; W119-H142 AromaticContact CD1-CD2 3.59Å; W119-H142 AromaticContact CD1-CG 3.52Å; W119-H142 HydrophobicContact CG-CB 3.76Å; W119-H142 AromaticContact NE1-CD2 3.72Å; E122-H142 IonicContact OE1-CE1 2.94Å; E122-H142 IonicContact OE1-CG 3.66Å; E122-H142 IonicContact OE1-ND1 2.73Å; E122-H142 PolarHBondContact OE1-ND1 3.47Å; E122-H142 WeakPolarHBondContact OE2-CA 3.46Å; E122-H142 VanDerWaalsContact OE2-CB 3.27Å; E122-H142 WeakPolarHBondContact OE2-CB 3.44Å; E122-H142 IonicContact OE2-CG 3.8Å; E122-H142 PolarHBondContact OE2-N 3.22Å; E122-H142 IonicContact OE2-ND1 3.61Å; T140-H142 PolarHBondContact O-N 2.94Å; H142-I146 WeakPolarHBondContact O-CG1 3.28Å; H142-I146 PolarHBondContact O-N 3.18Å; H142-I146 VanDerWaalsContact O-N 3.14Å
143Y98.4Very high89.5Confident9 Ų947.2 Ų47.24%0.03526%0.259CS..Hα-helixtrans-62.5-52.4174.5164-100.5000111.7W119 Y120 E122 S123 F126 T140 Q145 I146 V147W119-Y143 PolarHBondContact O-N 2.86Å; Y120-Y143 AromaticContact CD2-CD2 3.7Å; Y120-Y143 HydrophobicContact CD2-CD2 3.7Å; Y120-Y143 AromaticContact CD2-CE2 3.95Å; Y120-Y143 HydrophobicContact CD2-CE2 3.95Å; Y120-Y143 AromaticContact CE2-CD2 3.8Å; Y120-Y143 HydrophobicContact CE2-CD2 3.8Å; Y120-Y143 AromaticContact CE2-CE2 3.53Å; Y120-Y143 HydrophobicContact CE2-CE2 3.53Å; Y120-Y143 HydrophobicContact CG-CD2 4.37Å; E122-Y143 PolarHBondContact OE2-N 3.28Å; S123-Y143 VanDerWaalsContact CB-CE2 3.47Å; F126-Y143 HydrophobicContact CB-CD1 3.92Å; F126-Y143 HydrophobicContact CB-CE1 3.91Å; F126-Y143 HydrophobicContact CD1-CD1 4.16Å; F126-Y143 AromaticContact CD1-CE1 3.37Å; F126-Y143 HydrophobicContact CD1-CE1 3.37Å; F126-Y143 HydrophobicContact CD2-CD1 4.24Å; F126-Y143 HydrophobicContact CD2-CE1 4.18Å; F126-Y143 AromaticContact CE1-CE1 3.87Å; F126-Y143 HydrophobicContact CE1-CE1 3.87Å; F126-Y143 AromaticContact CG-CD1 3.83Å; F126-Y143 HydrophobicContact CG-CD1 3.83Å; F126-Y143 AromaticContact CG-CE1 3.54Å; F126-Y143 HydrophobicContact CG-CE1 3.54Å; F126-Y143 HydrophobicContact CZ-CE1 4.47Å; T140-Y143 PolarHBondContact O-N 3.17Å; Y143-Q145 PolarHBondContact O-N 3.01Å; Y143-I146 WeakPolarHBondContact O-CB 3.49Å; Y143-I146 PolarHBondContact O-N 3.06Å; Y143-V147 HydrophobicContact CD1-CG2 4.39Å; Y143-V147 HydrophobicContact CD2-CG1 4.33Å; Y143-V147 HydrophobicContact CE1-CG2 3.86Å; Y143-V147 HydrophobicContact CE2-CG1 3.77Å; Y143-V147 HydrophobicContact CE2-CG2 4.08Å; Y143-V147 WeakPolarHBondContact O-CG2 3.45Å; Y143-V147 PolarHBondContact O-N 2.97Å; Y143-V147 VanDerWaalsContact O-N 3.12Å
144T98.3Very high91Very high0 Ų042.7 Ų42.70%023%0.231CC..Hα-helixtrans-60.6-35.7-177.650.20000111.2F126 T140 D141 V147 W148 N180 K185 P188F126-T144 HydrophobicContact CD2-CG2 3.7Å; F126-T144 HydrophobicContact CE2-CG2 3.43Å; F126-T144 VanDerWaalsContact CE2-CG2 3.43Å; F126-T144 HydrophobicContact CZ-CG2 4.17Å; T140-T144 WeakPolarHBondContact O-CG2 3.35Å; T140-T144 PolarHBondContact O-N 2.77Å; T140-T144 PolarHBondContact O-OG1 3.15Å; T140-T144 VanDerWaalsContact O-OG1 3.09Å; D141-T144 WeakPolarHBondContact CA-OG1 3.24Å; D141-T144 PolarHBondContact O-OG1 2.8Å; T144-V147 CarbonylContact O-C 3.59Å; T144-V147 PolarHBondContact O-N 3.43Å; T144-W148 WeakPolarHBondContact O-CA 3.09Å; T144-W148 WeakPolarHBondContact O-CB 3.41Å; T144-W148 PolarHBondContact O-N 2.98Å; T144-N180 VanDerWaalsContact CB-OD1 3.24Å; T144-N180 WeakPolarHBondContact CB-OD1 3.39Å; T144-N180 PolarHBondContact OG1-OD1 3.09Å; T144-K185 HydrophobicContact CG2-CG 4.5Å; T144-P188 HydrophobicContact CG2-CG 4.35Å
145Q98.7Very high92.7Very high2 Ų235.8 Ų35.81%0.00919%0.189CC..Hα-helixtrans-65.5-41.2173.6-177.75891.400112.9D141 Y143 V147 W148 S151 Y175 N180D141-Q145 VanDerWaalsContact O-CB 3.28Å; D141-Q145 WeakPolarHBondContact O-CB 3.41Å; D141-Q145 PolarHBondContact O-N 2.88Å; Y143-Q145 PolarHBondContact O-N 3.01Å; Q145-V147 PolarHBondContact O-N 2.74Å; Q145-W148 PolarHBondContact O-N 2.83Å; Q145-S151 PolarHBondContact NE2-OG 2.92Å; Q145-Y175 HydrophobicContact CG-CD1 4.09Å; Q145-Y175 HydrophobicContact CG-CD2 3.4Å; Q145-Y175 VanDerWaalsContact CG-CD2 3.4Å; Q145-Y175 HydrophobicContact CG-CE1 4.37Å; Q145-Y175 HydrophobicContact CG-CE2 3.76Å; Q145-Y175 HydrophobicContact CG-CG 3.6Å; Q145-N180 PolarHBondContact N-OD1 2.82Å
146I98.9Very high94Very high0 Ų031.7 Ų31.70%017%0.167CC..Hα-helixtrans-58.9-39.7175.5-73.6167.9000110.8L51 R52 I116 W119 Y120 H142 Y143L51-I146 HydrophobicContact CB-CG2 4.37Å; L51-I146 HydrophobicContact CD1-CG2 4.19Å; R52-I146 WeakPolarHBondContact CG-O 3.32Å; R52-I146 PolarHBondContact NH1-O 3.45Å; I116-I146 HydrophobicContact CG2-CD1 4.11Å; W119-I146 HydrophobicContact CB-CD1 3.55Å; W119-I146 HydrophobicContact CE3-CD1 4.43Å; Y120-I146 HydrophobicContact CD2-CG2 4.24Å; H142-I146 WeakPolarHBondContact O-CG1 3.28Å; H142-I146 PolarHBondContact O-N 3.18Å; H142-I146 VanDerWaalsContact O-N 3.14Å; Y143-I146 WeakPolarHBondContact O-CB 3.49Å; Y143-I146 PolarHBondContact O-N 3.06Å
147V98.8Very high95.6Very high0 Ų024.2 Ų24.20%013%0.127CC..THydrogen-bonded Turntrans-100.515.8-176.5-55.30000113.7V55 M62 Y120 Y143 T144 Q145 A149 P188 Y189V55-V147 HydrophobicContact CG1-CB 3.9Å; V55-V147 HydrophobicContact CG1-CG1 3.56Å; M62-V147 HydrophobicContact CE-CB 4.35Å; M62-V147 VanDerWaalsContact CE-O 3.28Å; M62-V147 WeakPolarHBondContact CE-O 3.43Å; Y120-V147 HydrophobicContact CE2-CG1 4.2Å; Y143-V147 HydrophobicContact CD1-CG2 4.39Å; Y143-V147 HydrophobicContact CD2-CG1 4.33Å; Y143-V147 HydrophobicContact CE1-CG2 3.86Å; Y143-V147 HydrophobicContact CE2-CG1 3.77Å; Y143-V147 HydrophobicContact CE2-CG2 4.08Å; Y143-V147 WeakPolarHBondContact O-CG2 3.45Å; Y143-V147 PolarHBondContact O-N 2.97Å; Y143-V147 VanDerWaalsContact O-N 3.12Å; T144-V147 CarbonylContact O-C 3.59Å; T144-V147 PolarHBondContact O-N 3.43Å; Q145-V147 PolarHBondContact O-N 2.74Å; V147-A149 PolarHBondContact O-N 2.94Å; V147-P188 HydrophobicContact CG2-CB 4.17Å; V147-P188 HydrophobicContact CG2-CG 3.89Å; V147-Y189 HydrophobicContact CB-CD1 4.38Å; V147-Y189 HydrophobicContact CB-CE1 4.33Å; V147-Y189 HydrophobicContact CG2-CD1 4.27Å; V147-Y189 HydrophobicContact CG2-CE1 4.06Å; V147-Y189 WeakPolarHBondContact O-CD1 3.46Å
148W98.9Very high96.8Very high21 Ų2117.9 Ų17.98%0.089%0.093CC..  trans-71.5119179.6-159.3-98.2000110.7R52 T144 Q145 T150 S151 G179 N180 D181 P188R52-W148 VanDerWaalsContact CZ-O 3.3Å; R52-W148 PolarHBondContact NH1-O 3.11Å; R52-W148 PolarHBondContact NH2-O 2.98Å; T144-W148 WeakPolarHBondContact O-CA 3.09Å; T144-W148 WeakPolarHBondContact O-CB 3.41Å; T144-W148 PolarHBondContact O-N 2.98Å; Q145-W148 PolarHBondContact O-N 2.83Å; W148-T150 PolarHBondContact NE1-OG1 2.94Å; W148-T150 PolarHBondContact O-N 2.83Å; W148-T150 VanDerWaalsContact O-N 3.15Å; W148-S151 PolarHBondContact O-N 2.77Å; W148-G179 VanDerWaalsContact CD2-CA 3.44Å; W148-N180 VanDerWaalsContact CZ3-N 3.29Å; W148-D181 HydrophobicContact CH2-CB 4.12Å; W148-D181 HydrophobicContact CZ2-CB 3.92Å; W148-P188 CarbonylContact C-O 3.52Å; W148-P188 WeakPolarHBondContact CA-O 3.42Å; W148-P188 HydrophobicContact CD2-CB 4.28Å; W148-P188 HydrophobicContact CE3-CB 3.42Å; W148-P188 VanDerWaalsContact CE3-CB 3.42Å; W148-P188 HydrophobicContact CZ3-CB 3.72Å
149A98.7Very high97.6Very high3 Ų315.6 Ų15.63%0.0258%0.083CC..THydrogen-bonded Turntrans-55.7-39.8-167.900000113.1R52 L63 V147 P188R52-A149 PolarHBondContact NH2-O 2.85Å; L63-A149 WeakPolarHBondContact CB-O 3.28Å; L63-A149 WeakPolarHBondContact CG-O 3.29Å; L63-A149 PolarHBondContact N-O 2.74Å; V147-A149 PolarHBondContact O-N 2.94Å; A149-P188 PolarHBondContact N-O 3.49Å
150T98.3Very high98Very high16 Ų1615.4 Ų15.410%0.0989%0.085CC..THydrogen-bonded Turntrans-89.6-13-171.459.20000113.6W148 Y152 I248 K249W148-T150 PolarHBondContact NE1-OG1 2.94Å; W148-T150 PolarHBondContact O-N 2.83Å; W148-T150 VanDerWaalsContact O-N 3.15Å; T150-Y152 WeakPolarHBondContact O-CD1 3.41Å; T150-Y152 PolarHBondContact O-N 2.93Å; T150-I248 HydrophobicContact CG2-CG2 4.36Å; T150-K249 VanDerWaalsContact CG2-C 3.47Å; T150-K249 WeakPolarHBondContact CG2-OXT 3.34Å
151S98.7Very high97.8Very high0 Ų015.4 Ų15.40%08%0.084CC..  trans-74.696174.2-570000110.2R52 M65 Q145 W148 H177R52-S151 PolarHBondContact NH2-O 3.36Å; M65-S151 WeakPolarHBondContact CE-O 3.24Å; M65-S151 VanDerWaalsContact CG-O 3.28Å; M65-S151 WeakPolarHBondContact CG-O 3.12Å; Q145-S151 PolarHBondContact NE2-OG 2.92Å; W148-S151 PolarHBondContact O-N 2.77Å; S151-H177 WeakPolarHBondContact CA-O 3.18Å; S151-H177 VanDerWaalsContact CB-O 3.31Å; S151-H177 WeakPolarHBondContact CB-O 3.32Å; S151-H177 PolarHBondContact OG-O 2.91Å
152Y98.7Very high97.3Very high27 Ų2723.3 Ų23.311%0.10611%0.109CC..  trans-110.1-9.2-174.576.7-84.4000113.7L63 M65 S66 T150 C176 H177 P210L63-Y152 HydrophobicContact CD1-CD1 4.32Å; L63-Y152 HydrophobicContact CD1-CG 4.4Å; M65-Y152 CarbonylContact C-O 3.46Å; M65-Y152 WeakPolarHBondContact CA-O 3.28Å; S66-Y152 PolarHBondContact N-O 3.47Å; T150-Y152 WeakPolarHBondContact O-CD1 3.41Å; T150-Y152 PolarHBondContact O-N 2.93Å; Y152-C176 PolarHBondContact N-O 2.91Å; Y152-H177 AromaticContact CE1-NE2 3.83Å; Y152-P210 HydrophobicContact CD1-CB 3.68Å; Y152-P210 HydrophobicContact CD2-CB 3.66Å; Y152-P210 HydrophobicContact CD2-CG 3.71Å; Y152-P210 HydrophobicContact CE1-CB 3.87Å; Y152-P210 HydrophobicContact CE2-CB 3.84Å; Y152-P210 HydrophobicContact CE2-CG 3.78Å; Y152-P210 HydrophobicContact CG-CB 3.58Å; Y152-P210 HydrophobicContact CG-CG 4.15Å
153L98.8Very high96.3Very high32 Ų3224.6 Ų24.617%0.16812%0.116CC..EExtended strand (participates in β ladder)trans-112.1140.8171.8-61.9176.5000109.6S66 Y175 C176S66-L153 WeakPolarHBondContact O-CA 3.49Å; L153-Y175 CarbonylContact O-C 3.54Å; L153-Y175 WeakPolarHBondContact O-CA 2.92Å; L153-C176 HydrophobicContact CB-CB 4.01Å; L153-C176 PolarHBondContact N-O 2.83Å; L153-C176 PolarHBondContact O-N 3.24Å
154I98.9Very high95.2Very high0 Ų034.5 Ų34.50%016%0.159CC..EExtended strand (participates in β ladder)trans-136.4137.5172.9-170.1174000110.2I44 V45 H48 S66 W67 S68 C173 H174 Y175I44-I154 HydrophobicContact CG2-CD1 3.96Å; V45-I154 HydrophobicContact CG2-CG2 3.82Å; H48-I154 WeakPolarHBondContact CE1-CD1 3.14Å; S66-I154 PolarHBondContact O-N 3.33Å; W67-I154 CarbonylContact C-O 3.35Å; W67-I154 WeakPolarHBondContact CA-O 3.46Å; W67-I154 HydrophobicContact CE3-CG2 4.48Å; S68-I154 PolarHBondContact N-O 3.15Å; I154-C173 HydrophobicContact CD1-CB 4.33Å; I154-C173 HydrophobicContact CG1-CB 4.42Å; I154-H174 WeakPolarHBondContact CA-O 3.03Å; I154-Y175 HydrophobicContact CD1-CD1 3.93Å; I154-Y175 HydrophobicContact CD1-CE1 3.46Å; I154-Y175 VanDerWaalsContact CD1-CE1 3.46Å; I154-Y175 HydrophobicContact CG1-CD1 4.11Å; I154-Y175 HydrophobicContact CG1-CE1 4.1Å
155G98.9Very high94.1Very high0 Ų038.2 Ų38.20%020%0.197CC..EExtended strand (participates in β ladder)trans-139.9133.8170.900000109.9C173 H174G155-C173 CarbonylContact O-C 3.22Å; G155-C173 WeakPolarHBondContact O-CA 3.32Å; G155-H174 PolarHBondContact N-O 2.96Å; G155-H174 PolarHBondContact O-N 2.7Å
156C98.9Very high93.3Very high0 Ų040.9 Ų40.90%022%0.216CC..EExtended strand (participates in β ladder)trans-132.1159.7-171.8-53.20000112.5T35 I44 W67 W112 V172 C173T35-C156 VanDerWaalsContact CB-O 3.25Å; T35-C156 WeakPolarHBondContact CB-O 3.49Å; T35-C156 HydrophobicContact CG2-CB 4.32Å; T35-C156 WeakPolarHBondContact CG2-O 3.13Å; T35-C156 PolarHBondContact OG1-O 3.34Å; I44-C156 HydrophobicContact CD1-CB 4.07Å; W67-C156 HydrophobicContact CH2-CB 3.91Å; W67-C156 HydrophobicContact CZ3-CB 4.11Å; W112-C156 HydrophobicContact CH2-CB 3.58Å; W112-C156 HydrophobicContact CZ2-CB 4.07Å; W112-C156 HydrophobicContact CZ3-CB 4.02Å; C156-V172 CarbonylContact C-O 3.53Å; C156-V172 WeakPolarHBondContact CA-O 3.39Å; C156-V172 VanDerWaalsContact CB-O 3.3Å; C156-V172 WeakPolarHBondContact CB-O 3.36Å; C156-C173 HydrophobicContact CB-CB 4.08Å; C156-C173 WeakPolarHBondContact CB-SG 3.31Å; C156-C173 VanDerWaalsContact SG-CA 3.6Å; C156-C173 WeakPolarHBondContact SG-CB 3.32Å; C156-C173 CovalentContact SG-SG 2.04Å; C156-C173 PolarHBondContact SG-SG 2.62Å
157A98.6Very high92.8Very high2 Ų244.1 Ų44.12%0.01724%0.237CC..EExtended strand (participates in β ladder)trans-146156.4174.400000111.9A75 R76 W112 Y171 V172A75-A157 VanDerWaalsContact C-CB 3.44Å; A75-A157 HydrophobicContact CB-CB 3.89Å; A75-A157 WeakPolarHBondContact O-CB 3.33Å; R76-A157 HydrophobicContact CB-CB 4.18Å; R76-A157 HydrophobicContact CG-CB 3.7Å; W112-A157 WeakPolarHBondContact CH2-O 3.27Å; A157-Y171 WeakPolarHBondContact O-CA 3.46Å; A157-V172 PolarHBondContact N-O 2.99Å; A157-V172 PolarHBondContact O-N 3.39Å
158I98.1Very high92.5Very high16 Ų1648.2 Ų48.28%0.08225%0.253CS..EExtended strand (participates in β ladder)trans-124.9132.3169.5-172.5-169.9000109.8F30 L33 V34 W112 Y169 L170 Y171F30-I158 HydrophobicContact CD2-CD1 3.77Å; F30-I158 HydrophobicContact CD2-CG1 4.41Å; F30-I158 HydrophobicContact CE2-CB 4.47Å; F30-I158 HydrophobicContact CE2-CD1 3.8Å; F30-I158 HydrophobicContact CE2-CG1 3.93Å; F30-I158 HydrophobicContact CE2-CG2 3.97Å; F30-I158 HydrophobicContact CZ-CG2 4.37Å; L33-I158 HydrophobicContact CB-CD1 4.12Å; L33-I158 HydrophobicContact CB-CG2 4.37Å; L33-I158 HydrophobicContact CD1-CD1 4.09Å; L33-I158 WeakPolarHBondContact O-CG2 3.21Å; V34-I158 HydrophobicContact CG1-CG2 4.36Å; W112-I158 HydrophobicContact CZ2-CB 4.22Å; I158-Y169 HydrophobicContact CD1-CD1 4.43Å; I158-L170 CarbonylContact C-O 3.5Å; I158-L170 VanDerWaalsContact CA-O 3.26Å; I158-L170 WeakPolarHBondContact CA-O 3.33Å; I158-Y171 HydrophobicContact CB-CD1 4.26Å; I158-Y171 HydrophobicContact CB-CE1 4.34Å; I158-Y171 HydrophobicContact CD1-CD1 4.16Å; I158-Y171 HydrophobicContact CD1-CE1 3.45Å; I158-Y171 VanDerWaalsContact CD1-CE1 3.45Å; I158-Y171 HydrophobicContact CD1-CE2 3.98Å; I158-Y171 VanDerWaalsContact CD1-OH 3.28Å; I158-Y171 WeakPolarHBondContact CD1-OH 3.31Å; I158-Y171 HydrophobicContact CG1-CD1 4.03Å; I158-Y171 HydrophobicContact CG1-CD2 4.39Å; I158-Y171 HydrophobicContact CG1-CE1 3.84Å; I158-Y171 HydrophobicContact CG1-CE2 4.16Å; I158-Y171 HydrophobicContact CG1-CG 4.3Å
159A96.7Very high92.3Very high11 Ų1148 Ų489%0.09125%0.252CS..EExtended strand (participates in β ladder)trans-117.1137.217400000111.8S79 Y169 L170S79-A159 WeakPolarHBondContact O-CB 3.39Å; A159-Y169 VanDerWaalsContact O-CA 3.32Å; A159-Y169 WeakPolarHBondContact O-CA 3.34Å; A159-L170 PolarHBondContact N-O 2.88Å; A159-L170 PolarHBondContact O-N 3.18Å
160S94.6Very high92.3Very high68 Ų6847.9 Ų47.948%0.47625%0.251SS..EExtended strand (participates in β ladder)trans-89.7102169.8168.70000109.8R168S160-R168 CarbonylContact C-O 3.59Å
161C92Very high92.3Very high2 Ų247.1 Ų47.11%0.01425%0.246CC..EExtended strand (participates in β ladder)trans-91.8150.7-178-57.30000112.2C82 P167 R168C82-C161 WeakPolarHBondContact CA-SG 3.42Å; C82-C161 HydrophobicContact CB-CB 3.55Å; C82-C161 WeakPolarHBondContact CB-SG 3.47Å; C82-C161 WeakPolarHBondContact SG-CA 3.38Å; C82-C161 WeakPolarHBondContact SG-CB 3.2Å; C82-C161 CovalentContact SG-SG 2.03Å; C82-C161 PolarHBondContact SG-SG 2.79Å; C161-P167 WeakPolarHBondContact O-CA 3.22Å; C161-R168 WeakPolarHBondContact CA-O 3.09Å; C161-R168 HydrophobicContact CB-CB 3.96Å; C161-R168 WeakPolarHBondContact CB-O 3.28Å; C161-R168 PolarHBondContact N-O 3.45Å; C161-R168 PolarHBondContact O-N 3.13Å
162R84.4Confident92.3Very high231 Ų23147.1 Ų47.187%0.87225%0.246SC*.EExtended strand (participates in β ladder)trans-115.395.4167.1-73.8-173.3178.6-1772.8109.2
163Q75.8Confident92.3Very high76 Ų7645.8 Ų45.836%0.35524%0.241SC..EExtended strand (participates in β ladder)trans-101.8124.8174.8-72.2-170.2-2.900110.3C82 G165 S166 R168C82-Q163 PolarHBondContact O-NE2 2.91Å; Q163-G165 PolarHBondContact O-N 2.9Å; Q163-G165 VanDerWaalsContact O-N 3.08Å; Q163-S166 PolarHBondContact N-O 2.82Å; Q163-S166 VanDerWaalsContact N-O 3.1Å; Q163-S166 PolarHBondContact O-N 3.3Å; Q163-R168 HydrophobicContact CB-CG 4.09Å; Q163-R168 HydrophobicContact CG-CG 4.38Å
164K74.9Confident92.3Very high218 Ų21844.4 Ų44.495%0.94823%0.233SC*.THydrogen-bonded Turntrans49.837.7176.1-58.2-179.8-179.3176.70113.5S166K164-S166 VanDerWaalsContact C-N 3.29Å; K164-S166 PolarHBondContact O-N 3.44Å
165G76.4Confident92.3Very high78 Ų7844.4 Ų44.480%0.80423%0.233SC*.THydrogen-bonded Turntrans79.8-0.9179.300000115.9Q163Q163-G165 PolarHBondContact O-N 2.9Å; Q163-G165 VanDerWaalsContact O-N 3.08Å
166S82.4Confident92.3Very high57 Ų5744.4 Ų44.440%0.39923%0.233SC..EExtended strand (participates in β ladder)trans-108142.1176.2-64.50000111.5Q163 K164Q163-S166 PolarHBondContact N-O 2.82Å; Q163-S166 VanDerWaalsContact N-O 3.1Å; Q163-S166 PolarHBondContact O-N 3.3Å; K164-S166 VanDerWaalsContact C-N 3.29Å; K164-S166 PolarHBondContact O-N 3.44Å
167P86.5Confident92.2Very high69 Ų6944.9 Ų44.945%0.44824%0.236SC..EExtended strand (participates in β ladder)trans-65.3140.4172.428.9-33.4000110.2C161 Y169C161-P167 WeakPolarHBondContact O-CA 3.22Å; P167-Y169 HydrophobicContact CB-CE2 4.14Å
168R93.4Very high92.1Very high86 Ų8647.5 Ų47.533%0.32525%0.247SC..EExtended strand (participates in β ladder)trans-136.4149.1173-74.1-65.4-175.1-109.410.2108.2M105 T106 S160 C161 Q163M105-R168 HydrophobicContact SD-CB 3.74Å; M105-R168 HydrophobicContact SD-CG 4.45Å; T106-R168 CarbonylContact O-C 3.53Å; T106-R168 WeakPolarHBondContact O-CA 3.42Å; S160-R168 CarbonylContact C-O 3.59Å; C161-R168 WeakPolarHBondContact CA-O 3.09Å; C161-R168 HydrophobicContact CB-CB 3.96Å; C161-R168 WeakPolarHBondContact CB-O 3.28Å; C161-R168 PolarHBondContact N-O 3.45Å; C161-R168 PolarHBondContact O-N 3.13Å; Q163-R168 HydrophobicContact CB-CG 4.09Å; Q163-R168 HydrophobicContact CG-CG 4.38Å
169Y95.8Very high92Very high16 Ų1647.3 Ų47.36%0.06325%0.25CC..EExtended strand (participates in β ladder)trans-127.4114.8-179.6-62.1-90.7000107.8F30 M105 T106 Y108 P109 I158 A159 P167F30-Y169 HydrophobicContact CB-CE1 4.21Å; F30-Y169 AromaticContact CD2-CD1 3.63Å; F30-Y169 HydrophobicContact CD2-CD1 3.63Å; F30-Y169 AromaticContact CD2-CE1 3.62Å; F30-Y169 HydrophobicContact CD2-CE1 3.62Å; F30-Y169 HydrophobicContact CE2-CD1 4.15Å; F30-Y169 HydrophobicContact CE2-CE1 4.38Å; F30-Y169 HydrophobicContact CG-CE1 4.19Å; M105-Y169 WeakPolarHBondContact CA-O 3.23Å; T106-Y169 PolarHBondContact N-O 2.04Å; T106-Y169 PolarHBondContact O-N 2.71Å; Y108-Y169 VanDerWaalsContact C-CD2 3.42Å; P109-Y169 HydrophobicContact CB-CD1 4.29Å; P109-Y169 HydrophobicContact CB-CE1 4.25Å; P109-Y169 VanDerWaalsContact CD-CE2 3.48Å; P109-Y169 HydrophobicContact CG-CE1 4.39Å; P109-Y169 HydrophobicContact CG-CE2 4.49Å; I158-Y169 HydrophobicContact CD1-CD1 4.43Å; A159-Y169 VanDerWaalsContact O-CA 3.32Å; A159-Y169 WeakPolarHBondContact O-CA 3.34Å; P167-Y169 HydrophobicContact CB-CE2 4.14Å
170L97.4Very high92Very high0 Ų048.4 Ų48.40%025%0.254CS..EExtended strand (participates in β ladder)trans-99124.5179.3175.457.6000108.8D83 M84 M103 M105 I158 A159 V172D83-L170 VanDerWaalsContact O-CD2 3.28Å; D83-L170 WeakPolarHBondContact O-CD2 3.37Å; M84-L170 HydrophobicContact SD-CD1 3.63Å; M103-L170 HydrophobicContact CB-CD1 4.42Å; M103-L170 HydrophobicContact CE-CD1 3.59Å; M103-L170 HydrophobicContact CE-CD2 3.97Å; M103-L170 HydrophobicContact CE-CG 4.34Å; M105-L170 HydrophobicContact CE-CB 3.75Å; M105-L170 HydrophobicContact CE-CD1 3.91Å; M105-L170 HydrophobicContact CE-CD2 4.25Å; M105-L170 HydrophobicContact CE-CG 4.17Å; M105-L170 HydrophobicContact SD-CB 3.86Å; I158-L170 CarbonylContact C-O 3.5Å; I158-L170 VanDerWaalsContact CA-O 3.26Å; I158-L170 WeakPolarHBondContact CA-O 3.33Å; A159-L170 PolarHBondContact N-O 2.88Å; A159-L170 PolarHBondContact O-N 3.18Å; L170-V172 HydrophobicContact CD1-CG2 4.15Å; L170-V172 HydrophobicContact CD2-CG2 4.16Å; L170-V172 HydrophobicContact CG-CG2 3.87Å
171Y98.6Very high91.9Very high0 Ų048.7 Ų48.70%025%0.25CS..EExtended strand (participates in β ladder)trans-105.8132.3172.9-61-106.7000107.4M103 H104 T106 P109 V110 W112 V115 A157 I158M103-Y171 CarbonylContact C-O 3.39Å; M103-Y171 VanDerWaalsContact CA-O 3.27Å; M103-Y171 WeakPolarHBondContact CA-O 3.34Å; H104-Y171 PolarHBondContact N-O 3.27Å; H104-Y171 PolarHBondContact O-N 3.47Å; T106-Y171 HydrophobicContact CG2-CD2 4.45Å; T106-Y171 HydrophobicContact CG2-CE2 3.72Å; P109-Y171 WeakPolarHBondContact CA-OH 3.46Å; V110-Y171 HydrophobicContact CG2-CE2 4.14Å; V110-Y171 PolarHBondContact N-OH 2.9Å; V110-Y171 PolarHBondContact O-OH 3.33Å; W112-Y171 HydrophobicContact CD2-CD1 4.16Å; W112-Y171 HydrophobicContact CE3-CD1 4.04Å; W112-Y171 AromaticContact CH2-CD1 3.77Å; W112-Y171 HydrophobicContact CH2-CD1 3.77Å; W112-Y171 HydrophobicContact CH2-CG 4.39Å; W112-Y171 AromaticContact CZ2-CD1 3.88Å; W112-Y171 HydrophobicContact CZ2-CD1 3.88Å; W112-Y171 AromaticContact CZ3-CD1 3.85Å; W112-Y171 HydrophobicContact CZ3-CD1 3.85Å; W112-Y171 HydrophobicContact CZ3-CG 4.46Å; V115-Y171 HydrophobicContact CB-CD1 4.49Å; V115-Y171 HydrophobicContact CG1-CG 4.27Å; V115-Y171 HydrophobicContact CG2-CD1 3.76Å; V115-Y171 HydrophobicContact CG2-CD2 4.1Å; V115-Y171 HydrophobicContact CG2-CE1 3.86Å; V115-Y171 HydrophobicContact CG2-CE2 4.24Å; V115-Y171 HydrophobicContact CG2-CG 3.9Å; A157-Y171 WeakPolarHBondContact O-CA 3.46Å; I158-Y171 HydrophobicContact CB-CD1 4.26Å; I158-Y171 HydrophobicContact CB-CE1 4.34Å; I158-Y171 HydrophobicContact CD1-CD1 4.16Å; I158-Y171 HydrophobicContact CD1-CE1 3.45Å; I158-Y171 VanDerWaalsContact CD1-CE1 3.45Å; I158-Y171 HydrophobicContact CD1-CE2 3.98Å; I158-Y171 VanDerWaalsContact CD1-OH 3.28Å; I158-Y171 WeakPolarHBondContact CD1-OH 3.31Å; I158-Y171 HydrophobicContact CG1-CD1 4.03Å; I158-Y171 HydrophobicContact CG1-CD2 4.39Å; I158-Y171 HydrophobicContact CG1-CE1 3.84Å; I158-Y171 HydrophobicContact CG1-CE2 4.16Å; I158-Y171 HydrophobicContact CG1-CG 4.3Å
172V98.7Very high91.9Very high0 Ų053.8 Ų53.80%028%0.283CS..EExtended strand (participates in β ladder)trans-132.1133.6177.7-177.40000107.7A75 F78 E101 N102 M103 C156 A157 L170A75-V172 HydrophobicContact CB-CB 4.31Å; A75-V172 HydrophobicContact CB-CG1 4.05Å; F78-V172 HydrophobicContact CD1-CG1 4.15Å; F78-V172 HydrophobicContact CD1-CG2 4.17Å; E101-V172 HydrophobicContact CG-CG1 4.24Å; E101-V172 WeakPolarHBondContact OE2-CG1 3.23Å; N102-V172 WeakPolarHBondContact O-CA 3.49Å; M103-V172 HydrophobicContact CE-CG2 4.3Å; M103-V172 HydrophobicContact CG-CG2 4.33Å; C156-V172 CarbonylContact C-O 3.53Å; C156-V172 WeakPolarHBondContact CA-O 3.39Å; C156-V172 VanDerWaalsContact CB-O 3.3Å; C156-V172 WeakPolarHBondContact CB-O 3.36Å; A157-V172 PolarHBondContact N-O 2.99Å; A157-V172 PolarHBondContact O-N 3.39Å; L170-V172 HydrophobicContact CD1-CG2 4.15Å; L170-V172 HydrophobicContact CD2-CG2 4.16Å; L170-V172 HydrophobicContact CG-CG2 3.87Å
173C98.9Very high92.3Very high0 Ų050.4 Ų50.40%028%0.278CS..EExtended strand (participates in β ladder)trans-126.6131.1166.5-75.60000109.2E101 N102 W112 W119 I154 G155 C156 Y175E101-C173 CarbonylContact C-O 3.46Å; E101-C173 VanDerWaalsContact CA-O 3.32Å; E101-C173 WeakPolarHBondContact CA-O 3.5Å; N102-C173 PolarHBondContact N-O 3.36Å; N102-C173 PolarHBondContact O-N 3.11Å; W112-C173 VanDerWaalsContact CZ3-SG 3.56Å; W119-C173 HydrophobicContact CH2-CB 4.1Å; W119-C173 HydrophobicContact CZ3-CB 4.21Å; I154-C173 HydrophobicContact CD1-CB 4.33Å; I154-C173 HydrophobicContact CG1-CB 4.42Å; G155-C173 CarbonylContact O-C 3.22Å; G155-C173 WeakPolarHBondContact O-CA 3.32Å; C156-C173 HydrophobicContact CB-CB 4.08Å; C156-C173 WeakPolarHBondContact CB-SG 3.31Å; C156-C173 VanDerWaalsContact SG-CA 3.6Å; C156-C173 WeakPolarHBondContact SG-CB 3.32Å; C156-C173 CovalentContact SG-SG 2.04Å; C156-C173 PolarHBondContact SG-SG 2.62Å; C173-Y175 HydrophobicContact CB-CD2 4.48Å; C173-Y175 HydrophobicContact CB-CE2 3.64Å; C173-Y175 WeakPolarHBondContact O-CD2 3.39Å; C173-Y175 VanDerWaalsContact O-CE2 3.3Å; C173-Y175 WeakPolarHBondContact O-CE2 3.43Å
174H98.9Very high93.1Very high2 Ų249.6 Ų49.61%0.00928%0.278CS..EExtended strand (participates in β ladder)trans-101.7136.5170.1-65.6163.9000109.9A71 A75 C99 G100 E101 I154 G155A71-H174 HydrophobicContact CB-CB 4.3Å; A75-H174 PolarHBondContact N-ND1 3.46Å; C99-H174 HydrophobicContact CB-CB 4.14Å; G100-H174 VanDerWaalsContact O-CA 3.23Å; G100-H174 WeakPolarHBondContact O-CA 3.25Å; E101-H174 IonicContact OE2-CD2 2.85Å; E101-H174 PolarHBondContact OE2-CD2 2.76Å; E101-H174 IonicContact OE2-CE1 2.77Å; E101-H174 IonicContact OE2-NE2 3.2Å; E101-H174 PolarHBondContact OE2-NE2 2.89Å; I154-H174 WeakPolarHBondContact CA-O 3.03Å; G155-H174 PolarHBondContact N-O 2.96Å; G155-H174 PolarHBondContact O-N 2.7Å
175Y98.8Very high94Very high0 Ų041 Ų410%024%0.241CC..EExtended strand (participates in β ladder)trans-122.8123.3-173-58.3-99.8000109.7H48 M65 C99 G100 N102 Q145 L153 I154 C173 H177H48-Y175 AromaticContact CD2-CE1 3.87Å; H48-Y175 AromaticContact NE2-CE1 3.61Å; H48-Y175 AromaticContact NE2-CZ 3.95Å; H48-Y175 PolarHBondContact NE2-OH 2.6Å; M65-Y175 HydrophobicContact CE-CD1 3.71Å; M65-Y175 HydrophobicContact CE-CE1 4.26Å; C99-Y175 CarbonylContact C-O 3.5Å; C99-Y175 WeakPolarHBondContact CA-O 3.32Å; C99-Y175 WeakPolarHBondContact CB-O 3.44Å; G100-Y175 PolarHBondContact N-O 2.88Å; G100-Y175 PolarHBondContact O-N 2.93Å; N102-Y175 HydrophobicContact CB-CE2 3.68Å; N102-Y175 PolarHBondContact ND2-OH 3.37Å; N102-Y175 VanDerWaalsContact ND2-OH 3.15Å; Q145-Y175 HydrophobicContact CG-CD1 4.09Å; Q145-Y175 HydrophobicContact CG-CD2 3.4Å; Q145-Y175 VanDerWaalsContact CG-CD2 3.4Å; Q145-Y175 HydrophobicContact CG-CE1 4.37Å; Q145-Y175 HydrophobicContact CG-CE2 3.76Å; Q145-Y175 HydrophobicContact CG-CG 3.6Å; L153-Y175 CarbonylContact O-C 3.54Å; L153-Y175 WeakPolarHBondContact O-CA 2.92Å; I154-Y175 HydrophobicContact CD1-CD1 3.93Å; I154-Y175 HydrophobicContact CD1-CE1 3.46Å; I154-Y175 VanDerWaalsContact CD1-CE1 3.46Å; I154-Y175 HydrophobicContact CG1-CD1 4.11Å; I154-Y175 HydrophobicContact CG1-CE1 4.1Å; C173-Y175 HydrophobicContact CB-CD2 4.48Å; C173-Y175 HydrophobicContact CB-CE2 3.64Å; C173-Y175 WeakPolarHBondContact O-CD2 3.39Å; C173-Y175 VanDerWaalsContact O-CE2 3.3Å; C173-Y175 WeakPolarHBondContact O-CE2 3.43Å; Y175-H177 CarbonylContact C-O 3.49Å; Y175-H177 CarbonylContact O-C 3.55Å; Y175-H177 VanDerWaalsContact O-O 3.13Å
176C98.3Very high94.9Very high0 Ų038.1 Ų38.10%021%0.207CC..EExtended strand (participates in β ladder)trans-127.6130.6-173.6-290000111.2L94 T97 C99 Y152 L153L94-C176 HydrophobicContact CD1-CB 4.33Å; T97-C176 HydrophobicContact CG2-CB 3.71Å; C99-C176 HydrophobicContact CB-CB 3.98Å; C99-C176 WeakPolarHBondContact CB-SG 3.1Å; C99-C176 WeakPolarHBondContact SG-CB 3.29Å; C99-C176 CovalentContact SG-SG 2.03Å; C99-C176 PolarHBondContact SG-SG 3.06Å; Y152-C176 PolarHBondContact N-O 2.91Å; L153-C176 HydrophobicContact CB-CB 4.01Å; L153-C176 PolarHBondContact N-O 2.83Å; L153-C176 PolarHBondContact O-N 3.24Å
177H96.8Very high95.6Very high11 Ų1140.4 Ų40.45%0.05121%0.211CC..SBendcis-57.2157.4-7-58.3-65.6000112.5T97 S151 Y152 Y175 C211 Y214T97-H177 VanDerWaalsContact CB-ND1 3.3Å; T97-H177 WeakPolarHBondContact CB-ND1 3.46Å; T97-H177 WeakPolarHBondContact OG1-CA 3.44Å; T97-H177 PolarHBondContact OG1-CE1 3.06Å; T97-H177 PolarHBondContact OG1-ND1 2.86Å; S151-H177 WeakPolarHBondContact CA-O 3.18Å; S151-H177 VanDerWaalsContact CB-O 3.31Å; S151-H177 WeakPolarHBondContact CB-O 3.32Å; S151-H177 PolarHBondContact OG-O 2.91Å; Y152-H177 AromaticContact CE1-NE2 3.83Å; Y175-H177 CarbonylContact C-O 3.49Å; Y175-H177 CarbonylContact O-C 3.55Å; Y175-H177 VanDerWaalsContact O-O 3.13Å; H177-C211 PolarHBondContact NE2-O 3.32Å; H177-C211 VanDerWaalsContact NE2-O 3.17Å; H177-Y214 AromaticContact CE1-CD2 3.84Å; H177-Y214 AromaticContact ND1-CD2 3.32Å; H177-Y214 VanDerWaalsContact ND1-CD2 3.32Å; H177-Y214 WeakPolarHBondContact ND1-CD2 3.41Å
178E96.1Very high96.1Very high56 Ų5637.3 Ų37.326%0.26219%0.191SC..  trans-57.8142.7172.673.4-69.9175.700111.2F98 G100 Y214F98-E178 VanDerWaalsContact CB-OE2 3.25Å; F98-E178 WeakPolarHBondContact CB-OE2 3.5Å; F98-E178 PolarHBondContact O-N 3.42Å; G100-E178 VanDerWaalsContact N-CB 3.34Å; E178-Y214 WeakPolarHBondContact OE1-CE2 3.48Å; E178-Y214 PolarHBondContact OE1-OH 3.16Å; E178-Y214 WeakPolarHBondContact OE2-CE2 3.42Å
179G96.9Very high96.4Very high13 Ų1333.5 Ų33.513%0.13418%0.176CC..  trans-102.8-165.4172.200000112.4W148 D181W148-G179 VanDerWaalsContact CD2-CA 3.44Å; G179-D181 VanDerWaalsContact C-N 3.3Å; G179-D181 PolarHBondContact O-N 2.9Å
180N96.5Very high96.5Very high34 Ų3439.3 Ų39.318%0.18220%0.202CC..  trans58.339173.8-60.9-16.3000113.8D141 T144 Q145 W148 P182 K185D141-N180 PolarHBondContact O-ND2 2.94Å; T144-N180 VanDerWaalsContact CB-OD1 3.24Å; T144-N180 WeakPolarHBondContact CB-OD1 3.39Å; T144-N180 PolarHBondContact OG1-OD1 3.09Å; Q145-N180 PolarHBondContact N-OD1 2.82Å; W148-N180 VanDerWaalsContact CZ3-N 3.29Å; N180-P182 WeakPolarHBondContact O-CD 3.46Å; N180-P182 VanDerWaalsContact O-N 3.17Å; N180-K185 HydrophobicContact CB-CD 4.3Å; N180-K185 HydrophobicContact CB-CG 4.45Å
181D93.5Very high96.6Very high73 Ų7342.9 Ų42.939%0.3922%0.224SC..  trans-51122.7168.5178.6-25.7000109.3W148 G179 E183 T184 K185W148-D181 HydrophobicContact CH2-CB 4.12Å; W148-D181 HydrophobicContact CZ2-CB 3.92Å; G179-D181 VanDerWaalsContact C-N 3.3Å; G179-D181 PolarHBondContact O-N 2.9Å; D181-E183 PolarHBondContact O-N 3.3Å; D181-E183 PolarHBondContact OD1-N 2.92Å; D181-T184 WeakPolarHBondContact CB-OG1 3.45Å; D181-T184 PolarHBondContact O-N 3.46Å; D181-K185 WeakPolarHBondContact O-CA 3.25Å; D181-K185 VanDerWaalsContact O-CB 3.32Å; D181-K185 WeakPolarHBondContact O-CB 3.28Å; D181-K185 PolarHBondContact O-N 3.24Å
182P91.6Very high96.6Very high109 Ų10944.2 Ų44.271%0.70824%0.238SC*.THydrogen-bonded Turntrans-54-27.1-177.5-27.135.1000114.9W131 N180W131-P182 VanDerWaalsContact CH2-O 3.31Å; W131-P182 WeakPolarHBondContact CH2-O 3.31Å; N180-P182 WeakPolarHBondContact O-CD 3.46Å; N180-P182 VanDerWaalsContact O-N 3.17Å
183E91.3Very high96.5Very high161 Ų16148.8 Ų48.875%0.75227%0.265SS*.THydrogen-bonded Turntrans-85.3-23.4-178.2-61.1-167.1174.100113.1D181D181-E183 PolarHBondContact O-N 3.3Å; D181-E183 PolarHBondContact OD1-N 2.92Å
184T93.1Very high96.5Very high58 Ų5851 Ų5136%0.35628%0.28SS..THydrogen-bonded Turntrans-127.59.2-171.961.10000113.8D181 N186 E187D181-T184 WeakPolarHBondContact CB-OG1 3.45Å; D181-T184 PolarHBondContact O-N 3.46Å; T184-N186 PolarHBondContact O-N 2.95Å; T184-N186 VanDerWaalsContact O-N 3.11Å; T184-E187 CarbonylContact O-C 3.53Å; T184-E187 VanDerWaalsContact O-C 3.3Å; T184-E187 WeakPolarHBondContact O-CA 3.36Å; T184-E187 PolarHBondContact O-N 3.05Å
185K93.7Very high96.5Very high39 Ų3951.3 Ų51.317%0.1728%0.282CS..THydrogen-bonded Turntrans-58.1-28.3-175.3-175176.8165.8-1680114.9W131 D141 T144 N180 D181 E187W131-K185 HydrophobicContact CZ3-CB 4.28Å; D141-K185 WeakPolarHBondContact OD1-CE 3.07Å; D141-K185 IonicContact OD1-NZ 3.43Å; D141-K185 PolarHBondContact OD1-NZ 3.15Å; D141-K185 IonicContact OD2-NZ 3.72Å; D141-K185 PolarHBondContact OD2-NZ 2.02Å; T144-K185 HydrophobicContact CG2-CG 4.5Å; N180-K185 HydrophobicContact CB-CD 4.3Å; N180-K185 HydrophobicContact CB-CG 4.45Å; D181-K185 WeakPolarHBondContact O-CA 3.25Å; D181-K185 VanDerWaalsContact O-CB 3.32Å; D181-K185 WeakPolarHBondContact O-CB 3.28Å; D181-K185 PolarHBondContact O-N 3.24Å; K185-E187 PolarHBondContact O-N 3Å
186N94.9Very high96.5Very high17 Ų1757.1 Ų57.19%0.09131%0.309CS..THydrogen-bonded Turntrans-70.1-12.8173.565.1-37.7000113.3F126 G129 W131 T184F126-N186 WeakPolarHBondContact CZ-O 3.45Å; G129-N186 PolarHBondContact N-O 2.82Å; G129-N186 PolarHBondContact O-ND2 2.95Å; W131-N186 HydrophobicContact CD2-CB 3.96Å; W131-N186 HydrophobicContact CE3-CB 4.04Å; W131-N186 HydrophobicContact CG-CB 4.44Å; W131-N186 HydrophobicContact CH2-CB 4.46Å; W131-N186 HydrophobicContact CZ2-CB 4.4Å; W131-N186 VanDerWaalsContact CZ2-OD1 3.29Å; W131-N186 WeakPolarHBondContact CZ2-OD1 2.99Å; W131-N186 HydrophobicContact CZ3-CB 4.29Å; T184-N186 PolarHBondContact O-N 2.95Å; T184-N186 VanDerWaalsContact O-N 3.11Å
187E97.4Very high96.5Very high104 Ų10459.3 Ų59.349%0.48633%0.327SS..  trans-130.167.1180-61.7-171.7166.200111.4T184 K185 Y189T184-E187 CarbonylContact O-C 3.53Å; T184-E187 VanDerWaalsContact O-C 3.3Å; T184-E187 WeakPolarHBondContact O-CA 3.36Å; T184-E187 PolarHBondContact O-N 3.05Å; K185-E187 PolarHBondContact O-N 3Å; E187-Y189 PolarHBondContact O-N 3.3Å
188P98.1Very high96.6Very high4 Ų458.9 Ų58.93%0.02633%0.326CS..SBendtrans-64.5-9.1-174.227.3-36.3000114.4F126 T144 V147 W148 A149F126-P188 HydrophobicContact CZ-CG 3.96Å; T144-P188 HydrophobicContact CG2-CG 4.35Å; V147-P188 HydrophobicContact CG2-CB 4.17Å; V147-P188 HydrophobicContact CG2-CG 3.89Å; W148-P188 CarbonylContact C-O 3.52Å; W148-P188 WeakPolarHBondContact CA-O 3.42Å; W148-P188 HydrophobicContact CD2-CB 4.28Å; W148-P188 HydrophobicContact CE3-CB 3.42Å; W148-P188 VanDerWaalsContact CE3-CB 3.42Å; W148-P188 HydrophobicContact CZ3-CB 3.72Å; A149-P188 PolarHBondContact N-O 3.49Å
189Y98.7Very high96.7Very high6 Ų661.4 Ų61.42%0.02435%0.347CS..SBendtrans-154.9158.8176.853.6-98.9000110.2V55 V56 P57 A59 M62 H128 V147 E187 T191V55-Y189 HydrophobicContact CB-CE1 3.89Å; V55-Y189 HydrophobicContact CG1-CE1 4.07Å; V55-Y189 HydrophobicContact CG2-CE1 4.04Å; V55-Y189 HydrophobicContact CG2-CE2 4.1Å; V56-Y189 PolarHBondContact O-OH 3.35Å; P57-Y189 HydrophobicContact CG-CE2 4.35Å; P57-Y189 WeakPolarHBondContact O-CE2 3.5Å; P57-Y189 PolarHBondContact O-OH 3.49Å; P57-Y189 VanDerWaalsContact O-OH 3.1Å; A59-Y189 HydrophobicContact CB-CD2 3.4Å; A59-Y189 HydrophobicContact CB-CE2 4.02Å; A59-Y189 HydrophobicContact CB-CG 3.72Å; M62-Y189 HydrophobicContact CE-CD1 3.49Å; M62-Y189 VanDerWaalsContact CE-CD1 3.49Å; M62-Y189 HydrophobicContact CE-CE1 4.22Å; M62-Y189 HydrophobicContact CE-CG 3.71Å; H128-Y189 AromaticContact CD2-CE2 3.54Å; H128-Y189 AromaticContact CD2-CZ 3.57Å; H128-Y189 AromaticContact NE2-CD2 3.91Å; H128-Y189 AromaticContact NE2-CE2 3.79Å; H128-Y189 PolarHBondContact NE2-O 3.24Å; V147-Y189 HydrophobicContact CB-CD1 4.38Å; V147-Y189 HydrophobicContact CB-CE1 4.33Å; V147-Y189 HydrophobicContact CG2-CD1 4.27Å; V147-Y189 HydrophobicContact CG2-CE1 4.06Å; V147-Y189 WeakPolarHBondContact O-CD1 3.46Å; E187-Y189 PolarHBondContact O-N 3.3Å; Y189-T191 HydrophobicContact CE2-CG2 4.47Å
190K98.5Very high96.7Very high138 Ų13866.1 Ų66.160%0.638%0.377SS*.  trans-77.5127.4173.6-65-179.3-177.8175.90109.3A59 S60 N61A59-K190 CarbonylContact C-O 3.35Å; A59-K190 VanDerWaalsContact CA-O 3.27Å; A59-K190 WeakPolarHBondContact CA-O 3.47Å; S60-K190 PolarHBondContact N-O 3.37Å; S60-K190 PolarHBondContact OG-O 2.91Å; N61-K190 PolarHBondContact OD1-N 3.44Å
191T98.6Very high96.8Very high75 Ų7567.4 Ų67.446%0.4638%0.384SS..BIsolated β-bridgetrans-71.5148.5175.268.80000110.3P57 P58 S60 H128 Y189P57-T191 HydrophobicContact CB-CG2 4.16Å; P57-T191 HydrophobicContact CG-CG2 3.47Å; P57-T191 VanDerWaalsContact CG-CG2 3.47Å; P58-T191 WeakPolarHBondContact O-CA 3.28Å; S60-T191 PolarHBondContact OG-O 3.08Å; H128-T191 WeakPolarHBondContact CE1-CG2 3.15Å; Y189-T191 HydrophobicContact CE2-CG2 4.47Å
192G98.3Very high97Very high28 Ų2866.8 Ų66.829%0.28939%0.385SS..SBendtrans155.5-168.7176.500000113.2P58P58-G192 CarbonylContact C-O 3.53Å; P58-G192 PolarHBondContact O-N 2.89Å
193V98.6Very high97.4Very high96 Ų9666 Ų6658%0.58237%0.372SS*.SBendtrans-69.1134.1176.8176.70000108.6S60 C195 E196S60-V193 VanDerWaalsContact CA-O 3.31Å; S60-V193 WeakPolarHBondContact CA-O 3.47Å; V193-C195 PolarHBondContact O-N 3.33Å; V193-E196 HydrophobicContact CB-CB 4.16Å; V193-E196 PolarHBondContact N-OE2 3.32Å; V193-E196 VanDerWaalsContact N-OE2 3.15Å; V193-E196 WeakPolarHBondContact O-CB 3.35Å; V193-E196 PolarHBondContact O-N 2.73Å
194P98.8Very high97.7Very high47 Ų4763.1 Ų63.131%0.30536%0.362SS..THydrogen-bonded Turntrans-49.5129.6177.7-30.636.4000113.2P58 A59 E196 K205P58-P194 HydrophobicContact CB-CG 4.14Å; A59-P194 WeakPolarHBondContact O-CA 3.39Å; P194-E196 PolarHBondContact O-N 2.03Å; P194-K205 HydrophobicContact CB-CB 3.83Å; P194-K205 HydrophobicContact CB-CD 4.43Å; P194-K205 HydrophobicContact CB-CG 3.91Å; P194-K205 HydrophobicContact CG-CD 4.41Å; P194-K205 HydrophobicContact CG-CG 4.4Å
195C98.7Very high98Very high8 Ų865.6 Ų65.65%0.05437%0.368CS..THydrogen-bonded Turntrans62.914.4-176.3-58.40000116.9S60 V193 A197 C198 C202S60-C195 CarbonylContact O-C 3.58Å; S60-C195 WeakPolarHBondContact O-CA 3.07Å; S60-C195 PolarHBondContact O-N 3.48Å; V193-C195 PolarHBondContact O-N 3.33Å; C195-A197 PolarHBondContact O-N 3.38Å; C195-C198 VanDerWaalsContact CA-SG 3.51Å; C195-C198 VanDerWaalsContact CB-SG 3.58Å; C195-C198 CarbonylContact O-C 3.44Å; C195-C198 VanDerWaalsContact O-C 3.22Å; C195-C198 PolarHBondContact O-N 3.13Å; C195-C202 HydrophobicContact CB-CB 3.41Å; C195-C202 VanDerWaalsContact CB-CB 3.41Å; C195-C202 WeakPolarHBondContact CB-SG 3.2Å; C195-C202 WeakPolarHBondContact SG-CB 3.25Å; C195-C202 CovalentContact SG-SG 2.03Å; C195-C202 PolarHBondContact SG-SG 3.46Å
196E98.6Very high98.2Very high123 Ų12363.8 Ų63.858%0.57536%0.36SS*.THydrogen-bonded Turntrans-58.9-31.7176.2179.2172.9-154.700112.6S60 V193 P194 C198S60-E196 PolarHBondContact O-N 3.23Å; V193-E196 HydrophobicContact CB-CB 4.16Å; V193-E196 PolarHBondContact N-OE2 3.32Å; V193-E196 VanDerWaalsContact N-OE2 3.15Å; V193-E196 WeakPolarHBondContact O-CB 3.35Å; V193-E196 PolarHBondContact O-N 2.73Å; P194-E196 PolarHBondContact O-N 2.03Å; E196-C198 VanDerWaalsContact C-N 3.29Å; E196-C198 PolarHBondContact O-N 3.17Å
197A98.3Very high98.4Very high46 Ų4663 Ų6338%0.3836%0.356SS..THydrogen-bonded Turntrans-79.6-8.1175.900000113.7S60 N61 C195 I248S60-A197 WeakPolarHBondContact O-CB 3.49Å; S60-A197 PolarHBondContact O-N 3.31Å; S60-A197 VanDerWaalsContact O-N 3.15Å; N61-A197 HydrophobicContact CB-CB 3.8Å; C195-A197 PolarHBondContact O-N 3.38Å; A197-I248 HydrophobicContact CB-CD1 3.94Å
198C98.4Very high98.5Very high2 Ų260.9 Ų60.91%0.01435%0.35CS..  trans-144.853.8-173.761.90000112.3C195 E196 S200 N201 C207 N209 I248C195-C198 VanDerWaalsContact CA-SG 3.51Å; C195-C198 VanDerWaalsContact CB-SG 3.58Å; C195-C198 CarbonylContact O-C 3.44Å; C195-C198 VanDerWaalsContact O-C 3.22Å; C195-C198 PolarHBondContact O-N 3.13Å; E196-C198 VanDerWaalsContact C-N 3.29Å; E196-C198 PolarHBondContact O-N 3.17Å; C198-S200 PolarHBondContact O-N 2.5Å; C198-S200 VanDerWaalsContact O-N 3.09Å; C198-N201 HydrophobicContact CB-CB 4.42Å; C198-N201 CarbonylContact O-C 3.49Å; C198-N201 PolarHBondContact O-N 2.86Å; C198-C207 HydrophobicContact CB-CB 3.68Å; C198-C207 WeakPolarHBondContact CB-SG 3.08Å; C198-C207 WeakPolarHBondContact SG-CA 3.25Å; C198-C207 WeakPolarHBondContact SG-CB 3.25Å; C198-C207 CovalentContact SG-SG 2.02Å; C198-C207 PolarHBondContact SG-SG 3.44Å; C198-N209 VanDerWaalsContact CB-OD1 3.28Å; C198-N209 WeakPolarHBondContact CB-OD1 3.07Å; C198-I248 HydrophobicContact CB-CD1 4.33Å
199P97.6Very high98.5Very high108 Ų10861.4 Ų61.470%0.70135%0.352SS*.THydrogen-bonded Turntrans-60.4-31.1-167.423.8-35.1000114.1
200S97.8Very high98.5Very high112 Ų11262.7 Ų62.778%0.78336%0.362SS*.THydrogen-bonded Turntrans-90-7.1178.5-55.10000113.9C198C198-S200 PolarHBondContact O-N 2.5Å; C198-S200 VanDerWaalsContact O-N 3.09Å
201N98.4Very high98.4Very high61 Ų6156.1 Ų56.133%0.32633%0.333SS..SBendtrans-133.157.8-171.4-66.2-67000109.8C198 C207 T208 N209C198-N201 HydrophobicContact CB-CB 4.42Å; C198-N201 CarbonylContact O-C 3.49Å; C198-N201 PolarHBondContact O-N 2.86Å; N201-C207 CarbonylContact O-C 3.38Å; N201-C207 VanDerWaalsContact O-CA 3.25Å; N201-C207 WeakPolarHBondContact O-CA 3.35Å; N201-T208 PolarHBondContact O-N 3.43Å; N201-T208 PolarHBondContact O-OG1 3.19Å; N201-N209 HydrophobicContact CB-CB 3.65Å; N201-N209 WeakPolarHBondContact CB-OD1 3.45Å
202C98.6Very high98.2Very high61 Ų6156.6 Ų56.641%0.41233%0.332SS..EExtended strand (participates in β ladder)trans-123.6129.5-175.7-177.60000111.2C195 L206C195-C202 HydrophobicContact CB-CB 3.41Å; C195-C202 VanDerWaalsContact CB-CB 3.41Å; C195-C202 WeakPolarHBondContact CB-SG 3.2Å; C195-C202 WeakPolarHBondContact SG-CB 3.25Å; C195-C202 CovalentContact SG-SG 2.03Å; C195-C202 PolarHBondContact SG-SG 3.46Å; C202-L206 WeakPolarHBondContact CA-O 3.49Å
203E98.6Very high98.1Very high92 Ų9259.1 Ų59.143%0.4333%0.333SS..EExtended strand (participates in β ladder)trans-130.9112.5171.5-169-164.8128.500109.6K64 K205 L206 T208K64-E203 IonicContact NZ-OE1 3.89Å; K64-E203 PolarHBondContact NZ-OE1 3.07Å; K64-E203 IonicContact NZ-OE2 3.46Å; K64-E203 PolarHBondContact NZ-OE2 2.91Å; E203-K205 PolarHBondContact O-N 3.17Å; E203-L206 PolarHBondContact N-O 2.98Å; E203-L206 PolarHBondContact O-N 2.87Å; E203-T208 HydrophobicContact CB-CG2 3.81Å
204D98.3Very high97.8Very high101 Ų10157.1 Ų57.154%0.5432%0.316SS..THydrogen-bonded Turntrans4560.5178.5-17327.8000112.2R53 L206R53-D204 WeakPolarHBondContact CD-O 3.42Å; R53-D204 WeakPolarHBondContact CD-OD2 3.41Å; R53-D204 WeakPolarHBondContact CG-O 3.45Å; R53-D204 IonicContact CZ-OD2 2.92Å; R53-D204 PolarHBondContact NE-O 2.89Å; R53-D204 IonicContact NE-OD2 3.91Å; R53-D204 PolarHBondContact NE-OD2 3.39Å; R53-D204 IonicContact NH2-OD2 2.76Å; D204-L206 PolarHBondContact O-N 2.92Å
205K98.7Very high97.6Very high110 Ų11056.2 Ų56.248%0.47831%0.308SS..THydrogen-bonded Turntrans686.9178.7-54.2177.8-178.1178.80116.4R53 P194 E203R53-K205 HydrophobicContact CG-CB 4.38Å; P194-K205 HydrophobicContact CB-CB 3.83Å; P194-K205 HydrophobicContact CB-CD 4.43Å; P194-K205 HydrophobicContact CB-CG 3.91Å; P194-K205 HydrophobicContact CG-CD 4.41Å; P194-K205 HydrophobicContact CG-CG 4.4Å; E203-K205 PolarHBondContact O-N 3.17Å
206L98.9Very high97.3Very high0 Ų059.4 Ų59.40%032%0.322CS..EExtended strand (participates in β ladder)trans-115.7137.6176.3-58.3175.3000110.9N49 R52 R53 M62 K64 C202 E203 D204N49-L206 HydrophobicContact CB-CD1 3.81Å; N49-L206 WeakPolarHBondContact OD1-CD1 3.37Å; R52-L206 HydrophobicContact CB-CD2 3.88Å; R53-L206 HydrophobicContact CG-CD1 3.83Å; R53-L206 HydrophobicContact CG-CD2 3.88Å; R53-L206 HydrophobicContact CG-CG 3.63Å; M62-L206 HydrophobicContact CB-CD2 4.08Å; M62-L206 HydrophobicContact CG-CD2 3.5Å; M62-L206 CarbonylContact O-C 3.59Å; M62-L206 VanDerWaalsContact O-CA 3.32Å; M62-L206 WeakPolarHBondContact O-CA 3.47Å; K64-L206 HydrophobicContact CB-CB 3.8Å; K64-L206 HydrophobicContact CB-CD1 4.1Å; K64-L206 HydrophobicContact CG-CD1 4.16Å; C202-L206 WeakPolarHBondContact CA-O 3.49Å; E203-L206 PolarHBondContact N-O 2.98Å; E203-L206 PolarHBondContact O-N 2.87Å; D204-L206 PolarHBondContact O-N 2.92Å
207C98.9Very high97Very high1 Ų158 Ų581%0.00731%0.313CS..EExtended strand (participates in β ladder)trans-70143.6172.6-62.80000111.2M62 L63 K64 C198 N201 I248M62-C207 PolarHBondContact O-N 3.38Å; L63-C207 CarbonylContact C-O 3.3Å; L63-C207 WeakPolarHBondContact CA-O 3.4Å; L63-C207 HydrophobicContact CD2-CB 3.81Å; L63-C207 HydrophobicContact CG-CB 4.5Å; K64-C207 PolarHBondContact N-O 3.17Å; C198-C207 HydrophobicContact CB-CB 3.68Å; C198-C207 WeakPolarHBondContact CB-SG 3.08Å; C198-C207 WeakPolarHBondContact SG-CA 3.25Å; C198-C207 WeakPolarHBondContact SG-CB 3.25Å; C198-C207 CovalentContact SG-SG 2.02Å; C198-C207 PolarHBondContact SG-SG 3.44Å; N201-C207 CarbonylContact O-C 3.38Å; N201-C207 VanDerWaalsContact O-CA 3.25Å; N201-C207 WeakPolarHBondContact O-CA 3.35Å; C207-I248 HydrophobicContact CB-CG1 3.98Å
208T98.8Very high96.6Very high59 Ų5965.5 Ų65.536%0.36234%0.337SS..  trans-121.813.9-177.463.60000113.6K64 N201 E203 P210K64-T208 HydrophobicContact CB-CG2 4.39Å; K64-T208 HydrophobicContact CD-CG2 4.27Å; N201-T208 PolarHBondContact O-N 3.43Å; N201-T208 PolarHBondContact O-OG1 3.19Å; E203-T208 HydrophobicContact CB-CG2 3.81Å; T208-P210 VanDerWaalsContact O-CD 3.25Å; T208-P210 WeakPolarHBondContact O-CD 3.3Å
209N98.4Very high96.3Very high15 Ų1567.2 Ų67.28%0.0835%0.346CS..  trans-115.76617958.3-35.4000111.3C198 N201 T246 E247 I248C198-N209 VanDerWaalsContact CB-OD1 3.28Å; C198-N209 WeakPolarHBondContact CB-OD1 3.07Å; N201-N209 HydrophobicContact CB-CB 3.65Å; N201-N209 WeakPolarHBondContact CB-OD1 3.45Å; N209-T246 PolarHBondContact ND2-O 2.89Å; N209-E247 CarbonylContact O-C 3.55Å; N209-E247 VanDerWaalsContact O-CA 3.25Å; N209-E247 WeakPolarHBondContact O-CA 3.05Å; N209-E247 WeakPolarHBondContact O-CB 3.14Å; N209-I248 PolarHBondContact O-N 2.64Å
210P98.1Very high96.2Very high33 Ų3362.2 Ų62.221%0.21431%0.313CS..BIsolated β-bridgetrans-65.7142174.930.2-35.5000110.7L63 Y152 T208 I212L63-P210 HydrophobicContact CD1-CB 3.92Å; L63-P210 HydrophobicContact CD2-CB 4.01Å; Y152-P210 HydrophobicContact CD1-CB 3.68Å; Y152-P210 HydrophobicContact CD2-CB 3.66Å; Y152-P210 HydrophobicContact CD2-CG 3.71Å; Y152-P210 HydrophobicContact CE1-CB 3.87Å; Y152-P210 HydrophobicContact CE2-CB 3.84Å; Y152-P210 HydrophobicContact CE2-CG 3.78Å; Y152-P210 HydrophobicContact CG-CB 3.58Å; Y152-P210 HydrophobicContact CG-CG 4.15Å; T208-P210 VanDerWaalsContact O-CD 3.25Å; T208-P210 WeakPolarHBondContact O-CD 3.3Å; P210-I212 PolarHBondContact O-N 2.82Å
211C97.4Very high96Very high0 Ų061.9 Ų61.90%030%0.303CS..  trans-70.9122162.2179.90000107.4H177 Y213 A240 C244 E247 I248 K249H177-C211 PolarHBondContact NE2-O 3.32Å; H177-C211 VanDerWaalsContact NE2-O 3.17Å; C211-Y213 VanDerWaalsContact C-N 3.31Å; C211-Y213 PolarHBondContact SG-O 3.43Å; C211-Y213 VanDerWaalsContact SG-O 3.41Å; C211-A240 VanDerWaalsContact SG-CB 3.56Å; C211-C244 VanDerWaalsContact CA-SG 3.51Å; C211-C244 HydrophobicContact CB-CB 3.67Å; C211-C244 WeakPolarHBondContact CB-SG 3.32Å; C211-C244 WeakPolarHBondContact SG-CB 3.5Å; C211-C244 CovalentContact SG-SG 2.03Å; C211-C244 PolarHBondContact SG-SG 3.22Å; C211-E247 HydrophobicContact CB-CB 3.88Å; C211-I248 WeakPolarHBondContact CB-O 3.5Å; C211-I248 PolarHBondContact N-O 3.33Å; C211-K249 HydrophobicContact CB-CB 4.02Å
212I95.2Very high95.8Very high86 Ų8663.8 Ų63.844%0.44131%0.312SS..  trans-84.8-12.8-179.364.6167.9000112.8N96 P210N96-I212 WeakPolarHBondContact CB-O 3.43Å; P210-I212 PolarHBondContact O-N 2.82Å
213Y94.3Very high95.7Very high80 Ų8063.3 Ų63.331%0.31430%0.304SS..  trans-90.3161.3177.1-60.5-64.3000109.9C211 K239 L243C211-Y213 VanDerWaalsContact C-N 3.31Å; C211-Y213 PolarHBondContact SG-O 3.43Å; C211-Y213 VanDerWaalsContact SG-O 3.41Å; Y213-K239 HydrophobicContact CD1-CB 4.31Å; Y213-K239 HydrophobicContact CD1-CD 4.47Å; Y213-K239 HydrophobicContact CG-CB 4.21Å; Y213-L243 HydrophobicContact CD1-CD1 4.32Å; Y213-L243 HydrophobicContact CD2-CB 3.6Å; Y213-L243 HydrophobicContact CD2-CD1 3.95Å; Y213-L243 HydrophobicContact CD2-CG 4.42Å; Y213-L243 HydrophobicContact CE1-CD1 4.11Å; Y213-L243 HydrophobicContact CE2-CB 3.62Å; Y213-L243 HydrophobicContact CE2-CD1 3.72Å; Y213-L243 HydrophobicContact CE2-CG 4.33Å; Y213-L243 HydrophobicContact CG-CB 4.49Å; Y213-L243 HydrophobicContact CG-CD1 4.24Å
214Y93Very high95.6Very high54 Ų5460.2 Ų60.221%0.21229%0.291CS..  trans-131.7144.4179-177.4-94.4000109.1N96 F98 H177 E178N96-Y214 WeakPolarHBondContact O-CB 3.36Å; F98-Y214 HydrophobicContact CD2-CD1 4.29Å; F98-Y214 AromaticContact CD2-CE1 3.66Å; F98-Y214 HydrophobicContact CD2-CE1 3.66Å; F98-Y214 AromaticContact CD2-CZ 3.88Å; F98-Y214 AromaticContact CE2-CE1 3.98Å; F98-Y214 HydrophobicContact CE2-CE1 3.98Å; H177-Y214 AromaticContact CE1-CD2 3.84Å; H177-Y214 AromaticContact ND1-CD2 3.32Å; H177-Y214 VanDerWaalsContact ND1-CD2 3.32Å; H177-Y214 WeakPolarHBondContact ND1-CD2 3.41Å; E178-Y214 WeakPolarHBondContact OE1-CE2 3.48Å; E178-Y214 PolarHBondContact OE1-OH 3.16Å; E178-Y214 WeakPolarHBondContact OE2-CE2 3.42Å
215D94.6Very high95.5Very high29 Ų2962.4 Ų62.416%0.15530%0.298CS..BIsolated β-bridgetrans-91.4118.6172.8-74.7-15.2000108.8Y217 C220 F237 C238 K239 A240 T241D215-Y217 PolarHBondContact O-N 3.41Å; D215-C220 HydrophobicContact CB-CB 4.08Å; D215-C220 WeakPolarHBondContact OD2-CB 3.08Å; D215-F237 CarbonylContact C-O 3.51Å; D215-F237 WeakPolarHBondContact CA-O 3.23Å; D215-C238 WeakPolarHBondContact OD1-CA 3Å; D215-K239 PolarHBondContact OD1-N 2.92Å; D215-A240 WeakPolarHBondContact OD1-CA 3.28Å; D215-A240 WeakPolarHBondContact OD1-CB 3.31Å; D215-A240 PolarHBondContact OD1-N 2.98Å; D215-T241 PolarHBondContact OD1-N 2.89Å; D215-T241 VanDerWaalsContact OD2-CB 3.28Å; D215-T241 WeakPolarHBondContact OD2-CB 3.43Å; D215-T241 PolarHBondContact OD2-N 3.43Å; D215-T241 VanDerWaalsContact OD2-N 3.17Å; D215-T241 PolarHBondContact OD2-OG1 2.91Å
216E92.3Very high95.4Very high74 Ų7465.7 Ų65.735%0.34631%0.308SS..SBendtrans-74.2-17.3178.2-57.2-81.3175.100111.7R93 F237R93-E216 IonicContact CZ-OE1 3.54Å; R93-E216 IonicContact CZ-OE2 3.8Å; R93-E216 IonicContact NH1-OE1 3.63Å; R93-E216 IonicContact NH1-OE2 3.13Å; R93-E216 PolarHBondContact NH1-OE2 2.03Å; R93-E216 VanDerWaalsContact NH1-OE2 3.13Å; R93-E216 IonicContact NH2-OE1 2.66Å; R93-E216 PolarHBondContact NH2-OE1 2.97Å; R93-E216 IonicContact NH2-OE2 3.61Å; E216-F237 HydrophobicContact CB-CB 4.2Å; E216-F237 HydrophobicContact CB-CD1 3.9Å; E216-F237 HydrophobicContact CG-CD1 4.13Å; E216-F237 PolarHBondContact N-O 3.22Å
217Y92Very high95.2Very high94 Ų9469 Ų6937%0.36933%0.326SS..SBendtrans-113.5140.1175.2-65.5-20.1000111.4D215 D219 C220 T233 F237D215-Y217 PolarHBondContact O-N 3.41Å; Y217-D219 VanDerWaalsContact C-N 3.3Å; Y217-D219 PolarHBondContact O-N 3.41Å; Y217-C220 PolarHBondContact O-SG 3.48Å; Y217-T233 HydrophobicContact CE2-CG2 4.04Å; Y217-F237 HydrophobicContact CD1-CB 4.48Å; Y217-F237 HydrophobicContact CD2-CB 3.79Å; Y217-F237 HydrophobicContact CD2-CG 4.29Å; Y217-F237 HydrophobicContact CE1-CD1 4.34Å; Y217-F237 HydrophobicContact CE1-CG 4.29Å; Y217-F237 HydrophobicContact CE2-CB 3.85Å; Y217-F237 AromaticContact CE2-CD2 3.74Å; Y217-F237 HydrophobicContact CE2-CD2 3.74Å; Y217-F237 HydrophobicContact CE2-CE2 4.46Å; Y217-F237 AromaticContact CE2-CG 3.84Å; Y217-F237 HydrophobicContact CE2-CG 3.84Å; Y217-F237 HydrophobicContact CG-CB 4.11Å; Y217-F237 AromaticContact CZ-CD2 3.84Å; Y217-F237 AromaticContact CZ-CG 3.84Å
218F89.7Confident95.1Very high204 Ų20470.4 Ų70.490%0.89534%0.34SS*.THydrogen-bonded Turntrans-71.6-23.1179.368.7-90.1000113.1
219D92.8Very high95Very high38 Ų3869.7 Ų69.720%0.20334%0.337CS..THydrogen-bonded Turntrans-99.222.6-175.970.7-27.8000113.1Y217 D221 I222 Q223Y217-D219 VanDerWaalsContact C-N 3.3Å; Y217-D219 PolarHBondContact O-N 3.41Å; D219-D221 VanDerWaalsContact C-N 3.29Å; D219-D221 PolarHBondContact O-N 3.22Å; D219-I222 HydrophobicContact CB-CB 4.5Å; D219-I222 HydrophobicContact CB-CD1 4.41Å; D219-I222 WeakPolarHBondContact O-CA 3.35Å; D219-I222 WeakPolarHBondContact O-CB 3.32Å; D219-I222 PolarHBondContact O-N 2.76Å; D219-Q223 WeakPolarHBondContact O-CG 3.38Å; D219-Q223 PolarHBondContact O-N 2.87Å; D219-Q223 PolarHBondContact OD2-NE2 2.52Å
220C95.3Very high94.9Very high2 Ų276.4 Ų76.41%0.01437%0.373CS..Hα-helixtrans-59.6-33.7-173.9-85.30000114.4D215 Y217 I222 Q223 V224 F237 C238D215-C220 HydrophobicContact CB-CB 4.08Å; D215-C220 WeakPolarHBondContact OD2-CB 3.08Å; Y217-C220 PolarHBondContact O-SG 3.48Å; C220-I222 VanDerWaalsContact C-N 3.27Å; C220-I222 PolarHBondContact O-N 3.09Å; C220-Q223 PolarHBondContact O-N 3.17Å; C220-V224 VanDerWaalsContact O-CB 3.31Å; C220-V224 WeakPolarHBondContact O-CB 3.12Å; C220-V224 VanDerWaalsContact O-CG2 3.28Å; C220-V224 WeakPolarHBondContact O-CG2 3.41Å; C220-V224 PolarHBondContact O-N 3.23Å; C220-F237 PolarHBondContact SG-O 3.05Å; C220-C238 WeakPolarHBondContact CA-SG 3.31Å; C220-C238 HydrophobicContact CB-CB 3.58Å; C220-C238 WeakPolarHBondContact CB-SG 3.28Å; C220-C238 WeakPolarHBondContact SG-CA 3.4Å; C220-C238 WeakPolarHBondContact SG-CB 3.03Å; C220-C238 CovalentContact SG-SG 2.04Å; C220-C238 PolarHBondContact SG-SG 3.39Å
221D93.9Very high94.8Very high106 Ų10678.1 Ų78.157%0.56738%0.378SS*.Hα-helixtrans-60.7-37.3173.3-68-41.4000111.6D219 H225 K249D219-D221 VanDerWaalsContact C-N 3.29Å; D219-D221 PolarHBondContact O-N 3.22Å; D221-H225 VanDerWaalsContact O-CB 3.31Å; D221-H225 WeakPolarHBondContact O-CB 3.48Å; D221-H225 PolarHBondContact O-N 3.25Å; D221-H225 VanDerWaalsContact O-N 3.15Å; D221-K249 IonicContact OD1-NZ 2.74Å; D221-K249 PolarHBondContact OD1-NZ 3.24Å; D221-K249 VanDerWaalsContact OD1-NZ 3.09Å
222I94.9Very high94.7Very high100 Ų10082.4 Ų82.451%0.51341%0.408SS..Hα-helixtrans-71.9-48.6176.3-63.8171.3000110.1D219 C220 V224 H225 Y226D219-I222 HydrophobicContact CB-CB 4.5Å; D219-I222 HydrophobicContact CB-CD1 4.41Å; D219-I222 WeakPolarHBondContact O-CA 3.35Å; D219-I222 WeakPolarHBondContact O-CB 3.32Å; D219-I222 PolarHBondContact O-N 2.76Å; C220-I222 VanDerWaalsContact C-N 3.27Å; C220-I222 PolarHBondContact O-N 3.09Å; I222-V224 VanDerWaalsContact C-N 3.35Å; I222-V224 PolarHBondContact O-N 2.04Å; I222-H225 WeakPolarHBondContact O-CB 3.36Å; I222-H225 PolarHBondContact O-N 2.8Å; I222-Y226 HydrophobicContact CG2-CD2 3.87Å; I222-Y226 HydrophobicContact CG2-CE2 3.87Å; I222-Y226 VanDerWaalsContact O-CD2 3.27Å; I222-Y226 WeakPolarHBondContact O-CD2 3.45Å; I222-Y226 PolarHBondContact O-N 3.06Å
223Q95.9Very high94.6Very high52 Ų5280.3 Ų80.324%0.24340%0.399CS..Hα-helixtrans-59.4-46-178.7-64.9-72.7-8.900111.4D219 C220 H225 Y226 L227 T234D219-Q223 WeakPolarHBondContact O-CG 3.38Å; D219-Q223 PolarHBondContact O-N 2.87Å; D219-Q223 PolarHBondContact OD2-NE2 2.52Å; C220-Q223 PolarHBondContact O-N 3.17Å; Q223-H225 VanDerWaalsContact C-N 3.35Å; Q223-Y226 PolarHBondContact O-N 3.43Å; Q223-L227 VanDerWaalsContact O-CB 3.28Å; Q223-L227 WeakPolarHBondContact O-CB 2.96Å; Q223-L227 WeakPolarHBondContact O-CG 3.28Å; Q223-L227 PolarHBondContact O-N 3.13Å; Q223-T234 HydrophobicContact CB-CG2 4.07Å
224V96.2Very high94.6Very high27 Ų2776.5 Ų76.516%0.16438%0.384CS..Hα-helixtrans-66.9-36.7178.61710000111.4C220 I222 Y226 G228 C229 T234 C238 T241 C242C220-V224 VanDerWaalsContact O-CB 3.31Å; C220-V224 WeakPolarHBondContact O-CB 3.12Å; C220-V224 VanDerWaalsContact O-CG2 3.28Å; C220-V224 WeakPolarHBondContact O-CG2 3.41Å; C220-V224 PolarHBondContact O-N 3.23Å; I222-V224 VanDerWaalsContact C-N 3.35Å; I222-V224 PolarHBondContact O-N 2.04Å; V224-Y226 VanDerWaalsContact C-N 3.35Å; V224-Y226 PolarHBondContact O-N 3.45Å; V224-G228 WeakPolarHBondContact O-CA 3.31Å; V224-G228 PolarHBondContact O-N 2.66Å; V224-C229 WeakPolarHBondContact CG1-SG 2.96Å; V224-T234 HydrophobicContact CG2-CG2 3.88Å; V224-C238 HydrophobicContact CG2-CB 3.92Å; V224-T241 HydrophobicContact CB-CG2 3.92Å; V224-T241 HydrophobicContact CG1-CG2 4.2Å; V224-T241 HydrophobicContact CG2-CG2 3.72Å; V224-C242 WeakPolarHBondContact CG2-SG 3.45Å
225H96Very high94.5Very high147 Ų14778.4 Ų78.468%0.68140%0.397SS*.Hα-helixtrans-59.3-43.3175.5-18074.2000112.7D221 I222 Q223D221-H225 VanDerWaalsContact O-CB 3.31Å; D221-H225 WeakPolarHBondContact O-CB 3.48Å; D221-H225 PolarHBondContact O-N 3.25Å; D221-H225 VanDerWaalsContact O-N 3.15Å; I222-H225 WeakPolarHBondContact O-CB 3.36Å; I222-H225 PolarHBondContact O-N 2.8Å; Q223-H225 VanDerWaalsContact C-N 3.35Å
226Y96.3Very high94.4Very high178 Ų17881.7 Ų81.770%0.69841%0.414SS*.Hα-helixtrans-86.9-37.9-176.6-74.4-72.4000114.2I222 Q223 V224I222-Y226 HydrophobicContact CG2-CD2 3.87Å; I222-Y226 HydrophobicContact CG2-CE2 3.87Å; I222-Y226 VanDerWaalsContact O-CD2 3.27Å; I222-Y226 WeakPolarHBondContact O-CD2 3.45Å; I222-Y226 PolarHBondContact O-N 3.06Å; Q223-Y226 PolarHBondContact O-N 3.43Å; V224-Y226 VanDerWaalsContact C-N 3.35Å; V224-Y226 PolarHBondContact O-N 3.45Å
227L96.3Very high94.5Very high71 Ų7181.1 Ų81.137%0.37241%0.411SS..Hα-helixtrans-100.8-22.6-171.8-57.4175.5000112.7Q223 H231 T234Q223-L227 VanDerWaalsContact O-CB 3.28Å; Q223-L227 WeakPolarHBondContact O-CB 2.96Å; Q223-L227 WeakPolarHBondContact O-CG 3.28Å; Q223-L227 PolarHBondContact O-N 3.13Å; L227-H231 HydrophobicContact CB-CB 3.67Å; L227-T234 HydrophobicContact CB-CG2 4.2Å; L227-T234 HydrophobicContact CD1-CG2 4.45Å
228G96.1Very high94.7Very high29 Ų2976.6 Ų76.630%0.29939%0.393SS..  trans70.2161.1-171.800000112.9V224 N230 H231 T234V224-G228 WeakPolarHBondContact O-CA 3.31Å; V224-G228 PolarHBondContact O-N 2.66Å; G228-N230 PolarHBondContact O-N 2.97Å; G228-N230 VanDerWaalsContact O-N 3.09Å; G228-H231 PolarHBondContact O-N 2.92Å; G228-T234 PolarHBondContact O-OG1 2.97Å
229C96.6Very high94.9Very high44 Ų4470.5 Ų70.530%0.29737%0.366SS..THydrogen-bonded Turntrans-70.1-6-175.3-73.70000116V224 I235 C242V224-C229 WeakPolarHBondContact CG1-SG 2.96Å; C229-I235 WeakPolarHBondContact O-CG1 3.17Å; C229-C242 WeakPolarHBondContact CA-SG 3.09Å; C229-C242 HydrophobicContact CB-CB 3.67Å; C229-C242 WeakPolarHBondContact CB-SG 3.33Å; C229-C242 WeakPolarHBondContact SG-CA 3.39Å; C229-C242 WeakPolarHBondContact SG-CB 3.36Å; C229-C242 CovalentContact SG-SG 2.04Å; C229-C242 PolarHBondContact SG-SG 3.21Å
230N96.5Very high95.1Very high156 Ų15669 Ų6983%0.83436%0.359SS*.THydrogen-bonded Turntrans-90.7-5175.9-67.4-30.5000113.1G228 I235G228-N230 PolarHBondContact O-N 2.97Å; G228-N230 VanDerWaalsContact O-N 3.09Å; N230-I235 WeakPolarHBondContact O-CD1 3.27Å
231H96.4Very high95.1Very high69 Ų6969.8 Ų69.832%0.31936%0.363SS..SBendtrans-73.3142.9177.7-170.1-88.8000111L227 G228 T233 T234 I235L227-H231 HydrophobicContact CB-CB 3.67Å; G228-H231 PolarHBondContact O-N 2.92Å; H231-T233 VanDerWaalsContact C-N 3.27Å; H231-T233 PolarHBondContact CE1-OG1 3.47Å; H231-T233 VanDerWaalsContact CE1-OG1 3.27Å; H231-T233 WeakPolarHBondContact ND1-CB 3.4Å; H231-T233 PolarHBondContact ND1-N 2.87Å; H231-T233 PolarHBondContact ND1-OG1 2.04Å; H231-T233 PolarHBondContact O-N 3.43Å; H231-T234 PolarHBondContact O-N 3.38Å; H231-T234 VanDerWaalsContact O-N 3.17Å; H231-T234 PolarHBondContact O-OG1 3.06Å; H231-I235 WeakPolarHBondContact O-CG1 2.94Å; H231-I235 PolarHBondContact O-N 3.15Å
232S94.4Very high95.2Very high91 Ų9165.7 Ų65.764%0.63634%0.343SS*.Hα-helixtrans-56-40.7-175.752.90000113L236S232-L236 PolarHBondContact O-N 3.22Å
233T92.6Very high95.2Very high42 Ų4265.4 Ų65.426%0.25834%0.342SS..Hα-helixtrans-62.6-50.2176.3-50.40000112.5Y217 H231 L236 F237Y217-T233 HydrophobicContact CE2-CG2 4.04Å; H231-T233 VanDerWaalsContact C-N 3.27Å; H231-T233 PolarHBondContact CE1-OG1 3.47Å; H231-T233 VanDerWaalsContact CE1-OG1 3.27Å; H231-T233 WeakPolarHBondContact ND1-CB 3.4Å; H231-T233 PolarHBondContact ND1-N 2.87Å; H231-T233 PolarHBondContact ND1-OG1 2.04Å; H231-T233 PolarHBondContact O-N 3.43Å; T233-L236 PolarHBondContact O-N 2.88Å; T233-F237 HydrophobicContact CG2-CD2 3.99Å; T233-F237 WeakPolarHBondContact O-CD2 3.45Å; T233-F237 PolarHBondContact O-N 3.33Å
234T93.9Very high95.1Very high0 Ų063.4 Ų63.40%033%0.334CS..Hα-helixtrans-70.6-34.3-17551.90000111.7Q223 V224 L227 G228 H231 L236 C238Q223-T234 HydrophobicContact CB-CG2 4.07Å; V224-T234 HydrophobicContact CG2-CG2 3.88Å; L227-T234 HydrophobicContact CB-CG2 4.2Å; L227-T234 HydrophobicContact CD1-CG2 4.45Å; G228-T234 PolarHBondContact O-OG1 2.97Å; H231-T234 PolarHBondContact O-N 3.38Å; H231-T234 VanDerWaalsContact O-N 3.17Å; H231-T234 PolarHBondContact O-OG1 3.06Å; T234-L236 PolarHBondContact O-N 3.42Å; T234-C238 CarbonylContact O-C 3.46Å; T234-C238 WeakPolarHBondContact O-CA 3.29Å; T234-C238 WeakPolarHBondContact O-CB 3.46Å; T234-C238 PolarHBondContact O-N 3.36Å
235I92.6Very high94.9Very high94 Ų9469.2 Ų69.248%0.48236%0.364SS..Hα-helixtrans-59.4-39173-70172000111.2C229 N230 H231 K239C229-I235 WeakPolarHBondContact O-CG1 3.17Å; N230-I235 WeakPolarHBondContact O-CD1 3.27Å; H231-I235 WeakPolarHBondContact O-CG1 2.94Å; H231-I235 PolarHBondContact O-N 3.15Å; I235-K239 WeakPolarHBondContact O-CG 3.45Å
236L90.7Very high94.9Very high98 Ų9867 Ų6751%0.51336%0.361SS..Hα-helixtrans-82.9-42-173.8-171.458.6000112.3S232 T233 T234S232-L236 PolarHBondContact O-N 3.22Å; T233-L236 PolarHBondContact O-N 2.88Å; T234-L236 PolarHBondContact O-N 3.42Å
237F95Very high94.9Very high61 Ų6161.8 Ų61.827%0.26834%0.343SS..Hα-helixtrans-114.1-12.8-166.9-58-67.1000114.8D215 E216 Y217 C220 T233D215-F237 CarbonylContact C-O 3.51Å; D215-F237 WeakPolarHBondContact CA-O 3.23Å; E216-F237 HydrophobicContact CB-CB 4.2Å; E216-F237 HydrophobicContact CB-CD1 3.9Å; E216-F237 HydrophobicContact CG-CD1 4.13Å; E216-F237 PolarHBondContact N-O 3.22Å; Y217-F237 HydrophobicContact CD1-CB 4.48Å; Y217-F237 HydrophobicContact CD2-CB 3.79Å; Y217-F237 HydrophobicContact CD2-CG 4.29Å; Y217-F237 HydrophobicContact CE1-CD1 4.34Å; Y217-F237 HydrophobicContact CE1-CG 4.29Å; Y217-F237 HydrophobicContact CE2-CB 3.85Å; Y217-F237 AromaticContact CE2-CD2 3.74Å; Y217-F237 HydrophobicContact CE2-CD2 3.74Å; Y217-F237 HydrophobicContact CE2-CE2 4.46Å; Y217-F237 AromaticContact CE2-CG 3.84Å; Y217-F237 HydrophobicContact CE2-CG 3.84Å; Y217-F237 HydrophobicContact CG-CB 4.11Å; Y217-F237 AromaticContact CZ-CD2 3.84Å; Y217-F237 AromaticContact CZ-CG 3.84Å; C220-F237 PolarHBondContact SG-O 3.05Å; T233-F237 HydrophobicContact CG2-CD2 3.99Å; T233-F237 WeakPolarHBondContact O-CD2 3.45Å; T233-F237 PolarHBondContact O-N 3.33Å
238C96.3Very high95Very high0 Ų059.1 Ų59.10%033%0.329CS..BIsolated β-bridgetrans-121.144.3-176.1-610000112.5D215 C220 V224 T234 T241 C242D215-C238 WeakPolarHBondContact OD1-CA 3Å; C220-C238 WeakPolarHBondContact CA-SG 3.31Å; C220-C238 HydrophobicContact CB-CB 3.58Å; C220-C238 WeakPolarHBondContact CB-SG 3.28Å; C220-C238 WeakPolarHBondContact SG-CA 3.4Å; C220-C238 WeakPolarHBondContact SG-CB 3.03Å; C220-C238 CovalentContact SG-SG 2.04Å; C220-C238 PolarHBondContact SG-SG 3.39Å; V224-C238 HydrophobicContact CG2-CB 3.92Å; T234-C238 CarbonylContact O-C 3.46Å; T234-C238 WeakPolarHBondContact O-CA 3.29Å; T234-C238 WeakPolarHBondContact O-CB 3.46Å; T234-C238 PolarHBondContact O-N 3.36Å; C238-T241 PolarHBondContact O-N 2.84Å; C238-C242 VanDerWaalsContact O-CB 3.27Å; C238-C242 WeakPolarHBondContact O-CB 3.27Å; C238-C242 PolarHBondContact O-N 3.18Å; C238-C242 PolarHBondContact O-SG 3.35Å
239K95.1Very high94.7Very high76 Ų7662.9 Ų62.933%0.3334%0.337SS..Hα-helixtrans-66.5-40.4-173.4-69.4179.7-176.5170.80112.7Y213 D215 I235 C242 L243Y213-K239 HydrophobicContact CD1-CB 4.31Å; Y213-K239 HydrophobicContact CD1-CD 4.47Å; Y213-K239 HydrophobicContact CG-CB 4.21Å; D215-K239 PolarHBondContact OD1-N 2.92Å; I235-K239 WeakPolarHBondContact O-CG 3.45Å; K239-C242 PolarHBondContact O-N 3.36Å; K239-L243 HydrophobicContact CB-CD1 4.22Å; K239-L243 WeakPolarHBondContact O-CB 3.18Å; K239-L243 VanDerWaalsContact O-CG 3.31Å; K239-L243 WeakPolarHBondContact O-CG 3.34Å; K239-L243 PolarHBondContact O-N 3.01Å
240A95.6Very high94.7Very high5 Ų563.9 Ų63.94%0.04134%0.339CS..Hα-helixtrans-63.5-50.2177.300000109.8C211 D215 C242 L243 C244C211-A240 VanDerWaalsContact SG-CB 3.56Å; D215-A240 WeakPolarHBondContact OD1-CA 3.28Å; D215-A240 WeakPolarHBondContact OD1-CB 3.31Å; D215-A240 PolarHBondContact OD1-N 2.98Å; A240-C242 PolarHBondContact O-N 3.19Å; A240-L243 PolarHBondContact O-N 2.88Å; A240-C244 VanDerWaalsContact O-CB 3.23Å; A240-C244 WeakPolarHBondContact O-CB 3.28Å; A240-C244 PolarHBondContact O-N 3.17Å
241T95.6Very high94.6Very high19 Ų1959 Ų5912%0.11731%0.313CS..Hα-helixtrans-61.7-30.3178.5-68.20000113.3D215 V224 C238 K249D215-T241 PolarHBondContact OD1-N 2.89Å; D215-T241 VanDerWaalsContact OD2-CB 3.28Å; D215-T241 WeakPolarHBondContact OD2-CB 3.43Å; D215-T241 PolarHBondContact OD2-N 3.43Å; D215-T241 VanDerWaalsContact OD2-N 3.17Å; D215-T241 PolarHBondContact OD2-OG1 2.91Å; V224-T241 HydrophobicContact CB-CG2 3.92Å; V224-T241 HydrophobicContact CG1-CG2 4.2Å; V224-T241 HydrophobicContact CG2-CG2 3.72Å; C238-T241 PolarHBondContact O-N 2.84Å; T241-K249 PolarHBondContact OG1-NZ 3.09Å
242C95.3Very high94.5Very high20 Ų2058.4 Ų58.414%0.13531%0.312CS..Hα-helixtrans-91.4-21.7-179.2-78.10000116.4V224 C229 C238 K239 A240V224-C242 WeakPolarHBondContact CG2-SG 3.45Å; C229-C242 WeakPolarHBondContact CA-SG 3.09Å; C229-C242 HydrophobicContact CB-CB 3.67Å; C229-C242 WeakPolarHBondContact CB-SG 3.33Å; C229-C242 WeakPolarHBondContact SG-CA 3.39Å; C229-C242 WeakPolarHBondContact SG-CB 3.36Å; C229-C242 CovalentContact SG-SG 2.04Å; C229-C242 PolarHBondContact SG-SG 3.21Å; C238-C242 VanDerWaalsContact O-CB 3.27Å; C238-C242 WeakPolarHBondContact O-CB 3.27Å; C238-C242 PolarHBondContact O-N 3.18Å; C238-C242 PolarHBondContact O-SG 3.35Å; K239-C242 PolarHBondContact O-N 3.36Å; A240-C242 PolarHBondContact O-N 3.19Å
243L95.1Very high94.5Very high94 Ų9456.5 Ų56.549%0.49229%0.293SS..Hα-helixtrans-121.4-7.1-170.5-54.1174.5000113.4Y213 K239 A240Y213-L243 HydrophobicContact CD1-CD1 4.32Å; Y213-L243 HydrophobicContact CD2-CB 3.6Å; Y213-L243 HydrophobicContact CD2-CD1 3.95Å; Y213-L243 HydrophobicContact CD2-CG 4.42Å; Y213-L243 HydrophobicContact CE1-CD1 4.11Å; Y213-L243 HydrophobicContact CE2-CB 3.62Å; Y213-L243 HydrophobicContact CE2-CD1 3.72Å; Y213-L243 HydrophobicContact CE2-CG 4.33Å; Y213-L243 HydrophobicContact CG-CB 4.49Å; Y213-L243 HydrophobicContact CG-CD1 4.24Å; K239-L243 HydrophobicContact CB-CD1 4.22Å; K239-L243 WeakPolarHBondContact O-CB 3.18Å; K239-L243 VanDerWaalsContact O-CG 3.31Å; K239-L243 WeakPolarHBondContact O-CG 3.34Å; K239-L243 PolarHBondContact O-N 3.01Å; A240-L243 PolarHBondContact O-N 2.88Å
244C95.3Very high94.6Very high11 Ų1157.4 Ų57.47%0.07430%0.296CS..  trans-117.295.9177.6-64.60000110.2C211 A240 E247C211-C244 VanDerWaalsContact CA-SG 3.51Å; C211-C244 HydrophobicContact CB-CB 3.67Å; C211-C244 WeakPolarHBondContact CB-SG 3.32Å; C211-C244 WeakPolarHBondContact SG-CB 3.5Å; C211-C244 CovalentContact SG-SG 2.03Å; C211-C244 PolarHBondContact SG-SG 3.22Å; A240-C244 VanDerWaalsContact O-CB 3.23Å; A240-C244 WeakPolarHBondContact O-CB 3.28Å; A240-C244 PolarHBondContact O-N 3.17Å; C244-E247 WeakPolarHBondContact CA-OE2 3.49Å; C244-E247 HydrophobicContact CB-CB 4.08Å
245D91.8Very high94.6Very high148 Ų14861.3 Ų61.379%0.79132%0.315SS*.SBendtrans-90.2-30.9-178.8-66.7-40.2000112.4E247D245-E247 PolarHBondContact N-OE2 3.27Å
246T94.8Very high94.8Very high100 Ų10058.9 Ų58.961%0.61330%0.303SS*.SBendtrans-124.8-14-171.466.10000113.4N209N209-T246 PolarHBondContact ND2-O 2.89Å
247E97.7Very high95.1Very high70 Ų7055.9 Ų55.933%0.32729%0.287SS..SBendtrans-75.2152.9179.6-63.976.5-175.400111.1N209 C211 C244 D245 K249N209-E247 CarbonylContact O-C 3.55Å; N209-E247 VanDerWaalsContact O-CA 3.25Å; N209-E247 WeakPolarHBondContact O-CA 3.05Å; N209-E247 WeakPolarHBondContact O-CB 3.14Å; C211-E247 HydrophobicContact CB-CB 3.88Å; C244-E247 WeakPolarHBondContact CA-OE2 3.49Å; C244-E247 HydrophobicContact CB-CB 4.08Å; D245-E247 PolarHBondContact N-OE2 3.27Å; E247-K249 PolarHBondContact O-N 3.38Å
248I97.8Very high95.1Very high14 Ų1455.5 Ų55.57%0.07229%0.289CS..BIsolated β-bridgetrans-75.7121.3174-54.2-55.3000108.6N61 L63 T150 A197 C198 C207 N209 C211N61-I248 HydrophobicContact CB-CD1 4.16Å; N61-I248 HydrophobicContact CB-CG2 4.27Å; L63-I248 HydrophobicContact CD1-CB 4.03Å; L63-I248 HydrophobicContact CD1-CG2 4.02Å; L63-I248 HydrophobicContact CD2-CB 3.89Å; L63-I248 HydrophobicContact CD2-CG1 3.98Å; L63-I248 HydrophobicContact CD2-CG2 4.49Å; L63-I248 HydrophobicContact CG-CB 3.96Å; L63-I248 HydrophobicContact CG-CG1 4.36Å; L63-I248 HydrophobicContact CG-CG2 4.02Å; T150-I248 HydrophobicContact CG2-CG2 4.36Å; A197-I248 HydrophobicContact CB-CD1 3.94Å; C198-I248 HydrophobicContact CB-CD1 4.33Å; C207-I248 HydrophobicContact CB-CG1 3.98Å; N209-I248 PolarHBondContact O-N 2.64Å; C211-I248 WeakPolarHBondContact CB-O 3.5Å; C211-I248 PolarHBondContact N-O 3.33Å
249K90.9Very high95Very high109 Ų10960.5 Ų60.547%0.47432%0.315SS..  trans-1200171.869.4176-170.3172.20110.8T150 C211 D221 T241 E247T150-K249 VanDerWaalsContact CG2-C 3.47Å; T150-K249 WeakPolarHBondContact CG2-OXT 3.34Å; C211-K249 HydrophobicContact CB-CB 4.02Å; D221-K249 IonicContact OD1-NZ 2.74Å; D221-K249 PolarHBondContact OD1-NZ 3.24Å; D221-K249 VanDerWaalsContact OD1-NZ 3.09Å; T241-K249 PolarHBondContact OG1-NZ 3.09Å; E247-K249 PolarHBondContact O-N 3.38Å

Retrieved 249 of 249 residues in 74.7 ms (Link to these results)

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