A0A077Z8J6_TRITR Loading...

Leucine Rich Repeat family protein

AlphaFold DB , UniProt , Accession A0A077Z8J6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 242 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
1M49.7Very low65.3Low181 Ų18196.3 Ų96.389%0.89255%0.548SS*.  0-46.10-70.2-65.1-89.500113L3 A4 T5M1-L3 PolarHBondContact O-N 2.6Å; M1-A4 PolarHBondContact O-N 3.32Å; M1-T5 HydrophobicContact CE-CG2 4.25Å; M1-T5 PolarHBondContact O-N 2.65Å; M1-T5 PolarHBondContact O-OG1 3.21Å; M1-T5 HydrophobicContact SD-CG2 4.43Å
2G64.2Low67.3Low61 Ų6190 Ų9063%0.62951%0.513SS*.THydrogen-bonded Turntrans-54.7-45.1-170.100000117.5N6G2-N6 VanDerWaalsContact O-CB 3.32Å; G2-N6 WeakPolarHBondContact O-CB 3.25Å
3L61.6Low69.2Low69 Ų6990.2 Ų90.236%0.36152%0.516SS..THydrogen-bonded Turntrans-82.7-34.2175.8-71.9172.3000112.7M1 T5 N6 V12 L37 C39M1-L3 PolarHBondContact O-N 2.6Å; L3-T5 VanDerWaalsContact C-N 3.27Å; L3-T5 PolarHBondContact O-N 3.4Å; L3-N6 PolarHBondContact O-N 3.35Å; L3-V12 HydrophobicContact CD2-CG1 4.19Å; L3-L37 HydrophobicContact CB-CD2 4.35Å; L3-C39 PolarHBondContact O-SG 3.04Å
4A61.1Low70.8Confident23 Ų2386.1 Ų86.119%0.1949%0.492CS..THydrogen-bonded Turntrans-66.3-26.9-173.700000113.9M1 S36M1-A4 PolarHBondContact O-N 3.32Å; A4-S36 CarbonylContact C-O 3.6Å; A4-S36 WeakPolarHBondContact CA-O 3.11Å; A4-S36 WeakPolarHBondContact CB-OG 3.42Å
5T59.2Low72.1Confident92 Ų9285 Ų8556%0.56450%0.497SS*.THydrogen-bonded Turntrans-110.2-0.5-177.454.50000113.6M1 L3 Q7M1-T5 HydrophobicContact CE-CG2 4.25Å; M1-T5 PolarHBondContact O-N 2.65Å; M1-T5 PolarHBondContact O-OG1 3.21Å; M1-T5 HydrophobicContact SD-CG2 4.43Å; L3-T5 VanDerWaalsContact C-N 3.27Å; L3-T5 PolarHBondContact O-N 3.4Å; T5-Q7 PolarHBondContact O-N 3.42Å
6N61.8Low73.1Confident49 Ų4981.4 Ų81.426%0.26248%0.475SS..  trans-92.695-173.5-165.4-28.2000111.3G2 L3 L8 I9 C39G2-N6 VanDerWaalsContact O-CB 3.32Å; G2-N6 WeakPolarHBondContact O-CB 3.25Å; L3-N6 PolarHBondContact O-N 3.35Å; N6-L8 VanDerWaalsContact C-N 3.3Å; N6-L8 PolarHBondContact OD1-N 3.35Å; N6-L8 VanDerWaalsContact OD1-N 3.07Å; N6-I9 WeakPolarHBondContact ND2-CD1 3.38Å; N6-I9 PolarHBondContact OD1-N 3.07Å; N6-C39 VanDerWaalsContact O-CB 3.27Å; N6-C39 WeakPolarHBondContact O-CB 3.25Å
7Q66.6Low74.1Confident155 Ų15580.7 Ų80.772%0.72447%0.469SS*.  trans-83.2-2.6177.4-65.4-175.8-1600114T5T5-Q7 PolarHBondContact O-N 3.42Å
8L66.9Low75Confident165 Ų16579.3 Ų79.386%0.86446%0.464SS*.SBendtrans-91.3-23.6-175.6-66.1170.7000112.7N6N6-L8 VanDerWaalsContact C-N 3.3Å; N6-L8 PolarHBondContact OD1-N 3.35Å; N6-L8 VanDerWaalsContact OD1-N 3.07Å
9I71.6Confident75.5Confident82 Ų8279.5 Ų79.542%0.42146%0.462SS..  trans-90.1121.9178.5-53.4174.7000108.3N6 V12 C39N6-I9 WeakPolarHBondContact ND2-CD1 3.38Å; N6-I9 PolarHBondContact OD1-N 3.07Å; I9-V12 HydrophobicContact CB-CG2 4.08Å; I9-V12 HydrophobicContact CG2-CG2 3.35Å; I9-C39 WeakPolarHBondContact O-CB 2.98Å
10S74.5Confident75.8Confident87 Ų8775.8 Ų75.861%0.60844%0.441SS*.  trans-105.7164.217157.30000110.6V12S10-V12 VanDerWaalsContact C-N 3.27Å; S10-V12 PolarHBondContact O-N 3.27Å
11N81.5Confident75.5Confident95 Ų9574.4 Ų74.451%0.50844%0.435SS..SBendtrans61.332.1176.7-53.1-33.6000113.7V13 S41N11-V13 PolarHBondContact O-N 3.41Å; N11-S41 PolarHBondContact N-OG 3.43Å
12V88.6Confident76.3Confident21 Ų2173.9 Ų73.913%0.12744%0.436CS..EExtended strand (participates in β ladder)trans-70.3127176.9177.70000109.2L3 I9 S10 C39 V40 S41 Y42L3-V12 HydrophobicContact CD2-CG1 4.19Å; I9-V12 HydrophobicContact CB-CG2 4.08Å; I9-V12 HydrophobicContact CG2-CG2 3.35Å; S10-V12 VanDerWaalsContact C-N 3.27Å; S10-V12 PolarHBondContact O-N 3.27Å; V12-C39 WeakPolarHBondContact CB-O 3.32Å; V12-C39 HydrophobicContact CG2-CB 3.97Å; V12-V40 HydrophobicContact CB-CG2 4.46Å; V12-V40 HydrophobicContact CG1-CG2 4.16Å; V12-S41 PolarHBondContact O-N 3.47Å; V12-Y42 PolarHBondContact O-N 2.74Å
13V91.6Very high76.2Confident93 Ų9372.8 Ų72.856%0.56442%0.424SS*.EExtended strand (participates in β ladder)trans-96127.1170.5-173.40000108.6N11 Y42N11-V13 PolarHBondContact O-N 3.41Å; V13-Y42 CarbonylContact C-O 3.25Å; V13-Y42 WeakPolarHBondContact CA-O 3.2Å; V13-Y42 HydrophobicContact CG2-CD2 4.17Å; V13-Y42 HydrophobicContact CG2-CG 4.15Å
14L91.6Very high77.1Confident32 Ų3273.5 Ų73.517%0.16843%0.426CS..EExtended strand (participates in β ladder)trans-130.4114.1179.5-173.852.1000109.1M16 L37 V40 Y42 L43 H44L14-M16 HydrophobicContact CD1-CE 4.23Å; L14-M16 HydrophobicContact CD1-CG 4.42Å; L14-M16 HydrophobicContact CD2-CE 3.2Å; L14-M16 HydrophobicContact CG-CE 3.6Å; L14-M16 HydrophobicContact CG-CG 4.14Å; L14-L37 HydrophobicContact CD2-CD1 3.82Å; L14-V40 HydrophobicContact CB-CG1 3.97Å; L14-V40 HydrophobicContact CB-CG2 4.19Å; L14-V40 HydrophobicContact CD2-CG2 3.74Å; L14-Y42 PolarHBondContact N-O 3.1Å; L14-L43 HydrophobicContact CB-CD1 4.13Å; L14-L43 HydrophobicContact CD2-CD1 4.37Å; L14-L43 HydrophobicContact CG-CD1 4.17Å; L14-L43 WeakPolarHBondContact O-CA 3.22Å; L14-H44 PolarHBondContact O-N 3.47Å
15A91.2Very high78.1Confident70 Ų7080.9 Ų80.958%0.57946%0.457SS*.EExtended strand (participates in β ladder)trans-104.8115.5176.100000109.6H44A15-H44 HydrophobicContact CB-CB 4.3Å
16M87.7Confident79.4Confident27 Ų2781.2 Ų81.213%0.13345%0.454CS..  trans-121.447.2177.1-62.5-166.1-151.800109.4L14 I19 L30 L37 L43 H44 M45 N48L14-M16 HydrophobicContact CD1-CE 4.23Å; L14-M16 HydrophobicContact CD1-CG 4.42Å; L14-M16 HydrophobicContact CD2-CE 3.2Å; L14-M16 HydrophobicContact CG-CE 3.6Å; L14-M16 HydrophobicContact CG-CG 4.14Å; M16-I19 HydrophobicContact CB-CD1 3.77Å; M16-I19 HydrophobicContact CB-CG1 4.08Å; M16-I19 HydrophobicContact CB-CG2 4.29Å; M16-I19 HydrophobicContact CG-CD1 4.19Å; M16-I19 HydrophobicContact SD-CD1 3.85Å; M16-L30 HydrophobicContact SD-CD1 3.74Å; M16-L37 HydrophobicContact CE-CD1 3.81Å; M16-L43 HydrophobicContact CE-CD1 4.27Å; M16-H44 CarbonylContact C-O 3.46Å; M16-H44 WeakPolarHBondContact CA-O 3.27Å; M16-H44 PolarHBondContact N-O 3.34Å; M16-M45 HydrophobicContact CB-CG 4.32Å; M16-N48 PolarHBondContact O-ND2 3.11Å; M16-N48 PolarHBondContact O-OD1 3.26Å
17N90Very high80.8Confident70 Ų7078.9 Ų78.937%0.37444%0.442SS..THydrogen-bonded Turntrans-78.4136-179.1-62.8-19000110.4I19 H44 M45 R46N17-I19 PolarHBondContact O-N 3.09Å; N17-I19 VanDerWaalsContact O-N 3.11Å; N17-H44 WeakPolarHBondContact OD1-CB 3.4Å; N17-H44 PolarHBondContact OD1-O 3.2Å; N17-M45 PolarHBondContact OD1-N 3.29Å; N17-R46 CarbonylContact C-O 3.43Å; N17-R46 VanDerWaalsContact CA-O 3.24Å; N17-R46 WeakPolarHBondContact CA-O 3.31Å; N17-R46 HydrophobicContact CB-CB 4.36Å; N17-R46 PolarHBondContact OD1-N 3Å
18S90Very high82.1Confident55 Ų5574.3 Ų74.339%0.38543%0.425SS..THydrogen-bonded Turntrans55.324.4177.1-51.70000116.2V20 S21 R46 D47 N48S18-V20 VanDerWaalsContact C-N 3.33Å; S18-V20 PolarHBondContact O-N 2.96Å; S18-S21 PolarHBondContact O-OG 3.01Å; S18-R46 PolarHBondContact N-O 3.22Å; S18-D47 VanDerWaalsContact CA-O 3.28Å; S18-D47 WeakPolarHBondContact CA-O 3.32Å; S18-D47 WeakPolarHBondContact OG-CB 3.22Å; S18-N48 PolarHBondContact N-OD1 3Å
19I84.6Confident83.3Confident84 Ų8470.6 Ų70.643%0.43141%0.41SS..THydrogen-bonded Turntrans-72.9-26.6-179.359.6156.8000112.6M16 N17 L30 N48M16-I19 HydrophobicContact CB-CD1 3.77Å; M16-I19 HydrophobicContact CB-CG1 4.08Å; M16-I19 HydrophobicContact CB-CG2 4.29Å; M16-I19 HydrophobicContact CG-CD1 4.19Å; M16-I19 HydrophobicContact SD-CD1 3.85Å; N17-I19 PolarHBondContact O-N 3.09Å; N17-I19 VanDerWaalsContact O-N 3.11Å; I19-L30 HydrophobicContact CD1-CD1 4.4Å; I19-N48 WeakPolarHBondContact CG1-OD1 3.08Å; I19-N48 PolarHBondContact N-OD1 3.13Å
20V82Confident84.1Confident5 Ų567.3 Ų67.33%0.0339%0.393CS..THydrogen-bonded Turntrans-104.69.9-178.7-161.60000112.8S18 N22 G23 L26 L27 L30 N48S18-V20 VanDerWaalsContact C-N 3.33Å; S18-V20 PolarHBondContact O-N 2.96Å; V20-N22 PolarHBondContact O-N 3.3Å; V20-G23 WeakPolarHBondContact CG1-O 3.34Å; V20-G23 PolarHBondContact O-N 3.48Å; V20-G23 VanDerWaalsContact O-N 3.15Å; V20-L26 HydrophobicContact CG1-CB 3.98Å; V20-L26 HydrophobicContact CG2-CB 4.23Å; V20-L27 HydrophobicContact CB-CD2 4.02Å; V20-L27 HydrophobicContact CG1-CD2 3.72Å; V20-L27 HydrophobicContact CG1-CG 3.81Å; V20-L27 HydrophobicContact CG2-CD2 3.95Å; V20-L30 HydrophobicContact CG2-CD2 4.18Å; V20-N48 HydrophobicContact CB-CB 4.49Å; V20-N48 HydrophobicContact CG2-CB 4.42Å; V20-N48 PolarHBondContact N-OD1 3.31Å
21S70.3Confident85.1Confident47 Ų4766.1 Ų66.133%0.32938%0.378SS..THydrogen-bonded Turntrans-61.9-9.3-17355.20000116S18S18-S21 PolarHBondContact O-OG 3.01Å
22N64.8Low85.6Confident170 Ų17066.3 Ų66.391%0.90938%0.383SS*.THydrogen-bonded Turntrans-107.611.3-179.9-70.2-22.8000114.4V20V20-N22 PolarHBondContact O-N 3.3Å
23G64Low85.8Confident37 Ų3767.3 Ų67.338%0.38139%0.391SS..  trans149.6141.5172.800000113V20 E25V20-G23 WeakPolarHBondContact CG1-O 3.34Å; V20-G23 PolarHBondContact O-N 3.48Å; V20-G23 VanDerWaalsContact O-N 3.15Å; G23-E25 PolarHBondContact O-N 2.96Å
24E78.9Confident85.8Confident85 Ų8562.9 Ų62.940%0.39736%0.364SS..G310 helixtrans-63.7-1.5-176.8-65.1-176.8173.400114.2L26 L27 P28 N51E24-L26 VanDerWaalsContact C-N 3.27Å; E24-L26 PolarHBondContact O-N 3.26Å; E24-L27 HydrophobicContact CB-CD1 3.83Å; E24-L27 HydrophobicContact CB-CG 4.41Å; E24-L27 HydrophobicContact CG-CD1 3.87Å; E24-L27 WeakPolarHBondContact O-CB 3.43Å; E24-L27 PolarHBondContact O-N 3.11Å; E24-L27 VanDerWaalsContact O-N 3.1Å; E24-P28 WeakPolarHBondContact O-CD 3.18Å; E24-N51 WeakPolarHBondContact OE1-CB 3.31Å; E24-N51 PolarHBondContact OE1-ND2 2.84Å
25E83.7Confident85.8Confident178 Ų17863.5 Ų63.583%0.83237%0.37SS*.G310 helixtrans-61.1-29-175.2-64.6-175.3174.900114.2G23 P28G23-E25 PolarHBondContact O-N 2.96Å; E25-P28 WeakPolarHBondContact O-CD 3.42Å
26L86.5Confident85.8Confident99 Ų9962.3 Ų62.352%0.51836%0.357SS..G310 helixtrans-87.1-12.7179.3-64177000113.2V20 E24 T29 L30V20-L26 HydrophobicContact CG1-CB 3.98Å; V20-L26 HydrophobicContact CG2-CB 4.23Å; E24-L26 VanDerWaalsContact C-N 3.27Å; E24-L26 PolarHBondContact O-N 3.26Å; L26-T29 PolarHBondContact O-N 3.04Å; L26-T29 VanDerWaalsContact O-N 3.15Å; L26-L30 WeakPolarHBondContact O-CB 3.49Å; L26-L30 PolarHBondContact O-N 3.05Å
27L91.2Very high85.8Confident0 Ų061.9 Ų61.90%036%0.355CS..Hα-helixtrans-60.4-41.7-177.6-64.8179.3000113.3V20 E24 T29 L30 E31 F50 M53 I57V20-L27 HydrophobicContact CB-CD2 4.02Å; V20-L27 HydrophobicContact CG1-CD2 3.72Å; V20-L27 HydrophobicContact CG1-CG 3.81Å; V20-L27 HydrophobicContact CG2-CD2 3.95Å; E24-L27 HydrophobicContact CB-CD1 3.83Å; E24-L27 HydrophobicContact CB-CG 4.41Å; E24-L27 HydrophobicContact CG-CD1 3.87Å; E24-L27 WeakPolarHBondContact O-CB 3.43Å; E24-L27 PolarHBondContact O-N 3.11Å; E24-L27 VanDerWaalsContact O-N 3.1Å; L27-T29 VanDerWaalsContact C-N 3.32Å; L27-T29 PolarHBondContact O-N 2.81Å; L27-L30 HydrophobicContact CD2-CD2 4.45Å; L27-L30 WeakPolarHBondContact O-CB 3.49Å; L27-L30 PolarHBondContact O-N 2.89Å; L27-E31 VanDerWaalsContact O-CB 3.3Å; L27-E31 WeakPolarHBondContact O-CB 3.26Å; L27-E31 PolarHBondContact O-N 2.61Å; L27-F50 HydrophobicContact CD2-CD1 3.94Å; L27-M53 HydrophobicContact CB-CE 4.27Å; L27-M53 HydrophobicContact CB-SD 3.48Å; L27-M53 WeakPolarHBondContact CB-SD 3.04Å; L27-M53 HydrophobicContact CD1-CB 4.23Å; L27-M53 HydrophobicContact CD1-CG 4.4Å; L27-M53 HydrophobicContact CD1-SD 4.28Å; L27-I57 HydrophobicContact CB-CD1 4.19Å; L27-I57 HydrophobicContact CD2-CD1 3.71Å; L27-I57 HydrophobicContact CG-CD1 4.37Å
28P92.9Very high85.6Confident58 Ų5862 Ų6238%0.37735%0.354SS..Hα-helixtrans-64.1-36.2175-2233.5000113.1E24 E25 L30 T32 M53E24-P28 WeakPolarHBondContact O-CD 3.18Å; E25-P28 WeakPolarHBondContact O-CD 3.42Å; P28-L30 VanDerWaalsContact C-N 3.34Å; P28-T32 WeakPolarHBondContact O-CB 3.44Å; P28-T32 WeakPolarHBondContact O-CG2 3.48Å; P28-T32 PolarHBondContact O-N 3.03Å; P28-T32 PolarHBondContact O-OG1 2.96Å; P28-M53 HydrophobicContact CB-CE 4.28Å; P28-M53 HydrophobicContact CG-CE 3.98Å; P28-M53 HydrophobicContact CG-SD 3.9Å
29T91.3Very high85.5Confident88 Ų8859.5 Ų59.554%0.5434%0.336SS..Hα-helixtrans-68.1-40.1176-56.30000110.4L26 L27 T32 S33L26-T29 PolarHBondContact O-N 3.04Å; L26-T29 VanDerWaalsContact O-N 3.15Å; L27-T29 VanDerWaalsContact C-N 3.32Å; L27-T29 PolarHBondContact O-N 2.81Å; T29-T32 PolarHBondContact O-OG1 3.09Å; T29-T32 VanDerWaalsContact O-OG1 3.12Å; T29-S33 VanDerWaalsContact O-CB 3.22Å; T29-S33 WeakPolarHBondContact O-CB 3.46Å; T29-S33 PolarHBondContact O-N 2.77Å; T29-S33 VanDerWaalsContact O-N 3.07Å; T29-S33 PolarHBondContact O-OG 2.94Å; T29-S33 VanDerWaalsContact O-OG 3.13Å
30L90.2Very high85.8Confident13 Ų1355.5 Ų55.57%0.06832%0.315CS..Hα-helixtrans-62.3-53.7175.9-174.659.6000110.7M16 I19 V20 L26 L27 P28 T32 S33 L34 M45 F50M16-L30 HydrophobicContact SD-CD1 3.74Å; I19-L30 HydrophobicContact CD1-CD1 4.4Å; V20-L30 HydrophobicContact CG2-CD2 4.18Å; L26-L30 WeakPolarHBondContact O-CB 3.49Å; L26-L30 PolarHBondContact O-N 3.05Å; L27-L30 HydrophobicContact CD2-CD2 4.45Å; L27-L30 WeakPolarHBondContact O-CB 3.49Å; L27-L30 PolarHBondContact O-N 2.89Å; P28-L30 VanDerWaalsContact C-N 3.34Å; L30-T32 VanDerWaalsContact C-N 3.34Å; L30-T32 PolarHBondContact O-N 2.76Å; L30-S33 PolarHBondContact O-N 3.4Å; L30-S33 PolarHBondContact O-OG 2.71Å; L30-L34 HydrophobicContact CD1-CD2 4.42Å; L30-L34 HydrophobicContact CD1-CG 4.38Å; L30-L34 HydrophobicContact CG-CD1 4.37Å; L30-L34 HydrophobicContact CG-CG 4.47Å; L30-L34 WeakPolarHBondContact O-CG 3.26Å; L30-L34 PolarHBondContact O-N 2.8Å; L30-M45 HydrophobicContact CD1-CE 4.14Å; L30-M45 HydrophobicContact CD2-CE 3.49Å; L30-M45 VanDerWaalsContact CD2-CE 3.49Å; L30-M45 HydrophobicContact CG-CE 3.9Å; L30-F50 HydrophobicContact CD2-CE1 4.35Å
31E93.8Very high86.4Confident62 Ų6255.4 Ų55.429%0.2932%0.315SS..Hα-helixtrans-51.2-49.1177.2-179.1-112.1150.800112.1L27 S33 P35 M53 E56 I57 A60L27-E31 VanDerWaalsContact O-CB 3.3Å; L27-E31 WeakPolarHBondContact O-CB 3.26Å; L27-E31 PolarHBondContact O-N 2.61Å; E31-S33 VanDerWaalsContact C-N 3.3Å; E31-S33 PolarHBondContact O-N 2.81Å; E31-P35 WeakPolarHBondContact O-CD 3.46Å; E31-M53 HydrophobicContact CB-CE 4.39Å; E31-E56 HydrophobicContact CG-CB 4.11Å; E31-I57 HydrophobicContact CB-CG1 4.11Å; E31-A60 HydrophobicContact CG-CB 4.26Å; E31-A60 VanDerWaalsContact O-CB 3.3Å; E31-A60 WeakPolarHBondContact O-CB 3.49Å
32T93.9Very high87.6Confident99 Ų9956.4 Ų56.461%0.60731%0.312SS*.Hα-helixtrans-71.2-22.1178.953.30000114.1P28 T29 L30P28-T32 WeakPolarHBondContact O-CB 3.44Å; P28-T32 WeakPolarHBondContact O-CG2 3.48Å; P28-T32 PolarHBondContact O-N 3.03Å; P28-T32 PolarHBondContact O-OG1 2.96Å; T29-T32 PolarHBondContact O-OG1 3.09Å; T29-T32 VanDerWaalsContact O-OG1 3.12Å; L30-T32 VanDerWaalsContact C-N 3.34Å; L30-T32 PolarHBondContact O-N 2.76Å
33S91.3Very high89.1Confident42 Ų4248.3 Ų48.329%0.29427%0.269SS..Hα-helixtrans-90.1-28.7-178.673.60000114.2T29 L30 E31 S36T29-S33 VanDerWaalsContact O-CB 3.22Å; T29-S33 WeakPolarHBondContact O-CB 3.46Å; T29-S33 PolarHBondContact O-N 2.77Å; T29-S33 VanDerWaalsContact O-N 3.07Å; T29-S33 PolarHBondContact O-OG 2.94Å; T29-S33 VanDerWaalsContact O-OG 3.13Å; L30-S33 PolarHBondContact O-N 3.4Å; L30-S33 PolarHBondContact O-OG 2.71Å; E31-S33 VanDerWaalsContact C-N 3.3Å; E31-S33 PolarHBondContact O-N 2.81Å; S33-S36 WeakPolarHBondContact O-CB 3.47Å; S33-S36 PolarHBondContact O-N 3.44Å; S33-S36 PolarHBondContact O-OG 2.81Å
34L92.2Very high90.6Very high0 Ų048.8 Ų48.80%026%0.261CS..G310 helixtrans-54.8-45.3-175.9-77.4167.7000113.8L30 S36 L37 L43 M45 I57 A60 L61 M64L30-L34 HydrophobicContact CD1-CD2 4.42Å; L30-L34 HydrophobicContact CD1-CG 4.38Å; L30-L34 HydrophobicContact CG-CD1 4.37Å; L30-L34 HydrophobicContact CG-CG 4.47Å; L30-L34 WeakPolarHBondContact O-CG 3.26Å; L30-L34 PolarHBondContact O-N 2.8Å; L34-S36 PolarHBondContact O-N 2.9Å; L34-L37 HydrophobicContact CD2-CD1 4.13Å; L34-L37 WeakPolarHBondContact O-CB 3.48Å; L34-L37 PolarHBondContact O-N 3.24Å; L34-L43 HydrophobicContact CD2-CD2 3.95Å; L34-M45 HydrophobicContact CD1-CE 4.03Å; L34-M45 HydrophobicContact CD2-CE 4.21Å; L34-M45 HydrophobicContact CD2-SD 4.08Å; L34-I57 HydrophobicContact CD1-CG2 3.91Å; L34-A60 HydrophobicContact CB-CB 4.05Å; L34-A60 HydrophobicContact CD1-CB 4.16Å; L34-L61 HydrophobicContact CD1-CD2 3.92Å; L34-L61 HydrophobicContact CD1-CG 4.11Å; L34-L61 HydrophobicContact CD2-CD2 3.89Å; L34-L61 HydrophobicContact CG-CD2 4.41Å; L34-M64 HydrophobicContact CB-SD 4.43Å; L34-M64 HydrophobicContact CD2-SD 4.18Å; L34-M64 WeakPolarHBondContact O-CG 3.48Å
35P91.9Very high91.4Very high45 Ų4544.8 Ų44.829%0.29224%0.242SC..G310 helixtrans-61.7-22.7-179.9-24.736.6000113.4E31 L37 A60 E63E31-P35 WeakPolarHBondContact O-CD 3.46Å; P35-L37 VanDerWaalsContact C-N 3.29Å; P35-L37 PolarHBondContact O-N 3.22Å; P35-A60 HydrophobicContact CG-CB 4.18Å; P35-E63 HydrophobicContact CB-CB 3.85Å; P35-E63 HydrophobicContact CG-CB 4.16Å
36S89.8Confident91.9Very high45 Ų4539 Ų3932%0.31521%0.213SC..G310 helixtrans-75.3-17.8178.2800000112.9A4 S33 L34 Q38A4-S36 CarbonylContact C-O 3.6Å; A4-S36 WeakPolarHBondContact CA-O 3.11Å; A4-S36 WeakPolarHBondContact CB-OG 3.42Å; S33-S36 WeakPolarHBondContact O-CB 3.47Å; S33-S36 PolarHBondContact O-N 3.44Å; S33-S36 PolarHBondContact O-OG 2.81Å; L34-S36 PolarHBondContact O-N 2.9Å; S36-Q38 PolarHBondContact O-N 2.74Å
37L88.1Confident92.2Very high17 Ų1736.3 Ų36.39%0.08920%0.199CC..  trans-79.956.4-174.2-59.5179.6000113L3 L14 M16 L34 P35 C39 V40 M64L3-L37 HydrophobicContact CB-CD2 4.35Å; L14-L37 HydrophobicContact CD2-CD1 3.82Å; M16-L37 HydrophobicContact CE-CD1 3.81Å; L34-L37 HydrophobicContact CD2-CD1 4.13Å; L34-L37 WeakPolarHBondContact O-CB 3.48Å; L34-L37 PolarHBondContact O-N 3.24Å; P35-L37 VanDerWaalsContact C-N 3.29Å; P35-L37 PolarHBondContact O-N 3.22Å; L37-C39 PolarHBondContact O-N 2.9Å; L37-C39 VanDerWaalsContact O-N 3.14Å; L37-V40 HydrophobicContact CB-CB 4.33Å; L37-V40 HydrophobicContact CB-CG2 3.88Å; L37-V40 PolarHBondContact O-N 2.94Å; L37-V40 VanDerWaalsContact O-N 3.16Å; L37-M64 HydrophobicContact CB-CE 3.88Å
38Q86Confident92.3Very high73 Ų7336.3 Ų36.334%0.34120%0.199SC..THydrogen-bonded Turntrans-64.4-20.7-172.1-63.1-171.1-9.100114.6S36 P65 N66S36-Q38 PolarHBondContact O-N 2.74Å; Q38-P65 HydrophobicContact CB-CG 4.39Å; Q38-P65 HydrophobicContact CG-CG 4.42Å; Q38-N66 PolarHBondContact O-ND2 2.79Å
39C87.9Confident92.3Very high2 Ų236.6 Ų36.61%0.01420%0.196CC..THydrogen-bonded Turntrans-87.4-12.617854.70000115L3 N6 I9 V12 L37 S41L3-C39 PolarHBondContact O-SG 3.04Å; N6-C39 VanDerWaalsContact O-CB 3.27Å; N6-C39 WeakPolarHBondContact O-CB 3.25Å; I9-C39 WeakPolarHBondContact O-CB 2.98Å; V12-C39 WeakPolarHBondContact CB-O 3.32Å; V12-C39 HydrophobicContact CG2-CB 3.97Å; L37-C39 PolarHBondContact O-N 2.9Å; L37-C39 VanDerWaalsContact O-N 3.14Å; C39-S41 PolarHBondContact O-N 3.16Å
40V91.5Very high92.4Very high0 Ų032.4 Ų32.40%017%0.17CC..EExtended strand (participates in β ladder)trans-77.1125.8-173.3177.30000110.2V12 L14 L37 L43 M64 N66V12-V40 HydrophobicContact CB-CG2 4.46Å; V12-V40 HydrophobicContact CG1-CG2 4.16Å; L14-V40 HydrophobicContact CB-CG1 3.97Å; L14-V40 HydrophobicContact CB-CG2 4.19Å; L14-V40 HydrophobicContact CD2-CG2 3.74Å; L37-V40 HydrophobicContact CB-CB 4.33Å; L37-V40 HydrophobicContact CB-CG2 3.88Å; L37-V40 PolarHBondContact O-N 2.94Å; L37-V40 VanDerWaalsContact O-N 3.16Å; V40-L43 HydrophobicContact CG1-CB 4.03Å; V40-M64 HydrophobicContact CB-CE 3.7Å; V40-M64 HydrophobicContact CG1-CE 3.93Å; V40-N66 CarbonylContact O-C 3.34Å
41S94Very high92.5Very high4 Ų432.6 Ų32.63%0.02817%0.171CC..EExtended strand (participates in β ladder)trans-110.4-31.7176.8-59.90000112.5N11 V12 C39 N66 E68 F69N11-S41 PolarHBondContact N-OG 3.43Å; V12-S41 PolarHBondContact O-N 3.47Å; C39-S41 PolarHBondContact O-N 3.16Å; S41-N66 VanDerWaalsContact CA-O 3.25Å; S41-N66 WeakPolarHBondContact CA-O 3.03Å; S41-N66 WeakPolarHBondContact CB-O 3.42Å; S41-N66 PolarHBondContact OG-O 3.41Å; S41-E68 PolarHBondContact O-N 3.23Å; S41-F69 PolarHBondContact O-N 3.19Å
42Y96.5Very high92.4Very high68 Ų6832.8 Ų32.827%0.26718%0.179SC..EExtended strand (participates in β ladder)trans-122.3111179.9-59.8-105.7000108.4V12 V13 L14 E68 F69V12-Y42 PolarHBondContact O-N 2.74Å; V13-Y42 CarbonylContact C-O 3.25Å; V13-Y42 WeakPolarHBondContact CA-O 3.2Å; V13-Y42 HydrophobicContact CG2-CD2 4.17Å; V13-Y42 HydrophobicContact CG2-CG 4.15Å; L14-Y42 PolarHBondContact N-O 3.1Å; Y42-E68 PolarHBondContact OH-OE2 3.14Å; Y42-F69 HydrophobicContact CD1-CB 3.34Å; Y42-F69 HydrophobicContact CD1-CD1 4.4Å; Y42-F69 AromaticContact CD1-CG 3.87Å; Y42-F69 HydrophobicContact CD1-CG 3.87Å; Y42-F69 HydrophobicContact CE1-CB 3.87Å; Y42-F69 HydrophobicContact CG-CB 3.98Å
43L96.1Very high92.4Very high0 Ų029.7 Ų29.70%016%0.158CC..EExtended strand (participates in β ladder)trans-118.9118.7-177-177.855.7000110.1L14 M16 L34 V40 M45 L61 M64 L67 F69 L70 D71L14-L43 HydrophobicContact CB-CD1 4.13Å; L14-L43 HydrophobicContact CD2-CD1 4.37Å; L14-L43 HydrophobicContact CG-CD1 4.17Å; L14-L43 WeakPolarHBondContact O-CA 3.22Å; M16-L43 HydrophobicContact CE-CD1 4.27Å; L34-L43 HydrophobicContact CD2-CD2 3.95Å; V40-L43 HydrophobicContact CG1-CB 4.03Å; L43-M45 HydrophobicContact CD1-CG 3.79Å; L43-M45 HydrophobicContact CD1-SD 4.19Å; L43-M45 HydrophobicContact CD2-CG 4.22Å; L43-M45 HydrophobicContact CD2-SD 3.6Å; L43-M45 HydrophobicContact CG-CG 3.76Å; L43-M45 HydrophobicContact CG-SD 3.84Å; L43-L61 HydrophobicContact CD2-CD2 3.42Å; L43-L61 VanDerWaalsContact CD2-CD2 3.42Å; L43-M64 HydrophobicContact CD2-CE 4.02Å; L43-M64 HydrophobicContact CD2-SD 3.87Å; L43-L67 HydrophobicContact CB-CD1 3.65Å; L43-L67 HydrophobicContact CD2-CD1 4.44Å; L43-F69 PolarHBondContact N-O 3.04Å; L43-L70 HydrophobicContact CB-CD1 4.32Å; L43-L70 HydrophobicContact CD2-CD1 4.3Å; L43-L70 HydrophobicContact CG-CD1 4.35Å; L43-L70 WeakPolarHBondContact O-CA 3.22Å; L43-D71 PolarHBondContact O-N 2.78Å
44H95.8Very high92.6Very high47 Ų4727.7 Ų27.722%0.21814%0.144CC..EExtended strand (participates in β ladder)trans-105.3124.8169.5-56.2-98.9000109.1L14 A15 M16 N17 F69 D71L14-H44 PolarHBondContact O-N 3.47Å; A15-H44 HydrophobicContact CB-CB 4.3Å; M16-H44 CarbonylContact C-O 3.46Å; M16-H44 WeakPolarHBondContact CA-O 3.27Å; M16-H44 PolarHBondContact N-O 3.34Å; N17-H44 WeakPolarHBondContact OD1-CB 3.4Å; N17-H44 PolarHBondContact OD1-O 3.2Å; H44-F69 AromaticContact CE1-CD1 3.99Å; H44-F69 AromaticContact CE1-CE1 3.11Å; H44-F69 WeakPolarHBondContact CE1-CE1 3.35Å; H44-F69 AromaticContact CE1-CZ 3.47Å; H44-F69 VanDerWaalsContact CE1-CZ 3.47Å; H44-F69 WeakPolarHBondContact CE1-CZ 3.27Å; H44-F69 AromaticContact ND1-CE1 3.42Å; H44-F69 WeakPolarHBondContact ND1-CE1 3.24Å; H44-F69 AromaticContact ND1-CZ 3.92Å; H44-F69 AromaticContact NE2-CE1 3.59Å; H44-D71 HydrophobicContact CB-CB 4.34Å; H44-D71 IonicContact ND1-OD2 2.81Å; H44-D71 PolarHBondContact ND1-OD2 3.45Å
45M94.8Very high92.8Very high0 Ų028 Ų280%015%0.146CC..  trans-136.334.6179.5-66.4175.576.500110.5M16 N17 L30 L34 L43 N48 F50 I57 L61 D71 I72 N76M16-M45 HydrophobicContact CB-CG 4.32Å; N17-M45 PolarHBondContact OD1-N 3.29Å; L30-M45 HydrophobicContact CD1-CE 4.14Å; L30-M45 HydrophobicContact CD2-CE 3.49Å; L30-M45 VanDerWaalsContact CD2-CE 3.49Å; L30-M45 HydrophobicContact CG-CE 3.9Å; L34-M45 HydrophobicContact CD1-CE 4.03Å; L34-M45 HydrophobicContact CD2-CE 4.21Å; L34-M45 HydrophobicContact CD2-SD 4.08Å; L43-M45 HydrophobicContact CD1-CG 3.79Å; L43-M45 HydrophobicContact CD1-SD 4.19Å; L43-M45 HydrophobicContact CD2-CG 4.22Å; L43-M45 HydrophobicContact CD2-SD 3.6Å; L43-M45 HydrophobicContact CG-CG 3.76Å; L43-M45 HydrophobicContact CG-SD 3.84Å; M45-N48 VanDerWaalsContact CA-ND2 3.3Å; M45-N48 WeakPolarHBondContact CA-ND2 3.35Å; M45-N48 PolarHBondContact O-ND2 3.3Å; M45-F50 HydrophobicContact CB-CZ 3.87Å; M45-F50 HydrophobicContact CE-CE1 3.69Å; M45-F50 HydrophobicContact CE-CZ 3.46Å; M45-F50 VanDerWaalsContact CE-CZ 3.46Å; M45-F50 HydrophobicContact SD-CZ 4.19Å; M45-I57 HydrophobicContact CE-CG2 4.13Å; M45-L61 HydrophobicContact SD-CD1 4.47Å; M45-L61 HydrophobicContact SD-CD2 3.98Å; M45-D71 CarbonylContact C-O 3.55Å; M45-D71 WeakPolarHBondContact CA-O 3.42Å; M45-D71 PolarHBondContact N-O 3.49Å; M45-I72 HydrophobicContact CB-CG2 4.35Å; M45-N76 PolarHBondContact O-ND2 3.02Å; M45-N76 PolarHBondContact O-OD1 3.17Å
46R94.4Very high93Very high56 Ų5629.1 Ų29.121%0.21115%0.147CC..THydrogen-bonded Turntrans-60.8144.4179.4-149.4-177.4-137.61101.3110.6N17 S18 N48 D71 G73 D109 S111N17-R46 CarbonylContact C-O 3.43Å; N17-R46 VanDerWaalsContact CA-O 3.24Å; N17-R46 WeakPolarHBondContact CA-O 3.31Å; N17-R46 HydrophobicContact CB-CB 4.36Å; N17-R46 PolarHBondContact OD1-N 3Å; S18-R46 PolarHBondContact N-O 3.22Å; R46-N48 VanDerWaalsContact C-N 3.34Å; R46-N48 PolarHBondContact O-N 2.85Å; R46-D71 IonicContact CZ-OD1 3.44Å; R46-D71 IonicContact CZ-OD2 3.03Å; R46-D71 IonicContact NE-OD1 3.59Å; R46-D71 IonicContact NH1-OD1 2.88Å; R46-D71 PolarHBondContact NH1-OD1 3.11Å; R46-D71 IonicContact NH1-OD2 3.41Å; R46-D71 PolarHBondContact NH1-OD2 3.45Å; R46-D71 IonicContact NH2-OD1 3.61Å; R46-G73 VanDerWaalsContact CG-O 3.23Å; R46-G73 WeakPolarHBondContact CG-O 3.32Å; R46-D109 IonicContact CZ-OD2 3.98Å; R46-D109 IonicContact NH1-OD2 3.4Å; R46-D109 PolarHBondContact NH1-OD2 3.43Å; R46-D109 IonicContact NH2-OD1 3.94Å; R46-D109 PolarHBondContact NH2-OD1 3.22Å; R46-D109 IonicContact NH2-OD2 2.74Å; R46-D109 PolarHBondContact NH2-OD2 2.81Å; R46-S111 PolarHBondContact NH2-OG 3.11Å
47D93.5Very high93.3Very high44 Ų4427 Ų2724%0.23513%0.132CC..THydrogen-bonded Turntrans58.237.8168.9-59-55.7000115.2S18 G73 G74 K75S18-D47 VanDerWaalsContact CA-O 3.28Å; S18-D47 WeakPolarHBondContact CA-O 3.32Å; S18-D47 WeakPolarHBondContact OG-CB 3.22Å; D47-G73 PolarHBondContact N-O 3.2Å; D47-G74 VanDerWaalsContact OD1-CA 3.31Å; D47-G74 WeakPolarHBondContact OD1-CA 3.37Å; D47-K75 PolarHBondContact OD1-N 3.05Å
48N93Very high93.6Very high0 Ų026.1 Ų26.10%013%0.128CC..  trans-97.45.4175.2-75.8-52.6000114.6M16 S18 I19 V20 M45 R46 F50 N76M16-N48 PolarHBondContact O-ND2 3.11Å; M16-N48 PolarHBondContact O-OD1 3.26Å; S18-N48 PolarHBondContact N-OD1 3Å; I19-N48 WeakPolarHBondContact CG1-OD1 3.08Å; I19-N48 PolarHBondContact N-OD1 3.13Å; V20-N48 HydrophobicContact CB-CB 4.49Å; V20-N48 HydrophobicContact CG2-CB 4.42Å; V20-N48 PolarHBondContact N-OD1 3.31Å; M45-N48 VanDerWaalsContact CA-ND2 3.3Å; M45-N48 WeakPolarHBondContact CA-ND2 3.35Å; M45-N48 PolarHBondContact O-ND2 3.3Å; R46-N48 VanDerWaalsContact C-N 3.34Å; R46-N48 PolarHBondContact O-N 2.85Å; N48-F50 VanDerWaalsContact C-N 3.3Å; N48-F50 HydrophobicContact CB-CD1 3.8Å; N48-F50 HydrophobicContact CB-CE1 3.42Å; N48-F50 VanDerWaalsContact CB-CE1 3.42Å; N48-F50 HydrophobicContact CB-CZ 4.32Å; N48-F50 PolarHBondContact O-N 2.8Å; N48-N76 VanDerWaalsContact CA-OD1 3.29Å; N48-N76 WeakPolarHBondContact CA-OD1 3.35Å; N48-N76 WeakPolarHBondContact CB-OD1 3.41Å; N48-N76 PolarHBondContact N-OD1 3.22Å
49E92.6Very high94.1Very high64 Ų6426.7 Ų26.730%0.29913%0.133SC..  trans53.844.9172.9-57.3-167.4-165.400113.2N51 K75 N76E49-N51 PolarHBondContact O-N 3.06Å; E49-N51 VanDerWaalsContact O-N 3.13Å; E49-N51 PolarHBondContact O-ND2 2.91Å; E49-N51 VanDerWaalsContact O-ND2 3.14Å; E49-K75 WeakPolarHBondContact CA-O 3.15Å; E49-K75 HydrophobicContact CG-CB 4.25Å; E49-N76 PolarHBondContact N-OD1 3.49Å
50F93.4Very high94.5Very high0 Ų026.8 Ų26.80%013%0.134CC..  trans-52.4-37.4178.1-56.8-22.8000112.4L27 L30 M45 N48 S52 M53 A54 I57 I72 N76L27-F50 HydrophobicContact CD2-CD1 3.94Å; L30-F50 HydrophobicContact CD2-CE1 4.35Å; M45-F50 HydrophobicContact CB-CZ 3.87Å; M45-F50 HydrophobicContact CE-CE1 3.69Å; M45-F50 HydrophobicContact CE-CZ 3.46Å; M45-F50 VanDerWaalsContact CE-CZ 3.46Å; M45-F50 HydrophobicContact SD-CZ 4.19Å; N48-F50 VanDerWaalsContact C-N 3.3Å; N48-F50 HydrophobicContact CB-CD1 3.8Å; N48-F50 HydrophobicContact CB-CE1 3.42Å; N48-F50 VanDerWaalsContact CB-CE1 3.42Å; N48-F50 HydrophobicContact CB-CZ 4.32Å; N48-F50 PolarHBondContact O-N 2.8Å; F50-S52 PolarHBondContact O-N 3.48Å; F50-M53 WeakPolarHBondContact O-CA 3.27Å; F50-M53 PolarHBondContact O-N 3.44Å; F50-A54 HydrophobicContact CB-CB 3.83Å; F50-A54 PolarHBondContact O-N 3.41Å; F50-I57 HydrophobicContact CB-CD1 3.91Å; F50-I57 HydrophobicContact CD1-CD1 3.44Å; F50-I57 VanDerWaalsContact CD1-CD1 3.44Å; F50-I57 HydrophobicContact CD1-CG2 4.3Å; F50-I57 HydrophobicContact CD2-CB 4.49Å; F50-I57 HydrophobicContact CD2-CD1 4.46Å; F50-I57 HydrophobicContact CD2-CG2 4.08Å; F50-I57 HydrophobicContact CE1-CD1 4.01Å; F50-I57 HydrophobicContact CE1-CG2 4.03Å; F50-I57 HydrophobicContact CE2-CG2 3.83Å; F50-I57 HydrophobicContact CG-CD1 3.7Å; F50-I57 HydrophobicContact CG-CG2 4.32Å; F50-I57 HydrophobicContact CZ-CG2 3.8Å; F50-I72 HydrophobicContact CE2-CB 4.21Å; F50-I72 HydrophobicContact CE2-CG2 3.94Å; F50-I72 HydrophobicContact CZ-CG2 4.37Å; F50-N76 HydrophobicContact CB-CB 4.42Å; F50-N76 WeakPolarHBondContact CB-O 3.43Å; F50-N76 HydrophobicContact CD2-CB 3.67Å; F50-N76 HydrophobicContact CE2-CB 4.06Å; F50-N76 HydrophobicContact CG-CB 4.01Å; F50-N76 PolarHBondContact N-O 3.01Å
51N92Very high94.7Very high17 Ų1726.9 Ų26.99%0.09114%0.135CC..G310 helixtrans45.3-113.5173.2-58.6-25.2000110.6E24 E49 M53 A54 N76 N78 T86E24-N51 WeakPolarHBondContact OE1-CB 3.31Å; E24-N51 PolarHBondContact OE1-ND2 2.84Å; E49-N51 PolarHBondContact O-N 3.06Å; E49-N51 VanDerWaalsContact O-N 3.13Å; E49-N51 PolarHBondContact O-ND2 2.91Å; E49-N51 VanDerWaalsContact O-ND2 3.14Å; N51-M53 VanDerWaalsContact C-N 3.27Å; N51-M53 PolarHBondContact O-N 3.34Å; N51-A54 VanDerWaalsContact O-CB 3.32Å; N51-A54 WeakPolarHBondContact O-CB 3.36Å; N51-A54 PolarHBondContact O-N 3.15Å; N51-N76 PolarHBondContact N-O 2.9Å; N51-N78 PolarHBondContact OD1-N 2.71Å; N51-N78 PolarHBondContact OD1-O 3.22Å; N51-T86 WeakPolarHBondContact O-CG2 3.11Å
52S92.1Very high94.6Very high65 Ų6528.8 Ų28.846%0.45515%0.148SC..G310 helixtrans-65-25.1-177.9670000114.5F50F50-S52 PolarHBondContact O-N 3.48Å
53M93.4Very high94.4Very high35 Ų3531.2 Ų31.217%0.17216%0.162CC..G310 helixtrans-93.95178.5-64.3-166.264.100113.6L27 P28 E31 F50 N51 P55 E56 I57L27-M53 HydrophobicContact CB-CE 4.27Å; L27-M53 HydrophobicContact CB-SD 3.48Å; L27-M53 WeakPolarHBondContact CB-SD 3.04Å; L27-M53 HydrophobicContact CD1-CB 4.23Å; L27-M53 HydrophobicContact CD1-CG 4.4Å; L27-M53 HydrophobicContact CD1-SD 4.28Å; P28-M53 HydrophobicContact CB-CE 4.28Å; P28-M53 HydrophobicContact CG-CE 3.98Å; P28-M53 HydrophobicContact CG-SD 3.9Å; E31-M53 HydrophobicContact CB-CE 4.39Å; F50-M53 WeakPolarHBondContact O-CA 3.27Å; F50-M53 PolarHBondContact O-N 3.44Å; N51-M53 VanDerWaalsContact C-N 3.27Å; N51-M53 PolarHBondContact O-N 3.34Å; M53-P55 VanDerWaalsContact C-CD 3.46Å; M53-P55 VanDerWaalsContact C-N 3.34Å; M53-E56 WeakPolarHBondContact CA-OE2 2.84Å; M53-E56 PolarHBondContact O-N 3.4Å; M53-I57 HydrophobicContact CB-CD1 4.14Å; M53-I57 HydrophobicContact CB-CG1 4.45Å; M53-I57 WeakPolarHBondContact O-CG1 3.45Å; M53-I57 PolarHBondContact O-N 2.83Å
54A95Very high94.2Very high0 Ų031.7 Ų31.70%016%0.164CC..Hα-helixtrans-54.3-42.7-179.700000113.3F50 N51 E56 V58 F77 T86 A90F50-A54 HydrophobicContact CB-CB 3.83Å; F50-A54 PolarHBondContact O-N 3.41Å; N51-A54 VanDerWaalsContact O-CB 3.32Å; N51-A54 WeakPolarHBondContact O-CB 3.36Å; N51-A54 PolarHBondContact O-N 3.15Å; A54-E56 PolarHBondContact O-N 3.01Å; A54-V58 VanDerWaalsContact O-CB 3.32Å; A54-V58 WeakPolarHBondContact O-CB 3.35Å; A54-V58 WeakPolarHBondContact O-CG2 3.3Å; A54-V58 PolarHBondContact O-N 3.01Å; A54-F77 HydrophobicContact CB-CD1 3.93Å; A54-F77 HydrophobicContact CB-CE1 3.8Å; A54-T86 HydrophobicContact CB-CG2 4.4Å; A54-A90 HydrophobicContact CB-CB 4.11Å
55P96.1Very high93.9Very high7 Ų732.5 Ų32.55%0.04517%0.174CC..Hα-helixtrans-61.5-42.2177.1-23.334.7000113.5M53 N59 T86 R89 A90M53-P55 VanDerWaalsContact C-CD 3.46Å; M53-P55 VanDerWaalsContact C-N 3.34Å; P55-N59 VanDerWaalsContact O-CB 3.31Å; P55-N59 WeakPolarHBondContact O-CB 3.44Å; P55-N59 PolarHBondContact O-N 2.88Å; P55-T86 HydrophobicContact CG-CG2 4.12Å; P55-R89 HydrophobicContact CB-CB 4.14Å; P55-R89 HydrophobicContact CG-CB 3.9Å; P55-A90 HydrophobicContact CG-CB 4.27Å
56E96.3Very high93.7Very high67 Ų6734.9 Ų34.931%0.31319%0.186SC..Hα-helixtrans-68.9-44.5-178.6-67.170.2-156.900110.9E31 M53 A54 N59 A60E31-E56 HydrophobicContact CG-CB 4.11Å; M53-E56 WeakPolarHBondContact CA-OE2 2.84Å; M53-E56 PolarHBondContact O-N 3.4Å; A54-E56 PolarHBondContact O-N 3.01Å; E56-N59 WeakPolarHBondContact O-CB 3.39Å; E56-N59 PolarHBondContact O-N 3.36Å; E56-A60 PolarHBondContact O-N 2.99Å
57I95.9Very high93.7Very high0 Ų032.6 Ų32.60%018%0.178CC..Hα-helixtrans-64.4-45.8176.7-68.8171.4000110.8L27 E31 L34 M45 F50 M53 N59 A60 L61L27-I57 HydrophobicContact CB-CD1 4.19Å; L27-I57 HydrophobicContact CD2-CD1 3.71Å; L27-I57 HydrophobicContact CG-CD1 4.37Å; E31-I57 HydrophobicContact CB-CG1 4.11Å; L34-I57 HydrophobicContact CD1-CG2 3.91Å; M45-I57 HydrophobicContact CE-CG2 4.13Å; F50-I57 HydrophobicContact CB-CD1 3.91Å; F50-I57 HydrophobicContact CD1-CD1 3.44Å; F50-I57 VanDerWaalsContact CD1-CD1 3.44Å; F50-I57 HydrophobicContact CD1-CG2 4.3Å; F50-I57 HydrophobicContact CD2-CB 4.49Å; F50-I57 HydrophobicContact CD2-CD1 4.46Å; F50-I57 HydrophobicContact CD2-CG2 4.08Å; F50-I57 HydrophobicContact CE1-CD1 4.01Å; F50-I57 HydrophobicContact CE1-CG2 4.03Å; F50-I57 HydrophobicContact CE2-CG2 3.83Å; F50-I57 HydrophobicContact CG-CD1 3.7Å; F50-I57 HydrophobicContact CG-CG2 4.32Å; F50-I57 HydrophobicContact CZ-CG2 3.8Å; M53-I57 HydrophobicContact CB-CD1 4.14Å; M53-I57 HydrophobicContact CB-CG1 4.45Å; M53-I57 WeakPolarHBondContact O-CG1 3.45Å; M53-I57 PolarHBondContact O-N 2.83Å; I57-N59 PolarHBondContact O-N 2.91Å; I57-A60 WeakPolarHBondContact O-CB 2.98Å; I57-A60 PolarHBondContact O-N 3.12Å; I57-A60 VanDerWaalsContact O-N 3.14Å; I57-L61 HydrophobicContact CG2-CD1 4.46Å; I57-L61 WeakPolarHBondContact O-CG 3.4Å; I57-L61 PolarHBondContact O-N 3.39Å
58V96.2Very high93.8Very high0 Ų033.1 Ų33.10%018%0.179CC..Hα-helixtrans-61-37.9174.9172.10000110.9A54 L61 S62 I72 A90 T93 L94 I97A54-V58 VanDerWaalsContact O-CB 3.32Å; A54-V58 WeakPolarHBondContact O-CB 3.35Å; A54-V58 WeakPolarHBondContact O-CG2 3.3Å; A54-V58 PolarHBondContact O-N 3.01Å; V58-L61 WeakPolarHBondContact O-CB 3.14Å; V58-L61 PolarHBondContact O-N 3.5Å; V58-S62 PolarHBondContact O-N 3.41Å; V58-I72 HydrophobicContact CG2-CD1 4.42Å; V58-A90 HydrophobicContact CG2-CB 4.36Å; V58-T93 HydrophobicContact CB-CG2 4.43Å; V58-T93 HydrophobicContact CG1-CG2 3.73Å; V58-L94 HydrophobicContact CG1-CB 4.43Å; V58-L94 HydrophobicContact CG1-CD2 3.84Å; V58-L94 HydrophobicContact CG1-CG 3.62Å; V58-L94 HydrophobicContact CG2-CG 4.4Å; V58-I97 HydrophobicContact CG1-CD1 3.94Å; V58-I97 WeakPolarHBondContact O-CD1 3.26Å
59N96.2Very high94Very high85 Ų8534.5 Ų34.546%0.45519%0.185SC..Hα-helixtrans-64.1-41.8175.1-169.675.5000111.7P55 E56 I57 L61 S62 T93P55-N59 VanDerWaalsContact O-CB 3.31Å; P55-N59 WeakPolarHBondContact O-CB 3.44Å; P55-N59 PolarHBondContact O-N 2.88Å; E56-N59 WeakPolarHBondContact O-CB 3.39Å; E56-N59 PolarHBondContact O-N 3.36Å; I57-N59 PolarHBondContact O-N 2.91Å; N59-L61 VanDerWaalsContact C-N 3.29Å; N59-L61 PolarHBondContact O-N 2.73Å; N59-S62 VanDerWaalsContact O-CB 3.27Å; N59-S62 WeakPolarHBondContact O-CB 3.42Å; N59-S62 PolarHBondContact O-N 3.05Å; N59-S62 PolarHBondContact O-OG 3.45Å; N59-T93 HydrophobicContact CB-CG2 3.96Å
60A96Very high94.2Very high4 Ų431.4 Ų31.43%0.03317%0.171CC..Hα-helixtrans-62.6-35.5174.800000112.7E31 L34 P35 E56 I57 S62 E63E31-A60 HydrophobicContact CG-CB 4.26Å; E31-A60 VanDerWaalsContact O-CB 3.3Å; E31-A60 WeakPolarHBondContact O-CB 3.49Å; L34-A60 HydrophobicContact CB-CB 4.05Å; L34-A60 HydrophobicContact CD1-CB 4.16Å; P35-A60 HydrophobicContact CG-CB 4.18Å; E56-A60 PolarHBondContact O-N 2.99Å; I57-A60 WeakPolarHBondContact O-CB 2.98Å; I57-A60 PolarHBondContact O-N 3.12Å; I57-A60 VanDerWaalsContact O-N 3.14Å; A60-S62 PolarHBondContact O-N 3.28Å; A60-E63 PolarHBondContact O-N 2.88Å
61L94.9Very high94.4Very high1 Ų131.6 Ų31.61%0.00517%0.172CC..Hα-helixtrans-63.7-27.7173.1-67.2171000112.8L34 L43 M45 I57 V58 N59 E63 M64 L70 I72L34-L61 HydrophobicContact CD1-CD2 3.92Å; L34-L61 HydrophobicContact CD1-CG 4.11Å; L34-L61 HydrophobicContact CD2-CD2 3.89Å; L34-L61 HydrophobicContact CG-CD2 4.41Å; L43-L61 HydrophobicContact CD2-CD2 3.42Å; L43-L61 VanDerWaalsContact CD2-CD2 3.42Å; M45-L61 HydrophobicContact SD-CD1 4.47Å; M45-L61 HydrophobicContact SD-CD2 3.98Å; I57-L61 HydrophobicContact CG2-CD1 4.46Å; I57-L61 WeakPolarHBondContact O-CG 3.4Å; I57-L61 PolarHBondContact O-N 3.39Å; V58-L61 WeakPolarHBondContact O-CB 3.14Å; V58-L61 PolarHBondContact O-N 3.5Å; N59-L61 VanDerWaalsContact C-N 3.29Å; N59-L61 PolarHBondContact O-N 2.73Å; L61-E63 PolarHBondContact O-N 3.43Å; L61-M64 HydrophobicContact CD2-SD 3.75Å; L61-M64 WeakPolarHBondContact O-CB 3.15Å; L61-M64 PolarHBondContact O-N 2.84Å; L61-L70 HydrophobicContact CD1-CD1 3.86Å; L61-L70 HydrophobicContact CD1-CD2 3.89Å; L61-L70 HydrophobicContact CD1-CG 4.5Å; L61-L70 HydrophobicContact CD2-CD1 4.18Å; L61-I72 HydrophobicContact CD1-CG2 4.1Å
62S92.8Very high94.6Very high44 Ų4430.8 Ų30.831%0.30817%0.168SC..Hα-helixtrans-66.3-22.217782.10000113.6V58 N59 A60 M64 I97V58-S62 PolarHBondContact O-N 3.41Å; N59-S62 VanDerWaalsContact O-CB 3.27Å; N59-S62 WeakPolarHBondContact O-CB 3.42Å; N59-S62 PolarHBondContact O-N 3.05Å; N59-S62 PolarHBondContact O-OG 3.45Å; A60-S62 PolarHBondContact O-N 3.28Å; S62-M64 VanDerWaalsContact C-N 3.31Å; S62-I97 VanDerWaalsContact CB-CG1 3.4Å
63E92.9Very high94.7Very high120 Ų12027.7 Ų27.756%0.56115%0.146SC*.THydrogen-bonded Turntrans-85.9-2.7180-61.9-67.3153.900112.5P35 A60 L61 P65P35-E63 HydrophobicContact CB-CB 3.85Å; P35-E63 HydrophobicContact CG-CB 4.16Å; A60-E63 PolarHBondContact O-N 2.88Å; L61-E63 PolarHBondContact O-N 3.43Å; E63-P65 VanDerWaalsContact O-CD 3.26Å; E63-P65 WeakPolarHBondContact O-CD 3.49Å
64M91.5Very high94.8Very high10 Ų1026.3 Ų26.35%0.04914%0.141CC..  trans-84.7107.4178.1-65.2-177.962.100110.9L34 L37 V40 L43 L61 S62 N66 L67L34-M64 HydrophobicContact CB-SD 4.43Å; L34-M64 HydrophobicContact CD2-SD 4.18Å; L34-M64 WeakPolarHBondContact O-CG 3.48Å; L37-M64 HydrophobicContact CB-CE 3.88Å; V40-M64 HydrophobicContact CB-CE 3.7Å; V40-M64 HydrophobicContact CG1-CE 3.93Å; L43-M64 HydrophobicContact CD2-CE 4.02Å; L43-M64 HydrophobicContact CD2-SD 3.87Å; L61-M64 HydrophobicContact CD2-SD 3.75Å; L61-M64 WeakPolarHBondContact O-CB 3.15Å; L61-M64 PolarHBondContact O-N 2.84Å; S62-M64 VanDerWaalsContact C-N 3.31Å; M64-N66 VanDerWaalsContact C-N 3.32Å; M64-N66 PolarHBondContact O-N 3Å; M64-L67 HydrophobicContact CB-CB 4.09Å; M64-L67 HydrophobicContact CE-CD1 4.28Å
65P88.6Confident94.7Very high64 Ų6432.3 Ų32.342%0.41617%0.167SC..THydrogen-bonded Turntrans-75.1-18.3-166.930.4-37.4000114.6Q38 E63Q38-P65 HydrophobicContact CB-CG 4.39Å; Q38-P65 HydrophobicContact CG-CG 4.42Å; E63-P65 VanDerWaalsContact O-CD 3.26Å; E63-P65 WeakPolarHBondContact O-CD 3.49Å
66N90.9Very high94.5Very high50 Ų5032 Ų3227%0.26716%0.164SC..THydrogen-bonded Turntrans-113.38.4-173.5-70.6-45.8000113.8Q38 V40 S41 M64 E68 K104Q38-N66 PolarHBondContact O-ND2 2.79Å; V40-N66 CarbonylContact O-C 3.34Å; S41-N66 VanDerWaalsContact CA-O 3.25Å; S41-N66 WeakPolarHBondContact CA-O 3.03Å; S41-N66 WeakPolarHBondContact CB-O 3.42Å; S41-N66 PolarHBondContact OG-O 3.41Å; M64-N66 VanDerWaalsContact C-N 3.32Å; M64-N66 PolarHBondContact O-N 3Å; N66-E68 PolarHBondContact O-N 3.46Å; N66-K104 PolarHBondContact OD1-NZ 3.44Å
67L94.1Very high94.4Very high7 Ų729 Ų294%0.03715%0.15CC..  trans-68.5115.2-179-169.966.7000110.5L43 M64 F69 L70 K104 L105L43-L67 HydrophobicContact CB-CD1 3.65Å; L43-L67 HydrophobicContact CD2-CD1 4.44Å; M64-L67 HydrophobicContact CB-CB 4.09Å; M64-L67 HydrophobicContact CE-CD1 4.28Å; L67-F69 VanDerWaalsContact CD1-O 3.29Å; L67-F69 WeakPolarHBondContact CD1-O 3.34Å; L67-L70 HydrophobicContact CD2-CB 4.2Å; L67-L70 HydrophobicContact CD2-CD1 4.27Å; L67-L70 HydrophobicContact CD2-CD2 4.31Å; L67-L70 HydrophobicContact CD2-CG 4.5Å; L67-K104 CarbonylContact O-C 3.51Å; L67-L105 HydrophobicContact CD2-CD1 4.46Å; L67-L105 HydrophobicContact CG-CD1 4.25Å; L67-L105 WeakPolarHBondContact O-CA 3.35Å; L67-L105 PolarHBondContact O-N 3.44Å
68E95.9Very high94.2Very high55 Ų5534 Ų3426%0.25718%0.178SC..  trans-108.5-33.6-179.9-70.7177.5-170.700111.6S41 Y42 N66 K104 A106 E107S41-E68 PolarHBondContact O-N 3.23Å; Y42-E68 PolarHBondContact OH-OE2 3.14Å; N66-E68 PolarHBondContact O-N 3.46Å; E68-K104 HydrophobicContact CG-CB 4.08Å; E68-A106 PolarHBondContact O-N 3.04Å; E68-E107 PolarHBondContact O-N 3.25Å
69F96.9Very high93.9Very high29 Ų2935.3 Ų35.313%0.12719%0.185CC..EExtended strand (participates in β ladder)trans-128.3131.7177.4173.8-77.2000110.1S41 Y42 L43 H44 L67 D71 E107S41-F69 PolarHBondContact O-N 3.19Å; Y42-F69 HydrophobicContact CD1-CB 3.34Å; Y42-F69 HydrophobicContact CD1-CD1 4.4Å; Y42-F69 AromaticContact CD1-CG 3.87Å; Y42-F69 HydrophobicContact CD1-CG 3.87Å; Y42-F69 HydrophobicContact CE1-CB 3.87Å; Y42-F69 HydrophobicContact CG-CB 3.98Å; L43-F69 PolarHBondContact N-O 3.04Å; H44-F69 AromaticContact CE1-CD1 3.99Å; H44-F69 AromaticContact CE1-CE1 3.11Å; H44-F69 WeakPolarHBondContact CE1-CE1 3.35Å; H44-F69 AromaticContact CE1-CZ 3.47Å; H44-F69 VanDerWaalsContact CE1-CZ 3.47Å; H44-F69 WeakPolarHBondContact CE1-CZ 3.27Å; H44-F69 AromaticContact ND1-CE1 3.42Å; H44-F69 WeakPolarHBondContact ND1-CE1 3.24Å; H44-F69 AromaticContact ND1-CZ 3.92Å; H44-F69 AromaticContact NE2-CE1 3.59Å; L67-F69 VanDerWaalsContact CD1-O 3.29Å; L67-F69 WeakPolarHBondContact CD1-O 3.34Å; F69-D71 HydrophobicContact CE1-CB 3.57Å; F69-D71 HydrophobicContact CZ-CB 3.84Å; F69-E107 WeakPolarHBondContact CA-O 2.98Å; F69-E107 HydrophobicContact CB-CB 4.21Å; F69-E107 HydrophobicContact CD2-CB 3.48Å; F69-E107 VanDerWaalsContact CD2-CB 3.48Å; F69-E107 HydrophobicContact CD2-CG 4.21Å; F69-E107 HydrophobicContact CE2-CB 4.22Å; F69-E107 HydrophobicContact CG-CB 4.22Å
70L97.5Very high93.5Very high0 Ų041.9 Ų41.90%020%0.204CC..EExtended strand (participates in β ladder)trans-131.6121.3175.3-179.561.5000110.9L43 L61 L67 I72 L94 L105 E107 L108 D109L43-L70 HydrophobicContact CB-CD1 4.32Å; L43-L70 HydrophobicContact CD2-CD1 4.3Å; L43-L70 HydrophobicContact CG-CD1 4.35Å; L43-L70 WeakPolarHBondContact O-CA 3.22Å; L61-L70 HydrophobicContact CD1-CD1 3.86Å; L61-L70 HydrophobicContact CD1-CD2 3.89Å; L61-L70 HydrophobicContact CD1-CG 4.5Å; L61-L70 HydrophobicContact CD2-CD1 4.18Å; L67-L70 HydrophobicContact CD2-CB 4.2Å; L67-L70 HydrophobicContact CD2-CD1 4.27Å; L67-L70 HydrophobicContact CD2-CD2 4.31Å; L67-L70 HydrophobicContact CD2-CG 4.5Å; L70-I72 HydrophobicContact CD1-CG2 3.63Å; L70-I72 HydrophobicContact CD2-CD1 4.18Å; L70-I72 HydrophobicContact CD2-CG2 4.21Å; L70-I72 HydrophobicContact CG-CG1 4.44Å; L70-I72 HydrophobicContact CG-CG2 3.85Å; L70-L94 HydrophobicContact CD2-CD2 4.26Å; L70-L105 HydrophobicContact CB-CD1 3.7Å; L70-E107 PolarHBondContact N-O 3.21Å; L70-L108 HydrophobicContact CB-CD1 4.19Å; L70-L108 HydrophobicContact CD2-CD1 4.04Å; L70-L108 HydrophobicContact CG-CD1 4.2Å; L70-L108 CarbonylContact O-C 3.42Å; L70-L108 WeakPolarHBondContact O-CA 3.43Å; L70-D109 PolarHBondContact O-N 2.88Å
71D97.3Very high92.9Very high4 Ų453.9 Ų53.92%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-111.4110.6167.9172.714.8000109.7L43 H44 M45 R46 F69 G73 D109L43-D71 PolarHBondContact O-N 2.78Å; H44-D71 HydrophobicContact CB-CB 4.34Å; H44-D71 IonicContact ND1-OD2 2.81Å; H44-D71 PolarHBondContact ND1-OD2 3.45Å; M45-D71 CarbonylContact C-O 3.55Å; M45-D71 WeakPolarHBondContact CA-O 3.42Å; M45-D71 PolarHBondContact N-O 3.49Å; R46-D71 IonicContact CZ-OD1 3.44Å; R46-D71 IonicContact CZ-OD2 3.03Å; R46-D71 IonicContact NE-OD1 3.59Å; R46-D71 IonicContact NH1-OD1 2.88Å; R46-D71 PolarHBondContact NH1-OD1 3.11Å; R46-D71 IonicContact NH1-OD2 3.41Å; R46-D71 PolarHBondContact NH1-OD2 3.45Å; R46-D71 IonicContact NH2-OD1 3.61Å; F69-D71 HydrophobicContact CE1-CB 3.57Å; F69-D71 HydrophobicContact CZ-CB 3.84Å; D71-G73 PolarHBondContact OD1-N 3.02Å; D71-G73 VanDerWaalsContact OD1-N 3.07Å; D71-D109 WeakPolarHBondContact CA-O 3.43Å; D71-D109 HydrophobicContact CB-CB 4.02Å
72I96.3Very high92.5Very high0 Ų057.7 Ų57.70%029%0.288CS..  trans-124.422.3175.954.6175000110.6M45 F50 V58 L61 L70 N76 F77 L94 L108 D109 I110M45-I72 HydrophobicContact CB-CG2 4.35Å; F50-I72 HydrophobicContact CE2-CB 4.21Å; F50-I72 HydrophobicContact CE2-CG2 3.94Å; F50-I72 HydrophobicContact CZ-CG2 4.37Å; V58-I72 HydrophobicContact CG2-CD1 4.42Å; L61-I72 HydrophobicContact CD1-CG2 4.1Å; L70-I72 HydrophobicContact CD1-CG2 3.63Å; L70-I72 HydrophobicContact CD2-CD1 4.18Å; L70-I72 HydrophobicContact CD2-CG2 4.21Å; L70-I72 HydrophobicContact CG-CG1 4.44Å; L70-I72 HydrophobicContact CG-CG2 3.85Å; I72-N76 VanDerWaalsContact C-ND2 3.26Å; I72-N76 WeakPolarHBondContact CA-ND2 3.15Å; I72-N76 PolarHBondContact O-ND2 3.39Å; I72-F77 HydrophobicContact CD1-CE2 4.31Å; I72-F77 HydrophobicContact CD1-CZ 4.02Å; I72-F77 HydrophobicContact CG1-CE2 4.39Å; I72-F77 WeakPolarHBondContact O-CE2 3.33Å; I72-L94 HydrophobicContact CD1-CD1 3.79Å; I72-L94 HydrophobicContact CD1-CD2 3.89Å; I72-L94 HydrophobicContact CD1-CG 4.37Å; I72-L108 HydrophobicContact CD1-CD1 4.42Å; I72-L108 HydrophobicContact CG1-CD1 4.38Å; I72-D109 PolarHBondContact N-O 3.42Å; I72-I110 HydrophobicContact CD1-CD1 4.14Å; I72-I110 HydrophobicContact CG1-CB 4.45Å; I72-I110 HydrophobicContact CG1-CD1 4.38Å; I72-I110 HydrophobicContact CG1-CG1 4.22Å
73G95.1Very high92.4Very high0 Ų058 Ų580%029%0.286CS..  trans-66.9-174177.700000113.8R46 D47 D71 N76 D109 S111R46-G73 VanDerWaalsContact CG-O 3.23Å; R46-G73 WeakPolarHBondContact CG-O 3.32Å; D47-G73 PolarHBondContact N-O 3.2Å; D71-G73 PolarHBondContact OD1-N 3.02Å; D71-G73 VanDerWaalsContact OD1-N 3.07Å; G73-N76 PolarHBondContact O-ND2 3.09Å; G73-D109 PolarHBondContact N-O 2.92Å; G73-S111 CarbonylContact C-O 3.54Å; G73-S111 WeakPolarHBondContact CA-O 3.48Å
74G94Very high92.3Very high6 Ų656.9 Ų56.96%0.06229%0.291CS..SBendtrans70.5-145.4178.100000112.5D47 N76 S111 N112 A113D47-G74 VanDerWaalsContact OD1-CA 3.31Å; D47-G74 WeakPolarHBondContact OD1-CA 3.37Å; G74-N76 PolarHBondContact O-N 2.75Å; G74-S111 PolarHBondContact N-O 3.15Å; G74-N112 CarbonylContact C-O 3.54Å; G74-N112 WeakPolarHBondContact CA-O 3.22Å; G74-N112 VanDerWaalsContact O-O 3.14Å; G74-A113 WeakPolarHBondContact O-CA 3.26Å
75K92.6Very high92.5Very high125 Ų12560 Ų6054%0.54331%0.311SS..G310 helixtrans-73.715.7-168.4-62.8178.1-177175.60115.6D47 E49 F77D47-K75 PolarHBondContact OD1-N 3.05Å; E49-K75 WeakPolarHBondContact CA-O 3.15Å; E49-K75 HydrophobicContact CG-CB 4.25Å; K75-F77 VanDerWaalsContact C-N 3.27Å; K75-F77 PolarHBondContact O-N 3.45Å
76N93.7Very high92.8Very high0 Ų057.5 Ų57.50%030%0.295CS..G310 helixtrans-67-25.4-179.7-78-28000114.2M45 N48 E49 F50 N51 I72 G73 G74M45-N76 PolarHBondContact O-ND2 3.02Å; M45-N76 PolarHBondContact O-OD1 3.17Å; N48-N76 VanDerWaalsContact CA-OD1 3.29Å; N48-N76 WeakPolarHBondContact CA-OD1 3.35Å; N48-N76 WeakPolarHBondContact CB-OD1 3.41Å; N48-N76 PolarHBondContact N-OD1 3.22Å; E49-N76 PolarHBondContact N-OD1 3.49Å; F50-N76 HydrophobicContact CB-CB 4.42Å; F50-N76 WeakPolarHBondContact CB-O 3.43Å; F50-N76 HydrophobicContact CD2-CB 3.67Å; F50-N76 HydrophobicContact CE2-CB 4.06Å; F50-N76 HydrophobicContact CG-CB 4.01Å; F50-N76 PolarHBondContact N-O 3.01Å; N51-N76 PolarHBondContact N-O 2.9Å; I72-N76 VanDerWaalsContact C-ND2 3.26Å; I72-N76 WeakPolarHBondContact CA-ND2 3.15Å; I72-N76 PolarHBondContact O-ND2 3.39Å; G73-N76 PolarHBondContact O-ND2 3.09Å; G74-N76 PolarHBondContact O-N 2.75Å
77F93.9Very high93Very high4 Ų455.9 Ų55.92%0.01829%0.286CS..G310 helixtrans-113.728.3-172.6-62.2-84.8000112.8A54 I72 K75 V79 I87 A90 I110 A113 L115A54-F77 HydrophobicContact CB-CD1 3.93Å; A54-F77 HydrophobicContact CB-CE1 3.8Å; I72-F77 HydrophobicContact CD1-CE2 4.31Å; I72-F77 HydrophobicContact CD1-CZ 4.02Å; I72-F77 HydrophobicContact CG1-CE2 4.39Å; I72-F77 WeakPolarHBondContact O-CE2 3.33Å; K75-F77 VanDerWaalsContact C-N 3.27Å; K75-F77 PolarHBondContact O-N 3.45Å; F77-V79 PolarHBondContact O-N 3.4Å; F77-I87 HydrophobicContact CB-CD1 4.35Å; F77-I87 HydrophobicContact CB-CG1 4.25Å; F77-I87 HydrophobicContact CD1-CG1 4.43Å; F77-A90 HydrophobicContact CE1-CB 3.78Å; F77-I110 HydrophobicContact CE2-CD1 3.74Å; F77-I110 HydrophobicContact CE2-CG1 3.85Å; F77-I110 HydrophobicContact CZ-CD1 3.85Å; F77-I110 HydrophobicContact CZ-CG1 4.46Å; F77-A113 HydrophobicContact CB-CB 4.43Å; F77-A113 HydrophobicContact CD2-CB 3.58Å; F77-A113 HydrophobicContact CE2-CB 4.27Å; F77-A113 HydrophobicContact CG-CB 4.36Å; F77-L115 HydrophobicContact CB-CD2 4.18Å; F77-L115 HydrophobicContact CD1-CD2 4.25Å; F77-L115 HydrophobicContact CD2-CD2 4.14Å; F77-L115 HydrophobicContact CG-CD2 3.93Å
78N90.8Very high93.1Very high107 Ų10756.8 Ų56.857%0.57229%0.292SS*.  trans-81.569-178.5-16720.4000111.8N51N51-N78 PolarHBondContact OD1-N 2.71Å; N51-N78 PolarHBondContact OD1-O 3.22Å
79V89.4Confident93.2Very high27 Ų2760.3 Ų60.316%0.16430%0.303CS..PPolyproline II helixtrans-73.9154.3-177.1-59.70000112.2F77 D83 T86 I87F77-V79 PolarHBondContact O-N 3.4Å; V79-D83 HydrophobicContact CB-CB 4.25Å; V79-D83 HydrophobicContact CG2-CB 4.37Å; V79-T86 HydrophobicContact CG1-CG2 3.71Å; V79-I87 HydrophobicContact CG1-CG1 4.08Å; V79-I87 HydrophobicContact CG2-CD1 3.83Å; V79-I87 HydrophobicContact CG2-CG1 4.12Å
80R87.8Confident93.2Very high222 Ų22259 Ų5984%0.83830%0.297SS*.PPolyproline II helixtrans-60.5145180-67.2-175.7-179.6-173.61.5110.8G82 D83R80-G82 PolarHBondContact O-N 2.6Å; R80-D83 WeakPolarHBondContact O-CB 2.95Å; R80-D83 PolarHBondContact O-N 2.86Å
81R84.8Confident93.1Very high257 Ų25759 Ų5997%0.9730%0.297SS*.THydrogen-bonded Turntrans-53.9125.9173-74.8-169.9178.4-150.9-0110
82G86.2Confident93.1Very high81 Ų8163.3 Ų63.384%0.83532%0.317SS*.THydrogen-bonded Turntrans97.2-13.5-177.900000114.7R80 S84R80-G82 PolarHBondContact O-N 2.6Å; G82-S84 PolarHBondContact O-N 2.84Å
83D90.7Very high93.1Very high50 Ų5064.1 Ų64.127%0.26732%0.322SS..  trans-77.2103.8168.7-176.3-5.9000110V79 R80 T85 T86V79-D83 HydrophobicContact CB-CB 4.25Å; V79-D83 HydrophobicContact CG2-CB 4.37Å; R80-D83 WeakPolarHBondContact O-CB 2.95Å; R80-D83 PolarHBondContact O-N 2.86Å; D83-T85 PolarHBondContact OD1-N 3.43Å; D83-T85 PolarHBondContact OD1-OG1 2.82Å; D83-T86 VanDerWaalsContact CG-OG1 3.28Å; D83-T86 PolarHBondContact OD1-N 2.98Å; D83-T86 VanDerWaalsContact OD1-N 3.08Å; D83-T86 PolarHBondContact OD1-OG1 3.42Å; D83-T86 VanDerWaalsContact OD2-CB 3.26Å; D83-T86 WeakPolarHBondContact OD2-CB 3.39Å; D83-T86 PolarHBondContact OD2-OG1 2.99Å
84S90.8Very high93.1Very high96 Ų9664.1 Ų64.167%0.67132%0.322SS*.  trans-102.211.3177.766.60000113.1G82 P88G82-S84 PolarHBondContact O-N 2.84Å; S84-P88 WeakPolarHBondContact O-CG 3.43Å
85T94.7Very high93.2Very high77 Ų7764.3 Ų64.347%0.47232%0.323SS..SBendtrans-115.2-36.5-169.3630000113.4D83 P88 R89D83-T85 PolarHBondContact OD1-N 3.43Å; D83-T85 PolarHBondContact OD1-OG1 2.82Å; T85-P88 WeakPolarHBondContact O-CD 3.27Å; T85-R89 WeakPolarHBondContact O-CB 3.47Å; T85-R89 VanDerWaalsContact O-CG 3.27Å; T85-R89 WeakPolarHBondContact O-CG 3.37Å; T85-R89 PolarHBondContact O-N 2.79Å
86T95.5Very high93.3Very high11 Ų1165.3 Ų65.37%0.06733%0.328CS..Hα-helixtrans-65.6-48.2-171.9-640000112.4N51 A54 P55 V79 D83 R89 A90N51-T86 WeakPolarHBondContact O-CG2 3.11Å; A54-T86 HydrophobicContact CB-CG2 4.4Å; P55-T86 HydrophobicContact CG-CG2 4.12Å; V79-T86 HydrophobicContact CG1-CG2 3.71Å; D83-T86 VanDerWaalsContact CG-OG1 3.28Å; D83-T86 PolarHBondContact OD1-N 2.98Å; D83-T86 VanDerWaalsContact OD1-N 3.08Å; D83-T86 PolarHBondContact OD1-OG1 3.42Å; D83-T86 VanDerWaalsContact OD2-CB 3.26Å; D83-T86 WeakPolarHBondContact OD2-CB 3.39Å; D83-T86 PolarHBondContact OD2-OG1 2.99Å; T86-R89 PolarHBondContact O-N 2.74Å; T86-A90 WeakPolarHBondContact O-CB 3.46Å; T86-A90 PolarHBondContact O-N 3.4Å
87I95.3Very high93.3Very high16 Ų1665.7 Ų65.78%0.08233%0.33CS..Hα-helixtrans-62.1-52.2177.6-64.6174.8000111.2F77 V79 R89 A90 L91 L115 P118F77-I87 HydrophobicContact CB-CD1 4.35Å; F77-I87 HydrophobicContact CB-CG1 4.25Å; F77-I87 HydrophobicContact CD1-CG1 4.43Å; V79-I87 HydrophobicContact CG1-CG1 4.08Å; V79-I87 HydrophobicContact CG2-CD1 3.83Å; V79-I87 HydrophobicContact CG2-CG1 4.12Å; I87-R89 VanDerWaalsContact C-N 3.32Å; I87-R89 PolarHBondContact O-N 3.28Å; I87-A90 PolarHBondContact O-N 3.05Å; I87-L91 HydrophobicContact CG2-CD1 3.79Å; I87-L91 HydrophobicContact CG2-CG 4.14Å; I87-L91 WeakPolarHBondContact O-CG 3.46Å; I87-L91 PolarHBondContact O-N 3.38Å; I87-L115 HydrophobicContact CG2-CB 4.49Å; I87-L115 HydrophobicContact CG2-CD2 3.76Å; I87-P118 HydrophobicContact CG2-CB 3.8Å; I87-P118 HydrophobicContact CG2-CG 4.3Å
88P96.3Very high93.3Very high25 Ų2565.8 Ų65.816%0.16233%0.33CS..Hα-helixtrans-52.8-46.2175.4-30.736.3000113.8S84 T85 A90 L91 E92 P118 I121S84-P88 WeakPolarHBondContact O-CG 3.43Å; T85-P88 WeakPolarHBondContact O-CD 3.27Å; P88-A90 PolarHBondContact O-N 2.72Å; P88-L91 PolarHBondContact O-N 2.9Å; P88-E92 WeakPolarHBondContact O-CB 3.21Å; P88-E92 VanDerWaalsContact O-CG 3.32Å; P88-E92 WeakPolarHBondContact O-CG 3.44Å; P88-E92 PolarHBondContact O-N 2.94Å; P88-P118 HydrophobicContact CG-CB 4.1Å; P88-P118 HydrophobicContact CG-CG 4.11Å; P88-I121 HydrophobicContact CB-CD1 3.77Å
89R97.3Very high93.4Very high130 Ų13063.7 Ų63.749%0.49132%0.319SS..Hα-helixtrans-62.1-42.6179-73.8177.967.9-165.4-6.3112.1P55 T85 T86 I87 E92 T93P55-R89 HydrophobicContact CB-CB 4.14Å; P55-R89 HydrophobicContact CG-CB 3.9Å; T85-R89 WeakPolarHBondContact O-CB 3.47Å; T85-R89 VanDerWaalsContact O-CG 3.27Å; T85-R89 WeakPolarHBondContact O-CG 3.37Å; T85-R89 PolarHBondContact O-N 2.79Å; T86-R89 PolarHBondContact O-N 2.74Å; I87-R89 VanDerWaalsContact C-N 3.32Å; I87-R89 PolarHBondContact O-N 3.28Å; R89-E92 PolarHBondContact O-N 3.27Å; R89-T93 PolarHBondContact O-N 3.29Å; R89-T93 PolarHBondContact O-OG1 2.85Å; R89-T93 VanDerWaalsContact O-OG1 3.06Å
90A96.9Very high93.4Very high0 Ų066 Ų660%033%0.33CS..Hα-helixtrans-64.6-41.1176.300000111.8A54 P55 V58 F77 T86 I87 P88 T93 L94A54-A90 HydrophobicContact CB-CB 4.11Å; P55-A90 HydrophobicContact CG-CB 4.27Å; V58-A90 HydrophobicContact CG2-CB 4.36Å; F77-A90 HydrophobicContact CE1-CB 3.78Å; T86-A90 WeakPolarHBondContact O-CB 3.46Å; T86-A90 PolarHBondContact O-N 3.4Å; I87-A90 PolarHBondContact O-N 3.05Å; P88-A90 PolarHBondContact O-N 2.72Å; A90-T93 PolarHBondContact O-N 2.91Å; A90-L94 PolarHBondContact O-N 3.3Å
91L96.6Very high93.3Very high0 Ų058 Ų580%032%0.317CS..Hα-helixtrans-68.6-33.8176.6-65.9179.2000112.9I87 P88 T93 L94 A95 I110 L115 P118 I121 L122I87-L91 HydrophobicContact CG2-CD1 3.79Å; I87-L91 HydrophobicContact CG2-CG 4.14Å; I87-L91 WeakPolarHBondContact O-CG 3.46Å; I87-L91 PolarHBondContact O-N 3.38Å; P88-L91 PolarHBondContact O-N 2.9Å; L91-T93 VanDerWaalsContact C-N 3.34Å; L91-L94 HydrophobicContact CD2-CD1 4.05Å; L91-L94 PolarHBondContact O-N 3.07Å; L91-A95 VanDerWaalsContact O-CB 3.28Å; L91-A95 WeakPolarHBondContact O-CB 3.3Å; L91-A95 PolarHBondContact O-N 2.88Å; L91-I110 HydrophobicContact CD2-CD1 3.94Å; L91-L115 HydrophobicContact CD2-CD1 4.07Å; L91-L115 HydrophobicContact CD2-CD2 4.23Å; L91-P118 HydrophobicContact CD1-CB 3.76Å; L91-P118 WeakPolarHBondContact CD1-O 3.48Å; L91-I121 HydrophobicContact CB-CB 4.27Å; L91-I121 HydrophobicContact CB-CG2 4.29Å; L91-L122 HydrophobicContact CD2-CB 4.41Å
92E96.5Very high93.5Very high95 Ų9550.9 Ų50.944%0.44430%0.302SS..Hα-helixtrans-63.8-39.8170.9-75.8174-178.200111.4P88 R89 A95 K96 I121P88-E92 WeakPolarHBondContact O-CB 3.21Å; P88-E92 VanDerWaalsContact O-CG 3.32Å; P88-E92 WeakPolarHBondContact O-CG 3.44Å; P88-E92 PolarHBondContact O-N 2.94Å; R89-E92 PolarHBondContact O-N 3.27Å; E92-A95 WeakPolarHBondContact O-CB 3.44Å; E92-A95 PolarHBondContact O-N 2.73Å; E92-K96 WeakPolarHBondContact O-CG 3.29Å; E92-K96 PolarHBondContact O-N 3.41Å; E92-I121 HydrophobicContact CG-CD1 4.37Å; E92-I121 HydrophobicContact CG-CG2 3.83Å
93T95.8Very high93.8Very high17 Ų1748.1 Ų48.110%0.10427%0.27CS..Hα-helixtrans-68.3-42.5175.3-52.50000111.2V58 N59 R89 A90 L91 A95 K96 I97V58-T93 HydrophobicContact CB-CG2 4.43Å; V58-T93 HydrophobicContact CG1-CG2 3.73Å; N59-T93 HydrophobicContact CB-CG2 3.96Å; R89-T93 PolarHBondContact O-N 3.29Å; R89-T93 PolarHBondContact O-OG1 2.85Å; R89-T93 VanDerWaalsContact O-OG1 3.06Å; A90-T93 PolarHBondContact O-N 2.91Å; L91-T93 VanDerWaalsContact C-N 3.34Å; T93-A95 VanDerWaalsContact C-N 3.31Å; T93-A95 PolarHBondContact O-N 3.11Å; T93-K96 WeakPolarHBondContact O-CB 3.24Å; T93-K96 PolarHBondContact O-N 3.25Å; T93-K96 VanDerWaalsContact O-N 3.12Å; T93-I97 WeakPolarHBondContact O-CG1 3.47Å; T93-I97 PolarHBondContact O-N 2.74Å
94L96.2Very high93.9Very high0 Ų049.9 Ų49.90%028%0.276CS..Hα-helixtrans-59.1-42.1171.2-77.5169.3000112V58 L70 I72 A90 L91 K96 I97 I98 L108 I110 L122V58-L94 HydrophobicContact CG1-CB 4.43Å; V58-L94 HydrophobicContact CG1-CD2 3.84Å; V58-L94 HydrophobicContact CG1-CG 3.62Å; V58-L94 HydrophobicContact CG2-CG 4.4Å; L70-L94 HydrophobicContact CD2-CD2 4.26Å; I72-L94 HydrophobicContact CD1-CD1 3.79Å; I72-L94 HydrophobicContact CD1-CD2 3.89Å; I72-L94 HydrophobicContact CD1-CG 4.37Å; A90-L94 PolarHBondContact O-N 3.3Å; L91-L94 HydrophobicContact CD2-CD1 4.05Å; L91-L94 PolarHBondContact O-N 3.07Å; L94-K96 PolarHBondContact O-N 2.71Å; L94-I97 HydrophobicContact CD2-CD1 4.33Å; L94-I97 WeakPolarHBondContact O-CB 3.5Å; L94-I97 PolarHBondContact O-N 3.38Å; L94-I98 PolarHBondContact O-N 2.85Å; L94-L108 HydrophobicContact CD2-CD1 4.39Å; L94-I110 HydrophobicContact CD1-CD1 3.66Å; L94-L122 HydrophobicContact CB-CD1 4.04Å
95A95.6Very high94.2Very high11 Ų1145.4 Ų45.49%0.09124%0.244CC..Hα-helixtrans-58.4-37.1175.900000112L91 E92 T93 I98 N99 I121 A125L91-A95 VanDerWaalsContact O-CB 3.28Å; L91-A95 WeakPolarHBondContact O-CB 3.3Å; L91-A95 PolarHBondContact O-N 2.88Å; E92-A95 WeakPolarHBondContact O-CB 3.44Å; E92-A95 PolarHBondContact O-N 2.73Å; T93-A95 VanDerWaalsContact C-N 3.31Å; T93-A95 PolarHBondContact O-N 3.11Å; A95-I98 WeakPolarHBondContact O-CG1 3.28Å; A95-N99 WeakPolarHBondContact O-CB 3.44Å; A95-N99 PolarHBondContact O-N 3.48Å; A95-N99 PolarHBondContact O-ND2 2.86Å; A95-N99 VanDerWaalsContact O-ND2 3.14Å; A95-I121 HydrophobicContact CB-CG2 4.47Å; A95-A125 HydrophobicContact CB-CB 3.44Å; A95-A125 VanDerWaalsContact CB-CB 3.44Å
96K94.1Very high94.2Very high145 Ų14542.9 Ų42.963%0.6323%0.231SC*.Hα-helixtrans-67.4-41.5172.8-68.5169.2-173.7170.50111.7E92 T93 L94 N99 N100E92-K96 WeakPolarHBondContact O-CG 3.29Å; E92-K96 PolarHBondContact O-N 3.41Å; T93-K96 WeakPolarHBondContact O-CB 3.24Å; T93-K96 PolarHBondContact O-N 3.25Å; T93-K96 VanDerWaalsContact O-N 3.12Å; L94-K96 PolarHBondContact O-N 2.71Å; K96-N99 PolarHBondContact O-N 2.98Å; K96-N100 WeakPolarHBondContact O-CB 3.4Å; K96-N100 PolarHBondContact O-N 2.63Å
97I94Very high94.3Very high9 Ų944 Ų445%0.04624%0.235CC..Hα-helixtrans-61.1-49178.6-64.9168.5000111.1V58 S62 T93 L94 N99 N100 S103 L105V58-I97 HydrophobicContact CG1-CD1 3.94Å; V58-I97 WeakPolarHBondContact O-CD1 3.26Å; S62-I97 VanDerWaalsContact CB-CG1 3.4Å; T93-I97 WeakPolarHBondContact O-CG1 3.47Å; T93-I97 PolarHBondContact O-N 2.74Å; L94-I97 HydrophobicContact CD2-CD1 4.33Å; L94-I97 WeakPolarHBondContact O-CB 3.5Å; L94-I97 PolarHBondContact O-N 3.38Å; I97-N99 VanDerWaalsContact C-N 3.3Å; I97-N99 PolarHBondContact O-N 2.79Å; I97-N100 PolarHBondContact O-N 2.63Å; I97-S103 WeakPolarHBondContact O-CB 3.13Å; I97-S103 PolarHBondContact O-OG 3.05Å; I97-L105 HydrophobicContact CG2-CD2 3.94Å
98I93.9Very high94.3Very high5 Ų543.3 Ų43.33%0.02623%0.232CC..Hα-helixtrans-70.9-25.8-17764.3173.2000113L94 A95 L105 L122 A125 L126 A129 P130 L132L94-I98 PolarHBondContact O-N 2.85Å; A95-I98 WeakPolarHBondContact O-CG1 3.28Å; I98-L105 HydrophobicContact CG2-CD2 4.06Å; I98-L122 HydrophobicContact CD1-CD1 3.78Å; I98-A125 HydrophobicContact CD1-CB 3.88Å; I98-A125 HydrophobicContact CG1-CB 4.43Å; I98-L126 HydrophobicContact CD1-CD2 4.02Å; I98-A129 HydrophobicContact CB-CB 4.21Å; I98-A129 HydrophobicContact CD1-CB 4.21Å; I98-A129 HydrophobicContact CG1-CB 4.33Å; I98-P130 VanDerWaalsContact O-CD 3.31Å; I98-P130 WeakPolarHBondContact O-CD 3.45Å; I98-L132 HydrophobicContact CG2-CD1 4.49Å; I98-L132 HydrophobicContact CG2-CD2 4.46Å
99N92.1Very high94.4Very high64 Ų6443 Ų4334%0.34223%0.229SC..Hα-helixtrans-92.2-6.2177.3-75.1-36.3000113.5A95 K96 I97 G101 A125 S128 A129A95-N99 WeakPolarHBondContact O-CB 3.44Å; A95-N99 PolarHBondContact O-N 3.48Å; A95-N99 PolarHBondContact O-ND2 2.86Å; A95-N99 VanDerWaalsContact O-ND2 3.14Å; K96-N99 PolarHBondContact O-N 2.98Å; I97-N99 VanDerWaalsContact C-N 3.3Å; I97-N99 PolarHBondContact O-N 2.79Å; N99-G101 PolarHBondContact O-N 3.49Å; N99-A125 WeakPolarHBondContact ND2-CB 3.38Å; N99-A125 PolarHBondContact ND2-O 3.35Å; N99-A125 PolarHBondContact OD1-O 3.18Å; N99-A125 VanDerWaalsContact OD1-O 3.04Å; N99-S128 VanDerWaalsContact OD1-C 3.24Å; N99-S128 WeakPolarHBondContact OD1-CB 3.45Å; N99-S128 PolarHBondContact OD1-O 2.81Å; N99-A129 PolarHBondContact OD1-N 2.86Å
100N90.4Very high94.3Very high74 Ų7436.8 Ų36.840%0.39621%0.205SC..  trans-74.8120.5177.4-174-8000110.1K96 I97 T102 S103K96-N100 WeakPolarHBondContact O-CB 3.4Å; K96-N100 PolarHBondContact O-N 2.63Å; I97-N100 PolarHBondContact O-N 2.63Å; N100-T102 PolarHBondContact ND2-OG1 2.84Å; N100-T102 PolarHBondContact O-N 3.47Å; N100-T102 VanDerWaalsContact O-N 3.13Å; N100-T102 PolarHBondContact OD1-N 3.32Å; N100-T102 PolarHBondContact OD1-OG1 3.48Å; N100-S103 VanDerWaalsContact O-CB 3.29Å; N100-S103 WeakPolarHBondContact O-CB 3.43Å; N100-S103 PolarHBondContact O-N 3.4Å
101G86.1Confident94.3Very high54 Ų5437 Ų3756%0.55721%0.206SC*.THydrogen-bonded Turntrans-60.3-22.6179.300000114.4N99 K131N99-G101 PolarHBondContact O-N 3.49Å; G101-K131 PolarHBondContact O-NZ 3.12Å
102T89.3Confident94.1Very high108 Ų10841.5 Ų41.566%0.66323%0.231SC*.THydrogen-bonded Turntrans-85.2-22.1176.665.10000113.3N100N100-T102 PolarHBondContact ND2-OG1 2.84Å; N100-T102 PolarHBondContact O-N 3.47Å; N100-T102 VanDerWaalsContact O-N 3.13Å; N100-T102 PolarHBondContact OD1-N 3.32Å; N100-T102 PolarHBondContact OD1-OG1 3.48Å
103S91.4Very high94Very high23 Ų2337.1 Ų37.116%0.16121%0.211CC..  trans-58.3142.4178.6179.30000110.8I97 N100 L105 K131I97-S103 WeakPolarHBondContact O-CB 3.13Å; I97-S103 PolarHBondContact O-OG 3.05Å; N100-S103 VanDerWaalsContact O-CB 3.29Å; N100-S103 WeakPolarHBondContact O-CB 3.43Å; N100-S103 PolarHBondContact O-N 3.4Å; S103-L105 WeakPolarHBondContact OG-CB 3.41Å; S103-L105 PolarHBondContact OG-N 2.91Å; S103-K131 WeakPolarHBondContact O-CD 3.46Å; S103-K131 WeakPolarHBondContact O-CE 3.43Å; S103-K131 PolarHBondContact O-NZ 3.16Å
104K93.5Very high93.8Very high88 Ų8841.3 Ų41.338%0.38323%0.232SC..  trans-101.53174-64.5-169.4-172.1173.60112.9N66 L67 E68 A106N66-K104 PolarHBondContact OD1-NZ 3.44Å; L67-K104 CarbonylContact O-C 3.51Å; E68-K104 HydrophobicContact CG-CB 4.08Å; K104-A106 PolarHBondContact O-N 3.44Å
105L95.8Very high93.6Very high2 Ų241.5 Ų41.51%0.0123%0.233CC..  trans-61.1110.1-172.7-169.365.3000110.6L67 L70 I97 I98 S103 E107 L132L67-L105 HydrophobicContact CD2-CD1 4.46Å; L67-L105 HydrophobicContact CG-CD1 4.25Å; L67-L105 WeakPolarHBondContact O-CA 3.35Å; L67-L105 PolarHBondContact O-N 3.44Å; L70-L105 HydrophobicContact CB-CD1 3.7Å; I97-L105 HydrophobicContact CG2-CD2 3.94Å; I98-L105 HydrophobicContact CG2-CD2 4.06Å; S103-L105 WeakPolarHBondContact OG-CB 3.41Å; S103-L105 PolarHBondContact OG-N 2.91Å; L105-E107 VanDerWaalsContact CD1-O 3.27Å; L105-E107 WeakPolarHBondContact CD1-O 3.19Å; L105-L132 HydrophobicContact CG-CD1 4.25Å
106A95.5Very high93.3Very high23 Ų2341.8 Ų41.819%0.1924%0.237CC..  trans-104.6-24.3-179.800000111.7E68 K104 K131 K133 R134E68-A106 PolarHBondContact O-N 3.04Å; K104-A106 PolarHBondContact O-N 3.44Å; A106-K131 WeakPolarHBondContact CA-O 3Å; A106-K133 PolarHBondContact O-N 3.12Å; A106-R134 PolarHBondContact O-N 2.86Å
107E96.8Very high93Very high34 Ų3439.8 Ų39.816%0.15923%0.232CC..EExtended strand (participates in β ladder)trans-135.1129.4-177.7-53.6-168.1-140.300111.5E68 F69 L70 L105 R134E68-E107 PolarHBondContact O-N 3.25Å; F69-E107 WeakPolarHBondContact CA-O 2.98Å; F69-E107 HydrophobicContact CB-CB 4.21Å; F69-E107 HydrophobicContact CD2-CB 3.48Å; F69-E107 VanDerWaalsContact CD2-CB 3.48Å; F69-E107 HydrophobicContact CD2-CG 4.21Å; F69-E107 HydrophobicContact CE2-CB 4.22Å; F69-E107 HydrophobicContact CG-CB 4.22Å; L70-E107 PolarHBondContact N-O 3.21Å; L105-E107 VanDerWaalsContact CD1-O 3.27Å; L105-E107 WeakPolarHBondContact CD1-O 3.19Å; E107-R134 WeakPolarHBondContact CA-O 3.37Å; E107-R134 HydrophobicContact CB-CB 4.29Å; E107-R134 HydrophobicContact CG-CB 3.94Å; E107-R134 HydrophobicContact CG-CG 4.19Å; E107-R134 IonicContact OE1-CZ 3.77Å; E107-R134 IonicContact OE1-NE 2.71Å; E107-R134 PolarHBondContact OE1-NE 2.9Å; E107-R134 IonicContact OE1-NH2 3.9Å; E107-R134 PolarHBondContact OE1-NH2 2.84Å; E107-R134 WeakPolarHBondContact OE2-CD 3.46Å; E107-R134 IonicContact OE2-CZ 2.65Å; E107-R134 IonicContact OE2-NE 2.6Å; E107-R134 PolarHBondContact OE2-NE 3.29Å; E107-R134 IonicContact OE2-NH2 3.18Å
108L97.3Very high93Very high3 Ų341.1 Ų41.12%0.01624%0.241CC..EExtended strand (participates in β ladder)trans-129.2120.4176.4177.661.7000110L70 I72 L94 L122 L132 R134 L135 N136L70-L108 HydrophobicContact CB-CD1 4.19Å; L70-L108 HydrophobicContact CD2-CD1 4.04Å; L70-L108 HydrophobicContact CG-CD1 4.2Å; L70-L108 CarbonylContact O-C 3.42Å; L70-L108 WeakPolarHBondContact O-CA 3.43Å; I72-L108 HydrophobicContact CD1-CD1 4.42Å; I72-L108 HydrophobicContact CG1-CD1 4.38Å; L94-L108 HydrophobicContact CD2-CD1 4.39Å; L108-L122 HydrophobicContact CD2-CD1 4.35Å; L108-L122 HydrophobicContact CD2-CD2 4.14Å; L108-L132 HydrophobicContact CB-CD1 3.9Å; L108-R134 PolarHBondContact N-O 2.98Å; L108-L135 HydrophobicContact CB-CD1 4.07Å; L108-L135 HydrophobicContact CD2-CD1 4.07Å; L108-L135 HydrophobicContact CG-CD1 4.14Å; L108-L135 WeakPolarHBondContact O-CA 3.38Å; L108-N136 PolarHBondContact O-N 2.69Å
109D97Very high92.9Very high18 Ų1841 Ų4110%0.09624%0.24CC..EExtended strand (participates in β ladder)trans-106.8115.7167.1-171.5-7.9000109.3R46 L70 D71 I72 G73 S111 N136R46-D109 IonicContact CZ-OD2 3.98Å; R46-D109 IonicContact NH1-OD2 3.4Å; R46-D109 PolarHBondContact NH1-OD2 3.43Å; R46-D109 IonicContact NH2-OD1 3.94Å; R46-D109 PolarHBondContact NH2-OD1 3.22Å; R46-D109 IonicContact NH2-OD2 2.74Å; R46-D109 PolarHBondContact NH2-OD2 2.81Å; L70-D109 PolarHBondContact O-N 2.88Å; D71-D109 WeakPolarHBondContact CA-O 3.43Å; D71-D109 HydrophobicContact CB-CB 4.02Å; I72-D109 PolarHBondContact N-O 3.42Å; G73-D109 PolarHBondContact N-O 2.92Å; D109-S111 WeakPolarHBondContact OD1-CB 3.48Å; D109-S111 PolarHBondContact OD1-N 3.5Å; D109-S111 PolarHBondContact OD1-OG 2.92Å; D109-N136 HydrophobicContact CB-CB 4.25Å; D109-N136 PolarHBondContact OD1-ND2 3.44Å; D109-N136 PolarHBondContact OD2-ND2 3.32Å
110I96.2Very high92.9Very high0 Ų039.9 Ų39.90%024%0.237CC..  trans-128.132.5171.9-162.5167000109.9I72 F77 L91 L94 A113 L115 L122 N136 I137 N140I72-I110 HydrophobicContact CD1-CD1 4.14Å; I72-I110 HydrophobicContact CG1-CB 4.45Å; I72-I110 HydrophobicContact CG1-CD1 4.38Å; I72-I110 HydrophobicContact CG1-CG1 4.22Å; F77-I110 HydrophobicContact CE2-CD1 3.74Å; F77-I110 HydrophobicContact CE2-CG1 3.85Å; F77-I110 HydrophobicContact CZ-CD1 3.85Å; F77-I110 HydrophobicContact CZ-CG1 4.46Å; L91-I110 HydrophobicContact CD2-CD1 3.94Å; L94-I110 HydrophobicContact CD1-CD1 3.66Å; I110-A113 HydrophobicContact CG1-CB 3.97Å; I110-A113 WeakPolarHBondContact O-CB 3.49Å; I110-L115 HydrophobicContact CD1-CD1 3.77Å; I110-L115 HydrophobicContact CD1-CD2 4.23Å; I110-L115 HydrophobicContact CG1-CD1 3.92Å; I110-L115 HydrophobicContact CG2-CD1 4.17Å; I110-L122 HydrophobicContact CG2-CD2 4.27Å; I110-N136 PolarHBondContact N-O 3.1Å; I110-I137 HydrophobicContact CG2-CG2 3.73Å; I110-N140 PolarHBondContact O-ND2 3.15Å; I110-N140 PolarHBondContact O-OD1 3.25Å
111S95.4Very high93.1Very high3 Ų338.5 Ų38.52%0.02123%0.23CC..THydrogen-bonded Turntrans-72.8154.4-17959.70000112.9R46 G73 G74 D109 A113 N136 S138R46-S111 PolarHBondContact NH2-OG 3.11Å; G73-S111 CarbonylContact C-O 3.54Å; G73-S111 WeakPolarHBondContact CA-O 3.48Å; G74-S111 PolarHBondContact N-O 3.15Å; D109-S111 WeakPolarHBondContact OD1-CB 3.48Å; D109-S111 PolarHBondContact OD1-N 3.5Å; D109-S111 PolarHBondContact OD1-OG 2.92Å; S111-A113 PolarHBondContact O-N 3.38Å; S111-N136 PolarHBondContact N-O 3.05Å; S111-N136 PolarHBondContact OG-ND2 3.46Å; S111-S138 CarbonylContact C-O 3.54Å; S111-S138 WeakPolarHBondContact CA-O 3.4Å; S111-S138 WeakPolarHBondContact CB-O 3.38Å
112N94.1Very high93.5Very high95 Ų9536 Ų3651%0.50820%0.203SC..THydrogen-bonded Turntrans55.729.7-179.3-59.4-48000113.7G74 S138 G139G74-N112 CarbonylContact C-O 3.54Å; G74-N112 WeakPolarHBondContact CA-O 3.22Å; G74-N112 VanDerWaalsContact O-O 3.14Å; N112-S138 PolarHBondContact N-O 3.43Å; N112-G139 WeakPolarHBondContact CA-O 3.26Å
113A94.1Very high93.6Very high3 Ų330.8 Ų30.83%0.02517%0.172CC..  trans-93.5-1.1-179.300000113.5G74 F77 I110 S111 L115 N140G74-A113 WeakPolarHBondContact O-CA 3.26Å; F77-A113 HydrophobicContact CB-CB 4.43Å; F77-A113 HydrophobicContact CD2-CB 3.58Å; F77-A113 HydrophobicContact CE2-CB 4.27Å; F77-A113 HydrophobicContact CG-CB 4.36Å; I110-A113 HydrophobicContact CG1-CB 3.97Å; I110-A113 WeakPolarHBondContact O-CB 3.49Å; S111-A113 PolarHBondContact O-N 3.38Å; A113-L115 HydrophobicContact CB-CD1 4.37Å; A113-L115 HydrophobicContact CB-CD2 3.9Å; A113-L115 HydrophobicContact CB-CG 3.79Å; A113-L115 PolarHBondContact O-N 3.05Å; A113-L115 VanDerWaalsContact O-N 3.16Å; A113-N140 WeakPolarHBondContact CA-OD1 3.46Å; A113-N140 WeakPolarHBondContact CB-OD1 3.47Å; A113-N140 PolarHBondContact N-OD1 3.15Å; A113-N140 VanDerWaalsContact N-OD1 3.13Å
114N90.4Very high93.6Very high105 Ų10532.7 Ų32.756%0.56119%0.185SC*.  trans5040.3-179.9-168.243.7000113.1G116 N140N114-G116 VanDerWaalsContact C-N 3.31Å; N114-G116 PolarHBondContact O-N 3.31Å; N114-N140 PolarHBondContact N-OD1 3.36Å
115L92.4Very high93.5Very high4 Ų429.1 Ų29.12%0.02117%0.172CC..  trans-66.4-32.5-173.7-61.7172.5000113F77 I87 L91 I110 A113 P118 I119 N140F77-L115 HydrophobicContact CB-CD2 4.18Å; F77-L115 HydrophobicContact CD1-CD2 4.25Å; F77-L115 HydrophobicContact CD2-CD2 4.14Å; F77-L115 HydrophobicContact CG-CD2 3.93Å; I87-L115 HydrophobicContact CG2-CB 4.49Å; I87-L115 HydrophobicContact CG2-CD2 3.76Å; L91-L115 HydrophobicContact CD2-CD1 4.07Å; L91-L115 HydrophobicContact CD2-CD2 4.23Å; I110-L115 HydrophobicContact CD1-CD1 3.77Å; I110-L115 HydrophobicContact CD1-CD2 4.23Å; I110-L115 HydrophobicContact CG1-CD1 3.92Å; I110-L115 HydrophobicContact CG2-CD1 4.17Å; A113-L115 HydrophobicContact CB-CD1 4.37Å; A113-L115 HydrophobicContact CB-CD2 3.9Å; A113-L115 HydrophobicContact CB-CG 3.79Å; A113-L115 PolarHBondContact O-N 3.05Å; A113-L115 VanDerWaalsContact O-N 3.16Å; L115-P118 VanDerWaalsContact O-CD 3.24Å; L115-P118 WeakPolarHBondContact O-CD 3.48Å; L115-I119 HydrophobicContact CB-CB 4.21Å; L115-I119 HydrophobicContact CD1-CB 4.36Å; L115-I119 HydrophobicContact CD1-CD1 3.76Å; L115-I119 HydrophobicContact CD1-CG1 3.94Å; L115-N140 HydrophobicContact CB-CB 4.36Å; L115-N140 WeakPolarHBondContact CG-OD1 3.35Å; L115-N140 PolarHBondContact N-OD1 2.91Å
116G89.5Confident93.3Very high17 Ų1729.1 Ų29.118%0.17517%0.172CC..  trans61.9-150.9-175.900000112.9N114 P118 I119 N140N114-G116 VanDerWaalsContact C-N 3.31Å; N114-G116 PolarHBondContact O-N 3.31Å; G116-P118 VanDerWaalsContact C-CD 3.43Å; G116-P118 VanDerWaalsContact C-N 3.35Å; G116-I119 WeakPolarHBondContact O-CB 3.32Å; G116-I119 WeakPolarHBondContact O-CG2 3.4Å; G116-I119 PolarHBondContact O-N 3.23Å; G116-I119 VanDerWaalsContact O-N 3.15Å; G116-N140 WeakPolarHBondContact CA-O 3.39Å; G116-N140 PolarHBondContact N-O 2.84Å
117M88.6Confident92.8Very high103 Ų10330.9 Ų30.951%0.50718%0.18SC..G310 helixtrans-50.4-39.2-179.9-78.3-62.8-59.700115.8I119 S120 S145M117-I119 PolarHBondContact O-N 3.24Å; M117-S120 WeakPolarHBondContact O-CB 3.31Å; M117-S120 PolarHBondContact O-N 3.42Å; M117-S120 PolarHBondContact O-OG 3.34Å; M117-S120 VanDerWaalsContact O-OG 3.08Å; M117-S145 PolarHBondContact SD-OG 3.37Å
118P92.9Very high92.2Very high38 Ų3833.3 Ų33.325%0.24720%0.201CC..G310 helixtrans-48.4-25.6175.5-3435.4000116.2I87 P88 L91 L115 G116 S120 I121I87-P118 HydrophobicContact CG2-CB 3.8Å; I87-P118 HydrophobicContact CG2-CG 4.3Å; P88-P118 HydrophobicContact CG-CB 4.1Å; P88-P118 HydrophobicContact CG-CG 4.11Å; L91-P118 HydrophobicContact CD1-CB 3.76Å; L91-P118 WeakPolarHBondContact CD1-O 3.48Å; L115-P118 VanDerWaalsContact O-CD 3.24Å; L115-P118 WeakPolarHBondContact O-CD 3.48Å; G116-P118 VanDerWaalsContact C-CD 3.43Å; G116-P118 VanDerWaalsContact C-N 3.35Å; P118-S120 PolarHBondContact O-N 2.95Å; P118-I121 WeakPolarHBondContact O-CB 3.47Å; P118-I121 WeakPolarHBondContact O-CG1 3.46Å; P118-I121 PolarHBondContact O-N 3.4Å
119I92.5Very high91.8Very high2 Ų233.2 Ų33.21%0.0120%0.201CC..G310 helixtrans-55.7-21.3176.5-157.5168.5000113.5L115 G116 M117 I121 L122 L123 I137 N140 I142L115-I119 HydrophobicContact CB-CB 4.21Å; L115-I119 HydrophobicContact CD1-CB 4.36Å; L115-I119 HydrophobicContact CD1-CD1 3.76Å; L115-I119 HydrophobicContact CD1-CG1 3.94Å; G116-I119 WeakPolarHBondContact O-CB 3.32Å; G116-I119 WeakPolarHBondContact O-CG2 3.4Å; G116-I119 PolarHBondContact O-N 3.23Å; G116-I119 VanDerWaalsContact O-N 3.15Å; M117-I119 PolarHBondContact O-N 3.24Å; I119-I121 PolarHBondContact O-N 3.12Å; I119-I121 VanDerWaalsContact O-N 3.12Å; I119-L122 PolarHBondContact O-N 3Å; I119-L123 HydrophobicContact CG2-CD1 4.36Å; I119-L123 WeakPolarHBondContact O-CG 3.38Å; I119-L123 PolarHBondContact O-N 3.44Å; I119-I137 HydrophobicContact CD1-CB 3.88Å; I119-I137 HydrophobicContact CD1-CD1 4.37Å; I119-I137 HydrophobicContact CD1-CG2 3.92Å; I119-N140 HydrophobicContact CD1-CB 3.83Å; I119-I142 HydrophobicContact CD1-CD1 4.04Å; I119-I142 HydrophobicContact CD1-CG1 4.03Å; I119-I142 HydrophobicContact CG2-CG1 3.98Å
120S92.2Very high91.2Very high40 Ų4035.4 Ų35.428%0.2822%0.216SC..Hα-helixtrans-54.7-28.717362.10000113.7M117 P118 S124 L149M117-S120 WeakPolarHBondContact O-CB 3.31Å; M117-S120 PolarHBondContact O-N 3.42Å; M117-S120 PolarHBondContact O-OG 3.34Å; M117-S120 VanDerWaalsContact O-OG 3.08Å; P118-S120 PolarHBondContact O-N 2.95Å; S120-S124 WeakPolarHBondContact O-CB 3.39Å; S120-S124 PolarHBondContact O-N 3.5Å; S120-S124 PolarHBondContact O-OG 3.15Å; S120-L149 VanDerWaalsContact CB-CD2 3.49Å
121I94.4Very high90.9Very high46 Ų4639.4 Ų39.424%0.23623%0.233CC..Hα-helixtrans-62.8-51.5175.8-63.4166.8000109.6P88 L91 E92 A95 P118 I119 S124 A125P88-I121 HydrophobicContact CB-CD1 3.77Å; L91-I121 HydrophobicContact CB-CB 4.27Å; L91-I121 HydrophobicContact CB-CG2 4.29Å; E92-I121 HydrophobicContact CG-CD1 4.37Å; E92-I121 HydrophobicContact CG-CG2 3.83Å; A95-I121 HydrophobicContact CB-CG2 4.47Å; P118-I121 WeakPolarHBondContact O-CB 3.47Å; P118-I121 WeakPolarHBondContact O-CG1 3.46Å; P118-I121 PolarHBondContact O-N 3.4Å; I119-I121 PolarHBondContact O-N 3.12Å; I119-I121 VanDerWaalsContact O-N 3.12Å; I121-S124 PolarHBondContact O-N 2.84Å; I121-A125 PolarHBondContact O-N 3Å; I121-A125 VanDerWaalsContact O-N 3.16Å
122L93.8Very high90.8Very high0 Ų039.3 Ų39.30%023%0.232CC..Hα-helixtrans-64-45.7177.7-174.167.3000110.7L91 L94 I98 L108 I110 I119 S124 A125 L126L91-L122 HydrophobicContact CD2-CB 4.41Å; L94-L122 HydrophobicContact CB-CD1 4.04Å; I98-L122 HydrophobicContact CD1-CD1 3.78Å; L108-L122 HydrophobicContact CD2-CD1 4.35Å; L108-L122 HydrophobicContact CD2-CD2 4.14Å; I110-L122 HydrophobicContact CG2-CD2 4.27Å; I119-L122 PolarHBondContact O-N 3Å; L122-S124 VanDerWaalsContact C-N 3.33Å; L122-S124 PolarHBondContact O-N 2.95Å; L122-A125 WeakPolarHBondContact O-CB 3.38Å; L122-A125 PolarHBondContact O-N 3.32Å; L122-A125 VanDerWaalsContact O-N 3.12Å; L122-L126 WeakPolarHBondContact O-CG 3.5Å; L122-L126 PolarHBondContact O-N 3.18Å; L122-L126 VanDerWaalsContact O-N 3.09Å
123L91.8Very high90.8Very high0 Ų039 Ų390%023%0.226CC..Hα-helixtrans-58.6-42.8178.7-67.2-178.4000112.4I119 A125 L126 I137 L149 L150 V153I119-L123 HydrophobicContact CG2-CD1 4.36Å; I119-L123 WeakPolarHBondContact O-CG 3.38Å; I119-L123 PolarHBondContact O-N 3.44Å; L123-A125 VanDerWaalsContact C-N 3.29Å; L123-A125 PolarHBondContact O-N 2.95Å; L123-L126 HydrophobicContact CD2-CD1 3.83Å; L123-L126 WeakPolarHBondContact O-CB 3.48Å; L123-L126 PolarHBondContact O-N 3.49Å; L123-I137 HydrophobicContact CD2-CD1 3.79Å; L123-L149 HydrophobicContact CB-CD2 3.81Å; L123-L149 HydrophobicContact CB-CG 4.47Å; L123-L149 HydrophobicContact CD1-CD2 4.14Å; L123-L150 HydrophobicContact CD1-CB 4.35Å; L123-L150 HydrophobicContact CD2-CD1 3.71Å; L123-V153 WeakPolarHBondContact O-CG1 3.29Å; L123-V153 WeakPolarHBondContact O-CG2 3.33Å
124S91.7Very high90.8Very high63 Ų6343 Ų4344%0.44124%0.241SC..Hα-helixtrans-66.3-34.5178.3-57.60000111.9S120 I121 L122 L126 V127S120-S124 WeakPolarHBondContact O-CB 3.39Å; S120-S124 PolarHBondContact O-N 3.5Å; S120-S124 PolarHBondContact O-OG 3.15Å; I121-S124 PolarHBondContact O-N 2.84Å; L122-S124 VanDerWaalsContact C-N 3.33Å; L122-S124 PolarHBondContact O-N 2.95Å; S124-L126 VanDerWaalsContact C-N 3.31Å; S124-V127 WeakPolarHBondContact O-CG2 3.27Å
125A92.1Very high91Very high12 Ų1238.1 Ų38.110%0.09922%0.215CC..Hα-helixtrans-70.1-27.1177.100000112.9A95 I98 N99 I121 L122 L123 V127 S128A95-A125 HydrophobicContact CB-CB 3.44Å; A95-A125 VanDerWaalsContact CB-CB 3.44Å; I98-A125 HydrophobicContact CD1-CB 3.88Å; I98-A125 HydrophobicContact CG1-CB 4.43Å; N99-A125 WeakPolarHBondContact ND2-CB 3.38Å; N99-A125 PolarHBondContact ND2-O 3.35Å; N99-A125 PolarHBondContact OD1-O 3.18Å; N99-A125 VanDerWaalsContact OD1-O 3.04Å; I121-A125 PolarHBondContact O-N 3Å; I121-A125 VanDerWaalsContact O-N 3.16Å; L122-A125 WeakPolarHBondContact O-CB 3.38Å; L122-A125 PolarHBondContact O-N 3.32Å; L122-A125 VanDerWaalsContact O-N 3.12Å; L123-A125 VanDerWaalsContact C-N 3.29Å; L123-A125 PolarHBondContact O-N 2.95Å; A125-V127 PolarHBondContact O-N 3.14Å; A125-V127 VanDerWaalsContact O-N 3.15Å; A125-S128 PolarHBondContact O-N 3.34Å
126L89.9Confident91.1Very high2 Ų239.7 Ų39.71%0.0122%0.223CC..G310 helixtrans-58.8-26.9177.4-68.4169.8000113.2I98 L122 L123 S124 S128 A129 L132 L135 V153 N157I98-L126 HydrophobicContact CD1-CD2 4.02Å; L122-L126 WeakPolarHBondContact O-CG 3.5Å; L122-L126 PolarHBondContact O-N 3.18Å; L122-L126 VanDerWaalsContact O-N 3.09Å; L123-L126 HydrophobicContact CD2-CD1 3.83Å; L123-L126 WeakPolarHBondContact O-CB 3.48Å; L123-L126 PolarHBondContact O-N 3.49Å; S124-L126 VanDerWaalsContact C-N 3.31Å; L126-S128 PolarHBondContact O-N 2.79Å; L126-A129 HydrophobicContact CD2-CB 4.47Å; L126-A129 PolarHBondContact O-N 2.91Å; L126-A129 VanDerWaalsContact O-N 3.1Å; L126-L132 HydrophobicContact CD2-CD2 3.38Å; L126-L135 HydrophobicContact CD1-CD2 3.37Å; L126-L135 HydrophobicContact CD2-CD2 3.96Å; L126-L135 HydrophobicContact CG-CD2 4.27Å; L126-V153 HydrophobicContact CB-CG1 3.67Å; L126-V153 HydrophobicContact CD1-CG1 4.32Å; L126-N157 PolarHBondContact O-ND2 3.18Å
127V86.3Confident91.3Very high60 Ų6038.9 Ų38.936%0.36422%0.215SC..G310 helixtrans-53.1-33.9-180178.80000112.1S124 A125 V153S124-V127 WeakPolarHBondContact O-CG2 3.27Å; A125-V127 PolarHBondContact O-N 3.14Å; A125-V127 VanDerWaalsContact O-N 3.15Å; V127-V153 HydrophobicContact CG2-CB 4.37Å; V127-V153 HydrophobicContact CG2-CG1 4.16Å; V127-V153 HydrophobicContact CG2-CG2 3.97Å
128S84.5Confident91.5Very high86 Ų8634.7 Ų34.760%0.60120%0.195SC*.G310 helixtrans-109.22.8-176.9-60.20000113.9N99 A125 L126 P130N99-S128 VanDerWaalsContact OD1-C 3.24Å; N99-S128 WeakPolarHBondContact OD1-CB 3.45Å; N99-S128 PolarHBondContact OD1-O 2.81Å; A125-S128 PolarHBondContact O-N 3.34Å; L126-S128 PolarHBondContact O-N 2.79Å; S128-P130 WeakPolarHBondContact O-CD 3.24Å; S128-P130 VanDerWaalsContact O-N 3.14Å
129A87.5Confident91.5Very high1 Ų133.4 Ų33.41%0.00819%0.189CC..  trans-71.4105-175.800000110.3I98 N99 L126 K131 L132 C159I98-A129 HydrophobicContact CB-CB 4.21Å; I98-A129 HydrophobicContact CD1-CB 4.21Å; I98-A129 HydrophobicContact CG1-CB 4.33Å; N99-A129 PolarHBondContact OD1-N 2.86Å; L126-A129 HydrophobicContact CD2-CB 4.47Å; L126-A129 PolarHBondContact O-N 2.91Å; L126-A129 VanDerWaalsContact O-N 3.1Å; A129-K131 PolarHBondContact O-N 2.98Å; A129-L132 HydrophobicContact CB-CB 4.16Å; A129-C159 WeakPolarHBondContact O-CB 3.41Å
130P85.1Confident91.6Very high64 Ų6433.3 Ų33.342%0.41619%0.189SC..SBendtrans-84.2-13-164.732.8-31.7000113.5I98 S128 C159I98-P130 VanDerWaalsContact O-CD 3.31Å; I98-P130 WeakPolarHBondContact O-CD 3.45Å; S128-P130 WeakPolarHBondContact O-CD 3.24Å; S128-P130 VanDerWaalsContact O-N 3.14Å; P130-C159 PolarHBondContact O-SG 2.88Å; P130-C159 VanDerWaalsContact O-SG 3.39Å
131K90.8Very high91.5Very high83 Ų8332.6 Ų32.636%0.36118%0.183SC..SBendtrans-125.8-15.4-172.4-69.1174.7-175.5176.90114G101 S103 A106 A129 K133G101-K131 PolarHBondContact O-NZ 3.12Å; S103-K131 WeakPolarHBondContact O-CD 3.46Å; S103-K131 WeakPolarHBondContact O-CE 3.43Å; S103-K131 PolarHBondContact O-NZ 3.16Å; A106-K131 WeakPolarHBondContact CA-O 3Å; A129-K131 PolarHBondContact O-N 2.98Å; K131-K133 PolarHBondContact O-N 2.68Å; K131-K133 VanDerWaalsContact O-N 3.17Å
132L93.2Very high91.3Very high2 Ų230.4 Ų30.41%0.0117%0.172CC..  trans-72.6111.5-178.8-164.177.5000109.8I98 L105 L108 L126 A129 L135 C159 L160I98-L132 HydrophobicContact CG2-CD1 4.49Å; I98-L132 HydrophobicContact CG2-CD2 4.46Å; L105-L132 HydrophobicContact CG-CD1 4.25Å; L108-L132 HydrophobicContact CB-CD1 3.9Å; L126-L132 HydrophobicContact CD2-CD2 3.38Å; A129-L132 HydrophobicContact CB-CB 4.16Å; L132-L135 HydrophobicContact CD2-CB 4.28Å; L132-L135 HydrophobicContact CD2-CD1 4.37Å; L132-C159 CarbonylContact O-C 3.38Å; L132-L160 WeakPolarHBondContact O-CA 3.31Å; L132-L160 PolarHBondContact O-N 2.96Å
133K92.7Very high91.1Very high88 Ų8835 Ų3538%0.38319%0.194SC..  trans-99.9-33.7-178.6-69.9173.8172.5-114.20112.4A106 K131 E161 K162A106-K133 PolarHBondContact O-N 3.12Å; K131-K133 PolarHBondContact O-N 2.68Å; K131-K133 VanDerWaalsContact O-N 3.17Å; K133-E161 HydrophobicContact CB-CB 4.44Å; K133-E161 HydrophobicContact CB-CG 4.3Å; K133-E161 WeakPolarHBondContact CE-OE1 3.49Å; K133-E161 HydrophobicContact CG-CG 4.34Å; K133-E161 IonicContact NZ-OE1 3.42Å; K133-E161 PolarHBondContact NZ-OE1 3.22Å; K133-E161 WeakPolarHBondContact O-CA 3.42Å; K133-E161 PolarHBondContact O-N 3.24Å; K133-K162 PolarHBondContact O-N 3.35Å
134R94.4Very high91Very high87 Ų8736.7 Ų36.733%0.32820%0.203SC..EExtended strand (participates in β ladder)trans-127.4131.3-179-54.3-168.5-103.7-76-0.3110.7A106 E107 L108 K162A106-R134 PolarHBondContact O-N 2.86Å; E107-R134 WeakPolarHBondContact CA-O 3.37Å; E107-R134 HydrophobicContact CB-CB 4.29Å; E107-R134 HydrophobicContact CG-CB 3.94Å; E107-R134 HydrophobicContact CG-CG 4.19Å; E107-R134 IonicContact OE1-CZ 3.77Å; E107-R134 IonicContact OE1-NE 2.71Å; E107-R134 PolarHBondContact OE1-NE 2.9Å; E107-R134 IonicContact OE1-NH2 3.9Å; E107-R134 PolarHBondContact OE1-NH2 2.84Å; E107-R134 WeakPolarHBondContact OE2-CD 3.46Å; E107-R134 IonicContact OE2-CZ 2.65Å; E107-R134 IonicContact OE2-NE 2.6Å; E107-R134 PolarHBondContact OE2-NE 3.29Å; E107-R134 IonicContact OE2-NH2 3.18Å; L108-R134 PolarHBondContact N-O 2.98Å; R134-K162 WeakPolarHBondContact CA-O 3.43Å; R134-K162 HydrophobicContact CB-CB 4.35Å; R134-K162 HydrophobicContact CG-CB 3.93Å; R134-K162 HydrophobicContact CG-CD 4.38Å; R134-K162 HydrophobicContact CG-CG 4.04Å
135L94.6Very high90.8Very high3 Ų335.6 Ų35.62%0.01620%0.195CC..EExtended strand (participates in β ladder)trans-133123.6177177.764.8000109.9L108 L126 L132 I137 L160 K162 L163 S164L108-L135 HydrophobicContact CB-CD1 4.07Å; L108-L135 HydrophobicContact CD2-CD1 4.07Å; L108-L135 HydrophobicContact CG-CD1 4.14Å; L108-L135 WeakPolarHBondContact O-CA 3.38Å; L126-L135 HydrophobicContact CD1-CD2 3.37Å; L126-L135 HydrophobicContact CD2-CD2 3.96Å; L126-L135 HydrophobicContact CG-CD2 4.27Å; L132-L135 HydrophobicContact CD2-CB 4.28Å; L132-L135 HydrophobicContact CD2-CD1 4.37Å; L135-I137 HydrophobicContact CD1-CG2 3.73Å; L135-I137 HydrophobicContact CD2-CD1 4.46Å; L135-I137 HydrophobicContact CD2-CG2 3.98Å; L135-I137 HydrophobicContact CG-CG2 3.76Å; L135-L160 HydrophobicContact CB-CD1 3.82Å; L135-K162 PolarHBondContact N-O 3.05Å; L135-L163 HydrophobicContact CB-CD1 4.09Å; L135-L163 HydrophobicContact CD2-CD1 4.01Å; L135-L163 HydrophobicContact CG-CD1 4.12Å; L135-L163 WeakPolarHBondContact O-CA 3.37Å; L135-S164 PolarHBondContact O-N 3.28Å
136N94.8Very high90.6Very high37 Ų3735.3 Ų35.320%0.19819%0.193CC..EExtended strand (participates in β ladder)trans-110.4112.3169.5-174.53.8000109.8L108 D109 I110 S111 S138 S164L108-N136 PolarHBondContact O-N 2.69Å; D109-N136 HydrophobicContact CB-CB 4.25Å; D109-N136 PolarHBondContact OD1-ND2 3.44Å; D109-N136 PolarHBondContact OD2-ND2 3.32Å; I110-N136 PolarHBondContact N-O 3.1Å; S111-N136 PolarHBondContact N-O 3.05Å; S111-N136 PolarHBondContact OG-ND2 3.46Å; N136-S138 VanDerWaalsContact OD1-CB 3.26Å; N136-S138 WeakPolarHBondContact OD1-CB 3.22Å; N136-S138 PolarHBondContact OD1-N 3.25Å; N136-S138 PolarHBondContact OD1-OG 3.43Å; N136-S164 WeakPolarHBondContact OD1-CB 3.36Å
137I94.4Very high90.4Very high0 Ų035.2 Ų35.20%019%0.193CC..  trans-120.523.5176.257.9179.3000111.3I110 I119 L123 L135 N140 I142 L163 S164 L165 N168I110-I137 HydrophobicContact CG2-CG2 3.73Å; I119-I137 HydrophobicContact CD1-CB 3.88Å; I119-I137 HydrophobicContact CD1-CD1 4.37Å; I119-I137 HydrophobicContact CD1-CG2 3.92Å; L123-I137 HydrophobicContact CD2-CD1 3.79Å; L135-I137 HydrophobicContact CD1-CG2 3.73Å; L135-I137 HydrophobicContact CD2-CD1 4.46Å; L135-I137 HydrophobicContact CD2-CG2 3.98Å; L135-I137 HydrophobicContact CG-CG2 3.76Å; I137-N140 VanDerWaalsContact C-ND2 3.32Å; I137-N140 WeakPolarHBondContact CA-ND2 3.12Å; I137-N140 PolarHBondContact O-ND2 3.19Å; I137-I142 HydrophobicContact CB-CD1 4.31Å; I137-I142 HydrophobicContact CD1-CD1 3.49Å; I137-I142 VanDerWaalsContact CD1-CD1 3.49Å; I137-I142 HydrophobicContact CG1-CD1 3.83Å; I137-L163 HydrophobicContact CD1-CD1 4.27Å; I137-L163 HydrophobicContact CG1-CD1 4.27Å; I137-S164 PolarHBondContact N-O 2.99Å; I137-S164 VanDerWaalsContact N-O 3.09Å; I137-L165 HydrophobicContact CD1-CD2 3.54Å; I137-L165 HydrophobicContact CG1-CD2 3.55Å; I137-N168 PolarHBondContact O-ND2 3.13Å; I137-N168 PolarHBondContact O-OD1 3.07Å
138S92.5Very high90.6Very high14 Ų1438.7 Ų38.710%0.09820%0.199CC..THydrogen-bonded Turntrans-59.5147.6178.4-530000111.3S111 N112 N136 N140 D166S111-S138 CarbonylContact C-O 3.54Å; S111-S138 WeakPolarHBondContact CA-O 3.4Å; S111-S138 WeakPolarHBondContact CB-O 3.38Å; N112-S138 PolarHBondContact N-O 3.43Å; N136-S138 VanDerWaalsContact OD1-CB 3.26Å; N136-S138 WeakPolarHBondContact OD1-CB 3.22Å; N136-S138 PolarHBondContact OD1-N 3.25Å; N136-S138 PolarHBondContact OD1-OG 3.43Å; S138-N140 PolarHBondContact O-N 2.77Å; S138-D166 CarbonylContact C-O 3.14Å; S138-D166 VanDerWaalsContact C-O 3.29Å; S138-D166 WeakPolarHBondContact CA-O 3.1Å; S138-D166 WeakPolarHBondContact CB-O 2.99Å; S138-D166 PolarHBondContact OG-N 2.85Å
139G92.6Very high90.8Very high11 Ų1137 Ų3711%0.11318%0.183CC..THydrogen-bonded Turntrans71.926.5173.600000115.5N112 D166 H167N112-G139 WeakPolarHBondContact CA-O 3.26Å; G139-D166 PolarHBondContact N-O 3Å; G139-H167 VanDerWaalsContact CA-O 3.22Å; G139-H167 WeakPolarHBondContact CA-O 3.35Å; G139-H167 PolarHBondContact N-O 3.06Å
140N93.9Very high90.9Very high0 Ų037 Ų370%018%0.183CC..SBendtrans-110.88.4-176.6-77.9-48000115.3I110 A113 N114 L115 G116 I119 I137 S138 I142 N168I110-N140 PolarHBondContact O-ND2 3.15Å; I110-N140 PolarHBondContact O-OD1 3.25Å; A113-N140 WeakPolarHBondContact CA-OD1 3.46Å; A113-N140 WeakPolarHBondContact CB-OD1 3.47Å; A113-N140 PolarHBondContact N-OD1 3.15Å; A113-N140 VanDerWaalsContact N-OD1 3.13Å; N114-N140 PolarHBondContact N-OD1 3.36Å; L115-N140 HydrophobicContact CB-CB 4.36Å; L115-N140 WeakPolarHBondContact CG-OD1 3.35Å; L115-N140 PolarHBondContact N-OD1 2.91Å; G116-N140 WeakPolarHBondContact CA-O 3.39Å; G116-N140 PolarHBondContact N-O 2.84Å; I119-N140 HydrophobicContact CD1-CB 3.83Å; I137-N140 VanDerWaalsContact C-ND2 3.32Å; I137-N140 WeakPolarHBondContact CA-ND2 3.12Å; I137-N140 PolarHBondContact O-ND2 3.19Å; S138-N140 PolarHBondContact O-N 2.77Å; N140-I142 VanDerWaalsContact C-N 3.3Å; N140-I142 HydrophobicContact CB-CG1 4.2Å; N140-I142 PolarHBondContact O-N 3.45Å; N140-N168 WeakPolarHBondContact CA-OD1 3.44Å; N140-N168 PolarHBondContact N-OD1 3.12Å
141C90.9Very high90.9Very high25 Ų2534 Ų3417%0.16916%0.164CC..  trans54.646.1176.7-500000112E143 N168 Q169C141-E143 VanDerWaalsContact C-N 3.29Å; C141-E143 PolarHBondContact O-N 3.42Å; C141-N168 CarbonylContact C-O 3.39Å; C141-N168 PolarHBondContact N-OD1 3.19Å; C141-Q169 PolarHBondContact SG-NE2 3.38Å
142I90Very high90.6Very high1 Ų137.3 Ų37.31%0.00518%0.178CC..  trans-66.2-32.3-177.6-64.3174.7000112I119 I137 N140 G146 N168I119-I142 HydrophobicContact CD1-CD1 4.04Å; I119-I142 HydrophobicContact CD1-CG1 4.03Å; I119-I142 HydrophobicContact CG2-CG1 3.98Å; I137-I142 HydrophobicContact CB-CD1 4.31Å; I137-I142 HydrophobicContact CD1-CD1 3.49Å; I137-I142 VanDerWaalsContact CD1-CD1 3.49Å; I137-I142 HydrophobicContact CG1-CD1 3.83Å; N140-I142 VanDerWaalsContact C-N 3.3Å; N140-I142 HydrophobicContact CB-CG1 4.2Å; N140-I142 PolarHBondContact O-N 3.45Å; I142-G146 VanDerWaalsContact CG2-C 3.44Å; I142-G146 PolarHBondContact O-N 3Å; I142-N168 HydrophobicContact CB-CB 4.04Å; I142-N168 HydrophobicContact CD1-CB 4.15Å; I142-N168 VanDerWaalsContact CD1-CG 3.4Å; I142-N168 WeakPolarHBondContact CD1-ND2 3.35Å; I142-N168 WeakPolarHBondContact CD1-OD1 3.22Å; I142-N168 HydrophobicContact CG1-CB 4.18Å; I142-N168 VanDerWaalsContact CG1-OD1 3.26Å; I142-N168 WeakPolarHBondContact CG1-OD1 3.47Å; I142-N168 PolarHBondContact N-O 3.23Å
143E89.9Confident90.3Very high97 Ų9737.5 Ų37.545%0.45318%0.179SC..Hα-helixtrans58.2-177.2-176.7-56.4175.7-170.300113.6C141 S145 G146 A147 N168C141-E143 VanDerWaalsContact C-N 3.29Å; C141-E143 PolarHBondContact O-N 3.42Å; E143-S145 VanDerWaalsContact C-N 3.25Å; E143-S145 PolarHBondContact O-N 3.23Å; E143-G146 PolarHBondContact O-N 3.41Å; E143-A147 PolarHBondContact O-N 2.79Å; E143-N168 PolarHBondContact N-O 2.88Å
144D88.2Confident89.8Confident35 Ų3533.4 Ų33.419%0.18716%0.162CC..Hα-helixtrans-65.9-26.4-178.7-77-8.4000113.9R148 T171 G174D144-R148 PolarHBondContact O-N 2.76Å; D144-R148 VanDerWaalsContact O-N 3.13Å; D144-T171 WeakPolarHBondContact OD1-CA 3.37Å; D144-T171 WeakPolarHBondContact OD1-CB 3.48Å; D144-T171 PolarHBondContact OD1-N 3.48Å; D144-T171 PolarHBondContact OD1-OG1 3.28Å; D144-T171 WeakPolarHBondContact OD2-CG2 3.47Å; D144-T171 PolarHBondContact OD2-OG1 3Å; D144-G174 WeakPolarHBondContact OD1-CA 3.36Å; D144-G174 PolarHBondContact OD1-N 3.01Å
145S88.7Confident89.1Confident39 Ų3930.1 Ų30.127%0.27315%0.15SC..Hα-helixtrans-64.4-49.6176.647.80000110.8M117 E143 R148 L149M117-S145 PolarHBondContact SD-OG 3.37Å; E143-S145 VanDerWaalsContact C-N 3.25Å; E143-S145 PolarHBondContact O-N 3.23Å; S145-R148 PolarHBondContact O-N 3.13Å; S145-L149 PolarHBondContact O-N 2.95Å
146G87.7Confident88.4Confident6 Ų631.9 Ų31.96%0.06216%0.161CC..Hα-helixtrans-73.1-29.117700000112.5I142 E143 R148 L149 L150I142-G146 VanDerWaalsContact CG2-C 3.44Å; I142-G146 PolarHBondContact O-N 3Å; E143-G146 PolarHBondContact O-N 3.41Å; G146-R148 VanDerWaalsContact C-N 3.34Å; G146-R148 PolarHBondContact O-N 3.19Å; G146-L149 PolarHBondContact O-N 3.37Å; G146-L150 VanDerWaalsContact O-CB 3.24Å; G146-L150 WeakPolarHBondContact O-CB 3.31Å; G146-L150 PolarHBondContact O-N 2.97Å
147A86.7Confident87.7Confident0 Ų030.2 Ų30.20%015%0.153CC..Hα-helixtrans-59-42.1170.500000112.5E143 L150 A151 I170 I178E143-A147 PolarHBondContact O-N 2.79Å; A147-L150 PolarHBondContact O-N 3.23Å; A147-A151 WeakPolarHBondContact O-CB 3.43Å; A147-A151 PolarHBondContact O-N 3Å; A147-I170 HydrophobicContact CB-CD1 4.08Å; A147-I170 HydrophobicContact CB-CG1 4.17Å; A147-I170 HydrophobicContact CB-CG2 3.72Å; A147-I178 HydrophobicContact CB-CD1 3.85Å; A147-I178 HydrophobicContact CB-CG1 4.25Å; A147-I178 WeakPolarHBondContact O-CG1 3.25Å
148R88.9Confident86.8Confident134 Ų13433 Ų3351%0.50617%0.171SC..Hα-helixtrans-62.6-42.7173.9-79-176.9-78.3-87.81.2112.5D144 S145 G146 A151 K152 V177D144-R148 PolarHBondContact O-N 2.76Å; D144-R148 VanDerWaalsContact O-N 3.13Å; S145-R148 PolarHBondContact O-N 3.13Å; G146-R148 VanDerWaalsContact C-N 3.34Å; G146-R148 PolarHBondContact O-N 3.19Å; R148-A151 PolarHBondContact O-N 3.21Å; R148-K152 PolarHBondContact O-N 3.46Å; R148-V177 HydrophobicContact CG-CG1 4.09Å; R148-V177 HydrophobicContact CG-CG2 4.38Å
149L89.7Confident86.4Confident51 Ų5133.7 Ų33.727%0.26718%0.176SC..Hα-helixtrans-65.1-47.1178.2-171.974.6000110.6S120 L123 S145 G146 A151 K152 V153S120-L149 VanDerWaalsContact CB-CD2 3.49Å; L123-L149 HydrophobicContact CB-CD2 3.81Å; L123-L149 HydrophobicContact CB-CG 4.47Å; L123-L149 HydrophobicContact CD1-CD2 4.14Å; S145-L149 PolarHBondContact O-N 2.95Å; G146-L149 PolarHBondContact O-N 3.37Å; L149-A151 VanDerWaalsContact C-N 3.29Å; L149-A151 PolarHBondContact O-N 3.06Å; L149-K152 WeakPolarHBondContact O-CB 3.44Å; L149-K152 PolarHBondContact O-N 3.13Å; L149-K152 VanDerWaalsContact O-N 3.12Å; L149-V153 VanDerWaalsContact O-CG2 3.3Å; L149-V153 WeakPolarHBondContact O-CG2 3.32Å; L149-V153 PolarHBondContact O-N 2.77Å
150L88.6Confident86.2Confident0 Ų033.3 Ų33.30%017%0.171CC..Hα-helixtrans-57.6-43176.8-178.869.9000111.3L123 G146 A147 K152 V153 L154 L163 L165 I178L123-L150 HydrophobicContact CD1-CB 4.35Å; L123-L150 HydrophobicContact CD2-CD1 3.71Å; G146-L150 VanDerWaalsContact O-CB 3.24Å; G146-L150 WeakPolarHBondContact O-CB 3.31Å; G146-L150 PolarHBondContact O-N 2.97Å; A147-L150 PolarHBondContact O-N 3.23Å; L150-K152 VanDerWaalsContact C-N 3.3Å; L150-K152 PolarHBondContact O-N 3.31Å; L150-V153 PolarHBondContact O-N 2.99Å; L150-V153 VanDerWaalsContact O-N 3.14Å; L150-L154 HydrophobicContact CD1-CD1 4.25Å; L150-L154 HydrophobicContact CD1-CD2 4.49Å; L150-L154 HydrophobicContact CD1-CG 4.15Å; L150-L154 HydrophobicContact CD2-CD1 4.38Å; L150-L154 HydrophobicContact CG-CD1 3.85Å; L150-L154 HydrophobicContact CG-CG 4.17Å; L150-L154 WeakPolarHBondContact O-CB 3.4Å; L150-L154 VanDerWaalsContact O-CG 3.27Å; L150-L154 WeakPolarHBondContact O-CG 2.99Å; L150-L154 PolarHBondContact O-N 3.05Å; L150-L163 HydrophobicContact CD1-CD2 3.87Å; L150-L163 HydrophobicContact CD2-CD2 4.04Å; L150-L163 HydrophobicContact CG-CD2 4.29Å; L150-L165 HydrophobicContact CD2-CD1 3.43Å; L150-L165 VanDerWaalsContact CD2-CD1 3.43Å; L150-L165 HydrophobicContact CD2-CD2 3.42Å; L150-L165 VanDerWaalsContact CD2-CD2 3.42Å; L150-L165 HydrophobicContact CD2-CG 4.05Å; L150-I178 HydrophobicContact CD2-CD1 4.06Å
151A85.2Confident85.9Confident2 Ų235.8 Ų35.82%0.01718%0.183CC..Hα-helixtrans-56.3-44.1176.100000112.1A147 R148 L149 M155 V177 I178 S181A147-A151 WeakPolarHBondContact O-CB 3.43Å; A147-A151 PolarHBondContact O-N 3Å; R148-A151 PolarHBondContact O-N 3.21Å; L149-A151 VanDerWaalsContact C-N 3.29Å; L149-A151 PolarHBondContact O-N 3.06Å; A151-M155 WeakPolarHBondContact O-CG 3.08Å; A151-M155 PolarHBondContact O-N 3.24Å; A151-V177 HydrophobicContact CB-CG1 3.93Å; A151-I178 HydrophobicContact CB-CG1 4.22Å; A151-S181 WeakPolarHBondContact CB-OG 3.35Å
152K85.4Confident85.8Confident151 Ų15138.2 Ų38.266%0.65719%0.19SC*.Hα-helixtrans-66.9-38.9176.1-172.8177-178.8-179.30112.9R148 L149 L150 M155 T156R148-K152 PolarHBondContact O-N 3.46Å; L149-K152 WeakPolarHBondContact O-CB 3.44Å; L149-K152 PolarHBondContact O-N 3.13Å; L149-K152 VanDerWaalsContact O-N 3.12Å; L150-K152 VanDerWaalsContact C-N 3.3Å; L150-K152 PolarHBondContact O-N 3.31Å; K152-M155 PolarHBondContact O-N 2.88Å; K152-T156 PolarHBondContact O-OG1 3.49Å; K152-T156 VanDerWaalsContact O-OG1 3.12Å
153V85.7Confident85.8Confident6 Ų638.2 Ų38.24%0.03619%0.19CC..Hα-helixtrans-66.5-44.7177.61710000110.5L123 L126 V127 L149 L150 M155 T156 N157L123-V153 WeakPolarHBondContact O-CG1 3.29Å; L123-V153 WeakPolarHBondContact O-CG2 3.33Å; L126-V153 HydrophobicContact CB-CG1 3.67Å; L126-V153 HydrophobicContact CD1-CG1 4.32Å; V127-V153 HydrophobicContact CG2-CB 4.37Å; V127-V153 HydrophobicContact CG2-CG1 4.16Å; V127-V153 HydrophobicContact CG2-CG2 3.97Å; L149-V153 VanDerWaalsContact O-CG2 3.3Å; L149-V153 WeakPolarHBondContact O-CG2 3.32Å; L149-V153 PolarHBondContact O-N 2.77Å; L150-V153 PolarHBondContact O-N 2.99Å; L150-V153 VanDerWaalsContact O-N 3.14Å; V153-M155 PolarHBondContact O-N 2.82Å; V153-T156 PolarHBondContact O-N 2.78Å; V153-T156 PolarHBondContact O-OG1 2.91Å; V153-N157 WeakPolarHBondContact O-CB 3.1Å; V153-N157 PolarHBondContact O-N 3.31Å
154L82.9Confident85.8Confident2 Ų234.3 Ų34.31%0.0117%0.174CC..Hα-helixtrans-65.6-22.5178.5-67.3171.9000112.7L150 T156 L160 L163 I178 L182 N202 L205L150-L154 HydrophobicContact CD1-CD1 4.25Å; L150-L154 HydrophobicContact CD1-CD2 4.49Å; L150-L154 HydrophobicContact CD1-CG 4.15Å; L150-L154 HydrophobicContact CD2-CD1 4.38Å; L150-L154 HydrophobicContact CG-CD1 3.85Å; L150-L154 HydrophobicContact CG-CG 4.17Å; L150-L154 WeakPolarHBondContact O-CB 3.4Å; L150-L154 VanDerWaalsContact O-CG 3.27Å; L150-L154 WeakPolarHBondContact O-CG 2.99Å; L150-L154 PolarHBondContact O-N 3.05Å; L154-T156 VanDerWaalsContact C-N 3.31Å; L154-L160 HydrophobicContact CD2-CD2 3.92Å; L154-L163 HydrophobicContact CD1-CD2 3.82Å; L154-L163 HydrophobicContact CD2-CD2 3.72Å; L154-L163 HydrophobicContact CG-CD2 4.27Å; L154-I178 HydrophobicContact CD1-CG2 4.31Å; L154-L182 HydrophobicContact CB-CD2 4.35Å; L154-N202 WeakPolarHBondContact O-CB 3.47Å; L154-N202 VanDerWaalsContact O-CG 3.28Å; L154-N202 PolarHBondContact O-ND2 3.1Å; L154-L205 HydrophobicContact CB-CD2 4.46Å; L154-L205 HydrophobicContact CD1-CD2 4.34Å; L154-L205 HydrophobicContact CD2-CD1 4.33Å; L154-L205 HydrophobicContact CD2-CD2 3.75Å; L154-L205 HydrophobicContact CG-CD2 4.39Å
155M79Confident85.8Confident18 Ų1832.8 Ų32.89%0.08917%0.165CC..Hα-helixtrans-74.3-21.8172.8-75.6-179106.200113.6A151 K152 V153 E184 F200 R201 N202A151-M155 WeakPolarHBondContact O-CG 3.08Å; A151-M155 PolarHBondContact O-N 3.24Å; K152-M155 PolarHBondContact O-N 2.88Å; V153-M155 PolarHBondContact O-N 2.82Å; M155-E184 HydrophobicContact CE-CB 4.48Å; M155-F200 HydrophobicContact CB-CD1 3.94Å; M155-F200 HydrophobicContact CB-CE1 4.22Å; M155-F200 HydrophobicContact CE-CD1 3.56Å; M155-F200 HydrophobicContact CE-CE1 3.12Å; M155-F200 HydrophobicContact CE-CZ 3.83Å; M155-F200 HydrophobicContact CG-CD1 4.36Å; M155-F200 HydrophobicContact CG-CE1 4.42Å; M155-F200 HydrophobicContact SD-CD1 4.25Å; M155-F200 HydrophobicContact SD-CE1 3.74Å; M155-R201 PolarHBondContact O-N 3.38Å; M155-R201 VanDerWaalsContact O-N 3.12Å; M155-N202 PolarHBondContact O-N 3.16Å
156T80.7Confident85.7Confident40 Ų4032.1 Ų32.125%0.24516%0.159CC..Hα-helixtrans-112.8-39.4-169.4480000113.8K152 V153 L154K152-T156 PolarHBondContact O-OG1 3.49Å; K152-T156 VanDerWaalsContact O-OG1 3.12Å; V153-T156 PolarHBondContact O-N 2.78Å; V153-T156 PolarHBondContact O-OG1 2.91Å; L154-T156 VanDerWaalsContact C-N 3.31Å
157N80Confident85.8Confident3 Ų336.1 Ų36.12%0.01618%0.176CC..  trans-59.7137.8176.1172.7-80.2000110L126 V153 C159 L160 N202L126-N157 PolarHBondContact O-ND2 3.18Å; V153-N157 WeakPolarHBondContact O-CB 3.1Å; V153-N157 PolarHBondContact O-N 3.31Å; N157-C159 PolarHBondContact OD1-N 2.79Å; N157-L160 WeakPolarHBondContact OD1-CB 3.23Å; N157-L160 PolarHBondContact OD1-N 3.4Å; N157-N202 WeakPolarHBondContact O-CA 3.42Å; N157-N202 WeakPolarHBondContact O-CB 3.33Å; N157-N202 PolarHBondContact O-ND2 3.33Å; N157-N202 PolarHBondContact O-OD1 2.93Å
158C75.3Confident85.9Confident57 Ų5736.1 Ų36.139%0.38518%0.176SC..SBendtrans-124.623.7-178.157.50000113.3R201 T204C158-R201 HydrophobicContact CB-CB 4.47Å; C158-R201 VanDerWaalsContact CB-O 3.27Å; C158-R201 WeakPolarHBondContact CB-O 3.42Å; C158-T204 WeakPolarHBondContact O-CG2 3.46Å; C158-T204 PolarHBondContact O-OG1 3.05Å
159C85.3Confident85.8Confident30 Ų3034 Ų3420%0.20317%0.172CC..SBendtrans-131.4-23.7-176.5-57.80000113.6A129 P130 L132 N157 E161 T204A129-C159 WeakPolarHBondContact O-CB 3.41Å; P130-C159 PolarHBondContact O-SG 2.88Å; P130-C159 VanDerWaalsContact O-SG 3.39Å; L132-C159 CarbonylContact O-C 3.38Å; N157-C159 PolarHBondContact OD1-N 2.79Å; C159-E161 PolarHBondContact O-N 3.3Å; C159-T204 WeakPolarHBondContact CA-OG1 3.38Å; C159-T204 PolarHBondContact N-OG1 3.14Å; C159-T204 VanDerWaalsContact N-OG1 3.11Å
160L87.7Confident85.7Confident2 Ų231.6 Ų31.61%0.0116%0.159CC..  trans-71125.7179-164.271.7000109L132 L135 L154 N157 L163 T204 L205L132-L160 WeakPolarHBondContact O-CA 3.31Å; L132-L160 PolarHBondContact O-N 2.96Å; L135-L160 HydrophobicContact CB-CD1 3.82Å; L154-L160 HydrophobicContact CD2-CD2 3.92Å; N157-L160 WeakPolarHBondContact OD1-CB 3.23Å; N157-L160 PolarHBondContact OD1-N 3.4Å; L160-L163 HydrophobicContact CD2-CB 4.1Å; L160-L163 HydrophobicContact CD2-CD1 4.34Å; L160-L163 HydrophobicContact CD2-CD2 4.45Å; L160-T204 PolarHBondContact N-OG1 3.49Å; L160-T204 CarbonylContact O-C 3.29Å; L160-T204 VanDerWaalsContact O-C 3.25Å; L160-T204 PolarHBondContact O-OG1 3.28Å; L160-L205 HydrophobicContact CD2-CD1 4.26Å; L160-L205 HydrophobicContact CG-CD1 4.26Å; L160-L205 WeakPolarHBondContact O-CA 3.41Å; L160-L205 PolarHBondContact O-N 2.82Å; L160-L205 VanDerWaalsContact O-N 3.09Å
161E88.3Confident85.5Confident52 Ų5233.6 Ų33.624%0.24317%0.171CC..  trans-104.2-40.1-179.5-66.2172.4-169.700111.1K133 C159 T204 T206 E207K133-E161 HydrophobicContact CB-CB 4.44Å; K133-E161 HydrophobicContact CB-CG 4.3Å; K133-E161 WeakPolarHBondContact CE-OE1 3.49Å; K133-E161 HydrophobicContact CG-CG 4.34Å; K133-E161 IonicContact NZ-OE1 3.42Å; K133-E161 PolarHBondContact NZ-OE1 3.22Å; K133-E161 WeakPolarHBondContact O-CA 3.42Å; K133-E161 PolarHBondContact O-N 3.24Å; C159-E161 PolarHBondContact O-N 3.3Å; E161-T204 WeakPolarHBondContact CA-O 3.4Å; E161-T206 PolarHBondContact O-N 3.33Å; E161-T206 PolarHBondContact O-OG1 3.05Å; E161-E207 PolarHBondContact O-N 3.41Å
162K88Confident85.4Confident77 Ų7737.5 Ų37.534%0.33519%0.191SC..EExtended strand (participates in β ladder)trans-128.8138-179.6-48.9-158.8-179.3-159.90113.3K133 R134 L135 E207K133-K162 PolarHBondContact O-N 3.35Å; R134-K162 WeakPolarHBondContact CA-O 3.43Å; R134-K162 HydrophobicContact CB-CB 4.35Å; R134-K162 HydrophobicContact CG-CB 3.93Å; R134-K162 HydrophobicContact CG-CD 4.38Å; R134-K162 HydrophobicContact CG-CG 4.04Å; L135-K162 PolarHBondContact N-O 3.05Å; K162-E207 VanDerWaalsContact CA-O 3.26Å; K162-E207 WeakPolarHBondContact CA-O 3.39Å; K162-E207 HydrophobicContact CB-CB 4.45Å; K162-E207 HydrophobicContact CD-CB 4.28Å; K162-E207 VanDerWaalsContact CD-OE2 3.25Å; K162-E207 WeakPolarHBondContact CD-OE2 3.18Å; K162-E207 WeakPolarHBondContact CE-OE2 3.32Å; K162-E207 HydrophobicContact CG-CB 4.04Å; K162-E207 IonicContact NZ-OE2 2.86Å; K162-E207 PolarHBondContact NZ-OE2 3.05Å
163L89.8Confident85.3Confident1 Ų135.1 Ų35.11%0.00519%0.186CC..EExtended strand (participates in β ladder)trans-138.7125.7177.2178.864.3000112.1L135 I137 L150 L154 L160 L165 L205 E207 V208 E209L135-L163 HydrophobicContact CB-CD1 4.09Å; L135-L163 HydrophobicContact CD2-CD1 4.01Å; L135-L163 HydrophobicContact CG-CD1 4.12Å; L135-L163 WeakPolarHBondContact O-CA 3.37Å; I137-L163 HydrophobicContact CD1-CD1 4.27Å; I137-L163 HydrophobicContact CG1-CD1 4.27Å; L150-L163 HydrophobicContact CD1-CD2 3.87Å; L150-L163 HydrophobicContact CD2-CD2 4.04Å; L150-L163 HydrophobicContact CG-CD2 4.29Å; L154-L163 HydrophobicContact CD1-CD2 3.82Å; L154-L163 HydrophobicContact CD2-CD2 3.72Å; L154-L163 HydrophobicContact CG-CD2 4.27Å; L160-L163 HydrophobicContact CD2-CB 4.1Å; L160-L163 HydrophobicContact CD2-CD1 4.34Å; L160-L163 HydrophobicContact CD2-CD2 4.45Å; L163-L165 HydrophobicContact CD1-CD2 3.86Å; L163-L165 HydrophobicContact CD1-CG 4.35Å; L163-L165 HydrophobicContact CD2-CD1 3.86Å; L163-L165 HydrophobicContact CD2-CD2 3.96Å; L163-L165 HydrophobicContact CD2-CG 4Å; L163-L165 HydrophobicContact CG-CD1 4.19Å; L163-L165 HydrophobicContact CG-CD2 3.84Å; L163-L165 HydrophobicContact CG-CG 3.81Å; L163-L205 HydrophobicContact CB-CD1 4.33Å; L163-E207 PolarHBondContact N-O 3.37Å; L163-V208 WeakPolarHBondContact O-CA 3.43Å; L163-E209 PolarHBondContact O-N 3.03Å; L163-E209 VanDerWaalsContact O-N 3.09Å
164S90.8Very high85.2Confident15 Ų1534.8 Ų34.811%0.10518%0.184CC..EExtended strand (participates in β ladder)trans-108.4126.4174.3-53.50000110.7L135 N136 I137 E209L135-S164 PolarHBondContact O-N 3.28Å; N136-S164 WeakPolarHBondContact OD1-CB 3.36Å; I137-S164 PolarHBondContact N-O 2.99Å; I137-S164 VanDerWaalsContact N-O 3.09Å; S164-E209 VanDerWaalsContact CB-OE2 3.26Å; S164-E209 WeakPolarHBondContact CB-OE2 3.27Å; S164-E209 VanDerWaalsContact OG-CD 3.25Å; S164-E209 PolarHBondContact OG-OE2 3.27Å
165L88.3Confident85.1Confident2 Ų236.2 Ų36.21%0.0119%0.19CC..  trans-128.512.5-171-61.8172.4000114I137 L150 L163 N168 I178 V208I137-L165 HydrophobicContact CD1-CD2 3.54Å; I137-L165 HydrophobicContact CG1-CD2 3.55Å; L150-L165 HydrophobicContact CD2-CD1 3.43Å; L150-L165 VanDerWaalsContact CD2-CD1 3.43Å; L150-L165 HydrophobicContact CD2-CD2 3.42Å; L150-L165 VanDerWaalsContact CD2-CD2 3.42Å; L150-L165 HydrophobicContact CD2-CG 4.05Å; L163-L165 HydrophobicContact CD1-CD2 3.86Å; L163-L165 HydrophobicContact CD1-CG 4.35Å; L163-L165 HydrophobicContact CD2-CD1 3.86Å; L163-L165 HydrophobicContact CD2-CD2 3.96Å; L163-L165 HydrophobicContact CD2-CG 4Å; L163-L165 HydrophobicContact CG-CD1 4.19Å; L163-L165 HydrophobicContact CG-CD2 3.84Å; L163-L165 HydrophobicContact CG-CG 3.81Å; L165-N168 WeakPolarHBondContact CA-ND2 3.29Å; L165-N168 WeakPolarHBondContact O-CB 3.36Å; L165-N168 PolarHBondContact O-ND2 3.35Å; L165-I178 HydrophobicContact CD1-CD1 4.3Å; L165-V208 HydrophobicContact CD1-CG1 4.27Å
166D85.8Confident85.2Confident25 Ų2542.3 Ų42.313%0.13421%0.212CC..THydrogen-bonded Turntrans-68160.8-172.1-142.3-18.6000112.3S138 G139 N168 P211 I212 F213 D214S138-D166 CarbonylContact C-O 3.14Å; S138-D166 VanDerWaalsContact C-O 3.29Å; S138-D166 WeakPolarHBondContact CA-O 3.1Å; S138-D166 WeakPolarHBondContact CB-O 2.99Å; S138-D166 PolarHBondContact OG-N 2.85Å; G139-D166 PolarHBondContact N-O 3Å; D166-N168 VanDerWaalsContact C-N 3.26Å; D166-N168 PolarHBondContact O-N 2.91Å; D166-N168 PolarHBondContact O-ND2 3.07Å; D166-P211 HydrophobicContact CB-CB 4.34Å; D166-P211 VanDerWaalsContact CG-CA 3.49Å; D166-P211 VanDerWaalsContact OD1-C 3.25Å; D166-P211 WeakPolarHBondContact OD1-CA 3.37Å; D166-I212 PolarHBondContact OD2-N 2.62Å; D166-F213 VanDerWaalsContact OD1-CB 3.32Å; D166-F213 WeakPolarHBondContact OD1-CB 3.31Å; D166-F213 PolarHBondContact OD1-N 3.37Å; D166-F213 VanDerWaalsContact OD2-CD2 3.22Å; D166-F213 WeakPolarHBondContact OD2-CD2 3.3Å; D166-F213 PolarHBondContact OD2-N 3.34Å; D166-D214 PolarHBondContact OD1-N 2.82Å
167H89Confident85.4Confident90 Ų9042.8 Ų42.842%0.41722%0.215SC..THydrogen-bonded Turntrans53.534.3-180-60.5-74000115.7G139 F213 D214G139-H167 VanDerWaalsContact CA-O 3.22Å; G139-H167 WeakPolarHBondContact CA-O 3.35Å; G139-H167 PolarHBondContact N-O 3.06Å; H167-F213 AromaticContact CD2-CD2 3.84Å; H167-F213 WeakPolarHBondContact CE1-CB 3.45Å; H167-F213 AromaticContact CE1-CD1 3.67Å; H167-F213 AromaticContact CE1-CD2 3.34Å; H167-F213 WeakPolarHBondContact CE1-CD2 3.5Å; H167-F213 AromaticContact CE1-CE2 3.99Å; H167-F213 AromaticContact CE1-CG 3.15Å; H167-F213 WeakPolarHBondContact CE1-CG 3.38Å; H167-F213 AromaticContact ND1-CG 3.94Å; H167-F213 AromaticContact NE2-CD2 3.03Å; H167-F213 WeakPolarHBondContact NE2-CD2 3.1Å; H167-F213 AromaticContact NE2-CE2 3.46Å; H167-F213 WeakPolarHBondContact NE2-CE2 3.49Å; H167-F213 AromaticContact NE2-CG 3.42Å; H167-F213 WeakPolarHBondContact NE2-CG 3.3Å; H167-D214 PolarHBondContact N-OD2 2.96Å
168N89.3Confident85.5Confident0 Ų043 Ų430%022%0.216CC..SBendtrans-99.86.1-177.7-86.7-50000115I137 N140 C141 I142 E143 L165 D166 I170 D214I137-N168 PolarHBondContact O-ND2 3.13Å; I137-N168 PolarHBondContact O-OD1 3.07Å; N140-N168 WeakPolarHBondContact CA-OD1 3.44Å; N140-N168 PolarHBondContact N-OD1 3.12Å; C141-N168 CarbonylContact C-O 3.39Å; C141-N168 PolarHBondContact N-OD1 3.19Å; I142-N168 HydrophobicContact CB-CB 4.04Å; I142-N168 HydrophobicContact CD1-CB 4.15Å; I142-N168 VanDerWaalsContact CD1-CG 3.4Å; I142-N168 WeakPolarHBondContact CD1-ND2 3.35Å; I142-N168 WeakPolarHBondContact CD1-OD1 3.22Å; I142-N168 HydrophobicContact CG1-CB 4.18Å; I142-N168 VanDerWaalsContact CG1-OD1 3.26Å; I142-N168 WeakPolarHBondContact CG1-OD1 3.47Å; I142-N168 PolarHBondContact N-O 3.23Å; E143-N168 PolarHBondContact N-O 2.88Å; L165-N168 WeakPolarHBondContact CA-ND2 3.29Å; L165-N168 WeakPolarHBondContact O-CB 3.36Å; L165-N168 PolarHBondContact O-ND2 3.35Å; D166-N168 VanDerWaalsContact C-N 3.26Å; D166-N168 PolarHBondContact O-N 2.91Å; D166-N168 PolarHBondContact O-ND2 3.07Å; N168-I170 HydrophobicContact CB-CD1 3.82Å; N168-I170 HydrophobicContact CB-CG1 3.86Å; N168-I170 PolarHBondContact O-N 3.02Å; N168-D214 PolarHBondContact N-OD1 3.13Å; N168-D214 PolarHBondContact N-OD2 3.47Å
169Q87.7Confident85.6Confident90 Ų9042.8 Ų42.842%0.42122%0.218SC..  trans58.728-177.7-48.2-170.254.900112.4C141 D214C141-Q169 PolarHBondContact SG-NE2 3.38Å; Q169-D214 WeakPolarHBondContact CA-OD1 3.34Å; Q169-D214 PolarHBondContact N-OD1 3.23Å
170I86.2Confident85.2Confident0 Ų045.4 Ų45.40%023%0.23CC..  trans-79.2134.6175.8-61.5171000107.7A147 N168 F175 I178 H218A147-I170 HydrophobicContact CB-CD1 4.08Å; A147-I170 HydrophobicContact CB-CG1 4.17Å; A147-I170 HydrophobicContact CB-CG2 3.72Å; N168-I170 HydrophobicContact CB-CD1 3.82Å; N168-I170 HydrophobicContact CB-CG1 3.86Å; N168-I170 PolarHBondContact O-N 3.02Å; I170-F175 HydrophobicContact CB-CD2 4.16Å; I170-F175 HydrophobicContact CB-CE1 4.2Å; I170-F175 HydrophobicContact CB-CE2 3.5Å; I170-F175 HydrophobicContact CB-CZ 3.5Å; I170-F175 HydrophobicContact CD1-CE1 4Å; I170-F175 HydrophobicContact CD1-CZ 3.86Å; I170-F175 HydrophobicContact CG1-CZ 4.23Å; I170-F175 HydrophobicContact CG2-CD1 4.11Å; I170-F175 HydrophobicContact CG2-CD2 3.67Å; I170-F175 HydrophobicContact CG2-CE1 3.92Å; I170-F175 HydrophobicContact CG2-CE2 3.53Å; I170-F175 HydrophobicContact CG2-CG 3.95Å; I170-F175 HydrophobicContact CG2-CZ 3.64Å; I170-I178 HydrophobicContact CD1-CD1 4.5Å; I170-H218 PolarHBondContact O-CE1 2.92Å
171T85.8Confident84.7Confident42 Ų4246.2 Ų46.226%0.25824%0.236SC..  trans-80.9166.1178.381.10000113.2D144 N173 G174 F175 H218D144-T171 WeakPolarHBondContact OD1-CA 3.37Å; D144-T171 WeakPolarHBondContact OD1-CB 3.48Å; D144-T171 PolarHBondContact OD1-N 3.48Å; D144-T171 PolarHBondContact OD1-OG1 3.28Å; D144-T171 WeakPolarHBondContact OD2-CG2 3.47Å; D144-T171 PolarHBondContact OD2-OG1 3Å; T171-N173 PolarHBondContact O-N 2.99Å; T171-N173 VanDerWaalsContact O-N 3.14Å; T171-N173 PolarHBondContact OG1-N 3.42Å; T171-G174 WeakPolarHBondContact O-CA 3.46Å; T171-G174 PolarHBondContact O-N 3.44Å; T171-G174 PolarHBondContact OG1-N 3Å; T171-F175 WeakPolarHBondContact O-CD2 3.49Å; T171-F175 PolarHBondContact O-N 3.38Å; T171-H218 WeakPolarHBondContact CA-CE1 3.47Å; T171-H218 VanDerWaalsContact CA-NE2 3.25Å; T171-H218 WeakPolarHBondContact CA-NE2 3.33Å; T171-H218 WeakPolarHBondContact CB-NE2 3.24Å
172L81.6Confident83.9Confident84 Ų8446.3 Ų46.344%0.4424%0.238SC..Hα-helixtrans-52.8-34.9170.3-158.589.6000111.1R176L172-R176 WeakPolarHBondContact O-CB 3.43Å; L172-R176 VanDerWaalsContact O-CG 3.22Å; L172-R176 WeakPolarHBondContact O-CG 3.46Å; L172-R176 PolarHBondContact O-N 2.91Å
173N83.8Confident82.8Confident101 Ų10149.1 Ų49.154%0.5425%0.25SS..Hα-helixtrans-69.9-42.2175.3-79.1-24.6000112.2T171 F175 R176 V177T171-N173 PolarHBondContact O-N 2.99Å; T171-N173 VanDerWaalsContact O-N 3.14Å; T171-N173 PolarHBondContact OG1-N 3.42Å; N173-F175 VanDerWaalsContact C-N 3.33Å; N173-F175 PolarHBondContact O-N 3.25Å; N173-R176 WeakPolarHBondContact O-CB 3.39Å; N173-R176 PolarHBondContact O-N 3.24Å; N173-V177 WeakPolarHBondContact O-CG2 3.33Å; N173-V177 PolarHBondContact O-N 3.04Å
174G84.2Confident81.4Confident0 Ų054.2 Ų54.20%027%0.274CS..Hα-helixtrans-58-44.5173.200000112.2D144 T171 R176 V177 I178D144-G174 WeakPolarHBondContact OD1-CA 3.36Å; D144-G174 PolarHBondContact OD1-N 3.01Å; T171-G174 WeakPolarHBondContact O-CA 3.46Å; T171-G174 PolarHBondContact O-N 3.44Å; T171-G174 PolarHBondContact OG1-N 3Å; G174-R176 PolarHBondContact O-N 3.46Å; G174-V177 WeakPolarHBondContact O-CB 3.36Å; G174-V177 PolarHBondContact O-N 3.31Å; G174-V177 VanDerWaalsContact O-N 3.15Å; G174-I178 PolarHBondContact O-N 3.46Å; G174-I178 VanDerWaalsContact O-N 3.15Å
175F80.5Confident79.6Confident31 Ų3155.4 Ų55.414%0.13628%0.276CS..Hα-helixtrans-66.9-35.2175-76.3-57.7000113.6I170 T171 N173 V177 I178 A179 P211 D214I170-F175 HydrophobicContact CB-CD2 4.16Å; I170-F175 HydrophobicContact CB-CE1 4.2Å; I170-F175 HydrophobicContact CB-CE2 3.5Å; I170-F175 HydrophobicContact CB-CZ 3.5Å; I170-F175 HydrophobicContact CD1-CE1 4Å; I170-F175 HydrophobicContact CD1-CZ 3.86Å; I170-F175 HydrophobicContact CG1-CZ 4.23Å; I170-F175 HydrophobicContact CG2-CD1 4.11Å; I170-F175 HydrophobicContact CG2-CD2 3.67Å; I170-F175 HydrophobicContact CG2-CE1 3.92Å; I170-F175 HydrophobicContact CG2-CE2 3.53Å; I170-F175 HydrophobicContact CG2-CG 3.95Å; I170-F175 HydrophobicContact CG2-CZ 3.64Å; T171-F175 WeakPolarHBondContact O-CD2 3.49Å; T171-F175 PolarHBondContact O-N 3.38Å; N173-F175 VanDerWaalsContact C-N 3.33Å; N173-F175 PolarHBondContact O-N 3.25Å; F175-V177 PolarHBondContact O-N 3.32Å; F175-I178 HydrophobicContact CD1-CD1 4.03Å; F175-I178 HydrophobicContact CE1-CD1 4.16Å; F175-I178 PolarHBondContact O-N 3.18Å; F175-A179 VanDerWaalsContact O-CB 3.27Å; F175-A179 WeakPolarHBondContact O-CB 3.37Å; F175-A179 PolarHBondContact O-N 3.14Å; F175-P211 HydrophobicContact CD1-CG 3.86Å; F175-P211 HydrophobicContact CD2-CG 4.41Å; F175-P211 HydrophobicContact CE1-CB 4.1Å; F175-P211 HydrophobicContact CE1-CG 3.13Å; F175-P211 HydrophobicContact CE2-CB 4.31Å; F175-P211 HydrophobicContact CE2-CG 3.71Å; F175-P211 HydrophobicContact CG-CG 4.47Å; F175-P211 HydrophobicContact CZ-CB 3.6Å; F175-P211 HydrophobicContact CZ-CG 3.02Å; F175-D214 HydrophobicContact CE2-CB 3.62Å; F175-D214 HydrophobicContact CZ-CB 4.09Å
176R81.5Confident77.8Confident147 Ų14759.6 Ų59.656%0.55531%0.305SS*.Hα-helixtrans-60.8-35.7171.7-76.7173.471-169.15.9111.8L172 N173 G174 N180L172-R176 WeakPolarHBondContact O-CB 3.43Å; L172-R176 VanDerWaalsContact O-CG 3.22Å; L172-R176 WeakPolarHBondContact O-CG 3.46Å; L172-R176 PolarHBondContact O-N 2.91Å; N173-R176 WeakPolarHBondContact O-CB 3.39Å; N173-R176 PolarHBondContact O-N 3.24Å; G174-R176 PolarHBondContact O-N 3.46Å; R176-N180 WeakPolarHBondContact O-CB 3.43Å; R176-N180 PolarHBondContact O-N 2.63Å; R176-N180 PolarHBondContact O-ND2 3.4Å
177V84.4Confident75.9Confident49 Ų4965.5 Ų65.530%0.29733%0.334SS..Hα-helixtrans-65.1-49.1174.11780000110.7R148 A151 N173 G174 F175 A179 N180 S181R148-V177 HydrophobicContact CG-CG1 4.09Å; R148-V177 HydrophobicContact CG-CG2 4.38Å; A151-V177 HydrophobicContact CB-CG1 3.93Å; N173-V177 WeakPolarHBondContact O-CG2 3.33Å; N173-V177 PolarHBondContact O-N 3.04Å; G174-V177 WeakPolarHBondContact O-CB 3.36Å; G174-V177 PolarHBondContact O-N 3.31Å; G174-V177 VanDerWaalsContact O-N 3.15Å; F175-V177 PolarHBondContact O-N 3.32Å; V177-A179 VanDerWaalsContact C-N 3.34Å; V177-A179 PolarHBondContact O-N 2.89Å; V177-N180 PolarHBondContact O-N 2.97Å; V177-S181 WeakPolarHBondContact O-CB 3.37Å; V177-S181 PolarHBondContact O-N 3.41Å; V177-S181 PolarHBondContact O-OG 2.99Å; V177-S181 VanDerWaalsContact O-OG 3.11Å
178I82.2Confident74Confident8 Ų865.3 Ų65.34%0.04133%0.332CS..Hα-helixtrans-58-48.9177.4-63168.8000110.4A147 L150 A151 L154 L165 I170 G174 F175 N180 S181 L182A147-I178 HydrophobicContact CB-CD1 3.85Å; A147-I178 HydrophobicContact CB-CG1 4.25Å; A147-I178 WeakPolarHBondContact O-CG1 3.25Å; L150-I178 HydrophobicContact CD2-CD1 4.06Å; A151-I178 HydrophobicContact CB-CG1 4.22Å; L154-I178 HydrophobicContact CD1-CG2 4.31Å; L165-I178 HydrophobicContact CD1-CD1 4.3Å; I170-I178 HydrophobicContact CD1-CD1 4.5Å; G174-I178 PolarHBondContact O-N 3.46Å; G174-I178 VanDerWaalsContact O-N 3.15Å; F175-I178 HydrophobicContact CD1-CD1 4.03Å; F175-I178 HydrophobicContact CE1-CD1 4.16Å; F175-I178 PolarHBondContact O-N 3.18Å; I178-N180 PolarHBondContact O-N 2.74Å; I178-S181 PolarHBondContact O-N 3.44Å; I178-L182 HydrophobicContact CG2-CD1 4.03Å; I178-L182 WeakPolarHBondContact O-CG 3.3Å; I178-L182 PolarHBondContact O-N 3.05Å
179A77.3Confident72.1Confident53 Ų5371.8 Ų71.844%0.43836%0.362SS..Hα-helixtrans-63.1-41.8-179.800000112.4F175 V177 L182 K183F175-A179 VanDerWaalsContact O-CB 3.27Å; F175-A179 WeakPolarHBondContact O-CB 3.37Å; F175-A179 PolarHBondContact O-N 3.14Å; V177-A179 VanDerWaalsContact C-N 3.34Å; V177-A179 PolarHBondContact O-N 2.89Å; A179-L182 PolarHBondContact O-N 3.45Å; A179-K183 VanDerWaalsContact O-CB 3.24Å; A179-K183 WeakPolarHBondContact O-CB 3.16Å; A179-K183 PolarHBondContact O-N 3.46Å
180N77.8Confident70.1Confident84 Ų8470.7 Ų70.745%0.44938%0.375SS..Hα-helixtrans-65.6-42.9176.6-77.1-9.7000111.4R176 V177 I178 L182 K183 E184R176-N180 WeakPolarHBondContact O-CB 3.43Å; R176-N180 PolarHBondContact O-N 2.63Å; R176-N180 PolarHBondContact O-ND2 3.4Å; V177-N180 PolarHBondContact O-N 2.97Å; I178-N180 PolarHBondContact O-N 2.74Å; N180-L182 VanDerWaalsContact C-N 3.3Å; N180-L182 PolarHBondContact O-N 3.13Å; N180-K183 PolarHBondContact O-N 2.81Å; N180-K183 VanDerWaalsContact O-N 3.15Å; N180-E184 WeakPolarHBondContact O-CB 3.46Å; N180-E184 WeakPolarHBondContact O-CG 3.44Å; N180-E184 PolarHBondContact O-N 3.29Å
181S76.6Confident67.9Low19 Ų1978.2 Ų78.213%0.13341%0.41CS..Hα-helixtrans-62.1-37.4176.6-65.30000112.5A151 V177 I178 Y185A151-S181 WeakPolarHBondContact CB-OG 3.35Å; V177-S181 WeakPolarHBondContact O-CB 3.37Å; V177-S181 PolarHBondContact O-N 3.41Å; V177-S181 PolarHBondContact O-OG 2.99Å; V177-S181 VanDerWaalsContact O-OG 3.11Å; I178-S181 PolarHBondContact O-N 3.44Å; S181-Y185 PolarHBondContact O-N 2.96Å
182L70.4Confident65.8Low55 Ų5584.4 Ų84.429%0.28844%0.441SS..Hα-helixtrans-73.3-33.1173.4-66.6173.6000112.8L154 I178 A179 N180 Y185 C186 L205L154-L182 HydrophobicContact CB-CD2 4.35Å; I178-L182 HydrophobicContact CG2-CD1 4.03Å; I178-L182 WeakPolarHBondContact O-CG 3.3Å; I178-L182 PolarHBondContact O-N 3.05Å; A179-L182 PolarHBondContact O-N 3.45Å; N180-L182 VanDerWaalsContact C-N 3.3Å; N180-L182 PolarHBondContact O-N 3.13Å; L182-Y185 WeakPolarHBondContact O-CB 3.47Å; L182-Y185 PolarHBondContact O-N 2.91Å; L182-C186 PolarHBondContact O-N 3.38Å; L182-L205 HydrophobicContact CD2-CD2 3.89Å
183K66.3Low63.9Low136 Ų13684.4 Ų84.459%0.59144%0.441SS*.Hα-helixtrans-75.7-41.1179.3-170.5176.8-179.3-179.50112.4A179 N180 Y185 C186 M187A179-K183 VanDerWaalsContact O-CB 3.24Å; A179-K183 WeakPolarHBondContact O-CB 3.16Å; A179-K183 PolarHBondContact O-N 3.46Å; N180-K183 PolarHBondContact O-N 2.81Å; N180-K183 VanDerWaalsContact O-N 3.15Å; K183-Y185 PolarHBondContact O-N 3.3Å; K183-C186 PolarHBondContact O-N 3.21Å; K183-M187 PolarHBondContact O-N 2.99Å
184E59.4Low61.6Low107 Ų10784.5 Ų84.550%0.545%0.447SS..Hα-helixtrans-55.4-41.1171.3-77.7-177.1174.700109.7M155 N180 C186 M187 F188M155-E184 HydrophobicContact CE-CB 4.48Å; N180-E184 WeakPolarHBondContact O-CB 3.46Å; N180-E184 WeakPolarHBondContact O-CG 3.44Å; N180-E184 PolarHBondContact O-N 3.29Å; E184-C186 PolarHBondContact O-N 3.12Å; E184-M187 PolarHBondContact O-N 3.4Å; E184-F188 HydrophobicContact CB-CE2 4.5Å; E184-F188 WeakPolarHBondContact O-CD2 3.39Å; E184-F188 PolarHBondContact O-N 3.47Å
185Y54Low59.6Low40 Ų4096.3 Ų96.316%0.15749%0.492CS..Hα-helixtrans-57.7-45.4172.7178-91.4000113.3S181 L182 K183 F188 Q189 F200 N202 T203S181-Y185 PolarHBondContact O-N 2.96Å; L182-Y185 WeakPolarHBondContact O-CB 3.47Å; L182-Y185 PolarHBondContact O-N 2.91Å; K183-Y185 PolarHBondContact O-N 3.3Å; Y185-F188 PolarHBondContact O-N 3.25Å; Y185-Q189 PolarHBondContact OH-NE2 3.43Å; Y185-Q189 VanDerWaalsContact OH-NE2 3.11Å; Y185-F200 HydrophobicContact CD2-CB 4.44Å; Y185-N202 VanDerWaalsContact CE1-O 3.31Å; Y185-N202 WeakPolarHBondContact CE1-O 3.45Å; Y185-N202 VanDerWaalsContact CE2-O 3.22Å; Y185-N202 WeakPolarHBondContact CE2-O 3.43Å; Y185-N202 PolarHBondContact OH-O 3.12Å; Y185-T203 WeakPolarHBondContact OH-CG2 3.28Å
186C49.4Very low57.9Low91 Ų91102.6 Ų102.662%0.61553%0.525SS*.Hα-helixtrans-69.2-34.8177.6-1110000113.6L182 K183 E184 F188 Q189L182-C186 PolarHBondContact O-N 3.38Å; K183-C186 PolarHBondContact O-N 3.21Å; E184-C186 PolarHBondContact O-N 3.12Å; C186-F188 VanDerWaalsContact C-N 3.28Å; C186-F188 PolarHBondContact O-N 3.22Å; C186-Q189 PolarHBondContact O-N 3.06Å
187M47.2Very low55.8Low149 Ų14997.6 Ų97.673%0.73452%0.516SS*.Hα-helixtrans-67.3-29.1177.2-91.8-171.3125.800112.6K183 E184 Q189K183-M187 PolarHBondContact O-N 2.99Å; E184-M187 PolarHBondContact O-N 3.4Å; M187-Q189 VanDerWaalsContact C-N 3.31Å; M187-Q189 PolarHBondContact O-N 2.92Å
188F49.1Very low53.8Low85 Ų8597.8 Ų97.837%0.37353%0.527SS..Hα-helixtrans-74.9-14.8175.3-74.5-60.8000114.5E184 Y185 C186 G190 L193E184-F188 HydrophobicContact CB-CE2 4.5Å; E184-F188 WeakPolarHBondContact O-CD2 3.39Å; E184-F188 PolarHBondContact O-N 3.47Å; Y185-F188 PolarHBondContact O-N 3.25Å; C186-F188 VanDerWaalsContact C-N 3.28Å; C186-F188 PolarHBondContact O-N 3.22Å; F188-G190 PolarHBondContact O-N 3.37Å; F188-L193 HydrophobicContact CD1-CB 4.21Å; F188-L193 HydrophobicContact CD1-CD1 3.59Å; F188-L193 HydrophobicContact CD1-CD2 3.53Å; F188-L193 HydrophobicContact CD1-CG 3.9Å; F188-L193 HydrophobicContact CE1-CD1 3.35Å; F188-L193 HydrophobicContact CE1-CD2 3.1Å; F188-L193 HydrophobicContact CE1-CG 3.7Å; F188-L193 HydrophobicContact CZ-CD2 4Å
189Q47.9Very low52.2Low137 Ų137103.3 Ų103.364%0.6456%0.557SS**THydrogen-bonded Turntrans-77.3-7.5175.8-73.2-101-2.600113.2Y185 C186 M187Y185-Q189 PolarHBondContact OH-NE2 3.43Å; Y185-Q189 VanDerWaalsContact OH-NE2 3.11Å; C186-Q189 PolarHBondContact O-N 3.06Å; M187-Q189 VanDerWaalsContact C-N 3.31Å; M187-Q189 PolarHBondContact O-N 2.92Å
190G46.9Very low51Low66 Ų66104.9 Ų104.968%0.6855%0.554SS**SBendtrans-118.8-1.8-173.400000116.7F188F188-G190 PolarHBondContact O-N 3.37Å
191Q39.2Very low50Low158 Ų158109.3 Ų109.374%0.73856%0.564SS**SBendtrans-140.5135.5176.1-71.6-156.1-2.500111.7L193Q191-L193 PolarHBondContact O-N 3.26Å
192D41.5Very low49.1Very low173 Ų173108.8 Ų108.893%0.92556%0.56SS**  trans-50.797.3169.2-75.4-50.3000110.2
193L41.5Very low48.7Very low84 Ų84111.1 Ų111.144%0.4458%0.577SS.*  trans-89.2128.3172.2-135.881.4000109.7F188 Q191 R195 A197F188-L193 HydrophobicContact CD1-CB 4.21Å; F188-L193 HydrophobicContact CD1-CD1 3.59Å; F188-L193 HydrophobicContact CD1-CD2 3.53Å; F188-L193 HydrophobicContact CD1-CG 3.9Å; F188-L193 HydrophobicContact CE1-CD1 3.35Å; F188-L193 HydrophobicContact CE1-CD2 3.1Å; F188-L193 HydrophobicContact CE1-CG 3.7Å; F188-L193 HydrophobicContact CZ-CD2 4Å; Q191-L193 PolarHBondContact O-N 3.26Å; L193-R195 PolarHBondContact O-N 3.43Å; L193-R195 VanDerWaalsContact O-N 3.11Å; L193-A197 HydrophobicContact CD2-CB 4.09Å
194P36.9Very low48.7Very low102 Ų102106.4 Ų106.466%0.66256%0.559SS**  trans-62.8119.9171.8-111.9000108I196P194-I196 WeakPolarHBondContact O-CG1 3.12Å; P194-I196 PolarHBondContact O-N 3.15Å
195R41.9Very low49.3Very low249 Ų249103 Ų10394%0.9455%0.545SS*.SBendtrans12.913156.5-79.2171.471.8177.72.5123.1L193L193-R195 PolarHBondContact O-N 3.43Å; L193-R195 VanDerWaalsContact O-N 3.11Å
196I43.7Very low50Low162 Ų162106.6 Ų106.683%0.83157%0.571SS**  trans-96.8-7.4176.4-33.6176.7000111.1P194 G198P194-I196 WeakPolarHBondContact O-CG1 3.12Å; P194-I196 PolarHBondContact O-N 3.15Å; I196-G198 VanDerWaalsContact C-N 3.34Å; I196-G198 PolarHBondContact O-N 3.09Å
197A39.3Very low50.9Low43 Ų43106 Ų10636%0.35556%0.559SS.*  trans-89.449.3-179.400000113.9L193 N199 F200L193-A197 HydrophobicContact CD2-CB 4.09Å; A197-N199 PolarHBondContact O-N 3.04Å; A197-N199 VanDerWaalsContact O-N 3.16Å; A197-F200 HydrophobicContact CB-CD2 4.39Å
198G41.7Very low52.1Low53 Ų53101 Ų10155%0.54654%0.537SS..THydrogen-bonded Turntrans-69.1-5.8-176.200000116.7I196I196-G198 VanDerWaalsContact C-N 3.34Å; I196-G198 PolarHBondContact O-N 3.09Å
199N49.1Very low53.2Low123 Ų123101.7 Ų101.766%0.65854%0.541SS*.THydrogen-bonded Turntrans-124.13-164.4-82.1-3.3000116.6A197A197-N199 PolarHBondContact O-N 3.04Å; A197-N199 VanDerWaalsContact O-N 3.16Å
200F51.7Low54Low86 Ų86101.2 Ų101.238%0.37754%0.542SS..  trans-101.7103.6-179.3-58.5-61.2000110M155 Y185 A197M155-F200 HydrophobicContact CB-CD1 3.94Å; M155-F200 HydrophobicContact CB-CE1 4.22Å; M155-F200 HydrophobicContact CE-CD1 3.56Å; M155-F200 HydrophobicContact CE-CE1 3.12Å; M155-F200 HydrophobicContact CE-CZ 3.83Å; M155-F200 HydrophobicContact CG-CD1 4.36Å; M155-F200 HydrophobicContact CG-CE1 4.42Å; M155-F200 HydrophobicContact SD-CD1 4.25Å; M155-F200 HydrophobicContact SD-CE1 3.74Å; Y185-F200 HydrophobicContact CD2-CB 4.44Å; A197-F200 HydrophobicContact CB-CD2 4.39Å
201R57.3Low55.2Low177 Ų17798.4 Ų98.467%0.66851%0.512SS*.  trans-121.5-3.4-168.6-72.2-171179.5-173.50.1115.2M155 C158 T203M155-R201 PolarHBondContact O-N 3.38Å; M155-R201 VanDerWaalsContact O-N 3.12Å; C158-R201 HydrophobicContact CB-CB 4.47Å; C158-R201 VanDerWaalsContact CB-O 3.27Å; C158-R201 WeakPolarHBondContact CB-O 3.42Å; R201-T203 PolarHBondContact O-N 3.12Å
202N57.6Low56.8Low8 Ų896.2 Ų96.24%0.04350%0.504CS..  trans-76.395.3-175.2-164.6-20.5000113.8L154 M155 N157 Y185 T204 L205L154-N202 WeakPolarHBondContact O-CB 3.47Å; L154-N202 VanDerWaalsContact O-CG 3.28Å; L154-N202 PolarHBondContact O-ND2 3.1Å; M155-N202 PolarHBondContact O-N 3.16Å; N157-N202 WeakPolarHBondContact O-CA 3.42Å; N157-N202 WeakPolarHBondContact O-CB 3.33Å; N157-N202 PolarHBondContact O-ND2 3.33Å; N157-N202 PolarHBondContact O-OD1 2.93Å; Y185-N202 VanDerWaalsContact CE1-O 3.31Å; Y185-N202 WeakPolarHBondContact CE1-O 3.45Å; Y185-N202 VanDerWaalsContact CE2-O 3.22Å; Y185-N202 WeakPolarHBondContact CE2-O 3.43Å; Y185-N202 PolarHBondContact OH-O 3.12Å; N202-T204 PolarHBondContact OD1-N 2.95Å; N202-T204 PolarHBondContact OD1-OG1 3.16Å; N202-L205 PolarHBondContact OD1-N 3.43Å; N202-L205 VanDerWaalsContact OD1-N 3.13Å
203T61.9Low58.4Low105 Ų10593.4 Ų93.464%0.64448%0.484SS*.  trans-98.70.7174.7550000113.9Y185 R201Y185-T203 WeakPolarHBondContact OH-CG2 3.28Å; R201-T203 PolarHBondContact O-N 3.12Å
204T64.8Low60.1Low36 Ų3689.6 Ų89.622%0.22146%0.464CS..  trans-110.4-20.3-165.955.10000114.6C158 C159 L160 E161 N202 T206C158-T204 WeakPolarHBondContact O-CG2 3.46Å; C158-T204 PolarHBondContact O-OG1 3.05Å; C159-T204 WeakPolarHBondContact CA-OG1 3.38Å; C159-T204 PolarHBondContact N-OG1 3.14Å; C159-T204 VanDerWaalsContact N-OG1 3.11Å; L160-T204 PolarHBondContact N-OG1 3.49Å; L160-T204 CarbonylContact O-C 3.29Å; L160-T204 VanDerWaalsContact O-C 3.25Å; L160-T204 PolarHBondContact O-OG1 3.28Å; E161-T204 WeakPolarHBondContact CA-O 3.4Å; N202-T204 PolarHBondContact OD1-N 2.95Å; N202-T204 PolarHBondContact OD1-OG1 3.16Å; T204-T206 PolarHBondContact O-N 3.12Å
205L72.5Confident61.8Low37 Ų3787.3 Ų87.319%0.19445%0.446CS..  trans-68.5105.9-177.7-169.270.5000110L154 L160 L163 L182 N202 V208L154-L205 HydrophobicContact CB-CD2 4.46Å; L154-L205 HydrophobicContact CD1-CD2 4.34Å; L154-L205 HydrophobicContact CD2-CD1 4.33Å; L154-L205 HydrophobicContact CD2-CD2 3.75Å; L154-L205 HydrophobicContact CG-CD2 4.39Å; L160-L205 HydrophobicContact CD2-CD1 4.26Å; L160-L205 HydrophobicContact CG-CD1 4.26Å; L160-L205 WeakPolarHBondContact O-CA 3.41Å; L160-L205 PolarHBondContact O-N 2.82Å; L160-L205 VanDerWaalsContact O-N 3.09Å; L163-L205 HydrophobicContact CB-CD1 4.33Å; L182-L205 HydrophobicContact CD2-CD2 3.89Å; N202-L205 PolarHBondContact OD1-N 3.43Å; N202-L205 VanDerWaalsContact OD1-N 3.13Å; L205-V208 HydrophobicContact CD1-CG2 4.17Å; L205-V208 HydrophobicContact CD2-CG2 3.61Å; L205-V208 HydrophobicContact CG-CG2 3.92Å
206T68.1Low63.4Low114 Ų11482.4 Ų82.470%0.69943%0.428SS*.  trans-103.9-27.7-176.148.30000112E161 T204E161-T206 PolarHBondContact O-N 3.33Å; E161-T206 PolarHBondContact O-OG1 3.05Å; T204-T206 PolarHBondContact O-N 3.12Å
207E69.3Low65.1Low78 Ų7879.7 Ų79.736%0.36441%0.41SS..EExtended strand (participates in β ladder)trans-137.3119.6-174.8-162.8170.9177.200110.7E161 K162 L163E161-E207 PolarHBondContact O-N 3.41Å; K162-E207 VanDerWaalsContact CA-O 3.26Å; K162-E207 WeakPolarHBondContact CA-O 3.39Å; K162-E207 HydrophobicContact CB-CB 4.45Å; K162-E207 HydrophobicContact CD-CB 4.28Å; K162-E207 VanDerWaalsContact CD-OE2 3.25Å; K162-E207 WeakPolarHBondContact CD-OE2 3.18Å; K162-E207 WeakPolarHBondContact CE-OE2 3.32Å; K162-E207 HydrophobicContact CG-CB 4.04Å; K162-E207 IonicContact NZ-OE2 2.86Å; K162-E207 PolarHBondContact NZ-OE2 3.05Å; L163-E207 PolarHBondContact N-O 3.37Å
208V72.4Confident66.8Low46 Ų4679.4 Ų79.428%0.27940%0.402SS..EExtended strand (participates in β ladder)trans-117.3112.8163.8-178.20000105.4L163 L165 L205 L210L163-V208 WeakPolarHBondContact O-CA 3.43Å; L165-V208 HydrophobicContact CD1-CG1 4.27Å; L205-V208 HydrophobicContact CD1-CG2 4.17Å; L205-V208 HydrophobicContact CD2-CG2 3.61Å; L205-V208 HydrophobicContact CG-CG2 3.92Å; V208-L210 PolarHBondContact O-N 2.91Å
209E71.1Confident68.4Low98 Ų9881.8 Ų81.846%0.45840%0.401SS..  trans-61.7127.3177.1-71.9-178.2164.200108.4L163 S164 P211L163-E209 PolarHBondContact O-N 3.03Å; L163-E209 VanDerWaalsContact O-N 3.09Å; S164-E209 VanDerWaalsContact CB-OE2 3.26Å; S164-E209 WeakPolarHBondContact CB-OE2 3.27Å; S164-E209 VanDerWaalsContact OG-CD 3.25Å; S164-E209 PolarHBondContact OG-OE2 3.27Å; E209-P211 WeakPolarHBondContact O-CD 3.38Å
210L65.8Low69.9Low127 Ų12780.9 Ų80.967%0.66539%0.391SS*.  trans-60.9126.8176-70.7175.2000107.7V208 I212V208-L210 PolarHBondContact O-N 2.91Å; L210-I212 HydrophobicContact CB-CG1 4.32Å; L210-I212 WeakPolarHBondContact O-CG1 3.42Å; L210-I212 PolarHBondContact O-N 3.22Å
211P72.9Confident71.1Confident7 Ų779.2 Ų79.25%0.04539%0.388CS..  trans-7976.3179.326.5-23.3000108.3D166 F175 E209 F213 D214 I215D166-P211 HydrophobicContact CB-CB 4.34Å; D166-P211 VanDerWaalsContact CG-CA 3.49Å; D166-P211 VanDerWaalsContact OD1-C 3.25Å; D166-P211 WeakPolarHBondContact OD1-CA 3.37Å; F175-P211 HydrophobicContact CD1-CG 3.86Å; F175-P211 HydrophobicContact CD2-CG 4.41Å; F175-P211 HydrophobicContact CE1-CB 4.1Å; F175-P211 HydrophobicContact CE1-CG 3.13Å; F175-P211 HydrophobicContact CE2-CB 4.31Å; F175-P211 HydrophobicContact CE2-CG 3.71Å; F175-P211 HydrophobicContact CG-CG 4.47Å; F175-P211 HydrophobicContact CZ-CB 3.6Å; F175-P211 HydrophobicContact CZ-CG 3.02Å; E209-P211 WeakPolarHBondContact O-CD 3.38Å; P211-F213 PolarHBondContact O-N 3.26Å; P211-D214 HydrophobicContact CB-CB 4.28Å; P211-D214 PolarHBondContact O-N 3.27Å; P211-I215 HydrophobicContact CG-CD1 4.48Å; P211-I215 WeakPolarHBondContact O-CG1 3.48Å; P211-I215 PolarHBondContact O-N 2.94Å
212I72.5Confident72.1Confident113 Ų11374.5 Ų74.558%0.57938%0.376SS*.Hα-helixtrans-57.7-39.3-170.1-69.1168.3000109.5D166 L210 Y216D166-I212 PolarHBondContact OD2-N 2.62Å; L210-I212 HydrophobicContact CB-CG1 4.32Å; L210-I212 WeakPolarHBondContact O-CG1 3.42Å; L210-I212 PolarHBondContact O-N 3.22Å; I212-Y216 WeakPolarHBondContact O-CB 3.45Å; I212-Y216 PolarHBondContact O-N 3.19Å
213F75.1Confident73Confident113 Ų11382.1 Ų82.150%0.49640%0.404SS..Hα-helixtrans-72.7-40.3-178.2-66.7-78.9000112.7D166 H167 P211 Y216 K217D166-F213 VanDerWaalsContact OD1-CB 3.32Å; D166-F213 WeakPolarHBondContact OD1-CB 3.31Å; D166-F213 PolarHBondContact OD1-N 3.37Å; D166-F213 VanDerWaalsContact OD2-CD2 3.22Å; D166-F213 WeakPolarHBondContact OD2-CD2 3.3Å; D166-F213 PolarHBondContact OD2-N 3.34Å; H167-F213 AromaticContact CD2-CD2 3.84Å; H167-F213 WeakPolarHBondContact CE1-CB 3.45Å; H167-F213 AromaticContact CE1-CD1 3.67Å; H167-F213 AromaticContact CE1-CD2 3.34Å; H167-F213 WeakPolarHBondContact CE1-CD2 3.5Å; H167-F213 AromaticContact CE1-CE2 3.99Å; H167-F213 AromaticContact CE1-CG 3.15Å; H167-F213 WeakPolarHBondContact CE1-CG 3.38Å; H167-F213 AromaticContact ND1-CG 3.94Å; H167-F213 AromaticContact NE2-CD2 3.03Å; H167-F213 WeakPolarHBondContact NE2-CD2 3.1Å; H167-F213 AromaticContact NE2-CE2 3.46Å; H167-F213 WeakPolarHBondContact NE2-CE2 3.49Å; H167-F213 AromaticContact NE2-CG 3.42Å; H167-F213 WeakPolarHBondContact NE2-CG 3.3Å; P211-F213 PolarHBondContact O-N 3.26Å; F213-Y216 PolarHBondContact O-N 2.91Å; F213-K217 VanDerWaalsContact O-CB 3.3Å; F213-K217 WeakPolarHBondContact O-CB 3.48Å; F213-K217 PolarHBondContact O-N 3.14Å
214D76.3Confident73.8Confident4 Ų482 Ų822%0.02140%0.396CS..Hα-helixtrans-65.6-40.6175.7-70.1-58.1000111.4D166 H167 N168 Q169 F175 P211 K217 H218D166-D214 PolarHBondContact OD1-N 2.82Å; H167-D214 PolarHBondContact N-OD2 2.96Å; N168-D214 PolarHBondContact N-OD1 3.13Å; N168-D214 PolarHBondContact N-OD2 3.47Å; Q169-D214 WeakPolarHBondContact CA-OD1 3.34Å; Q169-D214 PolarHBondContact N-OD1 3.23Å; F175-D214 HydrophobicContact CE2-CB 3.62Å; F175-D214 HydrophobicContact CZ-CB 4.09Å; P211-D214 HydrophobicContact CB-CB 4.28Å; P211-D214 PolarHBondContact O-N 3.27Å; D214-K217 PolarHBondContact O-N 3.38Å; D214-H218 PolarHBondContact O-N 2.83Å; D214-H218 PolarHBondContact O-ND1 3.21Å
215I74Confident74.2Confident54 Ų5486.1 Ų86.128%0.27741%0.411SS..Hα-helixtrans-63.2-48.6175-66.9168.6000110.4P211 K217 H218 I219P211-I215 HydrophobicContact CG-CD1 4.48Å; P211-I215 WeakPolarHBondContact O-CG1 3.48Å; P211-I215 PolarHBondContact O-N 2.94Å; I215-K217 VanDerWaalsContact C-N 3.31Å; I215-K217 PolarHBondContact O-N 3.14Å; I215-H218 PolarHBondContact O-N 2.89Å; I215-H218 VanDerWaalsContact O-N 3.12Å; I215-I219 HydrophobicContact CG2-CD1 3.79Å; I215-I219 HydrophobicContact CG2-CG1 4.42Å; I215-I219 WeakPolarHBondContact O-CG1 3.18Å; I215-I219 PolarHBondContact O-N 3.36Å
216Y75.1Confident73.8Confident146 Ų14687 Ų8757%0.57342%0.424SS*.Hα-helixtrans-59.6-42.5179.1177.8-100.1000111.8I212 F213 H218 I219 K220I212-Y216 WeakPolarHBondContact O-CB 3.45Å; I212-Y216 PolarHBondContact O-N 3.19Å; F213-Y216 PolarHBondContact O-N 2.91Å; Y216-H218 VanDerWaalsContact C-N 3.27Å; Y216-H218 PolarHBondContact O-N 3.15Å; Y216-I219 PolarHBondContact O-N 3.1Å; Y216-K220 HydrophobicContact CE1-CD 4.45Å; Y216-K220 WeakPolarHBondContact O-CB 3.27Å; Y216-K220 PolarHBondContact O-N 3.42Å
217K78.3Confident74.3Confident105 Ų10586 Ų8646%0.45741%0.411SS..Hα-helixtrans-58.3-40.5176-173.7-179.9178.6-174.90111.4F213 D214 I215 T221F213-K217 VanDerWaalsContact O-CB 3.3Å; F213-K217 WeakPolarHBondContact O-CB 3.48Å; F213-K217 PolarHBondContact O-N 3.14Å; D214-K217 PolarHBondContact O-N 3.38Å; I215-K217 VanDerWaalsContact C-N 3.31Å; I215-K217 PolarHBondContact O-N 3.14Å; K217-T221 WeakPolarHBondContact O-CB 3.38Å; K217-T221 PolarHBondContact O-N 2.83Å; K217-T221 PolarHBondContact O-OG1 3.42Å
218H76Confident74.7Confident37 Ų3784.7 Ų84.717%0.17141%0.413CS..Hα-helixtrans-68.8-47.1177.2-77.677.4000112.7I170 T171 D214 I215 Y216 K220 T221 D222I170-H218 PolarHBondContact O-CE1 2.92Å; T171-H218 WeakPolarHBondContact CA-CE1 3.47Å; T171-H218 VanDerWaalsContact CA-NE2 3.25Å; T171-H218 WeakPolarHBondContact CA-NE2 3.33Å; T171-H218 WeakPolarHBondContact CB-NE2 3.24Å; D214-H218 PolarHBondContact O-N 2.83Å; D214-H218 PolarHBondContact O-ND1 3.21Å; I215-H218 PolarHBondContact O-N 2.89Å; I215-H218 VanDerWaalsContact O-N 3.12Å; Y216-H218 VanDerWaalsContact C-N 3.27Å; Y216-H218 PolarHBondContact O-N 3.15Å; H218-K220 VanDerWaalsContact C-N 3.28Å; H218-K220 PolarHBondContact O-N 3.15Å; H218-T221 PolarHBondContact O-N 3.03Å; H218-T221 VanDerWaalsContact O-N 3.15Å; H218-D222 WeakPolarHBondContact O-CB 3.32Å; H218-D222 PolarHBondContact O-N 3.23Å
219I75.8Confident74.5Confident103 Ų10386.3 Ų86.353%0.52842%0.424SS..Hα-helixtrans-58.9-43.9177.8-66.2169.8000110.6I215 Y216 D222 R223I215-I219 HydrophobicContact CG2-CD1 3.79Å; I215-I219 HydrophobicContact CG2-CG1 4.42Å; I215-I219 WeakPolarHBondContact O-CG1 3.18Å; I215-I219 PolarHBondContact O-N 3.36Å; Y216-I219 PolarHBondContact O-N 3.1Å; I219-D222 PolarHBondContact O-N 2.79Å; I219-R223 VanDerWaalsContact O-CB 3.31Å; I219-R223 WeakPolarHBondContact O-CB 3.49Å; I219-R223 PolarHBondContact O-N 3.33Å
220K79.4Confident74.3Confident105 Ų10586.7 Ų86.746%0.45743%0.428SS..Hα-helixtrans-61.2-47.7176.3-176.1179.5172.4-176.10111.3Y216 H218 D222 R223 E224Y216-K220 HydrophobicContact CE1-CD 4.45Å; Y216-K220 WeakPolarHBondContact O-CB 3.27Å; Y216-K220 PolarHBondContact O-N 3.42Å; H218-K220 VanDerWaalsContact C-N 3.28Å; H218-K220 PolarHBondContact O-N 3.15Å; K220-D222 PolarHBondContact O-N 3.4Å; K220-R223 PolarHBondContact O-N 2.98Å; K220-E224 WeakPolarHBondContact CE-OE1 3.4Å; K220-E224 IonicContact NZ-OE1 3.94Å; K220-E224 WeakPolarHBondContact O-CG 3.38Å; K220-E224 PolarHBondContact O-N 3.2Å
221T77.6Confident74.8Confident50 Ų5087.6 Ų87.631%0.30743%0.427SS..Hα-helixtrans-63.5-41.9-179.6-54.40000111.9K217 H218 E224 K225K217-T221 WeakPolarHBondContact O-CB 3.38Å; K217-T221 PolarHBondContact O-N 2.83Å; K217-T221 PolarHBondContact O-OG1 3.42Å; H218-T221 PolarHBondContact O-N 3.03Å; H218-T221 VanDerWaalsContact O-N 3.15Å; T221-E224 PolarHBondContact O-N 2.74Å; T221-K225 HydrophobicContact CG2-CD 4.39Å; T221-K225 VanDerWaalsContact O-CG 3.31Å; T221-K225 WeakPolarHBondContact O-CG 3.33Å; T221-K225 PolarHBondContact O-N 3.35Å
222D77.3Confident74.8Confident79 Ų7993.8 Ų93.842%0.42246%0.455SS..Hα-helixtrans-70.3-35.3179.2-73.9-17.2000111.9H218 I219 K220 K225 A226H218-D222 WeakPolarHBondContact O-CB 3.32Å; H218-D222 PolarHBondContact O-N 3.23Å; I219-D222 PolarHBondContact O-N 2.79Å; K220-D222 PolarHBondContact O-N 3.4Å; D222-K225 PolarHBondContact O-N 3.2Å; D222-K225 IonicContact OD1-NZ 3.97Å; D222-A226 WeakPolarHBondContact O-CB 3.48Å; D222-A226 PolarHBondContact O-N 3.08Å
223R76.7Confident74.1Confident168 Ų16897 Ų9763%0.63446%0.46SS*.Hα-helixtrans-63.1-47.1171.6-178.1178.4173.2151.11.5111.6I219 K220 K225 A226 E227I219-R223 VanDerWaalsContact O-CB 3.31Å; I219-R223 WeakPolarHBondContact O-CB 3.49Å; I219-R223 PolarHBondContact O-N 3.33Å; K220-R223 PolarHBondContact O-N 2.98Å; R223-K225 VanDerWaalsContact C-N 3.31Å; R223-K225 PolarHBondContact O-N 3.32Å; R223-A226 PolarHBondContact O-N 2.99Å; R223-E227 IonicContact CZ-OE1 3.43Å; R223-E227 IonicContact NE-OE1 3.56Å; R223-E227 PolarHBondContact NE-OE1 3.23Å; R223-E227 IonicContact NH2-OE1 3.63Å; R223-E227 PolarHBondContact NH2-OE1 2.92Å; R223-E227 WeakPolarHBondContact O-CG 3.38Å; R223-E227 PolarHBondContact O-N 2.99Å
224E78.4Confident74Confident101 Ų10197.7 Ų97.747%0.47246%0.464SS..Hα-helixtrans-60.8-40.9176.7-74.1172.6177.500111.4K220 T221 E227 A228K220-E224 WeakPolarHBondContact CE-OE1 3.4Å; K220-E224 IonicContact NZ-OE1 3.94Å; K220-E224 WeakPolarHBondContact O-CG 3.38Å; K220-E224 PolarHBondContact O-N 3.2Å; T221-E224 PolarHBondContact O-N 2.74Å; E224-E227 PolarHBondContact O-N 3.39Å; E224-A228 WeakPolarHBondContact O-CB 3.07Å; E224-A228 PolarHBondContact O-N 3.45Å
225K73.2Confident73.8Confident123 Ų123102.3 Ų102.354%0.53549%0.493SS..Hα-helixtrans-63.4-43.5173.7-74.6172.2-177.6168.80112.4T221 D222 R223 A228 V229T221-K225 HydrophobicContact CG2-CD 4.39Å; T221-K225 VanDerWaalsContact O-CG 3.31Å; T221-K225 WeakPolarHBondContact O-CG 3.33Å; T221-K225 PolarHBondContact O-N 3.35Å; D222-K225 PolarHBondContact O-N 3.2Å; D222-K225 IonicContact OD1-NZ 3.97Å; R223-K225 VanDerWaalsContact C-N 3.31Å; R223-K225 PolarHBondContact O-N 3.32Å; K225-A228 PolarHBondContact O-N 3.15Å; K225-V229 WeakPolarHBondContact O-CG2 3.32Å; K225-V229 PolarHBondContact O-N 3.18Å
226A64Low73.5Confident55 Ų55103.6 Ų103.646%0.45550%0.503SS..Hα-helixtrans-62.7-43.6177.600000111.4D222 R223 V229 L230D222-A226 WeakPolarHBondContact O-CB 3.48Å; D222-A226 PolarHBondContact O-N 3.08Å; R223-A226 PolarHBondContact O-N 2.99Å; A226-V229 PolarHBondContact O-N 3.04Å; A226-L230 WeakPolarHBondContact O-CD1 3.35Å; A226-L230 PolarHBondContact O-N 2.96Å; A226-L230 VanDerWaalsContact O-N 3.12Å
227E79.7Confident72.9Confident94 Ų94102.8 Ų102.844%0.43950%0.504SS..Hα-helixtrans-65-36.8175.8-71.5175.9-172.800112R223 E224 L230 K231R223-E227 IonicContact CZ-OE1 3.43Å; R223-E227 IonicContact NE-OE1 3.56Å; R223-E227 PolarHBondContact NE-OE1 3.23Å; R223-E227 IonicContact NH2-OE1 3.63Å; R223-E227 PolarHBondContact NH2-OE1 2.92Å; R223-E227 WeakPolarHBondContact O-CG 3.38Å; R223-E227 PolarHBondContact O-N 2.99Å; E224-E227 PolarHBondContact O-N 3.39Å; E227-L230 PolarHBondContact O-N 2.82Å; E227-K231 PolarHBondContact O-N 3.39Å
228A76.3Confident72.5Confident50 Ų50100.5 Ų100.541%0.41351%0.505SS..Hα-helixtrans-65.3-43.4175.600000112.6E224 K225 L230 K231 E232E224-A228 WeakPolarHBondContact O-CB 3.07Å; E224-A228 PolarHBondContact O-N 3.45Å; K225-A228 PolarHBondContact O-N 3.15Å; A228-L230 VanDerWaalsContact C-N 3.31Å; A228-L230 PolarHBondContact O-N 3.32Å; A228-K231 PolarHBondContact O-N 3.04Å; A228-E232 PolarHBondContact O-N 3.25Å
229V68.5Low72Confident81 Ų81102.5 Ų102.549%0.49152%0.523SS..Hα-helixtrans-65.7-35.5177.2173.40000111.7K225 A226 R233K225-V229 WeakPolarHBondContact O-CG2 3.32Å; K225-V229 PolarHBondContact O-N 3.18Å; A226-V229 PolarHBondContact O-N 3.04Å; V229-R233 PolarHBondContact O-N 2.91Å
230L66.9Low71.3Confident105 Ų105105 Ų10555%0.5553%0.533SS..Hα-helixtrans-63.2-45.4172.9-85.8152.4000111.4A226 E227 A228 R233 E234A226-L230 WeakPolarHBondContact O-CD1 3.35Å; A226-L230 PolarHBondContact O-N 2.96Å; A226-L230 VanDerWaalsContact O-N 3.12Å; E227-L230 PolarHBondContact O-N 2.82Å; A228-L230 VanDerWaalsContact C-N 3.31Å; A228-L230 PolarHBondContact O-N 3.32Å; L230-R233 WeakPolarHBondContact O-CB 3.46Å; L230-R233 PolarHBondContact O-N 2.98Å; L230-E234 WeakPolarHBondContact O-CG 3.39Å; L230-E234 PolarHBondContact O-N 3.06Å
231K77.1Confident70.4Confident147 Ų147108.5 Ų108.564%0.63955%0.551SS**Hα-helixtrans-63.5-41.8175.3-83.1-176.4174.31800113.1E227 A228 R233 E234 V235E227-K231 PolarHBondContact O-N 3.39Å; A228-K231 PolarHBondContact O-N 3.04Å; K231-R233 VanDerWaalsContact C-N 3.29Å; K231-R233 PolarHBondContact O-N 3.39Å; K231-E234 PolarHBondContact O-N 3.32Å; K231-V235 WeakPolarHBondContact O-CG2 3.43Å; K231-V235 PolarHBondContact O-N 3.45Å
232E72.4Confident69.1Low137 Ų137116.2 Ų116.264%0.6459%0.59SS**Hα-helixtrans-61.7-39.2175-78.8-174.8164.400111.5A228 V235 V236A228-E232 PolarHBondContact O-N 3.25Å; E232-V235 PolarHBondContact O-N 3.2Å; E232-V236 VanDerWaalsContact O-CG2 3.27Å; E232-V236 WeakPolarHBondContact O-CG2 3.41Å; E232-V236 PolarHBondContact O-N 2.98Å
233R58.7Low68.7Low181 Ų181118.1 Ų118.168%0.68360%0.598SS**Hα-helixtrans-63.2-42.1174.1-87.7-176158.2-169.1-5.7113.1V229 L230 K231 V235 V236 Q237V229-R233 PolarHBondContact O-N 2.91Å; L230-R233 WeakPolarHBondContact O-CB 3.46Å; L230-R233 PolarHBondContact O-N 2.98Å; K231-R233 VanDerWaalsContact C-N 3.29Å; K231-R233 PolarHBondContact O-N 3.39Å; R233-V235 VanDerWaalsContact C-N 3.35Å; R233-V236 PolarHBondContact O-N 3.02Å; R233-Q237 WeakPolarHBondContact O-CB 3.26Å; R233-Q237 WeakPolarHBondContact O-CG 3.27Å; R233-Q237 PolarHBondContact O-N 3.06Å
234E71.5Confident68.3Low126 Ų126115.4 Ų115.459%0.58960%0.596SS**Hα-helixtrans-64.2-39.5176.6-72.1177166.500111.7L230 K231 Q237 A238L230-E234 WeakPolarHBondContact O-CG 3.39Å; L230-E234 PolarHBondContact O-N 3.06Å; K231-E234 PolarHBondContact O-N 3.32Å; E234-Q237 PolarHBondContact O-N 3.21Å; E234-A238 WeakPolarHBondContact O-CB 3.42Å; E234-A238 PolarHBondContact O-N 2.82Å
235V73.7Confident67.7Low101 Ų101116.2 Ų116.261%0.61260%0.603SS**Hα-helixtrans-66.7-42176.8173.50000111.5K231 E232 R233 A238 S239K231-V235 WeakPolarHBondContact O-CG2 3.43Å; K231-V235 PolarHBondContact O-N 3.45Å; E232-V235 PolarHBondContact O-N 3.2Å; R233-V235 VanDerWaalsContact C-N 3.35Å; V235-A238 PolarHBondContact O-N 2.97Å; V235-S239 PolarHBondContact O-N 3.19Å; V235-S239 PolarHBondContact O-OG 2.9Å
236V66.4Low67.4Low82 Ų82115.8 Ų115.850%0.49761%0.607SS.*Hα-helixtrans-66.1-40.3177.8172.70000111.2E232 R233 S239 E240E232-V236 VanDerWaalsContact O-CG2 3.27Å; E232-V236 WeakPolarHBondContact O-CG2 3.41Å; E232-V236 PolarHBondContact O-N 2.98Å; R233-V236 PolarHBondContact O-N 3.02Å; V236-S239 WeakPolarHBondContact CA-OG 3.42Å; V236-S239 PolarHBondContact O-N 3.08Å; V236-S239 PolarHBondContact O-OG 3.21Å; V236-E240 PolarHBondContact O-N 3.25Å
237Q62.8Low67.6Low128 Ų128119.6 Ų119.660%0.59862%0.617SS**Hα-helixtrans-65.2-38.4175.6-75.6-179.5-21.700112.6R233 E234 S239 E240R233-Q237 WeakPolarHBondContact O-CB 3.26Å; R233-Q237 WeakPolarHBondContact O-CG 3.27Å; R233-Q237 PolarHBondContact O-N 3.06Å; E234-Q237 PolarHBondContact O-N 3.21Å; Q237-S239 VanDerWaalsContact C-N 3.29Å; Q237-S239 PolarHBondContact O-N 2.98Å; Q237-E240 PolarHBondContact O-N 2.59Å
238A69.7Low66.8Low58 Ų58121.3 Ų121.348%0.47963%0.629SS.*Hα-helixtrans-66.6-29.8177.100000113E234 V235E234-A238 WeakPolarHBondContact O-CB 3.42Å; E234-A238 PolarHBondContact O-N 2.82Å; V235-A238 PolarHBondContact O-N 2.97Å
239S65.7Low66.1Low78 Ų78126.4 Ų126.455%0.54564%0.644SS.*Hα-helixtrans-81.8-10.1178.6550000115.1V235 V236 Q237V235-S239 PolarHBondContact O-N 3.19Å; V235-S239 PolarHBondContact O-OG 2.9Å; V236-S239 WeakPolarHBondContact CA-OG 3.42Å; V236-S239 PolarHBondContact O-N 3.08Å; V236-S239 PolarHBondContact O-OG 3.21Å; Q237-S239 VanDerWaalsContact C-N 3.29Å; Q237-S239 PolarHBondContact O-N 2.98Å
240E62Low65.9Low156 Ų156129.9 Ų129.973%0.72966%0.656SS**THydrogen-bonded Turntrans-92.7-9.2175.1-73.4-175.4155.500112.7V236 Q237V236-E240 PolarHBondContact O-N 3.25Å; Q237-E240 PolarHBondContact O-N 2.59Å
241E59.9Low65.9Low178 Ų178132 Ų13283%0.83267%0.665SS**  trans-99.6-4179.5-69.4-169.7158.500114.5
242D50.5Low64.8Low212 Ų212130.6 Ų130.6100%1.13467%0.667SS**  trans-99.30173.6-79.9-30.1000112.4

Retrieved 242 of 242 residues in 186.7 ms (Link to these results)

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